smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@@H]1CCOC1 ZINC000012434152 523150062 /nfs/dbraw/zinc/15/00/62/523150062.db2.gz BGNVXCYPKXXZCG-HXUWFJFHSA-N 2 1 425.577 2.646 50 0 IFAAMP C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@@H]1CCOC1 ZINC000012434152 523150073 /nfs/dbraw/zinc/15/00/73/523150073.db2.gz BGNVXCYPKXXZCG-HXUWFJFHSA-N 2 1 425.577 2.646 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585069 524448388 /nfs/dbraw/zinc/44/83/88/524448388.db2.gz JWAQVEQNJQXDRD-LJQANCHMSA-N 2 1 427.545 2.773 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C)n(C)n2)C1 ZINC000012708823 524449541 /nfs/dbraw/zinc/44/95/41/524449541.db2.gz YZUUUJWTDPIOEX-FQEVSTJZSA-N 2 1 427.593 2.653 50 0 IFAAMP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c(Cl)c1 ZINC000011753921 556348886 /nfs/dbraw/zinc/34/88/86/556348886.db2.gz YWZCYJMERSXEOY-UHFFFAOYSA-N 2 1 435.952 2.760 50 0 IFAAMP COC(=O)C1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012053014 556392858 /nfs/dbraw/zinc/39/28/58/556392858.db2.gz OEVIGGXVUBRPLC-QHCPKHFHSA-N 2 1 426.557 2.943 50 0 IFAAMP COc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014742186 556439044 /nfs/dbraw/zinc/43/90/44/556439044.db2.gz FPWJJEWNWZCBAM-VSKRKVRLSA-N 2 1 445.604 2.533 50 0 IFAAMP COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014742186 556439047 /nfs/dbraw/zinc/43/90/47/556439047.db2.gz FPWJJEWNWZCBAM-VSKRKVRLSA-N 2 1 445.604 2.533 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225587 556717080 /nfs/dbraw/zinc/71/70/80/556717080.db2.gz NFQSOHVIKVWLIU-OAQYLSRUSA-N 2 1 439.604 2.772 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225587 556717083 /nfs/dbraw/zinc/71/70/83/556717083.db2.gz NFQSOHVIKVWLIU-OAQYLSRUSA-N 2 1 439.604 2.772 50 0 IFAAMP Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048295 556744527 /nfs/dbraw/zinc/74/45/27/556744527.db2.gz LKKNXZLCYYIHNA-MRXNPFEDSA-N 2 1 430.622 2.746 50 0 IFAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CC3C4CC5CC(C4)CC3C5)cc2)CC1 ZINC000019789607 556914501 /nfs/dbraw/zinc/91/45/01/556914501.db2.gz VWOJONJYXGATPA-OWXPVBEESA-N 2 1 427.633 2.836 50 0 IFAAMP CCOCc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000019791298 556915214 /nfs/dbraw/zinc/91/52/14/556915214.db2.gz AUHAXFYKRALMLY-DEOSSOPVSA-N 2 1 433.637 2.973 50 0 IFAAMP CCOCc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000019791298 556915217 /nfs/dbraw/zinc/91/52/17/556915217.db2.gz AUHAXFYKRALMLY-DEOSSOPVSA-N 2 1 433.637 2.973 50 0 IFAAMP CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036256305 568984936 /nfs/dbraw/zinc/98/49/36/568984936.db2.gz WKVBUXGRDJJVEA-MIFWMJNYSA-N 2 1 440.632 2.861 50 0 IFAAMP CC(C)C(=O)N(CC[NH+](C)C)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312210 568997562 /nfs/dbraw/zinc/99/75/62/568997562.db2.gz PWUZIHQVMTXVCL-UHFFFAOYSA-N 2 1 431.556 2.779 50 0 IFAAMP Cn1cc(CC[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCc4ccccc4C3)c2)cn1 ZINC000019219447 569316487 /nfs/dbraw/zinc/31/64/87/569316487.db2.gz YNRAXCTXRJQRME-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019219447 569316488 /nfs/dbraw/zinc/31/64/88/569316488.db2.gz YNRAXCTXRJQRME-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019219447 569316489 /nfs/dbraw/zinc/31/64/89/569316489.db2.gz YNRAXCTXRJQRME-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1ccccc1OC ZINC000012314389 521653891 /nfs/dbraw/zinc/65/38/91/521653891.db2.gz DHRJOWZAHBWWSJ-QHCPKHFHSA-N 2 1 431.621 2.909 50 0 IFAAMP CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1 ZINC000012612742 523368782 /nfs/dbraw/zinc/36/87/82/523368782.db2.gz DNKXDWOTCGLAJN-UHFFFAOYSA-N 2 1 433.984 2.891 50 0 IFAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000020864981 523806323 /nfs/dbraw/zinc/80/63/23/523806323.db2.gz APTHAFFSSIFJGY-UHFFFAOYSA-N 2 1 449.584 2.649 50 0 IFAAMP C[C@@H](C1CC[NH+](Cc2c(C(=O)N3CCOCC3)nc3ccccn32)CC1)[NH+]1CCCC1 ZINC000012444371 524336537 /nfs/dbraw/zinc/33/65/37/524336537.db2.gz LKIPHKGVNFCSBI-IBGZPJMESA-N 2 1 425.577 2.503 50 0 IFAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000012434389 527420531 /nfs/dbraw/zinc/42/05/31/527420531.db2.gz NMYQWHTXORGRGE-IYBDPMFKSA-N 2 1 444.967 2.922 50 0 IFAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000011954361 556380664 /nfs/dbraw/zinc/38/06/64/556380664.db2.gz FDHVTAKBPGAKPR-NRFANRHFSA-N 2 1 430.545 2.845 50 0 IFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014542764 556426567 /nfs/dbraw/zinc/42/65/67/556426567.db2.gz UTCSSDYJODPHTL-FCHUYYIVSA-N 2 1 440.588 2.681 50 0 IFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 ZINC000014961393 556464228 /nfs/dbraw/zinc/46/42/28/556464228.db2.gz TTXRMXLUZCZXSI-OAQYLSRUSA-N 2 1 434.600 2.845 50 0 IFAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966760 556688707 /nfs/dbraw/zinc/68/87/07/556688707.db2.gz YLYCTLOSBIRFDM-JOCHJYFZSA-N 2 1 428.621 2.733 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019222125 556716099 /nfs/dbraw/zinc/71/60/99/556716099.db2.gz AJIZJTVBUGMEIZ-HXUWFJFHSA-N 2 1 439.604 2.629 50 0 IFAAMP CC[NH+](CC)[C@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000019226958 556717119 /nfs/dbraw/zinc/71/71/19/556717119.db2.gz NUQUDRQCOYTOHF-NRFANRHFSA-N 2 1 425.577 2.549 50 0 IFAAMP C[C@@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC[N@H+]1C ZINC000019636904 556835515 /nfs/dbraw/zinc/83/55/15/556835515.db2.gz BALURPGPSSVQFE-HXUWFJFHSA-N 2 1 438.620 2.561 50 0 IFAAMP COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000023339482 557085528 /nfs/dbraw/zinc/08/55/28/557085528.db2.gz DQBNKCOBUYZTIW-HSZRJFAPSA-N 2 1 438.572 2.633 50 0 IFAAMP COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000244574764 568915307 /nfs/dbraw/zinc/91/53/07/568915307.db2.gz CQYMCORJBNWMKB-VABKMULXSA-N 2 1 428.573 2.960 50 0 IFAAMP COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000244574763 568915382 /nfs/dbraw/zinc/91/53/82/568915382.db2.gz CQYMCORJBNWMKB-DNVJHFABSA-N 2 1 428.573 2.960 50 0 IFAAMP CC(=O)N1CCC[N@@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000012716153 519529673 /nfs/dbraw/zinc/52/96/73/519529673.db2.gz DZDQKNOKXJJBKY-VWLOTQADSA-N 2 1 437.584 2.539 50 0 IFAAMP CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000012716153 519529680 /nfs/dbraw/zinc/52/96/80/519529680.db2.gz DZDQKNOKXJJBKY-VWLOTQADSA-N 2 1 437.584 2.539 50 0 IFAAMP CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000012716153 519529688 /nfs/dbraw/zinc/52/96/88/519529688.db2.gz DZDQKNOKXJJBKY-VWLOTQADSA-N 2 1 437.584 2.539 50 0 IFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O ZINC000012466190 520976474 /nfs/dbraw/zinc/97/64/74/520976474.db2.gz KJGBGHUTICZXKS-UHFFFAOYSA-N 2 1 426.605 2.687 50 0 IFAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020599138 521370978 /nfs/dbraw/zinc/37/09/78/521370978.db2.gz OHJSXZSTPVUEED-HSZRJFAPSA-N 2 1 427.589 2.704 50 0 IFAAMP COc1cc(C[NH2+]CCc2nc3c(c(C)n2)CCC3)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012588355 522455132 /nfs/dbraw/zinc/45/51/32/522455132.db2.gz VSTNILBDRXZJMW-FQEVSTJZSA-N 2 1 442.604 2.695 50 0 IFAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCc3scnc3C)c2)CC1 ZINC000019224693 556716626 /nfs/dbraw/zinc/71/66/26/556716626.db2.gz MOKVIXGWJZQHNS-NRFANRHFSA-N 2 1 432.634 2.551 50 0 IFAAMP O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129019 556866154 /nfs/dbraw/zinc/86/61/54/556866154.db2.gz SGNBUITXZBDCBZ-UHFFFAOYSA-N 2 1 425.552 2.766 50 0 IFAAMP COc1ccc(CN(C)CCC[NH+](C)C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055073868 569286104 /nfs/dbraw/zinc/28/61/04/569286104.db2.gz IEHREFGSWHCIKG-HSZRJFAPSA-N 2 1 429.605 2.950 50 0 IFAAMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)cc2C)CC1 ZINC000057948782 569443368 /nfs/dbraw/zinc/44/33/68/569443368.db2.gz ZWZRGNJXHNNYFT-UHFFFAOYSA-N 2 1 435.616 2.893 50 0 IFAAMP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OCC(=O)N(C)C ZINC000021841796 520722600 /nfs/dbraw/zinc/72/26/00/520722600.db2.gz CXTWKFGJUWIWFL-UHFFFAOYSA-N 2 1 441.572 2.674 50 0 IFAAMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c2)o1 ZINC000012456959 521477474 /nfs/dbraw/zinc/47/74/74/521477474.db2.gz MEKKGRKCJIZLEH-SFHVURJKSA-N 2 1 434.533 2.836 50 0 IFAAMP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000020536394 521689360 /nfs/dbraw/zinc/68/93/60/521689360.db2.gz DSODQMIMHXMCIX-QHCPKHFHSA-N 2 1 427.589 2.704 50 0 IFAAMP COc1ccc(C[N@@H+](C)CCc2cn[nH]c2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012718992 524003967 /nfs/dbraw/zinc/00/39/67/524003967.db2.gz OYGMAXVDESXENU-QHCPKHFHSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccc(C[NH+](C)CCc2cn[nH]c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012718992 524003973 /nfs/dbraw/zinc/00/39/73/524003973.db2.gz OYGMAXVDESXENU-QHCPKHFHSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccc(C[NH+](C)CCc2cn[nH]c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012718992 524003979 /nfs/dbraw/zinc/00/39/79/524003979.db2.gz OYGMAXVDESXENU-QHCPKHFHSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCn2nccc2C)C1 ZINC000012432580 524449899 /nfs/dbraw/zinc/44/98/99/524449899.db2.gz FXTCDPRUQIMQKK-QFIPXVFZSA-N 2 1 441.620 2.893 50 0 IFAAMP O=c1[nH]nc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c2ccccc12 ZINC000011839212 556364180 /nfs/dbraw/zinc/36/41/80/556364180.db2.gz LHQDSLZEANSLSI-FQEVSTJZSA-N 2 1 436.556 2.829 50 0 IFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011936711 556378863 /nfs/dbraw/zinc/37/88/63/556378863.db2.gz ZKVTXUAVHQQRMM-GOSISDBHSA-N 2 1 427.568 2.954 50 0 IFAAMP COc1cc(C[N@@H+](C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012054620 556393499 /nfs/dbraw/zinc/39/34/99/556393499.db2.gz ZZKHXALLYALYOS-LJQANCHMSA-N 2 1 428.533 2.943 50 0 IFAAMP COc1cc(C[NH+](C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012054620 556393501 /nfs/dbraw/zinc/39/35/01/556393501.db2.gz ZZKHXALLYALYOS-LJQANCHMSA-N 2 1 428.533 2.943 50 0 IFAAMP COc1cc(C[NH+](C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012054620 556393503 /nfs/dbraw/zinc/39/35/03/556393503.db2.gz ZZKHXALLYALYOS-LJQANCHMSA-N 2 1 428.533 2.943 50 0 IFAAMP Cc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048268 556744273 /nfs/dbraw/zinc/74/42/73/556744273.db2.gz PCBAELGTGLARBN-UHFFFAOYSA-N 2 1 438.601 2.613 50 0 IFAAMP Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048288 556744343 /nfs/dbraw/zinc/74/43/43/556744343.db2.gz SIRHWODJWAANDP-UHFFFAOYSA-N 2 1 430.622 2.746 50 0 IFAAMP CCCC[N@@H+](CC)CCCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048259 556744455 /nfs/dbraw/zinc/74/44/55/556744455.db2.gz KMDMOXKJZIGOMN-UHFFFAOYSA-N 2 1 432.638 2.993 50 0 IFAAMP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000058289450 556777462 /nfs/dbraw/zinc/77/74/62/556777462.db2.gz YLVZGYXXFAYKBI-LJQANCHMSA-N 2 1 447.555 2.579 50 0 IFAAMP O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128872 556866077 /nfs/dbraw/zinc/86/60/77/556866077.db2.gz XPOKVIWPFOMMMP-FQEVSTJZSA-N 2 1 425.552 2.766 50 0 IFAAMP COc1ccccc1CC[NH2+]Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000011664465 557278167 /nfs/dbraw/zinc/27/81/67/557278167.db2.gz KQTLVHUVCHKGEM-UHFFFAOYSA-N 2 1 427.574 2.514 50 0 IFAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000299785341 568757400 /nfs/dbraw/zinc/75/74/00/568757400.db2.gz XZZZPFVGOVFFOZ-JOCHJYFZSA-N 2 1 437.588 2.852 50 0 IFAAMP C[NH+](C)CCCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC[N@@H+](C)C3 ZINC000002205522 569193063 /nfs/dbraw/zinc/19/30/63/569193063.db2.gz HDUMSGFZDKSKFC-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP C[NH+](C)CCCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC[N@H+](C)C3 ZINC000002205522 569193064 /nfs/dbraw/zinc/19/30/64/569193064.db2.gz HDUMSGFZDKSKFC-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP Cn1cc(CC[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCc4ccccc4C3)c2)cn1 ZINC000019219455 569316635 /nfs/dbraw/zinc/31/66/35/569316635.db2.gz YNRAXCTXRJQRME-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019219455 569316636 /nfs/dbraw/zinc/31/66/36/569316636.db2.gz YNRAXCTXRJQRME-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019219455 569316637 /nfs/dbraw/zinc/31/66/37/569316637.db2.gz YNRAXCTXRJQRME-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)CC1 ZINC000020598647 519670070 /nfs/dbraw/zinc/67/00/70/519670070.db2.gz LAGQPGVOIFPQRN-DEOSSOPVSA-N 2 1 425.621 2.829 50 0 IFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ncnc2ccccc21 ZINC000012581922 520977718 /nfs/dbraw/zinc/97/77/18/520977718.db2.gz ZEALMKQWMRHHAS-UHFFFAOYSA-N 2 1 425.577 2.663 50 0 IFAAMP COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012718382 522447136 /nfs/dbraw/zinc/44/71/36/522447136.db2.gz HSHSTRRFBKCGHO-JOCHJYFZSA-N 2 1 447.620 2.802 50 0 IFAAMP COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012704576 522448571 /nfs/dbraw/zinc/44/85/71/522448571.db2.gz ZGPRANIPTWEGOJ-HSZRJFAPSA-N 2 1 449.636 2.511 50 0 IFAAMP COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012594102 522456150 /nfs/dbraw/zinc/45/61/50/522456150.db2.gz CTFCVCCVGKRRCW-JOCHJYFZSA-N 2 1 428.577 2.822 50 0 IFAAMP C[NH+]1CCN(c2nnc(-n3cccc3CN3CCC([NH+]4CCCCC4)CC3)s2)CC1 ZINC000021880788 523930745 /nfs/dbraw/zinc/93/07/45/523930745.db2.gz SQJLWDVVHSEYSI-UHFFFAOYSA-N 2 1 429.638 2.531 50 0 IFAAMP COc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012836196 524004729 /nfs/dbraw/zinc/00/47/29/524004729.db2.gz SMAWQUTWWUTXFA-JOCHJYFZSA-N 2 1 430.593 2.866 50 0 IFAAMP COc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014742187 524041266 /nfs/dbraw/zinc/04/12/66/524041266.db2.gz FPWJJEWNWZCBAM-YPAWHYETSA-N 2 1 445.604 2.533 50 0 IFAAMP COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014742187 524041268 /nfs/dbraw/zinc/04/12/68/524041268.db2.gz FPWJJEWNWZCBAM-YPAWHYETSA-N 2 1 445.604 2.533 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000022913036 524072638 /nfs/dbraw/zinc/07/26/38/524072638.db2.gz HSNAOYLGXQTMBQ-FQEVSTJZSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000022913036 524072640 /nfs/dbraw/zinc/07/26/40/524072640.db2.gz HSNAOYLGXQTMBQ-FQEVSTJZSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000022913036 524072642 /nfs/dbraw/zinc/07/26/42/524072642.db2.gz HSNAOYLGXQTMBQ-FQEVSTJZSA-N 2 1 449.542 2.640 50 0 IFAAMP Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC[C@@H]4CCC[N@@H+]4C)CC3)CC2)n1 ZINC000020905895 524387393 /nfs/dbraw/zinc/38/73/93/524387393.db2.gz NCEUUANALUCZTM-QHCPKHFHSA-N 2 1 427.637 2.667 50 0 IFAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000012455502 524972443 /nfs/dbraw/zinc/97/24/43/524972443.db2.gz LNZLVUOBUIMFHK-JOCHJYFZSA-N 2 1 432.536 2.663 50 0 IFAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000012455502 524972455 /nfs/dbraw/zinc/97/24/55/524972455.db2.gz LNZLVUOBUIMFHK-JOCHJYFZSA-N 2 1 432.536 2.663 50 0 IFAAMP C[C@H](C1CC[NH+](Cc2c(C(=O)N3CCOCC3)nc3ccccn32)CC1)[NH+]1CCCC1 ZINC000012444373 526217067 /nfs/dbraw/zinc/21/70/67/526217067.db2.gz LKIPHKGVNFCSBI-LJQANCHMSA-N 2 1 425.577 2.503 50 0 IFAAMP O=C(c1cn([C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990946 556475063 /nfs/dbraw/zinc/47/50/63/556475063.db2.gz KDXYJWDBCVIYHJ-QHCPKHFHSA-N 2 1 436.604 2.858 50 0 IFAAMP O=C(c1cn([C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990946 556475065 /nfs/dbraw/zinc/47/50/65/556475065.db2.gz KDXYJWDBCVIYHJ-QHCPKHFHSA-N 2 1 436.604 2.858 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225584 556716749 /nfs/dbraw/zinc/71/67/49/556716749.db2.gz NFQSOHVIKVWLIU-NRFANRHFSA-N 2 1 439.604 2.772 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225584 556716750 /nfs/dbraw/zinc/71/67/50/556716750.db2.gz NFQSOHVIKVWLIU-NRFANRHFSA-N 2 1 439.604 2.772 50 0 IFAAMP CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000058170349 556768011 /nfs/dbraw/zinc/76/80/11/556768011.db2.gz WWGWTZRJEKKJSU-QFIPXVFZSA-N 2 1 435.616 2.973 50 0 IFAAMP COc1ccccc1N1CCC([N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019884635 556938329 /nfs/dbraw/zinc/93/83/29/556938329.db2.gz HMLKNXUOYRMQSQ-DEOSSOPVSA-N 2 1 444.664 2.905 50 0 IFAAMP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3CSCCSC3)CC2)CC1 ZINC000023338917 557085138 /nfs/dbraw/zinc/08/51/38/557085138.db2.gz APAKCHDSPVMKRA-UHFFFAOYSA-N 2 1 434.675 2.723 50 0 IFAAMP Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)C[C@@H]4CCC[N@@H+](C)C4)CC3)CC2)n1 ZINC000097436857 568619011 /nfs/dbraw/zinc/61/90/11/568619011.db2.gz NZOPIXMXYYFDNV-JOCHJYFZSA-N 2 1 441.664 2.867 50 0 IFAAMP Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)C[C@H]4CCC[N@@H+](C)C4)CC3)CC2)n1 ZINC000097436858 568619081 /nfs/dbraw/zinc/61/90/81/568619081.db2.gz NZOPIXMXYYFDNV-QFIPXVFZSA-N 2 1 441.664 2.867 50 0 IFAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000299785343 568757543 /nfs/dbraw/zinc/75/75/43/568757543.db2.gz XZZZPFVGOVFFOZ-QFIPXVFZSA-N 2 1 437.588 2.852 50 0 IFAAMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000095423242 569365666 /nfs/dbraw/zinc/36/56/66/569365666.db2.gz JLNKKWHKPFMREN-UHFFFAOYSA-N 2 1 439.556 2.983 50 0 IFAAMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000095423242 569365668 /nfs/dbraw/zinc/36/56/68/569365668.db2.gz JLNKKWHKPFMREN-UHFFFAOYSA-N 2 1 439.556 2.983 50 0 IFAAMP O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000095983697 569378089 /nfs/dbraw/zinc/37/80/89/569378089.db2.gz RFXLLQKMKAYUFO-UHFFFAOYSA-N 2 1 433.540 2.687 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000022913042 524072898 /nfs/dbraw/zinc/07/28/98/524072898.db2.gz HSNAOYLGXQTMBQ-HXUWFJFHSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000022913042 524072899 /nfs/dbraw/zinc/07/28/99/524072899.db2.gz HSNAOYLGXQTMBQ-HXUWFJFHSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000022913042 524072900 /nfs/dbraw/zinc/07/29/00/524072900.db2.gz HSNAOYLGXQTMBQ-HXUWFJFHSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCn2nccc2C)C1 ZINC000012432579 524449393 /nfs/dbraw/zinc/44/93/93/524449393.db2.gz FXTCDPRUQIMQKK-JOCHJYFZSA-N 2 1 441.620 2.893 50 0 IFAAMP Cc1cc(C)n(C[C@@H](C)[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 ZINC000011820460 556362550 /nfs/dbraw/zinc/36/25/50/556362550.db2.gz UTUPLQGFCDYWJN-OAQYLSRUSA-N 2 1 438.620 2.776 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCn2cccn2)C1 ZINC000012056999 556394458 /nfs/dbraw/zinc/39/44/58/556394458.db2.gz QSEKVDIDWGHAKC-OAQYLSRUSA-N 2 1 427.593 2.584 50 0 IFAAMP CC[NH+]1CCC([NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000015073320 556497386 /nfs/dbraw/zinc/49/73/86/556497386.db2.gz WGLKWQWGRKCITB-UHFFFAOYSA-N 2 1 425.533 2.985 50 0 IFAAMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000019226954 556717033 /nfs/dbraw/zinc/71/70/33/556717033.db2.gz NUQUDRQCOYTOHF-OAQYLSRUSA-N 2 1 425.577 2.549 50 0 IFAAMP Cc1c(C(=O)N2CCC([N@H+](C)C(C)C)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048306 556744308 /nfs/dbraw/zinc/74/43/08/556744308.db2.gz HYVDUWIMRPTZCH-UHFFFAOYSA-N 2 1 430.622 2.696 50 0 IFAAMP Cc1nc(CC[NH2+]Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)sc1C ZINC000019635018 556834702 /nfs/dbraw/zinc/83/47/02/556834702.db2.gz VCVDSXCPKJNTOF-UHFFFAOYSA-N 2 1 432.619 2.579 50 0 IFAAMP COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000023339480 557085726 /nfs/dbraw/zinc/08/57/26/557085726.db2.gz DQBNKCOBUYZTIW-QHCPKHFHSA-N 2 1 438.572 2.633 50 0 IFAAMP O=C1C[C@@H](NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000102405664 557301566 /nfs/dbraw/zinc/30/15/66/557301566.db2.gz INGHCKPFBGOOPN-OAQYLSRUSA-N 2 1 444.938 2.913 50 0 IFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1ccccc1OC ZINC000012314388 521632678 /nfs/dbraw/zinc/63/26/78/521632678.db2.gz DHRJOWZAHBWWSJ-HSZRJFAPSA-N 2 1 431.621 2.909 50 0 IFAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000020541311 522985830 /nfs/dbraw/zinc/98/58/30/522985830.db2.gz NICZQQRMYXZQRF-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000020541311 522985842 /nfs/dbraw/zinc/98/58/42/522985842.db2.gz NICZQQRMYXZQRF-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000020541311 522985854 /nfs/dbraw/zinc/98/58/54/522985854.db2.gz NICZQQRMYXZQRF-RUZDIDTESA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)C4CC[NH+](C)CC4)CC3)cc2)cn1 ZINC000012454818 523514171 /nfs/dbraw/zinc/51/41/71/523514171.db2.gz QNIUFPFXKIEFFG-UHFFFAOYSA-N 2 1 439.604 2.764 50 0 IFAAMP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000012201029 524053414 /nfs/dbraw/zinc/05/34/14/524053414.db2.gz HOOILTKWHQAEJZ-VWLOTQADSA-N 3 1 440.676 2.988 50 0 IFAAMP COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020999364 524072306 /nfs/dbraw/zinc/07/23/06/524072306.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585077 524448929 /nfs/dbraw/zinc/44/89/29/524448929.db2.gz JWAQVEQNJQXDRD-IBGZPJMESA-N 2 1 427.545 2.773 50 0 IFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000011878585 556371380 /nfs/dbraw/zinc/37/13/80/556371380.db2.gz PLZYMSMVZVZVRX-UHFFFAOYSA-N 2 1 433.593 2.981 50 0 IFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1COc2c(cccc2OC)C1 ZINC000011932867 556376490 /nfs/dbraw/zinc/37/64/90/556376490.db2.gz OSVWEVAFMBQPMS-OAQYLSRUSA-N 2 1 429.605 2.901 50 0 IFAAMP COc1cc(C[N@@H+](C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012054617 556393545 /nfs/dbraw/zinc/39/35/45/556393545.db2.gz ZZKHXALLYALYOS-IBGZPJMESA-N 2 1 428.533 2.943 50 0 IFAAMP COc1cc(C[NH+](C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012054617 556393546 /nfs/dbraw/zinc/39/35/46/556393546.db2.gz ZZKHXALLYALYOS-IBGZPJMESA-N 2 1 428.533 2.943 50 0 IFAAMP COc1cc(C[NH+](C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012054617 556393549 /nfs/dbraw/zinc/39/35/49/556393549.db2.gz ZZKHXALLYALYOS-IBGZPJMESA-N 2 1 428.533 2.943 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCn2cccn2)C1 ZINC000012057000 556394509 /nfs/dbraw/zinc/39/45/09/556394509.db2.gz QSEKVDIDWGHAKC-NRFANRHFSA-N 2 1 427.593 2.584 50 0 IFAAMP C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014747068 556441429 /nfs/dbraw/zinc/44/14/29/556441429.db2.gz MZGCPPJLCDHXSP-VQTJNVASSA-N 2 1 426.536 2.580 50 0 IFAAMP CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1)[NH+]1CCOCC1 ZINC000058265333 556776479 /nfs/dbraw/zinc/77/64/79/556776479.db2.gz BEFQYKLDDXKGGU-HXUWFJFHSA-N 2 1 435.588 2.836 50 0 IFAAMP CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1)[NH+]1CCOCC1 ZINC000058265333 556776483 /nfs/dbraw/zinc/77/64/83/556776483.db2.gz BEFQYKLDDXKGGU-HXUWFJFHSA-N 2 1 435.588 2.836 50 0 IFAAMP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000058289449 556777552 /nfs/dbraw/zinc/77/75/52/556777552.db2.gz YLVZGYXXFAYKBI-IBGZPJMESA-N 2 1 447.555 2.579 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)CC1 ZINC000022913868 519670245 /nfs/dbraw/zinc/67/02/45/519670245.db2.gz RDFIFFDQLWHNHH-QHCPKHFHSA-N 2 1 429.584 2.957 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)CC1 ZINC000022913868 519670246 /nfs/dbraw/zinc/67/02/46/519670246.db2.gz RDFIFFDQLWHNHH-QHCPKHFHSA-N 2 1 429.584 2.957 50 0 IFAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012750599 522372693 /nfs/dbraw/zinc/37/26/93/522372693.db2.gz PFKNGVKVHKVLES-QHCPKHFHSA-N 2 1 447.620 2.755 50 0 IFAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012750599 522372703 /nfs/dbraw/zinc/37/27/03/522372703.db2.gz PFKNGVKVHKVLES-QHCPKHFHSA-N 2 1 447.620 2.755 50 0 IFAAMP COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012704569 522447998 /nfs/dbraw/zinc/44/79/98/522447998.db2.gz ZGPRANIPTWEGOJ-QHCPKHFHSA-N 2 1 449.636 2.511 50 0 IFAAMP COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012304377 524008295 /nfs/dbraw/zinc/00/82/95/524008295.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012304377 524008297 /nfs/dbraw/zinc/00/82/97/524008297.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[NH+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012304377 524008301 /nfs/dbraw/zinc/00/83/01/524008301.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[NH+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012304377 524008305 /nfs/dbraw/zinc/00/83/05/524008305.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 2 1 438.572 2.932 50 0 IFAAMP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000012201023 524053502 /nfs/dbraw/zinc/05/35/02/524053502.db2.gz HOOILTKWHQAEJZ-RUZDIDTESA-N 3 1 440.676 2.988 50 0 IFAAMP Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC[C@H]4CCC[N@@H+]4C)CC3)CC2)n1 ZINC000020905892 524386247 /nfs/dbraw/zinc/38/62/47/524386247.db2.gz NCEUUANALUCZTM-HSZRJFAPSA-N 2 1 427.637 2.667 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2=C(C)OCCO2)C1 ZINC000012594093 524448048 /nfs/dbraw/zinc/44/80/48/524448048.db2.gz KBSHPOPFJGYKRQ-HXUWFJFHSA-N 2 1 431.577 2.576 50 0 IFAAMP Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012386260 524501587 /nfs/dbraw/zinc/50/15/87/524501587.db2.gz YCZHCZHQLUGDBL-NRFANRHFSA-N 2 1 429.584 2.941 50 0 IFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1COc2c(cccc2OC)C1 ZINC000011932866 556376429 /nfs/dbraw/zinc/37/64/29/556376429.db2.gz OSVWEVAFMBQPMS-NRFANRHFSA-N 2 1 429.605 2.901 50 0 IFAAMP COC(=O)C1CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012053017 556392799 /nfs/dbraw/zinc/39/27/99/556392799.db2.gz OEVIGGXVUBRPLC-HSZRJFAPSA-N 2 1 426.557 2.943 50 0 IFAAMP Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)N4CCN(C5CC[NH+](C)CC5)CC4)n3C)C2)cc1 ZINC000065210935 556419773 /nfs/dbraw/zinc/41/97/73/556419773.db2.gz VJPNLFCDAZDFIE-UHFFFAOYSA-N 2 1 449.643 2.744 50 0 IFAAMP Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)N4CCN(C5CC[NH+](C)CC5)CC4)n3C)C2)cc1 ZINC000065210935 556419776 /nfs/dbraw/zinc/41/97/76/556419776.db2.gz VJPNLFCDAZDFIE-UHFFFAOYSA-N 2 1 449.643 2.744 50 0 IFAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000020211385 556998666 /nfs/dbraw/zinc/99/86/66/556998666.db2.gz PECNFCSSJSAMGW-HXUWFJFHSA-N 2 1 439.585 2.577 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000023373102 557351764 /nfs/dbraw/zinc/35/17/64/557351764.db2.gz SHSHEEHIFINXOD-QFIPXVFZSA-N 2 1 445.579 2.810 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000023373102 557351765 /nfs/dbraw/zinc/35/17/65/557351765.db2.gz SHSHEEHIFINXOD-QFIPXVFZSA-N 2 1 445.579 2.810 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000023373102 557351768 /nfs/dbraw/zinc/35/17/68/557351768.db2.gz SHSHEEHIFINXOD-QFIPXVFZSA-N 2 1 445.579 2.810 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000104645267 568837038 /nfs/dbraw/zinc/83/70/38/568837038.db2.gz CACBTUJUOPDWNL-HSZRJFAPSA-N 2 1 429.584 2.957 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000104645267 568837040 /nfs/dbraw/zinc/83/70/40/568837040.db2.gz CACBTUJUOPDWNL-HSZRJFAPSA-N 2 1 429.584 2.957 50 0 IFAAMP C[NH+](C)CCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CC[N@@H+](C)C3 ZINC000002328240 569274452 /nfs/dbraw/zinc/27/44/52/569274452.db2.gz GHUIIRLVNBZCDQ-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP C[NH+](C)CCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CC[N@H+](C)C3 ZINC000002328240 569274453 /nfs/dbraw/zinc/27/44/53/569274453.db2.gz GHUIIRLVNBZCDQ-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP COc1ccc(CN(C)CCC[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055073871 569286135 /nfs/dbraw/zinc/28/61/35/569286135.db2.gz IEHREFGSWHCIKG-QHCPKHFHSA-N 2 1 429.605 2.950 50 0 IFAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020599137 521370374 /nfs/dbraw/zinc/37/03/74/521370374.db2.gz OHJSXZSTPVUEED-QHCPKHFHSA-N 2 1 427.589 2.704 50 0 IFAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012750604 522375551 /nfs/dbraw/zinc/37/55/51/522375551.db2.gz PFKNGVKVHKVLES-HSZRJFAPSA-N 2 1 447.620 2.755 50 0 IFAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012750604 522375562 /nfs/dbraw/zinc/37/55/62/522375562.db2.gz PFKNGVKVHKVLES-HSZRJFAPSA-N 2 1 447.620 2.755 50 0 IFAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012439343 522916054 /nfs/dbraw/zinc/91/60/54/522916054.db2.gz LWUFDPUATYKFCD-HSZRJFAPSA-N 2 1 426.557 2.943 50 0 IFAAMP COc1ccc(C[N@@H+](C)CCc2cn[nH]c2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012718993 524004485 /nfs/dbraw/zinc/00/44/85/524004485.db2.gz OYGMAXVDESXENU-HSZRJFAPSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccc(C[NH+](C)CCc2cn[nH]c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012718993 524004494 /nfs/dbraw/zinc/00/44/94/524004494.db2.gz OYGMAXVDESXENU-HSZRJFAPSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccc(C[NH+](C)CCc2cn[nH]c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012718993 524004498 /nfs/dbraw/zinc/00/44/98/524004498.db2.gz OYGMAXVDESXENU-HSZRJFAPSA-N 2 1 438.572 2.965 50 0 IFAAMP COc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012836193 524004829 /nfs/dbraw/zinc/00/48/29/524004829.db2.gz SMAWQUTWWUTXFA-QFIPXVFZSA-N 2 1 430.593 2.866 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2=C(C)OCCO2)C1 ZINC000012594099 524449114 /nfs/dbraw/zinc/44/91/14/524449114.db2.gz KBSHPOPFJGYKRQ-FQEVSTJZSA-N 2 1 431.577 2.576 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C)n(C)n2)C1 ZINC000012708815 524449724 /nfs/dbraw/zinc/44/97/24/524449724.db2.gz YZUUUJWTDPIOEX-HXUWFJFHSA-N 2 1 427.593 2.653 50 0 IFAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000012570436 524926850 /nfs/dbraw/zinc/92/68/50/524926850.db2.gz WHXTXDLDWMZZOQ-UHFFFAOYSA-N 2 1 445.604 2.933 50 0 IFAAMP Cc1cc(C)n(C[C@H](C)[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 ZINC000011820459 556362530 /nfs/dbraw/zinc/36/25/30/556362530.db2.gz UTUPLQGFCDYWJN-NRFANRHFSA-N 2 1 438.620 2.776 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCc2cnn(C)c2)C1 ZINC000011874002 556370378 /nfs/dbraw/zinc/37/03/78/556370378.db2.gz UYKNJNRULGNVQO-JOCHJYFZSA-N 2 1 441.620 2.664 50 0 IFAAMP O=C(c1cn([C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990943 556475098 /nfs/dbraw/zinc/47/50/98/556475098.db2.gz KDXYJWDBCVIYHJ-HSZRJFAPSA-N 2 1 436.604 2.858 50 0 IFAAMP O=C(c1cn([C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990943 556475101 /nfs/dbraw/zinc/47/51/01/556475101.db2.gz KDXYJWDBCVIYHJ-HSZRJFAPSA-N 2 1 436.604 2.858 50 0 IFAAMP COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019223823 556716287 /nfs/dbraw/zinc/71/62/87/556716287.db2.gz FMFWUPFIOPZQMB-QHCPKHFHSA-N 2 1 427.589 2.623 50 0 IFAAMP CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000058170350 556768038 /nfs/dbraw/zinc/76/80/38/556768038.db2.gz WWGWTZRJEKKJSU-JOCHJYFZSA-N 2 1 435.616 2.973 50 0 IFAAMP C[C@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC[N@H+]1C ZINC000019636907 556835528 /nfs/dbraw/zinc/83/55/28/556835528.db2.gz BALURPGPSSVQFE-FQEVSTJZSA-N 2 1 438.620 2.561 50 0 IFAAMP O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128871 556866137 /nfs/dbraw/zinc/86/61/37/556866137.db2.gz XPOKVIWPFOMMMP-HXUWFJFHSA-N 2 1 425.552 2.766 50 0 IFAAMP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741230 556882731 /nfs/dbraw/zinc/88/27/31/556882731.db2.gz HQJRMAAGEQIJPA-XMMPIXPASA-N 2 1 441.616 2.747 50 0 IFAAMP CC[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CC[NH+](C)C)C1 ZINC000002434908 569303636 /nfs/dbraw/zinc/30/36/36/569303636.db2.gz QSCMYERFZPSJJZ-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP CC[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CC[NH+](C)C)C1 ZINC000002434908 569303638 /nfs/dbraw/zinc/30/36/38/569303638.db2.gz QSCMYERFZPSJJZ-UHFFFAOYSA-N 2 1 432.977 2.807 50 0 IFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C3)CC1 ZINC000008608705 132287839 /nfs/dbraw/zinc/28/78/39/132287839.db2.gz DQADECKTPQQHHY-UHFFFAOYSA-N 2 1 441.576 2.593 50 0 IFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C3)CC1 ZINC000008608705 132287841 /nfs/dbraw/zinc/28/78/41/132287841.db2.gz DQADECKTPQQHHY-UHFFFAOYSA-N 2 1 441.576 2.593 50 0 IFAAMP CCOc1cc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C)CC3)s2)ccc1OC ZINC000021531673 520724450 /nfs/dbraw/zinc/72/44/50/520724450.db2.gz NPLVOWLLWOICRN-UHFFFAOYSA-N 2 1 442.589 2.778 50 0 IFAAMP COc1cc(C[NH+]2CCC(CCNC(C)=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012298695 522368046 /nfs/dbraw/zinc/36/80/46/522368046.db2.gz CPCCQHKRKCDYOA-QFIPXVFZSA-N 2 1 435.609 2.513 50 0 IFAAMP COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012594098 522456191 /nfs/dbraw/zinc/45/61/91/522456191.db2.gz CTFCVCCVGKRRCW-QFIPXVFZSA-N 2 1 428.577 2.822 50 0 IFAAMP Cn1cc(CC[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000020541308 522984178 /nfs/dbraw/zinc/98/41/78/522984178.db2.gz NICZQQRMYXZQRF-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000020541308 522984191 /nfs/dbraw/zinc/98/41/91/522984191.db2.gz NICZQQRMYXZQRF-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP Cn1cc(CC[NH+](C)Cc2ccccc2OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000020541308 522984202 /nfs/dbraw/zinc/98/42/02/522984202.db2.gz NICZQQRMYXZQRF-VWLOTQADSA-N 2 1 434.584 2.893 50 0 IFAAMP COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020539447 524070808 /nfs/dbraw/zinc/07/08/08/524070808.db2.gz KYICKYOTQGWMLK-JOCHJYFZSA-N 2 1 448.007 2.668 50 0 IFAAMP COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000022852409 524072751 /nfs/dbraw/zinc/07/27/51/524072751.db2.gz KCUJRIPOACUEHD-QFIPXVFZSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000022852409 524072752 /nfs/dbraw/zinc/07/27/52/524072752.db2.gz KCUJRIPOACUEHD-QFIPXVFZSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000022852409 524072754 /nfs/dbraw/zinc/07/27/54/524072754.db2.gz KCUJRIPOACUEHD-QFIPXVFZSA-N 2 1 449.542 2.640 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000015064653 556492101 /nfs/dbraw/zinc/49/21/01/556492101.db2.gz JCKRCDMWSSZEGE-OAQYLSRUSA-N 3 1 430.637 2.639 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000015064654 556492159 /nfs/dbraw/zinc/49/21/59/556492159.db2.gz JCKRCDMWSSZEGE-NRFANRHFSA-N 3 1 430.637 2.639 50 0 IFAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015070258 556495272 /nfs/dbraw/zinc/49/52/72/556495272.db2.gz SSFOGFHGCHOPNK-HSZRJFAPSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015070258 556495273 /nfs/dbraw/zinc/49/52/73/556495273.db2.gz SSFOGFHGCHOPNK-HSZRJFAPSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015070258 556495275 /nfs/dbraw/zinc/49/52/75/556495275.db2.gz SSFOGFHGCHOPNK-HSZRJFAPSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015070258 556495276 /nfs/dbraw/zinc/49/52/76/556495276.db2.gz SSFOGFHGCHOPNK-HSZRJFAPSA-N 2 1 447.620 2.754 50 0 IFAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966763 556689039 /nfs/dbraw/zinc/68/90/39/556689039.db2.gz YLYCTLOSBIRFDM-QFIPXVFZSA-N 2 1 428.621 2.733 50 0 IFAAMP Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048296 556744498 /nfs/dbraw/zinc/74/44/98/556744498.db2.gz LKKNXZLCYYIHNA-INIZCTEOSA-N 2 1 430.622 2.746 50 0 IFAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632425 557754546 /nfs/dbraw/zinc/75/45/46/557754546.db2.gz CDEBJPITIWHFOU-IRLDBZIGSA-N 2 1 446.592 2.691 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)CC1 ZINC000104633817 568837424 /nfs/dbraw/zinc/83/74/24/568837424.db2.gz RDFIFFDQLWHNHH-HSZRJFAPSA-N 2 1 429.584 2.957 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)CC1 ZINC000104633817 568837425 /nfs/dbraw/zinc/83/74/25/568837425.db2.gz RDFIFFDQLWHNHH-HSZRJFAPSA-N 2 1 429.584 2.957 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000095945441 569375966 /nfs/dbraw/zinc/37/59/66/569375966.db2.gz ZSWVYSLTRKUOJU-VEXUSMLFSA-N 2 1 441.597 2.568 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000095945441 569375967 /nfs/dbraw/zinc/37/59/67/569375967.db2.gz ZSWVYSLTRKUOJU-VEXUSMLFSA-N 2 1 441.597 2.568 50 0 IFAAMP O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009585429 569549579 /nfs/dbraw/zinc/54/95/79/569549579.db2.gz VVXWODHUSXXMIP-UHFFFAOYSA-N 2 1 440.632 2.882 50 0 IFAAMP CCOC(=O)c1n[nH]cc1C[N@H+](CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012446830 521595457 /nfs/dbraw/zinc/59/54/57/521595457.db2.gz YYFAJEMJOXGGMM-UHFFFAOYSA-N 2 1 444.576 2.956 50 0 IFAAMP CCOC(=O)c1n[nH]cc1C[N@@H+](CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012446830 521595459 /nfs/dbraw/zinc/59/54/59/521595459.db2.gz YYFAJEMJOXGGMM-UHFFFAOYSA-N 2 1 444.576 2.956 50 0 IFAAMP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000020536397 521689205 /nfs/dbraw/zinc/68/92/05/521689205.db2.gz DSODQMIMHXMCIX-HSZRJFAPSA-N 2 1 427.589 2.704 50 0 IFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCc2cnn(C)c2)C1 ZINC000011874003 556370364 /nfs/dbraw/zinc/37/03/64/556370364.db2.gz UYKNJNRULGNVQO-QFIPXVFZSA-N 2 1 441.620 2.664 50 0 IFAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720886 556647170 /nfs/dbraw/zinc/64/71/70/556647170.db2.gz ZQNXUHRFEKZLSI-UHFFFAOYSA-N 2 1 435.952 2.736 50 0 IFAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CC3C4CC5CC(C4)CC3C5)cc2)CC1 ZINC000019789605 556914517 /nfs/dbraw/zinc/91/45/17/556914517.db2.gz VWOJONJYXGATPA-ZXNQMKFVSA-N 2 1 427.633 2.836 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000023374875 568613615 /nfs/dbraw/zinc/61/36/15/568613615.db2.gz CACBTUJUOPDWNL-QHCPKHFHSA-N 2 1 429.584 2.957 50 0 IFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000023374875 568613617 /nfs/dbraw/zinc/61/36/17/568613617.db2.gz CACBTUJUOPDWNL-QHCPKHFHSA-N 2 1 429.584 2.957 50 0 IFAAMP COc1ccccc1N1CCC([N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000104638908 568837088 /nfs/dbraw/zinc/83/70/88/568837088.db2.gz HMLKNXUOYRMQSQ-XMMPIXPASA-N 2 1 444.664 2.905 50 0 IFAAMP CCN(CC)[C@@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735390 568886901 /nfs/dbraw/zinc/88/69/01/568886901.db2.gz WHNLKQQFOAPZBF-UXHICEINSA-N 2 1 442.608 2.976 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000230251643 569440572 /nfs/dbraw/zinc/44/05/72/569440572.db2.gz ZSWVYSLTRKUOJU-WUMKDDEVSA-N 2 1 441.597 2.568 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000230251643 569440573 /nfs/dbraw/zinc/44/05/73/569440573.db2.gz ZSWVYSLTRKUOJU-WUMKDDEVSA-N 2 1 441.597 2.568 50 0 IFAAMP Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012386259 524502092 /nfs/dbraw/zinc/50/20/92/524502092.db2.gz YCZHCZHQLUGDBL-OAQYLSRUSA-N 2 1 429.584 2.941 50 0 IFAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000012455499 524968535 /nfs/dbraw/zinc/96/85/35/524968535.db2.gz LNZLVUOBUIMFHK-QFIPXVFZSA-N 2 1 432.536 2.663 50 0 IFAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000012455499 524968547 /nfs/dbraw/zinc/96/85/47/524968547.db2.gz LNZLVUOBUIMFHK-QFIPXVFZSA-N 2 1 432.536 2.663 50 0 IFAAMP O=c1[nH]nc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c2ccccc12 ZINC000011839210 556364139 /nfs/dbraw/zinc/36/41/39/556364139.db2.gz LHQDSLZEANSLSI-HXUWFJFHSA-N 2 1 436.556 2.829 50 0 IFAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[NH+](Cc2ccncc2)C1 ZINC000014753904 556444453 /nfs/dbraw/zinc/44/44/53/556444453.db2.gz GHMUXQIDFDXCPA-YTFSRNRJSA-N 2 1 437.588 2.594 50 0 IFAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014753904 556444456 /nfs/dbraw/zinc/44/44/56/556444456.db2.gz GHMUXQIDFDXCPA-YTFSRNRJSA-N 2 1 437.588 2.594 50 0 IFAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014753904 556444459 /nfs/dbraw/zinc/44/44/59/556444459.db2.gz GHMUXQIDFDXCPA-YTFSRNRJSA-N 2 1 437.588 2.594 50 0 IFAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015070256 556495321 /nfs/dbraw/zinc/49/53/21/556495321.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015070256 556495325 /nfs/dbraw/zinc/49/53/25/556495325.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015070256 556495328 /nfs/dbraw/zinc/49/53/28/556495328.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 2 1 447.620 2.754 50 0 IFAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015070256 556495329 /nfs/dbraw/zinc/49/53/29/556495329.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 2 1 447.620 2.754 50 0 IFAAMP CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1)[NH+]1CCOCC1 ZINC000058265332 556776364 /nfs/dbraw/zinc/77/63/64/556776364.db2.gz BEFQYKLDDXKGGU-FQEVSTJZSA-N 2 1 435.588 2.836 50 0 IFAAMP CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1)[NH+]1CCOCC1 ZINC000058265332 556776370 /nfs/dbraw/zinc/77/63/70/556776370.db2.gz BEFQYKLDDXKGGU-FQEVSTJZSA-N 2 1 435.588 2.836 50 0 IFAAMP O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071614937 556887260 /nfs/dbraw/zinc/88/72/60/556887260.db2.gz JIQVPHZHTUUHPS-HXUWFJFHSA-N 2 1 432.572 2.998 50 0 IFAAMP O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071614937 556887263 /nfs/dbraw/zinc/88/72/63/556887263.db2.gz JIQVPHZHTUUHPS-HXUWFJFHSA-N 2 1 432.572 2.998 50 0 IFAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000020211380 556998717 /nfs/dbraw/zinc/99/87/17/556998717.db2.gz PECNFCSSJSAMGW-FQEVSTJZSA-N 2 1 439.585 2.577 50 0 IFAAMP Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048285 557322760 /nfs/dbraw/zinc/32/27/60/557322760.db2.gz PMDSLIDSQLCMSK-MRXNPFEDSA-N 2 1 430.622 2.603 50 0 IFAAMP O[C@H](COc1cccc(C[NH2+]CCCCCN2CCOCC2)c1)C[NH+]1CCCCCC1 ZINC000023338365 557350348 /nfs/dbraw/zinc/35/03/48/557350348.db2.gz HTLXXFAZTPEGOD-DEOSSOPVSA-N 2 1 433.637 2.894 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000023373104 557351816 /nfs/dbraw/zinc/35/18/16/557351816.db2.gz SHSHEEHIFINXOD-JOCHJYFZSA-N 2 1 445.579 2.810 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000023373104 557351818 /nfs/dbraw/zinc/35/18/18/557351818.db2.gz SHSHEEHIFINXOD-JOCHJYFZSA-N 2 1 445.579 2.810 50 0 IFAAMP COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000023373104 557351821 /nfs/dbraw/zinc/35/18/21/557351821.db2.gz SHSHEEHIFINXOD-JOCHJYFZSA-N 2 1 445.579 2.810 50 0 IFAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632400 557754630 /nfs/dbraw/zinc/75/46/30/557754630.db2.gz CDEBJPITIWHFOU-IFMALSPDSA-N 2 1 446.592 2.691 50 0 IFAAMP COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000023374183 568613907 /nfs/dbraw/zinc/61/39/07/568613907.db2.gz ARAJWOQHCJQICH-OJNXCIKNSA-N 2 1 443.632 2.741 50 0 IFAAMP Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060067 569095767 /nfs/dbraw/zinc/09/57/67/569095767.db2.gz RPZNUNZXKLWLHC-UHFFFAOYSA-N 2 1 432.996 2.882 50 0 IFAAMP C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293322 569131001 /nfs/dbraw/zinc/13/10/01/569131001.db2.gz AUTQAAQDYHQJMV-NFBKMPQASA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293322 569131003 /nfs/dbraw/zinc/13/10/03/569131003.db2.gz AUTQAAQDYHQJMV-NFBKMPQASA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293321 569131010 /nfs/dbraw/zinc/13/10/10/569131010.db2.gz AUTQAAQDYHQJMV-NZQKXSOJSA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293321 569131011 /nfs/dbraw/zinc/13/10/11/569131011.db2.gz AUTQAAQDYHQJMV-NZQKXSOJSA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000252469965 569184874 /nfs/dbraw/zinc/18/48/74/569184874.db2.gz AUTQAAQDYHQJMV-REWPJTCUSA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000252469965 569184877 /nfs/dbraw/zinc/18/48/77/569184877.db2.gz AUTQAAQDYHQJMV-REWPJTCUSA-N 2 1 444.595 2.583 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000230251632 569440563 /nfs/dbraw/zinc/44/05/63/569440563.db2.gz ZSWVYSLTRKUOJU-CTUHWIOQSA-N 2 1 441.597 2.568 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000230251632 569440564 /nfs/dbraw/zinc/44/05/64/569440564.db2.gz ZSWVYSLTRKUOJU-CTUHWIOQSA-N 2 1 441.597 2.568 50 0 IFAAMP COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012304379 524008646 /nfs/dbraw/zinc/00/86/46/524008646.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012304379 524008648 /nfs/dbraw/zinc/00/86/48/524008648.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[NH+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012304379 524008652 /nfs/dbraw/zinc/00/86/52/524008652.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 2 1 438.572 2.932 50 0 IFAAMP COc1ccc(C[NH+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012304379 524008656 /nfs/dbraw/zinc/00/86/56/524008656.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 2 1 438.572 2.932 50 0 IFAAMP O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCC[NH+]1CCCC1 ZINC000013879964 556325041 /nfs/dbraw/zinc/32/50/41/556325041.db2.gz LXZFEUSUTNFDIF-UHFFFAOYSA-N 2 1 448.611 2.912 50 0 IFAAMP COc1ccc(C[NH2+]CCn2ccnc2C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011820396 556362336 /nfs/dbraw/zinc/36/23/36/556362336.db2.gz SJYKJHBPDGFLRI-HSZRJFAPSA-N 2 1 438.572 2.862 50 0 IFAAMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011820396 556362339 /nfs/dbraw/zinc/36/23/39/556362339.db2.gz SJYKJHBPDGFLRI-HSZRJFAPSA-N 3 1 438.572 2.862 50 0 IFAAMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011820396 556362341 /nfs/dbraw/zinc/36/23/41/556362341.db2.gz SJYKJHBPDGFLRI-HSZRJFAPSA-N 3 1 438.572 2.862 50 0 IFAAMP COc1ccc(C[NH2+]CCn2ccnc2C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011820395 556362393 /nfs/dbraw/zinc/36/23/93/556362393.db2.gz SJYKJHBPDGFLRI-QHCPKHFHSA-N 2 1 438.572 2.862 50 0 IFAAMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011820395 556362397 /nfs/dbraw/zinc/36/23/97/556362397.db2.gz SJYKJHBPDGFLRI-QHCPKHFHSA-N 3 1 438.572 2.862 50 0 IFAAMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011820395 556362402 /nfs/dbraw/zinc/36/24/02/556362402.db2.gz SJYKJHBPDGFLRI-QHCPKHFHSA-N 3 1 438.572 2.862 50 0 IFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1c(C)noc1C ZINC000011843883 556367090 /nfs/dbraw/zinc/36/70/90/556367090.db2.gz HQNHUZFRDMNLCF-QFIPXVFZSA-N 2 1 434.625 2.895 50 0 IFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1c(C)noc1C ZINC000011843882 556367099 /nfs/dbraw/zinc/36/70/99/556367099.db2.gz HQNHUZFRDMNLCF-JOCHJYFZSA-N 2 1 434.625 2.895 50 0 IFAAMP CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000014746575 556441591 /nfs/dbraw/zinc/44/15/91/556441591.db2.gz XVNQERYRWQBAEI-FCHUYYIVSA-N 2 1 428.621 2.776 50 0 IFAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[NH+](Cc2ccncc2)C1 ZINC000014753906 556444392 /nfs/dbraw/zinc/44/43/92/556444392.db2.gz GHMUXQIDFDXCPA-ZRBLBEILSA-N 2 1 437.588 2.594 50 0 IFAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014753906 556444398 /nfs/dbraw/zinc/44/43/98/556444398.db2.gz GHMUXQIDFDXCPA-ZRBLBEILSA-N 2 1 437.588 2.594 50 0 IFAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014753906 556444401 /nfs/dbraw/zinc/44/44/01/556444401.db2.gz GHMUXQIDFDXCPA-ZRBLBEILSA-N 2 1 437.588 2.594 50 0 IFAAMP C[N@@H+](CCn1cccn1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3 ZINC000014991900 556475425 /nfs/dbraw/zinc/47/54/25/556475425.db2.gz RIMVKVDGLNLIQN-UHFFFAOYSA-N 2 1 437.544 2.545 50 0 IFAAMP C[N@H+](CCn1ccnc1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493053 /nfs/dbraw/zinc/49/30/53/556493053.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 2 1 449.603 2.753 50 0 IFAAMP C[N@@H+](CCn1ccnc1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493059 /nfs/dbraw/zinc/49/30/59/556493059.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 2 1 449.603 2.753 50 0 IFAAMP Cc1[nH+]ccn1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265711 556523403 /nfs/dbraw/zinc/52/34/03/556523403.db2.gz YGDFBPOKSBSUJG-XMMPIXPASA-N 2 1 429.528 2.893 50 0 IFAAMP CCOCc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)ccc1OC ZINC000039478631 556629099 /nfs/dbraw/zinc/62/90/99/556629099.db2.gz AUHAXFYKRALMLY-XMMPIXPASA-N 2 1 433.637 2.973 50 0 IFAAMP CCOCc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)ccc1OC ZINC000039478631 556629102 /nfs/dbraw/zinc/62/91/02/556629102.db2.gz AUHAXFYKRALMLY-XMMPIXPASA-N 2 1 433.637 2.973 50 0 IFAAMP O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019222130 556716262 /nfs/dbraw/zinc/71/62/62/556716262.db2.gz AJIZJTVBUGMEIZ-FQEVSTJZSA-N 2 1 439.604 2.629 50 0 IFAAMP O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071614947 556887122 /nfs/dbraw/zinc/88/71/22/556887122.db2.gz JIQVPHZHTUUHPS-FQEVSTJZSA-N 2 1 432.572 2.998 50 0 IFAAMP O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071614947 556887127 /nfs/dbraw/zinc/88/71/27/556887127.db2.gz JIQVPHZHTUUHPS-FQEVSTJZSA-N 2 1 432.572 2.998 50 0 IFAAMP O[C@@H](COc1cccc(C[NH2+]CCCCCN2CCOCC2)c1)C[NH+]1CCCCCC1 ZINC000023338363 557350253 /nfs/dbraw/zinc/35/02/53/557350253.db2.gz HTLXXFAZTPEGOD-XMMPIXPASA-N 2 1 433.637 2.894 50 0 IFAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632490 557754577 /nfs/dbraw/zinc/75/45/77/557754577.db2.gz CDEBJPITIWHFOU-UNMCSNQZSA-N 2 1 446.592 2.691 50 0 IFAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632454 557754596 /nfs/dbraw/zinc/75/45/96/557754596.db2.gz CDEBJPITIWHFOU-RBBKRZOGSA-N 2 1 446.592 2.691 50 0 IFAAMP COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000023374181 568613556 /nfs/dbraw/zinc/61/35/56/568613556.db2.gz ARAJWOQHCJQICH-GKWUYRECSA-N 2 1 443.632 2.741 50 0 IFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C3)CC1 ZINC000015779559 568825024 /nfs/dbraw/zinc/82/50/24/568825024.db2.gz HRCHRJBBKUGSHI-UHFFFAOYSA-N 2 1 441.576 2.593 50 0 IFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C3)CC1 ZINC000015779559 568825025 /nfs/dbraw/zinc/82/50/25/568825025.db2.gz HRCHRJBBKUGSHI-UHFFFAOYSA-N 2 1 441.576 2.593 50 0 IFAAMP CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036256302 568984974 /nfs/dbraw/zinc/98/49/74/568984974.db2.gz WKVBUXGRDJJVEA-LECGRMGRSA-N 2 1 440.632 2.861 50 0 IFAAMP C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000225306027 569288889 /nfs/dbraw/zinc/28/88/89/569288889.db2.gz AUTQAAQDYHQJMV-OFNKIYASSA-N 2 1 444.595 2.583 50 0 IFAAMP C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000225306027 569288890 /nfs/dbraw/zinc/28/88/90/569288890.db2.gz AUTQAAQDYHQJMV-OFNKIYASSA-N 2 1 444.595 2.583 50 0 IFAAMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c2)o1 ZINC000012456961 521476334 /nfs/dbraw/zinc/47/63/34/521476334.db2.gz MEKKGRKCJIZLEH-GOSISDBHSA-N 2 1 434.533 2.836 50 0 IFAAMP COc1cc(C[NH2+]CCc2nc3c(c(C)n2)CCC3)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012588360 522456462 /nfs/dbraw/zinc/45/64/62/522456462.db2.gz VSTNILBDRXZJMW-HXUWFJFHSA-N 2 1 442.604 2.695 50 0 IFAAMP C[NH+]1CCN(c2nnc(-n3cccc3CN3CC[NH+](C4CCCCC4)CC3)s2)CC1 ZINC000021880786 523931728 /nfs/dbraw/zinc/93/17/28/523931728.db2.gz TXAKYWQSBIGXFG-UHFFFAOYSA-N 2 1 429.638 2.531 50 0 IFAAMP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012756348 524069743 /nfs/dbraw/zinc/06/97/43/524069743.db2.gz SLQCCWKGONKYNM-XMMPIXPASA-N 3 1 441.616 2.998 50 0 IFAAMP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012756344 524069941 /nfs/dbraw/zinc/06/99/41/524069941.db2.gz SLQCCWKGONKYNM-DEOSSOPVSA-N 3 1 441.616 2.998 50 0 IFAAMP COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020539445 524071068 /nfs/dbraw/zinc/07/10/68/524071068.db2.gz KYICKYOTQGWMLK-QFIPXVFZSA-N 2 1 448.007 2.668 50 0 IFAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 ZINC000011936134 556378845 /nfs/dbraw/zinc/37/88/45/556378845.db2.gz MVNDVBQSBOIERJ-UHFFFAOYSA-N 2 1 433.622 2.812 50 0 IFAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000011954356 556380747 /nfs/dbraw/zinc/38/07/47/556380747.db2.gz FDHVTAKBPGAKPR-OAQYLSRUSA-N 2 1 430.545 2.845 50 0 IFAAMP C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014534317 556422570 /nfs/dbraw/zinc/42/25/70/556422570.db2.gz OYHDCHARIRTVOH-LEWJYISDSA-N 2 1 440.563 2.623 50 0 IFAAMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265712 556523366 /nfs/dbraw/zinc/52/33/66/556523366.db2.gz YGDFBPOKSBSUJG-DEOSSOPVSA-N 2 1 429.528 2.893 50 0 IFAAMP COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019223827 556716270 /nfs/dbraw/zinc/71/62/70/556716270.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 2 1 427.589 2.623 50 0 IFAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000058210581 556772276 /nfs/dbraw/zinc/77/22/76/556772276.db2.gz SYBWQLYSKVRZMG-LJQANCHMSA-N 2 1 429.565 2.552 50 0 IFAAMP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741232 556882764 /nfs/dbraw/zinc/88/27/64/556882764.db2.gz HQJRMAAGEQIJPA-DEOSSOPVSA-N 2 1 441.616 2.747 50 0 IFAAMP Cc1cc(O)c(I)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000095446137 569367260 /nfs/dbraw/zinc/36/72/60/569367260.db2.gz DLMNOOZSXDGZAM-UHFFFAOYSA-N 2 1 430.330 2.849 50 0 IFAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1SCC(N)=O ZINC000095458241 569369165 /nfs/dbraw/zinc/36/91/65/569369165.db2.gz LYTAEABCRPSISR-UHFFFAOYSA-N 2 1 441.601 2.836 50 0 IFAAMP COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012718381 522447597 /nfs/dbraw/zinc/44/75/97/522447597.db2.gz HSHSTRRFBKCGHO-QFIPXVFZSA-N 2 1 447.620 2.802 50 0 IFAAMP C[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@H]1CCOC1 ZINC000012434153 523150608 /nfs/dbraw/zinc/15/06/08/523150608.db2.gz BGNVXCYPKXXZCG-FQEVSTJZSA-N 2 1 425.577 2.646 50 0 IFAAMP C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@H]1CCOC1 ZINC000012434153 523150621 /nfs/dbraw/zinc/15/06/21/523150621.db2.gz BGNVXCYPKXXZCG-FQEVSTJZSA-N 2 1 425.577 2.646 50 0 IFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 ZINC000014961398 556464169 /nfs/dbraw/zinc/46/41/69/556464169.db2.gz TTXRMXLUZCZXSI-NRFANRHFSA-N 2 1 434.600 2.845 50 0 IFAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCc3scnc3C)c2)CC1 ZINC000019224691 556716640 /nfs/dbraw/zinc/71/66/40/556716640.db2.gz MOKVIXGWJZQHNS-OAQYLSRUSA-N 2 1 432.634 2.551 50 0 IFAAMP Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048286 556744433 /nfs/dbraw/zinc/74/44/33/556744433.db2.gz PMDSLIDSQLCMSK-INIZCTEOSA-N 2 1 430.622 2.603 50 0 IFAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000058210582 556772364 /nfs/dbraw/zinc/77/23/64/556772364.db2.gz SYBWQLYSKVRZMG-IBGZPJMESA-N 2 1 429.565 2.552 50 0 IFAAMP O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049550283 557113305 /nfs/dbraw/zinc/11/33/05/557113305.db2.gz HVTAIJWKPCNJDP-UHFFFAOYSA-N 2 1 439.556 2.785 50 0 IFAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)nc3ccccc32)cc1 ZINC000247890933 568632264 /nfs/dbraw/zinc/63/22/64/568632264.db2.gz MTISEVDGFOSZHB-OAQYLSRUSA-N 2 1 447.583 2.737 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000095945439 569375971 /nfs/dbraw/zinc/37/59/71/569375971.db2.gz ZSWVYSLTRKUOJU-WDJPJFJCSA-N 2 1 441.597 2.568 50 0 IFAAMP COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000095945439 569375972 /nfs/dbraw/zinc/37/59/72/569375972.db2.gz ZSWVYSLTRKUOJU-WDJPJFJCSA-N 2 1 441.597 2.568 50 0 IFAAMP CC(=O)N1CCC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000012716157 519530406 /nfs/dbraw/zinc/53/04/06/519530406.db2.gz DZDQKNOKXJJBKY-RUZDIDTESA-N 2 1 437.584 2.539 50 0 IFAAMP CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000012716157 519530410 /nfs/dbraw/zinc/53/04/10/519530410.db2.gz DZDQKNOKXJJBKY-RUZDIDTESA-N 2 1 437.584 2.539 50 0 IFAAMP CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000012716157 519530412 /nfs/dbraw/zinc/53/04/12/519530412.db2.gz DZDQKNOKXJJBKY-RUZDIDTESA-N 2 1 437.584 2.539 50 0 IFAAMP COc1cc(C[NH+]2CCC(CCNC(C)=O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012298696 522368830 /nfs/dbraw/zinc/36/88/30/522368830.db2.gz CPCCQHKRKCDYOA-JOCHJYFZSA-N 2 1 435.609 2.513 50 0 IFAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012439344 522916989 /nfs/dbraw/zinc/91/69/89/522916989.db2.gz LWUFDPUATYKFCD-QHCPKHFHSA-N 2 1 426.557 2.943 50 0 IFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011936712 556378880 /nfs/dbraw/zinc/37/88/80/556378880.db2.gz ZKVTXUAVHQQRMM-SFHVURJKSA-N 2 1 427.568 2.954 50 0 IFAAMP COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)nc3ccccc32)cc1 ZINC000247890926 568632344 /nfs/dbraw/zinc/63/23/44/568632344.db2.gz MTISEVDGFOSZHB-NRFANRHFSA-N 2 1 447.583 2.737 50 0 IFAAMP CCN(CC)[C@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735396 568886773 /nfs/dbraw/zinc/88/67/73/568886773.db2.gz WHNLKQQFOAPZBF-WOJBJXKFSA-N 2 1 442.608 2.976 50 0 IFAAMP C[NH+](C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036312216 568997508 /nfs/dbraw/zinc/99/75/08/568997508.db2.gz JFQUQGIUSDKSIC-UHFFFAOYSA-N 2 1 429.540 2.533 50 0 IFAAMP