smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927681 551580273 /nfs/dbraw/zinc/58/02/73/551580273.db2.gz MOGCOKZQGQOCJL-UHFFFAOYSA-N 1 2 536.589 2.348 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927681 551580272 /nfs/dbraw/zinc/58/02/72/551580272.db2.gz MOGCOKZQGQOCJL-UHFFFAOYSA-N 1 2 536.589 2.348 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927891 551580608 /nfs/dbraw/zinc/58/06/08/551580608.db2.gz FMSUXIIPUZKFJV-UHFFFAOYSA-N 1 2 536.589 2.348 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927891 551580605 /nfs/dbraw/zinc/58/06/05/551580605.db2.gz FMSUXIIPUZKFJV-UHFFFAOYSA-N 1 2 536.589 2.348 40 0 KEABLO Cn1c2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n(CC(=O)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001087837 291748287 /nfs/dbraw/zinc/74/82/87/291748287.db2.gz XNCRJDJXKFXHNE-UHFFFAOYSA-N 1 2 595.454 2.130 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373880 551652448 /nfs/dbraw/zinc/65/24/48/551652448.db2.gz JTOUVRJPTRMTOR-UHFFFAOYSA-N 1 2 504.547 2.094 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373880 551652447 /nfs/dbraw/zinc/65/24/47/551652447.db2.gz JTOUVRJPTRMTOR-UHFFFAOYSA-N 1 2 504.547 2.094 40 0 KEABLO CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004147852 552442947 /nfs/dbraw/zinc/44/29/47/552442947.db2.gz RDQCAHOJKMFWGB-MYDTUXCISA-N 1 2 516.518 2.383 40 0 biogenic,in-vitro KEABLO O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1 ZINC000004147863 552442929 /nfs/dbraw/zinc/44/29/29/552442929.db2.gz LFRHMSMWAHYCEV-CXSMSNRLSA-N 1 2 545.581 2.490 40 0 biogenic,in-vitro KEABLO Fc1ccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004147886 552442964 /nfs/dbraw/zinc/44/29/64/552442964.db2.gz QWOQMTCLZSOAHF-UWHLTILDSA-N 1 2 508.539 2.484 40 0 biogenic,in-vitro KEABLO O=C(OC[C@H]1O[C@@H](n2cc[n+](O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005372886 552500074 /nfs/dbraw/zinc/50/00/74/552500074.db2.gz QKHVECNFTGXDFP-WSOYEBOPSA-N 1 2 557.515 2.082 40 0 KEABLO O=C(OC[C@@H]1O[C@@H](n2cc[n+](O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005372892 552500090 /nfs/dbraw/zinc/50/00/90/552500090.db2.gz QKHVECNFTGXDFP-OJJQZRKESA-N 1 2 557.515 2.082 40 0 KEABLO O=C(OC[C@H]1O[C@@H](n2cc[n+](O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005372901 552500110 /nfs/dbraw/zinc/50/01/10/552500110.db2.gz QKHVECNFTGXDFP-ZKGSSEMHSA-N 1 2 557.515 2.082 40 0 KEABLO O=C(OC[C@@H]1O[C@@H](n2cc[n+](O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005372909 552500425 /nfs/dbraw/zinc/50/04/25/552500425.db2.gz QKHVECNFTGXDFP-FQUZAXHOSA-N 1 2 557.515 2.082 40 0 KEABLO C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2cccc3cccnc32)nn1)Cc1ccccc1 ZINC000005399491 552501034 /nfs/dbraw/zinc/50/10/34/552501034.db2.gz VCKDCZSNPZEQQC-CNXCYTMISA-N 1 2 520.615 2.144 40 0 biogenic,in-vitro KEABLO C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2cccc3cccnc32)nn1)Cc1ccccc1 ZINC000005399491 552501032 /nfs/dbraw/zinc/50/10/32/552501032.db2.gz VCKDCZSNPZEQQC-CNXCYTMISA-N 1 2 520.615 2.144 40 0 biogenic,in-vitro KEABLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762932 552509244 /nfs/dbraw/zinc/50/92/44/552509244.db2.gz WVIROHQCACRCMC-CYXNTTPDSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762932 552509241 /nfs/dbraw/zinc/50/92/41/552509241.db2.gz WVIROHQCACRCMC-CYXNTTPDSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762933 552509064 /nfs/dbraw/zinc/50/90/64/552509064.db2.gz WVIROHQCACRCMC-ZNZIZOMTSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762933 552509060 /nfs/dbraw/zinc/50/90/60/552509060.db2.gz WVIROHQCACRCMC-ZNZIZOMTSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762934 552509164 /nfs/dbraw/zinc/50/91/64/552509164.db2.gz WVIROHQCACRCMC-NXCFDTQHSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762934 552509160 /nfs/dbraw/zinc/50/91/60/552509160.db2.gz WVIROHQCACRCMC-NXCFDTQHSA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762935 552509090 /nfs/dbraw/zinc/50/90/90/552509090.db2.gz WVIROHQCACRCMC-GSDHBNRESA-N 1 2 600.632 2.147 40 0 KEABLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762935 552509088 /nfs/dbraw/zinc/50/90/88/552509088.db2.gz WVIROHQCACRCMC-GSDHBNRESA-N 1 2 600.632 2.147 40 0 KEABLO CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)n2CC)s1 ZINC000006860965 552975355 /nfs/dbraw/zinc/97/53/55/552975355.db2.gz HEODSDOABDYINW-UHFFFAOYSA-N 1 2 536.709 2.046 40 0 KEABLO CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000006878405 552975795 /nfs/dbraw/zinc/97/57/95/552975795.db2.gz RDRPXVJZQOCXNU-UHFFFAOYSA-N 1 2 544.659 2.361 40 0 KEABLO N=C(N[C@H](O)C(Cl)(Cl)Cl)SCNC(=O)NCSC(=[NH2+])N[C@H](O)C(Cl)(Cl)Cl ZINC000008614509 553101958 /nfs/dbraw/zinc/10/19/58/553101958.db2.gz AJMYBHMDAAJOPS-QWWZWVQMSA-N 1 2 531.102 2.093 40 0 KEABLO COCCn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013033284 553443051 /nfs/dbraw/zinc/44/30/51/553443051.db2.gz RIIQWFIXQAOJOX-UHFFFAOYSA-N 1 2 508.579 2.432 40 0 KEABLO COCCn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013033284 553443048 /nfs/dbraw/zinc/44/30/48/553443048.db2.gz RIIQWFIXQAOJOX-UHFFFAOYSA-N 1 2 508.579 2.432 40 0 KEABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1Br ZINC000015226319 553529333 /nfs/dbraw/zinc/52/93/33/553529333.db2.gz YXJGNCQWWVBHSL-UHFFFAOYSA-N 1 2 510.410 2.288 40 0 KEABLO O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCOCC1)C[NH+]1CCOCC1 ZINC000015229111 553529674 /nfs/dbraw/zinc/52/96/74/553529674.db2.gz PJJAUSYIRUWVPM-UHFFFAOYSA-N 1 2 504.219 2.438 40 0 KEABLO COc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCC[NH+]4CCOCC4)cc3)C2)c1 ZINC000015671974 1066439561 /nfs/dbraw/zinc/43/95/61/1066439561.db2.gz KGBLFKLLXCLZGG-JWQCQUIFSA-N 1 2 512.607 2.193 40 0 biogenic,in-vitro KEABLO CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016187611 553556076 /nfs/dbraw/zinc/55/60/76/553556076.db2.gz BRKMXWAPSZQKKV-UHFFFAOYSA-N 1 2 510.410 2.143 40 0 KEABLO O=C(NCCN1CCOCC1)Nc1ccc(Cc2ccc(NC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000016401922 553562810 /nfs/dbraw/zinc/56/28/10/553562810.db2.gz ZZLMNQQLYJULBE-UHFFFAOYSA-N 1 2 510.639 2.185 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016428752 553563140 /nfs/dbraw/zinc/56/31/40/553563140.db2.gz MCBMLBARNABBMX-UHFFFAOYSA-N 1 2 501.605 2.359 40 0 KEABLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000016692421 553573786 /nfs/dbraw/zinc/57/37/86/553573786.db2.gz ONSZHSGYHHKXLQ-UHFFFAOYSA-N 1 2 510.012 2.432 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 ZINC000019818632 553619534 /nfs/dbraw/zinc/61/95/34/553619534.db2.gz AYXKYDJWGGNLGQ-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 ZINC000019818634 553619521 /nfs/dbraw/zinc/61/95/21/553619521.db2.gz AYXKYDJWGGNLGQ-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000019818635 553619394 /nfs/dbraw/zinc/61/93/94/553619394.db2.gz KWOGLKKDVZRRNS-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000019818636 553619485 /nfs/dbraw/zinc/61/94/85/553619485.db2.gz KWOGLKKDVZRRNS-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818650 553619426 /nfs/dbraw/zinc/61/94/26/553619426.db2.gz GHQJVKGAVSGWPW-NRFANRHFSA-N 1 2 503.525 2.183 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818652 553619357 /nfs/dbraw/zinc/61/93/57/553619357.db2.gz GHQJVKGAVSGWPW-OAQYLSRUSA-N 1 2 503.525 2.183 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818654 553619455 /nfs/dbraw/zinc/61/94/55/553619455.db2.gz SOJNJPPIEVWSDF-NRFANRHFSA-N 1 2 521.515 2.322 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818657 553619527 /nfs/dbraw/zinc/61/95/27/553619527.db2.gz SOJNJPPIEVWSDF-OAQYLSRUSA-N 1 2 521.515 2.322 40 0 KEABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000019818697 553619436 /nfs/dbraw/zinc/61/94/36/553619436.db2.gz SKZOXMNGCJTAHJ-QHCPKHFHSA-N 1 2 514.026 2.217 40 0 KEABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000019818698 553619478 /nfs/dbraw/zinc/61/94/78/553619478.db2.gz SKZOXMNGCJTAHJ-HSZRJFAPSA-N 1 2 514.026 2.217 40 0 KEABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000019818699 553619340 /nfs/dbraw/zinc/61/93/40/553619340.db2.gz JHYHNCQMTIODOM-QHCPKHFHSA-N 1 2 514.026 2.217 40 0 KEABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000019818700 553619495 /nfs/dbraw/zinc/61/94/95/553619495.db2.gz JHYHNCQMTIODOM-HSZRJFAPSA-N 1 2 514.026 2.217 40 0 KEABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000019818715 553619376 /nfs/dbraw/zinc/61/93/76/553619376.db2.gz DGKVJOFIJJMVAM-QFIPXVFZSA-N 1 2 501.990 2.265 40 0 KEABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000019818716 553619802 /nfs/dbraw/zinc/61/98/02/553619802.db2.gz DGKVJOFIJJMVAM-JOCHJYFZSA-N 1 2 501.990 2.265 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000019818719 193887322 /nfs/dbraw/zinc/88/73/22/193887322.db2.gz LLLAVFNWBNYUFF-QHCPKHFHSA-N 1 2 514.026 2.135 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000019818720 553619675 /nfs/dbraw/zinc/61/96/75/553619675.db2.gz LLLAVFNWBNYUFF-HSZRJFAPSA-N 1 2 514.026 2.135 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000019818721 193887285 /nfs/dbraw/zinc/88/72/85/193887285.db2.gz JAPCKKXFKBKQCY-QFIPXVFZSA-N 1 2 514.026 2.135 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000019818722 553619778 /nfs/dbraw/zinc/61/97/78/553619778.db2.gz JAPCKKXFKBKQCY-JOCHJYFZSA-N 1 2 514.026 2.135 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000019820934 553620300 /nfs/dbraw/zinc/62/03/00/553620300.db2.gz YXZAPDVTPQGSOB-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000019820936 193888172 /nfs/dbraw/zinc/88/81/72/193888172.db2.gz YXZAPDVTPQGSOB-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl ZINC000019820938 553620215 /nfs/dbraw/zinc/62/02/15/553620215.db2.gz IZKVQACSYUHTER-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl ZINC000019820940 553620248 /nfs/dbraw/zinc/62/02/48/553620248.db2.gz IZKVQACSYUHTER-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000019821044 553620335 /nfs/dbraw/zinc/62/03/35/553620335.db2.gz CTTJOSGSJNQILE-VWLOTQADSA-N 1 2 503.578 2.457 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000019821046 553620307 /nfs/dbraw/zinc/62/03/07/553620307.db2.gz CTTJOSGSJNQILE-RUZDIDTESA-N 1 2 503.578 2.457 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000019821054 553620264 /nfs/dbraw/zinc/62/02/64/553620264.db2.gz DCDYOBWSARKHSX-SANMLTNESA-N 1 2 515.614 2.326 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000019821056 553620357 /nfs/dbraw/zinc/62/03/57/553620357.db2.gz DCDYOBWSARKHSX-AREMUKBSSA-N 1 2 515.614 2.326 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc3ccccc32)CC1 ZINC000019821058 553620385 /nfs/dbraw/zinc/62/03/85/553620385.db2.gz YCGWZNGRUKOZFA-VWLOTQADSA-N 1 2 515.614 2.326 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc3ccccc32)CC1 ZINC000019821060 553620367 /nfs/dbraw/zinc/62/03/67/553620367.db2.gz YCGWZNGRUKOZFA-RUZDIDTESA-N 1 2 515.614 2.326 40 0 KEABLO Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823255 553620680 /nfs/dbraw/zinc/62/06/80/553620680.db2.gz HELMARADLFEDNH-UHFFFAOYSA-N 1 2 515.724 2.266 40 0 KEABLO Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1Cl ZINC000019823358 553620618 /nfs/dbraw/zinc/62/06/18/553620618.db2.gz HFBSWTCNAISHNG-UHFFFAOYSA-N 1 2 522.115 2.221 40 0 KEABLO Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1C ZINC000019823513 553620710 /nfs/dbraw/zinc/62/07/10/553620710.db2.gz CNWYJDYKCQHKIB-UHFFFAOYSA-N 1 2 515.724 2.266 40 0 KEABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc12 ZINC000019824197 553620529 /nfs/dbraw/zinc/62/05/29/553620529.db2.gz QUBLXFLOHGBVAD-UHFFFAOYSA-N 1 2 515.724 2.266 40 0 KEABLO Cc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824357 553620921 /nfs/dbraw/zinc/62/09/21/553620921.db2.gz HIQJAEFPDITJOU-UHFFFAOYSA-N 1 2 515.724 2.266 40 0 KEABLO CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824548 553620871 /nfs/dbraw/zinc/62/08/71/553620871.db2.gz WBPZLKHYOHYWSB-UHFFFAOYSA-N 1 2 531.723 2.048 40 0 KEABLO Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000019825888 553621436 /nfs/dbraw/zinc/62/14/36/553621436.db2.gz KAGQQHOPLSQZSE-OAQYLSRUSA-N 1 2 532.667 2.080 40 0 KEABLO Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000019825892 553621482 /nfs/dbraw/zinc/62/14/82/553621482.db2.gz KAGQQHOPLSQZSE-NRFANRHFSA-N 1 2 532.667 2.080 40 0 KEABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000019825952 553621520 /nfs/dbraw/zinc/62/15/20/553621520.db2.gz UCDHMDNCNNRPRC-JOCHJYFZSA-N 1 2 513.599 2.041 40 0 KEABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000019825956 553621504 /nfs/dbraw/zinc/62/15/04/553621504.db2.gz UCDHMDNCNNRPRC-QFIPXVFZSA-N 1 2 513.599 2.041 40 0 KEABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000019825959 553621500 /nfs/dbraw/zinc/62/15/00/553621500.db2.gz OPCIKYLRJBNDAS-HSZRJFAPSA-N 1 2 527.626 2.350 40 0 KEABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000019825963 553621523 /nfs/dbraw/zinc/62/15/23/553621523.db2.gz OPCIKYLRJBNDAS-QHCPKHFHSA-N 1 2 527.626 2.350 40 0 KEABLO CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930283 553634267 /nfs/dbraw/zinc/63/42/67/553634267.db2.gz QZFJQVNWTRTVNZ-UHFFFAOYSA-N 1 2 510.012 2.432 40 0 KEABLO Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000019941109 553642463 /nfs/dbraw/zinc/64/24/63/553642463.db2.gz ARQAOWCKSUSEFN-JOCHJYFZSA-N 1 2 528.679 2.097 40 0 KEABLO Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000019941110 553642559 /nfs/dbraw/zinc/64/25/59/553642559.db2.gz ARQAOWCKSUSEFN-QFIPXVFZSA-N 1 2 528.679 2.097 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961913 553649030 /nfs/dbraw/zinc/64/90/30/553649030.db2.gz LRLGVIYGHCVHBY-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961916 553649073 /nfs/dbraw/zinc/64/90/73/553649073.db2.gz LRLGVIYGHCVHBY-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019972835 553649493 /nfs/dbraw/zinc/64/94/93/553649493.db2.gz ZAVZASSMYTXLNH-VWLOTQADSA-N 1 2 517.590 2.105 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019972836 553649427 /nfs/dbraw/zinc/64/94/27/553649427.db2.gz ZAVZASSMYTXLNH-RUZDIDTESA-N 1 2 517.590 2.105 40 0 KEABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019972960 553650285 /nfs/dbraw/zinc/65/02/85/553650285.db2.gz USJGTILGKRIENH-AREMUKBSSA-N 1 2 531.617 2.359 40 0 KEABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019972961 553650307 /nfs/dbraw/zinc/65/03/07/553650307.db2.gz USJGTILGKRIENH-SANMLTNESA-N 1 2 531.617 2.359 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973010 553650536 /nfs/dbraw/zinc/65/05/36/553650536.db2.gz FONUPRNDLSBVTL-VWLOTQADSA-N 1 2 517.590 2.105 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973011 553650559 /nfs/dbraw/zinc/65/05/59/553650559.db2.gz FONUPRNDLSBVTL-RUZDIDTESA-N 1 2 517.590 2.105 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020082808 553682647 /nfs/dbraw/zinc/68/26/47/553682647.db2.gz FYQYWHQPBPZWMK-SANMLTNESA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020082811 553682651 /nfs/dbraw/zinc/68/26/51/553682651.db2.gz FYQYWHQPBPZWMK-AREMUKBSSA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020082850 553682582 /nfs/dbraw/zinc/68/25/82/553682582.db2.gz JRRLLXADPOPUHA-VWLOTQADSA-N 1 2 517.590 2.105 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020082853 553682595 /nfs/dbraw/zinc/68/25/95/553682595.db2.gz JRRLLXADPOPUHA-RUZDIDTESA-N 1 2 517.590 2.105 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083130 553683431 /nfs/dbraw/zinc/68/34/31/553683431.db2.gz ZMGMWENJAHIRQC-SANMLTNESA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083134 553683467 /nfs/dbraw/zinc/68/34/67/553683467.db2.gz ZMGMWENJAHIRQC-AREMUKBSSA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083416 553683973 /nfs/dbraw/zinc/68/39/73/553683973.db2.gz RZVLVEFZXZXPTJ-SANMLTNESA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083419 553683978 /nfs/dbraw/zinc/68/39/78/553683978.db2.gz RZVLVEFZXZXPTJ-AREMUKBSSA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083580 553684481 /nfs/dbraw/zinc/68/44/81/553684481.db2.gz MMJWFYRRPBJNDB-SANMLTNESA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083584 553684503 /nfs/dbraw/zinc/68/45/03/553684503.db2.gz MMJWFYRRPBJNDB-AREMUKBSSA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083709 553684872 /nfs/dbraw/zinc/68/48/72/553684872.db2.gz CYBVWVMURSUSFD-SANMLTNESA-N 1 2 531.617 2.414 40 0 KEABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020083713 553684920 /nfs/dbraw/zinc/68/49/20/553684920.db2.gz CYBVWVMURSUSFD-AREMUKBSSA-N 1 2 531.617 2.414 40 0 KEABLO COc1cc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)cc1NC(C)=O ZINC000020109317 553692364 /nfs/dbraw/zinc/69/23/64/553692364.db2.gz FGEVRMWSNQIBPT-UHFFFAOYSA-N 1 2 506.581 2.124 40 0 KEABLO CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCC[NH+]1CCOCC1 ZINC000020504770 291735649 /nfs/dbraw/zinc/73/56/49/291735649.db2.gz QYWAVBUKAUKHDH-CLFWJIOASA-N 1 2 536.739 2.382 40 0 biogenic,in-vitro KEABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)C4CCC4)sc3C[C@H]12 ZINC000020504775 553668089 /nfs/dbraw/zinc/66/80/89/553668089.db2.gz XAMMJJHYJNHMPV-BWSFKYGTSA-N 1 2 534.723 2.136 40 0 biogenic,in-vitro KEABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020638745 553681452 /nfs/dbraw/zinc/68/14/52/553681452.db2.gz NSUHZOSRVWATPF-QFIPXVFZSA-N 1 2 517.552 2.492 40 0 KEABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020638749 553681429 /nfs/dbraw/zinc/68/14/29/553681429.db2.gz NSUHZOSRVWATPF-JOCHJYFZSA-N 1 2 517.552 2.492 40 0 KEABLO Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020638915 553681491 /nfs/dbraw/zinc/68/14/91/553681491.db2.gz VKOYZWVECXNOBN-QFIPXVFZSA-N 1 2 517.552 2.492 40 0 KEABLO Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020638919 553681484 /nfs/dbraw/zinc/68/14/84/553681484.db2.gz VKOYZWVECXNOBN-JOCHJYFZSA-N 1 2 517.552 2.492 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000020676563 553687395 /nfs/dbraw/zinc/68/73/95/553687395.db2.gz APFTWXYJBMTETB-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000020676568 553687445 /nfs/dbraw/zinc/68/74/45/553687445.db2.gz APFTWXYJBMTETB-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000020676573 553687318 /nfs/dbraw/zinc/68/73/18/553687318.db2.gz CEEYVPPHSZNQRY-NRFANRHFSA-N 1 2 504.418 2.471 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000020676578 553687373 /nfs/dbraw/zinc/68/73/73/553687373.db2.gz CEEYVPPHSZNQRY-OAQYLSRUSA-N 1 2 504.418 2.471 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000020803079 553698555 /nfs/dbraw/zinc/69/85/55/553698555.db2.gz BWLRIKNREFFGPJ-VWLOTQADSA-N 1 2 507.635 2.296 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000020803083 553698626 /nfs/dbraw/zinc/69/86/26/553698626.db2.gz BWLRIKNREFFGPJ-RUZDIDTESA-N 1 2 507.635 2.296 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000020803086 553698607 /nfs/dbraw/zinc/69/86/07/553698607.db2.gz PYRDSEZUJXEQMS-DEOSSOPVSA-N 1 2 507.635 2.296 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000020803090 553698597 /nfs/dbraw/zinc/69/85/97/553698597.db2.gz PYRDSEZUJXEQMS-XMMPIXPASA-N 1 2 507.635 2.296 40 0 KEABLO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020803107 553698566 /nfs/dbraw/zinc/69/85/66/553698566.db2.gz RAURASCOPWDUHD-DEOSSOPVSA-N 1 2 535.645 2.012 40 0 KEABLO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020803112 553698612 /nfs/dbraw/zinc/69/86/12/553698612.db2.gz RAURASCOPWDUHD-XMMPIXPASA-N 1 2 535.645 2.012 40 0 KEABLO COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022230107 553727961 /nfs/dbraw/zinc/72/79/61/553727961.db2.gz BXTYAALFBOOUQN-OAQYLSRUSA-N 1 2 501.605 2.230 40 0 KEABLO COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022230109 553727950 /nfs/dbraw/zinc/72/79/50/553727950.db2.gz BXTYAALFBOOUQN-NRFANRHFSA-N 1 2 501.605 2.230 40 0 KEABLO CCN(c1cc(OC)c(OC)cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O ZINC000022252182 553731733 /nfs/dbraw/zinc/73/17/33/553731733.db2.gz KVOYVAXUKBXAHG-UHFFFAOYSA-N 1 2 505.593 2.176 40 0 KEABLO CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022252932 553731894 /nfs/dbraw/zinc/73/18/94/553731894.db2.gz NBHWJYCEEJHXLH-UHFFFAOYSA-N 1 2 505.593 2.176 40 0 KEABLO COc1cc(C(=O)NCC[NH+]2CCOCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254217 553732651 /nfs/dbraw/zinc/73/26/51/553732651.db2.gz VCVMXPQZKXNAOS-UHFFFAOYSA-N 1 2 512.028 2.385 40 0 KEABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866292 553763388 /nfs/dbraw/zinc/76/33/88/553763388.db2.gz JOBQHYICAOBHLX-SANMLTNESA-N 1 2 547.616 2.196 40 0 KEABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866348 553763392 /nfs/dbraw/zinc/76/33/92/553763392.db2.gz JOBQHYICAOBHLX-AREMUKBSSA-N 1 2 547.616 2.196 40 0 KEABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869279 553764494 /nfs/dbraw/zinc/76/44/94/553764494.db2.gz XDCKYQXJRARDBJ-CUNXSJBXSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869287 553764466 /nfs/dbraw/zinc/76/44/66/553764466.db2.gz XDCKYQXJRARDBJ-AMGIVPHBSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869327 553764444 /nfs/dbraw/zinc/76/44/44/553764444.db2.gz XDCKYQXJRARDBJ-WXVAWEFUSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869337 553764371 /nfs/dbraw/zinc/76/43/71/553764371.db2.gz XDCKYQXJRARDBJ-AJTFRIOCSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869352 553764477 /nfs/dbraw/zinc/76/44/77/553764477.db2.gz IMFFALFPTNLAMM-CUNXSJBXSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869362 553764390 /nfs/dbraw/zinc/76/43/90/553764390.db2.gz IMFFALFPTNLAMM-AMGIVPHBSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869376 553764717 /nfs/dbraw/zinc/76/47/17/553764717.db2.gz IMFFALFPTNLAMM-WXVAWEFUSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869386 553764629 /nfs/dbraw/zinc/76/46/29/553764629.db2.gz IMFFALFPTNLAMM-AJTFRIOCSA-N 1 2 559.627 2.338 40 0 KEABLO COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000025767318 553813368 /nfs/dbraw/zinc/81/33/68/553813368.db2.gz XSUYXWWCMSMJDV-UHFFFAOYSA-N 1 2 519.595 2.308 40 0 KEABLO O=S(=O)(c1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1)N1CCOCC1 ZINC000026099329 553814451 /nfs/dbraw/zinc/81/44/51/553814451.db2.gz LDVAEZPICQCSRZ-UHFFFAOYSA-N 1 2 515.661 2.380 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000026111184 553815316 /nfs/dbraw/zinc/81/53/16/553815316.db2.gz WHJJQINLDDAYDI-HXUWFJFHSA-N 1 2 501.605 2.169 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000026111192 553815271 /nfs/dbraw/zinc/81/52/71/553815271.db2.gz WHJJQINLDDAYDI-FQEVSTJZSA-N 1 2 501.605 2.169 40 0 KEABLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1 ZINC000035077050 554034111 /nfs/dbraw/zinc/03/41/11/554034111.db2.gz MIJFNYMSCFYZNY-UHFFFAOYSA-N 1 2 531.679 2.451 40 0 investigational KEABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)c4ccco4)sc3C[C@H]12 ZINC000035978075 554116592 /nfs/dbraw/zinc/11/65/92/554116592.db2.gz FFGBLJSWJNPMBP-YFXFORSBSA-N 1 2 546.690 2.242 40 0 biogenic,in-vitro KEABLO CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036295989 554211266 /nfs/dbraw/zinc/21/12/66/554211266.db2.gz GMPPRVMYBRUCCQ-UHFFFAOYSA-N 1 2 506.698 2.442 40 0 KEABLO CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036295993 554211337 /nfs/dbraw/zinc/21/13/37/554211337.db2.gz RWDJTSKTAQJDHW-UHFFFAOYSA-N 1 2 516.649 2.338 40 0 KEABLO CCn1c(SCC(=O)Nc2ccc(O)cc2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036295996 554211319 /nfs/dbraw/zinc/21/13/19/554211319.db2.gz OZQLOQOJBXSWQE-UHFFFAOYSA-N 1 2 516.649 2.338 40 0 KEABLO CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296013 554211292 /nfs/dbraw/zinc/21/12/92/554211292.db2.gz KPWZNYCRZAUYHX-SFHVURJKSA-N 1 2 506.698 2.394 40 0 KEABLO CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296017 554211344 /nfs/dbraw/zinc/21/13/44/554211344.db2.gz KPWZNYCRZAUYHX-GOSISDBHSA-N 1 2 506.698 2.394 40 0 KEABLO CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296020 554211352 /nfs/dbraw/zinc/21/13/52/554211352.db2.gz VOIZHWUGSPDMNG-SFHVURJKSA-N 1 2 506.698 2.252 40 0 KEABLO CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296023 554211306 /nfs/dbraw/zinc/21/13/06/554211306.db2.gz VOIZHWUGSPDMNG-GOSISDBHSA-N 1 2 506.698 2.252 40 0 KEABLO CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296027 554211407 /nfs/dbraw/zinc/21/14/07/554211407.db2.gz UNPLEVIDJAECMC-UHFFFAOYSA-N 1 2 506.698 2.252 40 0 KEABLO CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296052 554211249 /nfs/dbraw/zinc/21/12/49/554211249.db2.gz MKNNBDCMVPJNSO-UHFFFAOYSA-N 1 2 507.667 2.088 40 0 KEABLO CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296056 554211461 /nfs/dbraw/zinc/21/14/61/554211461.db2.gz LHBHCTQEZCWIFJ-UHFFFAOYSA-N 1 2 521.694 2.397 40 0 KEABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 ZINC000038140269 554262946 /nfs/dbraw/zinc/26/29/46/554262946.db2.gz HVFLRHOYNSOOHZ-SANMLTNESA-N 1 2 551.648 2.293 40 0 KEABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 ZINC000038140270 554262916 /nfs/dbraw/zinc/26/29/16/554262916.db2.gz HVFLRHOYNSOOHZ-AREMUKBSSA-N 1 2 551.648 2.293 40 0 KEABLO Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000038145860 554268324 /nfs/dbraw/zinc/26/83/24/554268324.db2.gz KTDXEJQXZDRABD-QHCPKHFHSA-N 1 2 542.706 2.487 40 0 KEABLO Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000038145861 554268297 /nfs/dbraw/zinc/26/82/97/554268297.db2.gz KTDXEJQXZDRABD-HSZRJFAPSA-N 1 2 542.706 2.487 40 0 KEABLO CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000038784345 554277601 /nfs/dbraw/zinc/27/76/01/554277601.db2.gz LVTZXEWYTJGTHZ-HSZRJFAPSA-N 1 2 512.010 2.020 40 0 KEABLO CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000038784347 554277595 /nfs/dbraw/zinc/27/75/95/554277595.db2.gz LVTZXEWYTJGTHZ-QHCPKHFHSA-N 1 2 512.010 2.020 40 0 KEABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000039986260 554281938 /nfs/dbraw/zinc/28/19/38/554281938.db2.gz ZSPALLQJRCVUNU-UHFFFAOYSA-N 1 2 503.621 2.477 40 0 KEABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Cl ZINC000049597230 554323690 /nfs/dbraw/zinc/32/36/90/554323690.db2.gz DAVQRGLDNMGNJQ-CLAROIROSA-N 1 2 513.944 2.400 40 0 biogenic,in-vitro KEABLO NC(=O)C1CCN(C(=O)C[N@@H+]2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000054672191 554349934 /nfs/dbraw/zinc/34/99/34/554349934.db2.gz NAZFUABUFZOVAW-HSALFYBXSA-N 1 2 524.449 2.158 40 0 KEABLO NC(=O)C1CCN(C(=O)C[N@H+]2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000054672191 554349932 /nfs/dbraw/zinc/34/99/32/554349932.db2.gz NAZFUABUFZOVAW-HSALFYBXSA-N 1 2 524.449 2.158 40 0 KEABLO NC(=O)C1CCN(C(=O)C[N@@H+]2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000054672193 554350013 /nfs/dbraw/zinc/35/00/13/554350013.db2.gz NAZFUABUFZOVAW-SLFFLAALSA-N 1 2 524.449 2.158 40 0 KEABLO NC(=O)C1CCN(C(=O)C[N@H+]2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000054672193 554350011 /nfs/dbraw/zinc/35/00/11/554350011.db2.gz NAZFUABUFZOVAW-SLFFLAALSA-N 1 2 524.449 2.158 40 0 KEABLO COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000059607346 554410185 /nfs/dbraw/zinc/41/01/85/554410185.db2.gz DOFZJHJXQYCSBM-JOCHJYFZSA-N 1 2 563.577 2.200 40 0 KEABLO COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000059607353 554410482 /nfs/dbraw/zinc/41/04/82/554410482.db2.gz DOFZJHJXQYCSBM-QFIPXVFZSA-N 1 2 563.577 2.200 40 0 KEABLO COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059607517 554410474 /nfs/dbraw/zinc/41/04/74/554410474.db2.gz IHBZDYOLXLXYFH-OAQYLSRUSA-N 1 2 533.551 2.192 40 0 KEABLO COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059607525 554410364 /nfs/dbraw/zinc/41/03/64/554410364.db2.gz IHBZDYOLXLXYFH-NRFANRHFSA-N 1 2 533.551 2.192 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000059781021 554429665 /nfs/dbraw/zinc/42/96/65/554429665.db2.gz CXXLMHDRZYUSJB-QFIPXVFZSA-N 1 2 534.444 2.480 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000059781027 554429567 /nfs/dbraw/zinc/42/95/67/554429567.db2.gz CXXLMHDRZYUSJB-JOCHJYFZSA-N 1 2 534.444 2.480 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000059781033 554429718 /nfs/dbraw/zinc/42/97/18/554429718.db2.gz ZTRDRKKFLMDPMW-NRFANRHFSA-N 1 2 534.444 2.480 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000059781038 554429636 /nfs/dbraw/zinc/42/96/36/554429636.db2.gz ZTRDRKKFLMDPMW-OAQYLSRUSA-N 1 2 534.444 2.480 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781046 554429603 /nfs/dbraw/zinc/42/96/03/554429603.db2.gz VEKNVDPNJJRXEN-NRFANRHFSA-N 1 2 562.454 2.196 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781049 554429588 /nfs/dbraw/zinc/42/95/88/554429588.db2.gz VEKNVDPNJJRXEN-OAQYLSRUSA-N 1 2 562.454 2.196 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc2ccccc21 ZINC000059781983 554430373 /nfs/dbraw/zinc/43/03/73/554430373.db2.gz FQJXAJDHNXYBPF-RUZDIDTESA-N 1 2 543.624 2.042 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc2ccccc21 ZINC000059781990 554430456 /nfs/dbraw/zinc/43/04/56/554430456.db2.gz FQJXAJDHNXYBPF-VWLOTQADSA-N 1 2 543.624 2.042 40 0 KEABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000059816465 554430985 /nfs/dbraw/zinc/43/09/85/554430985.db2.gz UGCZQQYHSZFKTE-HSZRJFAPSA-N 1 2 575.588 2.360 40 0 KEABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000059816477 554430991 /nfs/dbraw/zinc/43/09/91/554430991.db2.gz UGCZQQYHSZFKTE-QHCPKHFHSA-N 1 2 575.588 2.360 40 0 KEABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F ZINC000067890434 554534883 /nfs/dbraw/zinc/53/48/83/554534883.db2.gz NYDXBJOHDBCTDE-CLAROIROSA-N 1 2 530.494 2.417 40 0 biogenic,in-vitro KEABLO COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000067890439 291747043 /nfs/dbraw/zinc/74/70/43/291747043.db2.gz UTSIBFRIZDPOPS-WZYRSQIMSA-N 1 2 524.540 2.147 40 0 biogenic,in-vitro KEABLO COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000067890441 291745226 /nfs/dbraw/zinc/74/52/26/291745226.db2.gz UTCNRRSBGPZJGD-NAVOZUGXSA-N 1 2 554.566 2.156 40 0 biogenic,in-vitro KEABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)ccc1Cl ZINC000067890449 554535045 /nfs/dbraw/zinc/53/50/45/554535045.db2.gz XXIKGQHUGFOHCC-CLAROIROSA-N 1 2 529.943 2.106 40 0 biogenic,in-vitro KEABLO COc1ccc(Cl)c(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000067890450 554535013 /nfs/dbraw/zinc/53/50/13/554535013.db2.gz NKRAQZCOKKPXGE-WZYRSQIMSA-N 1 2 543.970 2.409 40 0 biogenic,in-vitro KEABLO COc1cc(C=CC(=O)N2CC[NH+](C[C@@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC ZINC000072266889 553646532 /nfs/dbraw/zinc/64/65/32/553646532.db2.gz SYFDPNLESAYNCB-WKOQKXSESA-N 1 2 556.612 2.284 40 0 in-man KEABLO COc1cc(C=CC(=O)N2CC[NH+](C[C@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC ZINC000072266890 553646595 /nfs/dbraw/zinc/64/65/95/553646595.db2.gz SYFDPNLESAYNCB-FERLCFGISA-N 1 2 556.612 2.284 40 0 in-man KEABLO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000096306507 553749185 /nfs/dbraw/zinc/74/91/85/553749185.db2.gz UKGIQJBSNKLSBV-UHFFFAOYSA-N 1 2 505.406 2.454 40 0 KEABLO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000096306508 553749125 /nfs/dbraw/zinc/74/91/25/553749125.db2.gz FBNPRXLRICONGV-UHFFFAOYSA-N 1 2 505.406 2.454 40 0 KEABLO O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100338272 554322320 /nfs/dbraw/zinc/32/23/20/554322320.db2.gz XEDZYDDGMULMKZ-UHFFFAOYSA-N 1 2 529.640 2.400 40 0 KEABLO COCCn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100368724 554354866 /nfs/dbraw/zinc/35/48/66/554354866.db2.gz VLMPECNEVZWMJH-UHFFFAOYSA-N 1 2 538.605 2.440 40 0 KEABLO COCCn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100368724 554354862 /nfs/dbraw/zinc/35/48/62/554354862.db2.gz VLMPECNEVZWMJH-UHFFFAOYSA-N 1 2 538.605 2.440 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100368940 554355153 /nfs/dbraw/zinc/35/51/53/554355153.db2.gz SDWVSFVPCGTTLE-UHFFFAOYSA-N 1 2 564.599 2.111 40 0 KEABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100368940 554355149 /nfs/dbraw/zinc/35/51/49/554355149.db2.gz SDWVSFVPCGTTLE-UHFFFAOYSA-N 1 2 564.599 2.111 40 0 KEABLO COCCn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100369091 554355176 /nfs/dbraw/zinc/35/51/76/554355176.db2.gz GJNAUHLMRNGTAQ-UHFFFAOYSA-N 1 2 536.589 2.194 40 0 KEABLO COCCn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100369091 554355173 /nfs/dbraw/zinc/35/51/73/554355173.db2.gz GJNAUHLMRNGTAQ-UHFFFAOYSA-N 1 2 536.589 2.194 40 0 KEABLO CO[C@@]1([NH3+])C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 ZINC000100620396 554434325 /nfs/dbraw/zinc/43/43/25/554434325.db2.gz QGXKMJVEULWQSB-UPVQGACJSA-N 1 2 524.628 2.106 40 0 KEABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1 ZINC000102100704 554881573 /nfs/dbraw/zinc/88/15/73/554881573.db2.gz PDTBYBOLFRQENI-OAQYLSRUSA-N 1 2 532.414 2.066 40 0 KEABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1 ZINC000102100709 554881535 /nfs/dbraw/zinc/88/15/35/554881535.db2.gz PDTBYBOLFRQENI-NRFANRHFSA-N 1 2 532.414 2.066 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102253578 554904203 /nfs/dbraw/zinc/90/42/03/554904203.db2.gz HHDNSWQOEAFVQQ-QFIPXVFZSA-N 1 2 533.551 2.192 40 0 KEABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102253583 554904230 /nfs/dbraw/zinc/90/42/30/554904230.db2.gz HHDNSWQOEAFVQQ-JOCHJYFZSA-N 1 2 533.551 2.192 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000102253587 554904216 /nfs/dbraw/zinc/90/42/16/554904216.db2.gz GZDHJDXGLPWMAC-NRFANRHFSA-N 1 2 533.551 2.192 40 0 KEABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000102253592 554904201 /nfs/dbraw/zinc/90/42/01/554904201.db2.gz GZDHJDXGLPWMAC-OAQYLSRUSA-N 1 2 533.551 2.192 40 0 KEABLO O=C1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)C[NH+]1CCOCC1 ZINC000103598690 555453863 /nfs/dbraw/zinc/45/38/63/555453863.db2.gz UPFUAVYSBXNETC-UHFFFAOYSA-N 1 2 598.219 2.122 40 0 KEABLO CN1CCN(C(=O)C(Sc2nc(-c3cccs3)cc(C(F)(F)F)n2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000104864723 571387030 /nfs/dbraw/zinc/38/70/30/571387030.db2.gz GWLKYQDSVDZCCV-UHFFFAOYSA-N 1 2 528.626 2.233 40 0 KEABLO COc1cc(C=CC(=O)N2CC[NH+](C[C@@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC ZINC000111389046 571431996 /nfs/dbraw/zinc/43/19/96/571431996.db2.gz SYFDPNLESAYNCB-HUCIYCNJSA-N 1 2 556.612 2.284 40 0 KEABLO COc1cc(C=CC(=O)N2CC[NH+](C[C@H](O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC ZINC000111389051 571432029 /nfs/dbraw/zinc/43/20/29/571432029.db2.gz SYFDPNLESAYNCB-DPVXCJKMSA-N 1 2 556.612 2.284 40 0 KEABLO COc1cc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000136575667 571449483 /nfs/dbraw/zinc/44/94/83/571449483.db2.gz JSEBBAKNTGQLMM-KSWJDTNCSA-N 1 2 542.592 2.494 40 0 KEABLO COc1cc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000136575667 571449482 /nfs/dbraw/zinc/44/94/82/571449482.db2.gz JSEBBAKNTGQLMM-KSWJDTNCSA-N 1 2 542.592 2.494 40 0 KEABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(I)cc1 ZINC000138286739 571451242 /nfs/dbraw/zinc/45/12/42/571451242.db2.gz SUJDBOLVUKXWMC-UHFFFAOYSA-N 1 2 557.410 2.130 40 0 KEABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222723531 571389593 /nfs/dbraw/zinc/38/95/93/571389593.db2.gz UGCJVWMFQUBDEF-DEOSSOPVSA-N 1 2 556.729 2.269 40 0 KEABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222723591 571389619 /nfs/dbraw/zinc/38/96/19/571389619.db2.gz UGCJVWMFQUBDEF-XMMPIXPASA-N 1 2 556.729 2.269 40 0 KEABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222795672 571398751 /nfs/dbraw/zinc/39/87/51/571398751.db2.gz MISBXLINHDGLMK-NRFANRHFSA-N 1 2 565.136 2.437 40 0 KEABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222795728 571398716 /nfs/dbraw/zinc/39/87/16/571398716.db2.gz MISBXLINHDGLMK-OAQYLSRUSA-N 1 2 565.136 2.437 40 0 KEABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222877801 571408864 /nfs/dbraw/zinc/40/88/64/571408864.db2.gz BWKUENQGOMUFOG-QHCPKHFHSA-N 1 2 574.719 2.409 40 0 KEABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222877865 571408910 /nfs/dbraw/zinc/40/89/10/571408910.db2.gz BWKUENQGOMUFOG-HSZRJFAPSA-N 1 2 574.719 2.409 40 0 KEABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891651 571410326 /nfs/dbraw/zinc/41/03/26/571410326.db2.gz AHVXICMMLJSCOD-NRFANRHFSA-N 1 2 560.692 2.065 40 0 KEABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891718 571410243 /nfs/dbraw/zinc/41/02/43/571410243.db2.gz AHVXICMMLJSCOD-OAQYLSRUSA-N 1 2 560.692 2.065 40 0 KEABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222953622 571416795 /nfs/dbraw/zinc/41/67/95/571416795.db2.gz VOZNLIUBGNZHEB-DEOSSOPVSA-N 1 2 586.755 2.278 40 0 KEABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222953675 571416878 /nfs/dbraw/zinc/41/68/78/571416878.db2.gz VOZNLIUBGNZHEB-XMMPIXPASA-N 1 2 586.755 2.278 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000222995338 571420242 /nfs/dbraw/zinc/42/02/42/571420242.db2.gz PTUQDTOHAJVYMN-UHFFFAOYSA-N 1 2 564.730 2.296 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223008738 571421359 /nfs/dbraw/zinc/42/13/59/571421359.db2.gz REICOAQGLREALU-YTTGMZPUSA-N 1 2 650.798 2.175 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223008795 571421289 /nfs/dbraw/zinc/42/12/89/571421289.db2.gz REICOAQGLREALU-JGCGQSQUSA-N 1 2 650.798 2.175 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223153514 571437260 /nfs/dbraw/zinc/43/72/60/571437260.db2.gz YUWSGGTZICCWAY-YTTGMZPUSA-N 1 2 668.788 2.314 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223153569 571437323 /nfs/dbraw/zinc/43/73/23/571437323.db2.gz YUWSGGTZICCWAY-JGCGQSQUSA-N 1 2 668.788 2.314 40 0 KEABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223224676 571447453 /nfs/dbraw/zinc/44/74/53/571447453.db2.gz RRCFFFJDLKLHKM-XIFFEERXSA-N 1 2 680.824 2.183 40 0 KEABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223224728 571447398 /nfs/dbraw/zinc/44/73/98/571447398.db2.gz RRCFFFJDLKLHKM-MGBGTMOVSA-N 1 2 680.824 2.183 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223296458 571456771 /nfs/dbraw/zinc/45/67/71/571456771.db2.gz CGJVVUGFSBOMMR-JGCGQSQUSA-N 1 2 636.771 2.305 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223296510 571456875 /nfs/dbraw/zinc/45/68/75/571456875.db2.gz CGJVVUGFSBOMMR-YTTGMZPUSA-N 1 2 636.771 2.305 40 0 KEABLO CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)ccc21 ZINC000223316129 571459574 /nfs/dbraw/zinc/45/95/74/571459574.db2.gz AKPMFIXLAOKULI-UHFFFAOYSA-N 1 2 506.650 2.031 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223440738 571477007 /nfs/dbraw/zinc/47/70/07/571477007.db2.gz CZHMZGIJXPGAQK-JGCGQSQUSA-N 1 2 654.761 2.444 40 0 KEABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223440790 571477066 /nfs/dbraw/zinc/47/70/66/571477066.db2.gz CZHMZGIJXPGAQK-YTTGMZPUSA-N 1 2 654.761 2.444 40 0 KEABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223509464 571489694 /nfs/dbraw/zinc/48/96/94/571489694.db2.gz BZUVLMSPNGVREJ-MGBGTMOVSA-N 1 2 666.797 2.313 40 0 KEABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223509513 571489790 /nfs/dbraw/zinc/48/97/90/571489790.db2.gz BZUVLMSPNGVREJ-XIFFEERXSA-N 1 2 666.797 2.313 40 0 KEABLO CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000223687135 571526908 /nfs/dbraw/zinc/52/69/08/571526908.db2.gz YJCVCTPMUKYCLX-UHFFFAOYSA-N 1 2 503.621 2.153 40 0 KEABLO Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000223777203 571542460 /nfs/dbraw/zinc/54/24/60/571542460.db2.gz UROFSSNXRLCQIK-MRXNPFEDSA-N 1 2 530.619 2.003 40 0 KEABLO Cc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000223777255 571542471 /nfs/dbraw/zinc/54/24/71/571542471.db2.gz UROFSSNXRLCQIK-INIZCTEOSA-N 1 2 530.619 2.003 40 0 KEABLO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223877485 571566473 /nfs/dbraw/zinc/56/64/73/571566473.db2.gz LJOOMKCBLQCTIJ-OAHLLOKOSA-N 1 2 500.042 2.171 40 0 KEABLO C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223877540 571566445 /nfs/dbraw/zinc/56/64/45/571566445.db2.gz LJOOMKCBLQCTIJ-HNNXBMFYSA-N 1 2 500.042 2.171 40 0 KEABLO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000223877761 571566484 /nfs/dbraw/zinc/56/64/84/571566484.db2.gz QNELXPXOMDAJEV-OAHLLOKOSA-N 1 2 500.042 2.171 40 0 KEABLO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000223877813 571566449 /nfs/dbraw/zinc/56/64/49/571566449.db2.gz QNELXPXOMDAJEV-HNNXBMFYSA-N 1 2 500.042 2.171 40 0 KEABLO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000224220169 571499684 /nfs/dbraw/zinc/49/96/84/571499684.db2.gz ZWTYWGBNTHYDNR-JOCHJYFZSA-N 1 2 538.692 2.123 40 0 KEABLO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000224220227 571499953 /nfs/dbraw/zinc/49/99/53/571499953.db2.gz ZWTYWGBNTHYDNR-QFIPXVFZSA-N 1 2 538.692 2.123 40 0 KEABLO Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000224399871 571537765 /nfs/dbraw/zinc/53/77/65/571537765.db2.gz KVFBJMTXIBFSTL-UHFFFAOYSA-N 1 2 518.661 2.031 40 0 KEABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2Cl)CC1 ZINC000224406989 571539547 /nfs/dbraw/zinc/53/95/47/571539547.db2.gz MHMRPJFIWURCCS-UHFFFAOYSA-N 1 2 585.148 2.260 40 0 KEABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1 ZINC000224407145 571539563 /nfs/dbraw/zinc/53/95/63/571539563.db2.gz PYPVVBIYVNKQLR-UHFFFAOYSA-N 1 2 585.148 2.260 40 0 KEABLO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000224546481 571571455 /nfs/dbraw/zinc/57/14/55/571571455.db2.gz UWGSYWSITYLAIK-UHFFFAOYSA-N 1 2 517.604 2.077 40 0 KEABLO COc1ccc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)S(C)(=O)=O)cc1 ZINC000224686022 571603962 /nfs/dbraw/zinc/60/39/62/571603962.db2.gz RXXVDQJGTHJYDH-UHFFFAOYSA-N 1 2 538.692 2.125 40 0 KEABLO CSc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1NC(C)=O ZINC000224720114 571610119 /nfs/dbraw/zinc/61/01/19/571610119.db2.gz JFAXXAPAMKGRAJ-UHFFFAOYSA-N 1 2 512.679 2.412 40 0 KEABLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)ccc1Cl ZINC000224792894 571617643 /nfs/dbraw/zinc/61/76/43/571617643.db2.gz IQIMZJCVOBMBGR-UHFFFAOYSA-N 1 2 502.014 2.172 40 0 KEABLO Cc1ccccc1N(CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000224936096 571631642 /nfs/dbraw/zinc/63/16/42/571631642.db2.gz LNGFWUPPDQHNNC-UHFFFAOYSA-N 1 2 522.693 2.424 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225024042 571639939 /nfs/dbraw/zinc/63/99/39/571639939.db2.gz YWJVAFAVTODHNV-UHFFFAOYSA-N 1 2 515.632 2.485 40 0 KEABLO COc1cccc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)S(C)(=O)=O)c1 ZINC000225361864 571724135 /nfs/dbraw/zinc/72/41/35/571724135.db2.gz AFABHJVCBGYVHJ-UHFFFAOYSA-N 1 2 538.692 2.125 40 0 KEABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccc(OC(F)(F)F)cc4)C3)C2=O)cc1 ZINC000225383637 560044168 /nfs/dbraw/zinc/04/41/68/560044168.db2.gz XLVCQEVNCLVPGT-NQIIRXRSSA-N 1 2 505.493 2.152 40 0 biogenic,in-vitro KEABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cccc(OC(F)(F)F)c4)C3)C2=O)cc1 ZINC000225388516 560043971 /nfs/dbraw/zinc/04/39/71/560043971.db2.gz QDTHSYLRJGZHJJ-NQIIRXRSSA-N 1 2 505.493 2.152 40 0 biogenic,in-vitro KEABLO COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccc(C(F)(F)F)cc4)C3)C2=O)cc1 ZINC000225396409 560043614 /nfs/dbraw/zinc/04/36/14/560043614.db2.gz KDFBIGYJZADRJW-RTWAWAEBSA-N 1 2 517.504 2.051 40 0 biogenic,in-vitro KEABLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC000225482525 571852987 /nfs/dbraw/zinc/85/29/87/571852987.db2.gz UUNJVEZWMNTLLB-UHFFFAOYSA-N 1 2 534.704 2.279 40 0 KEABLO Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225491900 571861844 /nfs/dbraw/zinc/86/18/44/571861844.db2.gz ILTHHOIZWKGVLB-UHFFFAOYSA-N 1 2 538.667 2.110 40 0 KEABLO Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225508293 571879580 /nfs/dbraw/zinc/87/95/80/571879580.db2.gz UJVGUAIGXLADEH-UHFFFAOYSA-N 1 2 526.656 2.255 40 0 KEABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)C2)cc1 ZINC000225527166 571894046 /nfs/dbraw/zinc/89/40/46/571894046.db2.gz IYEYIYLCMCXZTN-OAQYLSRUSA-N 1 2 534.704 2.279 40 0 KEABLO Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225540194 571905404 /nfs/dbraw/zinc/90/54/04/571905404.db2.gz CKTKDJYJXCTTSV-LJQANCHMSA-N 1 2 538.667 2.110 40 0 KEABLO Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225540224 571905330 /nfs/dbraw/zinc/90/53/30/571905330.db2.gz CKTKDJYJXCTTSV-IBGZPJMESA-N 1 2 538.667 2.110 40 0 KEABLO Cc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225573384 571934426 /nfs/dbraw/zinc/93/44/26/571934426.db2.gz DFLFBFJBJBYPAT-UHFFFAOYSA-N 1 2 544.646 2.394 40 0 KEABLO CCn1c2ccc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)cc2sc1=O ZINC000225698343 572029926 /nfs/dbraw/zinc/02/99/26/572029926.db2.gz SXJOEEFUZGIXCA-UHFFFAOYSA-N 1 2 510.663 2.128 40 0 KEABLO COc1ccccc1N(CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000225839218 572075194 /nfs/dbraw/zinc/07/51/94/572075194.db2.gz OZGRGKYNOVWBEK-UHFFFAOYSA-N 1 2 538.692 2.125 40 0 KEABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225903546 572080914 /nfs/dbraw/zinc/08/09/14/572080914.db2.gz LOKOPUJBZXWJRL-UHFFFAOYSA-N 1 2 510.712 2.412 40 0 KEABLO Cn1cc[nH+]c1CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1 ZINC000253394204 572283736 /nfs/dbraw/zinc/28/37/36/572283736.db2.gz ASOYXVOSYCWJDT-TZKYFUQOSA-N 1 2 610.655 2.142 40 0 KEABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394212 572283734 /nfs/dbraw/zinc/28/37/34/572283734.db2.gz AWCJSICVEGKGDO-SDBGCZOPSA-N 1 2 634.652 2.489 40 0 KEABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394212 572283733 /nfs/dbraw/zinc/28/37/33/572283733.db2.gz AWCJSICVEGKGDO-SDBGCZOPSA-N 1 2 634.652 2.489 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@@H+](Cc5cccc(OC)c5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253394494 572283745 /nfs/dbraw/zinc/28/37/45/572283745.db2.gz BCPGNGOZAFESQW-BJBOMGFNSA-N 1 2 604.708 2.447 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](Cc5cccc(OC)c5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253394494 572283744 /nfs/dbraw/zinc/28/37/44/572283744.db2.gz BCPGNGOZAFESQW-BJBOMGFNSA-N 1 2 604.708 2.447 40 0 KEABLO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](Cc2ccccn2)CC3=O)CC1 ZINC000253394700 572283792 /nfs/dbraw/zinc/28/37/92/572283792.db2.gz BITZRYPPHXIUSB-OXOOYNAKSA-N 1 2 531.657 2.188 40 0 KEABLO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](Cc2ccccn2)CC3=O)CC1 ZINC000253394700 572283791 /nfs/dbraw/zinc/28/37/91/572283791.db2.gz BITZRYPPHXIUSB-OXOOYNAKSA-N 1 2 531.657 2.188 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253395952 572283908 /nfs/dbraw/zinc/28/39/08/572283908.db2.gz CULBTGKLWKGJQO-RBYFDUNASA-N 1 2 596.750 2.432 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253395952 572283907 /nfs/dbraw/zinc/28/39/07/572283907.db2.gz CULBTGKLWKGJQO-RBYFDUNASA-N 1 2 596.750 2.432 40 0 KEABLO COC(=O)c1ccc(C[N@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253396124 572284181 /nfs/dbraw/zinc/28/41/81/572284181.db2.gz DDJCYLXILMCRAQ-UTDCNRKPSA-N 1 2 617.703 2.008 40 0 KEABLO COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253396124 572284180 /nfs/dbraw/zinc/28/41/80/572284180.db2.gz DDJCYLXILMCRAQ-UTDCNRKPSA-N 1 2 617.703 2.008 40 0 KEABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccncc2F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253397074 572284342 /nfs/dbraw/zinc/28/43/42/572284342.db2.gz FIIHSPXKTPJRCO-ZMKPBNSHSA-N 1 2 575.634 2.063 40 0 KEABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccncc2F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253397074 572284341 /nfs/dbraw/zinc/28/43/41/572284341.db2.gz FIIHSPXKTPJRCO-ZMKPBNSHSA-N 1 2 575.634 2.063 40 0 KEABLO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000253397094 572284315 /nfs/dbraw/zinc/28/43/15/572284315.db2.gz FJCCCCQCGARXBJ-BJBOMGFNSA-N 1 2 635.791 2.186 40 0 KEABLO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000253397094 572284314 /nfs/dbraw/zinc/28/43/14/572284314.db2.gz FJCCCCQCGARXBJ-BJBOMGFNSA-N 1 2 635.791 2.186 40 0 KEABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397233 572284228 /nfs/dbraw/zinc/28/42/28/572284228.db2.gz FKNNRTBDBHPROO-PJGWKRMOSA-N 1 2 526.659 2.026 40 0 KEABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397233 572284226 /nfs/dbraw/zinc/28/42/26/572284226.db2.gz FKNNRTBDBHPROO-PJGWKRMOSA-N 1 2 526.659 2.026 40 0 KEABLO COc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253398693 572284422 /nfs/dbraw/zinc/28/44/22/572284422.db2.gz HIKCHKWOHCYHON-QZWXMGDUSA-N 1 2 620.747 2.380 40 0 KEABLO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253398693 572284421 /nfs/dbraw/zinc/28/44/21/572284421.db2.gz HIKCHKWOHCYHON-QZWXMGDUSA-N 1 2 620.747 2.380 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1cccnc1)CC2=O)N1CC[C@@H](O)C1 ZINC000253398694 572284467 /nfs/dbraw/zinc/28/44/67/572284467.db2.gz HIKHHWJIOPAUFL-RDIZGEPBSA-N 1 2 504.631 2.480 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1cccnc1)CC2=O)N1CC[C@@H](O)C1 ZINC000253398694 572284466 /nfs/dbraw/zinc/28/44/66/572284466.db2.gz HIKHHWJIOPAUFL-RDIZGEPBSA-N 1 2 504.631 2.480 40 0 KEABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253398786 572284514 /nfs/dbraw/zinc/28/45/14/572284514.db2.gz HMUUYRCTPMXNBB-CFJXPYFLSA-N 1 2 585.101 2.244 40 0 KEABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253398786 572284513 /nfs/dbraw/zinc/28/45/13/572284513.db2.gz HMUUYRCTPMXNBB-CFJXPYFLSA-N 1 2 585.101 2.244 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@@H+](Cc5cccs5)CCN4C3=O)O2)cn1 ZINC000253398873 572284714 /nfs/dbraw/zinc/28/47/14/572284714.db2.gz HTRGSUOBWAMQHH-GRAQQIFLSA-N 1 2 565.696 2.282 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@H+](Cc5cccs5)CCN4C3=O)O2)cn1 ZINC000253398873 572284713 /nfs/dbraw/zinc/28/47/13/572284713.db2.gz HTRGSUOBWAMQHH-GRAQQIFLSA-N 1 2 565.696 2.282 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@@H+](Cc5ccc6c(c5)OCO6)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253399054 572284615 /nfs/dbraw/zinc/28/46/15/572284615.db2.gz IBNXVEXGOBJSBJ-LFNVBFKESA-N 1 2 618.691 2.167 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](Cc5ccc6c(c5)OCO6)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253399054 572284614 /nfs/dbraw/zinc/28/46/14/572284614.db2.gz IBNXVEXGOBJSBJ-LFNVBFKESA-N 1 2 618.691 2.167 40 0 KEABLO COc1cccc(C[N@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253399294 572284620 /nfs/dbraw/zinc/28/46/20/572284620.db2.gz IUJHWZCBNYDCEW-CGQUYWBPSA-N 1 2 589.693 2.230 40 0 KEABLO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253399294 572284618 /nfs/dbraw/zinc/28/46/18/572284618.db2.gz IUJHWZCBNYDCEW-CGQUYWBPSA-N 1 2 589.693 2.230 40 0 KEABLO Cc1noc(C)c1C[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400176 572285013 /nfs/dbraw/zinc/28/50/13/572285013.db2.gz KWALWHWOQXAHNY-SDBGCZOPSA-N 1 2 582.702 2.141 40 0 KEABLO Cc1noc(C)c1C[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400176 572285012 /nfs/dbraw/zinc/28/50/12/572285012.db2.gz KWALWHWOQXAHNY-SDBGCZOPSA-N 1 2 582.702 2.141 40 0 KEABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]13)O2 ZINC000253400180 572285029 /nfs/dbraw/zinc/28/50/29/572285029.db2.gz KWIVRJBUQSDWEE-FUDKSRODSA-N 1 2 505.571 2.354 40 0 KEABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]13)O2 ZINC000253400180 572285028 /nfs/dbraw/zinc/28/50/28/572285028.db2.gz KWIVRJBUQSDWEE-FUDKSRODSA-N 1 2 505.571 2.354 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400588 572285053 /nfs/dbraw/zinc/28/50/53/572285053.db2.gz LKBRDYRIOSCJKR-FKIWKMFDSA-N 1 2 640.681 2.276 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400588 572285052 /nfs/dbraw/zinc/28/50/52/572285052.db2.gz LKBRDYRIOSCJKR-FKIWKMFDSA-N 1 2 640.681 2.276 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@@H+](Cc5ccccc5)CCN4C3=O)O2)cn1 ZINC000253400636 572285025 /nfs/dbraw/zinc/28/50/25/572285025.db2.gz LMIGZVVKGLOKNT-KEQINOFFSA-N 1 2 559.667 2.221 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@H+](Cc5ccccc5)CCN4C3=O)O2)cn1 ZINC000253400636 572285024 /nfs/dbraw/zinc/28/50/24/572285024.db2.gz LMIGZVVKGLOKNT-KEQINOFFSA-N 1 2 559.667 2.221 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@@H+](Cc5ccc(F)cc5)CCN4C3=O)O2)cn1 ZINC000253400850 572285217 /nfs/dbraw/zinc/28/52/17/572285217.db2.gz MBGXGQRCFSQWNC-KEQINOFFSA-N 1 2 577.657 2.360 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@H+](Cc5ccc(F)cc5)CCN4C3=O)O2)cn1 ZINC000253400850 572285215 /nfs/dbraw/zinc/28/52/15/572285215.db2.gz MBGXGQRCFSQWNC-KEQINOFFSA-N 1 2 577.657 2.360 40 0 KEABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253401287 572285124 /nfs/dbraw/zinc/28/51/24/572285124.db2.gz MRMDRTQKLBENMD-HJIIPFHSSA-N 1 2 686.814 2.083 40 0 KEABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253401287 572285123 /nfs/dbraw/zinc/28/51/23/572285123.db2.gz MRMDRTQKLBENMD-HJIIPFHSSA-N 1 2 686.814 2.083 40 0 KEABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253401471 572285400 /nfs/dbraw/zinc/28/54/00/572285400.db2.gz MZPWKMMABALEDG-ALJFMCDRSA-N 1 2 514.022 2.474 40 0 KEABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253401471 572285398 /nfs/dbraw/zinc/28/53/98/572285398.db2.gz MZPWKMMABALEDG-ALJFMCDRSA-N 1 2 514.022 2.474 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@@H+](Cc5ccsc5)CCN4C3=O)O2)cn1 ZINC000253402159 572285594 /nfs/dbraw/zinc/28/55/94/572285594.db2.gz NZRBGKJENMMMPU-WVAUJHLCSA-N 1 2 565.696 2.282 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[N@H+](Cc5ccsc5)CCN4C3=O)O2)cn1 ZINC000253402159 572285593 /nfs/dbraw/zinc/28/55/93/572285593.db2.gz NZRBGKJENMMMPU-WVAUJHLCSA-N 1 2 565.696 2.282 40 0 KEABLO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](Cc2cccnc2)CC3=O)CC1 ZINC000253402224 572285478 /nfs/dbraw/zinc/28/54/78/572285478.db2.gz OBHKGMZBGQIFBK-VZGCKZKVSA-N 1 2 531.657 2.188 40 0 KEABLO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](Cc2cccnc2)CC3=O)CC1 ZINC000253402224 572285476 /nfs/dbraw/zinc/28/54/76/572285476.db2.gz OBHKGMZBGQIFBK-VZGCKZKVSA-N 1 2 531.657 2.188 40 0 KEABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253402350 572285487 /nfs/dbraw/zinc/28/54/87/572285487.db2.gz ODTLWWJPMBRYAZ-DBBYKEMSSA-N 1 2 607.708 2.264 40 0 KEABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253402350 572285485 /nfs/dbraw/zinc/28/54/85/572285485.db2.gz ODTLWWJPMBRYAZ-DBBYKEMSSA-N 1 2 607.708 2.264 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253402820 572285450 /nfs/dbraw/zinc/28/54/50/572285450.db2.gz OVKMKPZTORMREP-GEMTWJNPSA-N 1 2 624.682 2.396 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253402820 572285448 /nfs/dbraw/zinc/28/54/48/572285448.db2.gz OVKMKPZTORMREP-GEMTWJNPSA-N 1 2 624.682 2.396 40 0 KEABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253402946 572285472 /nfs/dbraw/zinc/28/54/72/572285472.db2.gz PCGGWAJXJCITIX-AUXUOOQGSA-N 1 2 647.773 2.329 40 0 KEABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253402946 572285470 /nfs/dbraw/zinc/28/54/70/572285470.db2.gz PCGGWAJXJCITIX-AUXUOOQGSA-N 1 2 647.773 2.329 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253403443 572285668 /nfs/dbraw/zinc/28/56/68/572285668.db2.gz PWRWXOKQYNUKGF-AXWQWZDISA-N 1 2 634.730 2.100 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253403443 572285667 /nfs/dbraw/zinc/28/56/67/572285667.db2.gz PWRWXOKQYNUKGF-AXWQWZDISA-N 1 2 634.730 2.100 40 0 KEABLO Cn1cc(C[N@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cn1 ZINC000253404356 572285946 /nfs/dbraw/zinc/28/59/46/572285946.db2.gz QZCVNVZNDBMCIF-LUFNOOMBSA-N 1 2 610.655 2.142 40 0 KEABLO Cn1cc(C[N@@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cn1 ZINC000253404356 572285945 /nfs/dbraw/zinc/28/59/45/572285945.db2.gz QZCVNVZNDBMCIF-LUFNOOMBSA-N 1 2 610.655 2.142 40 0 KEABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253405136 572286093 /nfs/dbraw/zinc/28/60/93/572286093.db2.gz RVTMFJJPYRSPTQ-RKDXIHMYSA-N 1 2 620.751 2.494 40 0 KEABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253405136 572286092 /nfs/dbraw/zinc/28/60/92/572286092.db2.gz RVTMFJJPYRSPTQ-RKDXIHMYSA-N 1 2 620.751 2.494 40 0 KEABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253406442 572286524 /nfs/dbraw/zinc/28/65/24/572286524.db2.gz UMJRYCXEBKMOGN-FEVSWUGISA-N 1 2 526.659 2.026 40 0 KEABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253406442 572286523 /nfs/dbraw/zinc/28/65/23/572286523.db2.gz UMJRYCXEBKMOGN-FEVSWUGISA-N 1 2 526.659 2.026 40 0 KEABLO COc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253406667 572286411 /nfs/dbraw/zinc/28/64/11/572286411.db2.gz UVFUKSYLECEGPI-RCDAXMBGSA-N 1 2 659.788 2.133 40 0 KEABLO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253406667 572286408 /nfs/dbraw/zinc/28/64/08/572286408.db2.gz UVFUKSYLECEGPI-RCDAXMBGSA-N 1 2 659.788 2.133 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccncc1)CC2=O)N1CC[C@@H](O)C1 ZINC000253406819 572286490 /nfs/dbraw/zinc/28/64/90/572286490.db2.gz VAKABIHCHBPEMS-CKTJPLJKSA-N 1 2 504.631 2.480 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccncc1)CC2=O)N1CC[C@@H](O)C1 ZINC000253406819 572286489 /nfs/dbraw/zinc/28/64/89/572286489.db2.gz VAKABIHCHBPEMS-CKTJPLJKSA-N 1 2 504.631 2.480 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccn1)CC2=O)N1CC[C@@H](O)C1 ZINC000253407131 572286637 /nfs/dbraw/zinc/28/66/37/572286637.db2.gz VPQKHOWICCJVMA-VXNWIJQKSA-N 1 2 504.631 2.480 40 0 KEABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccn1)CC2=O)N1CC[C@@H](O)C1 ZINC000253407131 572286635 /nfs/dbraw/zinc/28/66/35/572286635.db2.gz VPQKHOWICCJVMA-VXNWIJQKSA-N 1 2 504.631 2.480 40 0 KEABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253407543 572286579 /nfs/dbraw/zinc/28/65/79/572286579.db2.gz WOQHAZPYTQDMAV-YQOCYVMFSA-N 1 2 616.719 2.179 40 0 KEABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253407543 572286577 /nfs/dbraw/zinc/28/65/77/572286577.db2.gz WOQHAZPYTQDMAV-YQOCYVMFSA-N 1 2 616.719 2.179 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@@H+](Cc5ccc(NC(C)=O)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253407996 572286851 /nfs/dbraw/zinc/28/68/51/572286851.db2.gz WZWOUCSZHIPVKE-CLWAWUJFSA-N 1 2 631.734 2.397 40 0 KEABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](Cc5ccc(NC(C)=O)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253407996 572286850 /nfs/dbraw/zinc/28/68/50/572286850.db2.gz WZWOUCSZHIPVKE-CLWAWUJFSA-N 1 2 631.734 2.397 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253408341 572286874 /nfs/dbraw/zinc/28/68/74/572286874.db2.gz XMNFPTZJTZHNKI-GEMTWJNPSA-N 1 2 591.130 2.031 40 0 KEABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253408341 572286873 /nfs/dbraw/zinc/28/68/73/572286873.db2.gz XMNFPTZJTZHNKI-GEMTWJNPSA-N 1 2 591.130 2.031 40 0 KEABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2ccccc21 ZINC000253408485 572287066 /nfs/dbraw/zinc/28/70/66/572287066.db2.gz XZPDLVMFTMQUBF-GJPCKUABSA-N 1 2 531.458 2.029 40 0 KEABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2ccccc21 ZINC000253408485 572287065 /nfs/dbraw/zinc/28/70/65/572287065.db2.gz XZPDLVMFTMQUBF-GJPCKUABSA-N 1 2 531.458 2.029 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253408554 572287077 /nfs/dbraw/zinc/28/70/77/572287077.db2.gz YCNAGCVCLZUGTC-JGDRUYDSSA-N 1 2 596.750 2.432 40 0 KEABLO O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1 ZINC000253408554 572287076 /nfs/dbraw/zinc/28/70/76/572287076.db2.gz YCNAGCVCLZUGTC-JGDRUYDSSA-N 1 2 596.750 2.432 40 0 KEABLO Cc1cc2[nH+]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[nH]c3=O)CO4)[nH]c2c(C)c1 ZINC000257202181 572306590 /nfs/dbraw/zinc/30/65/90/572306590.db2.gz AKUCNVHQIZIULM-KBMIEXCESA-N 1 2 513.570 2.288 40 0 KEABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)CO2 ZINC000257204131 572306698 /nfs/dbraw/zinc/30/66/98/572306698.db2.gz ATDLXKFMVKTJBS-FQRUVTKNSA-N 1 2 518.622 2.485 40 0 KEABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257204754 572306671 /nfs/dbraw/zinc/30/66/71/572306671.db2.gz AWELJOAGJGRSCJ-AHWVRZQESA-N 1 2 515.632 2.096 40 0 KEABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257204754 572306669 /nfs/dbraw/zinc/30/66/69/572306669.db2.gz AWELJOAGJGRSCJ-AHWVRZQESA-N 1 2 515.632 2.096 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2 ZINC000257210282 572307217 /nfs/dbraw/zinc/30/72/17/572307217.db2.gz BTYSVJXLNCIMIY-SIBVEZHUSA-N 1 2 533.637 2.238 40 0 KEABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)C2 ZINC000257212033 572307511 /nfs/dbraw/zinc/30/75/11/572307511.db2.gz CBPZAMWAIRNCLY-FQRUVTKNSA-N 1 2 518.622 2.342 40 0 KEABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2 ZINC000257214888 572307784 /nfs/dbraw/zinc/30/77/84/572307784.db2.gz CNWMWXSAGDWRLR-SIBVEZHUSA-N 1 2 533.637 2.067 40 0 KEABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)C2 ZINC000257217161 572307898 /nfs/dbraw/zinc/30/78/98/572307898.db2.gz CXUGQOZTBKWILU-QFQXNSOFSA-N 1 2 518.622 2.478 40 0 KEABLO Cc1cc2[nH+]c(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3nc(N)nc5N)[C@@](C)(O)CO4)[nH]c2c(C)c1 ZINC000257219017 572308172 /nfs/dbraw/zinc/30/81/72/572308172.db2.gz DFGOAVHGMKUNJD-QYBDOPJKSA-N 1 2 533.637 2.190 40 0 KEABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)CO2 ZINC000257224278 572308656 /nfs/dbraw/zinc/30/86/56/572308656.db2.gz FBCPAKHGVKNFKI-CJFMBICVSA-N 1 2 504.595 2.231 40 0 KEABLO Cc1cc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3nc(N)nc5N)CO4)[nH+]c2cc1C ZINC000257224465 572308598 /nfs/dbraw/zinc/30/85/98/572308598.db2.gz FBYIFXZLKQFOJN-NIYFSFCBSA-N 1 2 533.637 2.190 40 0 KEABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2 ZINC000257230803 572309378 /nfs/dbraw/zinc/30/93/78/572309378.db2.gz GDZUGCSQOCGUHE-SIBVEZHUSA-N 1 2 533.637 2.067 40 0 KEABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257242809 572310382 /nfs/dbraw/zinc/31/03/82/572310382.db2.gz IEFMMAIUWGZSNJ-UPVQGACJSA-N 1 2 524.039 2.204 40 0 KEABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257242809 572310381 /nfs/dbraw/zinc/31/03/81/572310381.db2.gz IEFMMAIUWGZSNJ-UPVQGACJSA-N 1 2 524.039 2.204 40 0 KEABLO Cc1[nH]c2cc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3ncnc5N)CO4)ccc2[nH+]1 ZINC000257249350 572310888 /nfs/dbraw/zinc/31/08/88/572310888.db2.gz JHVQCFFETLJHCB-CJFMBICVSA-N 1 2 504.595 2.300 40 0 KEABLO Cc1[nH]c2ccc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3ncnc5N)CO4)cc2[nH+]1 ZINC000257249350 572310887 /nfs/dbraw/zinc/31/08/87/572310887.db2.gz JHVQCFFETLJHCB-CJFMBICVSA-N 1 2 504.595 2.300 40 0 KEABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2 ZINC000257260563 572312125 /nfs/dbraw/zinc/31/21/25/572312125.db2.gz LDKBCAOFLRUZBD-FNZWTVRRSA-N 1 2 533.637 2.203 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](n2cnc3c2ncnc3N)[C@](C)(O)C[C@H](O)C1 ZINC000257261545 572312244 /nfs/dbraw/zinc/31/22/44/572312244.db2.gz LHUHXGQEUQJCPY-ADLZZSLISA-N 1 2 506.611 2.247 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1C[C@H](O)C[C@](C)(O)[C@@H](n2cnc3c2ncnc3N)C1 ZINC000257261546 572312205 /nfs/dbraw/zinc/31/22/05/572312205.db2.gz LHUHXGQEUQJCPY-FHLBMDLUSA-N 1 2 506.611 2.247 40 0 KEABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(=O)[nH]c1=O)CO2 ZINC000257282606 572314080 /nfs/dbraw/zinc/31/40/80/572314080.db2.gz OULZSNBYCCPLPD-PXDATVDWSA-N 1 2 513.570 2.137 40 0 KEABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(=O)[nH]c1=O)CO2 ZINC000257284501 572314343 /nfs/dbraw/zinc/31/43/43/572314343.db2.gz PCXSFWYPCOAVSA-CJFMBICVSA-N 1 2 513.570 2.164 40 0 KEABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)CO2 ZINC000257297608 572315616 /nfs/dbraw/zinc/31/56/16/572315616.db2.gz RIBHOMDIUKHAKL-QFQXNSOFSA-N 1 2 518.622 2.457 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2 ZINC000257297870 572315594 /nfs/dbraw/zinc/31/55/94/572315594.db2.gz RJCSGRNRAQRSBW-WVXBCFDCSA-N 1 2 591.713 2.461 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(=O)[nH]c1=O)CO2 ZINC000257298673 572315652 /nfs/dbraw/zinc/31/56/52/572315652.db2.gz RMVHIZPQUWYEID-CJFMBICVSA-N 1 2 513.570 2.335 40 0 KEABLO Cc1cc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3nc(N)nc5N)[C@@](C)(O)CO4)[nH+]c2cc1C ZINC000257299205 572315830 /nfs/dbraw/zinc/31/58/30/572315830.db2.gz RPCWJLFVXIYODD-SIBVEZHUSA-N 1 2 533.637 2.190 40 0 KEABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257313560 572317138 /nfs/dbraw/zinc/31/71/38/572317138.db2.gz UTEMIHSYUOFABK-JHOBJCJYSA-N 1 2 591.713 2.461 40 0 KEABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1nc(N)nc3N)CO2 ZINC000257317174 572317525 /nfs/dbraw/zinc/31/75/25/572317525.db2.gz VIRKOOGCGNHBKG-NFQMXDRXSA-N 1 2 547.664 2.313 40 0 KEABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000257326738 572318490 /nfs/dbraw/zinc/31/84/90/572318490.db2.gz WYKSDSSKYHLJOX-UHFFFAOYSA-N 1 2 526.725 2.326 40 0 KEABLO Cc1cc2[nH+]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3nc(N)nc5N)CO4)[nH]c2c(C)c1 ZINC000257328607 572318764 /nfs/dbraw/zinc/31/87/64/572318764.db2.gz XGKGECIFASSDCX-WXTAPIANSA-N 1 2 533.637 2.190 40 0 KEABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)C1 ZINC000257331966 572319081 /nfs/dbraw/zinc/31/90/81/572319081.db2.gz XVDIHNRAKDVWFK-UHFFFAOYSA-N 1 2 584.805 2.446 40 0 KEABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC000257343533 572320214 /nfs/dbraw/zinc/32/02/14/572320214.db2.gz ZTJGEJFZVBVZEY-UHFFFAOYSA-N 1 2 526.725 2.326 40 0 KEABLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)C2)cc1 ZINC000260897533 571816611 /nfs/dbraw/zinc/81/66/11/571816611.db2.gz IYEYIYLCMCXZTN-NRFANRHFSA-N 1 2 534.704 2.279 40 0 KEABLO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408535805 572189770 /nfs/dbraw/zinc/18/97/70/572189770.db2.gz WQFWDLFFXLBICZ-UHFFFAOYSA-N 1 2 501.605 2.231 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1OC ZINC000408556955 572244434 /nfs/dbraw/zinc/24/44/34/572244434.db2.gz FMUZJDBLFOGYAB-FQEVSTJZSA-N 1 2 531.631 2.178 40 0 KEABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1OC ZINC000408556957 572244520 /nfs/dbraw/zinc/24/45/20/572244520.db2.gz FMUZJDBLFOGYAB-HXUWFJFHSA-N 1 2 531.631 2.178 40 0 KEABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000408557266 572244761 /nfs/dbraw/zinc/24/47/61/572244761.db2.gz GDNIJQIPJIHAES-FQEVSTJZSA-N 1 2 531.631 2.178 40 0 KEABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000408557267 572244636 /nfs/dbraw/zinc/24/46/36/572244636.db2.gz GDNIJQIPJIHAES-HXUWFJFHSA-N 1 2 531.631 2.178 40 0 KEABLO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000408558872 572246141 /nfs/dbraw/zinc/24/61/41/572246141.db2.gz UFFOZQUTDLCNCS-UHFFFAOYSA-N 1 2 510.012 2.480 40 0 KEABLO Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408575689 572260640 /nfs/dbraw/zinc/26/06/40/572260640.db2.gz FIQGFIJZNSZWNB-IBGZPJMESA-N 1 2 515.010 2.467 40 0 KEABLO Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408575692 572260658 /nfs/dbraw/zinc/26/06/58/572260658.db2.gz FIQGFIJZNSZWNB-LJQANCHMSA-N 1 2 515.010 2.467 40 0 KEABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408577634 572262191 /nfs/dbraw/zinc/26/21/91/572262191.db2.gz IUSDAPSJCCZFAX-GOSISDBHSA-N 1 2 500.983 2.159 40 0 KEABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408577641 572262277 /nfs/dbraw/zinc/26/22/77/572262277.db2.gz IUSDAPSJCCZFAX-SFHVURJKSA-N 1 2 500.983 2.159 40 0 KEABLO Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577719 572262347 /nfs/dbraw/zinc/26/23/47/572262347.db2.gz JBKSVQHHZDSKAH-IBGZPJMESA-N 1 2 515.010 2.467 40 0 KEABLO Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577721 572262325 /nfs/dbraw/zinc/26/23/25/572262325.db2.gz JBKSVQHHZDSKAH-LJQANCHMSA-N 1 2 515.010 2.467 40 0 KEABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580537 572264265 /nfs/dbraw/zinc/26/42/65/572264265.db2.gz REZBGQYUAMZALR-GOSISDBHSA-N 1 2 545.434 2.268 40 0 KEABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580539 572264223 /nfs/dbraw/zinc/26/42/23/572264223.db2.gz REZBGQYUAMZALR-SFHVURJKSA-N 1 2 545.434 2.268 40 0 KEABLO Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408581388 572264390 /nfs/dbraw/zinc/26/43/90/572264390.db2.gz SSPLINWPNWTCME-JOCHJYFZSA-N 1 2 508.619 2.431 40 0 KEABLO Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)c(C)c1 ZINC000408581389 572264380 /nfs/dbraw/zinc/26/43/80/572264380.db2.gz SSPLINWPNWTCME-QFIPXVFZSA-N 1 2 508.619 2.431 40 0 KEABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000408581402 572264439 /nfs/dbraw/zinc/26/44/39/572264439.db2.gz SWVNUTGNVJUWAG-GOSISDBHSA-N 1 2 500.983 2.159 40 0 KEABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000408581403 572264488 /nfs/dbraw/zinc/26/44/88/572264488.db2.gz SWVNUTGNVJUWAG-SFHVURJKSA-N 1 2 500.983 2.159 40 0 KEABLO Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408582753 572265064 /nfs/dbraw/zinc/26/50/64/572265064.db2.gz XJCPBVGZEVNOOA-IBGZPJMESA-N 1 2 515.010 2.467 40 0 KEABLO Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)cc1Cl ZINC000408582754 572265079 /nfs/dbraw/zinc/26/50/79/572265079.db2.gz XJCPBVGZEVNOOA-LJQANCHMSA-N 1 2 515.010 2.467 40 0 KEABLO CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408583142 572265205 /nfs/dbraw/zinc/26/52/05/572265205.db2.gz ZBIWZJGUIYOVHA-JOCHJYFZSA-N 1 2 508.619 2.376 40 0 KEABLO CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408583145 572265185 /nfs/dbraw/zinc/26/51/85/572265185.db2.gz ZBIWZJGUIYOVHA-QFIPXVFZSA-N 1 2 508.619 2.376 40 0 KEABLO COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1OC ZINC000408598068 572271917 /nfs/dbraw/zinc/27/19/17/572271917.db2.gz ZGXWEOWXLAUGNY-UHFFFAOYSA-N 1 2 502.593 2.007 40 0 KEABLO Cc1ccc(CN(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408617444 572279515 /nfs/dbraw/zinc/27/95/15/572279515.db2.gz BCGUDIOJQGVEIY-UHFFFAOYSA-N 1 2 510.454 2.397 40 0 KEABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCC[NH+]1CCOCC1 ZINC000408618299 572280082 /nfs/dbraw/zinc/28/00/82/572280082.db2.gz FYSDWLLCNFCAAS-UHFFFAOYSA-N 1 2 510.454 2.131 40 0 KEABLO COc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408619517 572280710 /nfs/dbraw/zinc/28/07/10/572280710.db2.gz IFZNITSFWZNMJE-UHFFFAOYSA-N 1 2 512.028 2.309 40 0 KEABLO CCOc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408620120 572280907 /nfs/dbraw/zinc/28/09/07/572280907.db2.gz NAILARSDNJHTRE-UHFFFAOYSA-N 1 2 526.453 2.492 40 0 KEABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Cc1ccc(Br)cc1 ZINC000408625667 572283477 /nfs/dbraw/zinc/28/34/77/572283477.db2.gz WTEJWVICFANCTH-UHFFFAOYSA-N 1 2 524.437 2.284 40 0 KEABLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000408625864 572283586 /nfs/dbraw/zinc/28/35/86/572283586.db2.gz UKUSADZSJNGQTB-INIZCTEOSA-N 1 2 510.012 2.479 40 0 KEABLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000408625871 572283573 /nfs/dbraw/zinc/28/35/73/572283573.db2.gz UKUSADZSJNGQTB-MRXNPFEDSA-N 1 2 510.012 2.479 40 0 KEABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccc(Br)cc2)cc1 ZINC000408626438 572284008 /nfs/dbraw/zinc/28/40/08/572284008.db2.gz YWQPNWVAXLBNAN-UHFFFAOYSA-N 1 2 510.454 2.397 40 0 KEABLO O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408678974 572320193 /nfs/dbraw/zinc/32/01/93/572320193.db2.gz GWGNFYSLICDKOR-UHFFFAOYSA-N 1 2 503.596 2.441 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](C[N@H+]4Cc4ccccc4)NC3=O)O2)cn1 ZINC000514287512 1066385232 /nfs/dbraw/zinc/38/52/32/1066385232.db2.gz HQRUQKQIXWYCOJ-INWNYEGYSA-N 1 2 559.667 2.267 40 0 KEABLO Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](C[N@@H+]4Cc4ccccc4)NC3=O)O2)cn1 ZINC000514287512 1066385216 /nfs/dbraw/zinc/38/52/16/1066385216.db2.gz HQRUQKQIXWYCOJ-INWNYEGYSA-N 1 2 559.667 2.267 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273360 1066221077 /nfs/dbraw/zinc/22/10/77/1066221077.db2.gz CWBXHWPXAYZMCK-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273360 1066221064 /nfs/dbraw/zinc/22/10/64/1066221064.db2.gz CWBXHWPXAYZMCK-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273361 1066221314 /nfs/dbraw/zinc/22/13/14/1066221314.db2.gz CWBXHWPXAYZMCK-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273361 1066221304 /nfs/dbraw/zinc/22/13/04/1066221304.db2.gz CWBXHWPXAYZMCK-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585274184 1066220041 /nfs/dbraw/zinc/22/00/41/1066220041.db2.gz XGVCKQMRMWIJCE-MUUNZHRXSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585274184 1066220036 /nfs/dbraw/zinc/22/00/36/1066220036.db2.gz XGVCKQMRMWIJCE-MUUNZHRXSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585274186 1066220561 /nfs/dbraw/zinc/22/05/61/1066220561.db2.gz XGVCKQMRMWIJCE-NDEPHWFRSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585274186 1066220552 /nfs/dbraw/zinc/22/05/52/1066220552.db2.gz XGVCKQMRMWIJCE-NDEPHWFRSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274609 1066220448 /nfs/dbraw/zinc/22/04/48/1066220448.db2.gz LKTHJHGBBTUUIX-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274609 1066220445 /nfs/dbraw/zinc/22/04/45/1066220445.db2.gz LKTHJHGBBTUUIX-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274610 1066220350 /nfs/dbraw/zinc/22/03/50/1066220350.db2.gz LKTHJHGBBTUUIX-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274610 1066220340 /nfs/dbraw/zinc/22/03/40/1066220340.db2.gz LKTHJHGBBTUUIX-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274690 1066220422 /nfs/dbraw/zinc/22/04/22/1066220422.db2.gz MBBUQVBWTDIRMX-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274690 1066220413 /nfs/dbraw/zinc/22/04/13/1066220413.db2.gz MBBUQVBWTDIRMX-MUUNZHRXSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274694 1066220526 /nfs/dbraw/zinc/22/05/26/1066220526.db2.gz MBBUQVBWTDIRMX-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274694 1066220510 /nfs/dbraw/zinc/22/05/10/1066220510.db2.gz MBBUQVBWTDIRMX-NDEPHWFRSA-N 1 2 560.598 2.350 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585279572 1066205869 /nfs/dbraw/zinc/20/58/69/1066205869.db2.gz DFEPDJLPEFNQQB-MUUNZHRXSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585279572 1066205861 /nfs/dbraw/zinc/20/58/61/1066205861.db2.gz DFEPDJLPEFNQQB-MUUNZHRXSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279573 1066223044 /nfs/dbraw/zinc/22/30/44/1066223044.db2.gz DFEPDJLPEFNQQB-NDEPHWFRSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279573 1066223028 /nfs/dbraw/zinc/22/30/28/1066223028.db2.gz DFEPDJLPEFNQQB-NDEPHWFRSA-N 1 2 524.618 2.071 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585279755 1066223282 /nfs/dbraw/zinc/22/32/82/1066223282.db2.gz GSTRRAGTVSJVMK-GDLZYMKVSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585279755 1066223275 /nfs/dbraw/zinc/22/32/75/1066223275.db2.gz GSTRRAGTVSJVMK-GDLZYMKVSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279756 1066223003 /nfs/dbraw/zinc/22/30/03/1066223003.db2.gz GSTRRAGTVSJVMK-LJAQVGFWSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279756 1066222995 /nfs/dbraw/zinc/22/29/95/1066222995.db2.gz GSTRRAGTVSJVMK-LJAQVGFWSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585280671 1066221954 /nfs/dbraw/zinc/22/19/54/1066221954.db2.gz QVLNZPSJFBJICF-GDLZYMKVSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585280671 1066221938 /nfs/dbraw/zinc/22/19/38/1066221938.db2.gz QVLNZPSJFBJICF-GDLZYMKVSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280672 1066221738 /nfs/dbraw/zinc/22/17/38/1066221738.db2.gz QVLNZPSJFBJICF-LJAQVGFWSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280672 1066221716 /nfs/dbraw/zinc/22/17/16/1066221716.db2.gz QVLNZPSJFBJICF-LJAQVGFWSA-N 1 2 538.645 2.380 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585280977 1066221812 /nfs/dbraw/zinc/22/18/12/1066221812.db2.gz URTAJHMHUODVDI-GDLZYMKVSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585280977 1066221802 /nfs/dbraw/zinc/22/18/02/1066221802.db2.gz URTAJHMHUODVDI-GDLZYMKVSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280979 1066221852 /nfs/dbraw/zinc/22/18/52/1066221852.db2.gz URTAJHMHUODVDI-LJAQVGFWSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585280979 1066221835 /nfs/dbraw/zinc/22/18/35/1066221835.db2.gz URTAJHMHUODVDI-LJAQVGFWSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585281048 1066222790 /nfs/dbraw/zinc/22/27/90/1066222790.db2.gz VUFVEIOTWUDNDS-GDLZYMKVSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585281048 1066222774 /nfs/dbraw/zinc/22/27/74/1066222774.db2.gz VUFVEIOTWUDNDS-GDLZYMKVSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281049 1066224142 /nfs/dbraw/zinc/22/41/42/1066224142.db2.gz VUFVEIOTWUDNDS-LJAQVGFWSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281049 1066224128 /nfs/dbraw/zinc/22/41/28/1066224128.db2.gz VUFVEIOTWUDNDS-LJAQVGFWSA-N 1 2 538.645 2.462 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281724 1066223154 /nfs/dbraw/zinc/22/31/54/1066223154.db2.gz QGYIOYYJXDCHLK-PMERELPUSA-N 1 2 591.652 2.465 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281724 1066223142 /nfs/dbraw/zinc/22/31/42/1066223142.db2.gz QGYIOYYJXDCHLK-PMERELPUSA-N 1 2 591.652 2.465 40 0 KEABLO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281725 1066223439 /nfs/dbraw/zinc/22/34/39/1066223439.db2.gz QGYIOYYJXDCHLK-SSEXGKCCSA-N 1 2 591.652 2.465 40 0 KEABLO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281725 1066223429 /nfs/dbraw/zinc/22/34/29/1066223429.db2.gz QGYIOYYJXDCHLK-SSEXGKCCSA-N 1 2 591.652 2.465 40 0 KEABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4Cl)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612070 1066431935 /nfs/dbraw/zinc/43/19/35/1066431935.db2.gz FMPAGQVKTHDOFB-RELGLDOUSA-N 1 2 577.147 2.282 40 0 KEABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4Cl)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612070 1066431933 /nfs/dbraw/zinc/43/19/33/1066431933.db2.gz FMPAGQVKTHDOFB-RELGLDOUSA-N 1 2 577.147 2.282 40 0 KEABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612070 1066431930 /nfs/dbraw/zinc/43/19/30/1066431930.db2.gz FMPAGQVKTHDOFB-RELGLDOUSA-N 1 2 577.147 2.282 40 0 KEABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612070 1066431920 /nfs/dbraw/zinc/43/19/20/1066431920.db2.gz FMPAGQVKTHDOFB-RELGLDOUSA-N 1 2 577.147 2.282 40 0 KEABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC001534612762 1066431955 /nfs/dbraw/zinc/43/19/55/1066431955.db2.gz KHJFJIBWVXZMGT-PWWKTKHKSA-N 1 2 536.094 2.450 40 0 KEABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC001534612762 1066431949 /nfs/dbraw/zinc/43/19/49/1066431949.db2.gz KHJFJIBWVXZMGT-PWWKTKHKSA-N 1 2 536.094 2.450 40 0 KEABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC001534612762 1066431946 /nfs/dbraw/zinc/43/19/46/1066431946.db2.gz KHJFJIBWVXZMGT-PWWKTKHKSA-N 1 2 536.094 2.450 40 0 KEABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC001534612762 1066431942 /nfs/dbraw/zinc/43/19/42/1066431942.db2.gz KHJFJIBWVXZMGT-PWWKTKHKSA-N 1 2 536.094 2.450 40 0 KEABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4c(C)noc4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612825 1066431966 /nfs/dbraw/zinc/43/19/66/1066431966.db2.gz LXSFMPXZSDQEPH-NZJKTDFXSA-N 1 2 542.658 2.183 40 0 KEABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4c(C)noc4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612825 1066431963 /nfs/dbraw/zinc/43/19/63/1066431963.db2.gz LXSFMPXZSDQEPH-NZJKTDFXSA-N 1 2 542.658 2.183 40 0 KEABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001534613059 1066432158 /nfs/dbraw/zinc/43/21/58/1066432158.db2.gz OHAHAVLVKKZPSP-PWWKTKHKSA-N 1 2 512.607 2.104 40 0 KEABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001534613059 1066432149 /nfs/dbraw/zinc/43/21/49/1066432149.db2.gz OHAHAVLVKKZPSP-PWWKTKHKSA-N 1 2 512.607 2.104 40 0 KEABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC001534613059 1066432139 /nfs/dbraw/zinc/43/21/39/1066432139.db2.gz OHAHAVLVKKZPSP-PWWKTKHKSA-N 1 2 512.607 2.104 40 0 KEABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC001534613059 1066432128 /nfs/dbraw/zinc/43/21/28/1066432128.db2.gz OHAHAVLVKKZPSP-PWWKTKHKSA-N 1 2 512.607 2.104 40 0 KEABLO CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCn1cc[nH+]c1)[C@@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547212374 1066434329 /nfs/dbraw/zinc/43/43/29/1066434329.db2.gz AAJHCIGYCZMNGR-FVXYUFHJSA-N 1 2 500.603 2.374 40 0 KEABLO CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCn1cc[nH+]c1)[C@@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547212375 1066434245 /nfs/dbraw/zinc/43/42/45/1066434245.db2.gz AAJHCIGYCZMNGR-HGXGVQFASA-N 1 2 500.603 2.374 40 0 KEABLO CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCn1cc[nH+]c1)[C@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547212376 1066434215 /nfs/dbraw/zinc/43/42/15/1066434215.db2.gz AAJHCIGYCZMNGR-HWRXOPEZSA-N 1 2 500.603 2.374 40 0 KEABLO CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCn1cc[nH+]c1)[C@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547212377 1066434255 /nfs/dbraw/zinc/43/42/55/1066434255.db2.gz AAJHCIGYCZMNGR-KKBCGBJISA-N 1 2 500.603 2.374 40 0 KEABLO O=C1NC2(CC[NH+](Cc3nccs3)CC2)CCOc2cc(-c3cccnc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548888960 1066434259 /nfs/dbraw/zinc/43/42/59/1066434259.db2.gz DHWVTIGYXKAQAA-YADHBBJMSA-N 1 2 569.709 2.263 40 0 KEABLO O=C1NC2(CC[NH+](Cc3nccs3)CC2)CCOc2cc(C3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548888993 1066434297 /nfs/dbraw/zinc/43/42/97/1066434297.db2.gz DRCAHXLKEFPTSL-YADHBBJMSA-N 1 2 576.741 2.095 40 0 KEABLO CC(C)c1ccc2c(c1)OCCC1(CC[NH+](Cc3nccs3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548889728 1066435138 /nfs/dbraw/zinc/43/51/38/1066435138.db2.gz JZVWFIUFEAOHTL-UXHICEINSA-N 1 2 534.704 2.324 40 0 KEABLO Cn1ccnc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890343 1066435731 /nfs/dbraw/zinc/43/57/31/1066435731.db2.gz OKYYAALACIBFGS-QPPBQGQZSA-N 1 2 601.676 2.423 40 0 KEABLO Cn1ccnc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890544 1066435865 /nfs/dbraw/zinc/43/58/65/1066435865.db2.gz SERLUXVCIOPHQI-RPWUZVMVSA-N 1 2 565.696 2.145 40 0 KEABLO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4nccn4C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548891302 1066436558 /nfs/dbraw/zinc/43/65/58/1066436558.db2.gz ZGWMYCZONLMHOP-NOZRDPDXSA-N 1 2 595.722 2.153 40 0 KEABLO