smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000013556671 561718633 /nfs/dbraw/zinc/71/86/33/561718633.db2.gz HIIKXMZYHWRDDX-ZEQRLZLVSA-N -1 2 533.562 2.703 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000013556671 561718632 /nfs/dbraw/zinc/71/86/32/561718632.db2.gz HIIKXMZYHWRDDX-ZEQRLZLVSA-N -1 2 533.562 2.703 1 0 KFAFLM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)[NH2+]CC(=O)N(CCCC(=O)[O-])c3ccccc32)n1 ZINC000013561044 561719825 /nfs/dbraw/zinc/71/98/25/561719825.db2.gz BYBPPGGQNVVISN-SQHAQQRYSA-N -1 2 504.543 2.670 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013760672 561727604 /nfs/dbraw/zinc/72/76/04/561727604.db2.gz IRGJDPZJEUYSKS-LAUBAEHRSA-N -1 2 521.478 2.946 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013760673 561727598 /nfs/dbraw/zinc/72/75/98/561727598.db2.gz IRGJDPZJEUYSKS-UWJYYQICSA-N -1 2 521.478 2.946 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013760674 561727638 /nfs/dbraw/zinc/72/76/38/561727638.db2.gz IRGJDPZJEUYSKS-DYESRHJHSA-N -1 2 521.478 2.946 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000013760675 561727617 /nfs/dbraw/zinc/72/76/17/561727617.db2.gz IRGJDPZJEUYSKS-UTKZUKDTSA-N -1 2 521.478 2.946 1 0 KFAFLM O=C([O-])COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944150 561742088 /nfs/dbraw/zinc/74/20/88/561742088.db2.gz FSPDDRAYNYPNIF-DYESRHJHSA-N -1 2 551.504 2.711 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000014944788 561742590 /nfs/dbraw/zinc/74/25/90/561742590.db2.gz AJQJVJBKVFYLBU-PMACEKPBSA-N -1 2 614.379 2.609 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000014944788 561742589 /nfs/dbraw/zinc/74/25/89/561742589.db2.gz AJQJVJBKVFYLBU-PMACEKPBSA-N -1 2 614.379 2.609 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944796 561742576 /nfs/dbraw/zinc/74/25/76/561742576.db2.gz ZPQPAIMZJIHQMX-DJJJIMSYSA-N -1 2 522.882 2.710 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944796 561742575 /nfs/dbraw/zinc/74/25/75/561742575.db2.gz ZPQPAIMZJIHQMX-DJJJIMSYSA-N -1 2 522.882 2.710 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Br)cc2)no1 ZINC000014944800 561742596 /nfs/dbraw/zinc/74/25/96/561742596.db2.gz ZYLCKOXAOKBGSU-DJJJIMSYSA-N -1 2 567.333 2.819 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Br)cc2)no1 ZINC000014944800 561742594 /nfs/dbraw/zinc/74/25/94/561742594.db2.gz ZYLCKOXAOKBGSU-DJJJIMSYSA-N -1 2 567.333 2.819 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2cccc(Cl)c2)no1 ZINC000014944802 561742546 /nfs/dbraw/zinc/74/25/46/561742546.db2.gz HTWNQOJKTHDFKD-DJJJIMSYSA-N -1 2 522.882 2.710 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2cccc(Cl)c2)no1 ZINC000014944802 561742544 /nfs/dbraw/zinc/74/25/44/561742544.db2.gz HTWNQOJKTHDFKD-DJJJIMSYSA-N -1 2 522.882 2.710 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(I)cc2)no1 ZINC000014944804 561742630 /nfs/dbraw/zinc/74/26/30/561742630.db2.gz PKVBLMYLERPGLI-DJJJIMSYSA-N -1 2 614.333 2.661 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(I)cc2)no1 ZINC000014944804 561742629 /nfs/dbraw/zinc/74/26/29/561742629.db2.gz PKVBLMYLERPGLI-DJJJIMSYSA-N -1 2 614.333 2.661 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944810 561742637 /nfs/dbraw/zinc/74/26/37/561742637.db2.gz IBEJTPIBRTVDAR-SFHVURJKSA-N -1 2 542.407 2.514 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944810 561742634 /nfs/dbraw/zinc/74/26/34/561742634.db2.gz IBEJTPIBRTVDAR-SFHVURJKSA-N -1 2 542.407 2.514 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944812 561742761 /nfs/dbraw/zinc/74/27/61/561742761.db2.gz ITJVFFJIFZONRZ-IBGZPJMESA-N -1 2 556.434 2.557 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944812 561742759 /nfs/dbraw/zinc/74/27/59/561742759.db2.gz ITJVFFJIFZONRZ-IBGZPJMESA-N -1 2 556.434 2.557 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944826 561742698 /nfs/dbraw/zinc/74/26/98/561742698.db2.gz HKOHWDTYCZDWEW-PMACEKPBSA-N -1 2 614.379 2.609 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944826 561742696 /nfs/dbraw/zinc/74/26/96/561742696.db2.gz HKOHWDTYCZDWEW-PMACEKPBSA-N -1 2 614.379 2.609 1 0 KFAFLM O=c1c2c(O)c(I)c([O-])c(I)c2ncn1-c1ccc(O)cc1 ZINC000014972377 561751492 /nfs/dbraw/zinc/75/14/92/561751492.db2.gz MEXVQMNBNLSCCA-UHFFFAOYSA-N -1 2 522.036 2.712 1 0 KFAFLM O=c1c2c([O-])c(I)c(O)c(I)c2ncn1-c1ccc(O)cc1 ZINC000014972377 561751491 /nfs/dbraw/zinc/75/14/91/561751491.db2.gz MEXVQMNBNLSCCA-UHFFFAOYSA-N -1 2 522.036 2.712 1 0 KFAFLM CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000014976320 561752298 /nfs/dbraw/zinc/75/22/98/561752298.db2.gz OPZQQVHHLPJGAP-YGOYIFOWSA-N -1 2 559.560 2.814 1 0 KFAFLM CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000014976320 561752297 /nfs/dbraw/zinc/75/22/97/561752297.db2.gz OPZQQVHHLPJGAP-YGOYIFOWSA-N -1 2 559.560 2.814 1 0 KFAFLM CCCCn1c2[nH]c(Cc3ccc([N-]S(=O)(=O)c4cn(C)cn4)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000016052078 561753877 /nfs/dbraw/zinc/75/38/77/561753877.db2.gz OWJCXBGUTOMZTE-UHFFFAOYSA-N -1 2 565.631 2.999 1 0 in-vitro KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(C(=O)c3ccccc3)c2)C1=O ZINC000026252684 561774398 /nfs/dbraw/zinc/77/43/98/561774398.db2.gz RXSVMRHSEAZCKF-SVBPBHIXSA-N -1 2 625.640 2.697 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(C(=O)c3ccccc3)c2)C1=O ZINC000026252684 561774396 /nfs/dbraw/zinc/77/43/96/561774396.db2.gz RXSVMRHSEAZCKF-SVBPBHIXSA-N -1 2 625.640 2.697 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCOC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026265783 561776227 /nfs/dbraw/zinc/77/62/27/561776227.db2.gz FYHDYXSOJZTOJN-PGRDOPGGSA-N -1 2 551.504 2.573 1 0 KFAFLM COc1cccc(C(=O)N[C@@H]2[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282340 561779228 /nfs/dbraw/zinc/77/92/28/561779228.db2.gz WCJVICQJLSYOTE-DASJEBLGSA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@@H]2[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282340 561779226 /nfs/dbraw/zinc/77/92/26/561779226.db2.gz WCJVICQJLSYOTE-DASJEBLGSA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282348 561779244 /nfs/dbraw/zinc/77/92/44/561779244.db2.gz WCJVICQJLSYOTE-RMBNGAEESA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282348 561779242 /nfs/dbraw/zinc/77/92/42/561779242.db2.gz WCJVICQJLSYOTE-RMBNGAEESA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO[P@](=O)([O-])O)[C@H]2O)c1 ZINC000026282354 561779291 /nfs/dbraw/zinc/77/92/91/561779291.db2.gz WCJVICQJLSYOTE-BYHVZLFPSA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO[P@@](=O)([O-])O)[C@H]2O)c1 ZINC000026282354 561779289 /nfs/dbraw/zinc/77/92/89/561779289.db2.gz WCJVICQJLSYOTE-BYHVZLFPSA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO[P@](=O)([O-])O)[C@H]2O)c1 ZINC000026282360 561779238 /nfs/dbraw/zinc/77/92/38/561779238.db2.gz WCJVICQJLSYOTE-WJCHFDDQSA-N -1 2 620.559 2.766 1 0 KFAFLM COc1cccc(C(=O)N[C@@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO[P@@](=O)([O-])O)[C@H]2O)c1 ZINC000026282360 561779236 /nfs/dbraw/zinc/77/92/36/561779236.db2.gz WCJVICQJLSYOTE-WJCHFDDQSA-N -1 2 620.559 2.766 1 0 KFAFLM CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c([P@](=O)([O-])O)c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026387931 561784919 /nfs/dbraw/zinc/78/49/19/561784919.db2.gz DWNWEWCPDNAGAA-UHFFFAOYSA-N -1 2 600.613 2.555 1 0 KFAFLM CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c([P@@](=O)([O-])O)c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026387931 561784918 /nfs/dbraw/zinc/78/49/18/561784918.db2.gz DWNWEWCPDNAGAA-UHFFFAOYSA-N -1 2 600.613 2.555 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026402763 561788816 /nfs/dbraw/zinc/78/88/16/561788816.db2.gz FYHDYXSOJZTOJN-XMSQKQJNSA-N -1 2 551.504 2.573 1 0 KFAFLM CC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026403585 561789081 /nfs/dbraw/zinc/78/90/81/561789081.db2.gz CEMBEUHBOHDWPN-NFHUAXAMSA-N -1 2 563.515 2.761 1 0 KFAFLM CC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026403590 561789047 /nfs/dbraw/zinc/78/90/47/561789047.db2.gz CEMBEUHBOHDWPN-FCORRRHLSA-N -1 2 563.515 2.761 1 0 KFAFLM O=C([O-])CCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 ZINC000026575627 561799421 /nfs/dbraw/zinc/79/94/21/561799421.db2.gz QVIPDSYCCPJOOX-IDUDEYGOSA-N -1 2 531.590 2.668 1 0 KFAFLM O=C([O-])COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026579430 561804638 /nfs/dbraw/zinc/80/46/38/561804638.db2.gz FSPDDRAYNYPNIF-LAUBAEHRSA-N -1 2 551.504 2.711 1 0 KFAFLM O=C([O-])COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026579431 561804685 /nfs/dbraw/zinc/80/46/85/561804685.db2.gz FSPDDRAYNYPNIF-UWJYYQICSA-N -1 2 551.504 2.711 1 0 KFAFLM O=C([O-])COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026579432 561804675 /nfs/dbraw/zinc/80/46/75/561804675.db2.gz FSPDDRAYNYPNIF-UTKZUKDTSA-N -1 2 551.504 2.711 1 0 KFAFLM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580323 561805768 /nfs/dbraw/zinc/80/57/68/561805768.db2.gz ZTLVVJSGRMZPNR-CYFREDJKSA-N -1 2 595.546 2.809 1 0 KFAFLM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CO[P@@](C)(=O)c1ccccc1 ZINC000026580342 561805819 /nfs/dbraw/zinc/80/58/19/561805819.db2.gz ULCFZQSGHFDDRB-KZUKIYCCSA-N -1 2 581.562 2.698 1 0 KFAFLM COc1ccccc1C[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026654850 561809169 /nfs/dbraw/zinc/80/91/69/561809169.db2.gz PIDWCDCEILBSGS-GOTSBHOMSA-N -1 2 512.499 2.810 1 0 KFAFLM COc1ccccc1C[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026654850 561809167 /nfs/dbraw/zinc/80/91/67/561809167.db2.gz PIDWCDCEILBSGS-GOTSBHOMSA-N -1 2 512.499 2.810 1 0 KFAFLM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[P@@](=O)([O-])O ZINC000026656708 561809568 /nfs/dbraw/zinc/80/95/68/561809568.db2.gz RZJKWVPUWYLTJN-VXKWHMMOSA-N -1 2 526.482 2.530 1 0 KFAFLM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[P@](=O)([O-])O ZINC000026656708 561809567 /nfs/dbraw/zinc/80/95/67/561809567.db2.gz RZJKWVPUWYLTJN-VXKWHMMOSA-N -1 2 526.482 2.530 1 0 KFAFLM CC(C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000026657451 561809706 /nfs/dbraw/zinc/80/97/06/561809706.db2.gz MEAOSULJCSUBOP-QKDODKLFSA-N -1 2 597.605 2.648 1 0 KFAFLM CC(C)[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000026657451 561809704 /nfs/dbraw/zinc/80/97/04/561809704.db2.gz MEAOSULJCSUBOP-QKDODKLFSA-N -1 2 597.605 2.648 1 0 KFAFLM COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC(=O)[O-])c3c2OC(F)F)CC1 ZINC000026824256 561821595 /nfs/dbraw/zinc/82/15/95/561821595.db2.gz GLGGPPBQXMCPHO-UHFFFAOYSA-N -1 2 521.448 2.860 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000027844585 561885389 /nfs/dbraw/zinc/88/53/89/561885389.db2.gz XTQUKFXJZPRDGD-DKLXNKCPSA-N -1 2 533.562 2.922 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000027844585 561885387 /nfs/dbraw/zinc/88/53/87/561885387.db2.gz XTQUKFXJZPRDGD-DKLXNKCPSA-N -1 2 533.562 2.922 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000027852298 561886229 /nfs/dbraw/zinc/88/62/29/561886229.db2.gz XTQUKFXJZPRDGD-NWVWQQAFSA-N -1 2 533.562 2.922 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000027852298 561886227 /nfs/dbraw/zinc/88/62/27/561886227.db2.gz XTQUKFXJZPRDGD-NWVWQQAFSA-N -1 2 533.562 2.922 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261849 561912251 /nfs/dbraw/zinc/91/22/51/561912251.db2.gz YNSPJLYNPFONHQ-QRWLVFNGSA-N -1 2 581.632 2.588 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261849 561912249 /nfs/dbraw/zinc/91/22/49/561912249.db2.gz YNSPJLYNPFONHQ-QRWLVFNGSA-N -1 2 581.632 2.588 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261855 561912216 /nfs/dbraw/zinc/91/22/16/561912216.db2.gz YNSPJLYNPFONHQ-YWZLYKJASA-N -1 2 581.632 2.588 1 0 KFAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261855 561912214 /nfs/dbraw/zinc/91/22/14/561912214.db2.gz YNSPJLYNPFONHQ-YWZLYKJASA-N -1 2 581.632 2.588 1 0 KFAFLM O=C([O-])CN(CC(=O)[O-])C(=O)c1ccc(Cn2c(=O)n(Cc3[nH+]c4ccccc4n3CCCCO)c3ccccc32)cc1 ZINC000028570238 561938592 /nfs/dbraw/zinc/93/85/92/561938592.db2.gz NFFBEMBZWYZTPS-UHFFFAOYSA-N -1 2 585.617 2.633 1 0 KFAFLM CC(C)CCn1c2ccccc2[nH+]c1Cn1c2ccccc2n(Cc2ccc(Cn3c(=O)ccn(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c3=O)cc2)c1=O ZINC000028570302 561938702 /nfs/dbraw/zinc/93/87/02/561938702.db2.gz BJWLWJMNIRZSEE-NDEPHWFRSA-N -1 2 721.771 2.711 1 0 KFAFLM CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(C)=O)C2=O)cc1 ZINC000028756134 561956063 /nfs/dbraw/zinc/95/60/63/561956063.db2.gz HGFLNWGOEQHTGX-DQEYMECFSA-N -1 2 545.573 2.855 1 0 KFAFLM CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(C)=O)C2=O)cc1 ZINC000028756134 561956062 /nfs/dbraw/zinc/95/60/62/561956062.db2.gz HGFLNWGOEQHTGX-DQEYMECFSA-N -1 2 545.573 2.855 1 0 KFAFLM CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000029051606 561994489 /nfs/dbraw/zinc/99/44/89/561994489.db2.gz OPZQQVHHLPJGAP-IGKWTDBASA-N -1 2 559.560 2.814 1 0 KFAFLM CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000029051606 561994487 /nfs/dbraw/zinc/99/44/87/561994487.db2.gz OPZQQVHHLPJGAP-IGKWTDBASA-N -1 2 559.560 2.814 1 0 KFAFLM CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 ZINC000029135158 562004305 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558.828 2.607 1 0 KFAFLM CC[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000029558283 562032575 /nfs/dbraw/zinc/03/25/75/562032575.db2.gz MJXIDCYMAKGNKJ-GOTSBHOMSA-N -1 2 525.583 2.919 1 0 KFAFLM CC[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000029558283 562032573 /nfs/dbraw/zinc/03/25/73/562032573.db2.gz MJXIDCYMAKGNKJ-GOTSBHOMSA-N -1 2 525.583 2.919 1 0 KFAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000029570562 562035543 /nfs/dbraw/zinc/03/55/43/562035543.db2.gz BNMRZXAWYGJIEE-HNAYVOBHSA-N -1 2 534.521 2.767 1 0 KFAFLM CCOC(=O)C[P@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000031976923 562036732 /nfs/dbraw/zinc/03/67/32/562036732.db2.gz GSDBAIBPJKAZKN-HJNYFJLDSA-N -1 2 519.620 2.636 1 0 in-vitro KFAFLM CCOC(=O)C[P@@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000031976923 562036729 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