smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(=O)([O-])[O-])c(P(=O)([O-])[O-])c3)nc21 ZINC000001554111 561677711 /nfs/dbraw/zinc/67/77/11/561677711.db2.gz GNNFQNIEDVPEBR-UHFFFAOYSA-N -4 0 557.223 2.652 1 0 KFAFRL COc1ccccc1[N-]S(=O)(=O)c1ccc2ncn([N-]S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1 ZINC000001651083 561678522 /nfs/dbraw/zinc/67/85/22/561678522.db2.gz IJSFZGGBGILMRR-UHFFFAOYSA-N -2 0 520.976 2.792 1 0 KFAFRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)n([N-]S(=O)(=O)c3ccccc3C(C)=O)c(=O)c2c1 ZINC000001651090 561678525 /nfs/dbraw/zinc/67/85/25/561678525.db2.gz UDRKDFAGYMXHFV-UHFFFAOYSA-N -2 0 554.606 2.843 1 0 KFAFRL Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c(-c3ccccc3)nc2n1 ZINC000001915199 561680289 /nfs/dbraw/zinc/68/02/89/561680289.db2.gz LHPPOXMPOROEBX-IBGZPJMESA-N -2 0 515.530 2.516 1 0 KFAFRL Cc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(-c2ccccc2)nc2nc(N)nc(N)c12 ZINC000001915231 561680282 /nfs/dbraw/zinc/68/02/82/561680282.db2.gz ZYIAGSTUTOMANQ-IBGZPJMESA-N -2 0 529.557 2.825 1 0 KFAFRL Cc1nc2nc(N)nc(N)c2c(-c2ccccc2)c1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000001915237 561680307 /nfs/dbraw/zinc/68/03/07/561680307.db2.gz AXZKQCJRVVDKLW-IBGZPJMESA-N -2 0 529.557 2.825 1 0 KFAFRL O=C([O-])C1N=C(c2cscc2NC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)NC(=O)C1=O ZINC000003582076 561681944 /nfs/dbraw/zinc/68/19/44/561681944.db2.gz HCRYVIBTYLFLEV-UHFFFAOYSA-N -2 0 505.317 2.719 1 0 KFAFRL Cn1c2cc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1C(F)(F)c1nc2cc(Cl)ccc2[nH]1 ZINC000003587639 561681836 /nfs/dbraw/zinc/68/18/36/561681836.db2.gz MEFRLZQRBAUTEB-AWEZNQCLSA-N -2 0 527.808 2.604 1 0 KFAFRL Cn1c2cc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1C(F)(F)c1nc2cc(Cl)ccc2[nH]1 ZINC000003587648 561681971 /nfs/dbraw/zinc/68/19/71/561681971.db2.gz MEFRLZQRBAUTEB-CQSZACIVSA-N -2 0 527.808 2.604 1 0 KFAFRL CCOC(=O)c1c([O-])c(C(c2c(Cl)cccc2Cl)c2c(=O)[nH]c(N3CCOCC3)c(C(=O)OCC)c2[O-])c(=O)[nH]c1N1CCOCC1 ZINC000003925778 561686684 /nfs/dbraw/zinc/68/66/84/561686684.db2.gz LBDZWXLNLOAFEA-UHFFFAOYSA-N -2 0 693.537 2.988 1 0 KFAFRL CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O[P@](=O)([O-])OCC[C@H](C)CC/C=C(\C)CCC=C(C)C ZINC000008551701 571692526 /nfs/dbraw/zinc/69/25/26/571692526.db2.gz OZGJPDIBINDRGZ-UEXQHHKXSA-N -2 0 587.540 2.680 1 0 endogenous,in-man KFAFRL CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O[P@](=O)([O-])OCC[C@@H](C)CC/C=C(\C)CCC=C(C)C ZINC000008551702 571692492 /nfs/dbraw/zinc/69/24/92/571692492.db2.gz OZGJPDIBINDRGZ-SUHRZCCHSA-N -2 0 587.540 2.680 1 0 endogenous,in-man KFAFRL O=c1cnn(-c2cc(Cl)c(Oc3ccc([O-])c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)c(=O)[n-]1 ZINC000013487250 561715159 /nfs/dbraw/zinc/71/51/59/561715159.db2.gz PPCQNFDLMDWTFL-UHFFFAOYSA-N -2 0 513.359 2.900 1 0 KFAFRL CCCCCCc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@]3(COP(=O)([O-])[O-])C[C@H]23)c(NC)n1 ZINC000013528985 561717513 /nfs/dbraw/zinc/71/75/13/561717513.db2.gz QYNUEUAZUMURRB-BZIRYSOJSA-N -4 0 519.432 2.529 1 0 KFAFRL CCCC/C=C/c1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@]3(COP(=O)([O-])[O-])C[C@H]23)c(NC)n1 ZINC000013528988 561717541 /nfs/dbraw/zinc/71/75/41/561717541.db2.gz FXDYKJMOVOJLMM-AOAKFMFPSA-N -4 0 517.416 2.610 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000013556671 561718631 /nfs/dbraw/zinc/71/86/31/561718631.db2.gz HIIKXMZYHWRDDX-ZEQRLZLVSA-N -2 0 533.562 2.703 1 0 KFAFRL Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CCCC(=O)[O-])c3ccccc32)n1 ZINC000013561044 561719823 /nfs/dbraw/zinc/71/98/23/561719823.db2.gz BYBPPGGQNVVISN-SQHAQQRYSA-N -2 0 504.543 2.670 1 0 KFAFRL CCCCC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000013590043 561721388 /nfs/dbraw/zinc/72/13/88/561721388.db2.gz NFYHZVTYHZOMHF-WMZOPIPTSA-N -2 0 509.567 2.539 1 0 KFAFRL CCCCC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000013590044 561721369 /nfs/dbraw/zinc/72/13/69/561721369.db2.gz NFYHZVTYHZOMHF-AEFFLSMTSA-N -2 0 509.567 2.539 1 0 KFAFRL CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013651482 561723161 /nfs/dbraw/zinc/72/31/61/561723161.db2.gz LSBJYKCMZGPGPG-SFTDATJTSA-N -2 0 505.508 2.872 1 0 in-vitro KFAFRL CCCCCC[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1cnc(NC(=O)c2ccccc2S(=O)(=O)[O-])c1 ZINC000013739980 561725812 /nfs/dbraw/zinc/72/58/12/561725812.db2.gz YIXIHPBGLRRCIR-MSOLQXFVSA-N -2 0 506.581 2.969 1 0 KFAFRL CCCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1cnc(NC(=O)c2ccccc2S(=O)(=O)[O-])c1 ZINC000013739981 561725813 /nfs/dbraw/zinc/72/58/13/561725813.db2.gz YIXIHPBGLRRCIR-ROUUACIJSA-N -2 0 506.581 2.969 1 0 KFAFRL Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000013795319 561729969 /nfs/dbraw/zinc/72/99/69/561729969.db2.gz GHVHGLNOYNZJBQ-SFTDATJTSA-N -2 0 512.563 2.757 1 0 KFAFRL CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21 ZINC000013860276 561734458 /nfs/dbraw/zinc/73/44/58/561734458.db2.gz NTTQHPYEMYJKMD-SFHVURJKSA-N -2 0 513.491 2.910 1 0 KFAFRL CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21 ZINC000013860277 561734406 /nfs/dbraw/zinc/73/44/06/561734406.db2.gz NTTQHPYEMYJKMD-GOSISDBHSA-N -2 0 513.491 2.910 1 0 KFAFRL CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21 ZINC000013860278 561734510 /nfs/dbraw/zinc/73/45/10/561734510.db2.gz RDNPNVCQGXONSL-IBGZPJMESA-N -2 0 513.491 2.910 1 0 KFAFRL CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21 ZINC000013860279 561734507 /nfs/dbraw/zinc/73/45/07/561734507.db2.gz RDNPNVCQGXONSL-LJQANCHMSA-N -2 0 513.491 2.910 1 0 KFAFRL O=C([O-])c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000013862664 561734887 /nfs/dbraw/zinc/73/48/87/561734887.db2.gz CBBKKJAZZMADEY-UPVQGACJSA-N -2 0 501.491 2.965 1 0 KFAFRL CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)[O-])NC(=O)N(CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1 ZINC000014880066 561739980 /nfs/dbraw/zinc/73/99/80/561739980.db2.gz JSBQUMXQEBZYPW-NRFANRHFSA-N -4 0 571.564 2.807 1 0 in-vivo KFAFRL O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)o1)C(=O)CSCc1ccccc1Cl ZINC000014942815 561740342 /nfs/dbraw/zinc/74/03/42/561740342.db2.gz KCYRHEUMORWGHJ-IBGZPJMESA-N -2 0 611.050 2.891 1 0 KFAFRL O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1)C(=O)CCCc1ccccc1 ZINC000014942818 561740277 /nfs/dbraw/zinc/74/02/77/561740277.db2.gz IAZHUZNOJTUKSY-FQEVSTJZSA-N -2 0 574.633 2.796 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000014944788 561742587 /nfs/dbraw/zinc/74/25/87/561742587.db2.gz AJQJVJBKVFYLBU-PMACEKPBSA-N -2 0 614.379 2.609 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000014944796 561742573 /nfs/dbraw/zinc/74/25/73/561742573.db2.gz ZPQPAIMZJIHQMX-DJJJIMSYSA-N -2 0 522.882 2.710 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(Br)cc2)no1 ZINC000014944800 561742592 /nfs/dbraw/zinc/74/25/92/561742592.db2.gz ZYLCKOXAOKBGSU-DJJJIMSYSA-N -2 0 567.333 2.819 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2cccc(Cl)c2)no1 ZINC000014944802 561742542 /nfs/dbraw/zinc/74/25/42/561742542.db2.gz HTWNQOJKTHDFKD-DJJJIMSYSA-N -2 0 522.882 2.710 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(I)cc2)no1 ZINC000014944804 561742627 /nfs/dbraw/zinc/74/26/27/561742627.db2.gz PKVBLMYLERPGLI-DJJJIMSYSA-N -2 0 614.333 2.661 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944810 561742633 /nfs/dbraw/zinc/74/26/33/561742633.db2.gz IBEJTPIBRTVDAR-SFHVURJKSA-N -2 0 542.407 2.514 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944812 561742757 /nfs/dbraw/zinc/74/27/57/561742757.db2.gz ITJVFFJIFZONRZ-IBGZPJMESA-N -2 0 556.434 2.557 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944826 561742694 /nfs/dbraw/zinc/74/26/94/561742694.db2.gz HKOHWDTYCZDWEW-PMACEKPBSA-N -2 0 614.379 2.609 1 0 KFAFRL O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NC(=O)NCCN2CCOCC2)ccc2c1CCCC2 ZINC000014964709 561749414 /nfs/dbraw/zinc/74/94/14/561749414.db2.gz VCEPPNSBQSPVQM-UHFFFAOYSA-N -2 0 502.593 2.518 1 0 KFAFRL O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NC(=O)NCCCN2CCOCC2)ccc2c1CCCC2 ZINC000014964713 561749436 /nfs/dbraw/zinc/74/94/36/561749436.db2.gz IVSHHGXLATWYOM-UHFFFAOYSA-N -2 0 516.620 2.908 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000014976215 561752300 /nfs/dbraw/zinc/75/23/00/561752300.db2.gz KQWHTNAXIIBLME-PUHATCMVSA-N -2 0 502.504 2.602 1 0 KFAFRL CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000014976320 561752294 /nfs/dbraw/zinc/75/22/94/561752294.db2.gz OPZQQVHHLPJGAP-YGOYIFOWSA-N -2 0 559.560 2.814 1 0 KFAFRL COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000015894685 561753087 /nfs/dbraw/zinc/75/30/87/561753087.db2.gz GFLFMVSYYFLPFQ-IBGZPJMESA-N -2 0 604.609 2.507 1 0 in-vitro KFAFRL O=[P@]([O-])(CN1CCN(C[P@@](=O)([O-])c2ccccc2)CC[N@H+](C[P@@](=O)([O-])c2ccccc2)CC1)c1ccccc1 ZINC000019372345 561758586 /nfs/dbraw/zinc/75/85/86/561758586.db2.gz FLBGYWDTUFNIQU-UHFFFAOYSA-N -2 0 591.522 2.566 1 0 KFAFRL NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1 ZINC000024718363 561762419 /nfs/dbraw/zinc/76/24/19/561762419.db2.gz LGZYIQKUXWAUAL-GOTSBHOMSA-N -4 0 689.492 2.623 1 0 in-vitro KFAFRL O=C([O-])CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026175154 561770703 /nfs/dbraw/zinc/77/07/03/561770703.db2.gz KLXINTVDASPXAL-WOJBJXKFSA-N -2 0 610.483 2.528 1 0 KFAFRL O=C([O-])CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026175155 561770711 /nfs/dbraw/zinc/77/07/11/561770711.db2.gz KLXINTVDASPXAL-UXHICEINSA-N -2 0 610.483 2.528 1 0 KFAFRL O=C([O-])CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026175160 561770738 /nfs/dbraw/zinc/77/07/38/561770738.db2.gz KLXINTVDASPXAL-VQTJNVASSA-N -2 0 610.483 2.528 1 0 KFAFRL O=C([O-])CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026175165 561770697 /nfs/dbraw/zinc/77/06/97/561770697.db2.gz KLXINTVDASPXAL-PMACEKPBSA-N -2 0 610.483 2.528 1 0 KFAFRL C[C@H](Cn1c(=O)n2n(c1=O)[C@H](C(=O)N[C@@H](Cc1ccc3sccc(=O)c3c1)C(=O)[O-])C=C[C@@H]2CCCC(=O)[O-])c1ccccc1 ZINC000026185817 561772491 /nfs/dbraw/zinc/77/24/91/561772491.db2.gz HITKBKBEBWHXSH-FISOAXRRSA-N -2 0 632.695 2.909 1 0 KFAFRL C[C@H](Cn1c(=O)n2n(c1=O)[C@H](C(=O)N[C@@H](Cc1ccc3sccc(=O)c3c1)C(=O)[O-])C=C[C@H]2CCCC(=O)[O-])c1ccccc1 ZINC000026185827 561772543 /nfs/dbraw/zinc/77/25/43/561772543.db2.gz HITKBKBEBWHXSH-HQTOUJSTSA-N -2 0 632.695 2.909 1 0 KFAFRL O=C([O-])CCC[C@@H]1C=C[C@@H](C(=O)N[C@@H](Cc2ccc3sccc(=O)c3c2)C(=O)[O-])n2c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000026185832 561772511 /nfs/dbraw/zinc/77/25/11/561772511.db2.gz JRTMOJFCPGMXES-PUHATCMVSA-N -2 0 610.689 2.686 1 0 KFAFRL O=C([O-])CCC[C@@H]1C=C[C@H](C(=O)N[C@@H](Cc2ccc3sccc(=O)c3c2)C(=O)[O-])n2c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000026185842 561772545 /nfs/dbraw/zinc/77/25/45/561772545.db2.gz JRTMOJFCPGMXES-AKIFATBCSA-N -2 0 610.689 2.686 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(C(=O)c3ccccc3)c2)C1=O ZINC000026252684 561774395 /nfs/dbraw/zinc/77/43/95/561774395.db2.gz RXSVMRHSEAZCKF-SVBPBHIXSA-N -2 0 625.640 2.697 1 0 KFAFRL CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-] ZINC000026255611 561774842 /nfs/dbraw/zinc/77/48/42/561774842.db2.gz OZONJPYJYNBQFW-QYCWHSFNSA-N -2 0 664.841 2.989 1 0 KFAFRL CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-] ZINC000026255618 561774815 /nfs/dbraw/zinc/77/48/15/561774815.db2.gz OZONJPYJYNBQFW-RVSVMBKISA-N -2 0 664.841 2.989 1 0 KFAFRL Nc1nc(N)c2nc(CNc3c(Cl)cc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3Cl)cnc2n1 ZINC000026282126 561779126 /nfs/dbraw/zinc/77/91/26/561779126.db2.gz WYEXLNALRGCGSR-SFHVURJKSA-N -2 0 642.460 2.595 1 0 KFAFRL Nc1nc(N)c2nc(CNc3c(Cl)cc(C(=O)N[C@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3Cl)cnc2n1 ZINC000026282132 561779140 /nfs/dbraw/zinc/77/91/40/561779140.db2.gz WYEXLNALRGCGSR-GOSISDBHSA-N -2 0 642.460 2.595 1 0 KFAFRL COc1cccc(C(=O)N[C@@H]2[C@@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282340 561779224 /nfs/dbraw/zinc/77/92/24/561779224.db2.gz WCJVICQJLSYOTE-DASJEBLGSA-N -2 0 620.559 2.766 1 0 KFAFRL COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1 ZINC000026282348 561779240 /nfs/dbraw/zinc/77/92/40/561779240.db2.gz WCJVICQJLSYOTE-RMBNGAEESA-N -2 0 620.559 2.766 1 0 KFAFRL COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](COP(=O)([O-])[O-])[C@H]2O)c1 ZINC000026282354 561779287 /nfs/dbraw/zinc/77/92/87/561779287.db2.gz WCJVICQJLSYOTE-BYHVZLFPSA-N -2 0 620.559 2.766 1 0 KFAFRL COc1cccc(C(=O)N[C@@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](COP(=O)([O-])[O-])[C@H]2O)c1 ZINC000026282360 561779234 /nfs/dbraw/zinc/77/92/34/561779234.db2.gz WCJVICQJLSYOTE-WJCHFDDQSA-N -2 0 620.559 2.766 1 0 KFAFRL CCCCC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000026376122 561781834 /nfs/dbraw/zinc/78/18/34/561781834.db2.gz NFYHZVTYHZOMHF-FUHWJXTLSA-N -2 0 509.567 2.539 1 0 KFAFRL CCCCC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000026376124 561782045 /nfs/dbraw/zinc/78/20/45/561782045.db2.gz NFYHZVTYHZOMHF-SJLPKXTDSA-N -2 0 509.567 2.539 1 0 KFAFRL CC[C@@H](C)[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C ZINC000026378695 561782946 /nfs/dbraw/zinc/78/29/46/561782946.db2.gz WOUHPXMFFBGUBO-ZJJLSZRLSA-N -2 0 666.772 2.596 1 0 KFAFRL CC(C)(NC(=O)CCc1ccc(OCC(=O)[O-])c(P(=O)([O-])[O-])c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026387845 561784977 /nfs/dbraw/zinc/78/49/77/561784977.db2.gz WWFHJPXZDOFINE-UHFFFAOYSA-N -3 0 576.583 2.995 1 0 KFAFRL CC(C)(NC(=O)CCc1ccc(OCn2cnnn2)c(P(=O)([O-])[O-])c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000026387931 561784916 /nfs/dbraw/zinc/78/49/16/561784916.db2.gz DWNWEWCPDNAGAA-UHFFFAOYSA-N -2 0 600.613 2.555 1 0 KFAFRL CCO[P@](=O)([O-])c1cc(C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c2ccc(OCC3CCCCC3)c(C(N)=O)c2)ccc1OCC(=O)[O-] ZINC000026390034 561785513 /nfs/dbraw/zinc/78/55/13/561785513.db2.gz LAVSLSGXBRBDNN-UQBPGWFLSA-N -2 0 647.662 2.980 1 0 KFAFRL CCO[P@](=O)([O-])c1cc(C[C@H](NC(C)=O)C(=O)N[C@@H](C)c2ccc(OCC3CCCCC3)c(C(N)=O)c2)ccc1OCC(=O)[O-] ZINC000026390043 561785545 /nfs/dbraw/zinc/78/55/45/561785545.db2.gz LAVSLSGXBRBDNN-DFBJGRDBSA-N -2 0 647.662 2.980 1 0 KFAFRL CC(C)[C@H](NC(=O)c1cccc2c1Oc1c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cccc1C2(C)C)C(=O)[O-] ZINC000026391280 561785804 /nfs/dbraw/zinc/78/58/04/561785804.db2.gz NTHJTKDCNQTFHX-AVYPCKFXSA-N -2 0 539.585 2.665 1 0 KFAFRL O=C([O-])CC[C@H](NC(=O)C[C@@H]1O[C@H](COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)[C@H](O)[C@@H](O)[C@H]1O)C(=O)[O-] ZINC000026396728 561787175 /nfs/dbraw/zinc/78/71/75/561787175.db2.gz BYDYKRQSJGPAOL-LLAJDMAGSA-N -2 0 653.681 2.895 1 0 KFAFRL O=C([O-])CC[C@H](NC(=O)C[C@@H]1O[C@H](COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)[C@H](O)[C@H](O)[C@H]1O)C(=O)[O-] ZINC000026396732 561787177 /nfs/dbraw/zinc/78/71/77/561787177.db2.gz BYDYKRQSJGPAOL-FKUMLRQFSA-N -2 0 653.681 2.895 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CCC(C)C)cs1 ZINC000026400169 561788014 /nfs/dbraw/zinc/78/80/14/561788014.db2.gz GHQBXWVXHMMSES-PMACEKPBSA-N -3 0 541.563 2.973 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CC(C)C)cs1 ZINC000026401043 561788375 /nfs/dbraw/zinc/78/83/75/561788375.db2.gz VPHMRYCQMAQKAT-OALUTQOASA-N -3 0 527.536 2.583 1 0 KFAFRL O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4cccc(C(=O)[O-])c4)c3)cc21 ZINC000026475806 561791034 /nfs/dbraw/zinc/79/10/34/561791034.db2.gz ORECTEKXMCPJTB-UHFFFAOYSA-N -2 0 545.430 2.604 1 0 KFAFRL O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(C(=O)[O-])cc4)c3)cc21 ZINC000026476160 561791089 /nfs/dbraw/zinc/79/10/89/561791089.db2.gz QSNIAABEHJATJE-UHFFFAOYSA-N -2 0 545.430 2.604 1 0 KFAFRL O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026482797 561792001 /nfs/dbraw/zinc/79/20/01/561792001.db2.gz QJEIHINBTJNIIJ-MZKUHISZSA-N -2 0 573.602 2.916 1 0 KFAFRL O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026482805 561792033 /nfs/dbraw/zinc/79/20/33/561792033.db2.gz QJEIHINBTJNIIJ-USZFVNFHSA-N -2 0 573.602 2.916 1 0 KFAFRL [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C/C1CCCCC1)[C@@H](O)CCCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000026502178 561795800 /nfs/dbraw/zinc/79/58/00/561795800.db2.gz UWYCQIKPBQWBGL-FXEZDZLWSA-N -2 0 637.796 2.777 1 0 KFAFRL [NH3+][C@H](CCC(=O)N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C/C1CCCCC1)[C@@H](O)CCCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000026502181 561795827 /nfs/dbraw/zinc/79/58/27/561795827.db2.gz UWYCQIKPBQWBGL-SLVUOLBASA-N -2 0 637.796 2.777 1 0 KFAFRL [NH3+][C@@H](CCC(=O)N[C@H](CS[C@H](/C=C/C=C/C=C\C/C=C/C1CCCCC1)[C@@H](O)CCCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000026502184 561795807 /nfs/dbraw/zinc/79/58/07/561795807.db2.gz UWYCQIKPBQWBGL-PMLZKSAJSA-N -2 0 637.796 2.777 1 0 KFAFRL [NH3+][C@H](CCC(=O)N[C@H](CS[C@H](/C=C/C=C/C=C\C/C=C/C1CCCCC1)[C@@H](O)CCCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000026502187 561795782 /nfs/dbraw/zinc/79/57/82/561795782.db2.gz UWYCQIKPBQWBGL-NOHCOSAHSA-N -2 0 637.796 2.777 1 0 KFAFRL CCCCC/C=C/c1ccc(C/C=C/[C@H](SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1 ZINC000026503334 561795987 /nfs/dbraw/zinc/79/59/87/561795987.db2.gz CLNKQVRSAWWQAE-XCUJSLHKSA-N -2 0 649.807 2.974 1 0 KFAFRL CCCCC/C=C/c1ccc(C/C=C/[C@H](SC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1 ZINC000026503337 561796034 /nfs/dbraw/zinc/79/60/34/561796034.db2.gz CLNKQVRSAWWQAE-WTFRPBNMSA-N -2 0 649.807 2.974 1 0 KFAFRL CCCCC/C=C/c1ccc(C/C=C/[C@H](SC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1 ZINC000026503341 561795993 /nfs/dbraw/zinc/79/59/93/561795993.db2.gz CLNKQVRSAWWQAE-PKNNJLFTSA-N -2 0 649.807 2.974 1 0 KFAFRL CCCCC/C=C/c1ccc(C/C=C/[C@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1 ZINC000026503342 561796008 /nfs/dbraw/zinc/79/60/08/561796008.db2.gz CLNKQVRSAWWQAE-XKTJUDFDSA-N -2 0 649.807 2.974 1 0 KFAFRL CCCCCCC(=O)CCC[C@]12O[C@](C(=O)[O-])([C@H](OC(=O)CC[C@@H](C)C[C@@H](C)CC)[C@H]1O)[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026505972 561796566 /nfs/dbraw/zinc/79/65/66/561796566.db2.gz ZNJMWBGRVAJTPL-CDHJIISDSA-N -3 0 602.674 2.670 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@@H](C)C(=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026568228 561797540 /nfs/dbraw/zinc/79/75/40/561797540.db2.gz DRBRCGUBFYECNJ-VYUYABEUSA-N -3 0 650.718 2.825 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@H](C)C(=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026568232 561797529 /nfs/dbraw/zinc/79/75/29/561797529.db2.gz DRBRCGUBFYECNJ-QOLQQJIASA-N -3 0 650.718 2.825 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)CCCc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026571214 561798199 /nfs/dbraw/zinc/79/81/99/561798199.db2.gz KAMJCRIHZLBODN-NFBLTCAVSA-N -3 0 636.691 2.723 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026571536 561798183 /nfs/dbraw/zinc/79/81/83/561798183.db2.gz WYFZRZSDHUDHRK-MUOHLJLTSA-N -3 0 636.691 2.579 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026571540 561798129 /nfs/dbraw/zinc/79/81/29/561798129.db2.gz WYFZRZSDHUDHRK-WUVXVRONSA-N -3 0 636.691 2.579 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000026573900 561798738 /nfs/dbraw/zinc/79/87/38/561798738.db2.gz GAWAPALHYLKWKN-CHQNGUEUSA-N -3 0 730.771 2.828 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000026575230 561799160 /nfs/dbraw/zinc/79/91/60/561799160.db2.gz AFQCZXZREQOGFC-DTXPUJKBSA-N -3 0 730.771 2.755 1 0 KFAFRL O=C([O-])CCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[n-]c2=O)cc1 ZINC000026575627 561799416 /nfs/dbraw/zinc/79/94/16/561799416.db2.gz QVIPDSYCCPJOOX-IDUDEYGOSA-N -2 0 531.590 2.668 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@@H](C)C(=O)CCc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026575780 561799366 /nfs/dbraw/zinc/79/93/66/561799366.db2.gz XCARCOGYDPSLAM-WUVXVRONSA-N -3 0 636.691 2.579 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@H](C)C(=O)CCc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000026575781 561799387 /nfs/dbraw/zinc/79/93/87/561799387.db2.gz XCARCOGYDPSLAM-MUOHLJLTSA-N -3 0 636.691 2.579 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CC(=O)[O-])c(O)c1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000026576460 561800341 /nfs/dbraw/zinc/80/03/41/561800341.db2.gz IBWAESIVJOVKIR-DTXPUJKBSA-N -2 0 702.761 2.835 1 0 KFAFRL Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000026577079 561800973 /nfs/dbraw/zinc/80/09/73/561800973.db2.gz NVVGCQABIHSJSQ-JGLCYXNFSA-N -2 0 708.813 2.888 1 0 KFAFRL CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)[O-])[C@@H](C)CC ZINC000026643945 561807220 /nfs/dbraw/zinc/80/72/20/561807220.db2.gz VHNIWNBTKNHTTH-OEOAZWSVSA-N -2 0 549.561 2.635 1 0 KFAFRL CCO[P@](=O)([O-])N[C@H](C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)[O-])[C@@H](C)CC ZINC000026643956 561807209 /nfs/dbraw/zinc/80/72/09/561807209.db2.gz VHNIWNBTKNHTTH-ANJVHQHFSA-N -2 0 549.561 2.635 1 0 KFAFRL COc1ccccc1C[C@H](NC[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026654850 561809158 /nfs/dbraw/zinc/80/91/58/561809158.db2.gz PIDWCDCEILBSGS-GOTSBHOMSA-N -2 0 512.499 2.810 1 0 KFAFRL O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CP(=O)([O-])[O-] ZINC000026656708 561809564 /nfs/dbraw/zinc/80/95/64/561809564.db2.gz RZJKWVPUWYLTJN-VXKWHMMOSA-N -2 0 526.482 2.530 1 0 KFAFRL CC(C)[C@H]([NH2+]CP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000026657451 561809699 /nfs/dbraw/zinc/80/96/99/561809699.db2.gz MEAOSULJCSUBOP-QKDODKLFSA-N -2 0 597.605 2.648 1 0 KFAFRL CCCC[C@H](C)[C@@H](OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-] ZINC000026662044 561810502 /nfs/dbraw/zinc/81/05/02/561810502.db2.gz UVBUBMSSQKOIBE-ZWKVXHQASA-N -3 0 721.838 2.564 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000026670642 561812247 /nfs/dbraw/zinc/81/22/47/561812247.db2.gz NJHZSMUSWCJQQG-QORCZRPOSA-N -2 0 643.738 2.560 1 0 KFAFRL CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000026735189 561817306 /nfs/dbraw/zinc/81/73/06/561817306.db2.gz MRISQXIQFOEPLQ-RTNDPACDSA-N -2 0 514.619 2.910 1 0 KFAFRL CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000026736654 561817607 /nfs/dbraw/zinc/81/76/07/561817607.db2.gz MRISQXIQFOEPLQ-LFIKVBAHSA-N -2 0 514.619 2.910 1 0 KFAFRL CCOC(=O)c1sc([N-]c2nc3c(ncn3CC)c([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)nc1C ZINC000026745477 561818759 /nfs/dbraw/zinc/81/87/59/561818759.db2.gz PJKDMQZRQPFONG-UHFFFAOYSA-N -2 0 565.659 2.736 1 0 KFAFRL Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4C(=O)[O-])C(=O)[O-])cc3)cnc2n1 ZINC000026751434 561819855 /nfs/dbraw/zinc/81/98/55/561819855.db2.gz RZKWOZSGBBQADD-KRWDZBQOSA-N -2 0 642.460 2.595 1 0 KFAFRL Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4C(=O)[O-])C(=O)[O-])cc3)cnc2n1 ZINC000026751439 561819823 /nfs/dbraw/zinc/81/98/23/561819823.db2.gz RZKWOZSGBBQADD-QGZVFWFLSA-N -2 0 642.460 2.595 1 0 KFAFRL CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CCC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)(C)C ZINC000026818311 561820666 /nfs/dbraw/zinc/82/06/66/561820666.db2.gz FTHRPNRPONSHBN-KELBGUDLSA-N -2 0 610.793 2.984 1 0 KFAFRL O=C([O-])C[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000026822481 561821416 /nfs/dbraw/zinc/82/14/16/561821416.db2.gz NTAJXEZFRGYCDN-KDOFPFPSSA-N -3 0 574.310 2.922 1 0 KFAFRL COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CC(=O)[O-])c3c2OC(F)F)CC1 ZINC000026824256 561821594 /nfs/dbraw/zinc/82/15/94/561821594.db2.gz GLGGPPBQXMCPHO-UHFFFAOYSA-N -2 0 521.448 2.860 1 0 KFAFRL COc1cccc(-c2cn(-c3cccc(C(=O)Nc4ccc(P(=O)([O-])[O-])c(P(=O)([O-])[O-])c4)c3)c3ncnc(N)c23)c1 ZINC000026832005 561823187 /nfs/dbraw/zinc/82/31/87/561823187.db2.gz GLBBWJBFQWIPTQ-UHFFFAOYSA-N -4 0 595.445 2.537 1 0 KFAFRL CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000026832825 561823341 /nfs/dbraw/zinc/82/33/41/561823341.db2.gz PHTYZLGTCMSKSQ-FQEVSTJZSA-N -2 0 500.939 2.959 1 0 KFAFRL COc1cccc(-c2cn(-c3ccc(C(=O)Nc4ccc(P(=O)([O-])[O-])c(P(=O)([O-])[O-])c4)cc3)c3ncnc(N)c23)c1 ZINC000026833081 561823396 /nfs/dbraw/zinc/82/33/96/561823396.db2.gz MIIXFTCWQXMGID-UHFFFAOYSA-N -4 0 595.445 2.537 1 0 KFAFRL COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026836665 561824544 /nfs/dbraw/zinc/82/45/44/561824544.db2.gz GFLFMVSYYFLPFQ-LJQANCHMSA-N -2 0 604.609 2.507 1 0 KFAFRL COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000026838850 561825180 /nfs/dbraw/zinc/82/51/80/561825180.db2.gz DRQXKGKHOSMCBP-IBGZPJMESA-N -2 0 604.609 2.752 1 0 KFAFRL COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(N(C[C@@H](C)C(=O)[O-])C(=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026935332 561827357 /nfs/dbraw/zinc/82/73/57/561827357.db2.gz JLBORDITBUFFMT-KNQAVFIVSA-N -2 0 659.689 2.728 1 0 KFAFRL COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(N(C[C@H](C)C(=O)[O-])C(=O)C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000026935337 561827388 /nfs/dbraw/zinc/82/73/88/561827388.db2.gz JLBORDITBUFFMT-UGKGYDQZSA-N -2 0 659.689 2.728 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)NC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000027095610 561837976 /nfs/dbraw/zinc/83/79/76/561837976.db2.gz MOSWXYTWKAJKPK-XMMPIXPASA-N -2 0 662.696 2.784 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)NC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000027095618 561837970 /nfs/dbraw/zinc/83/79/70/561837970.db2.gz MOSWXYTWKAJKPK-DEOSSOPVSA-N -2 0 662.696 2.784 1 0 KFAFRL CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cccc(C(=O)c4cc(Cl)cc(C(=O)c5ccccc5[O-])c4[O-])c3[O-])[C@H]2SC1 ZINC000027096048 561837968 /nfs/dbraw/zinc/83/79/68/561837968.db2.gz OPKLBCFVFIJTMW-YKGWIAGDSA-N -4 0 667.048 2.834 1 0 KFAFRL CC(C)COC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl ZINC000027098625 561838206 /nfs/dbraw/zinc/83/82/06/561838206.db2.gz YXLKUMXBZZUGHU-FKBYEOEOSA-N -2 0 663.115 2.983 1 0 KFAFRL CC(C)COC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl ZINC000027098630 561838208 /nfs/dbraw/zinc/83/82/08/561838208.db2.gz YXLKUMXBZZUGHU-FSSWDIPSSA-N -2 0 663.115 2.983 1 0 KFAFRL CC(C)COC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl ZINC000027098637 561838351 /nfs/dbraw/zinc/83/83/51/561838351.db2.gz YXLKUMXBZZUGHU-FDFHNCONSA-N -2 0 663.115 2.983 1 0 KFAFRL CC(C)COC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl ZINC000027098643 561838371 /nfs/dbraw/zinc/83/83/71/561838371.db2.gz YXLKUMXBZZUGHU-BHIFYINESA-N -2 0 663.115 2.983 1 0 KFAFRL CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CO[P@](=O)([O-])Oc1ccccc1 ZINC000027211387 561847320 /nfs/dbraw/zinc/84/73/20/561847320.db2.gz FWICLKMYXSBEEJ-UGKGYDQZSA-N -2 0 536.474 2.662 1 0 KFAFRL O=C([O-])CN(CC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-])S(=O)(=O)c1ccccn1 ZINC000027307097 561849810 /nfs/dbraw/zinc/84/98/10/561849810.db2.gz WEVSHWPVGKQWOF-NRFANRHFSA-N -2 0 596.445 2.855 1 0 KFAFRL CN(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2ccccc21 ZINC000027527064 561866545 /nfs/dbraw/zinc/86/65/45/561866545.db2.gz XEPKRPPZUGAIMY-FQEVSTJZSA-N -2 0 502.531 2.632 1 0 KFAFRL CN(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c2ccccc21 ZINC000027527065 561866543 /nfs/dbraw/zinc/86/65/43/561866543.db2.gz XEPKRPPZUGAIMY-HXUWFJFHSA-N -2 0 502.531 2.632 1 0 KFAFRL O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1)C(=O)CSc1ccccc1Cl ZINC000027555086 561869286 /nfs/dbraw/zinc/86/92/86/561869286.db2.gz URMGPEOQLIISAB-IBGZPJMESA-N -2 0 608.050 2.552 1 0 KFAFRL O=C([O-])C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1)C(=O)CSCc1ccccc1Cl ZINC000027555410 561869331 /nfs/dbraw/zinc/86/93/31/561869331.db2.gz VCWYKJKQZUPTQP-KRWDZBQOSA-N -2 0 628.106 2.754 1 0 KFAFRL CC[C@H](C)[C@H](C(=O)[O-])N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000027628724 561873468 /nfs/dbraw/zinc/87/34/68/561873468.db2.gz YHJNTLKXPXYSDG-ZWOGFZLSSA-N -2 0 644.762 2.794 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCC(=O)[O-] ZINC000027657661 561878192 /nfs/dbraw/zinc/87/81/92/561878192.db2.gz ISNKTZRVRLHEQL-VMPREFPWSA-N -3 0 703.745 2.760 1 0 KFAFRL O=C([O-])CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000027704206 561878532 /nfs/dbraw/zinc/87/85/32/561878532.db2.gz YGHFUSXPOFTPSQ-VWLOTQADSA-N -3 0 576.602 2.834 1 0 KFAFRL O=C([O-])CCC(=O)N[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000027704210 561878566 /nfs/dbraw/zinc/87/85/66/561878566.db2.gz YGHFUSXPOFTPSQ-RUZDIDTESA-N -3 0 576.602 2.834 1 0 KFAFRL CCc1c(CCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c3ccccc23)cnc2nc(N)nc(N)c21 ZINC000027705819 561878778 /nfs/dbraw/zinc/87/87/78/561878778.db2.gz ZMEKYGGNDSFCCD-FQEVSTJZSA-N -2 0 516.558 2.738 1 0 KFAFRL CCc1c(CCc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c3ccccc23)cnc2nc(N)nc(N)c21 ZINC000027705824 561878776 /nfs/dbraw/zinc/87/87/76/561878776.db2.gz ZMEKYGGNDSFCCD-HXUWFJFHSA-N -2 0 516.558 2.738 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000027844585 561885385 /nfs/dbraw/zinc/88/53/85/561885385.db2.gz XTQUKFXJZPRDGD-DKLXNKCPSA-N -2 0 533.562 2.922 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000027852298 561886225 /nfs/dbraw/zinc/88/62/25/561886225.db2.gz XTQUKFXJZPRDGD-NWVWQQAFSA-N -2 0 533.562 2.922 1 0 KFAFRL CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-])cc1 ZINC000027878263 561888763 /nfs/dbraw/zinc/88/87/63/561888763.db2.gz LABSZDXMSNCDIA-QFQXNSOFSA-N -2 0 539.585 2.927 1 0 KFAFRL CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-])cc1 ZINC000027878266 561888732 /nfs/dbraw/zinc/88/87/32/561888732.db2.gz LABSZDXMSNCDIA-RLWLMLJZSA-N -2 0 539.585 2.927 1 0 KFAFRL CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-])cc1 ZINC000027878271 561888761 /nfs/dbraw/zinc/88/87/61/561888761.db2.gz LABSZDXMSNCDIA-HFZDXXHNSA-N -2 0 539.585 2.927 1 0 KFAFRL CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-])cc1 ZINC000027878277 561888747 /nfs/dbraw/zinc/88/87/47/561888747.db2.gz LABSZDXMSNCDIA-LVXARBLLSA-N -2 0 539.585 2.927 1 0 KFAFRL CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000027998131 561894142 /nfs/dbraw/zinc/89/41/42/561894142.db2.gz LWPUEILRZWFZQE-SDHOMARFSA-N -2 0 702.708 2.933 1 0 KFAFRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000027998135 561894169 /nfs/dbraw/zinc/89/41/69/561894169.db2.gz LWPUEILRZWFZQE-DSITVLBTSA-N -2 0 702.708 2.933 1 0 KFAFRL CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000027998142 561894143 /nfs/dbraw/zinc/89/41/43/561894143.db2.gz LWPUEILRZWFZQE-GVAUOCQISA-N -2 0 702.708 2.933 1 0 KFAFRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000027998147 561894170 /nfs/dbraw/zinc/89/41/70/561894170.db2.gz LWPUEILRZWFZQE-SDHSZQHLSA-N -2 0 702.708 2.933 1 0 KFAFRL CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000028005951 561895476 /nfs/dbraw/zinc/89/54/76/561895476.db2.gz VQHQPYCQKWFGNA-FXSPECFOSA-N -2 0 597.669 2.589 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000028016801 561897499 /nfs/dbraw/zinc/89/74/99/561897499.db2.gz VCJVTQSVUOVDMO-SFTDATJTSA-N -2 0 565.664 2.876 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)OC(C)(C)C ZINC000028018024 561897891 /nfs/dbraw/zinc/89/78/91/561897891.db2.gz CCRLJMLQFZXFAN-UIOOFZCWSA-N -2 0 670.760 2.824 1 0 KFAFRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028018226 561897894 /nfs/dbraw/zinc/89/78/94/561897894.db2.gz KQYJCSAZWKMBQO-VABKMULXSA-N -2 0 674.654 2.614 1 0 KFAFRL CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028018231 561897912 /nfs/dbraw/zinc/89/79/12/561897912.db2.gz KQYJCSAZWKMBQO-ZRBLBEILSA-N -2 0 674.654 2.614 1 0 KFAFRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028018236 561897902 /nfs/dbraw/zinc/89/79/02/561897902.db2.gz KQYJCSAZWKMBQO-VJBWXMMDSA-N -2 0 674.654 2.614 1 0 KFAFRL CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028018241 561897920 /nfs/dbraw/zinc/89/79/20/561897920.db2.gz KQYJCSAZWKMBQO-ZLNRFVROSA-N -2 0 674.654 2.614 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C ZINC000028021002 561898443 /nfs/dbraw/zinc/89/84/43/561898443.db2.gz WQCLOMLYUBAEOD-GOTSBHOMSA-N -2 0 600.669 2.713 1 0 KFAFRL Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000028022567 561898863 /nfs/dbraw/zinc/89/88/63/561898863.db2.gz BRXOSTDCWWZMCS-DPZBCOQUSA-N -2 0 611.696 2.897 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C ZINC000028086415 561899137 /nfs/dbraw/zinc/89/91/37/561899137.db2.gz OIKJIAWEAZZVQT-ZEQRLZLVSA-N -2 0 598.697 2.646 1 0 KFAFRL CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000028087478 561899367 /nfs/dbraw/zinc/89/93/67/561899367.db2.gz IPARCMMQODDIFE-DPZBCOQUSA-N -2 0 612.680 2.694 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000028088746 561899537 /nfs/dbraw/zinc/89/95/37/561899537.db2.gz FDDXKRIWACQTON-PMACEKPBSA-N -2 0 583.704 2.583 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000028092056 561900144 /nfs/dbraw/zinc/90/01/44/561900144.db2.gz OPVVXWXSBJUCCI-ZEQRLZLVSA-N -2 0 615.680 2.779 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1 ZINC000028097537 561901133 /nfs/dbraw/zinc/90/11/33/561901133.db2.gz UTNVAWFUPDPLAR-NSOVKSMOSA-N -2 0 633.698 2.858 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(O)c1 ZINC000028097544 561901084 /nfs/dbraw/zinc/90/10/84/561901084.db2.gz UTLKUYYYTUCFJL-NSOVKSMOSA-N -2 0 633.698 2.858 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)OC(C)(C)C ZINC000028098088 561901131 /nfs/dbraw/zinc/90/11/31/561901131.db2.gz HAVLKNKDLFOHGT-UIOOFZCWSA-N -2 0 670.760 2.579 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 ZINC000028103843 561902080 /nfs/dbraw/zinc/90/20/80/561902080.db2.gz REPVKONBWMINGI-NSOVKSMOSA-N -2 0 653.754 2.668 1 0 KFAFRL CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028109215 561902775 /nfs/dbraw/zinc/90/27/75/561902775.db2.gz LMQISTFNCIPCPE-FWEHEUNISA-N -2 0 697.811 2.613 1 0 KFAFRL NC(=O)C[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(=O)[O-])Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NCCCc1cccc2ccccc21 ZINC000028113854 561903505 /nfs/dbraw/zinc/90/35/05/561903505.db2.gz RHENIHXWHJZKOZ-DGPALRBDSA-N -2 0 696.738 2.937 1 0 KFAFRL NC(=O)C[C@H](NC(=O)CCCCNC(=O)[C@@H](CC(=O)[O-])Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)NCCCc1cccc2ccccc21 ZINC000028115719 561903763 /nfs/dbraw/zinc/90/37/63/561903763.db2.gz QXDGPUCXBSZFOR-PXJZQJOASA-N -2 0 682.711 2.547 1 0 KFAFRL CC(C)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000028221036 561907307 /nfs/dbraw/zinc/90/73/07/561907307.db2.gz PFJMJDWPBWYQJO-AKXSOLIVSA-N -2 0 688.734 2.532 1 0 KFAFRL CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000028221041 561907293 /nfs/dbraw/zinc/90/72/93/561907293.db2.gz PFJMJDWPBWYQJO-NDRDCLFJSA-N -2 0 688.734 2.532 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000028221931 561907386 /nfs/dbraw/zinc/90/73/86/561907386.db2.gz HCDWWLRXXQEOTO-XAZIQIKHSA-N -2 0 702.761 2.922 1 0 KFAFRL CSCC[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000028222112 561907423 /nfs/dbraw/zinc/90/74/23/561907423.db2.gz XAMXYXOQTMUNAT-FIPUOLMPSA-N -2 0 720.801 2.629 1 0 KFAFRL CC[C@@H](C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000028224766 561907758 /nfs/dbraw/zinc/90/77/58/561907758.db2.gz XLNOKGOXPRSCQS-NMMWGBCESA-N -2 0 702.761 2.922 1 0 KFAFRL Cc1nc2nc(N)nc(N)c2c(-c2ccccc2)c1CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000028226389 561908063 /nfs/dbraw/zinc/90/80/63/561908063.db2.gz AXZKQCJRVVDKLW-LJQANCHMSA-N -2 0 529.557 2.825 1 0 KFAFRL Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c(-c3ccccc3)nc2n1 ZINC000028226421 561908205 /nfs/dbraw/zinc/90/82/05/561908205.db2.gz LHPPOXMPOROEBX-LJQANCHMSA-N -2 0 515.530 2.516 1 0 KFAFRL NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC000028227404 561908391 /nfs/dbraw/zinc/90/83/91/561908391.db2.gz MWDZTGQUXWUZTJ-OIKPOIBNSA-N -3 0 636.598 2.528 1 0 KFAFRL NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC000028227408 561908330 /nfs/dbraw/zinc/90/83/30/561908330.db2.gz MWDZTGQUXWUZTJ-URORMMCBSA-N -3 0 636.598 2.528 1 0 KFAFRL NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC000028227412 561908345 /nfs/dbraw/zinc/90/83/45/561908345.db2.gz MWDZTGQUXWUZTJ-IEUSDUHPSA-N -3 0 636.598 2.528 1 0 KFAFRL NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC000028227416 561908360 /nfs/dbraw/zinc/90/83/60/561908360.db2.gz MWDZTGQUXWUZTJ-STXQHDJLSA-N -3 0 636.598 2.528 1 0 KFAFRL Cc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(-c2ccccc2)nc2nc(N)nc(N)c12 ZINC000028230388 561908984 /nfs/dbraw/zinc/90/89/84/561908984.db2.gz ZYIAGSTUTOMANQ-LJQANCHMSA-N -2 0 529.557 2.825 1 0 KFAFRL Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1 ZINC000028253050 561911159 /nfs/dbraw/zinc/91/11/59/561911159.db2.gz KBTQPTIDWDQLAO-QHCPKHFHSA-N -2 0 547.543 2.899 1 0 KFAFRL Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1 ZINC000028253056 561911100 /nfs/dbraw/zinc/91/11/00/561911100.db2.gz KBTQPTIDWDQLAO-HSZRJFAPSA-N -2 0 547.543 2.899 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261849 561912247 /nfs/dbraw/zinc/91/22/47/561912247.db2.gz YNSPJLYNPFONHQ-QRWLVFNGSA-N -2 0 581.632 2.588 1 0 KFAFRL CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)c1nc(SCC2CCCCC2)c(C(N)=O)n1C ZINC000028261855 561912212 /nfs/dbraw/zinc/91/22/12/561912212.db2.gz YNSPJLYNPFONHQ-YWZLYKJASA-N -2 0 581.632 2.588 1 0 KFAFRL CC(=O)N[C@@H](CSC(=O)NC1CCC(CC2CCC(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])CC2)CC1)C(=O)[O-] ZINC000028464491 561926041 /nfs/dbraw/zinc/92/60/41/561926041.db2.gz CCJPZRPFRJEGCQ-MDWLPXDISA-N -2 0 588.749 2.558 1 0 KFAFRL CC(=O)N[C@H](CSC(=O)NC1CCC(CC2CCC(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])CC2)CC1)C(=O)[O-] ZINC000028464496 561926007 /nfs/dbraw/zinc/92/60/07/561926007.db2.gz CCJPZRPFRJEGCQ-GKKRWQMFSA-N -2 0 588.749 2.558 1 0 KFAFRL CC(=O)N[C@@H](CSC(=O)NC1CCC(CC2CCC(NC(=O)SC[C@H](NC(C)=O)C(=O)[O-])CC2)CC1)C(=O)[O-] ZINC000028464501 561926057 /nfs/dbraw/zinc/92/60/57/561926057.db2.gz CCJPZRPFRJEGCQ-AYSFWYFTSA-N -2 0 588.749 2.558 1 0 KFAFRL CC(=O)N[C@@H](CSC(=O)Nc1ccc(Cc2ccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000028471381 561926992 /nfs/dbraw/zinc/92/69/92/561926992.db2.gz WVYBIYOMZGTTMD-OYRHEFFESA-N -2 0 576.653 2.986 1 0 KFAFRL CC(=O)N[C@H](CSC(=O)Nc1ccc(Cc2ccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000028471383 561927019 /nfs/dbraw/zinc/92/70/19/561927019.db2.gz WVYBIYOMZGTTMD-NHCUHLMSSA-N -2 0 576.653 2.986 1 0 KFAFRL CC(=O)N[C@@H](CSC(=O)Nc1ccc(Cc2ccc(NC(=O)SC[C@H](NC(C)=O)C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000028471387 561926968 /nfs/dbraw/zinc/92/69/68/561926968.db2.gz WVYBIYOMZGTTMD-SFTDATJTSA-N -2 0 576.653 2.986 1 0 KFAFRL O=C([O-])COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccc(C(F)(F)P(=O)([O-])[O-])cc2)cc1 ZINC000028528965 561933574 /nfs/dbraw/zinc/93/35/74/561933574.db2.gz XTPGWIXRAQSULL-UHFFFAOYSA-N -3 0 576.511 2.580 1 0 KFAFRL O=C([O-])CN(CC(=O)[O-])C(=O)c1ccc(Cn2c(=O)n(Cc3nc4ccccc4n3CCCCO)c3ccccc32)cc1 ZINC000028570238 561938590 /nfs/dbraw/zinc/93/85/90/561938590.db2.gz NFFBEMBZWYZTPS-UHFFFAOYSA-N -2 0 585.617 2.633 1 0 KFAFRL CC(C)CCn1c(Cn2c3ccccc3n(Cc3ccc(Cn4c(=O)ccn(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4=O)cc3)c2=O)nc2ccccc21 ZINC000028570302 561938700 /nfs/dbraw/zinc/93/87/00/561938700.db2.gz BJWLWJMNIRZSEE-NDEPHWFRSA-N -2 0 721.771 2.711 1 0 KFAFRL NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3O)nc2c1 ZINC000028571844 561939540 /nfs/dbraw/zinc/93/95/40/561939540.db2.gz ZZCIJHILHXIOSB-CYBMUJFWSA-N -2 0 504.455 2.933 1 0 KFAFRL NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3O)nc2c1 ZINC000028571845 561939618 /nfs/dbraw/zinc/93/96/18/561939618.db2.gz ZZCIJHILHXIOSB-ZDUSSCGKSA-N -2 0 504.455 2.933 1 0 KFAFRL NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3O)nc2c1 ZINC000028571920 561939666 /nfs/dbraw/zinc/93/96/66/561939666.db2.gz KEIOOZCFSXHCIU-CQSZACIVSA-N -2 0 518.482 2.862 1 0 KFAFRL NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3O)nc2c1 ZINC000028571921 561939584 /nfs/dbraw/zinc/93/95/84/561939584.db2.gz KEIOOZCFSXHCIU-AWEZNQCLSA-N -2 0 518.482 2.862 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccsc2C(=O)[O-])Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028635217 561940931 /nfs/dbraw/zinc/94/09/31/561940931.db2.gz VVBFXWGTEWPGMP-XWXLMPLOSA-N -2 0 565.595 2.720 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@]1(Cc2ccsc2C(=O)[O-])Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028635220 561940911 /nfs/dbraw/zinc/94/09/11/561940911.db2.gz VVBFXWGTEWPGMP-QSAFDGGLSA-N -2 0 565.595 2.720 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccsc2C(=O)[O-])Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028635223 561940936 /nfs/dbraw/zinc/94/09/36/561940936.db2.gz VVBFXWGTEWPGMP-ZENTWMBTSA-N -2 0 565.595 2.720 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@]1(Cc2ccsc2C(=O)[O-])Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000028635226 561940952 /nfs/dbraw/zinc/94/09/52/561940952.db2.gz VVBFXWGTEWPGMP-FIAZIHOUSA-N -2 0 565.595 2.720 1 0 KFAFRL O=C([O-])C(=O)c1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(C(=O)C(=O)[O-])cc5)nn4)c3)nn2)cc1 ZINC000028640407 561942923 /nfs/dbraw/zinc/94/29/23/561942923.db2.gz KVICYWWVKNWIFS-UHFFFAOYSA-N -2 0 508.450 2.717 1 0 KFAFRL CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(=O)([O-])[O-])cc3)NC(C)=O)C2=O)cc1 ZINC000028756134 561956061 /nfs/dbraw/zinc/95/60/61/561956061.db2.gz HGFLNWGOEQHTGX-DQEYMECFSA-N -2 0 545.573 2.855 1 0 KFAFRL CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCCC(=O)[O-])C(=O)[O-])cc1 ZINC000028763317 561958658 /nfs/dbraw/zinc/95/86/58/561958658.db2.gz YJXSKQUFQMCYMU-IBGZPJMESA-N -2 0 538.609 2.609 1 0 KFAFRL CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCCCCCC(=O)[O-])C(=O)[O-])cc1 ZINC000028763319 561958676 /nfs/dbraw/zinc/95/86/76/561958676.db2.gz YJXSKQUFQMCYMU-LJQANCHMSA-N -2 0 538.609 2.609 1 0 KFAFRL CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCCCC(=O)[O-])C(=O)[O-])cc1 ZINC000028764877 561959295 /nfs/dbraw/zinc/95/92/95/561959295.db2.gz FULMXKJWMKHWBC-FQEVSTJZSA-N -2 0 552.636 2.999 1 0 KFAFRL CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCCCCCCC(=O)[O-])C(=O)[O-])cc1 ZINC000028764879 561959296 /nfs/dbraw/zinc/95/92/96/561959296.db2.gz FULMXKJWMKHWBC-HXUWFJFHSA-N -2 0 552.636 2.999 1 0 KFAFRL Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCCCCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1 ZINC000028765579 561959519 /nfs/dbraw/zinc/95/95/19/561959519.db2.gz OYDJGOAUHPOFGK-IBGZPJMESA-N -2 0 538.609 2.975 1 0 KFAFRL Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCCCCCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1 ZINC000028765581 561959538 /nfs/dbraw/zinc/95/95/38/561959538.db2.gz OYDJGOAUHPOFGK-LJQANCHMSA-N -2 0 538.609 2.975 1 0 KFAFRL O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(NC(=O)C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000029050776 561994249 /nfs/dbraw/zinc/99/42/49/561994249.db2.gz CJINCZOBTJIWBI-UHFFFAOYSA-N -3 0 626.625 2.781 1 0 KFAFRL O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(S(=O)(=O)CC(=O)[O-])cc2)cc1 ZINC000029051032 561994403 /nfs/dbraw/zinc/99/44/03/561994403.db2.gz UKHLVJIIEYVHGJ-UHFFFAOYSA-N -2 0 617.683 2.918 1 0 KFAFRL CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000029051606 561994483 /nfs/dbraw/zinc/99/44/83/561994483.db2.gz OPZQQVHHLPJGAP-IGKWTDBASA-N -2 0 559.560 2.814 1 0 KFAFRL O=C([O-])[C@@H](O)CN(CCN1C(=O)c2cccc3cccc(c32)C1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000029128218 562000742 /nfs/dbraw/zinc/00/07/42/562000742.db2.gz GHAAEYINJLFABM-DQEYMECFSA-N -2 0 569.570 2.742 1 0 KFAFRL CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 ZINC000029135158 562004302 /nfs/dbraw/zinc/00/43/02/562004302.db2.gz QTKKDOOCIUSVCW-WJXSMWEMSA-N -2 0 576.547 2.888 1 0 KFAFRL CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](Cc3ccccc3)O[C@H]21 ZINC000029135160 562004430 /nfs/dbraw/zinc/00/44/30/562004430.db2.gz QTKKDOOCIUSVCW-DVGNJRHJSA-N -2 0 576.547 2.888 1 0 KFAFRL O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](Cc3ccccc3)O[C@H]21 ZINC000029135213 562004510 /nfs/dbraw/zinc/00/45/10/562004510.db2.gz BLCWURQLZWBGTF-DVGNJRHJSA-N -2 0 568.483 2.830 1 0 KFAFRL O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 ZINC000029135215 562004535 /nfs/dbraw/zinc/00/45/35/562004535.db2.gz BLCWURQLZWBGTF-WJXSMWEMSA-N -2 0 568.483 2.830 1 0 KFAFRL O=C([O-])CN(CC(=O)[O-])c1ccc(Cl)cc1OCCOc1cc2cc(-c3ncc(C(=O)[O-])o3)oc2cc1N(CC(=O)[O-])CC(=O)[O-] ZINC000029321740 562013038 /nfs/dbraw/zinc/01/30/38/562013038.db2.gz RPZXQWRHPFVWBC-UHFFFAOYSA-N -5 0 661.960 2.848 1 0 KFAFRL NC(=O)C[C@H](NC(=O)C1(C[P@@](=O)([O-])[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCC1)C(=O)[O-] ZINC000029391291 562017456 /nfs/dbraw/zinc/01/74/56/562017456.db2.gz GQTNIVGVTLVOSP-JTHBVZDNSA-N -2 0 559.556 2.757 1 0 KFAFRL O=C([O-])CC[C@@H](NC(=O)c1ccc(N(CCF)Cc2ccc3nc(CF)[nH]c(=O)c3c2)s1)C(=O)[O-] ZINC000029392744 562017754 /nfs/dbraw/zinc/01/77/54/562017754.db2.gz GOLAKUGCJQDMTM-OAHLLOKOSA-N -2 0 508.503 2.890 1 0 KFAFRL Nc1cc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3)cnc2c1 ZINC000029410904 562021729 /nfs/dbraw/zinc/02/17/29/562021729.db2.gz SMHQRTGALSGLOZ-DEOSSOPVSA-N -2 0 570.606 2.671 1 0 KFAFRL Nc1cc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3)cnc2c1 ZINC000029410907 562021689 /nfs/dbraw/zinc/02/16/89/562021689.db2.gz SMHQRTGALSGLOZ-XMMPIXPASA-N -2 0 570.606 2.671 1 0 KFAFRL COc1ccc(CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)NC(=O)Cc2cccc3ccccc32)cc1 ZINC000029465213 562024199 /nfs/dbraw/zinc/02/41/99/562024199.db2.gz UGAAYTDZDQQBFI-KYJUHHDHSA-N -2 0 668.703 2.808 1 0 KFAFRL COc1ccc(CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000029465216 562024207 /nfs/dbraw/zinc/02/42/07/562024207.db2.gz LWSAARNCDXYETE-KYJUHHDHSA-N -2 0 668.703 2.808 1 0 KFAFRL COc1ccc(CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc([C@@H](O)C(=O)[O-])cc2)NC(=O)Cc2cccc3ccccc32)cc1 ZINC000029465231 562024179 /nfs/dbraw/zinc/02/41/79/562024179.db2.gz CWBRCJICBAXKBD-WSZLSEGOSA-N -2 0 655.704 2.902 1 0 KFAFRL COc1ccc(CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc([C@H](O)C(=O)[O-])cc2)NC(=O)Cc2cccc3ccccc32)cc1 ZINC000029465234 562024188 /nfs/dbraw/zinc/02/41/88/562024188.db2.gz CWBRCJICBAXKBD-NGCAANIMSA-N -2 0 655.704 2.902 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OCc2nnn[n-]2)c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029474936 562026299 /nfs/dbraw/zinc/02/62/99/562026299.db2.gz OQLPCYRDICMSFP-ZEQRLZLVSA-N -2 0 623.711 2.947 1 0 KFAFRL N=C(N)[N-]S(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-] ZINC000029480288 562027077 /nfs/dbraw/zinc/02/70/77/562027077.db2.gz LJXMKECWBSWYOK-UHFFFAOYSA-N -2 0 558.828 2.607 1 0 KFAFRL CCCC[C@H](NC(=O)CCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CC)c1)NC(C)=O)C(=O)[O-] ZINC000029546714 562030054 /nfs/dbraw/zinc/03/00/54/562030054.db2.gz RHLVQCYCENTGQZ-LOSJGSFVSA-N -3 0 654.717 2.790 1 0 KFAFRL CCCC[C@H](NC(=O)CCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CC)c1)NC(C)=O)C(=O)[O-] ZINC000029546717 562030050 /nfs/dbraw/zinc/03/00/50/562030050.db2.gz RHLVQCYCENTGQZ-DQEYMECFSA-N -3 0 654.717 2.790 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029549531 562030725 /nfs/dbraw/zinc/03/07/25/562030725.db2.gz DRMQDRKEWJYGAP-IZLXSDGUSA-N -3 0 688.734 2.842 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029549535 562030711 /nfs/dbraw/zinc/03/07/11/562030711.db2.gz DRMQDRKEWJYGAP-NSOVKSMOSA-N -3 0 688.734 2.842 1 0 KFAFRL CCSCC[C@H](NC(=O)CCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CC)c1)NC(C)=O)C(=O)[O-] ZINC000029551200 562031054 /nfs/dbraw/zinc/03/10/54/562031054.db2.gz FHVZPHJYSOAMGV-LOSJGSFVSA-N -3 0 686.784 2.743 1 0 KFAFRL CCSCC[C@H](NC(=O)CCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CC)c1)NC(C)=O)C(=O)[O-] ZINC000029551203 562031063 /nfs/dbraw/zinc/03/10/63/562031063.db2.gz FHVZPHJYSOAMGV-DQEYMECFSA-N -3 0 686.784 2.743 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029556817 562032319 /nfs/dbraw/zinc/03/23/19/562032319.db2.gz PKLOTZYRQCNNNX-MWMGYGRKSA-N -3 0 654.717 2.646 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029556821 562032315 /nfs/dbraw/zinc/03/23/15/562032315.db2.gz PKLOTZYRQCNNNX-QHPDVLMOSA-N -3 0 654.717 2.646 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029556825 562032306 /nfs/dbraw/zinc/03/23/06/562032306.db2.gz PKLOTZYRQCNNNX-RPMAOODUSA-N -3 0 654.717 2.646 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000029556829 562032279 /nfs/dbraw/zinc/03/22/79/562032279.db2.gz PKLOTZYRQCNNNX-LLIYUYTPSA-N -3 0 654.717 2.646 1 0 KFAFRL CC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000029558283 562032572 /nfs/dbraw/zinc/03/25/72/562032572.db2.gz MJXIDCYMAKGNKJ-GOTSBHOMSA-N -2 0 525.583 2.919 1 0 KFAFRL O=S(=O)([O-])c1cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c(Nc2ccnc3ccccc32)c1 ZINC000031871085 562036629 /nfs/dbraw/zinc/03/66/29/562036629.db2.gz RQDHZQHVOYZQJK-UHFFFAOYSA-N -3 0 510.527 2.872 1 0 KFAFRL COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199139 560087597 /nfs/dbraw/zinc/08/75/97/560087597.db2.gz NGMYNFJANBHLKA-HMZSXBGCSA-N -2 0 514.527 2.595 1 0 biogenic,in-vitro KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@@H](C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000034803503 562042559 /nfs/dbraw/zinc/04/25/59/562042559.db2.gz KDZKXRKBUQDZEV-GHKZOEQRSA-N -3 0 652.734 2.617 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC[C@H](C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000034803508 562042605 /nfs/dbraw/zinc/04/26/05/562042605.db2.gz KDZKXRKBUQDZEV-XLCTVKAJSA-N -3 0 652.734 2.617 1 0 KFAFRL O=C([O-])C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CC(=O)[O-])n1)c1ccc2c(c1)OCO2 ZINC000036269257 562052934 /nfs/dbraw/zinc/05/29/34/562052934.db2.gz SHCPBSMGQZIVTA-SFHVURJKSA-N -2 0 508.531 2.872 1 0 KFAFRL O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CC(=O)[O-])n1)c1ccc2c(c1)OCO2 ZINC000036269261 562052926 /nfs/dbraw/zinc/05/29/26/562052926.db2.gz SHCPBSMGQZIVTA-GOSISDBHSA-N -2 0 508.531 2.872 1 0 KFAFRL CCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O)C(=O)N(CCCC(=O)[O-])CCCc1ccccc1 ZINC000037858207 562061823 /nfs/dbraw/zinc/06/18/23/562061823.db2.gz WLAWTJMWDAUUAX-UIOOFZCWSA-N -3 0 605.625 2.816 1 0 KFAFRL CCC[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O)C(=O)N(CCCC(=O)[O-])CCCc1ccccc1 ZINC000037858208 562061746 /nfs/dbraw/zinc/06/17/46/562061746.db2.gz WLAWTJMWDAUUAX-FTJBHMTQSA-N -3 0 605.625 2.816 1 0 KFAFRL O=C([O-])CC[C@H](NC(=O)C[C@@H]1O[C@H](COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)[C@H](O)[C@H](O)[C@@H]1O)C(=O)[O-] ZINC000037866021 562062289 /nfs/dbraw/zinc/06/22/89/562062289.db2.gz BYDYKRQSJGPAOL-FJWMPBCPSA-N -2 0 653.681 2.895 1 0 KFAFRL CCCC/C=C\c1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@]3(COP(=O)([O-])[O-])C[C@H]23)c(NC)n1 ZINC000038156741 562068448 /nfs/dbraw/zinc/06/84/48/562068448.db2.gz FXDYKJMOVOJLMM-OKPOKPAZSA-N -4 0 517.416 2.610 1 0 KFAFRL C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000039204008 562072811 /nfs/dbraw/zinc/07/28/11/562072811.db2.gz XZJFCDBLIMGOSX-VRLLXNLQSA-N -3 0 555.527 2.728 1 0 in-vitro KFAFRL Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1 ZINC000040424100 562076345 /nfs/dbraw/zinc/07/63/45/562076345.db2.gz SDRLYZWSSWDGRX-SFHVURJKSA-N -2 0 500.577 2.960 1 0 KFAFRL CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000040651210 562078820 /nfs/dbraw/zinc/07/88/20/562078820.db2.gz LSBJYKCMZGPGPG-LEWJYISDSA-N -2 0 505.508 2.872 1 0 KFAFRL Cc1cccc(S(=O)(=O)[N-]C(=O)NCCCCCCNC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000040847618 562080417 /nfs/dbraw/zinc/08/04/17/562080417.db2.gz JEYYWGCOZYHPDV-UHFFFAOYSA-N -2 0 510.638 2.540 1 0 KFAFRL Cc1cccc(S(=O)(=O)[N-]C(=O)NCCCCCCCNC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000040848742 562080550 /nfs/dbraw/zinc/08/05/50/562080550.db2.gz AZJGRTIUYUMPSR-UHFFFAOYSA-N -2 0 524.665 2.930 1 0 KFAFRL Cc1ccc(-c2nn(-c3cccc(C(=O)NCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c3)c3ncnc(N)c23)cc1 ZINC000042201523 562087481 /nfs/dbraw/zinc/08/74/81/562087481.db2.gz LXKOQGBFZRRTSK-UHFFFAOYSA-N -2 0 544.445 2.899 1 0 KFAFRL COc1cc(COC(=O)CCC(=O)[O-])c(-c2cc3c(cc2COC(=O)CCC(=O)[O-])OCO3)c(OC)c1OC ZINC000044430344 562657499 /nfs/dbraw/zinc/65/74/99/562657499.db2.gz QTERKZOWBATMDD-UHFFFAOYSA-N -2 0 548.497 2.924 1 0 KFAFRL C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](OS(=O)(=O)[O-])C[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3C[C@H](OS(=O)(=O)[O-])[C@]12C ZINC000049592957 562664959 /nfs/dbraw/zinc/66/49/59/562664959.db2.gz BPLISKQNKOOMGO-OELDTZBJSA-N -4 0 648.771 2.930 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2cccs2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049614685 562666564 /nfs/dbraw/zinc/66/65/64/562666564.db2.gz PWTDUBXYYDWONP-UIOOFZCWSA-N -3 0 694.763 2.904 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2cccs2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049614688 562666584 /nfs/dbraw/zinc/66/65/84/562666584.db2.gz PWTDUBXYYDWONP-FTJBHMTQSA-N -3 0 694.763 2.904 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](Cc2cccs2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049614692 562666565 /nfs/dbraw/zinc/66/65/65/562666565.db2.gz PWTDUBXYYDWONP-IZZNHLLZSA-N -3 0 694.763 2.904 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@H](Cc2cccs2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049614695 562666579 /nfs/dbraw/zinc/66/65/79/562666579.db2.gz PWTDUBXYYDWONP-CLJLJLNGSA-N -3 0 694.763 2.904 1 0 KFAFRL CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049614997 562666608 /nfs/dbraw/zinc/66/66/08/562666608.db2.gz CSFGNKSFHPPXHC-NSOVKSMOSA-N -3 0 704.733 2.548 1 0 KFAFRL CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000049615001 562666620 /nfs/dbraw/zinc/66/66/20/562666620.db2.gz CSFGNKSFHPPXHC-IZLXSDGUSA-N -3 0 704.733 2.548 1 0 KFAFRL COCC[C@H](CN(C(=O)C(=O)[O-])c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)[O-] ZINC000049650197 562668064 /nfs/dbraw/zinc/66/80/64/562668064.db2.gz BCGYMXXGBPUVOR-VWNXMTODSA-N -2 0 703.742 2.745 1 0 KFAFRL COCC[C@H](CN(C(=O)C(=O)[O-])c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)[O-] ZINC000049650198 562668035 /nfs/dbraw/zinc/66/80/35/562668035.db2.gz BCGYMXXGBPUVOR-ISKFKSNPSA-N -2 0 703.742 2.745 1 0 KFAFRL COCC[C@@H](CN(C(=O)C(=O)[O-])c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)[O-] ZINC000049650199 562668065 /nfs/dbraw/zinc/66/80/65/562668065.db2.gz BCGYMXXGBPUVOR-UPVQGACJSA-N -2 0 703.742 2.745 1 0 KFAFRL COCC[C@@H](CN(C(=O)C(=O)[O-])c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)cc1)C(=O)[O-] ZINC000049650200 562668071 /nfs/dbraw/zinc/66/80/71/562668071.db2.gz BCGYMXXGBPUVOR-LADGPHEKSA-N -2 0 703.742 2.745 1 0 KFAFRL NC(=O)CNc1nc(Nc2ccc(OP(=O)([O-])[O-])cc2)nc(-c2cccc(Oc3ccc(OP(=O)([O-])[O-])cc3)c2)n1 ZINC000049694939 562670013 /nfs/dbraw/zinc/67/00/13/562670013.db2.gz RZLDXQNAQPKECH-UHFFFAOYSA-N -4 0 604.409 2.915 1 0 KFAFRL CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)[C@@H](C)OCc1ccccc1 ZINC000049695326 562670392 /nfs/dbraw/zinc/67/03/92/562670392.db2.gz SIYQPPOBIWXTLC-SNBLTDCOSA-N -2 0 684.727 2.905 1 0 KFAFRL CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)COCc1ccccc1 ZINC000049695375 562670466 /nfs/dbraw/zinc/67/04/66/562670466.db2.gz CINCFYVTKZKQQZ-IHUDFSJGSA-N -2 0 658.689 2.660 1 0 KFAFRL NC(=O)CNc1nc(Nc2ccc(OP(=O)([O-])[O-])cc2)nc(-c2ccccc2Oc2ccc(OP(=O)([O-])[O-])cc2)n1 ZINC000049695387 562670488 /nfs/dbraw/zinc/67/04/88/562670488.db2.gz DYTNXJPDDLDTDP-UHFFFAOYSA-N -4 0 604.409 2.915 1 0 KFAFRL CCCC[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1 ZINC000049708294 562670864 /nfs/dbraw/zinc/67/08/64/562670864.db2.gz AMGMPBNXKNDPNW-UORUKHMBSA-N -2 0 594.646 2.634 1 0 KFAFRL CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)COCc1ccccc1 ZINC000049723070 562672929 /nfs/dbraw/zinc/67/29/29/562672929.db2.gz IFSGXKBOZIROKK-JLEXZSOGSA-N -2 0 670.700 2.516 1 0 KFAFRL CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOCc1ccccc1 ZINC000049723071 562672937 /nfs/dbraw/zinc/67/29/37/562672937.db2.gz STTDGHNHQFLQEZ-YTQIZTLQSA-N -2 0 599.621 2.882 1 0 KFAFRL CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](COC(N)=O)[C@@H](C)OCc1ccccc1 ZINC000049723174 562673021 /nfs/dbraw/zinc/67/30/21/562673021.db2.gz JOQLWLWWTUURJK-HNPVGXPJSA-N -2 0 674.688 2.879 1 0 KFAFRL O=C([O-])c1ccc(O)c(-c2nc(C(=O)NCCOCCOCCNC(=O)c3csc(-c4cc(C(=O)[O-])ccc4O)n3)cs2)c1 ZINC000049756038 562674752 /nfs/dbraw/zinc/67/47/52/562674752.db2.gz DTZCAXUBQULDKT-UHFFFAOYSA-N -2 0 642.668 2.934 1 0 KFAFRL O=C([O-])[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cccs1)C(=O)[O-] ZINC000049756840 562675256 /nfs/dbraw/zinc/67/52/56/562675256.db2.gz JNZMWLDZTWGOLG-IRXDYDNUSA-N -2 0 573.409 2.701 1 0 KFAFRL O=C([O-])[C@@H](Cc1cccs1)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)[O-] ZINC000049757140 562675607 /nfs/dbraw/zinc/67/56/07/562675607.db2.gz JNZMWLDZTWGOLG-DLBZAZTESA-N -2 0 573.409 2.701 1 0 KFAFRL O=C([O-])C(=O)N[C@H](Cc1ccc(OC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1)C(=O)[O-] ZINC000049766956 562677331 /nfs/dbraw/zinc/67/73/31/562677331.db2.gz JWCCZAPLQTWEBE-MRXNPFEDSA-N -2 0 525.823 2.960 1 0 KFAFRL O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 ZINC000049807886 562686465 /nfs/dbraw/zinc/68/64/65/562686465.db2.gz UUVIIETYGXJNFI-WJXSMWEMSA-N -3 0 648.462 2.947 1 0 KFAFRL CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(C/C=C(\C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(=O)[O-])[C@](O)(C(=O)[O-])[C@@H](C(=O)[O-])O2 ZINC000049823349 562687154 /nfs/dbraw/zinc/68/71/54/562687154.db2.gz YEGHFZACJRHPBH-VZMQYPRRSA-N -3 0 650.718 2.537 1 0 KFAFRL COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc(OC)c1OC ZINC000049877580 562690200 /nfs/dbraw/zinc/69/02/00/562690200.db2.gz ZANUNWQWTQAZRE-QGZVFWFLSA-N -2 0 578.625 2.572 1 0 KFAFRL CC[C@H](C)[C@H](C(=O)[O-])N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000058513544 562698497 /nfs/dbraw/zinc/69/84/97/562698497.db2.gz YHJNTLKXPXYSDG-WUDILMSSSA-N -2 0 644.762 2.794 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 ZINC000058661305 562701426 /nfs/dbraw/zinc/70/14/26/562701426.db2.gz KOVQMCGGWATESY-VXKWHMMOSA-N -2 0 585.013 2.779 1 0 in-vitro KFAFRL Nc1nc2sc3cccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C5=O)c3c2c(=O)[nH]1 ZINC000066165938 562714007 /nfs/dbraw/zinc/71/40/07/562714007.db2.gz QPDXRVRRCIFNSL-HNNXBMFYSA-N -2 0 507.528 2.606 1 0 in-vitro KFAFRL COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2COS(=O)(=O)[O-])ccc1O ZINC000072105375 562720783 /nfs/dbraw/zinc/72/07/83/562720783.db2.gz BRRUHUASKVUYLZ-GBXCKJPGSA-N -2 0 560.489 2.992 1 0 KFAFRL COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2COS(=O)(=O)[O-])ccc1O ZINC000072105376 562720806 /nfs/dbraw/zinc/72/08/06/562720806.db2.gz BRRUHUASKVUYLZ-RDPSFJRHSA-N -2 0 560.489 2.992 1 0 KFAFRL COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2COS(=O)(=O)[O-])ccc1O ZINC000072105377 562720809 /nfs/dbraw/zinc/72/08/09/562720809.db2.gz BRRUHUASKVUYLZ-HYBUGGRVSA-N -2 0 560.489 2.992 1 0 KFAFRL COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2COS(=O)(=O)[O-])ccc1O ZINC000072105378 562720817 /nfs/dbraw/zinc/72/08/17/562720817.db2.gz BRRUHUASKVUYLZ-YKSBVNFPSA-N -2 0 560.489 2.992 1 0 KFAFRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)[N-]C(=O)NC4=O)CC3)c2)no1 ZINC000072107347 562721213 /nfs/dbraw/zinc/72/12/13/562721213.db2.gz WGBMLJASUBPVSN-UHFFFAOYSA-N -2 0 658.693 2.986 1 0 KFAFRL O=C([O-])CC[C@@H](NC(=O)c1cc(CNc2ccc(C=C3SC(=O)NC3=O)cc2)ccc1F)C(=O)[O-] ZINC000072107853 562721389 /nfs/dbraw/zinc/72/13/89/562721389.db2.gz SPIONKONZZBOFH-RMFUMNGISA-N -2 0 501.492 2.810 1 0 KFAFRL Cc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)c([N-]S(C)(=O)=O)c1 ZINC000072110816 562721844 /nfs/dbraw/zinc/72/18/44/562721844.db2.gz FOAPZIUAOJQVMW-UHFFFAOYSA-N -2 0 605.673 2.568 1 0 KFAFRL O=C([O-])CC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000072131624 562726660 /nfs/dbraw/zinc/72/66/60/562726660.db2.gz UKQIVPSRYGGWSX-ORYMTKCHSA-N -2 0 678.746 2.553 1 0 KFAFRL CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-] ZINC000072171822 562730537 /nfs/dbraw/zinc/73/05/37/562730537.db2.gz BKPFVUCQPXAMRL-HSZRJFAPSA-N -2 0 661.664 2.917 1 0 in-vivo KFAFRL CCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)[O-])C(=O)[O-] ZINC000073198758 562735849 /nfs/dbraw/zinc/73/58/49/562735849.db2.gz HRAPTOQHTHNTQY-HOTGVXAUSA-N -2 0 533.363 2.587 1 0 KFAFRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2OCC(=O)[O-])cc1)C(=O)[O-] ZINC000073199046 562735908 /nfs/dbraw/zinc/73/59/08/562735908.db2.gz VSMGLGNFYYANBX-DZGUVLCISA-N -3 0 610.644 2.654 1 0 KFAFRL O=S(=O)([O-])c1cc2c(S(=O)(=O)[O-])ccc(Nc3ccnc4ccccc43)c2c(S(=O)(=O)[O-])c1 ZINC000073242536 562736974 /nfs/dbraw/zinc/73/69/74/562736974.db2.gz HZXKGLPNPJGRGA-UHFFFAOYSA-N -2 0 510.527 2.872 1 0 KFAFRL COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCC(COC(=O)CCC(=O)[O-])CC2)cc1NC(=O)CCC(=O)[O-] ZINC000073279645 562737431 /nfs/dbraw/zinc/73/74/31/562737431.db2.gz PRDHHOYRFMTLDT-UHFFFAOYSA-N -2 0 635.692 2.610 1 0 in-vitro KFAFRL COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCC(CC(=O)[O-])CC2)cc1NC(=O)CCC(=O)[O-] ZINC000073280263 562737450 /nfs/dbraw/zinc/73/74/50/562737450.db2.gz BMIKOSBWXPCSLE-UHFFFAOYSA-N -2 0 563.629 2.677 1 0 KFAFRL CCOC(=O)c1c([O-])c(C(c2ccc(F)cc2)c2c([O-])c(C(=O)OCC)c(OCC)[nH]c2=O)c(=O)[nH]c1OCC ZINC000073296170 562737712 /nfs/dbraw/zinc/73/77/12/562737712.db2.gz KALQWLGRPVYYBZ-UHFFFAOYSA-N -2 0 560.531 2.945 1 0 KFAFRL CCOC(=O)c1c([O-])c(C(c2cccs2)c2c(=O)[nH]c(OCC)c(C(=O)OCC)c2[O-])c(=O)[nH]c1OCC ZINC000073315522 562738044 /nfs/dbraw/zinc/73/80/44/562738044.db2.gz QWEIRSUQMPTIKN-UHFFFAOYSA-N -2 0 548.570 2.867 1 0 KFAFRL CCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)[O-])C(=O)[O-] ZINC000082152277 562740054 /nfs/dbraw/zinc/74/00/54/562740054.db2.gz FUDOTVAFAPVJGO-IRXDYDNUSA-N -2 0 547.390 2.977 1 0 KFAFRL O=S(=O)([N-]c1nc([N-]S(=O)(=O)c2ccccc2)nc(-c2ccc3c(c2)OCO3)n1)c1ccccc1 ZINC000082158067 562741029 /nfs/dbraw/zinc/74/10/29/562741029.db2.gz VNCJHRDKFYEYDD-UHFFFAOYSA-N -2 0 511.541 2.869 1 0 KFAFRL CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)([O-])[O-])NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000084616862 562744715 /nfs/dbraw/zinc/74/47/15/562744715.db2.gz PQDJSMDUNMWELB-KRCBVYEFSA-N -3 0 708.705 2.505 1 0 KFAFRL COc1cc([C@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc([O-])c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000084617762 562744937 /nfs/dbraw/zinc/74/49/37/562744937.db2.gz DYOANEHWBRCWNM-GBXCKJPGSA-N -2 0 560.489 2.640 1 0 KFAFRL COc1cc([C@@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc([O-])c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000084617763 562744958 /nfs/dbraw/zinc/74/49/58/562744958.db2.gz DYOANEHWBRCWNM-RDPSFJRHSA-N -2 0 560.489 2.640 1 0 KFAFRL COc1cc([C@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc([O-])c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000084617766 562744974 /nfs/dbraw/zinc/74/49/74/562744974.db2.gz DYOANEHWBRCWNM-HYBUGGRVSA-N -2 0 560.489 2.640 1 0 KFAFRL COc1cc([C@@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc([O-])c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000084617767 562744950 /nfs/dbraw/zinc/74/49/50/562744950.db2.gz DYOANEHWBRCWNM-YKSBVNFPSA-N -2 0 560.489 2.640 1 0 KFAFRL O=S(=O)(Cc1nnc(CS(=O)(=O)c2cn[n-]c2S(=O)(=O)c2ccc(Cl)cc2)o1)[N-]c1ccc(Cl)cc1 ZINC000084668572 562747643 /nfs/dbraw/zinc/74/76/43/562747643.db2.gz JQJVPMAZLWIRPZ-UHFFFAOYSA-N -2 0 592.464 2.848 1 0 KFAFRL Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(=O)[O-])C(=O)[O-])cc3)cc2s1 ZINC000084687867 562749015 /nfs/dbraw/zinc/74/90/15/562749015.db2.gz YPEMYPUMNYOIMU-UHFFFAOYSA-N -2 0 514.560 2.639 1 0 in-vitro KFAFRL COc1cc(COC(=O)CCC(=O)[O-])c(-c2c3c(c(OC)cc2COC(=O)CCC(=O)[O-])OCO3)c2c1OCO2 ZINC000084741787 562752217 /nfs/dbraw/zinc/75/22/17/562752217.db2.gz OHKOQOZYJGBOAH-UHFFFAOYSA-N -2 0 562.480 2.644 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCC(=O)[O-] ZINC000084758643 562752682 /nfs/dbraw/zinc/75/26/82/562752682.db2.gz ISNKTZRVRLHEQL-URLMMPGGSA-N -3 0 703.745 2.760 1 0 KFAFRL C[C@H](CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)[O-])C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)NCCS(=O)(=O)[O-] ZINC000084835614 562753008 /nfs/dbraw/zinc/75/30/08/562753008.db2.gz PHTARZWWYRIHDQ-YVIGIMIUSA-N -2 0 601.803 2.849 1 0 KFAFRL C[C@H](CCC[C@H](C)C(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)[O-])C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000084835618 562753009 /nfs/dbraw/zinc/75/30/09/562753009.db2.gz PHTARZWWYRIHDQ-BDHBQCRWSA-N -2 0 601.803 2.849 1 0 KFAFRL C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)[O-])C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)NCCS(=O)(=O)[O-] ZINC000084835619 562753025 /nfs/dbraw/zinc/75/30/25/562753025.db2.gz PHTARZWWYRIHDQ-PJAMGKMUSA-N -2 0 601.803 2.849 1 0 KFAFRL C[C@H](CCC[C@H](C)C(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@]4(C(=O)[O-])C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000084835622 562753010 /nfs/dbraw/zinc/75/30/10/562753010.db2.gz PHTARZWWYRIHDQ-VZEXBPDHSA-N -2 0 601.803 2.849 1 0 KFAFRL CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-] ZINC000085589314 571784772 /nfs/dbraw/zinc/78/47/72/571784772.db2.gz OSBTVMNXIHRFGN-KERZFGRDSA-N -2 0 623.769 2.553 1 0 endogenous,in-man KFAFRL CCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(NCC(F)(F)F)n1 ZINC000095539289 562754958 /nfs/dbraw/zinc/75/49/58/562754958.db2.gz NTOLHRVIZNIJCW-QYVSTXNMSA-N -4 0 730.272 2.507 1 0 KFAFRL CCCCOc1ccc(C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1 ZINC000095541512 562756165 /nfs/dbraw/zinc/75/61/65/562756165.db2.gz MKDDIVGPKNUOMN-AZLXTYJFSA-N -2 0 797.947 2.568 1 0 KFAFRL CCCCOc1ccc(C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1 ZINC000095541513 562756174 /nfs/dbraw/zinc/75/61/74/562756174.db2.gz MKDDIVGPKNUOMN-LJYMOBEQSA-N -2 0 797.947 2.568 1 0 KFAFRL C=C(C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc1ccccc1)OC)NC(C)=O)C(=O)[O-] ZINC000095542312 562756664 /nfs/dbraw/zinc/75/66/64/562756664.db2.gz NEZLKUORZKVIDX-GJDRZGEXSA-N -2 0 769.937 2.965 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C(F)(C(=O)[O-])C(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095544006 562757574 /nfs/dbraw/zinc/75/75/74/562757574.db2.gz GEOZSIBJGVBLFL-DTXPUJKBSA-N -3 0 748.761 2.836 1 0 KFAFRL CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000095558268 562762388 /nfs/dbraw/zinc/76/23/88/562762388.db2.gz FPWDWJOHGQPEHP-CVUOCSEZSA-N -2 0 806.313 2.515 1 0 KFAFRL O=c1c2ccccc2nc(-c2ccc(OS(=O)(=O)[O-])cc2)n1Cc1cn(CCn2cc(Cn3c(=O)c4ccccc4nc3-c3ccc(OS(=O)(=O)[O-])cc3)nn2)nn1 ZINC000095583024 562772802 /nfs/dbraw/zinc/77/28/02/562772802.db2.gz ZINFFAVIEVADBS-UHFFFAOYSA-N -2 0 824.814 2.783 1 0 KFAFRL NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095584052 562773127 /nfs/dbraw/zinc/77/31/27/562773127.db2.gz KKQDADQULDTORZ-ZEQRLZLVSA-N -2 0 609.528 2.591 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095584224 562773200 /nfs/dbraw/zinc/77/32/00/562773200.db2.gz ATRZHDZEAZOQEJ-DQEYMECFSA-N -2 0 623.555 2.981 1 0 KFAFRL CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n[nH]1)C(=O)[O-] ZINC000095591786 562775744 /nfs/dbraw/zinc/77/57/44/562775744.db2.gz UYWDJZOARTZSAE-SCVYSYFFSA-N -2 0 813.894 2.996 1 0 KFAFRL COc1cc(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COc2cc(F)cc(-c3ccc(C(=O)[O-])cn3)c2)c(Cl)cc1NC(=O)CSc1ccc(C(=O)[O-])cn1 ZINC000095593087 562776098 /nfs/dbraw/zinc/77/60/98/562776098.db2.gz HTDBANWISVPXTR-FRGOEROOSA-N -2 0 748.138 2.973 1 0 KFAFRL COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(-c3ccc(C(=O)[O-])cn3)c2)c(Cl)cc1NC(=O)CSc1ccc(C(=O)[O-])cn1 ZINC000095594374 562776458 /nfs/dbraw/zinc/77/64/58/562776458.db2.gz HTDBANWISVPXTR-KWINWIPXSA-N -2 0 748.138 2.973 1 0 in-vitro KFAFRL Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O[P@](=O)([O-])CO[C@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)C1 ZINC000095607175 562782655 /nfs/dbraw/zinc/78/26/55/562782655.db2.gz GVZAEXKUARHYGT-SYMSYNOKSA-N -4 0 798.427 2.843 1 0 KFAFRL Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O[P@](=O)([O-])CO[C@@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)C1 ZINC000095607176 562782649 /nfs/dbraw/zinc/78/26/49/562782649.db2.gz GVZAEXKUARHYGT-FPCVCCKLSA-N -4 0 798.427 2.843 1 0 KFAFRL Nc1ncnc2c1ncn2[C@H]1C=C[C@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O[P@](=O)([O-])CO[C@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)C1 ZINC000095607177 562782658 /nfs/dbraw/zinc/78/26/58/562782658.db2.gz GVZAEXKUARHYGT-FZKCQIBNSA-N -4 0 798.427 2.843 1 0 KFAFRL Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O[P@](=O)([O-])CO[C@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)C1 ZINC000095607178 562782652 /nfs/dbraw/zinc/78/26/52/562782652.db2.gz GVZAEXKUARHYGT-WCVJEAGWSA-N -4 0 798.427 2.843 1 0 KFAFRL C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000095608165 562783408 /nfs/dbraw/zinc/78/34/08/562783408.db2.gz HNHZIUYKKKTTHG-IAZRSJDESA-N -2 0 752.777 2.824 1 0 KFAFRL Cc1c(CCC(=O)[O-])c[nH]c1Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(CO)c(CC(=O)[O-])c3CCC(=O)[O-])c(CC(=O)[O-])c2CCC(=O)[O-])c(CC(=O)[O-])c1CCC(=O)[O-] ZINC000095608200 562783403 /nfs/dbraw/zinc/78/34/03/562783403.db2.gz XMSSFQOFQIXHTF-UHFFFAOYSA-N -7 0 810.810 2.522 1 0 KFAFRL CC(C)C[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000095609817 562784031 /nfs/dbraw/zinc/78/40/31/562784031.db2.gz OTLPMXQDMUHLHI-MHOMWLESSA-N -2 0 775.900 2.543 1 0 KFAFRL CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000095609818 562784029 /nfs/dbraw/zinc/78/40/29/562784029.db2.gz OTLPMXQDMUHLHI-QCFKMHFMSA-N -2 0 775.900 2.543 1 0 KFAFRL CC(C)C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000095609927 562784086 /nfs/dbraw/zinc/78/40/86/562784086.db2.gz NILOMIOLUGKZLK-KVWFUENSSA-N -2 0 815.965 2.985 1 0 KFAFRL CC(C)C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC000095609928 562784087 /nfs/dbraw/zinc/78/40/87/562784087.db2.gz NILOMIOLUGKZLK-UINNXZPASA-N -2 0 815.965 2.985 1 0 KFAFRL CN(C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000095612269 562785361 /nfs/dbraw/zinc/78/53/61/562785361.db2.gz BIDXLQGPKGCOIV-UWNKZCSISA-N -2 0 744.794 2.599 1 0 KFAFRL CN(C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000095612270 562785389 /nfs/dbraw/zinc/78/53/89/562785389.db2.gz BIDXLQGPKGCOIV-IJZVLDMGSA-N -2 0 744.794 2.599 1 0 KFAFRL CN(C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)[O-])[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000095612271 562785381 /nfs/dbraw/zinc/78/53/81/562785381.db2.gz BIDXLQGPKGCOIV-HLPCWDLKSA-N -2 0 744.794 2.599 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095614588 562786723 /nfs/dbraw/zinc/78/67/23/562786723.db2.gz LPBSXLOIMPVMCG-DTXPUJKBSA-N -3 0 746.770 2.664 1 0 KFAFRL O=C([O-])CSc1ccc(C(=O)N[C@H]2CCC(=O)N3CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc4cc(C(F)(F)F)nn4-c4ccc(Cl)cc4)N3C2=O)cc1 ZINC000095614697 562786846 /nfs/dbraw/zinc/78/68/46/562786846.db2.gz AXOFQUPZWBTLAR-HJOGWXRNSA-N -2 0 809.176 2.956 1 0 KFAFRL CC(C)Cc1ccc(C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1 ZINC000095616133 562787799 /nfs/dbraw/zinc/78/77/99/562787799.db2.gz CUWSQTHCRIQKLF-LJYMOBEQSA-N -2 0 781.948 2.588 1 0 KFAFRL CC(C)Cc1ccc(C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1 ZINC000095616134 562787786 /nfs/dbraw/zinc/78/77/86/562787786.db2.gz CUWSQTHCRIQKLF-AZLXTYJFSA-N -2 0 781.948 2.588 1 0 KFAFRL CC1(C)[C@@H]2CC[C@]3(C)[C@H](C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000095619990 574417105 /nfs/dbraw/zinc/41/71/05/574417105.db2.gz WPDHECQXVOACTR-MOBXHYNLSA-N -3 0 806.943 2.987 1 0 endogenous,in-man KFAFRL CC1(C)[C@@H]2CC[C@]3(C)[C@@H](C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000095619991 574417106 /nfs/dbraw/zinc/41/71/06/574417106.db2.gz WPDHECQXVOACTR-XJCQYFSUSA-N -3 0 806.943 2.987 1 0 endogenous,in-man KFAFRL CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095619992 574417107 /nfs/dbraw/zinc/41/71/07/574417107.db2.gz WPDHECQXVOACTR-MPBJLYRWSA-N -3 0 806.943 2.987 1 0 endogenous,in-man KFAFRL CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]3C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095619993 574417100 /nfs/dbraw/zinc/41/71/00/574417100.db2.gz WPDHECQXVOACTR-ZEQAAZESSA-N -3 0 806.943 2.987 1 0 endogenous,in-man KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(/C=C/C(N)=O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[O-] ZINC000096248496 562792805 /nfs/dbraw/zinc/79/28/05/562792805.db2.gz NQDMYLLPLOXXJG-ITUPNGSESA-N -3 0 757.797 2.559 1 0 KFAFRL O=C([O-])C1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)c(-c5nc(=O)o[n-]5)c4)OC3=O)cc2)CC1 ZINC000096271546 562793833 /nfs/dbraw/zinc/79/38/33/562793833.db2.gz ZVUWJYVUOOSAAR-SFHVURJKSA-N -2 0 541.948 2.740 1 0 KFAFRL CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000096300934 562796283 /nfs/dbraw/zinc/79/62/83/562796283.db2.gz NKJJBGXQFSRHNS-CUPIEXAXSA-N -2 0 822.853 2.584 1 0 KFAFRL C=C(OC(=O)[C@@H]1C(=O)[C@@]2(C)[C@@H](C=C[C@H]3[C@H](O)[C@@H](C)[C@H](OC(C)=O)C[C@@H]32)C[C@H]1/C=C/C=CC=CC(=O)[O-])C(=O)[O-] ZINC000096901916 562797185 /nfs/dbraw/zinc/79/71/85/562797185.db2.gz HWOQCCLLSGFOCF-QDMUNGEASA-N -2 0 542.581 2.843 1 0 KFAFRL O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1 ZINC000096908597 562799396 /nfs/dbraw/zinc/79/93/96/562799396.db2.gz GXLDZVJSUVPAOK-UHFFFAOYSA-N -4 0 770.754 2.822 1 0 KFAFRL CCCNC(=O)c1cn2ncnc(N(C(=O)OCOP(=O)([O-])[O-])c3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000096928071 562802759 /nfs/dbraw/zinc/80/27/59/562802759.db2.gz LCZWGWLTWFMRIC-UHFFFAOYSA-N -2 0 560.504 2.720 1 0 KFAFRL O=C([O-])CNC(=O)c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc2)cc1 ZINC000096928662 562802961 /nfs/dbraw/zinc/80/29/61/562802961.db2.gz QATWKKWEIIKHDL-UHFFFAOYSA-N -2 0 580.648 2.933 1 0 KFAFRL CCCC[C@@H](C)C(=O)[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000100777047 571822967 /nfs/dbraw/zinc/82/29/67/571822967.db2.gz QROJNSDGLZKJGS-YZGDIBINSA-N -2 0 603.750 2.833 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)C(=O)[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000100777048 571822928 /nfs/dbraw/zinc/82/29/28/571822928.db2.gz QROJNSDGLZKJGS-XLQHWKPASA-N -2 0 603.750 2.833 1 0 endogenous,in-man KFAFRL CCCC[C@@H](C)C(=O)[C@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000100777050 571822938 /nfs/dbraw/zinc/82/29/38/571822938.db2.gz QROJNSDGLZKJGS-ZFAUKNBTSA-N -2 0 603.750 2.833 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)C(=O)[C@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000100777051 571822935 /nfs/dbraw/zinc/82/29/35/571822935.db2.gz QROJNSDGLZKJGS-YOYRERCUSA-N -2 0 603.750 2.833 1 0 endogenous,in-man KFAFRL C[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C(=O)[O-])CC[C@@]43C)[C@@]2(C)C[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100777875 574418786 /nfs/dbraw/zinc/41/87/86/574418786.db2.gz UERRXLUEVHKNBY-RFAUJVCYSA-N -2 0 650.806 2.705 1 0 endogenous,in-man KFAFRL C[C@@]1(C(=O)[O-])CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777876 574418796 /nfs/dbraw/zinc/41/87/96/574418796.db2.gz UERRXLUEVHKNBY-VGZSYEMDSA-N -2 0 650.806 2.705 1 0 endogenous,in-man KFAFRL C[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@@]5(C(=O)[O-])CC[C@@]43C)[C@@]2(C)C[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100777877 574418792 /nfs/dbraw/zinc/41/87/92/574418792.db2.gz UERRXLUEVHKNBY-RWQJPUPOSA-N -2 0 650.806 2.705 1 0 endogenous,in-man KFAFRL C[C@@]1(C(=O)[O-])CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777878 574418787 /nfs/dbraw/zinc/41/87/87/574418787.db2.gz UERRXLUEVHKNBY-NBSZATIHSA-N -2 0 650.806 2.705 1 0 endogenous,in-man KFAFRL O=C(CS(=O)(=O)[N-]c1nc2ccc(F)cc2s1)C1=S(=O)([O-])N=C2Sc3cc(F)ccc3N2C1=O ZINC000100800466 562807998 /nfs/dbraw/zinc/80/79/98/562807998.db2.gz SBCUWCKJQIWRTL-NTCAYCPXSA-N -2 0 544.564 2.924 1 0 KFAFRL O=C(CS(=O)(=O)[N-]c1nc2ccccc2s1)C1C(=O)N2c3ccccc3SC2=NS1(=O)=O ZINC000100802741 562808021 /nfs/dbraw/zinc/80/80/21/562808021.db2.gz WLJISTKAUHNPNB-NTCAYCPXSA-N -2 0 508.584 2.646 1 0 KFAFRL O=C(C=C([O-])c1ccccc1Cl)C(=O)N1CCN(C(=O)C(=O)C=C([O-])c2ccccc2Cl)CC1 ZINC000101575625 562811324 /nfs/dbraw/zinc/81/13/24/562811324.db2.gz HRHZCYLRORFMDH-UHFFFAOYSA-N -2 0 503.338 2.648 1 0 KFAFRL O=c1c([O-])c(Nc2cc(Cl)c(Oc3ccc([O-])c(S(=O)(=O)N4CCOCC4)c3)c(Cl)c2)c1=O ZINC000101613886 562811401 /nfs/dbraw/zinc/81/14/01/562811401.db2.gz FXGHZRYPPLLLLX-UHFFFAOYSA-N -2 0 515.327 2.557 1 0 KFAFRL O=C([O-])COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)N2 ZINC000102011184 562812557 /nfs/dbraw/zinc/81/25/57/562812557.db2.gz HSSIVANTQPVYSA-UHFFFAOYSA-N -2 0 501.492 2.671 1 0 KFAFRL CC(C)(Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)N2)C(N)=O ZINC000102033472 562812588 /nfs/dbraw/zinc/81/25/88/562812588.db2.gz KWBZKEXGOKVYSY-UHFFFAOYSA-N -2 0 528.562 2.850 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](CC(=O)[O-])Cc1ccc(-c2cc(-c3ccccc3)cs2)cc1 ZINC000144292655 562836090 /nfs/dbraw/zinc/83/60/90/562836090.db2.gz NIAIEBGBRXKPAO-NHTMILBNSA-N -3 0 623.684 2.900 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 ZINC000144352013 562836143 /nfs/dbraw/zinc/83/61/43/562836143.db2.gz JMWVTDZGNUFBMO-VXKWHMMOSA-N -2 0 551.621 2.809 1 0 KFAFRL NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1 ZINC000144429318 562836233 /nfs/dbraw/zinc/83/62/33/562836233.db2.gz UUDTVMMARAFNKG-VXKWHMMOSA-N -2 0 551.621 2.809 1 0 KFAFRL NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000144444836 562836232 /nfs/dbraw/zinc/83/62/32/562836232.db2.gz XHPUXKQBUUHEIP-DQEYMECFSA-N -2 0 545.592 2.748 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000144484736 562836255 /nfs/dbraw/zinc/83/62/55/562836255.db2.gz BICNEVCTASLTLM-DQEYMECFSA-N -2 0 545.592 2.748 1 0 KFAFRL CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCC[C@@H](O)[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150352749 574049044 /nfs/dbraw/zinc/04/90/44/574049044.db2.gz IYHQYIAATKLXJR-OSYKYQESSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCC[C@@H](O)[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150352751 574049047 /nfs/dbraw/zinc/04/90/47/574049047.db2.gz IYHQYIAATKLXJR-NGEFCUBVSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCC[C@@H](O)[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150352754 574049046 /nfs/dbraw/zinc/04/90/46/574049046.db2.gz IYHQYIAATKLXJR-MCLAAVJZSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCC[C@@H](O)[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150352757 574049045 /nfs/dbraw/zinc/04/90/45/574049045.db2.gz IYHQYIAATKLXJR-FDFYHDKJSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150353157 574049049 /nfs/dbraw/zinc/04/90/49/574049049.db2.gz UVBUBMSSQKOIBE-PHWKZCDYSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150353160 574049048 /nfs/dbraw/zinc/04/90/48/574049048.db2.gz UVBUBMSSQKOIBE-DTDFQHSKSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150353164 574049057 /nfs/dbraw/zinc/04/90/57/574049057.db2.gz UVBUBMSSQKOIBE-XCRAOMBESA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000150353166 574049051 /nfs/dbraw/zinc/04/90/51/574049051.db2.gz UVBUBMSSQKOIBE-JUBQRFSKSA-N -3 0 721.838 2.564 1 0 endogenous,in-man KFAFRL CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000150600599 562847175 /nfs/dbraw/zinc/84/71/75/562847175.db2.gz MQNLHRKTUFXOCO-XDIGFQIYSA-N -2 0 860.793 2.601 1 0 KFAFRL O=C([O-])c1cc2ccc(-n3cc(CCCc4cn(-c5ccc6cc(C(=O)[O-])n(O)c6c5)nn4)nn3)cc2n1O ZINC000169325243 562857588 /nfs/dbraw/zinc/85/75/88/562857588.db2.gz BQASVBUVRAVWLZ-UHFFFAOYSA-N -2 0 528.485 2.804 1 0 KFAFRL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000169329451 562858504 /nfs/dbraw/zinc/85/85/04/562858504.db2.gz YHJNTLKXPXYSDG-XKNDZCEYSA-N -2 0 644.762 2.794 1 0 KFAFRL CC[C@@H](C)[C@H](C(=O)[O-])N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000169329454 562858473 /nfs/dbraw/zinc/85/84/73/562858473.db2.gz YHJNTLKXPXYSDG-JPLYVWRMSA-N -2 0 644.762 2.794 1 0 KFAFRL Nc1nc(N)c2cc(Oc3ccc(CNc4ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc4)cc3)ccc2n1 ZINC000169333751 562859330 /nfs/dbraw/zinc/85/93/30/562859330.db2.gz MVTHJNHILGJXTA-NRFANRHFSA-N -2 0 516.514 2.856 1 0 KFAFRL Nc1nc(N)c2cc(Oc3ccc(CNc4ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc4)cc3)ccc2n1 ZINC000169333752 562859325 /nfs/dbraw/zinc/85/93/25/562859325.db2.gz MVTHJNHILGJXTA-OAQYLSRUSA-N -2 0 516.514 2.856 1 0 KFAFRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000169348047 562862135 /nfs/dbraw/zinc/86/21/35/562862135.db2.gz SGTICZUBRHDIMI-QKDODKLFSA-N -2 0 665.099 2.727 1 0 KFAFRL Cc1[n-]n(C(=O)c2cc3ccccc3oc2=O)c(=O)c1CNc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC000169351901 562863008 /nfs/dbraw/zinc/86/30/08/562863008.db2.gz JIQDKIOMWAESAQ-GOSISDBHSA-N -2 0 521.507 2.985 1 0 KFAFRL Cc1[n-]n(C(=O)c2cc3ccccc3oc2=O)c(=O)c1CNc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC000169351903 562863010 /nfs/dbraw/zinc/86/30/10/562863010.db2.gz JIQDKIOMWAESAQ-SFHVURJKSA-N -2 0 521.507 2.985 1 0 KFAFRL NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 ZINC000169701535 562868061 /nfs/dbraw/zinc/86/80/61/562868061.db2.gz KOVQMCGGWATESY-YADHBBJMSA-N -2 0 585.013 2.779 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 ZINC000169701536 562868051 /nfs/dbraw/zinc/86/80/51/562868051.db2.gz KOVQMCGGWATESY-FCHUYYIVSA-N -2 0 585.013 2.779 1 0 KFAFRL NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 ZINC000169701537 562868037 /nfs/dbraw/zinc/86/80/37/562868037.db2.gz KOVQMCGGWATESY-FGZHOGPDSA-N -2 0 585.013 2.779 1 0 KFAFRL NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000169701568 562868095 /nfs/dbraw/zinc/86/80/95/562868095.db2.gz YWAKWFLUKNCYMP-PMACEKPBSA-N -2 0 552.411 2.778 1 0 KFAFRL O=C([O-])CCNC(=O)c1ncc2c(cc(-c3ccc(N4CCOCC4)cc3)c(=O)n2Cc2ccccc2)c1[O-] ZINC000169711032 562870778 /nfs/dbraw/zinc/87/07/78/562870778.db2.gz OAMCVHBLLOGQKE-UHFFFAOYSA-N -2 0 528.565 2.859 1 0 KFAFRL O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CC(=O)c4cc5ccc([O-])cc5oc4=O)CC3)c(F)cc2c1=O ZINC000200161655 562873299 /nfs/dbraw/zinc/87/32/99/562873299.db2.gz PAOSQTARRCRKPW-UHFFFAOYSA-N -2 0 533.512 2.991 1 0 KFAFRL CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000203742560 562874098 /nfs/dbraw/zinc/87/40/98/562874098.db2.gz XNKWERCTKCULEN-OPZJAVCUSA-N -2 0 736.800 2.702 1 0 KFAFRL CCCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(/C=C\C(N)=O)c1)NC(=O)NC(C)C ZINC000211757981 562877122 /nfs/dbraw/zinc/87/71/22/562877122.db2.gz ALKSZRJAOAFTJF-FYEXEBAFSA-N -2 0 595.653 2.558 1 0 KFAFRL CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(/C=C\C(N)=O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[O-] ZINC000219644521 562878304 /nfs/dbraw/zinc/87/83/04/562878304.db2.gz NQDMYLLPLOXXJG-MMCWUVCNSA-N -3 0 757.797 2.559 1 0 KFAFRL Cc1c(C(=O)c2cc(C(=O)[O-])c(=O)[nH]n2)sc2sc(C(=O)c3cc(C(=O)[O-])c(=O)[nH]n3)c(-c3ccccc3)c12 ZINC000299830101 562885091 /nfs/dbraw/zinc/88/50/91/562885091.db2.gz WHOLZTGVKLZLNV-UHFFFAOYSA-N -2 0 562.541 2.963 1 0 KFAFRL CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)[O-] ZINC000299844566 562889352 /nfs/dbraw/zinc/88/93/52/562889352.db2.gz GMZSRORFVPJKLL-OALUTQOASA-N -2 0 511.537 2.934 1 0 KFAFRL O=C([O-])[C@H]1O[C@@H](OC(=O)CCc2cc(C(=O)c3ccc(OC4CCCC4)cc3[O-])ccc2OCc2ccc3c(=O)[nH]oc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299853362 562891133 /nfs/dbraw/zinc/89/11/33/562891133.db2.gz JBCOXSKOZMNGLC-RSENBJTISA-N -2 0 693.658 2.738 1 0 KFAFRL O=C([O-])CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2[O-])ccc1OCc1ccc2c(c1)onc2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000299854140 562891270 /nfs/dbraw/zinc/89/12/70/562891270.db2.gz UUATXMFJPLJOGD-FYRBEURXSA-N -3 0 693.658 2.953 1 0 KFAFRL CC1(C)[C@@H]2CC[C@]3(C)C(=CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000299869371 562895294 /nfs/dbraw/zinc/89/52/94/562895294.db2.gz UOAVLLDKKZQJMK-UIISCVHFSA-N -3 0 806.943 2.987 1 0 KFAFRL COc1ccc(-c2oc3c(CC=C(C)C)c(OC(C(=O)[O-])C(=O)[O-])cc([O-])c3c(=O)c2OC(C(=O)[O-])C(=O)[O-])cc1 ZINC000473110117 562898532 /nfs/dbraw/zinc/89/85/32/562898532.db2.gz VAHSIHDVCPDEFF-UHFFFAOYSA-N -5 0 572.475 2.516 1 0 KFAFRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(C)c(N(CC(=O)[O-])S(=O)(=O)c3ccc(OC)cc3)cc2C)cc1 ZINC000473113439 562898804 /nfs/dbraw/zinc/89/88/04/562898804.db2.gz HDZJQPCAEUQTGO-UHFFFAOYSA-N -2 0 592.648 2.880 1 0 KFAFRL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(N(CC(=O)[O-])S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000473118982 562899260 /nfs/dbraw/zinc/89/92/60/562899260.db2.gz MBXJNJNZSJKACU-UHFFFAOYSA-N -2 0 532.596 2.863 1 0 KFAFRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(N(CC(=O)[O-])S(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000473122220 562899450 /nfs/dbraw/zinc/89/94/50/562899450.db2.gz RKFJPMSRXCWXBT-UHFFFAOYSA-N -2 0 578.621 2.572 1 0 KFAFRL CN(CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000474607695 562905436 /nfs/dbraw/zinc/90/54/36/562905436.db2.gz JVCIWFRBOXGXAW-UHFFFAOYSA-N -2 0 773.794 2.590 1 0 KFAFRL C[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000653818652 562914055 /nfs/dbraw/zinc/91/40/55/562914055.db2.gz QAYSBRCGJAZELL-HJWLEMQGSA-N -3 0 794.932 2.677 1 0 KFAFRL CC1(C)[C@@H]2CC[C@]3(C)C(=CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000653818665 562914049 /nfs/dbraw/zinc/91/40/49/562914049.db2.gz UOAVLLDKKZQJMK-HZPJZXKLSA-N -3 0 806.943 2.987 1 0 KFAFRL CS(=O)(=O)N(Cc1cccc(CN([C@H](C(=O)[O-])c2ccccc2)S(C)(=O)=O)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000038152157 562067125 /nfs/dbraw/zinc/06/71/25/562067125.db2.gz HJAVDHDKTPPLOM-ZEQRLZLVSA-N -2 0 560.650 2.862 3 0 KFAFRL CS(=O)(=O)N(Cc1cccc(CN([C@@H](C(=O)[O-])c2ccccc2)S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000169295945 562852424 /nfs/dbraw/zinc/85/24/24/562852424.db2.gz HJAVDHDKTPPLOM-DNQXCXABSA-N -2 0 560.650 2.862 3 0 KFAFRL