smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(-n4sc5ccccc5c4=O)cc3)cc2)cc1 ZINC000001654001 561678726 /nfs/dbraw/zinc/67/87/26/561678726.db2.gz VCMJNPXGKDLIBW-UHFFFAOYSA-N -1 1 579.681 4.644 1 0 KJAFMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000001863776 561679929 /nfs/dbraw/zinc/67/99/29/561679929.db2.gz KVPJTUZDUWRZHQ-UHFFFAOYSA-N -1 1 522.608 4.505 1 0 KJAFMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000003213538 561681651 /nfs/dbraw/zinc/68/16/51/561681651.db2.gz VAFXBORWIYDHIN-UHFFFAOYSA-N -1 1 582.000 4.846 1 0 KJAFMM CC[C@@H](CC1CCOCC1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000003815631 561682864 /nfs/dbraw/zinc/68/28/64/561682864.db2.gz QPDCJMXOIJUAPY-SIBVEZHUSA-N -1 1 541.670 4.732 1 0 KJAFMM COC(=O)c1ccc(COc2ccc(-c3cnc4c(-c5nn[n-]n5)cnn4c3C3CCCCC3)cc2)cc1 ZINC000003927995 561686910 /nfs/dbraw/zinc/68/69/10/561686910.db2.gz PGDAUNZZRMIKCY-UHFFFAOYSA-N -1 1 509.570 4.990 1 0 KJAFMM COC(=O)c1ccc(COc2ccc(-c3cnc4c(-c5nnn[n-]5)cnn4c3C3CCCCC3)cc2)cc1 ZINC000003927995 561686908 /nfs/dbraw/zinc/68/69/08/561686908.db2.gz PGDAUNZZRMIKCY-UHFFFAOYSA-N -1 1 509.570 4.990 1 0 KJAFMM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1 ZINC000003936863 561688646 /nfs/dbraw/zinc/68/86/46/561688646.db2.gz JVWVTPZZEHLARL-OFEZKSIWSA-N -1 1 578.703 4.636 1 0 KJAFMM Cc1ccnc(NCCCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])c2ccc(-c3cccc4ccccc43)cc2)c1 ZINC000003965844 561691551 /nfs/dbraw/zinc/69/15/51/561691551.db2.gz LZXHGKPQGMADDV-MHZLTWQESA-N -1 1 524.621 4.851 1 0 KJAFMM Cc1ccnc(NCCCC(=O)NCC(=O)N[C@H](CC(=O)[O-])c2ccc(-c3cccc4ccccc43)cc2)c1 ZINC000013472618 561714206 /nfs/dbraw/zinc/71/42/06/561714206.db2.gz LZXHGKPQGMADDV-HHHXNRCGSA-N -1 1 524.621 4.851 1 0 KJAFMM O=C(NCCc1ccccc1)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)C[P@@](=O)([O-])O ZINC000013558489 561719329 /nfs/dbraw/zinc/71/93/29/561719329.db2.gz OXBBHJALLZTSBF-SXOMAYOGSA-N -1 1 528.630 4.617 1 0 KJAFMM O=c1[n-]c(CN2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)n[nH]1 ZINC000013781992 561729629 /nfs/dbraw/zinc/72/96/29/561729629.db2.gz ORGFGKWLZWRNKO-UHFFFAOYSA-N -1 1 514.470 4.886 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000013800400 561730525 /nfs/dbraw/zinc/73/05/25/561730525.db2.gz UHXUKJPNFOYGKB-OFEZKSIWSA-N -1 1 502.567 4.521 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013800403 561730521 /nfs/dbraw/zinc/73/05/21/561730521.db2.gz PUEQTWGTNQUURY-OFEZKSIWSA-N -1 1 502.567 4.521 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000013800406 561730506 /nfs/dbraw/zinc/73/05/06/561730506.db2.gz KNUFDNSKLOOTIB-OFEZKSIWSA-N -1 1 502.567 4.521 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000013800408 561730510 /nfs/dbraw/zinc/73/05/10/561730510.db2.gz OSRCBCUYZBTKBZ-QIDLSXJSSA-N -1 1 502.567 4.521 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000013800411 561730556 /nfs/dbraw/zinc/73/05/56/561730556.db2.gz ZHWQNJCSTDEVGM-QPVYNBJUSA-N -1 1 502.567 4.521 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013800414 561730518 /nfs/dbraw/zinc/73/05/18/561730518.db2.gz LQXOOIIURWJKRN-QPVYNBJUSA-N -1 1 502.567 4.521 1 0 KJAFMM CCCCc1[nH+]cc(C(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)[O-])cc1 ZINC000013828002 561733192 /nfs/dbraw/zinc/73/31/92/561733192.db2.gz GRBUICWYQXVYKZ-DEOSSOPVSA-N -1 1 514.582 4.894 1 0 KJAFMM Cc1ccc(CCC[C@H](C[P@](=O)([O-])O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 ZINC000014276753 561738930 /nfs/dbraw/zinc/73/89/30/561738930.db2.gz PNOAVGXEWQIVLB-IZLXSDGUSA-N -1 1 542.657 4.926 1 0 KJAFMM CC[C@H](CC1CCOCC1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943336 561741428 /nfs/dbraw/zinc/74/14/28/561741428.db2.gz QPDCJMXOIJUAPY-BCHFMIIMSA-N -1 1 541.670 4.732 1 0 KJAFMM CC[C@@H](CC1CCOCC1)c1cc(O)c([C@@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943337 561741432 /nfs/dbraw/zinc/74/14/32/561741432.db2.gz QPDCJMXOIJUAPY-AFMDSPMNSA-N -1 1 541.670 4.732 1 0 KJAFMM CC[C@H](CC1CCOCC1)c1cc(O)c([C@@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000014943338 561741505 /nfs/dbraw/zinc/74/15/05/561741505.db2.gz QPDCJMXOIJUAPY-NIYFSFCBSA-N -1 1 541.670 4.732 1 0 KJAFMM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Br)c4O)c3O)nc2c1 ZINC000014956798 561747746 /nfs/dbraw/zinc/74/77/46/561747746.db2.gz GRWCDFVTCGNROE-GFCCVEGCSA-N -1 1 573.787 4.651 1 0 KJAFMM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Br)c4O)c3O)nc2c1 ZINC000014956800 561747844 /nfs/dbraw/zinc/74/78/44/561747844.db2.gz GRWCDFVTCGNROE-LBPRGKRZSA-N -1 1 573.787 4.651 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4c(O)cc(Cl)cc4Cl)c3O)[nH]c2c1 ZINC000014956811 561747792 /nfs/dbraw/zinc/74/77/92/561747792.db2.gz JBIXKWJURQJWBD-GFCCVEGCSA-N -1 1 529.336 4.542 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4c(O)cc(Cl)cc4Cl)c3O)[nH]c2c1 ZINC000014956815 561747786 /nfs/dbraw/zinc/74/77/86/561747786.db2.gz JBIXKWJURQJWBD-LBPRGKRZSA-N -1 1 529.336 4.542 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4)c3O)[nH]c2c1 ZINC000014956837 561747804 /nfs/dbraw/zinc/74/78/04/561747804.db2.gz BZZQVFHYBGJMFK-MRXNPFEDSA-N -1 1 513.337 4.836 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4)c3O)[nH]c2c1 ZINC000014956840 561747833 /nfs/dbraw/zinc/74/78/33/561747833.db2.gz BZZQVFHYBGJMFK-INIZCTEOSA-N -1 1 513.337 4.836 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)ccc4Cl)c3O)[nH]c2c1 ZINC000014956981 561747731 /nfs/dbraw/zinc/74/77/31/561747731.db2.gz RKORVZDLVVVXIO-CYBMUJFWSA-N -1 1 513.337 4.836 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)ccc4Cl)c3O)[nH]c2c1 ZINC000014956984 561747682 /nfs/dbraw/zinc/74/76/82/561747682.db2.gz RKORVZDLVVVXIO-ZDUSSCGKSA-N -1 1 513.337 4.836 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(Cl)c4Cl)c3O)[nH]c2c1 ZINC000014956988 561747757 /nfs/dbraw/zinc/74/77/57/561747757.db2.gz YZRRAOBHQPGGCD-CYBMUJFWSA-N -1 1 513.337 4.836 1 0 KJAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(Cl)c4Cl)c3O)[nH]c2c1 ZINC000014956992 561747918 /nfs/dbraw/zinc/74/79/18/561747918.db2.gz YZRRAOBHQPGGCD-ZDUSSCGKSA-N -1 1 513.337 4.836 1 0 KJAFMM CC(C)(C)c1ccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)cc1 ZINC000014957095 561747894 /nfs/dbraw/zinc/74/78/94/561747894.db2.gz ONYYUJXCCOMYFA-LJQANCHMSA-N -1 1 500.555 4.827 1 0 KJAFMM CC(C)(C)c1ccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)cc1 ZINC000014957099 561747938 /nfs/dbraw/zinc/74/79/38/561747938.db2.gz ONYYUJXCCOMYFA-IBGZPJMESA-N -1 1 500.555 4.827 1 0 KJAFMM CC[NH+](CC)C/C=C\c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2ccoc2)c(OC)c1C(=O)[O-] ZINC000014965144 561749531 /nfs/dbraw/zinc/74/95/31/561749531.db2.gz XZRXFLFNOOIQFH-SREVYHEPSA-N -1 1 502.564 4.948 1 0 KJAFMM COc1cc(C(C)(C)C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1[N-]S(C)(=O)=O ZINC000014973280 561751949 /nfs/dbraw/zinc/75/19/49/561751949.db2.gz ZWXVCXZXXCMLFX-QFIPXVFZSA-N -1 1 546.730 4.526 1 0 KJAFMM COc1cc(C(C)(C)C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1[N-]S(C)(=O)=O ZINC000014973284 561751982 /nfs/dbraw/zinc/75/19/82/561751982.db2.gz ZWXVCXZXXCMLFX-JOCHJYFZSA-N -1 1 546.730 4.526 1 0 KJAFMM CSCC[C@H](NC(=O)c1cccc(CN(Cc2cnc[nH]2)Cc2ccc3ccccc3c2)c1)C(=O)[O-] ZINC000026147028 561767343 /nfs/dbraw/zinc/76/73/43/561767343.db2.gz VFMUHVILDDZEAG-SANMLTNESA-N -1 1 502.640 4.701 1 0 KJAFMM CSCC[C@H](NC(=O)c1cccc(CN(Cc2cnc[nH]2)Cc2cccc3ccccc32)c1)C(=O)[O-] ZINC000026156316 561768241 /nfs/dbraw/zinc/76/82/41/561768241.db2.gz MYRBTMFPTMIADC-SANMLTNESA-N -1 1 502.640 4.701 1 0 KJAFMM COc1cc(COC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1[N-]S(C)(=O)=O ZINC000026378242 561782869 /nfs/dbraw/zinc/78/28/69/561782869.db2.gz GYFYRBBIFYDJHM-QFIPXVFZSA-N -1 1 550.743 4.523 1 0 KJAFMM COc1cc(COC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1[N-]S(C)(=O)=O ZINC000026378243 561782831 /nfs/dbraw/zinc/78/28/31/561782831.db2.gz GYFYRBBIFYDJHM-JOCHJYFZSA-N -1 1 550.743 4.523 1 0 KJAFMM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(SC)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026402812 561788722 /nfs/dbraw/zinc/78/87/22/561788722.db2.gz DJSAACYNKDAPFT-YFJJEWJYSA-N -1 1 554.452 4.807 1 0 KJAFMM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(SC)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026402814 561788776 /nfs/dbraw/zinc/78/87/76/561788776.db2.gz DJSAACYNKDAPFT-VKQKAZQBSA-N -1 1 554.452 4.807 1 0 KJAFMM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCN2CCOCC2)CCCC1 ZINC000026503321 561795999 /nfs/dbraw/zinc/79/59/99/561795999.db2.gz QJAXYGNRBHJPOE-QHCPKHFHSA-N -1 1 562.494 4.640 1 0 KJAFMM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CC[P@](=O)([O-])O)c1ccccc1 ZINC000026573577 561798550 /nfs/dbraw/zinc/79/85/50/561798550.db2.gz GFBTWANHBBFKAB-RYKRAMJASA-N -1 1 650.713 4.562 1 0 KJAFMM CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc([O-])c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026575850 561799519 /nfs/dbraw/zinc/79/95/19/561799519.db2.gz XSQQVEXNDGOQFH-DFVMJYGOSA-N -1 1 655.188 4.821 1 0 KJAFMM CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc([O-])c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026577162 561801044 /nfs/dbraw/zinc/80/10/44/561801044.db2.gz XSQQVEXNDGOQFH-NLODXMLJSA-N -1 1 655.188 4.821 1 0 KJAFMM O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026645913 561807502 /nfs/dbraw/zinc/80/75/02/561807502.db2.gz YDKKNLYJPBDWAO-UHFFFAOYSA-N -1 1 557.601 4.775 1 0 KJAFMM COc1ccccc1N1CCN(CCCOc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)CC1 ZINC000026748722 561819235 /nfs/dbraw/zinc/81/92/35/561819235.db2.gz LXAUKCJMLZTEBM-UHFFFAOYSA-N -1 1 547.652 4.782 1 0 KJAFMM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000026839428 561825334 /nfs/dbraw/zinc/82/53/34/561825334.db2.gz RGMHDXJDLDUHAV-QFIPXVFZSA-N -1 1 577.813 4.777 1 0 KJAFMM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O ZINC000026839432 561825316 /nfs/dbraw/zinc/82/53/16/561825316.db2.gz RGMHDXJDLDUHAV-JOCHJYFZSA-N -1 1 577.813 4.777 1 0 KJAFMM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCC(F)(F)F ZINC000026952128 561828957 /nfs/dbraw/zinc/82/89/57/561828957.db2.gz BMNFTWGABWKVKN-VANUSSGQSA-N -1 1 618.646 4.789 1 0 KJAFMM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)Cc1ccccc1 ZINC000026967194 561830046 /nfs/dbraw/zinc/83/00/46/561830046.db2.gz QTVSQTWJVXHECP-DQWNXYKBSA-N -1 1 598.693 4.646 1 0 KJAFMM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000026969036 561830228 /nfs/dbraw/zinc/83/02/28/561830228.db2.gz ZTLLQALGTKLDDK-ZFWHIUCFSA-N -1 1 566.667 4.767 1 0 KJAFMM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026983137 561831666 /nfs/dbraw/zinc/83/16/66/561831666.db2.gz RYSYGNANNWCOSN-QAXCHELISA-N -1 1 614.787 4.729 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000027185912 561842540 /nfs/dbraw/zinc/84/25/40/561842540.db2.gz DASGRKPWAFYAFD-QIJSHVLRSA-N -1 1 530.621 4.779 1 0 KJAFMM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000027185918 561842537 /nfs/dbraw/zinc/84/25/37/561842537.db2.gz DASGRKPWAFYAFD-MCILKKLMSA-N -1 1 530.621 4.779 1 0 KJAFMM CCc1cc(C(=O)[O-])cc(CC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027186510 561842685 /nfs/dbraw/zinc/84/26/85/561842685.db2.gz SRYQEUIBRIIYSG-MLWJCNIFSA-N -1 1 574.630 4.727 1 0 KJAFMM CCc1cccc(C)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027192987 561843863 /nfs/dbraw/zinc/84/38/63/561843863.db2.gz JPBZOZDHBRRLBM-LFOKJVLGSA-N -1 1 516.594 4.775 1 0 KJAFMM CCC[C@@H](NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027195965 561844225 /nfs/dbraw/zinc/84/42/25/561844225.db2.gz NSROWKBSRVFCCQ-WKWAFRKPSA-N -1 1 530.621 4.923 1 0 KJAFMM CCC[C@H](NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027195972 561844274 /nfs/dbraw/zinc/84/42/74/561844274.db2.gz NSROWKBSRVFCCQ-FGMVWKIJSA-N -1 1 530.621 4.923 1 0 KJAFMM CC[C@@H](NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027196450 561844445 /nfs/dbraw/zinc/84/44/45/561844445.db2.gz ZWURMMRAUYXFRY-CGWFDZAZSA-N -1 1 516.594 4.533 1 0 KJAFMM CC[C@H](NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027196454 561844385 /nfs/dbraw/zinc/84/43/85/561844385.db2.gz ZWURMMRAUYXFRY-MVJSRWOSSA-N -1 1 516.594 4.533 1 0 KJAFMM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000027310497 561850611 /nfs/dbraw/zinc/85/06/11/561850611.db2.gz AMGMEJZMJQUMLN-WVLFPKRMSA-N -1 1 540.657 4.703 1 0 KJAFMM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1 ZINC000027311349 561850813 /nfs/dbraw/zinc/85/08/13/561850813.db2.gz HULMQJODVHUYNK-FQNJNTOFSA-N -1 1 528.621 4.833 1 0 KJAFMM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CC[P@](=O)([O-])O)c1ccccc1 ZINC000027548065 561867322 /nfs/dbraw/zinc/86/73/22/561867322.db2.gz GFBTWANHBBFKAB-SSVQIJOPSA-N -1 1 650.713 4.562 1 0 KJAFMM CCc1cc([N-]S(=O)(=O)c2ccc3c(cccc3N(C)C)c2)cc(CC)c1-n1c(=O)c2ccccc2n(C)c1=O ZINC000027981603 561891631 /nfs/dbraw/zinc/89/16/31/561891631.db2.gz TXQLSRMMWOKDRH-UHFFFAOYSA-N -1 1 556.688 4.834 1 0 KJAFMM Cn1c(=O)c(-c2c(Cl)cc(O)cc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)[O-])cc3)nc21 ZINC000028343357 561914498 /nfs/dbraw/zinc/91/44/98/561914498.db2.gz SNPPIVATCUMIAD-UHFFFAOYSA-N -1 1 515.353 4.995 1 0 KJAFMM O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2nn[n-]n2)cc1)c1c(Cl)cncc1Cl ZINC000028468421 561926569 /nfs/dbraw/zinc/92/65/69/561926569.db2.gz ORFQNZZESZKMDH-VXKWHMMOSA-N -1 1 684.393 4.714 1 0 KJAFMM CC(C)NC(=O)CC[C@@H]1CN(Cc2cnc(C(C)C)n2-c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)CCO1 ZINC000028569387 561938010 /nfs/dbraw/zinc/93/80/10/561938010.db2.gz RRYONVMEWUQFAC-OAQYLSRUSA-N -1 1 564.571 4.814 1 0 KJAFMM CC(C)NC(=O)CC[C@H]1CN(Cc2cnc(C(C)C)n2-c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)CCO1 ZINC000028569388 561938032 /nfs/dbraw/zinc/93/80/32/561938032.db2.gz RRYONVMEWUQFAC-NRFANRHFSA-N -1 1 564.571 4.814 1 0 KJAFMM CC(C)c1ncc(COCCCCCc2nn[nH]n2)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569425 561938048 /nfs/dbraw/zinc/93/80/48/561938048.db2.gz XGJQUQRCKVTXHM-UHFFFAOYSA-N -1 1 520.478 4.751 1 0 KJAFMM CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc(C[P@](=O)([O-])O)cc2)c1=O ZINC000028570749 561938989 /nfs/dbraw/zinc/93/89/89/561938989.db2.gz JGGAOZKYSVBVKZ-UHFFFAOYSA-N -1 1 518.554 4.973 1 0 KJAFMM COc1ccc(-c2cc(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)cc1OCC(=O)OC(C)(C)C ZINC000028703046 561947647 /nfs/dbraw/zinc/94/76/47/561947647.db2.gz BPMHNPYANSRRPX-UHFFFAOYSA-N -1 1 720.772 4.644 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12 ZINC000028710584 561951469 /nfs/dbraw/zinc/95/14/69/561951469.db2.gz ZMGCMQVNMYWBEV-UHFFFAOYSA-N -1 1 570.712 4.872 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3cccnc3)c2n1C ZINC000028710597 561951482 /nfs/dbraw/zinc/95/14/82/561951482.db2.gz XCEXIZOIMNVVBK-UHFFFAOYSA-N -1 1 549.653 4.756 1 0 KJAFMM CNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c4OC)n(C)c32)cn1 ZINC000028710600 561951488 /nfs/dbraw/zinc/95/14/88/561951488.db2.gz LULZFMGONJPDIT-UHFFFAOYSA-N -1 1 578.695 4.797 1 0 KJAFMM COCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c4OC)n(C)c32)cn1 ZINC000028710612 561951618 /nfs/dbraw/zinc/95/16/18/561951618.db2.gz KIQLCZLKZYSWLU-UHFFFAOYSA-N -1 1 622.748 4.814 1 0 KJAFMM O=C1[N-]C(=O)C(=Cc2ccc(OC[C@@H]3COc4cc(Br)c(Br)cc4O3)cc2)S1 ZINC000028714334 561955046 /nfs/dbraw/zinc/95/50/46/561955046.db2.gz CNLGJAZELOMXNN-MZBUBPCCSA-N -1 1 527.190 4.754 1 0 KJAFMM O=C1[N-]C(=O)C(=Cc2ccc(OC[C@H]3COc4cc(Br)c(Br)cc4O3)cc2)S1 ZINC000028714335 561954890 /nfs/dbraw/zinc/95/48/90/561954890.db2.gz CNLGJAZELOMXNN-IPUFQURSSA-N -1 1 527.190 4.754 1 0 KJAFMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC[C@@H]1COc2cc(Br)c(Br)cc2O1 ZINC000028714343 561954975 /nfs/dbraw/zinc/95/49/75/561954975.db2.gz PSKQPZQJOVAUJG-ZUWBEUQZSA-N -1 1 557.216 4.763 1 0 KJAFMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC[C@H]1COc2cc(Br)c(Br)cc2O1 ZINC000028714344 561955014 /nfs/dbraw/zinc/95/50/14/561955014.db2.gz PSKQPZQJOVAUJG-IICXCSHRSA-N -1 1 557.216 4.763 1 0 KJAFMM O=C1[N-]C(=S)SC1=Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N1CCN(c2ncccn2)CC1 ZINC000028822838 561967624 /nfs/dbraw/zinc/96/76/24/561967624.db2.gz SWGKMWDADBISOF-SSZFMOIBSA-N -1 1 523.610 4.853 1 0 KJAFMM CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])[C@]2(C/C=C(/C)CCC=C(C)C)c3ccccc3N[C@H]12 ZINC000028887985 561977963 /nfs/dbraw/zinc/97/79/63/561977963.db2.gz JQTZIQSZZFVRJU-NRFCVCMGSA-N -1 1 657.856 4.519 1 0 KJAFMM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[N-]S(C)(=O)=O)cc1 ZINC000028897064 561979214 /nfs/dbraw/zinc/97/92/14/561979214.db2.gz UNQSPEMGNBAUFT-UHFFFAOYSA-N -1 1 572.890 4.551 1 0 KJAFMM O=S(=O)([N-]c1ccc(-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1)c1ccccc1 ZINC000028948671 561980471 /nfs/dbraw/zinc/98/04/71/561980471.db2.gz LLWVSAFWWNKTTA-UHFFFAOYSA-N -1 1 529.603 4.766 1 0 KJAFMM O=S(=O)([N-]c1ccc(-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1)c1ccc(F)cc1 ZINC000028948673 561980421 /nfs/dbraw/zinc/98/04/21/561980421.db2.gz XXBWFHYDCKYCLS-UHFFFAOYSA-N -1 1 547.593 4.905 1 0 KJAFMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4n(n3)S(=O)(=O)c3ccccc3N4c3ccccc3)cc2)cc1 ZINC000028948694 561980444 /nfs/dbraw/zinc/98/04/44/561980444.db2.gz AXETYEZYDAEZBF-UHFFFAOYSA-N -1 1 586.655 4.725 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000028960758 561984143 /nfs/dbraw/zinc/98/41/43/561984143.db2.gz NJLYIWVYOOAOGD-UHFFFAOYSA-N -1 1 500.511 4.773 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000028960813 561984083 /nfs/dbraw/zinc/98/40/83/561984083.db2.gz AYNZBUDTDWVQJH-UHFFFAOYSA-N -1 1 518.501 4.912 1 0 KJAFMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Oc2cc(C3Oc4cc([O-])cc(O)c4C(=O)C3=O)ccc2O)cc1 ZINC000028966341 561985192 /nfs/dbraw/zinc/98/51/92/561985192.db2.gz YYTUAOMKIJQQND-UHFFFAOYSA-N -1 1 521.478 4.849 1 0 KJAFMM CC(C)c1c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037733 561988683 /nfs/dbraw/zinc/98/86/83/561988683.db2.gz XVDTXKNUSWJVBR-CLJLJLNGSA-N -1 1 691.775 4.649 1 0 KJAFMM O=S(=O)([N-]c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)c1ccc2nonc2c1 ZINC000029043092 561991892 /nfs/dbraw/zinc/99/18/92/561991892.db2.gz ALKHGXHSQIBUSM-UHFFFAOYSA-N -1 1 501.553 4.834 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N2C=C(C(=O)N[C@H](C)C3CCCCC3)NN2)c1 ZINC000029045934 561992756 /nfs/dbraw/zinc/99/27/56/561992756.db2.gz OCZODMRORCJBMY-HXUWFJFHSA-N -1 1 612.797 4.681 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N2C=C(C(=O)N[C@@H](C)C3CCCCC3)NN2)c1 ZINC000029046054 561992721 /nfs/dbraw/zinc/99/27/21/561992721.db2.gz OCZODMRORCJBMY-FQEVSTJZSA-N -1 1 612.797 4.681 1 0 KJAFMM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](c2nn[n-]n2)O3)ccc(C(C)=O)c1O ZINC000029485211 562028149 /nfs/dbraw/zinc/02/81/49/562028149.db2.gz DCVYHNJBDHAQJR-XMMPIXPASA-N -1 1 522.602 4.957 1 0 KJAFMM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](c2nn[n-]n2)O3)ccc(C(C)=O)c1O ZINC000029485214 562028103 /nfs/dbraw/zinc/02/81/03/562028103.db2.gz DCVYHNJBDHAQJR-DEOSSOPVSA-N -1 1 522.602 4.957 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802367 562041875 /nfs/dbraw/zinc/04/18/75/562041875.db2.gz PPZSDUZHUBNDCN-UHFFFAOYSA-N -1 1 528.521 4.946 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802369 562041860 /nfs/dbraw/zinc/04/18/60/562041860.db2.gz ASJAUOVNUCTXEI-UHFFFAOYSA-N -1 1 528.521 4.946 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802382 562041881 /nfs/dbraw/zinc/04/18/81/562041881.db2.gz FMEAQXZJDJBJJP-UHFFFAOYSA-N -1 1 528.521 4.946 1 0 KJAFMM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc(-c5cccnc5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802386 562041926 /nfs/dbraw/zinc/04/19/26/562041926.db2.gz YGXCAQDYOSTOFA-UHFFFAOYSA-N -1 1 528.521 4.946 1 0 KJAFMM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802394 562041905 /nfs/dbraw/zinc/04/19/05/562041905.db2.gz AGWKHVSTJXNYET-UHFFFAOYSA-N -1 1 528.521 4.946 1 0 KJAFMM CS(=O)(=O)c1cccc(Oc2ccc(-c3cnc4c(-c5nn[n-]n5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034819981 562043652 /nfs/dbraw/zinc/04/36/52/562043652.db2.gz SKKZLHPHYKPJJI-UHFFFAOYSA-N -1 1 515.599 4.820 1 0 KJAFMM CS(=O)(=O)c1cccc(Oc2ccc(-c3cnc4c(-c5nnn[n-]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034819981 562043650 /nfs/dbraw/zinc/04/36/50/562043650.db2.gz SKKZLHPHYKPJJI-UHFFFAOYSA-N -1 1 515.599 4.820 1 0 KJAFMM COC(=O)c1cccc(COc2ccc(-c3cnc4c(-c5nn[n-]n5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034820057 562043583 /nfs/dbraw/zinc/04/35/83/562043583.db2.gz NMRXZTAPNGKXLX-UHFFFAOYSA-N -1 1 509.570 4.990 1 0 KJAFMM COC(=O)c1cccc(COc2ccc(-c3cnc4c(-c5nnn[n-]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034820057 562043581 /nfs/dbraw/zinc/04/35/81/562043581.db2.gz NMRXZTAPNGKXLX-UHFFFAOYSA-N -1 1 509.570 4.990 1 0 KJAFMM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000034860624 562043794 /nfs/dbraw/zinc/04/37/94/562043794.db2.gz SLMDRLHAAXCTAB-UHFFFAOYSA-N -1 1 500.020 4.627 1 0 KJAFMM Cc1cccc2nc([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c21 ZINC000036088508 562046301 /nfs/dbraw/zinc/04/63/01/562046301.db2.gz YHIQSBMZCOOPDV-IZLXSDGUSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1cccc2nc([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c21 ZINC000036088514 562046335 /nfs/dbraw/zinc/04/63/35/562046335.db2.gz YHIQSBMZCOOPDV-NSOVKSMOSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1cccc2nc([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c21 ZINC000036088517 562046311 /nfs/dbraw/zinc/04/63/11/562046311.db2.gz YHIQSBMZCOOPDV-VSGBNLITSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1cccc2nc([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c21 ZINC000036088520 562046275 /nfs/dbraw/zinc/04/62/75/562046275.db2.gz YHIQSBMZCOOPDV-WUFINQPMSA-N -1 1 600.722 4.691 1 0 KJAFMM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccc(F)cc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088573 562046382 /nfs/dbraw/zinc/04/63/82/562046382.db2.gz PHSOEODFQHNVCE-NSOVKSMOSA-N -1 1 604.685 4.522 1 0 KJAFMM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccc(F)cc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088576 562046453 /nfs/dbraw/zinc/04/64/53/562046453.db2.gz PHSOEODFQHNVCE-IZLXSDGUSA-N -1 1 604.685 4.522 1 0 KJAFMM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccc(F)cc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088580 562046394 /nfs/dbraw/zinc/04/63/94/562046394.db2.gz PHSOEODFQHNVCE-WUFINQPMSA-N -1 1 604.685 4.522 1 0 KJAFMM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccc(F)cc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088583 562046402 /nfs/dbraw/zinc/04/64/02/562046402.db2.gz PHSOEODFQHNVCE-VSGBNLITSA-N -1 1 604.685 4.522 1 0 KJAFMM Cc1ccc2nc([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000036088642 562046443 /nfs/dbraw/zinc/04/64/43/562046443.db2.gz WBFSLPGSZYZBQC-WDYNHAJCSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1ccc2nc([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000036088646 562046375 /nfs/dbraw/zinc/04/63/75/562046375.db2.gz WBFSLPGSZYZBQC-VMPREFPWSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1ccc2nc([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000036088649 562046407 /nfs/dbraw/zinc/04/64/07/562046407.db2.gz WBFSLPGSZYZBQC-FQLXRVMXSA-N -1 1 600.722 4.691 1 0 KJAFMM Cc1ccc2nc([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000036088652 562046398 /nfs/dbraw/zinc/04/63/98/562046398.db2.gz WBFSLPGSZYZBQC-URLMMPGGSA-N -1 1 600.722 4.691 1 0 KJAFMM Cn1c2ccccc2nc1N(Cc1ccc(C(=O)Nc2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000040893261 562082915 /nfs/dbraw/zinc/08/29/15/562082915.db2.gz VXTYNEMWNNCRQD-UHFFFAOYSA-N -1 1 508.464 4.576 1 0 KJAFMM Cn1c2ccccc2nc1N(Cc1ccc(C(=O)Nc2nnn[n-]2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000040893261 562082914 /nfs/dbraw/zinc/08/29/14/562082914.db2.gz VXTYNEMWNNCRQD-UHFFFAOYSA-N -1 1 508.464 4.576 1 0 KJAFMM COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(-c4nn[n-]n4)s3)c2cc1OC ZINC000040936431 562085243 /nfs/dbraw/zinc/08/52/43/562085243.db2.gz UFVFOXCVVIBWKI-UHFFFAOYSA-N -1 1 502.478 4.882 1 0 KJAFMM C[C@@](Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000043071565 562645581 /nfs/dbraw/zinc/64/55/81/562645581.db2.gz VHFPYVLKEYFCHH-HKBQPEDESA-N -1 1 539.636 4.638 1 0 KJAFMM C[C@](Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000043208551 562647131 /nfs/dbraw/zinc/64/71/31/562647131.db2.gz VHFPYVLKEYFCHH-WJOKGBTCSA-N -1 1 539.636 4.638 1 0 KJAFMM CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(=O)[O-])c2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000045258092 562659928 /nfs/dbraw/zinc/65/99/28/562659928.db2.gz LAHDXFOHXROSKF-UHFFFAOYSA-N -1 1 502.976 4.618 1 0 KJAFMM CCNC(=O)Nc1ccc(Oc2cccc(CC(=O)[O-])c2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000045259612 562659994 /nfs/dbraw/zinc/65/99/94/562659994.db2.gz BDWHHIMRPYMOMU-UHFFFAOYSA-N -1 1 503.964 4.702 1 0 KJAFMM CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(=O)[O-])c2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000049694947 562669993 /nfs/dbraw/zinc/66/99/93/562669993.db2.gz MAZMCDJOBRJJLQ-UHFFFAOYSA-N -1 1 523.394 4.963 1 0 KJAFMM CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCCNc1cc(C)ccn1 ZINC000049709069 562671234 /nfs/dbraw/zinc/67/12/34/562671234.db2.gz HUIVUZCGJQLTSS-DEOSSOPVSA-N -1 1 608.639 4.613 1 0 KJAFMM N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049722843 562672585 /nfs/dbraw/zinc/67/25/85/562672585.db2.gz PPIBKGDCJKNBMT-IGMOWHQGSA-N -1 1 694.832 4.962 1 0 KJAFMM Cc1cc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000049722844 562672614 /nfs/dbraw/zinc/67/26/14/562672614.db2.gz XFOZSAVZRIOTDF-LQJZCPKCSA-N -1 1 575.709 4.851 1 0 KJAFMM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc([O-])c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000049745541 562673933 /nfs/dbraw/zinc/67/39/33/562673933.db2.gz UMHUIUBPLNPTMK-ABYGYWHVSA-N -1 1 548.544 4.804 1 0 KJAFMM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc([O-])c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000049745543 562673981 /nfs/dbraw/zinc/67/39/81/562673981.db2.gz UMHUIUBPLNPTMK-SVEHJYQDSA-N -1 1 548.544 4.804 1 0 KJAFMM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc([O-])c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000049745545 562673952 /nfs/dbraw/zinc/67/39/52/562673952.db2.gz UMHUIUBPLNPTMK-VAVYLYDRSA-N -1 1 548.544 4.804 1 0 KJAFMM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc([O-])c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000049745547 562673976 /nfs/dbraw/zinc/67/39/76/562673976.db2.gz UMHUIUBPLNPTMK-IRPSRAIASA-N -1 1 548.544 4.804 1 0 KJAFMM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756584 562675130 /nfs/dbraw/zinc/67/51/30/562675130.db2.gz CVYGBSGGPROVBX-BVFSNSLPSA-N -1 1 626.614 4.935 1 0 KJAFMM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756586 562675124 /nfs/dbraw/zinc/67/51/24/562675124.db2.gz CVYGBSGGPROVBX-ZMQBDGCFSA-N -1 1 626.614 4.935 1 0 KJAFMM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756589 562675121 /nfs/dbraw/zinc/67/51/21/562675121.db2.gz CVYGBSGGPROVBX-QYUQWTINSA-N -1 1 626.614 4.935 1 0 KJAFMM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756591 562675097 /nfs/dbraw/zinc/67/50/97/562675097.db2.gz CVYGBSGGPROVBX-BWRTUTESSA-N -1 1 626.614 4.935 1 0 KJAFMM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756684 562675152 /nfs/dbraw/zinc/67/51/52/562675152.db2.gz RCPCBCZYOSYXSU-WZFJQBBKSA-N -1 1 620.994 4.881 1 0 KJAFMM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756687 562675165 /nfs/dbraw/zinc/67/51/65/562675165.db2.gz RCPCBCZYOSYXSU-GFOCBTRVSA-N -1 1 620.994 4.881 1 0 KJAFMM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756690 562675146 /nfs/dbraw/zinc/67/51/46/562675146.db2.gz RCPCBCZYOSYXSU-HMAILUFVSA-N -1 1 620.994 4.881 1 0 KJAFMM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc([O-])cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756692 562675173 /nfs/dbraw/zinc/67/51/73/562675173.db2.gz RCPCBCZYOSYXSU-GDZAYFCTSA-N -1 1 620.994 4.881 1 0 KJAFMM CN1CCN([C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761933 562676246 /nfs/dbraw/zinc/67/62/46/562676246.db2.gz YYYKZBOSAIRGPP-PMERELPUSA-N -1 1 568.699 4.646 1 0 KJAFMM CN1CCN([C@@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761935 562676237 /nfs/dbraw/zinc/67/62/37/562676237.db2.gz YYYKZBOSAIRGPP-SSEXGKCCSA-N -1 1 568.699 4.646 1 0 KJAFMM O=[P@@]([O-])(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 ZINC000049844805 562688654 /nfs/dbraw/zinc/68/86/54/562688654.db2.gz PYHCZIXNZWZCBY-UHFFFAOYSA-N -1 1 657.904 4.676 1 0 KJAFMM Cc1cccc(CN2CCN(c3cc(Oc4ccc(C[C@@](C)(Oc5ccccc5)C(=O)[O-])cc4)nc(N)n3)CC2)c1 ZINC000056948326 562697879 /nfs/dbraw/zinc/69/78/79/562697879.db2.gz MSAVXZXUNVFVGT-JGCGQSQUSA-N -1 1 553.663 4.947 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccncn2)c2ccccc12 ZINC000058534027 562698655 /nfs/dbraw/zinc/69/86/55/562698655.db2.gz UJXXDZNSOYGBGR-UHFFFAOYSA-N -1 1 547.637 4.872 1 0 KJAFMM CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c3OC)c3ccccc23)n1 ZINC000058555045 562699263 /nfs/dbraw/zinc/69/92/63/562699263.db2.gz KEHWOBPPUFTWHJ-UHFFFAOYSA-N -1 1 576.679 4.914 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Oc2ccnc(N3CCOCC3)n2)c2ccccc12 ZINC000058649937 562701278 /nfs/dbraw/zinc/70/12/78/562701278.db2.gz FQTSKVOXXUUFEJ-UHFFFAOYSA-N -1 1 633.727 4.758 1 0 KJAFMM CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000065731166 562709178 /nfs/dbraw/zinc/70/91/78/562709178.db2.gz GWNOTCOIYUNTQP-URLMMPGGSA-N -1 1 577.722 4.580 1 0 investigational KJAFMM CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000066074082 562709671 /nfs/dbraw/zinc/70/96/71/562709671.db2.gz GWNOTCOIYUNTQP-WDYNHAJCSA-N -1 1 577.722 4.580 1 0 KJAFMM COC(=O)c1cc(Br)ccc1OC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000066078739 562710517 /nfs/dbraw/zinc/71/05/17/562710517.db2.gz VDPGLNMHCNOZNP-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM COC(=O)c1cc(Br)ccc1OC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000066078739 562710516 /nfs/dbraw/zinc/71/05/16/562710516.db2.gz VDPGLNMHCNOZNP-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM COC(=O)c1c(Br)cccc1OC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000066078747 562710540 /nfs/dbraw/zinc/71/05/40/562710540.db2.gz ZHIDKDYOEGKOLR-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM COC(=O)c1c(Br)cccc1OC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000066078747 562710539 /nfs/dbraw/zinc/71/05/39/562710539.db2.gz ZHIDKDYOEGKOLR-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000066079271 562710568 /nfs/dbraw/zinc/71/05/68/562710568.db2.gz GWNOTCOIYUNTQP-VMPREFPWSA-N -1 1 577.722 4.580 1 0 KJAFMM COC(=O)c1ccc(Br)cc1OC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000066102237 562711434 /nfs/dbraw/zinc/71/14/34/562711434.db2.gz GUTYLVZSEBTILY-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM COC(=O)c1ccc(Br)cc1OC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000066102237 562711433 /nfs/dbraw/zinc/71/14/33/562711433.db2.gz GUTYLVZSEBTILY-UHFFFAOYSA-N -1 1 525.307 4.699 1 0 KJAFMM CC(=O)O[C@@H]1C=C[C@H](OCCCCCOc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)O[C@H]1C ZINC000066251649 562714543 /nfs/dbraw/zinc/71/45/43/562714543.db2.gz RRLHMJHRFMHVNM-BQVXCWBNSA-N -1 1 510.539 4.670 1 0 KJAFMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1nc(NCc2ccccc2)[nH+]c(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1 ZINC000072107335 562721260 /nfs/dbraw/zinc/72/12/60/562721260.db2.gz NLRHBFWRWZGLBY-SVBPBHIXSA-N -1 1 590.644 4.662 1 0 KJAFMM CC(=O)Nc1ccc(COc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000072110318 562721797 /nfs/dbraw/zinc/72/17/97/562721797.db2.gz AMHRMJKARDJAOI-CFRMEGHHSA-N -1 1 538.603 4.624 1 0 KJAFMM CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072110344 562721781 /nfs/dbraw/zinc/72/17/81/562721781.db2.gz NQNWJSGCFKHRLI-LOYHVIPDSA-N -1 1 591.749 4.970 1 0 KJAFMM CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000072116892 562723311 /nfs/dbraw/zinc/72/33/11/562723311.db2.gz DZKRAJBFWPPUQU-YTMVLYRLSA-N -1 1 553.659 4.809 1 0 KJAFMM N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118505 562723530 /nfs/dbraw/zinc/72/35/30/562723530.db2.gz MMSXGORDRWSTIU-YTMVLYRLSA-N -1 1 551.643 4.590 1 0 KJAFMM Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NCCCN2CCOCC2)n1 ZINC000072132789 562726830 /nfs/dbraw/zinc/72/68/30/562726830.db2.gz FOELFLIASSRSAU-UHFFFAOYSA-N -1 1 701.697 4.604 1 0 KJAFMM CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@H](N)Cc3ccccc3)[C@H]1Nc1ccccc12 ZINC000072174366 562731090 /nfs/dbraw/zinc/73/10/90/562731090.db2.gz WUCPVLPAEPQDIQ-URECHRMKSA-N -1 1 558.723 4.519 1 0 KJAFMM CO[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1Cl ZINC000072316547 562733122 /nfs/dbraw/zinc/73/31/22/562733122.db2.gz BNUGYYRWBSZKCZ-UHFFFAOYSA-N -1 1 593.468 4.778 1 0 KJAFMM CCCc1ccccc1NC(=O)[C@H](COC(C)(C)C)NC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000073387883 562738523 /nfs/dbraw/zinc/73/85/23/562738523.db2.gz HNEPVJCTGZOQGS-FLVGQNKLSA-N -1 1 509.628 4.515 1 0 KJAFMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)OC)OCO3)OCO2 ZINC000082138008 562739122 /nfs/dbraw/zinc/73/91/22/562739122.db2.gz TTZSJLFQNNEQKJ-NKVSQWTQSA-N -1 1 651.602 4.557 1 0 KJAFMM CCCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000082153981 562740299 /nfs/dbraw/zinc/74/02/99/562740299.db2.gz DYMIBJQHUZZTNM-BUFPPZMGSA-N -1 1 513.619 4.943 1 0 KJAFMM CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1[N-]C(=O)c1sc(-c2ccncc2)nc1C ZINC000082158142 562741049 /nfs/dbraw/zinc/74/10/49/562741049.db2.gz SLSONMHBOHPNMK-UHFFFAOYSA-N -1 1 507.572 4.705 1 0 KJAFMM CCN1CCN(C[C@H]2S[C@@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165117 562741392 /nfs/dbraw/zinc/74/13/92/562741392.db2.gz OMGLRXVFYXBMQO-FJQKOURKSA-N -1 1 735.871 4.808 1 0 KJAFMM CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165122 562741386 /nfs/dbraw/zinc/74/13/86/562741386.db2.gz OMGLRXVFYXBMQO-VBTAUBHQSA-N -1 1 735.871 4.808 1 0 KJAFMM CCN1CCN(C[C@H]2S[C@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165126 562741395 /nfs/dbraw/zinc/74/13/95/562741395.db2.gz OMGLRXVFYXBMQO-QIKUIUABSA-N -1 1 735.871 4.808 1 0 KJAFMM CCN1CCN(C[C@@H]2S[C@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165129 562741426 /nfs/dbraw/zinc/74/14/26/562741426.db2.gz OMGLRXVFYXBMQO-AFPLUKJUSA-N -1 1 735.871 4.808 1 0 KJAFMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)cc2)cc1 ZINC000082182044 562742060 /nfs/dbraw/zinc/74/20/60/562742060.db2.gz BNGNMYJAUQBBGL-NEVPTIFISA-N -1 1 702.738 4.656 1 0 KJAFMM COc1cc([C@@H]2c3cc4c(cc3[C@@H]([N-]S(=O)(=O)c3cc(Cl)sc3Cl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082182193 562742175 /nfs/dbraw/zinc/74/21/75/562742175.db2.gz SPYDOIPXQFPMDL-UIJCFEMGSA-N -1 1 628.508 4.764 1 0 KJAFMM CCc1nc2c(nc(C)cc2C)n1Cc1cc(I)c([O-])c(I)c1 ZINC000084462382 562743135 /nfs/dbraw/zinc/74/31/35/562743135.db2.gz ZJSVUGLUFORBCI-UHFFFAOYSA-N -1 1 533.151 4.574 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4cccc(C(=O)[O-])c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084654642 562747296 /nfs/dbraw/zinc/74/72/96/562747296.db2.gz ARCCMXIHDKFBOJ-UHFFFAOYSA-N -1 1 578.629 4.562 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4csc(C(=O)[O-])c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084668975 562747821 /nfs/dbraw/zinc/74/78/21/562747821.db2.gz ZVCMQZNPBWGCEG-UHFFFAOYSA-N -1 1 584.658 4.623 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1ccncn1 ZINC000084704797 562749856 /nfs/dbraw/zinc/74/98/56/562749856.db2.gz ROQKQYJTPICBKQ-UHFFFAOYSA-N -1 1 548.603 4.553 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1ccncn1 ZINC000084704800 562749851 /nfs/dbraw/zinc/74/98/51/562749851.db2.gz PHOCCMVBRLGOKP-UHFFFAOYSA-N -1 1 562.630 4.862 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4F)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084705796 562749939 /nfs/dbraw/zinc/74/99/39/562749939.db2.gz NTUAWRQDBAVJLK-UHFFFAOYSA-N -1 1 596.619 4.701 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084705800 562749913 /nfs/dbraw/zinc/74/99/13/562749913.db2.gz KAPZNJYOKZDXPF-UHFFFAOYSA-N -1 1 592.656 4.870 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])s4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084706081 562749926 /nfs/dbraw/zinc/74/99/26/562749926.db2.gz KICDUIMXMCSVGI-UHFFFAOYSA-N -1 1 584.658 4.623 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084709211 562750319 /nfs/dbraw/zinc/75/03/19/562750319.db2.gz UDDLGZQDALRQID-UHFFFAOYSA-N -1 1 578.629 4.562 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])c(C)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084710679 562750508 /nfs/dbraw/zinc/75/05/08/562750508.db2.gz DACGAATZKIWONI-UHFFFAOYSA-N -1 1 592.656 4.870 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1cnccn1 ZINC000084710997 562750563 /nfs/dbraw/zinc/75/05/63/562750563.db2.gz KWJTYPOQTXWLHU-UHFFFAOYSA-N -1 1 548.603 4.553 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1cnccn1 ZINC000084710999 562750581 /nfs/dbraw/zinc/75/05/81/562750581.db2.gz YEMQCJMGXORROI-UHFFFAOYSA-N -1 1 562.630 4.862 1 0 KJAFMM COc1cc(N2C(=O)N(c3ccc(-c4ccccc4C(=O)[O-])cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084712349 562750792 /nfs/dbraw/zinc/75/07/92/562750792.db2.gz GSKYNYTYBPKISP-UHFFFAOYSA-N -1 1 578.629 4.562 1 0 KJAFMM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000084714687 562750964 /nfs/dbraw/zinc/75/09/64/562750964.db2.gz UMTKFDQQDMAPSE-FYZNHFMZSA-N -1 1 705.871 4.743 1 0 KJAFMM O=C1[N-]C(=O)C(=Cc2ccc(OCCSc3n[nH]c(-c4ccc(Br)cc4)n3)cc2)S1 ZINC000084714704 562750969 /nfs/dbraw/zinc/75/09/69/562750969.db2.gz XNRGTFGKXHETAH-WJDWOHSUSA-N -1 1 503.403 4.729 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1ncccn1 ZINC000084725906 562751267 /nfs/dbraw/zinc/75/12/67/562751267.db2.gz CHORIEKBRNXNSE-UHFFFAOYSA-N -1 1 548.603 4.553 1 0 KJAFMM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1ncccn1 ZINC000084725908 562751300 /nfs/dbraw/zinc/75/13/00/562751300.db2.gz MTFKYKNIAONGHD-UHFFFAOYSA-N -1 1 562.630 4.862 1 0 KJAFMM COc1nccnc1N1C(=O)N(c2ccc(-c3ccc(C(=O)[O-])cc3C)cc2)C(=O)C12CCN(Cc1ncccc1C)CC2 ZINC000084727329 562751359 /nfs/dbraw/zinc/75/13/59/562751359.db2.gz KXZUNTUEDNVFLH-UHFFFAOYSA-N -1 1 592.656 4.870 1 0 KJAFMM Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[N-]C(=O)C(F)(F)F ZINC000084731572 562751697 /nfs/dbraw/zinc/75/16/97/562751697.db2.gz KMZAOLIVIQFPTH-BQYQJAHWSA-N -1 1 657.653 4.995 1 0 KJAFMM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](O)[C@]3(O)C2)[C@H](O)C1 ZINC000085492491 291862107 /nfs/dbraw/zinc/86/21/07/291862107.db2.gz UABANYJVNKVUMU-HRUYTSHOSA-N -1 1 586.814 4.880 1 0 biogenic,in-vitro KJAFMM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](O)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492495 291862104 /nfs/dbraw/zinc/86/21/04/291862104.db2.gz RVFSATNZRRHYSN-WMFMQNSJSA-N -1 1 584.798 4.656 1 0 biogenic,in-vitro KJAFMM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)C[C@@H](Cc3ccnc(N)c3)[C@H](CCCO)[C@H]2O)[C@H](O)C1 ZINC000085492541 291862101 /nfs/dbraw/zinc/86/21/01/291862101.db2.gz XSQRMUWHHZCBAM-MPIIIKLNSA-N -1 1 618.856 4.633 1 0 biogenic,in-vitro KJAFMM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2O)[C@H](O)C1 ZINC000085492564 291862109 /nfs/dbraw/zinc/86/21/09/291862109.db2.gz DTMWSGKSSWKRRM-WFBJGBOPSA-N -1 1 560.776 4.634 1 0 biogenic,in-vitro KJAFMM COc1ccc(-c2c3c(c(=O)oc4cc([O-])c(OC)cc34)n3c2-c2cc(OC)c(OC)c(O)c2CC3)cc1O ZINC000085995001 562753449 /nfs/dbraw/zinc/75/34/49/562753449.db2.gz JAYUXAMNSNMXCO-UHFFFAOYSA-N -1 1 531.517 4.789 1 0 KJAFMM N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095535825 562753843 /nfs/dbraw/zinc/75/38/43/562753843.db2.gz ZTORNMHQRVKQMA-HJIQQCSTSA-N -1 1 822.300 4.785 1 0 KJAFMM N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095539794 562755300 /nfs/dbraw/zinc/75/53/00/562755300.db2.gz ZTORNMHQRVKQMA-SHUZPENHSA-N -1 1 822.300 4.785 1 0 KJAFMM N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095539880 562755374 /nfs/dbraw/zinc/75/53/74/562755374.db2.gz ZTORNMHQRVKQMA-FHPVIJFVSA-N -1 1 822.300 4.785 1 0 KJAFMM N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095539925 562755387 /nfs/dbraw/zinc/75/53/87/562755387.db2.gz ZTORNMHQRVKQMA-LDNVYYCDSA-N -1 1 822.300 4.785 1 0 KJAFMM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000095540777 562755988 /nfs/dbraw/zinc/75/59/88/562755988.db2.gz IZGCHFAIPPDHJS-NYMACZPPSA-N -1 1 729.470 4.987 1 0 KJAFMM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@](=O)([O-])O)cc1 ZINC000095542226 562756577 /nfs/dbraw/zinc/75/65/77/562756577.db2.gz IWKAGXRLPMMLRK-UHFFFAOYSA-N -1 1 791.927 4.530 1 0 KJAFMM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(C[P@](=O)([O-])O)cc1 ZINC000095549223 562759816 /nfs/dbraw/zinc/75/98/16/562759816.db2.gz OPNFXJNSGPPNQF-UHFFFAOYSA-N -1 1 791.927 4.530 1 0 KJAFMM O=C([O-])CCCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 ZINC000095553361 562760936 /nfs/dbraw/zinc/76/09/36/562760936.db2.gz PDJBLXDNFLXACI-UHFFFAOYSA-N -1 1 583.534 4.780 1 0 KJAFMM CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C(/CC(=O)[O-])C(=O)[O-] ZINC000095557757 562762195 /nfs/dbraw/zinc/76/21/95/562762195.db2.gz CBXCNCWCPJOWIG-FSRGMCFTSA-N -1 1 636.742 4.668 1 0 KJAFMM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095568912 562767012 /nfs/dbraw/zinc/76/70/12/562767012.db2.gz OSBKVUYRQUHAIZ-HFZPWKHCSA-N -1 1 677.849 4.736 1 0 KJAFMM C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095569996 562767795 /nfs/dbraw/zinc/76/77/95/562767795.db2.gz UIBIEJVTTJAUBZ-FUCCEYAGSA-N -1 1 598.121 4.789 1 0 KJAFMM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095570580 562768292 /nfs/dbraw/zinc/76/82/92/562768292.db2.gz OSBKVUYRQUHAIZ-BURCIIJTSA-N -1 1 677.849 4.736 1 0 KJAFMM CN1CC[C@@](NC(=O)c2ccc3c(c2)n(C)c(-c2cnccn2)c3C2CCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000095577430 562770937 /nfs/dbraw/zinc/77/09/37/562770937.db2.gz SXZWAAGEGNJXSI-ATVBPIPYSA-N -1 1 592.700 4.834 1 0 KJAFMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc(C)c(C(=O)N[C@@H](CC[NH3+])C(=O)[O-])c(C)c3)c2)c(C)cc1Cl ZINC000095578068 562771147 /nfs/dbraw/zinc/77/11/47/562771147.db2.gz GYNSPNKJOUPRON-QHCPKHFHSA-N -1 1 544.073 4.573 1 0 KJAFMM CN1CC[C@@](NC(=O)c2ccc3c(c2)n(C)c(-c2ncccn2)c3C2CCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000095579174 562771464 /nfs/dbraw/zinc/77/14/64/562771464.db2.gz YDATUJVUHJRDFQ-JJWGZSDKSA-N -1 1 592.700 4.834 1 0 KJAFMM COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3)C2)cc1OC ZINC000095579540 562771556 /nfs/dbraw/zinc/77/15/56/562771556.db2.gz LATIUONNKAGHTQ-QHCPKHFHSA-N -1 1 511.575 4.650 1 0 KJAFMM COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3)C2)cc1OC ZINC000095579541 562771566 /nfs/dbraw/zinc/77/15/66/562771566.db2.gz LATIUONNKAGHTQ-HSZRJFAPSA-N -1 1 511.575 4.650 1 0 KJAFMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc(C)c(C(=O)N[C@H]4CCNC4=O)c(C)c3)c2)c(C)cc1Cl ZINC000095579838 562771640 /nfs/dbraw/zinc/77/16/40/562771640.db2.gz ZDOWQVSSFYTBSV-QHCPKHFHSA-N -1 1 526.058 4.660 1 0 KJAFMM COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)C2)cc1OC ZINC000095580585 562771865 /nfs/dbraw/zinc/77/18/65/562771865.db2.gz RNTXJZJVGJCRGQ-QHCPKHFHSA-N -1 1 558.454 4.965 1 0 KJAFMM COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)C2)cc1OC ZINC000095580586 562771856 /nfs/dbraw/zinc/77/18/56/562771856.db2.gz RNTXJZJVGJCRGQ-HSZRJFAPSA-N -1 1 558.454 4.965 1 0 KJAFMM CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(I)cc2)ccc1Oc1cncc(Cl)c1 ZINC000095588393 562774653 /nfs/dbraw/zinc/77/46/53/562774653.db2.gz DLEOYLKIYQEQPJ-UHFFFAOYSA-N -1 1 557.797 4.682 1 0 KJAFMM Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095598740 562777474 /nfs/dbraw/zinc/77/74/74/562777474.db2.gz PXOSMEYXQXLIQR-ZAUAPEEVSA-N -1 1 741.329 4.862 1 0 KJAFMM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095600820 562779236 /nfs/dbraw/zinc/77/92/36/562779236.db2.gz WSOKVHLNEBQLTR-QYKOWSPFSA-N -1 1 699.874 4.911 1 0 KJAFMM Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095602028 562779906 /nfs/dbraw/zinc/77/99/06/562779906.db2.gz PXOSMEYXQXLIQR-XYSYJMIKSA-N -1 1 741.329 4.862 1 0 KJAFMM Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095602341 562780080 /nfs/dbraw/zinc/78/00/80/562780080.db2.gz PXOSMEYXQXLIQR-VHKBYXBQSA-N -1 1 741.329 4.862 1 0 KJAFMM COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095605171 562781464 /nfs/dbraw/zinc/78/14/64/562781464.db2.gz ZALHBQYLEWTERP-GHVZQYPWSA-N -1 1 717.907 4.612 1 0 KJAFMM O=C([O-])C1=C(COC(=O)c2cccc(Cc3cc(Cl)cc(Cc4ccccc4O)c3O)c2O)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000095610820 562784645 /nfs/dbraw/zinc/78/46/45/562784645.db2.gz VRPPKBCWJNBRGZ-QTQRRKOQSA-N -1 1 731.179 4.613 1 0 KJAFMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(S(=O)(=O)Nc6cccc(S(N)(=O)=O)c6)cc5c4)cc3c2)c1 ZINC000095615035 562787017 /nfs/dbraw/zinc/78/70/17/562787017.db2.gz BUFOBSGOLYZVOH-UHFFFAOYSA-N -1 1 780.888 4.533 1 0 KJAFMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 ZINC000095781674 562789052 /nfs/dbraw/zinc/78/90/52/562789052.db2.gz JMAGDYLBMGAGJH-MHKBJHHRSA-N -1 1 700.855 4.748 1 0 KJAFMM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 ZINC000095820348 562789262 /nfs/dbraw/zinc/78/92/62/562789262.db2.gz JMAGDYLBMGAGJH-RIVRSQNBSA-N -1 1 700.855 4.748 1 0 KJAFMM C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095892991 562790267 /nfs/dbraw/zinc/79/02/67/562790267.db2.gz UIBIEJVTTJAUBZ-BPRLDMBXSA-N -1 1 598.121 4.789 1 0 KJAFMM O=C(c1ccc([O-])cc1O)[C@@H]1[C@H](c2ccc(O)cc2)O[C@H]2c3c(O)cc(O)cc3O[C@@H](c3ccc(O)cc3)[C@H]21 ZINC000095910179 565176812 /nfs/dbraw/zinc/17/68/12/565176812.db2.gz MNEGKPMTQIIULQ-NKPFXSPFSA-N -1 1 528.513 4.982 1 0 biogenic,in-vitro KJAFMM COc1cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc([O-])c-2c(=O)c1C[C@@H]1C(=O)CCCC1(C)C ZINC000095912143 560057556 /nfs/dbraw/zinc/05/75/56/560057556.db2.gz UXFOPNAVDQIGLR-LJQANCHMSA-N -1 1 522.550 4.963 1 0 biogenic,in-vitro KJAFMM COc1cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c2c([O-])c1C[C@@H]1C(=O)CCCC1(C)C ZINC000095912143 560057555 /nfs/dbraw/zinc/05/75/55/560057555.db2.gz UXFOPNAVDQIGLR-LJQANCHMSA-N -1 1 522.550 4.963 1 0 biogenic,in-vitro KJAFMM COc1cc(O)c2cc3c(c(-c4c5cc(OC)c(C)c(O)c5c([O-])c5c4C[C@](C)(O)CC5=O)c2c1)C[C@](C)(O)CC3=O ZINC000095913963 560056134 /nfs/dbraw/zinc/05/61/34/560056134.db2.gz JTFYBKQNJLFKKD-LQJZCPKCSA-N -1 1 572.610 4.862 1 0 biogenic,in-vitro KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(N4CCOCC4)nc32)c1 ZINC000096175738 562791883 /nfs/dbraw/zinc/79/18/83/562791883.db2.gz BGNVTFXYUJCIHN-UHFFFAOYSA-N -1 1 619.748 4.843 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(N4CC[C@H](N5CCOCC5)C4)nc32)c1 ZINC000096175740 562791908 /nfs/dbraw/zinc/79/19/08/562791908.db2.gz XTJXCYWSPWJKOC-VWLOTQADSA-N -1 1 688.855 4.918 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(N4CC[C@@H](N5CCOCC5)C4)nc32)c1 ZINC000096175741 562791888 /nfs/dbraw/zinc/79/18/88/562791888.db2.gz XTJXCYWSPWJKOC-RUZDIDTESA-N -1 1 688.855 4.918 1 0 KJAFMM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC[P@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270857 562793422 /nfs/dbraw/zinc/79/34/22/562793422.db2.gz YWGSHVRWIRHOKZ-JWQCQUIFSA-N -1 1 509.605 4.611 1 0 KJAFMM COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2[N-]S(C)(=O)=O)c1 ZINC000096907109 562799031 /nfs/dbraw/zinc/79/90/31/562799031.db2.gz OVSPUTNOWQJAED-UHFFFAOYSA-N -1 1 535.416 4.669 1 0 KJAFMM COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(I)cc3)ccc2[N-]S(C)(=O)=O)c1 ZINC000096907112 562799059 /nfs/dbraw/zinc/79/90/59/562799059.db2.gz UZYGIQDDFAEAQN-UHFFFAOYSA-N -1 1 582.416 4.511 1 0 KJAFMM Cc1c2c3c(cc(O)c1=O)C[C@@](O)(c1cc(O)c(=O)c(C)c([C@H]4[C@@H](C(C)C)CC[C@@]4(C)C(=O)CNCCS(=O)(=O)[O-])c1)O[C@H]3[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 ZINC000096914623 562800840 /nfs/dbraw/zinc/80/08/40/562800840.db2.gz ICNAROAALVLDJI-AWDNKCRRSA-N -1 1 783.981 4.627 1 0 KJAFMM Nc1ncnc2c1c(-c1nc3ccc([N-]S(=O)(=O)c4c(F)cccc4F)cc3[nH]1)cn2C1CCCC1 ZINC000096928066 562802766 /nfs/dbraw/zinc/80/27/66/562802766.db2.gz DJCDHWXQLRMRTB-UHFFFAOYSA-N -1 1 509.542 4.751 1 0 KJAFMM CC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000098208382 562805988 /nfs/dbraw/zinc/80/59/88/562805988.db2.gz LWVFVEIAPUMILP-PGRDOPGGSA-N -1 1 528.005 4.786 1 0 in-vitro KJAFMM CCCOc1cccc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455508 562810775 /nfs/dbraw/zinc/81/07/75/562810775.db2.gz VEXYFWGGBMZXFA-ZXPTYKNPSA-N -1 1 566.544 4.713 1 0 KJAFMM CCCOc1cccc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455508 562810774 /nfs/dbraw/zinc/81/07/74/562810774.db2.gz VEXYFWGGBMZXFA-ZXPTYKNPSA-N -1 1 566.544 4.713 1 0 KJAFMM Cn1c2ccc(C(F)(F)F)cc2n(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455514 562810762 /nfs/dbraw/zinc/81/07/62/562810762.db2.gz FVYMLQKMUWTKBV-SJIPCVTESA-N -1 1 576.461 4.943 1 0 KJAFMM Cn1c2ccc(C(F)(F)F)cc2n(Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455514 562810761 /nfs/dbraw/zinc/81/07/61/562810761.db2.gz FVYMLQKMUWTKBV-SJIPCVTESA-N -1 1 576.461 4.943 1 0 KJAFMM Cn1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455519 562810772 /nfs/dbraw/zinc/81/07/72/562810772.db2.gz QDVBRCKINLGLDJ-SJIPCVTESA-N -1 1 592.460 4.823 1 0 KJAFMM Cn1c2ccc(OC(F)(F)F)cc2n(Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455519 562810771 /nfs/dbraw/zinc/81/07/71/562810771.db2.gz QDVBRCKINLGLDJ-SJIPCVTESA-N -1 1 592.460 4.823 1 0 KJAFMM Cn1c2ccc(Cl)cc2n(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455524 562810755 /nfs/dbraw/zinc/81/07/55/562810755.db2.gz LUYUDFYSILUPOR-FAJYDZGRSA-N -1 1 542.909 4.578 1 0 KJAFMM Cn1c2ccc(Cl)cc2n(Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455524 562810754 /nfs/dbraw/zinc/81/07/54/562810754.db2.gz LUYUDFYSILUPOR-FAJYDZGRSA-N -1 1 542.909 4.578 1 0 KJAFMM CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nn[n-]n3)cc1)c(=Nc1ccc(OC(F)(F)F)cc1)n2C ZINC000101455529 562810800 /nfs/dbraw/zinc/81/08/00/562810800.db2.gz YAFVCEBVJOZSCV-ZXPTYKNPSA-N -1 1 566.544 4.713 1 0 KJAFMM CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nnn[n-]3)cc1)c(=Nc1ccc(OC(F)(F)F)cc1)n2C ZINC000101455529 562810799 /nfs/dbraw/zinc/81/07/99/562810799.db2.gz YAFVCEBVJOZSCV-ZXPTYKNPSA-N -1 1 566.544 4.713 1 0 KJAFMM Cn1c2cc(Cl)ccc2n(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455534 562810817 /nfs/dbraw/zinc/81/08/17/562810817.db2.gz ZWHKYVJQYJNPMC-FAJYDZGRSA-N -1 1 542.909 4.578 1 0 KJAFMM Cn1c2cc(Cl)ccc2n(Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455534 562810816 /nfs/dbraw/zinc/81/08/16/562810816.db2.gz ZWHKYVJQYJNPMC-FAJYDZGRSA-N -1 1 542.909 4.578 1 0 KJAFMM CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455547 562810803 /nfs/dbraw/zinc/81/08/03/562810803.db2.gz WOURZOXAQQKDEF-ZXPTYKNPSA-N -1 1 534.546 4.916 1 0 KJAFMM CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455547 562810802 /nfs/dbraw/zinc/81/08/02/562810802.db2.gz WOURZOXAQQKDEF-ZXPTYKNPSA-N -1 1 534.546 4.916 1 0 KJAFMM CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455556 562810812 /nfs/dbraw/zinc/81/08/12/562810812.db2.gz POORGDSMXJTXRW-GDWJVWIDSA-N -1 1 538.509 4.746 1 0 KJAFMM CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455556 562810811 /nfs/dbraw/zinc/81/08/11/562810811.db2.gz POORGDSMXJTXRW-GDWJVWIDSA-N -1 1 538.509 4.746 1 0 KJAFMM COc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455559 562810797 /nfs/dbraw/zinc/81/07/97/562810797.db2.gz QOCSOYLFZWXWJI-GIBOGKFOSA-N -1 1 606.487 4.952 1 0 KJAFMM COc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455559 562810796 /nfs/dbraw/zinc/81/07/96/562810796.db2.gz QOCSOYLFZWXWJI-GIBOGKFOSA-N -1 1 606.487 4.952 1 0 KJAFMM COc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455562 562810820 /nfs/dbraw/zinc/81/08/20/562810820.db2.gz YZRQJZLHSSDVTH-KRUMMXJUSA-N -1 1 572.935 4.587 1 0 KJAFMM COc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455562 562810819 /nfs/dbraw/zinc/81/08/19/562810819.db2.gz YZRQJZLHSSDVTH-KRUMMXJUSA-N -1 1 572.935 4.587 1 0 KJAFMM CCOc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000101455567 562810809 /nfs/dbraw/zinc/81/08/09/562810809.db2.gz ZINLDZLXUJNPJH-GDWJVWIDSA-N -1 1 586.962 4.977 1 0 KJAFMM CCOc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000101455567 562810808 /nfs/dbraw/zinc/81/08/08/562810808.db2.gz ZINLDZLXUJNPJH-GDWJVWIDSA-N -1 1 586.962 4.977 1 0 KJAFMM Nc1nc(=S)[n-]c2c1[C@@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102007333 562812511 /nfs/dbraw/zinc/81/25/11/562812511.db2.gz JUBZMIBGVIQEGR-CYBMUJFWSA-N -1 1 519.033 4.508 1 0 KJAFMM Nc1nc(=S)[n-]c2c1[C@H](c1ccc(Cl)cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000102007336 562812549 /nfs/dbraw/zinc/81/25/49/562812549.db2.gz JUBZMIBGVIQEGR-ZDUSSCGKSA-N -1 1 519.033 4.508 1 0 KJAFMM O=C(Nn1c(=O)cc([O-])n(C2CCCCC2)c1=S)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000102080005 562812703 /nfs/dbraw/zinc/81/27/03/562812703.db2.gz BABMDKRRACZCNH-UHFFFAOYSA-N -1 1 559.692 4.743 1 0 KJAFMM Cc1cc2c(c(Oc3cc(F)cc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O ZINC000103236864 562818908 /nfs/dbraw/zinc/81/89/08/562818908.db2.gz RWXKSLAZBIBOMO-UHFFFAOYSA-N -1 1 503.939 4.780 1 0 KJAFMM Cc1cc2c(c(Oc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3F)n1)C(=O)N(C(C)C)C2=O ZINC000103236903 562818918 /nfs/dbraw/zinc/81/89/18/562818918.db2.gz ZMXPRLZLGHHSKI-UHFFFAOYSA-N -1 1 503.939 4.780 1 0 KJAFMM O=C1c2cc(C3CC3)nc(Oc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)c2C(=O)N1C1CC1 ZINC000103236925 562818901 /nfs/dbraw/zinc/81/89/01/562818901.db2.gz CNSGCFMMOZXTLD-UHFFFAOYSA-N -1 1 509.971 4.964 1 0 KJAFMM Cc1cc2c(c(Sc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O ZINC000103236948 562818896 /nfs/dbraw/zinc/81/88/96/562818896.db2.gz RIZKCWAKTJGVKW-UHFFFAOYSA-N -1 1 502.017 5.000 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2cccc(O)c2)C1 ZINC000103238869 562819213 /nfs/dbraw/zinc/81/92/13/562819213.db2.gz OBFLBZWBONPHJO-LJQANCHMSA-N -1 1 580.572 4.888 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2cccc(O)c2)C1 ZINC000103238873 562819227 /nfs/dbraw/zinc/81/92/27/562819227.db2.gz OBFLBZWBONPHJO-IBGZPJMESA-N -1 1 580.572 4.888 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2ccc(O)cc2)C1 ZINC000103238877 562819221 /nfs/dbraw/zinc/81/92/21/562819221.db2.gz SBSZTSRQMMKWHY-LJQANCHMSA-N -1 1 580.572 4.888 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2ccncc2)C1 ZINC000103238896 562819190 /nfs/dbraw/zinc/81/91/90/562819190.db2.gz PRXHZZRWPPUJSP-LJQANCHMSA-N -1 1 565.561 4.578 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@@H](CC2CCOCC2)C1 ZINC000103238902 562819215 /nfs/dbraw/zinc/81/92/15/562819215.db2.gz ZIIICKIMOSZOAK-IBGZPJMESA-N -1 1 572.593 4.757 1 0 KJAFMM CC(C)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000103238935 562819233 /nfs/dbraw/zinc/81/92/33/562819233.db2.gz SLCPQYPWOFFJNG-MRXNPFEDSA-N -1 1 516.529 4.596 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2ccccc2O)C1 ZINC000103238944 562819237 /nfs/dbraw/zinc/81/92/37/562819237.db2.gz MNJILEVDEUZNTI-LJQANCHMSA-N -1 1 580.572 4.888 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2ccccc2O)C1 ZINC000103238946 562819205 /nfs/dbraw/zinc/81/92/05/562819205.db2.gz MNJILEVDEUZNTI-IBGZPJMESA-N -1 1 580.572 4.888 1 0 KJAFMM Cc1cc(OCc2cn(CC(=O)Nc3ccc([N-]S(C)(=O)=O)c(Oc4ccccc4)c3)nn2)ccc1Cl ZINC000103253818 562820636 /nfs/dbraw/zinc/82/06/36/562820636.db2.gz OHLUHWIBMSKJQU-UHFFFAOYSA-N -1 1 542.017 4.621 1 0 KJAFMM CS(=O)(=O)[N-]c1ccc(NC(=O)Cn2cc(COc3ccc4ccccc4c3)nn2)cc1Oc1ccccc1 ZINC000103253835 562820640 /nfs/dbraw/zinc/82/06/40/562820640.db2.gz MWVOMHBZIVFLDM-UHFFFAOYSA-N -1 1 543.605 4.813 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2ccc(O)cc2)C1 ZINC000112955577 562826033 /nfs/dbraw/zinc/82/60/33/562826033.db2.gz SBSZTSRQMMKWHY-IBGZPJMESA-N -1 1 580.572 4.888 1 0 KJAFMM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1 ZINC000113089397 562826159 /nfs/dbraw/zinc/82/61/59/562826159.db2.gz PBTHVDAVBOIXHK-GDLZYMKVSA-N -1 1 614.703 4.579 1 0 KJAFMM COc1cc([C@@H](C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000113487386 562826562 /nfs/dbraw/zinc/82/65/62/562826562.db2.gz VPVQGKJHURIMIH-MRXNPFEDSA-N -1 1 519.067 4.623 1 0 KJAFMM COc1cc([C@H](C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000113487389 562826536 /nfs/dbraw/zinc/82/65/36/562826536.db2.gz VPVQGKJHURIMIH-INIZCTEOSA-N -1 1 519.067 4.623 1 0 KJAFMM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)[C@@H](O)N(c1cccnc1)C3=O ZINC000113837217 562826873 /nfs/dbraw/zinc/82/68/73/562826873.db2.gz LKQSELSKVLDVHG-BIXPNRAVSA-N -1 1 564.499 4.564 1 0 KJAFMM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(c1cccnc1)[C@@H]3O ZINC000113837217 562826872 /nfs/dbraw/zinc/82/68/72/562826872.db2.gz LKQSELSKVLDVHG-BIXPNRAVSA-N -1 1 564.499 4.564 1 0 KJAFMM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)[C@H](O)N(c1cccnc1)C3=O ZINC000113837225 562826870 /nfs/dbraw/zinc/82/68/70/562826870.db2.gz LKQSELSKVLDVHG-JWNZJDHWSA-N -1 1 564.499 4.564 1 0 KJAFMM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(c1cccnc1)[C@H]3O ZINC000113837225 562826869 /nfs/dbraw/zinc/82/68/69/562826869.db2.gz LKQSELSKVLDVHG-JWNZJDHWSA-N -1 1 564.499 4.564 1 0 KJAFMM NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12 ZINC000114344869 562827968 /nfs/dbraw/zinc/82/79/68/562827968.db2.gz SQWKVRCMSVVAMH-UHFFFAOYSA-N -1 1 535.935 4.814 1 0 KJAFMM COc1ccc2c(CN3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)nn(-c3ccccc3)c2c1 ZINC000114361494 562828156 /nfs/dbraw/zinc/82/81/56/562828156.db2.gz SENXCWVGCSJKKY-UHFFFAOYSA-N -1 1 512.566 4.724 1 0 KJAFMM O=C(CCc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3[nH]c(=O)cc([O-])c3c2)c(Cl)[nH]1 ZINC000115470791 562828928 /nfs/dbraw/zinc/82/89/28/562828928.db2.gz XNPJGZJSZDPUTQ-QHCPKHFHSA-N -1 1 615.481 4.939 1 0 KJAFMM Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4[nH]c(=O)cc([O-])c4c3)c(Cl)[nH]2)c1 ZINC000115472982 562828917 /nfs/dbraw/zinc/82/89/17/562828917.db2.gz BILCFCLQQDSKJC-DEOSSOPVSA-N -1 1 595.063 4.594 1 0 KJAFMM Nc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2F)n1 ZINC000116344415 562829354 /nfs/dbraw/zinc/82/93/54/562829354.db2.gz VTOGIRDDBFRTNZ-UHFFFAOYSA-N -1 1 520.924 4.865 1 0 KJAFMM Nc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000116344585 562829361 /nfs/dbraw/zinc/82/93/61/562829361.db2.gz ZKJBFFVDOXZLHA-UHFFFAOYSA-N -1 1 502.934 4.726 1 0 KJAFMM Nc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000116344683 562829369 /nfs/dbraw/zinc/82/93/69/562829369.db2.gz OOXCXAONCHLBPY-UHFFFAOYSA-N -1 1 520.924 4.865 1 0 KJAFMM CCCS(=O)(=O)[N-]c1cc(C(C)(C)C)cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1OC ZINC000116631479 562829454 /nfs/dbraw/zinc/82/94/54/562829454.db2.gz FNRYKRVTECSVKK-UHFFFAOYSA-N -1 1 611.761 4.830 1 0 KJAFMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000136452771 562831178 /nfs/dbraw/zinc/83/11/78/562831178.db2.gz FYNVXIRZHARHMJ-UHFFFAOYSA-N -1 1 510.594 4.849 1 0 KJAFMM O=C([O-])CCCN1C[C@@H](c2nn[nH]n2)Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000136666931 562831249 /nfs/dbraw/zinc/83/12/49/562831249.db2.gz ODBOCKWNRNDVQH-SANMLTNESA-N -1 1 556.623 4.659 1 0 KJAFMM O=C([O-])CCCN1C[C@H](c2nn[nH]n2)Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000136666969 562831246 /nfs/dbraw/zinc/83/12/46/562831246.db2.gz ODBOCKWNRNDVQH-AREMUKBSSA-N -1 1 556.623 4.659 1 0 KJAFMM C=CC(=O)Nc1cc2c(cc1OCCC[N-]C(=O)C(F)(F)F)ncnc2Nc1ccc(Br)cc1F ZINC000137871219 562831608 /nfs/dbraw/zinc/83/16/08/562831608.db2.gz RVHJFVOVALAVIJ-UHFFFAOYSA-N -1 1 556.314 4.847 1 0 KJAFMM CC(C)(C)n1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cn4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144516835 562836307 /nfs/dbraw/zinc/83/63/07/562836307.db2.gz XJYMXMVYZYORLV-UHFFFAOYSA-N -1 1 543.546 4.807 1 0 KJAFMM COc1ccc2c(CN3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)nn(CC(C)(C)C)c2c1 ZINC000144549717 562836421 /nfs/dbraw/zinc/83/64/21/562836421.db2.gz PAUJYOHIYUDJAV-UHFFFAOYSA-N -1 1 506.603 4.781 1 0 KJAFMM CCCCC1(CCCC)CS(=O)(=O)c2cc(C[P@](=O)([O-])O)c(OC)cc2[C@H](c2ccccc2)N1 ZINC000145969123 562837823 /nfs/dbraw/zinc/83/78/23/562837823.db2.gz PGZJWCFWLZZHIJ-DEOSSOPVSA-N -1 1 509.605 4.958 1 0 KJAFMM CCCCC1(CCCC)CS(=O)(=O)c2cc(C[P@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000145969325 562837870 /nfs/dbraw/zinc/83/78/70/562837870.db2.gz PGZJWCFWLZZHIJ-XMMPIXPASA-N -1 1 509.605 4.958 1 0 KJAFMM O=S(=O)([N-]c1ccncn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)C1 ZINC000146893175 562838906 /nfs/dbraw/zinc/83/89/06/562838906.db2.gz OSFBKXXIDNUQDG-UHFFFAOYSA-N -1 1 513.339 4.640 1 0 KJAFMM COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN3CCC(F)CC3)cc2)c1 ZINC000148125759 562840258 /nfs/dbraw/zinc/84/02/58/562840258.db2.gz DENMRYJXUFYNJE-UHFFFAOYSA-N -1 1 565.671 4.652 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc32)c1 ZINC000148234700 562840663 /nfs/dbraw/zinc/84/06/63/562840663.db2.gz DFDWESWTULTJCB-FQEVSTJZSA-N -1 1 622.727 4.950 1 0 KJAFMM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)C=Cc2cccnc2)NC(=O)c2cccc(Nc3nc4ccc(Br)cc4[nH]3)c2)CCCCC1 ZINC000150522020 562843507 /nfs/dbraw/zinc/84/35/07/562843507.db2.gz QWIJSVXVEPHLFX-IDPUZZCCSA-N -1 1 858.795 4.606 1 0 KJAFMM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)C=Cc2cccnc2)NC(=O)Cc2ccc(Nc3nc4ccc(Br)cc4[nH]3)cc2)CCCCC1 ZINC000150556124 562844740 /nfs/dbraw/zinc/84/47/40/562844740.db2.gz IMKRQIMVWJMELO-SNZCJXDOSA-N -1 1 872.822 4.535 1 0 KJAFMM COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)N3C)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598297 562846832 /nfs/dbraw/zinc/84/68/32/562846832.db2.gz NGOKHMMSOIFOKA-JXOBZBRWSA-N -1 1 659.853 4.693 1 0 KJAFMM COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598421 562846866 /nfs/dbraw/zinc/84/68/66/562846866.db2.gz WNCJWMBZJAIJFT-IVYXEDCPSA-N -1 1 647.842 4.597 1 0 KJAFMM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598424 562846853 /nfs/dbraw/zinc/84/68/53/562846853.db2.gz WNCJWMBZJAIJFT-BWZJBSEYSA-N -1 1 647.842 4.597 1 0 KJAFMM COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598425 562846863 /nfs/dbraw/zinc/84/68/63/562846863.db2.gz WNCJWMBZJAIJFT-UMYWUAKWSA-N -1 1 647.842 4.597 1 0 KJAFMM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598430 562846860 /nfs/dbraw/zinc/84/68/60/562846860.db2.gz WNCJWMBZJAIJFT-ZSLJHSAZSA-N -1 1 647.842 4.597 1 0 KJAFMM O=C(COc1ccc(-c2cc([O-])c3c(=O)cc(OCC(=O)OCCCCCCO[N+](=O)[O-])cc-3o2)cc1)OCCCCCCO[N+](=O)[O-] ZINC000150602576 562847331 /nfs/dbraw/zinc/84/73/31/562847331.db2.gz KINCNTHEJKJJCC-UHFFFAOYSA-N -1 1 676.628 4.547 1 0 KJAFMM CCS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2c1 ZINC000150612624 562848607 /nfs/dbraw/zinc/84/86/07/562848607.db2.gz IUDKPMWARPRWDB-JQIJEIRASA-N -1 1 636.704 4.937 1 0 KJAFMM CCS(=O)(=O)N(C(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccccc1 ZINC000150612631 562848609 /nfs/dbraw/zinc/84/86/09/562848609.db2.gz UQOAEZFEGLLZFN-HTXNQAPBSA-N -1 1 636.704 4.887 1 0 KJAFMM O=C(N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1 ZINC000167669336 562851075 /nfs/dbraw/zinc/85/10/75/562851075.db2.gz UEDFRNFASVBNTC-WMPKNSHKSA-N -1 1 641.700 4.789 1 0 KJAFMM O=S(=O)(c1cccs1)N1CCN(c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2ccncc2)C1 ZINC000169309974 562854603 /nfs/dbraw/zinc/85/46/03/562854603.db2.gz PRXHZZRWPPUJSP-IBGZPJMESA-N -1 1 565.561 4.578 1 0 KJAFMM CC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326870 562857829 /nfs/dbraw/zinc/85/78/29/562857829.db2.gz LWVFVEIAPUMILP-AVRDEDQJSA-N -1 1 528.005 4.786 1 0 KJAFMM CC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329352 562858494 /nfs/dbraw/zinc/85/84/94/562858494.db2.gz JZHGXKCQSQSQTR-LAUBAEHRSA-N -1 1 515.969 4.916 1 0 KJAFMM CC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329353 562858535 /nfs/dbraw/zinc/85/85/35/562858535.db2.gz JZHGXKCQSQSQTR-UWJYYQICSA-N -1 1 515.969 4.916 1 0 KJAFMM [NH3+][C@@H](Cc1cc(Cl)c(Oc2cc(I)c([O-])c(I)c2)c(Cl)c1)C(=O)[O-] ZINC000169334275 562859467 /nfs/dbraw/zinc/85/94/67/562859467.db2.gz UWABJXILJKHLOA-LBPRGKRZSA-N -1 1 593.970 4.655 1 0 KJAFMM [NH3+][C@H](Cc1cc(Cl)c(Oc2cc(I)c([O-])c(I)c2)c(Cl)c1)C(=O)[O-] ZINC000169334277 562859459 /nfs/dbraw/zinc/85/94/59/562859459.db2.gz UWABJXILJKHLOA-GFCCVEGCSA-N -1 1 593.970 4.655 1 0 KJAFMM [NH3+][C@@H](Cc1cc(Br)c(Oc2cc(I)c([O-])c(I)c2)c(Br)c1)C(=O)[O-] ZINC000169337934 562860176 /nfs/dbraw/zinc/86/01/76/562860176.db2.gz MILGYTQJZJXEAP-LBPRGKRZSA-N -1 1 682.872 4.873 1 0 KJAFMM [NH3+][C@H](Cc1cc(Br)c(Oc2cc(I)c([O-])c(I)c2)c(Br)c1)C(=O)[O-] ZINC000169342219 562860970 /nfs/dbraw/zinc/86/09/70/562860970.db2.gz MILGYTQJZJXEAP-GFCCVEGCSA-N -1 1 682.872 4.873 1 0 KJAFMM COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc([O-])c3c2=O)S1)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169347520 562862013 /nfs/dbraw/zinc/86/20/13/562862013.db2.gz GDGCTIAFZLPJII-UYXZNNOOSA-N -1 1 664.529 4.554 1 0 KJAFMM COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(=O)c-3c2[O-])S1)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169347520 562862012 /nfs/dbraw/zinc/86/20/12/562862012.db2.gz GDGCTIAFZLPJII-UYXZNNOOSA-N -1 1 664.529 4.554 1 0 KJAFMM Cc1c([O-])ccc2c(OS(=O)(=O)c3cccs3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349083 562862417 /nfs/dbraw/zinc/86/24/17/562862417.db2.gz IYSSVUPEHUMAIJ-UHFFFAOYSA-N -1 1 541.603 4.992 1 0 KJAFMM Nc1ccc(-c2ccc(Nc3c4cccnc4n([O-])c(=O)c3C(=O)NCc3ccc(F)cc3F)cc2)cc1 ZINC000169351999 562863043 /nfs/dbraw/zinc/86/30/43/562863043.db2.gz LEFMOCIIAUSTEG-UHFFFAOYSA-N -1 1 513.504 4.835 1 0 KJAFMM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)C(F)(F)F)c2)n1 ZINC000169694636 562865486 /nfs/dbraw/zinc/86/54/86/562865486.db2.gz YEYHITPYMZLEJV-LBPRGKRZSA-N -1 1 590.028 4.903 1 0 KJAFMM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695781 562865833 /nfs/dbraw/zinc/86/58/33/562865833.db2.gz KXGCWBISJYTUDF-SFTDATJTSA-N -1 1 501.461 4.832 1 0 KJAFMM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695782 562865816 /nfs/dbraw/zinc/86/58/16/562865816.db2.gz KXGCWBISJYTUDF-RTWAWAEBSA-N -1 1 501.461 4.832 1 0 KJAFMM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695783 562865797 /nfs/dbraw/zinc/86/57/97/562865797.db2.gz KXGCWBISJYTUDF-LEWJYISDSA-N -1 1 501.461 4.832 1 0 KJAFMM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000169695784 562865824 /nfs/dbraw/zinc/86/58/24/562865824.db2.gz KXGCWBISJYTUDF-NHCUHLMSSA-N -1 1 501.461 4.832 1 0 KJAFMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698230 562867062 /nfs/dbraw/zinc/86/70/62/562867062.db2.gz OLRKAUAWEWUQBE-UHFFFAOYSA-N -1 1 537.045 4.615 1 0 KJAFMM O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c(Cl)ccc([O-])c3F)s2)s1 ZINC000169698236 562867029 /nfs/dbraw/zinc/86/70/29/562867029.db2.gz UWEFUUCAUOYIIV-UHFFFAOYSA-N -1 1 561.064 4.816 1 0 KJAFMM CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000169703428 562868780 /nfs/dbraw/zinc/86/87/80/562868780.db2.gz JKSFRPPYFJWPAZ-UHFFFAOYSA-N -1 1 565.758 4.710 1 0 KJAFMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1ccco1 ZINC000169703437 562868790 /nfs/dbraw/zinc/86/87/90/562868790.db2.gz OSYXBVITALOGHM-UHFFFAOYSA-N -1 1 618.778 4.739 1 0 KJAFMM CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)[N-]c3cccc(-c4ccco4)c3)c2)CC1 ZINC000169703439 562868747 /nfs/dbraw/zinc/86/87/47/562868747.db2.gz RWRFZPLMFBWWHN-UHFFFAOYSA-N -1 1 575.709 4.673 1 0 KJAFMM Cc1cc(Nc2cc(-c3cn[nH]n3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704390 562868905 /nfs/dbraw/zinc/86/89/05/562868905.db2.gz CFRUPZABOQMKCQ-HHHXNRCGSA-N -1 1 525.594 4.708 1 0 KJAFMM O=C([O-])CCCCNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711046 562870810 /nfs/dbraw/zinc/87/08/10/562870810.db2.gz URAVBQDWKQZINI-UHFFFAOYSA-N -1 1 548.599 4.864 1 0 KJAFMM O=C([O-])CCNC(=O)c1nc(-c2cncc(Cl)c2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711055 562870798 /nfs/dbraw/zinc/87/07/98/562870798.db2.gz FCQBRRCFQGAMCB-UHFFFAOYSA-N -1 1 554.990 4.737 1 0 KJAFMM C[C@@H](c1ccccc1)n1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)[O-])nc(-c3cccnc3)c21 ZINC000169711058 562870794 /nfs/dbraw/zinc/87/07/94/562870794.db2.gz PHMPFPROCBWEAR-IBGZPJMESA-N -1 1 534.572 4.645 1 0 KJAFMM O=C([O-])CCNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711067 562870783 /nfs/dbraw/zinc/87/07/83/562870783.db2.gz KCNDKNDVUAWCKB-UHFFFAOYSA-N -1 1 526.593 4.616 1 0 KJAFMM CC(C)(CNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O)C(=O)[O-] ZINC000169711075 562870828 /nfs/dbraw/zinc/87/08/28/562870828.db2.gz GMEAHHBRTVOKCW-UHFFFAOYSA-N -1 1 548.599 4.720 1 0 KJAFMM O=C([O-])CCNC(=O)c1nc(-c2ccncc2)c2c(cc(-c3ccccc3)c(=O)n2CC2CCCCC2)c1O ZINC000169711081 562870861 /nfs/dbraw/zinc/87/08/61/562870861.db2.gz RFVNQAMOYXFKFN-UHFFFAOYSA-N -1 1 526.593 4.616 1 0 KJAFMM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)N3C)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000197217876 562872564 /nfs/dbraw/zinc/87/25/64/562872564.db2.gz NGOKHMMSOIFOKA-BYMSRTLASA-N -1 1 659.853 4.693 1 0 KJAFMM CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000199838236 562873128 /nfs/dbraw/zinc/87/31/28/562873128.db2.gz FKNWCGZJHQMGMN-RUZDIDTESA-N -1 1 532.622 4.778 1 0 KJAFMM CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000199838258 562873100 /nfs/dbraw/zinc/87/31/00/562873100.db2.gz FKNWCGZJHQMGMN-VWLOTQADSA-N -1 1 532.622 4.778 1 0 KJAFMM COc1cc2c3c(-c4ccc(O)c(OC)c4)c4n(c3c(=O)oc2cc1[O-])CCc1cc(O)c(OC)cc1-4 ZINC000200924619 562873474 /nfs/dbraw/zinc/87/34/74/562873474.db2.gz VYCKFKQTDDCBSA-UHFFFAOYSA-N -1 1 501.491 4.780 1 0 KJAFMM O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nn[n-]n1)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202323990 562873726 /nfs/dbraw/zinc/87/37/26/562873726.db2.gz VGSRXYXKYYFUPT-VWLOTQADSA-N -1 1 551.010 4.856 1 0 KJAFMM O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)c1nn[n-]n1)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202324018 562873723 /nfs/dbraw/zinc/87/37/23/562873723.db2.gz VGSRXYXKYYFUPT-RUZDIDTESA-N -1 1 551.010 4.856 1 0 KJAFMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221268401 562878932 /nfs/dbraw/zinc/87/89/32/562878932.db2.gz VPZVEXLWEREOLV-UHFFFAOYSA-N -1 1 534.556 4.596 1 0 KJAFMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221269480 562878946 /nfs/dbraw/zinc/87/89/46/562878946.db2.gz KHENRZDQRXWQPP-UHFFFAOYSA-N -1 1 518.557 4.716 1 0 KJAFMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c3cccnc32)c(F)c1)N1CCC(O)(c2cccc(F)c2F)CC1 ZINC000221271904 562878926 /nfs/dbraw/zinc/87/89/26/562878926.db2.gz RWULNDOPTPQVAI-UHFFFAOYSA-N -1 1 559.541 4.716 1 0 KJAFMM COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)N3C)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508821 562879861 /nfs/dbraw/zinc/87/98/61/562879861.db2.gz NGOKHMMSOIFOKA-ZCCVPAQVSA-N -1 1 659.853 4.693 1 0 KJAFMM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)N3C)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508879 562879884 /nfs/dbraw/zinc/87/98/84/562879884.db2.gz NGOKHMMSOIFOKA-QDFUAKMASA-N -1 1 659.853 4.693 1 0 KJAFMM COc1ccc2nc(N(Cc3ccc(C(=O)Nc4nn[n-]n4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 ZINC000253665868 562882697 /nfs/dbraw/zinc/88/26/97/562882697.db2.gz ITADOTUWBBIWST-MEMLXQNLSA-N -1 1 516.650 4.959 1 0 KJAFMM COc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[n-]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 ZINC000253665868 562882696 /nfs/dbraw/zinc/88/26/96/562882696.db2.gz ITADOTUWBBIWST-MEMLXQNLSA-N -1 1 516.650 4.959 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823518 562882890 /nfs/dbraw/zinc/88/28/90/562882890.db2.gz PWGPXNKZQLZHCF-HDYBWSSPSA-N -1 1 796.911 4.715 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299823521 562882909 /nfs/dbraw/zinc/88/29/09/562882909.db2.gz PWGPXNKZQLZHCF-NWUKJYLMSA-N -1 1 796.911 4.715 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823522 562882880 /nfs/dbraw/zinc/88/28/80/562882880.db2.gz PWGPXNKZQLZHCF-UIOWSVJLSA-N -1 1 796.911 4.715 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(=O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299823633 562882985 /nfs/dbraw/zinc/88/29/85/562882985.db2.gz ZVXPNGMOADYJDV-CFQHPEIZSA-N -1 1 794.895 4.923 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(=O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823639 562882957 /nfs/dbraw/zinc/88/29/57/562882957.db2.gz ZVXPNGMOADYJDV-HDYBWSSPSA-N -1 1 794.895 4.923 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(=O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299823644 562882961 /nfs/dbraw/zinc/88/29/61/562882961.db2.gz ZVXPNGMOADYJDV-NWUKJYLMSA-N -1 1 794.895 4.923 1 0 KJAFMM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(N5CCC(=O)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823649 562882994 /nfs/dbraw/zinc/88/29/94/562882994.db2.gz ZVXPNGMOADYJDV-UIOWSVJLSA-N -1 1 794.895 4.923 1 0 KJAFMM CC(C)COc1nc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2[nH]nc(N)c21 ZINC000299838015 562887713 /nfs/dbraw/zinc/88/77/13/562887713.db2.gz PYOKJJPUDBVGDX-UHFFFAOYSA-N -1 1 507.403 4.745 1 0 KJAFMM CC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(Cl)c(N4CC(C(=O)NC(C)(C)C)C4)cc3c(=O)[n-]2)c1 ZINC000299838283 562887770 /nfs/dbraw/zinc/88/77/70/562887770.db2.gz UJTLQEXWSTVVFY-UHFFFAOYSA-N -1 1 544.483 4.932 1 0 KJAFMM C[C@@H](C(=O)[O-])N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000299841151 562888729 /nfs/dbraw/zinc/88/87/29/562888729.db2.gz YEXDVZLSDDXMCZ-HHJKRLRDSA-N -1 1 648.660 4.983 1 0 KJAFMM CCC(=O)N1CCC[C@@H](CN2c3ccccc3N(Cc3ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857843 562892320 /nfs/dbraw/zinc/89/23/20/562892320.db2.gz DDDHADFRCAXJBQ-GOSISDBHSA-N -1 1 579.563 4.719 1 0 KJAFMM CCC(=O)N1CCC[C@H](CN2c3ccccc3N(Cc3ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857844 562892308 /nfs/dbraw/zinc/89/23/08/562892308.db2.gz DDDHADFRCAXJBQ-SFHVURJKSA-N -1 1 579.563 4.719 1 0 KJAFMM O=C([O-])CCNCc1cn(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)nn1 ZINC000299868908 562895207 /nfs/dbraw/zinc/89/52/07/562895207.db2.gz SQRUDVQTSIEPIT-UHFFFAOYSA-N -1 1 516.442 4.686 1 0 KJAFMM CC(C)C(=O)N1CCC(CN2c3ccccc3N(Cc3ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)CC1 ZINC000299871621 562895768 /nfs/dbraw/zinc/89/57/68/562895768.db2.gz YXHRPVVHBMJBGR-UHFFFAOYSA-N -1 1 593.590 4.965 1 0 KJAFMM O=C(N=S([N-]S(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000377842910 562896323 /nfs/dbraw/zinc/89/63/23/562896323.db2.gz KQAAJAGMFAUSBK-UHFFFAOYSA-N -1 1 504.642 4.612 1 0 KJAFMM O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@@]1([O-])C(F)(F)F ZINC000473090069 562897476 /nfs/dbraw/zinc/89/74/76/562897476.db2.gz URVIVQRVRQJWEN-GOSISDBHSA-N -1 1 521.127 4.597 1 0 KJAFMM O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@]1([O-])C(F)(F)F ZINC000473090070 562897478 /nfs/dbraw/zinc/89/74/78/562897478.db2.gz URVIVQRVRQJWEN-SFHVURJKSA-N -1 1 521.127 4.597 1 0 KJAFMM CCOC(=O)COc1cc([O-])c2c(=O)c(OCC(=O)OCC)c(-c3ccc(OC)cc3)oc2c1CC=C(C)C ZINC000473095111 562897847 /nfs/dbraw/zinc/89/78/47/562897847.db2.gz XDMQAZDIBZRQSZ-UHFFFAOYSA-N -1 1 540.565 4.567 1 0 KJAFMM COc1ccccc1C(=O)NCCNc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 ZINC000473117501 562899215 /nfs/dbraw/zinc/89/92/15/562899215.db2.gz ZMKPRTFJKDZBQF-UHFFFAOYSA-N -1 1 511.644 4.778 1 0 KJAFMM COc1cc([C@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@@H](O)C(C)(C)OC)c([O-])cc3O2)cc(OC)c1O ZINC000473132705 562900240 /nfs/dbraw/zinc/90/02/40/562900240.db2.gz UTJACGGIQKDKBW-AJXBRLEZSA-N -1 1 516.587 4.582 1 0 KJAFMM COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@@H](O)C(C)(C)OC)c([O-])cc3O2)cc(OC)c1O ZINC000473132706 562900247 /nfs/dbraw/zinc/90/02/47/562900247.db2.gz UTJACGGIQKDKBW-SJEOSKFXSA-N -1 1 516.587 4.582 1 0 KJAFMM COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@H](O)C(C)(C)OC)c([O-])cc3O2)cc(OC)c1O ZINC000473132707 562900235 /nfs/dbraw/zinc/90/02/35/562900235.db2.gz UTJACGGIQKDKBW-SLAMVJISSA-N -1 1 516.587 4.582 1 0 KJAFMM COc1cc([C@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@H](O)C(C)(C)OC)c([O-])cc3O2)cc(OC)c1O ZINC000473132708 562900249 /nfs/dbraw/zinc/90/02/49/562900249.db2.gz UTJACGGIQKDKBW-VQYFMSLJSA-N -1 1 516.587 4.582 1 0 KJAFMM CN(C)Cc1ccc(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)nc32)cc1 ZINC000473213493 562903886 /nfs/dbraw/zinc/90/38/86/562903886.db2.gz PNYOHCRQQXZIPN-UHFFFAOYSA-N -1 1 517.438 4.940 1 0 KJAFMM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000473213512 562903930 /nfs/dbraw/zinc/90/39/30/562903930.db2.gz WBYWUXYDQYHROD-UHFFFAOYSA-N -1 1 520.008 4.910 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1[O-] ZINC000653662277 562905848 /nfs/dbraw/zinc/90/58/48/562905848.db2.gz LYYXPHCAXQDCNN-IBGZPJMESA-N -1 1 521.639 4.624 1 0 KJAFMM Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1[O-] ZINC000653662289 562905888 /nfs/dbraw/zinc/90/58/88/562905888.db2.gz VPMACFXFRUVPQK-SFHVURJKSA-N -1 1 549.674 4.990 1 0 KJAFMM CC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2[O-])c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 ZINC000653671416 562906205 /nfs/dbraw/zinc/90/62/05/562906205.db2.gz BZFFCPGMBVLZSK-UHFFFAOYSA-N -1 1 516.985 5.000 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1[O-] ZINC000653677674 562906268 /nfs/dbraw/zinc/90/62/68/562906268.db2.gz SJEXWLLUJGZGAK-SFHVURJKSA-N -1 1 557.619 4.870 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1[O-] ZINC000653678780 562906280 /nfs/dbraw/zinc/90/62/80/562906280.db2.gz MHKJWWUZGWZKLR-AREMUKBSSA-N -1 1 592.624 4.837 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1[O-] ZINC000653678781 562906288 /nfs/dbraw/zinc/90/62/88/562906288.db2.gz MHKJWWUZGWZKLR-SANMLTNESA-N -1 1 592.624 4.837 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653684755 562906429 /nfs/dbraw/zinc/90/64/29/562906429.db2.gz FFQYFHZBUVXVOE-UHFFFAOYSA-N -1 1 565.598 4.955 1 0 KJAFMM Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1[O-] ZINC000653686239 562906502 /nfs/dbraw/zinc/90/65/02/562906502.db2.gz JQCGLHYCQOFWMG-FQEVSTJZSA-N -1 1 543.645 4.928 1 0 KJAFMM CCOc1cc([O-])c2c(=O)c(OCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc2c1 ZINC000653701023 562907456 /nfs/dbraw/zinc/90/74/56/562907456.db2.gz FBYGMNXSZOUEIZ-IGKIAQTJSA-N -1 1 536.533 4.551 1 0 KJAFMM CCOc1cc([O-])c2c(=O)c(OCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc2c1 ZINC000653701024 562907428 /nfs/dbraw/zinc/90/74/28/562907428.db2.gz FBYGMNXSZOUEIZ-RPLLCQBOSA-N -1 1 536.533 4.551 1 0 KJAFMM CCOc1cc([O-])c2c(=O)c(OCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc2c1 ZINC000653701025 562907461 /nfs/dbraw/zinc/90/74/61/562907461.db2.gz FBYGMNXSZOUEIZ-SHQCIBLASA-N -1 1 536.533 4.551 1 0 KJAFMM CCOc1cc([O-])c2c(=O)c(OCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc2c1 ZINC000653701026 562907449 /nfs/dbraw/zinc/90/74/49/562907449.db2.gz FBYGMNXSZOUEIZ-SQHAQQRYSA-N -1 1 536.533 4.551 1 0 KJAFMM CCCCOc1cc([O-])c2c(=O)c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc2c1 ZINC000653705904 562907722 /nfs/dbraw/zinc/90/77/22/562907722.db2.gz BHKQRYUOFKNURE-CUBQBAPOSA-N -1 1 536.533 4.638 1 0 KJAFMM CCCCOc1cc([O-])c2c(=O)c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc2c1 ZINC000653705906 562907702 /nfs/dbraw/zinc/90/77/02/562907702.db2.gz BHKQRYUOFKNURE-RBJSKKJNSA-N -1 1 536.533 4.638 1 0 KJAFMM CCCCOc1cc([O-])c2c(=O)c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc2c1 ZINC000653705907 562907737 /nfs/dbraw/zinc/90/77/37/562907737.db2.gz BHKQRYUOFKNURE-UFHPHHKVSA-N -1 1 536.533 4.638 1 0 KJAFMM CCCCOc1cc([O-])c2c(=O)c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc2c1 ZINC000653705910 562907697 /nfs/dbraw/zinc/90/76/97/562907697.db2.gz BHKQRYUOFKNURE-YWEHKCAJSA-N -1 1 536.533 4.638 1 0 KJAFMM CCCNC(=O)c1cc2c(nc(CCC)n2Cc2ccc(-c3ccccc3C(=O)Nc3nn[n-]n3)cc2)c(C)c1 ZINC000653709724 562908092 /nfs/dbraw/zinc/90/80/92/562908092.db2.gz UNLUQZXLCPIKOX-UHFFFAOYSA-N -1 1 536.640 4.918 1 0 KJAFMM CCCNC(=O)c1cc2c(nc(CCC)n2Cc2ccc(-c3ccccc3C(=O)Nc3nnn[n-]3)cc2)c(C)c1 ZINC000653709724 562908091 /nfs/dbraw/zinc/90/80/91/562908091.db2.gz UNLUQZXLCPIKOX-UHFFFAOYSA-N -1 1 536.640 4.918 1 0 KJAFMM COC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])c(-c3ccc(O)cc3)coc-2c1 ZINC000653713251 562908283 /nfs/dbraw/zinc/90/82/83/562908283.db2.gz NLCXLEBGGSOSEH-VQEKVZNXSA-N -1 1 511.423 4.588 1 0 KJAFMM COC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000653713251 562908282 /nfs/dbraw/zinc/90/82/82/562908282.db2.gz NLCXLEBGGSOSEH-VQEKVZNXSA-N -1 1 511.423 4.588 1 0 KJAFMM COC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])c(-c3ccc(O)cc3)coc-2c1 ZINC000653713252 562908304 /nfs/dbraw/zinc/90/83/04/562908304.db2.gz NLCXLEBGGSOSEH-WAJZLAGVSA-N -1 1 511.423 4.588 1 0 KJAFMM COC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000653713252 562908303 /nfs/dbraw/zinc/90/83/03/562908303.db2.gz NLCXLEBGGSOSEH-WAJZLAGVSA-N -1 1 511.423 4.588 1 0 KJAFMM COC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccc(O)cc3)oc-2c1 ZINC000653713288 562908300 /nfs/dbraw/zinc/90/83/00/562908300.db2.gz YIFUKLMTKLCDGC-VQEKVZNXSA-N -1 1 511.423 4.588 1 0 KJAFMM COC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccc(O)cc3)oc-2c1 ZINC000653713289 562908292 /nfs/dbraw/zinc/90/82/92/562908292.db2.gz YIFUKLMTKLCDGC-WAJZLAGVSA-N -1 1 511.423 4.588 1 0 KJAFMM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCC[NH+]2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000653746662 562910453 /nfs/dbraw/zinc/91/04/53/562910453.db2.gz JTCJLHTWGXKTKZ-UHFFFAOYSA-N -1 1 625.744 4.514 1 0 KJAFMM COCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2[O-])c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 ZINC000653750415 562910640 /nfs/dbraw/zinc/91/06/40/562910640.db2.gz IOPNLVZHGOLZFG-UHFFFAOYSA-N -1 1 547.011 4.626 1 0 KJAFMM COc1cc2ncnc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4[O-])cc3)c2cc1OC ZINC000653758334 562911140 /nfs/dbraw/zinc/91/11/40/562911140.db2.gz IRDKTGPPLHYYAY-UHFFFAOYSA-N -1 1 508.534 4.967 1 0 KJAFMM COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3[O-])cc2)c(C)c1 ZINC000653758364 562911150 /nfs/dbraw/zinc/91/11/50/562911150.db2.gz DWKVDZOVEXQKRI-UHFFFAOYSA-N -1 1 561.660 4.582 1 0 KJAFMM Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653760122 562911228 /nfs/dbraw/zinc/91/12/28/562911228.db2.gz QVUCYUOEPUWULQ-UHFFFAOYSA-N -1 1 558.660 4.885 1 0 KJAFMM Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653762251 562911390 /nfs/dbraw/zinc/91/13/90/562911390.db2.gz OTTAVELDVHXTCV-UHFFFAOYSA-N -1 1 581.654 4.584 1 0 KJAFMM Cc1cc(S(=O)(=O)NCc2ccncc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653764978 562911571 /nfs/dbraw/zinc/91/15/71/562911571.db2.gz JDTVJGDPHHSONL-UHFFFAOYSA-N -1 1 581.654 4.584 1 0 KJAFMM Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653764989 562911591 /nfs/dbraw/zinc/91/15/91/562911591.db2.gz PXDFEYBLLDKVIR-UHFFFAOYSA-N -1 1 581.654 4.584 1 0 KJAFMM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[NH2+][C@@H](C)C(=O)[O-])cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653767500 562911658 /nfs/dbraw/zinc/91/16/58/562911658.db2.gz LHEQWVGIOZNGBL-SFHVURJKSA-N -1 1 547.011 4.926 1 0 KJAFMM CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653768329 562911765 /nfs/dbraw/zinc/91/17/65/562911765.db2.gz XSDAZBZRAFCIHG-UHFFFAOYSA-N -1 1 519.561 4.555 1 0 KJAFMM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCOCC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653775404 562911877 /nfs/dbraw/zinc/91/18/77/562911877.db2.gz LCMAISSCPSAMAJ-UHFFFAOYSA-N -1 1 588.064 4.905 1 0 KJAFMM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000072137471 562728254 /nfs/dbraw/zinc/72/82/54/562728254.db2.gz RNJYDPDYKKSVJS-ASHZAFPQSA-N -1 1 634.677 4.890 3 0 KJAFMM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000072137906 562728497 /nfs/dbraw/zinc/72/84/97/562728497.db2.gz QBWXDJXPSWUHMW-RPQPUBLWSA-N -1 1 693.910 4.665 3 0 KJAFMM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[n-]c2C(=O)Nc2cc(Br)ccc2F)cc1 ZINC000095570414 562768182 /nfs/dbraw/zinc/76/81/82/562768182.db2.gz YZXNLKKAXDNMFN-UHFFFAOYSA-N -1 1 532.370 4.841 3 0 KJAFMM COc1ccccc1-n1c([O-])c(Cc2ccccc2)c(=O)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000100612186 562807181 /nfs/dbraw/zinc/80/71/81/562807181.db2.gz KTEPKVJGXJBPIM-UHFFFAOYSA-N -1 1 507.999 4.922 3 0 KJAFMM