smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])N1CCOCC1 ZINC000045482786 1070781549 /nfs/dbraw/zinc/78/15/49/1070781549.db2.gz ZVZMUKUDXKIGSB-UHFFFAOYSA-N -2 0 402.411 -0.229 20 0 HBADRL CN1CCN(C(=O)CCNC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000046229485 1070904244 /nfs/dbraw/zinc/90/42/44/1070904244.db2.gz SRYCENLAEVFKME-UHFFFAOYSA-N -2 0 415.454 -0.314 20 0 HBADRL O=C([N-]NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1csc(N2CCOCC2)n1 ZINC000047477539 1068384332 /nfs/dbraw/zinc/38/43/32/1068384332.db2.gz OVDUXIZVBRSPKH-UHFFFAOYSA-N -2 0 417.407 -0.608 20 0 HBADRL COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)[O-] ZINC000055565787 1070725070 /nfs/dbraw/zinc/72/50/70/1070725070.db2.gz ZINAOPIAVIDUCR-UHFFFAOYSA-N -2 0 418.391 -0.008 20 0 HBADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cn1 ZINC000055597275 1071739050 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CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C ZINC000530526477 1069079285 /nfs/dbraw/zinc/07/92/85/1069079285.db2.gz PFFKGUXPOKHHAD-NEPJUHHUSA-N -2 0 420.465 -0.301 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C ZINC000530526479 1069080094 /nfs/dbraw/zinc/08/00/94/1069080094.db2.gz PFFKGUXPOKHHAD-NWDGAFQWSA-N -2 0 420.465 -0.301 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C ZINC000530526480 1069080057 /nfs/dbraw/zinc/08/00/57/1069080057.db2.gz PFFKGUXPOKHHAD-RYUDHWBXSA-N -2 0 420.465 -0.301 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C ZINC000530526675 1069080126 /nfs/dbraw/zinc/08/01/26/1069080126.db2.gz PFFKGUXPOKHHAD-VXGBXAGGSA-N -2 0 420.465 -0.301 20 0 HBADRL Cc1cc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531282320 1069108450 /nfs/dbraw/zinc/10/84/50/1069108450.db2.gz NSCUHCQBIPELDG-UHFFFAOYSA-N -2 0 409.362 -0.058 20 0 HBADRL COCCOCCS(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000532844967 1069241431 /nfs/dbraw/zinc/24/14/31/1069241431.db2.gz KGAKOQKKASRUCQ-UHFFFAOYSA-N -2 0 424.497 -0.182 20 0 HBADRL O=C(CSCC(=O)NC1(c2nnn[n-]2)CCCC1)NC1(c2nnn[n-]2)CCCC1 ZINC000534525817 1071218067 /nfs/dbraw/zinc/21/80/67/1071218067.db2.gz BZCWRNBDISGCKB-UHFFFAOYSA-N -2 0 420.503 -0.083 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000534881412 1071235447 /nfs/dbraw/zinc/23/54/47/1071235447.db2.gz FVPCFAGGPUVYDK-UHFFFAOYSA-N -2 0 417.469 -0.061 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000535598036 1071263274 /nfs/dbraw/zinc/26/32/74/1071263274.db2.gz MAMKAVBYDUHBOK-UHFFFAOYSA-N -2 0 417.469 -0.061 20 0 HBADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000538091658 1069634820 /nfs/dbraw/zinc/63/48/20/1069634820.db2.gz XJNUBBRCBYBROJ-INIZCTEOSA-N -2 0 423.407 -0.018 20 0 HBADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000538091660 1069634823 /nfs/dbraw/zinc/63/48/23/1069634823.db2.gz XJNUBBRCBYBROJ-MRXNPFEDSA-N -2 0 423.407 -0.018 20 0 HBADRL Cn1ccnc1-c1cc(=NC(=O)COCC(=O)N=c2cc(-c3nccn3C)[n-][nH]2)[nH][n-]1 ZINC000540470202 1071359499 /nfs/dbraw/zinc/35/94/99/1071359499.db2.gz KEDKPEHKONNJGF-UHFFFAOYSA-N -2 0 424.425 -0.629 20 0 HBADRL CN=c1[n-]nc(CC(=O)NCC(C)(C)CNC(=O)Cc2n[n-]c(=NC)s2)s1 ZINC000543699341 1071808663 /nfs/dbraw/zinc/80/86/63/1071808663.db2.gz OCEJMBPDNKFPHT-UHFFFAOYSA-N -2 0 412.545 -0.639 20 0 HBADRL CN=c1[n-]nc(CC(=O)NC[C@@H](NC(=O)Cc2n[n-]c(=NC)s2)C(C)C)s1 ZINC000544740348 1072030538 /nfs/dbraw/zinc/03/05/38/1072030538.db2.gz BEFAUDGSOJUFBM-SECBINFHSA-N -2 0 412.545 -0.641 20 0 HBADRL CN=c1[n-]nc(CC(=O)NC[C@H](NC(=O)Cc2n[n-]c(=NC)s2)C(C)C)s1 ZINC000544740353 1072031166 /nfs/dbraw/zinc/03/11/66/1072031166.db2.gz BEFAUDGSOJUFBM-VIFPVBQESA-N -2 0 412.545 -0.641 20 0 HBADRL CN=c1[n-]nc(CC(=O)N2C[C@H](C)N(C(=O)Cc3n[n-]c(=NC)s3)C[C@H]2C)s1 ZINC000544784685 1072035431 /nfs/dbraw/zinc/03/54/31/1072035431.db2.gz MJHOAPAFTHRUKY-AOOOYVTPSA-N -2 0 424.556 -0.450 20 0 HBADRL CN=c1[n-]nc(CC(=O)NC[C@@H](NC(=O)Cc2n[n-]c(=NC)s2)C2CC2)s1 ZINC000546084584 1072121427 /nfs/dbraw/zinc/12/14/27/1072121427.db2.gz WNOPOSKBBJKADP-SECBINFHSA-N -2 0 410.529 -0.887 20 0 HBADRL CN=c1[n-]nc(CC(=O)NC[C@H](NC(=O)Cc2n[n-]c(=NC)s2)C2CC2)s1 ZINC000546084585 1072121358 /nfs/dbraw/zinc/12/13/58/1072121358.db2.gz WNOPOSKBBJKADP-VIFPVBQESA-N -2 0 410.529 -0.887 20 0 HBADRL CN=c1[n-]nc(CC(=O)N2CCCN(C(=O)Cc3n[n-]c(=NC)s3)CC2)s1 ZINC000546091097 1072121973 /nfs/dbraw/zinc/12/19/73/1072121973.db2.gz ZUTMPDPZXVZFDG-UHFFFAOYSA-N -2 0 410.529 -0.837 20 0 HBADRL CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1F ZINC000547869989 1068321849 /nfs/dbraw/zinc/32/18/49/1068321849.db2.gz XMYNFVFDKAJHDO-UHFFFAOYSA-N -2 0 411.433 -0.544 20 0 HBADRL C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC000547871286 1068321670 /nfs/dbraw/zinc/32/16/70/1068321670.db2.gz QABBBFFUHFHRJP-XCBNKYQSSA-N -2 0 420.387 -0.361 20 0 HBADRL O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000547872559 1068322097 /nfs/dbraw/zinc/32/20/97/1068322097.db2.gz JKASWSGVTRYYLH-SECBINFHSA-N -2 0 406.360 -0.749 20 0 HBADRL Cn1cc(S(=O)(=O)NC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547872597 1068321886 /nfs/dbraw/zinc/32/18/86/1068321886.db2.gz GQPNIKKHMXJEQV-LLVKDONJSA-N -2 0 415.855 -0.041 20 0 HBADRL Cn1cc(S(=O)(=O)NC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547872598 1068322050 /nfs/dbraw/zinc/32/20/50/1068322050.db2.gz GQPNIKKHMXJEQV-NSHDSACASA-N -2 0 415.855 -0.041 20 0 HBADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1 ZINC000547873790 1068321787 /nfs/dbraw/zinc/32/17/87/1068321787.db2.gz YOSHJMBPOLPWCE-LLVKDONJSA-N -2 0 406.417 -0.106 20 0 HBADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000547874024 1068322811 /nfs/dbraw/zinc/32/28/11/1068322811.db2.gz KSICNDHZKWHLJT-LBPRGKRZSA-N -2 0 406.438 -0.323 20 0 HBADRL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000547877452 1068324009 /nfs/dbraw/zinc/32/40/09/1068324009.db2.gz XCGUCNBUXIDZAI-SECBINFHSA-N -2 0 414.483 -0.564 20 0 HBADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000547880611 1068324317 /nfs/dbraw/zinc/32/43/17/1068324317.db2.gz SQAFFPFMYFPUKR-GFCCVEGCSA-N -2 0 406.438 -0.323 20 0 HBADRL Cc1c(C(=O)[O-])sc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-] ZINC000547882612 1068323507 /nfs/dbraw/zinc/32/35/07/1068323507.db2.gz VKFSSHMJKBNQSJ-UHFFFAOYSA-N -2 0 412.467 -0.281 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000547882647 1068323377 /nfs/dbraw/zinc/32/33/77/1068323377.db2.gz VXWXJIKTACHSHQ-UHFFFAOYSA-N -3 0 410.426 -0.383 20 0 HBADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000547884807 1068325482 /nfs/dbraw/zinc/32/54/82/1068325482.db2.gz NZUCJPCVSPVROR-SECBINFHSA-N -2 0 406.438 -0.419 20 0 HBADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000547884808 1068325184 /nfs/dbraw/zinc/32/51/84/1068325184.db2.gz NZUCJPCVSPVROR-VIFPVBQESA-N -2 0 406.438 -0.419 20 0 HBADRL COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1OC ZINC000547897542 1068325141 /nfs/dbraw/zinc/32/51/41/1068325141.db2.gz UNOYTIMCYHKSDM-MRVPVSSYSA-N -2 0 405.381 -0.056 20 0 HBADRL COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1OC ZINC000547897543 1068325336 /nfs/dbraw/zinc/32/53/36/1068325336.db2.gz UNOYTIMCYHKSDM-QMMMGPOBSA-N -2 0 405.381 -0.056 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000547904898 1068327611 /nfs/dbraw/zinc/32/76/11/1068327611.db2.gz SFFSVTGRJYNPOC-BXKDBHETSA-N -2 0 408.454 -0.335 20 0 HBADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000547909373 1068328420 /nfs/dbraw/zinc/32/84/20/1068328420.db2.gz JJVIOWUUYATRQU-LBPRGKRZSA-N -2 0 406.438 -0.276 20 0 HBADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000547917624 1068329900 /nfs/dbraw/zinc/32/99/00/1068329900.db2.gz QAESGZICLSKXIS-ZDUSSCGKSA-N -2 0 400.409 -0.245 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000547917692 1068330043 /nfs/dbraw/zinc/33/00/43/1068330043.db2.gz SVTPTGOCTCBMKB-CHWSQXEVSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000547917693 1068330173 /nfs/dbraw/zinc/33/01/73/1068330173.db2.gz SVTPTGOCTCBMKB-OLZOCXBDSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000547917694 1068330203 /nfs/dbraw/zinc/33/02/03/1068330203.db2.gz SVTPTGOCTCBMKB-QWHCGFSZSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000547917695 1068330026 /nfs/dbraw/zinc/33/00/26/1068330026.db2.gz SVTPTGOCTCBMKB-STQMWFEESA-N -2 0 420.465 -0.267 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000547922531 1068331672 /nfs/dbraw/zinc/33/16/72/1068331672.db2.gz FUZJIDZVIYSGMP-NEPJUHHUSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000547922532 1068331597 /nfs/dbraw/zinc/33/15/97/1068331597.db2.gz FUZJIDZVIYSGMP-NWDGAFQWSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000547922533 1068331797 /nfs/dbraw/zinc/33/17/97/1068331797.db2.gz FUZJIDZVIYSGMP-RYUDHWBXSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000547922534 1068331729 /nfs/dbraw/zinc/33/17/29/1068331729.db2.gz FUZJIDZVIYSGMP-VXGBXAGGSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000547922690 1068331170 /nfs/dbraw/zinc/33/11/70/1068331170.db2.gz KIDDOYCNRJMXBI-AWEZNQCLSA-N -2 0 406.438 -0.465 20 0 HBADRL CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000547922691 1068331255 /nfs/dbraw/zinc/33/12/55/1068331255.db2.gz KIDDOYCNRJMXBI-CQSZACIVSA-N -2 0 406.438 -0.465 20 0 HBADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000547925150 1068331658 /nfs/dbraw/zinc/33/16/58/1068331658.db2.gz PUKNECSQEUJGEQ-CHWSQXEVSA-N -2 0 420.465 -0.598 20 0 HBADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000547925151 1068331721 /nfs/dbraw/zinc/33/17/21/1068331721.db2.gz PUKNECSQEUJGEQ-OLZOCXBDSA-N -2 0 420.465 -0.598 20 0 HBADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000547925152 1068331813 /nfs/dbraw/zinc/33/18/13/1068331813.db2.gz PUKNECSQEUJGEQ-QWHCGFSZSA-N -2 0 420.465 -0.598 20 0 HBADRL O=C([O-])[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000547925153 1068332202 /nfs/dbraw/zinc/33/22/02/1068332202.db2.gz PUKNECSQEUJGEQ-STQMWFEESA-N -2 0 420.465 -0.598 20 0 HBADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C[C@@H]1C(=O)[O-] ZINC000547925285 1068332347 /nfs/dbraw/zinc/33/23/47/1068332347.db2.gz SEVRHYATFJDZPA-NEPJUHHUSA-N -2 0 403.434 -0.188 20 0 HBADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C(=O)[O-] ZINC000547925286 1068332187 /nfs/dbraw/zinc/33/21/87/1068332187.db2.gz SEVRHYATFJDZPA-NWDGAFQWSA-N -2 0 403.434 -0.188 20 0 HBADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC[C@@H]1C(=O)[O-] ZINC000547925287 1068332072 /nfs/dbraw/zinc/33/20/72/1068332072.db2.gz SEVRHYATFJDZPA-RYUDHWBXSA-N -2 0 403.434 -0.188 20 0 HBADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C(=O)[O-] ZINC000547925288 1068332377 /nfs/dbraw/zinc/33/23/77/1068332377.db2.gz SEVRHYATFJDZPA-VXGBXAGGSA-N -2 0 403.434 -0.188 20 0 HBADRL C[C@@](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)(CC(=O)[O-])C(=O)[O-] ZINC000547940717 1068336097 /nfs/dbraw/zinc/33/60/97/1068336097.db2.gz XGKYGMLJGAINGW-HNNXBMFYSA-N -2 0 420.465 -0.029 20 0 HBADRL C[C@](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)(CC(=O)[O-])C(=O)[O-] ZINC000547940718 1068336260 /nfs/dbraw/zinc/33/62/60/1068336260.db2.gz XGKYGMLJGAINGW-OAHLLOKOSA-N -2 0 420.465 -0.029 20 0 HBADRL COC(=O)c1sc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(C(=O)OC)c1C ZINC000548201441 1068517249 /nfs/dbraw/zinc/51/72/49/1068517249.db2.gz PQDSZOJSHMGVFF-UHFFFAOYSA-N -2 0 409.394 -0.210 20 0 HBADRL CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548207285 1068518551 /nfs/dbraw/zinc/51/85/51/1068518551.db2.gz IEZSQHVLUPIRBU-GFCCVEGCSA-N -2 0 408.454 -0.077 20 0 HBADRL Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548208817 1068519073 /nfs/dbraw/zinc/51/90/73/1068519073.db2.gz CPUHECHFLUZXBM-ZETCQYMHSA-N -2 0 401.319 -0.477 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000548208828 1068519161 /nfs/dbraw/zinc/51/91/61/1068519161.db2.gz CWUVZKYBKLVGPG-NSHDSACASA-N -2 0 424.453 -0.249 20 0 HBADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000548221708 1068521195 /nfs/dbraw/zinc/52/11/95/1068521195.db2.gz AZRYCMXWCBFCND-LLVKDONJSA-N -2 0 420.465 -0.075 20 0 HBADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000548221709 1068521294 /nfs/dbraw/zinc/52/12/94/1068521294.db2.gz AZRYCMXWCBFCND-NSHDSACASA-N -2 0 420.465 -0.075 20 0 HBADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548227429 1068522317 /nfs/dbraw/zinc/52/23/17/1068522317.db2.gz PKVTULFQHKSHKE-LLVKDONJSA-N -2 0 420.465 -0.075 20 0 HBADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548227430 1068522328 /nfs/dbraw/zinc/52/23/28/1068522328.db2.gz PKVTULFQHKSHKE-NSHDSACASA-N -2 0 420.465 -0.075 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000548245293 1068524341 /nfs/dbraw/zinc/52/43/41/1068524341.db2.gz ISWCLKIENRSBMA-CHWSQXEVSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000548245294 1068524358 /nfs/dbraw/zinc/52/43/58/1068524358.db2.gz ISWCLKIENRSBMA-OLZOCXBDSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000548245295 1068524505 /nfs/dbraw/zinc/52/45/05/1068524505.db2.gz ISWCLKIENRSBMA-QWHCGFSZSA-N -2 0 420.465 -0.267 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000548245296 1068524428 /nfs/dbraw/zinc/52/44/28/1068524428.db2.gz ISWCLKIENRSBMA-STQMWFEESA-N -2 0 420.465 -0.267 20 0 HBADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1F ZINC000548246288 1068524469 /nfs/dbraw/zinc/52/44/69/1068524469.db2.gz TZQKWMPWCVBBBK-NXEZZACHSA-N -2 0 424.428 -0.007 20 0 HBADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1F ZINC000548246289 1068524226 /nfs/dbraw/zinc/52/42/26/1068524226.db2.gz TZQKWMPWCVBBBK-UWVGGRQHSA-N -2 0 424.428 -0.007 20 0 HBADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1F ZINC000548246290 1068524250 /nfs/dbraw/zinc/52/42/50/1068524250.db2.gz TZQKWMPWCVBBBK-VHSXEESVSA-N -2 0 424.428 -0.007 20 0 HBADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1F ZINC000548246291 1068524395 /nfs/dbraw/zinc/52/43/95/1068524395.db2.gz TZQKWMPWCVBBBK-ZJUUUORDSA-N -2 0 424.428 -0.007 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548261660 1068529440 /nfs/dbraw/zinc/52/94/40/1068529440.db2.gz IOXFKQSVAVFMOB-AWEZNQCLSA-N -2 0 408.454 -0.219 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548261661 1068529472 /nfs/dbraw/zinc/52/94/72/1068529472.db2.gz IOXFKQSVAVFMOB-CQSZACIVSA-N -2 0 408.454 -0.219 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548263268 1068530002 /nfs/dbraw/zinc/53/00/02/1068530002.db2.gz VQFXERWIFQSFTG-AWEZNQCLSA-N -2 0 408.454 -0.219 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548263269 1068529793 /nfs/dbraw/zinc/52/97/93/1068529793.db2.gz VQFXERWIFQSFTG-CQSZACIVSA-N -2 0 408.454 -0.219 20 0 HBADRL COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(C(=O)OC)c1C ZINC000548525510 1068614760 /nfs/dbraw/zinc/61/47/60/1068614760.db2.gz KFDZUNLNYQSTBG-UHFFFAOYSA-N -2 0 408.410 -0.891 20 0 HBADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000548529937 1068615616 /nfs/dbraw/zinc/61/56/16/1068615616.db2.gz JZIIANZKQYPLTP-UHFFFAOYSA-N -2 0 406.438 -0.369 20 0 HBADRL Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548532050 1068615699 /nfs/dbraw/zinc/61/56/99/1068615699.db2.gz CPUHECHFLUZXBM-SSDOTTSWSA-N -2 0 401.319 -0.477 20 0 HBADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000548532738 1068616328 /nfs/dbraw/zinc/61/63/28/1068616328.db2.gz KKOCAKWTBNOQDX-SNVBAGLBSA-N -2 0 406.438 -0.323 20 0 HBADRL CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(OC)c1 ZINC000548536750 1068617793 /nfs/dbraw/zinc/61/77/93/1068617793.db2.gz RUEMBARBAAGMIT-UHFFFAOYSA-N -2 0 410.426 -0.383 20 0 HBADRL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1 ZINC000548536788 1068617886 /nfs/dbraw/zinc/61/78/86/1068617886.db2.gz UJHGHCSJQHYPMA-UHFFFAOYSA-N -2 0 414.483 -0.610 20 0 HBADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c(=O)n(C)c1=O ZINC000548537703 1068617099 /nfs/dbraw/zinc/61/70/99/1068617099.db2.gz IKLDSQVGKGOLAI-UHFFFAOYSA-N -2 0 405.392 -0.231 20 0 HBADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000548551359 1068621219 /nfs/dbraw/zinc/62/12/19/1068621219.db2.gz QKBUYJXLYIQVKX-JTQLQIEISA-N -2 0 406.438 -0.320 20 0 HBADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000548551360 1068621158 /nfs/dbraw/zinc/62/11/58/1068621158.db2.gz QKBUYJXLYIQVKX-SNVBAGLBSA-N -2 0 406.438 -0.320 20 0 HBADRL Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548551534 1068620592 /nfs/dbraw/zinc/62/05/92/1068620592.db2.gz LOVGGJMFSSBGKX-SSDOTTSWSA-N -2 0 415.346 -0.229 20 0 HBADRL Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548551535 1068620514 /nfs/dbraw/zinc/62/05/14/1068620514.db2.gz LOVGGJMFSSBGKX-ZETCQYMHSA-N -2 0 415.346 -0.229 20 0 HBADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548556356 1068622586 /nfs/dbraw/zinc/62/25/86/1068622586.db2.gz LSUUYWWBCJJYJJ-GFCCVEGCSA-N -2 0 400.409 -0.387 20 0 HBADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548556357 1068622483 /nfs/dbraw/zinc/62/24/83/1068622483.db2.gz LSUUYWWBCJJYJJ-LBPRGKRZSA-N -2 0 400.409 -0.387 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000548560502 1068623195 /nfs/dbraw/zinc/62/31/95/1068623195.db2.gz MFBIGGRNYXYSPC-GFCCVEGCSA-N -2 0 408.454 -0.069 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000548560503 1068623136 /nfs/dbraw/zinc/62/31/36/1068623136.db2.gz MFBIGGRNYXYSPC-LBPRGKRZSA-N -2 0 408.454 -0.069 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548574435 1068626588 /nfs/dbraw/zinc/62/65/88/1068626588.db2.gz YLGXMXZWVIEYBZ-HNNXBMFYSA-N -2 0 420.465 -0.123 20 0 HBADRL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548574442 1068626593 /nfs/dbraw/zinc/62/65/93/1068626593.db2.gz YLGXMXZWVIEYBZ-OAHLLOKOSA-N -2 0 420.465 -0.123 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000548575388 1068625149 /nfs/dbraw/zinc/62/51/49/1068625149.db2.gz GRNHGSLWEGKHGB-NEPJUHHUSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000548575389 1068625351 /nfs/dbraw/zinc/62/53/51/1068625351.db2.gz GRNHGSLWEGKHGB-NWDGAFQWSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000548575390 1068626104 /nfs/dbraw/zinc/62/61/04/1068626104.db2.gz GRNHGSLWEGKHGB-RYUDHWBXSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000548575391 1068625854 /nfs/dbraw/zinc/62/58/54/1068625854.db2.gz GRNHGSLWEGKHGB-VXGBXAGGSA-N -2 0 406.438 -0.609 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548575521 1068625242 /nfs/dbraw/zinc/62/52/42/1068625242.db2.gz HVXVYMJXWPHKJV-AWEZNQCLSA-N -2 0 406.438 -0.465 20 0 HBADRL CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548575522 1068625128 /nfs/dbraw/zinc/62/51/28/1068625128.db2.gz HVXVYMJXWPHKJV-CQSZACIVSA-N -2 0 406.438 -0.465 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000548576234 1068627178 /nfs/dbraw/zinc/62/71/78/1068627178.db2.gz ACARSJPSXMJXFM-HNNXBMFYSA-N -2 0 420.465 -0.123 20 0 HBADRL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000548576235 1068627324 /nfs/dbraw/zinc/62/73/24/1068627324.db2.gz ACARSJPSXMJXFM-OAHLLOKOSA-N -2 0 420.465 -0.123 20 0 HBADRL O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)C1 ZINC000548580701 1068627718 /nfs/dbraw/zinc/62/77/18/1068627718.db2.gz YVGHGZPYDISPRZ-BDAKNGLRSA-N -2 0 423.407 -0.868 20 0 HBADRL O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)C1 ZINC000548580702 1068627763 /nfs/dbraw/zinc/62/77/63/1068627763.db2.gz YVGHGZPYDISPRZ-DTWKUNHWSA-N -2 0 423.407 -0.868 20 0 HBADRL O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)C1 ZINC000548580703 1068628005 /nfs/dbraw/zinc/62/80/05/1068628005.db2.gz YVGHGZPYDISPRZ-IUCAKERBSA-N -2 0 423.407 -0.868 20 0 HBADRL O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)C1 ZINC000548580704 1068627995 /nfs/dbraw/zinc/62/79/95/1068627995.db2.gz YVGHGZPYDISPRZ-RKDXNWHRSA-N -2 0 423.407 -0.868 20 0 HBADRL C[C@@](CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548594421 1068632503 /nfs/dbraw/zinc/63/25/03/1068632503.db2.gz HCWUFOKDYVSDQY-HNNXBMFYSA-N -2 0 420.465 -0.029 20 0 HBADRL C[C@](CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548594422 1068632616 /nfs/dbraw/zinc/63/26/16/1068632616.db2.gz HCWUFOKDYVSDQY-OAHLLOKOSA-N -2 0 420.465 -0.029 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000548836291 1068892908 /nfs/dbraw/zinc/89/29/08/1068892908.db2.gz XPPNMFOIOSEIAZ-AWEZNQCLSA-N -2 0 408.454 -0.021 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000548836292 1068892931 /nfs/dbraw/zinc/89/29/31/1068892931.db2.gz XPPNMFOIOSEIAZ-CQSZACIVSA-N -2 0 408.454 -0.021 20 0 HBADRL CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000548876607 1068924233 /nfs/dbraw/zinc/92/42/33/1068924233.db2.gz IHJZUHOCBOOVOO-LBPRGKRZSA-N -2 0 408.454 -0.077 20 0 HBADRL CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000549017152 1068997294 /nfs/dbraw/zinc/99/72/94/1068997294.db2.gz IHJZUHOCBOOVOO-GFCCVEGCSA-N -2 0 408.454 -0.077 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000549517430 1069185682 /nfs/dbraw/zinc/18/56/82/1069185682.db2.gz RPOWFJKDAFFNJN-AWEZNQCLSA-N -2 0 409.438 -0.057 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000549517431 1069185521 /nfs/dbraw/zinc/18/55/21/1069185521.db2.gz RPOWFJKDAFFNJN-CQSZACIVSA-N -2 0 409.438 -0.057 20 0 HBADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000553597899 1069979917 /nfs/dbraw/zinc/97/99/17/1069979917.db2.gz KPGAPVGTGAPWMY-UHFFFAOYSA-N -2 0 410.408 -0.911 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000554537968 1070090820 /nfs/dbraw/zinc/09/08/20/1070090820.db2.gz SFFSVTGRJYNPOC-CABZTGNLSA-N -2 0 408.454 -0.335 20 0 HBADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000555129407 1070171827 /nfs/dbraw/zinc/17/18/27/1070171827.db2.gz LZZROGNAMHSFPK-UHFFFAOYSA-N -2 0 415.515 -0.677 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000555409637 1070197324 /nfs/dbraw/zinc/19/73/24/1070197324.db2.gz UKPPQKNZTSZBOA-GHMZBOCLSA-N -2 0 421.449 -0.105 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000555409638 1070198272 /nfs/dbraw/zinc/19/82/72/1070198272.db2.gz UKPPQKNZTSZBOA-MNOVXSKESA-N -2 0 421.449 -0.105 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000555409639 1070198386 /nfs/dbraw/zinc/19/83/86/1070198386.db2.gz UKPPQKNZTSZBOA-QWRGUYRKSA-N -2 0 421.449 -0.105 20 0 HBADRL COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000555409640 1070198323 /nfs/dbraw/zinc/19/83/23/1070198323.db2.gz UKPPQKNZTSZBOA-WDEREUQCSA-N -2 0 421.449 -0.105 20 0 HBADRL COCCNC(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000556774516 1071994625 /nfs/dbraw/zinc/99/46/25/1071994625.db2.gz KGWWRURMSYPIRI-INIZCTEOSA-N -2 0 402.425 -0.093 20 0 HBADRL COCCNC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000556774518 1071994541 /nfs/dbraw/zinc/99/45/41/1071994541.db2.gz KGWWRURMSYPIRI-MRXNPFEDSA-N -2 0 402.425 -0.093 20 0 HBADRL COCCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000560419147 1068716269 /nfs/dbraw/zinc/71/62/69/1068716269.db2.gz RPHPIZLLZMFAFU-ZIAGYGMSSA-N -2 0 414.436 -0.141 20 0 HBADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)[O-] ZINC000581642198 1068506065 /nfs/dbraw/zinc/50/60/65/1068506065.db2.gz BRZVGLSXHHNQJS-JTQLQIEISA-N -2 0 406.438 -0.276 20 0 HBADRL 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CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000589437694 1070776520 /nfs/dbraw/zinc/77/65/20/1070776520.db2.gz ZAEWMVDQBHYNJP-UHFFFAOYSA-N -2 0 409.424 -0.414 20 0 HBADRL Cc1nn2c(SCCCSc3n[n-]c4nc(=O)c(C)nn34)n[n-]c2nc1=O ZINC000604143927 1071013742 /nfs/dbraw/zinc/01/37/42/1071013742.db2.gz ZBCIBXAROSPLNL-UHFFFAOYSA-N -2 0 406.457 -0.170 20 0 HBADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000605118945 1071045770 /nfs/dbraw/zinc/04/57/70/1071045770.db2.gz RELSDZFDYBUJAC-LLVKDONJSA-N -2 0 421.435 -0.003 20 0 HBADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000605118948 1071045791 /nfs/dbraw/zinc/04/57/91/1071045791.db2.gz RELSDZFDYBUJAC-NSHDSACASA-N -2 0 421.435 -0.003 20 0 HBADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cn1 ZINC000614849461 1069224143 /nfs/dbraw/zinc/22/41/43/1069224143.db2.gz KEJXFGHMVPLXLO-LLVKDONJSA-N -2 0 421.435 -0.133 20 0 HBADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cn1 ZINC000614849462 1069224360 /nfs/dbraw/zinc/22/43/60/1069224360.db2.gz KEJXFGHMVPLXLO-NSHDSACASA-N -2 0 421.435 -0.133 20 0 HBADRL COC(=O)CCN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000619471960 1072140243 /nfs/dbraw/zinc/14/02/43/1072140243.db2.gz QSDYRWQGVPQQJJ-CYBMUJFWSA-N -2 0 402.425 -0.361 20 0 HBADRL COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000619471961 1072140275 /nfs/dbraw/zinc/14/02/75/1072140275.db2.gz QSDYRWQGVPQQJJ-ZDUSSCGKSA-N -2 0 402.425 -0.361 20 0 HBADRL COC(=O)c1ccc(=NC(=O)CC(C)CC(=O)N=c2ccc(C(=O)OC)n[n-]2)[n-]n1 ZINC000619601788 1072142087 /nfs/dbraw/zinc/14/20/87/1072142087.db2.gz GJHWUBZKXBMVRV-UHFFFAOYSA-N -2 0 416.394 -0.323 20 0 HBADRL COC(=O)c1ccc(=NC(=O)CCCC(=O)N=c2ccc(C(=O)OC)n[n-]2)[n-]n1 ZINC000619601893 1072142156 /nfs/dbraw/zinc/14/21/56/1072142156.db2.gz BJHLVCJJUOBDAU-UHFFFAOYSA-N -2 0 402.367 -0.569 20 0 HBADRL COC(=O)c1ccc(=NC(=O)[C@H](C)[C@H](C)C(=O)N=c2ccc(C(=O)OC)n[n-]2)[n-]n1 ZINC000619606248 1072142172 /nfs/dbraw/zinc/14/21/72/1072142172.db2.gz YYDVEJHOBUMQLA-AOOOYVTPSA-N -2 0 416.394 -0.467 20 0 HBADRL COC(=O)c1ccc(=NC(=O)[C@H](C)[C@@H](C)C(=O)N=c2ccc(C(=O)OC)n[n-]2)[n-]n1 ZINC000619606253 1072142485 /nfs/dbraw/zinc/14/24/85/1072142485.db2.gz YYDVEJHOBUMQLA-NXEZZACHSA-N -2 0 416.394 -0.467 20 0 HBADRL COC(=O)c1ccc(=NC(=O)[C@@H](C)[C@H](C)C(=O)N=c2ccc(C(=O)OC)n[n-]2)[n-]n1 ZINC000619606254 1072142526 /nfs/dbraw/zinc/14/25/26/1072142526.db2.gz YYDVEJHOBUMQLA-UWVGGRQHSA-N -2 0 416.394 -0.467 20 0 HBADRL CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000672786595 1069269664 /nfs/dbraw/zinc/26/96/64/1069269664.db2.gz JDMAEUVPZZLBTE-GFCCVEGCSA-N -2 0 408.454 -0.029 20 0 HBADRL Cn1cc(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cc1C(N)=O ZINC000684561570 1068578352 /nfs/dbraw/zinc/57/83/52/1068578352.db2.gz HAWMCPCXPJGEKF-CYBMUJFWSA-N -2 0 409.420 -0.275 20 0 HBADRL Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cc1C(N)=O ZINC000684561571 1068578652 /nfs/dbraw/zinc/57/86/52/1068578652.db2.gz HAWMCPCXPJGEKF-ZDUSSCGKSA-N -2 0 409.420 -0.275 20 0 HBADRL CCS(=O)(=O)NCCS(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561707 1068579325 /nfs/dbraw/zinc/57/93/25/1068579325.db2.gz LCCAGAGHDBZNDB-CYBMUJFWSA-N -2 0 422.481 -0.832 20 0 HBADRL CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561713 1068579279 /nfs/dbraw/zinc/57/92/79/1068579279.db2.gz LCCAGAGHDBZNDB-ZDUSSCGKSA-N -2 0 422.481 -0.832 20 0 HBADRL CNC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cn1C ZINC000684562089 1068578568 /nfs/dbraw/zinc/57/85/68/1068578568.db2.gz RDLKSWIUWADPID-AWEZNQCLSA-N -2 0 423.447 -0.014 20 0 HBADRL CNC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cn1C ZINC000684562090 1068578898 /nfs/dbraw/zinc/57/88/98/1068578898.db2.gz RDLKSWIUWADPID-CQSZACIVSA-N -2 0 423.447 -0.014 20 0 HBADRL 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ZINC000763084388 1071727616 /nfs/dbraw/zinc/72/76/16/1071727616.db2.gz AUGQZXBYHXUAPG-UHFFFAOYSA-N -2 0 400.438 -0.250 20 0 HBADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000763278597 1071745772 /nfs/dbraw/zinc/74/57/72/1071745772.db2.gz NQTIJVZTJHABRV-UHFFFAOYSA-N -2 0 409.214 -0.065 20 0 HBADRL NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000766920287 1070161099 /nfs/dbraw/zinc/16/10/99/1070161099.db2.gz ADQMGLCZVKSGJB-UHFFFAOYSA-N -2 0 422.444 -0.129 20 0 HBADRL COCCCn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[n-]c1=S ZINC000766925936 1070163333 /nfs/dbraw/zinc/16/33/33/1070163333.db2.gz VDSDBSFMTUXIEV-UHFFFAOYSA-N -2 0 414.465 -0.733 20 0 HBADRL O=C1NC2(CCCCC2)C(=O)N1[N-]S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000767528393 1070182530 /nfs/dbraw/zinc/18/25/30/1070182530.db2.gz FTXSCOUJRSWJFU-UHFFFAOYSA-N -2 0 408.396 -0.116 20 0 HBADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000767839573 1070196469 /nfs/dbraw/zinc/19/64/69/1070196469.db2.gz UNBKMGQVMJKGAO-UHFFFAOYSA-N -2 0 406.442 -0.456 20 0 HBADRL COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000768208630 1070206204 /nfs/dbraw/zinc/20/62/04/1070206204.db2.gz FWAHZGNQBBCRPM-UHFFFAOYSA-N -2 0 401.466 -0.055 20 0 HBADRL O=C([O-])CNC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769620996 1070229699 /nfs/dbraw/zinc/22/96/99/1070229699.db2.gz JOFXSCBZZDZNKJ-UHFFFAOYSA-N -2 0 401.216 -0.312 20 0 HBADRL O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000771151606 1070262581 /nfs/dbraw/zinc/26/25/81/1070262581.db2.gz YTESMEXNSZFXKY-UHFFFAOYSA-N -2 0 413.177 -0.235 20 0 HBADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cn1 ZINC000776302660 1071800095 /nfs/dbraw/zinc/80/00/95/1071800095.db2.gz BCUINNVRTVCVQQ-UHFFFAOYSA-N -2 0 416.437 -0.318 20 0 HBADRL COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c([N-]S(=O)(=O)C(F)F)c1 ZINC000776437450 1071805171 /nfs/dbraw/zinc/80/51/71/1071805171.db2.gz 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C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1)OC[P@@](=O)([O-])O ZINC001187732039 1071597640 /nfs/dbraw/zinc/59/76/40/1071597640.db2.gz UKROLLSFZSGAGY-MRVPVSSYSA-N -2 0 417.344 -0.110 20 0 HBADRL COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001188353227 1071607065 /nfs/dbraw/zinc/60/70/65/1071607065.db2.gz ULLYCSCMJHLMFM-UHFFFAOYSA-N -2 0 423.344 -0.717 20 0 HBADRL COC(=O)CCS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001188392734 1071606444 /nfs/dbraw/zinc/60/64/44/1071606444.db2.gz QYCIJJSJTCZSNL-UHFFFAOYSA-N -3 0 403.412 -0.515 20 0 HBADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189703644 1071628705 /nfs/dbraw/zinc/62/87/05/1071628705.db2.gz LGZFJTUZFZLXSL-LBPRGKRZSA-N -2 0 410.408 -0.412 20 0 HBADRL N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871931 1071630376 /nfs/dbraw/zinc/63/03/76/1071630376.db2.gz PYVZPHQWIZDYTQ-UHFFFAOYSA-N -2 0 424.310 -0.579 20 0 HBADRL COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001189886938 1071632069 /nfs/dbraw/zinc/63/20/69/1071632069.db2.gz KKAAAXLBCRAMCR-LLVKDONJSA-N -2 0 419.348 -0.040 20 0 HBADRL COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001189886939 1071632194 /nfs/dbraw/zinc/63/21/94/1071632194.db2.gz KKAAAXLBCRAMCR-NSHDSACASA-N -2 0 419.348 -0.040 20 0 HBADRL NS(=O)(=O)c1cncc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c1 ZINC001189915199 1071630856 /nfs/dbraw/zinc/63/08/56/1071630856.db2.gz PLBYEUYJSLCYNM-UHFFFAOYSA-N -2 0 401.378 -0.074 20 0 HBADRL CC(=O)NCc1nnc2n1CCN(C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C2 ZINC001189922828 1071631436 /nfs/dbraw/zinc/63/14/36/1071631436.db2.gz DGSCDPGKBVCFGD-UHFFFAOYSA-N -2 0 423.407 -0.485 20 0 HBADRL CC(C)NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189923430 1071631459 /nfs/dbraw/zinc/63/14/59/1071631459.db2.gz KYBZZLXBXVARQB-UHFFFAOYSA-N -2 0 413.452 -0.086 20 0 HBADRL COC(=O)[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCN1C(C)=O ZINC001189924422 1071631635 /nfs/dbraw/zinc/63/16/35/1071631635.db2.gz OSNYGACGDVDHHA-CYBMUJFWSA-N -2 0 414.392 -0.523 20 0 HBADRL COC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCN1C(C)=O ZINC001189924423 1071631535 /nfs/dbraw/zinc/63/15/35/1071631535.db2.gz OSNYGACGDVDHHA-ZDUSSCGKSA-N -2 0 414.392 -0.523 20 0 HBADRL O=C([O-])c1cc(C(=O)N2[C@@H]3CC[C@H]2CC2(C3)NC(=O)NC2=O)cc(S(=O)(=O)[O-])c1 ZINC001189924438 1071631556 /nfs/dbraw/zinc/63/15/56/1071631556.db2.gz PDQFIOGPSNJIGN-DNJLBHFNSA-N -2 0 423.403 -0.023 20 0 HBADRL CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189924511 1071631503 /nfs/dbraw/zinc/63/15/03/1071631503.db2.gz YTTFWIVTBLSVEG-GFCCVEGCSA-N -2 0 414.392 -0.475 20 0 HBADRL CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189924512 1071631451 /nfs/dbraw/zinc/63/14/51/1071631451.db2.gz YTTFWIVTBLSVEG-LBPRGKRZSA-N -2 0 414.392 -0.475 20 0 HBADRL N=C(NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)SCCS(=O)(=O)[O-] ZINC001189933792 1071632754 /nfs/dbraw/zinc/63/27/54/1071632754.db2.gz MNPAWMYDSSNGHG-UHFFFAOYSA-N -3 0 412.423 -0.083 20 0 HBADRL COC(=O)[C@@H](Cc1cncn1C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941131 1071632631 /nfs/dbraw/zinc/63/26/31/1071632631.db2.gz AROAHBPREPFDAP-CYBMUJFWSA-N -2 0 411.392 -0.121 20 0 HBADRL COC(=O)[C@H](Cc1cncn1C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941132 1071632789 /nfs/dbraw/zinc/63/27/89/1071632789.db2.gz AROAHBPREPFDAP-ZDUSSCGKSA-N -2 0 411.392 -0.121 20 0 HBADRL O=C([O-])c1cc(C(=O)NCCOCCN2C(=O)C=CC2=O)cc(S(=O)(=O)[O-])c1 ZINC001189941957 1071632491 /nfs/dbraw/zinc/63/24/91/1071632491.db2.gz UYGKOINORIIFMB-UHFFFAOYSA-N -2 0 412.376 -0.697 20 0 HBADRL O=C([O-])c1cc(C(=O)NCCCN2CCS(=O)(=O)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189942293 1071632693 /nfs/dbraw/zinc/63/26/93/1071632693.db2.gz XQONUOOAQLQBCT-UHFFFAOYSA-N -2 0 420.465 -0.518 20 0 HBADRL O=[P@@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190689474 1071644144 /nfs/dbraw/zinc/64/41/44/1071644144.db2.gz IZBXPDXFQPIQOV-UHFFFAOYSA-N -2 0 403.317 -0.498 20 0 HBADRL C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1)OC[P@@](=O)([O-])O ZINC001190690065 1071644266 /nfs/dbraw/zinc/64/42/66/1071644266.db2.gz VGTXMJWSSJTQGY-MRVPVSSYSA-N -2 0 417.344 -0.110 20 0 HBADRL N=C(NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])SCCS(=O)(=O)[O-] ZINC001191044993 1071650340 /nfs/dbraw/zinc/65/03/40/1071650340.db2.gz FWXCYWQWZGBGNW-UHFFFAOYSA-N -2 0 417.874 -0.021 20 0 HBADRL COc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(Cl)c1[O-] ZINC001191129641 1071650963 /nfs/dbraw/zinc/65/09/63/1071650963.db2.gz RRBAJDFDBNQTKM-UHFFFAOYSA-N -2 0 405.776 -0.235 20 0 HBADRL O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1)NC1CC1 ZINC001191447836 1071654809 /nfs/dbraw/zinc/65/48/09/1071654809.db2.gz XJNLKBYYMBTIFV-IVZWLZJFSA-N -2 0 414.315 -0.132 20 0 HBADRL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nc(Br)ccc1[O-] ZINC001191734189 1071659827 /nfs/dbraw/zinc/65/98/27/1071659827.db2.gz QZSWVXTVPCSEPC-UHFFFAOYSA-N -2 0 421.189 -0.740 20 0 HBADRL COC(=O)c1ccc([O-])c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001192399781 1071668575 /nfs/dbraw/zinc/66/85/75/1071668575.db2.gz GUGALVIDJCMZCF-ZDUSSCGKSA-N -2 0 404.379 -0.166 20 0 HBADRL CCOc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C(=O)[O-] ZINC001192658038 1071670471 /nfs/dbraw/zinc/67/04/71/1071670471.db2.gz UHZRQNBRRQVBIC-CPCISQLKSA-N -2 0 408.410 -0.536 20 0 HBADRL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084318 1071676798 /nfs/dbraw/zinc/67/67/98/1071676798.db2.gz VPGOKSFPBGSLRX-UHFFFAOYSA-N -2 0 411.183 -0.196 20 0 HBADRL O=[P@@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193205223 1071679604 /nfs/dbraw/zinc/67/96/04/1071679604.db2.gz FJCMUIWITSBEPT-JTQLQIEISA-N -2 0 421.372 -0.101 20 0 HBADRL O=[P@@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193205224 1071679573 /nfs/dbraw/zinc/67/95/73/1071679573.db2.gz FJCMUIWITSBEPT-SNVBAGLBSA-N -2 0 421.372 -0.101 20 0 HBADRL Cn1ccnc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001193557598 1071688702 /nfs/dbraw/zinc/68/87/02/1071688702.db2.gz QWKSPURBLICFKZ-UHFFFAOYSA-N -2 0 417.344 -0.488 20 0 HBADRL C[C@H]1[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001194025834 1071695786 /nfs/dbraw/zinc/69/57/86/1071695786.db2.gz PEFHWXOOGYRXRF-IGJIYHIXSA-N -2 0 416.792 -0.142 20 0 HBADRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001194261023 1071700486 /nfs/dbraw/zinc/70/04/86/1071700486.db2.gz RCGVOUOLGWOOPV-UHFFFAOYSA-N -2 0 421.395 -0.403 20 0 HBADRL CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NCCOP(=O)([O-])[O-])CC1 ZINC001194647309 1071705525 /nfs/dbraw/zinc/70/55/25/1071705525.db2.gz HFOVURIHBZBBAH-UHFFFAOYSA-N -2 0 421.412 -0.319 20 0 HBADRL C[C@H]1[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001195245123 1071715737 /nfs/dbraw/zinc/71/57/37/1071715737.db2.gz CAESGUAIBWOVHA-IGJIYHIXSA-N -2 0 400.337 -0.657 20 0 HBADRL CCNC(=S)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001195309395 1071717018 /nfs/dbraw/zinc/71/70/18/1071717018.db2.gz WJRDEPBWPQUBFD-DJLDLDEBSA-N -2 0 418.372 -0.110 20 0 HBADRL CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001195938837 1071728649 /nfs/dbraw/zinc/72/86/49/1071728649.db2.gz FMDPVZILUMNESP-UHFFFAOYSA-N -2 0 423.344 -0.717 20 0 HBADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001195973589 1071729102 /nfs/dbraw/zinc/72/91/02/1071729102.db2.gz USHGTIZGKKREPQ-UHFFFAOYSA-N -3 0 403.412 -0.515 20 0 HBADRL COC(=O)c1cc(C(=O)NCCOP(=O)([O-])[O-])cc(N(C)S(C)(=O)=O)c1 ZINC001196110185 1071732914 /nfs/dbraw/zinc/73/29/14/1071732914.db2.gz ASVFGRYEQBQSNL-UHFFFAOYSA-N -2 0 410.341 -0.292 20 0 HBADRL CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001197946841 1071755827 /nfs/dbraw/zinc/75/58/27/1071755827.db2.gz VQEYDVVCAAIINZ-UHFFFAOYSA-N -2 0 415.383 -0.070 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001198569478 1071764916 /nfs/dbraw/zinc/76/49/16/1071764916.db2.gz BBMHLGVWGZQKLQ-DJLDLDEBSA-N -3 0 421.328 -0.531 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001198569519 1071764807 /nfs/dbraw/zinc/76/48/07/1071764807.db2.gz DHBQCBYWAGHEAQ-WOUKDFQISA-N -2 0 419.312 -0.514 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001198572598 1071764869 /nfs/dbraw/zinc/76/48/69/1071764869.db2.gz DHBQCBYWAGHEAQ-IQEPQDSISA-N -2 0 419.312 -0.514 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001198572600 1071764900 /nfs/dbraw/zinc/76/49/00/1071764900.db2.gz DHBQCBYWAGHEAQ-NNXMZFEESA-N -2 0 419.312 -0.514 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC001198579570 1071765482 /nfs/dbraw/zinc/76/54/82/1071765482.db2.gz XTHBHHXMKSRCMS-IQEPQDSISA-N -2 0 419.312 -0.514 20 0 HBADRL C=CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001198579571 1071765393 /nfs/dbraw/zinc/76/53/93/1071765393.db2.gz XTHBHHXMKSRCMS-NNXMZFEESA-N -2 0 419.312 -0.514 20 0 HBADRL COC(=O)CCCS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001201912640 1071797760 /nfs/dbraw/zinc/79/77/60/1071797760.db2.gz HPSLAYACVHYPFD-UHFFFAOYSA-N -2 0 417.439 -0.125 20 0 HBADRL CCNC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001202538496 1071883817 /nfs/dbraw/zinc/88/38/17/1071883817.db2.gz NODVDPDUZFCRLX-DJLDLDEBSA-N -2 0 402.304 -0.275 20 0 HBADRL CCC(C)=Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC001210793245 1068379908 /nfs/dbraw/zinc/37/99/08/1068379908.db2.gz UOSQGBPWBFZGCW-GPDSWYDZSA-N -2 0 401.316 -0.110 20 0 HBADRL