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([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCCCO1 ZINC001185542480 963988942 /nfs/dbraw/zinc/98/89/42/963988942.db2.gz UPRGHFNMJBFUBW-SSDOTTSWSA-N -2 3 361.306 1.134 20 10 FDCDHL O=C(C[N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc([O-])c(O)c1 ZINC001190411516 967826584 /nfs/dbraw/zinc/82/65/84/967826584.db2.gz WSPAILSCQJJCCK-UHFFFAOYSA-N -2 3 361.297 1.676 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001599761163 992123681 /nfs/dbraw/zinc/12/36/81/992123681.db2.gz PRSHFJURGBIWMJ-ZJUUUORDSA-N -2 3 356.400 1.137 20 10 FDCDHL C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC001593773141 996470608 /nfs/dbraw/zinc/47/06/08/996470608.db2.gz RHIBSZSSPNTIJY-HNNXBMFYSA-N -2 3 356.400 1.091 20 10 FDCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598863199 996692473 /nfs/dbraw/zinc/69/24/73/996692473.db2.gz TWKAGLDCLNHFOO-MFKMUULPSA-N -2 3 363.744 1.987 20 10 FDCDHL CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000766048766 882143397 /nfs/dbraw/zinc/14/33/97/882143397.db2.gz VEDPIQTVIGTHLZ-UHFFFAOYSA-N -2 3 360.347 1.279 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000770860101 930289027 /nfs/dbraw/zinc/28/90/27/930289027.db2.gz AUVGJEGPZFGBQM-UHFFFAOYSA-N -2 3 367.339 1.630 20 10 FDCDHL CN(C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C(C)(C)C ZINC001185549134 963972757 /nfs/dbraw/zinc/97/27/57/963972757.db2.gz SSEFOAADVGUTSH-ZETCQYMHSA-N -2 3 361.350 1.837 20 10 FDCDHL CCOC(=O)c1c[n-]n(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1=N ZINC000365926725 988232824 /nfs/dbraw/zinc/23/28/24/988232824.db2.gz MJRCIYQIWYGUQL-UHFFFAOYSA-N -2 3 374.397 1.361 20 10 FDCDHL COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])C2)cc1 ZINC001599585579 993609379 /nfs/dbraw/zinc/60/93/79/993609379.db2.gz FAAWQVHUVMZBBR-NSHDSACASA-N -2 3 366.395 1.544 20 10 FDCDHL O=C([O-])CN(CC(=O)NCc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000739783663 600145031 /nfs/dbraw/zinc/14/50/31/600145031.db2.gz HMTYJMATAARZTH-UHFFFAOYSA-N -2 3 352.774 1.842 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000823387518 606392675 /nfs/dbraw/zinc/39/26/75/606392675.db2.gz NPSKDEUMOURVJY-CLTKARDFSA-N -2 3 353.410 1.214 20 10 FDCDHL O=C(Nc1ccc[nH]1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542155 963989326 /nfs/dbraw/zinc/98/93/26/963989326.db2.gz POXVRAMOYXBUKX-LURJTMIESA-N -2 3 356.290 1.547 20 10 FDCDHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1 ZINC000775286537 967202214 /nfs/dbraw/zinc/20/22/14/967202214.db2.gz WCBCDWJCWGCUTK-UHFFFAOYSA-N -3 3 368.323 1.813 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1[O-] ZINC000790407273 933525096 /nfs/dbraw/zinc/52/50/96/933525096.db2.gz KGLPVJSYMSVKCK-UHFFFAOYSA-N -2 3 356.425 1.410 20 10 FDCDHL O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc21 ZINC000776748719 968990620 /nfs/dbraw/zinc/99/06/20/968990620.db2.gz CZQCLBCRLPXTHR-UHFFFAOYSA-N -2 3 352.755 1.730 20 10 FDCDHL CC(C)CN(CCC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000833487798 604705008 /nfs/dbraw/zinc/70/50/08/604705008.db2.gz IREFNRKXYDRTJH-UHFFFAOYSA-N -2 3 358.416 1.337 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000833737197 604720492 /nfs/dbraw/zinc/72/04/92/604720492.db2.gz DKUSPIDOZNMIHI-UHFFFAOYSA-N -2 3 370.427 1.671 20 10 FDCDHL CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)cc1 ZINC000790403736 933543473 /nfs/dbraw/zinc/54/34/73/933543473.db2.gz AJRGIHOWBMUOMK-UHFFFAOYSA-N -2 3 370.452 1.664 20 10 FDCDHL O=C(Cn1nn[n-]c1=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177744004 963954952 /nfs/dbraw/zinc/95/49/52/963954952.db2.gz PSAHLASDACOJCP-UHFFFAOYSA-N -2 3 350.791 1.185 20 10 FDCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C[C@@H]2C[C@@H]2C1 ZINC001185549599 963972726 /nfs/dbraw/zinc/97/27/26/963972726.db2.gz WHQFBCMVWJLWOK-GJMOJQLCSA-N -2 3 357.318 1.058 20 10 FDCDHL CC(C)[C@@H](C)NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542408 963989367 /nfs/dbraw/zinc/98/93/67/963989367.db2.gz RZUKFDMJGOZXLB-SFYZADRCSA-N -2 3 361.350 1.741 20 10 FDCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1F ZINC000768506320 978739203 /nfs/dbraw/zinc/73/92/03/978739203.db2.gz ZSLFDUCONJRDEQ-UHFFFAOYSA-N -3 3 355.299 1.729 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000833738169 605008680 /nfs/dbraw/zinc/00/86/80/605008680.db2.gz QMHDWJTUZAIWKX-LLVKDONJSA-N -2 3 356.400 1.233 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1[O-] ZINC000790407779 933524510 /nfs/dbraw/zinc/52/45/10/933524510.db2.gz QOYBJKFHTGZXEP-UHFFFAOYSA-N -2 3 356.425 1.410 20 10 FDCDHL O=C(Nc1ccnnc1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541937 963989147 /nfs/dbraw/zinc/98/91/47/963989147.db2.gz MVIHHFAIVZIKMZ-SSDOTTSWSA-N -2 3 369.289 1.009 20 10 FDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc(N2CCOCC2)nc1 ZINC001188518218 966352121 /nfs/dbraw/zinc/35/21/21/966352121.db2.gz FKBFNLXQSOUSKM-UHFFFAOYSA-N -2 3 371.365 1.703 20 10 FDCDHL COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC001599586593 993621641 /nfs/dbraw/zinc/62/16/41/993621641.db2.gz TXHHUFSHGZNIGI-LLVKDONJSA-N -2 3 366.395 1.544 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000738163449 600104972 /nfs/dbraw/zinc/10/49/72/600104972.db2.gz DTJDNPAUPZVEBO-UHFFFAOYSA-N -2 3 356.400 1.137 20 10 FDCDHL CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390325 600368095 /nfs/dbraw/zinc/36/80/95/600368095.db2.gz NNHXLTIGDFMUMR-CYBMUJFWSA-N -2 3 355.412 1.958 20 10 FDCDHL CCCC[C@@H](CNC(=O)[O-])NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000826801545 604017246 /nfs/dbraw/zinc/01/72/46/604017246.db2.gz UQIDFKJSWLVDGH-NSHDSACASA-N -2 3 373.431 1.320 20 10 FDCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000392876608 605523059 /nfs/dbraw/zinc/52/30/59/605523059.db2.gz DRSOSQWAUMKGSJ-UHFFFAOYSA-N -2 3 364.335 1.222 20 10 FDCDHL CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916611167 881827087 /nfs/dbraw/zinc/82/70/87/881827087.db2.gz BXVFBTWIQXLFOY-UHFFFAOYSA-N -2 3 365.363 1.509 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(O)c2O)c(F)cc1F ZINC001195257152 970797153 /nfs/dbraw/zinc/79/71/53/970797153.db2.gz ADINODJMRDQJEQ-UHFFFAOYSA-N -2 3 359.306 1.553 20 10 FDCDHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889352 952558696 /nfs/dbraw/zinc/55/86/96/952558696.db2.gz HIPWIFNDNDMSGS-UHFFFAOYSA-N -2 3 361.365 1.276 20 10 FDCDHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889352 952558701 /nfs/dbraw/zinc/55/87/01/952558701.db2.gz HIPWIFNDNDMSGS-UHFFFAOYSA-N -2 3 361.365 1.276 20 10 FDCDHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1 ZINC001594898592 954594047 /nfs/dbraw/zinc/59/40/47/954594047.db2.gz NROKAQYWQCFROC-NSHDSACASA-N -2 3 354.353 1.568 20 10 FDCDHL O=C(N[C@@H]1CC12CCC2)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557405 963976441 /nfs/dbraw/zinc/97/64/41/963976441.db2.gz CHZCTFLUJHYQMI-WRWORJQWSA-N -2 3 371.345 1.639 20 10 FDCDHL O=C(N[C@@H]1CC=CCC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558389 963976668 /nfs/dbraw/zinc/97/66/68/963976668.db2.gz KIFFSMNPRIXFQH-RKDXNWHRSA-N -2 3 371.345 1.805 20 10 FDCDHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000775289680 967175630 /nfs/dbraw/zinc/17/56/30/967175630.db2.gz ZGYCXXAZUJCOIN-UHFFFAOYSA-N -2 3 363.351 1.620 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(N)=O ZINC000775286300 967203681 /nfs/dbraw/zinc/20/36/81/967203681.db2.gz MVXPSPWZZUIZPZ-UHFFFAOYSA-N -2 3 367.339 1.209 20 10 FDCDHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)c([O-])c(Cl)c2)c1 ZINC001193624718 969774020 /nfs/dbraw/zinc/77/40/20/969774020.db2.gz KMLWCDQEWOGEJB-UHFFFAOYSA-N -2 3 372.786 1.617 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000820894250 604705720 /nfs/dbraw/zinc/70/57/20/604705720.db2.gz KCBAHMABFVGWNB-UHFFFAOYSA-N -2 3 356.400 1.281 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000833738241 604733499 /nfs/dbraw/zinc/73/34/99/604733499.db2.gz VFSVQYIXAOKJSE-UHFFFAOYSA-N -2 3 356.400 1.233 20 10 FDCDHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000327313024 676591366 /nfs/dbraw/zinc/59/13/66/676591366.db2.gz RDIRSOPQHMPBOM-UHFFFAOYSA-N -2 3 367.379 1.916 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001594171377 959002860 /nfs/dbraw/zinc/00/28/60/959002860.db2.gz MWSPLFZRASZHEZ-NSHDSACASA-N -2 3 370.427 1.481 20 10 FDCDHL O=C(N[C@H]1CC12CCC2)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557403 963976617 /nfs/dbraw/zinc/97/66/17/963976617.db2.gz CHZCTFLUJHYQMI-HQJQHLMTSA-N -2 3 371.345 1.639 20 10 FDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2C(=O)OC)c([N+](=O)[O-])n1 ZINC000775287230 967206056 /nfs/dbraw/zinc/20/60/56/967206056.db2.gz WFZOGGTUEDKDID-UHFFFAOYSA-N -2 3 370.343 1.104 20 10 FDCDHL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC001590236693 989622565 /nfs/dbraw/zinc/62/25/65/989622565.db2.gz PDLZCHOYBYWFLD-NSHDSACASA-N -2 3 356.350 1.516 20 10 FDCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598863200 996692416 /nfs/dbraw/zinc/69/24/16/996692416.db2.gz TWKAGLDCLNHFOO-ZWNOBZJWSA-N -2 3 363.744 1.987 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833737152 604708286 /nfs/dbraw/zinc/70/82/86/604708286.db2.gz BGVNFOZCYPJRHC-CQSZACIVSA-N -2 3 364.379 1.319 20 10 FDCDHL NC(=O)[C@@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000728197554 769979778 /nfs/dbraw/zinc/97/97/78/769979778.db2.gz DWDUFSGWEXULGH-INIZCTEOSA-N -2 3 356.378 1.015 20 10 FDCDHL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1c([O-])cccc1F ZINC000921452305 888015795 /nfs/dbraw/zinc/01/57/95/888015795.db2.gz LBOJJPHOHBNFQW-LLVKDONJSA-N -2 3 373.324 1.835 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(O)cc2O)c(F)cc1F ZINC001195253732 970794836 /nfs/dbraw/zinc/79/48/36/970794836.db2.gz BMKWDUNXAUQHKZ-UHFFFAOYSA-N -2 3 359.306 1.553 20 10 FDCDHL O=C(N[C@H]1CC=CCC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558386 963976325 /nfs/dbraw/zinc/97/63/25/963976325.db2.gz KIFFSMNPRIXFQH-DTWKUNHWSA-N -2 3 371.345 1.805 20 10 FDCDHL O=C(Nc1ncccn1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541298 963987803 /nfs/dbraw/zinc/98/78/03/963987803.db2.gz IUGOCHHXVPBYGB-ZCFIWIBFSA-N -2 3 369.289 1.009 20 10 FDCDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1[O-] ZINC000775285947 967149332 /nfs/dbraw/zinc/14/93/32/967149332.db2.gz GABWRWHVRXEYAQ-UHFFFAOYSA-N -2 3 362.327 1.077 20 10 FDCDHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000775285746 967151621 /nfs/dbraw/zinc/15/16/21/967151621.db2.gz AINAUOPLHCOWJQ-UHFFFAOYSA-N -2 3 366.351 1.817 20 10 FDCDHL CC[C@H](C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC001594945440 982632733 /nfs/dbraw/zinc/63/27/33/982632733.db2.gz PISUSHZMWMPIER-CABZTGNLSA-N -2 3 358.416 1.383 20 10 FDCDHL COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC001599585200 993603473 /nfs/dbraw/zinc/60/34/73/993603473.db2.gz AXEVCKYDUKZIQL-GFCCVEGCSA-N -2 3 366.395 1.544 20 10 FDCDHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593348168 994963645 /nfs/dbraw/zinc/96/36/45/994963645.db2.gz YLYDZWDSTLHJFP-VIFPVBQESA-N -2 3 355.441 1.947 20 10 FDCDHL CN(C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C(C)(C)C ZINC001185549132 963972508 /nfs/dbraw/zinc/97/25/08/963972508.db2.gz SSEFOAADVGUTSH-SSDOTTSWSA-N -2 3 361.350 1.837 20 10 FDCDHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1O ZINC001185906412 964187021 /nfs/dbraw/zinc/18/70/21/964187021.db2.gz SXSQHYAPSXRKEE-UHFFFAOYSA-N -2 3 365.363 1.986 20 10 FDCDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1F ZINC000776434463 978748842 /nfs/dbraw/zinc/74/88/42/978748842.db2.gz GUFNKMRZUFVAIY-UHFFFAOYSA-N -2 3 368.342 1.989 20 10 FDCDHL CC(=O)c1cc(F)cc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c1[O-] ZINC000851707930 979578140 /nfs/dbraw/zinc/57/81/40/979578140.db2.gz NNFDUUWUFOAEEZ-UHFFFAOYSA-N -2 3 362.361 1.861 20 10 FDCDHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2C(=O)[O-])c1 ZINC001591526015 992702385 /nfs/dbraw/zinc/70/23/85/992702385.db2.gz RUUJMYRNLDKIGY-UHFFFAOYSA-N -3 3 357.363 1.883 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000818648535 597114905 /nfs/dbraw/zinc/11/49/05/597114905.db2.gz WDWXERRIJZQQCR-SNVBAGLBSA-N -2 3 356.400 1.091 20 10 FDCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013463970 670622328 /nfs/dbraw/zinc/62/23/28/670622328.db2.gz MYMXOKBDSVAZNG-UHFFFAOYSA-N -2 3 351.336 1.662 20 10 FDCDHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000326463792 676583405 /nfs/dbraw/zinc/58/34/05/676583405.db2.gz GZELXLNDYGKOHZ-UHFFFAOYSA-N -2 3 367.379 1.916 20 10 FDCDHL COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001212016358 836292638 /nfs/dbraw/zinc/29/26/38/836292638.db2.gz MEORUHKXLVWQHT-UHFFFAOYSA-N -2 3 358.322 1.840 20 10 FDCDHL CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(O)c1[O-] ZINC001598645858 994371538 /nfs/dbraw/zinc/37/15/38/994371538.db2.gz CIAHJSQLCFOCIK-UHFFFAOYSA-N -2 3 360.322 1.173 20 10 FDCDHL Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc2)[n-]1 ZINC001148341297 952701150 /nfs/dbraw/zinc/70/11/50/952701150.db2.gz XGABCNZUOUJMST-UHFFFAOYSA-N -2 3 367.361 1.823 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594171301 959001286 /nfs/dbraw/zinc/00/12/86/959001286.db2.gz IDIMAJPGBPYOMQ-GFCCVEGCSA-N -2 3 370.427 1.623 20 10 FDCDHL O=C(NCc1ccc[nH]1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553672 963974551 /nfs/dbraw/zinc/97/45/51/963974551.db2.gz RPLJRYSOQUXVTB-QMMMGPOBSA-N -2 3 370.317 1.224 20 10 FDCDHL O=C(NCC(F)(F)F)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542153 963988893 /nfs/dbraw/zinc/98/88/93/963988893.db2.gz POUUUBPFHIKSTH-BYPYZUCNSA-N -2 3 373.239 1.258 20 10 FDCDHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000775286318 967202919 /nfs/dbraw/zinc/20/29/19/967202919.db2.gz ODMVTCNVJSWVTI-UHFFFAOYSA-N -4 3 354.296 1.505 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC001599761057 992122571 /nfs/dbraw/zinc/12/25/71/992122571.db2.gz NLVWVCNZMALPRK-DRCTWCGVSA-N -2 3 368.411 1.089 20 10 FDCDHL CC(C)(C)NC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736262447 600143463 /nfs/dbraw/zinc/14/34/63/600143463.db2.gz HMVFFXCHTKISDS-UHFFFAOYSA-N -2 3 371.821 1.557 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1[O-] ZINC000790408423 933525742 /nfs/dbraw/zinc/52/57/42/933525742.db2.gz YTAWUGVQJKBHBA-UHFFFAOYSA-N -2 3 374.415 1.549 20 10 FDCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C[C@@H]2C[C@@H]2C1 ZINC001185549601 963972479 /nfs/dbraw/zinc/97/24/79/963972479.db2.gz WHQFBCMVWJLWOK-RNJXMRFFSA-N -2 3 357.318 1.058 20 10 FDCDHL CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542406 963989266 /nfs/dbraw/zinc/98/92/66/963989266.db2.gz RZUKFDMJGOZXLB-HTQZYQBOSA-N -2 3 361.350 1.741 20 10 FDCDHL NC(=O)C[C@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000863327078 972809182 /nfs/dbraw/zinc/80/91/82/972809182.db2.gz VSDLGLAHEVOQNC-AWEZNQCLSA-N -2 3 370.405 1.405 20 10 FDCDHL CCCCn1nnnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737008667 600142973 /nfs/dbraw/zinc/14/29/73/600142973.db2.gz LHLLJRCSZDQFNX-UHFFFAOYSA-N -2 3 353.810 1.919 20 10 FDCDHL Cc1cc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n(C)n1 ZINC000738428273 600506277 /nfs/dbraw/zinc/50/62/77/600506277.db2.gz PVDPMCSMMPWODY-UHFFFAOYSA-N -2 3 366.805 1.613 20 10 FDCDHL CCCC[C@H](CNC(=O)[O-])NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000826801544 604017191 /nfs/dbraw/zinc/01/71/91/604017191.db2.gz UQIDFKJSWLVDGH-LLVKDONJSA-N -2 3 373.431 1.320 20 10 FDCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493150 609156673 /nfs/dbraw/zinc/15/66/73/609156673.db2.gz VWAZCWKXZLRJSP-UHFFFAOYSA-N -3 3 352.763 1.422 20 10 FDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O ZINC000013464086 670622156 /nfs/dbraw/zinc/62/21/56/670622156.db2.gz RIXJTKUYZIVUNV-UHFFFAOYSA-N -2 3 351.336 1.662 20 10 FDCDHL Cc1cc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)ccc1O ZINC000771219470 930543452 /nfs/dbraw/zinc/54/34/52/930543452.db2.gz HFYMVFSGIUZVBV-UHFFFAOYSA-N -2 3 365.363 1.971 20 10 FDCDHL O=C([O-])[C@H]1CC(C(=O)NCc2c([O-])cccc2F)=NN1c1ccccc1 ZINC001594766226 953533150 /nfs/dbraw/zinc/53/31/50/953533150.db2.gz MNFGRZGBGRPLMR-OAHLLOKOSA-N -2 3 357.341 1.867 20 10 FDCDHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)C1 ZINC001594898779 954594602 /nfs/dbraw/zinc/59/46/02/954594602.db2.gz PVKDKSYIJJOSOL-NSHDSACASA-N -2 3 354.353 1.568 20 10 FDCDHL CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001180419674 965322709 /nfs/dbraw/zinc/32/27/09/965322709.db2.gz CCZZRONCRKGFME-UHFFFAOYSA-N -2 3 355.803 1.742 20 10 FDCDHL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC001590275054 989690305 /nfs/dbraw/zinc/69/03/05/989690305.db2.gz ZPEGEPBAXOHSSL-GFCCVEGCSA-N -2 3 370.377 1.906 20 10 FDCDHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000811670729 941149861 /nfs/dbraw/zinc/14/98/61/941149861.db2.gz AKFRGKNHBBUYDN-UHFFFAOYSA-N -2 3 365.363 1.607 20 10 FDCDHL CC1CC(N(C)C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546937 963991616 /nfs/dbraw/zinc/99/16/16/963991616.db2.gz FXWIDUZXUNWBLP-AMDVSUOASA-N -2 3 373.361 1.837 20 10 FDCDHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1)OCO2 ZINC000794867573 974482983 /nfs/dbraw/zinc/48/29/83/974482983.db2.gz ZUQLPMXFXUNESL-UHFFFAOYSA-N -2 3 351.336 1.928 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482957 608881634 /nfs/dbraw/zinc/88/16/34/608881634.db2.gz WDRVCGBRPILIHJ-LCYFTJDESA-N -2 3 350.313 1.467 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826482957 608881636 /nfs/dbraw/zinc/88/16/36/608881636.db2.gz WDRVCGBRPILIHJ-LCYFTJDESA-N -2 3 350.313 1.467 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1[O-] ZINC000790407569 933524402 /nfs/dbraw/zinc/52/44/02/933524402.db2.gz NWVULBMNLMLSOW-UHFFFAOYSA-N -2 3 360.388 1.240 20 10 FDCDHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000811697580 941153353 /nfs/dbraw/zinc/15/33/53/941153353.db2.gz UPSRRABECUSSCN-UHFFFAOYSA-N -2 3 366.351 1.817 20 10 FDCDHL O=C(NCC(F)(F)F)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542154 963988798 /nfs/dbraw/zinc/98/87/98/963988798.db2.gz POUUUBPFHIKSTH-SCSAIBSYSA-N -2 3 373.239 1.258 20 10 FDCDHL NC(=O)[C@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000728197555 769980020 /nfs/dbraw/zinc/98/00/20/769980020.db2.gz DWDUFSGWEXULGH-MRXNPFEDSA-N -2 3 356.378 1.015 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc2c1OCCO2 ZINC000919954072 886449937 /nfs/dbraw/zinc/44/99/37/886449937.db2.gz CFOJITFSTWDXJX-UHFFFAOYSA-N -2 3 351.336 1.662 20 10 FDCDHL O=C(Nc1ccc[nH]1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542157 963989029 /nfs/dbraw/zinc/98/90/29/963989029.db2.gz POXVRAMOYXBUKX-ZCFIWIBFSA-N -2 3 356.290 1.547 20 10 FDCDHL CC(F)(F)CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542925 963990508 /nfs/dbraw/zinc/99/05/08/963990508.db2.gz ZXQLYYKMYBFFQU-YFKPBYRVSA-N -2 3 369.276 1.351 20 10 FDCDHL COc1cc(Br)cc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])c1[O-] ZINC001599346184 998011077 /nfs/dbraw/zinc/01/10/77/998011077.db2.gz IXGOCWVTCGXBAA-UHFFFAOYSA-N -2 3 362.176 1.525 20 10 FDCDHL COc1cc(Br)cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1[O-] ZINC001599346184 998011084 /nfs/dbraw/zinc/01/10/84/998011084.db2.gz IXGOCWVTCGXBAA-UHFFFAOYSA-N -2 3 362.176 1.525 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000740000671 603110414 /nfs/dbraw/zinc/11/04/14/603110414.db2.gz JHBYPXXFMFWVDL-UHFFFAOYSA-N -2 3 371.415 1.072 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000820894119 604707466 /nfs/dbraw/zinc/70/74/66/604707466.db2.gz BGVNFOZCYPJRHC-AWEZNQCLSA-N -2 3 364.379 1.319 20 10 FDCDHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])ccc21 ZINC000326543207 676584039 /nfs/dbraw/zinc/58/40/39/676584039.db2.gz ZJJPEBITOMCATC-UHFFFAOYSA-N -2 3 362.363 1.410 20 10 FDCDHL O=c1ccc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000775289541 967177168 /nfs/dbraw/zinc/17/71/68/967177168.db2.gz VTITTZLCBNMPQK-UHFFFAOYSA-N -2 3 361.335 1.943 20 10 FDCDHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-])OCO2 ZINC000794906363 978827292 /nfs/dbraw/zinc/82/72/92/978827292.db2.gz DFORIXYACBBICS-UHFFFAOYSA-N -2 3 351.336 1.928 20 10 FDCDHL C[C@@H]1CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000736804682 600144019 /nfs/dbraw/zinc/14/40/19/600144019.db2.gz GQOHSWSEKBWYKM-LLVKDONJSA-N -2 3 356.806 1.180 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738164763 600318327 /nfs/dbraw/zinc/31/83/27/600318327.db2.gz YOCJGVLXPKSUNP-LBPRGKRZSA-N -2 3 368.411 1.091 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(O)c(O)c2)c(F)cc1F ZINC001195246631 970789583 /nfs/dbraw/zinc/78/95/83/970789583.db2.gz JGTDSKVKVUKRGN-UHFFFAOYSA-N -2 3 373.333 1.595 20 10 FDCDHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC001594766070 953531918 /nfs/dbraw/zinc/53/19/18/953531918.db2.gz ICUQBGJQMLUIFJ-VVHFOWEKSA-N -2 3 352.362 1.743 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000775286282 967203462 /nfs/dbraw/zinc/20/34/62/967203462.db2.gz MAIBMUFDSQNLFZ-UHFFFAOYSA-N -3 3 356.287 1.939 20 10 FDCDHL COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000775287492 967204570 /nfs/dbraw/zinc/20/45/70/967204570.db2.gz NIKNQXHDOWWHKE-UHFFFAOYSA-N -2 3 353.352 1.694 20 10 FDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1C ZINC000776435218 977516469 /nfs/dbraw/zinc/51/64/69/977516469.db2.gz YXYYPYIFTITOLH-UHFFFAOYSA-N -2 3 365.363 1.986 20 10 FDCDHL COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3occc3C(=O)[O-])C2)cc1 ZINC001599585578 993609231 /nfs/dbraw/zinc/60/92/31/993609231.db2.gz FAAWQVHUVMZBBR-LLVKDONJSA-N -2 3 366.395 1.544 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000818648196 597237510 /nfs/dbraw/zinc/23/75/10/597237510.db2.gz IBLKRFBAVPNBCH-UHFFFAOYSA-N -2 3 364.379 1.392 20 10 FDCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000740176483 599773799 /nfs/dbraw/zinc/77/37/99/599773799.db2.gz HLTZFQQAEJKHLL-UHFFFAOYSA-N -2 3 366.395 1.293 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000833737867 605860281 /nfs/dbraw/zinc/86/02/81/605860281.db2.gz LTVFHPLCHMZTJW-LBPRGKRZSA-N -2 3 356.400 1.233 20 10 FDCDHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2nonc21 ZINC000823589257 607001225 /nfs/dbraw/zinc/00/12/25/607001225.db2.gz VVSSCALQEJLNEX-UHFFFAOYSA-N -2 3 361.318 1.343 20 10 FDCDHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2nonc21 ZINC000823589257 607001227 /nfs/dbraw/zinc/00/12/27/607001227.db2.gz VVSSCALQEJLNEX-UHFFFAOYSA-N -2 3 361.318 1.343 20 10 FDCDHL O=C(Nc1nnn[n-]1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000769869750 929737431 /nfs/dbraw/zinc/73/74/31/929737431.db2.gz CLYMJDJNDVASAT-UHFFFAOYSA-N -3 3 366.384 1.020 20 10 FDCDHL O=C(Nc1nn[n-]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000769869750 929737437 /nfs/dbraw/zinc/73/74/37/929737437.db2.gz CLYMJDJNDVASAT-UHFFFAOYSA-N -3 3 366.384 1.020 20 10 FDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1[O-] ZINC000846283917 950848828 /nfs/dbraw/zinc/84/88/28/950848828.db2.gz GXKPVVDVONHFHQ-ZDUSSCGKSA-N -2 3 362.361 1.861 20 10 FDCDHL Cc1cc(C)c(NC(=O)c2cc(O)c([O-])c(O)c2)c(S(=O)(=O)[O-])c1 ZINC001148586044 952759361 /nfs/dbraw/zinc/75/93/61/952759361.db2.gz GCEIKOPWPNAOOO-UHFFFAOYSA-N -2 3 353.352 1.919 20 10 FDCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598863198 996692283 /nfs/dbraw/zinc/69/22/83/996692283.db2.gz TWKAGLDCLNHFOO-GXFFZTMASA-N -2 3 363.744 1.987 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000818648530 597114967 /nfs/dbraw/zinc/11/49/67/597114967.db2.gz WDWXERRIJZQQCR-JTQLQIEISA-N -2 3 356.400 1.091 20 10 FDCDHL O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342142 598740716 /nfs/dbraw/zinc/74/07/16/598740716.db2.gz MKIJHGNCFDXKHE-UHFFFAOYSA-N -2 3 371.426 1.663 20 10 FDCDHL O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342142 598740718 /nfs/dbraw/zinc/74/07/18/598740718.db2.gz MKIJHGNCFDXKHE-UHFFFAOYSA-N -2 3 371.426 1.663 20 10 FDCDHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc21 ZINC000326384548 676582896 /nfs/dbraw/zinc/58/28/96/676582896.db2.gz JMFKYCJVUOAVOA-QMMMGPOBSA-N -2 3 362.363 1.947 20 10 FDCDHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786767150 932023429 /nfs/dbraw/zinc/02/34/29/932023429.db2.gz ULHSZCPDCYREDT-LBPRGKRZSA-N -2 3 363.288 1.527 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)ccc1[O-] ZINC000790408300 933525801 /nfs/dbraw/zinc/52/58/01/933525801.db2.gz VRGOIWXKIWHCQP-UHFFFAOYSA-N -2 3 374.415 1.549 20 10 FDCDHL CC(=O)NCCN(Cc1c([O-])cccc1Br)[C@H](C)C(=O)[O-] ZINC001602758399 971478031 /nfs/dbraw/zinc/47/80/31/971478031.db2.gz GZUDPXTXSUTPHX-SECBINFHSA-N -2 3 359.220 1.566 20 10 FDCDHL Cc1c([N-]S(=O)(=O)c2cccc3nonc32)cccc1-c1nn[n-]n1 ZINC000822129575 607255324 /nfs/dbraw/zinc/25/53/24/607255324.db2.gz MAPNYWFOCCGZJN-UHFFFAOYSA-N -2 3 357.355 1.512 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1OC ZINC000013464052 605523430 /nfs/dbraw/zinc/52/34/30/605523430.db2.gz IHHSORXTGSDJET-UHFFFAOYSA-N -2 3 353.352 1.908 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000833734462 605525199 /nfs/dbraw/zinc/52/51/99/605525199.db2.gz GDYSAUDIEXFSJD-UHFFFAOYSA-N -3 3 367.335 1.598 20 10 FDCDHL O=C([N-]C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1)C(F)(F)F ZINC000296116880 676415060 /nfs/dbraw/zinc/41/50/60/676415060.db2.gz QRFJCPKYQSUWAJ-MRVPVSSYSA-N -2 3 364.295 1.768 20 10 FDCDHL COc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1[N-]S(C)(=O)=O ZINC000790070202 933331607 /nfs/dbraw/zinc/33/16/07/933331607.db2.gz KQPIMNDJUICAMI-UHFFFAOYSA-N -2 3 370.358 1.869 20 10 FDCDHL O=C(Nc1ccnnc1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541938 963989250 /nfs/dbraw/zinc/98/92/50/963989250.db2.gz MVIHHFAIVZIKMZ-ZETCQYMHSA-N -2 3 369.289 1.009 20 10 FDCDHL CN(CC(F)(F)F)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737409612 600313832 /nfs/dbraw/zinc/31/38/32/600313832.db2.gz VGWMDPCIAPNOQX-UHFFFAOYSA-N -2 3 368.739 1.953 20 10 FDCDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1-c1nnn[n-]1 ZINC000826500369 609156645 /nfs/dbraw/zinc/15/66/45/609156645.db2.gz VZGUPLVJZYMRTJ-UHFFFAOYSA-N -2 3 362.327 1.281 20 10 FDCDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000826500369 609156646 /nfs/dbraw/zinc/15/66/46/609156646.db2.gz VZGUPLVJZYMRTJ-UHFFFAOYSA-N -2 3 362.327 1.281 20 10 FDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1C(N)=O ZINC000324738809 676571593 /nfs/dbraw/zinc/57/15/93/676571593.db2.gz ZLVYLUSADMOEDQ-UHFFFAOYSA-N -2 3 350.352 1.299 20 10 FDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000740700713 925425903 /nfs/dbraw/zinc/42/59/03/925425903.db2.gz BUQZDQOSZVFXKU-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000775285997 967149033 /nfs/dbraw/zinc/14/90/33/967149033.db2.gz IOODDJJNQQESII-UHFFFAOYSA-N -2 3 368.323 1.593 20 10 FDCDHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1O ZINC001192725784 969271787 /nfs/dbraw/zinc/27/17/87/969271787.db2.gz CUQCAZIMWHFDCJ-UHFFFAOYSA-N -2 3 365.363 1.859 20 10 FDCDHL CN(C)c1nc(NC(=O)c2cc(O)c([O-])c(Cl)c2)c(N=O)c(=O)[n-]1 ZINC001193605926 969790216 /nfs/dbraw/zinc/79/02/16/969790216.db2.gz NKOSGQHFUKXFSL-UHFFFAOYSA-N -2 3 353.722 1.963 20 10 FDCDHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)C1 ZINC001605976524 972999687 /nfs/dbraw/zinc/99/96/87/972999687.db2.gz BQENNPHLRDQSIJ-NSHDSACASA-N -2 3 354.353 1.568 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001599760497 992115241 /nfs/dbraw/zinc/11/52/41/992115241.db2.gz IOMXDTFOAYRYNU-YPMHNXCESA-N -2 3 370.427 1.527 20 10 FDCDHL Cc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([O-])c1O ZINC000291825398 537681448 /nfs/dbraw/zinc/68/14/48/537681448.db2.gz FJKVMMVMAHRHIF-SNVBAGLBSA-N -2 3 360.332 1.937 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000833738170 605008930 /nfs/dbraw/zinc/00/89/30/605008930.db2.gz QMHDWJTUZAIWKX-NSHDSACASA-N -2 3 356.400 1.233 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000013464150 670622171 /nfs/dbraw/zinc/62/21/71/670622171.db2.gz SVTRPRHAPBMIOO-UHFFFAOYSA-N -2 3 353.352 1.908 20 10 FDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1O ZINC001598955262 998229113 /nfs/dbraw/zinc/22/91/13/998229113.db2.gz PNHCRASXWDMICM-UHFFFAOYSA-N -2 3 367.335 1.383 20 10 FDCDHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1O ZINC000826271107 609156391 /nfs/dbraw/zinc/15/63/91/609156391.db2.gz CMOVQHHBVPLBCQ-UHFFFAOYSA-N -2 3 367.337 1.960 20 10 FDCDHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1O ZINC000826271107 609156394 /nfs/dbraw/zinc/15/63/94/609156394.db2.gz CMOVQHHBVPLBCQ-UHFFFAOYSA-N -2 3 367.337 1.960 20 10 FDCDHL CC1CC(N(C)C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546938 963991292 /nfs/dbraw/zinc/99/12/92/963991292.db2.gz FXWIDUZXUNWBLP-HACHORDNSA-N -2 3 373.361 1.837 20 10 FDCDHL O=C(CNC(=O)c1nc(Br)ccc1[O-])c1ccc([O-])c(O)c1 ZINC001191748710 968755771 /nfs/dbraw/zinc/75/57/71/968755771.db2.gz IIBVOXUIFAKAHC-UHFFFAOYSA-N -2 3 367.155 1.574 20 10 FDCDHL NC(=O)C[C@@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000863327079 972809754 /nfs/dbraw/zinc/80/97/54/972809754.db2.gz VSDLGLAHEVOQNC-CQSZACIVSA-N -2 3 370.405 1.405 20 10 FDCDHL COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC001599585201 993603414 /nfs/dbraw/zinc/60/34/14/993603414.db2.gz AXEVCKYDUKZIQL-LBPRGKRZSA-N -2 3 366.395 1.544 20 10 FDCDHL COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-] ZINC001598824490 996367264 /nfs/dbraw/zinc/36/72/64/996367264.db2.gz AGCFYTSGPPCZAZ-CHWSQXEVSA-N -2 3 355.774 1.554 20 10 FDCDHL C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594407283 999526955 /nfs/dbraw/zinc/52/69/55/999526955.db2.gz QVJNEGWJNZJBER-BXKDBHETSA-N -2 3 356.400 1.089 20 10 FDCDHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000821765540 607001220 /nfs/dbraw/zinc/00/12/20/607001220.db2.gz FHJDLIDIMWSWSL-UHFFFAOYSA-N -2 3 373.354 1.212 20 10 FDCDHL CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783027446 792011174 /nfs/dbraw/zinc/01/11/74/792011174.db2.gz YBZGRAAFALKANV-UHFFFAOYSA-N -2 3 371.392 1.571 20 10 FDCDHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC001594766068 953531833 /nfs/dbraw/zinc/53/18/33/953531833.db2.gz ICUQBGJQMLUIFJ-GCULGPDHSA-N -2 3 352.362 1.743 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001594171376 959002514 /nfs/dbraw/zinc/00/25/14/959002514.db2.gz MWSPLFZRASZHEZ-LLVKDONJSA-N -2 3 370.427 1.481 20 10 FDCDHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589115 969752902 /nfs/dbraw/zinc/75/29/02/969752902.db2.gz DAEHVKWCOYLDQG-UHFFFAOYSA-N -2 3 368.729 1.905 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000823387639 607457114 /nfs/dbraw/zinc/45/71/14/607457114.db2.gz SBTJMVXVAYTRKB-RUDMXATFSA-N -2 3 365.371 1.292 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000823387639 607457115 /nfs/dbraw/zinc/45/71/15/607457115.db2.gz SBTJMVXVAYTRKB-RUDMXATFSA-N -2 3 365.371 1.292 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)ccc1[O-] ZINC000790406699 933523654 /nfs/dbraw/zinc/52/36/54/933523654.db2.gz FHNCVBZHRIVDAX-UHFFFAOYSA-N -2 3 372.424 1.110 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)ccc1[O-] ZINC000790408387 933525868 /nfs/dbraw/zinc/52/58/68/933525868.db2.gz XPMCDZRUCKRSIS-UHFFFAOYSA-N -2 3 374.415 1.549 20 10 FDCDHL O=C(N[C@@H]1C[C@@H]1C1CC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558904 963976730 /nfs/dbraw/zinc/97/67/30/963976730.db2.gz SCBLKJHTTZEXCE-KHQFGBGNSA-N -2 3 371.345 1.495 20 10 FDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(N)=O ZINC000775289681 967175945 /nfs/dbraw/zinc/17/59/45/967175945.db2.gz ZIDCMURKRUKRCL-UHFFFAOYSA-N -2 3 351.340 1.509 20 10 FDCDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000775286563 967201958 /nfs/dbraw/zinc/20/19/58/967201958.db2.gz XHSHJIVBXPAYDJ-UHFFFAOYSA-N -2 3 352.324 1.872 20 10 FDCDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2[nH]c1=O ZINC000776751240 969018518 /nfs/dbraw/zinc/01/85/18/969018518.db2.gz RWMPVTXCQBSFMF-UHFFFAOYSA-N -2 3 367.770 1.376 20 10 FDCDHL COc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1O ZINC000797820173 978835286 /nfs/dbraw/zinc/83/52/86/978835286.db2.gz JXSLFVAURVLCLW-UHFFFAOYSA-N -2 3 353.352 1.665 20 10 FDCDHL CCNC(=O)NC(=O)[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833657867 604950161 /nfs/dbraw/zinc/95/01/61/604950161.db2.gz RZZMDMGXHIWAEH-VIFPVBQESA-N -2 3 357.794 1.166 20 10 FDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(N)=O ZINC000324008082 676567380 /nfs/dbraw/zinc/56/73/80/676567380.db2.gz IBALJNQXYMZRMM-UHFFFAOYSA-N -2 3 350.352 1.299 20 10 FDCDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000766322378 926873464 /nfs/dbraw/zinc/87/34/64/926873464.db2.gz PBPFAPVNUIGGIT-UHFFFAOYSA-N -3 3 368.323 1.813 20 10 FDCDHL C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C(=O)[O-])C1 ZINC001594407284 999527160 /nfs/dbraw/zinc/52/71/60/999527160.db2.gz QVJNEGWJNZJBER-CABZTGNLSA-N -2 3 356.400 1.089 20 10 FDCDHL O=C([O-])[C@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000738718415 599956427 /nfs/dbraw/zinc/95/64/27/599956427.db2.gz HVASUJFXXDJXPV-MRXNPFEDSA-N -3 3 357.362 1.614 20 10 FDCDHL O=C([N-]C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1)C(F)(F)F ZINC000296116881 676415016 /nfs/dbraw/zinc/41/50/16/676415016.db2.gz QRFJCPKYQSUWAJ-QMMMGPOBSA-N -2 3 364.295 1.768 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1[O-] ZINC000790406880 933523713 /nfs/dbraw/zinc/52/37/13/933523713.db2.gz IVOUBBYDGQXFNJ-UHFFFAOYSA-N -2 3 374.415 1.549 20 10 FDCDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000775286750 967202090 /nfs/dbraw/zinc/20/20/90/967202090.db2.gz NDZVPZGMKPNWCS-UHFFFAOYSA-N -2 3 352.324 1.888 20 10 FDCDHL CN(C)c1nc(NC(=O)c2ccc(O)c([O-])c2Cl)c(N=O)c(=O)[n-]1 ZINC001193219510 969547245 /nfs/dbraw/zinc/54/72/45/969547245.db2.gz JDQWTEMRXVLPQA-UHFFFAOYSA-N -2 3 353.722 1.963 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC001599761056 992122557 /nfs/dbraw/zinc/12/25/57/992122557.db2.gz NLVWVCNZMALPRK-CHIMOYNISA-N -2 3 368.411 1.089 20 10 FDCDHL Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([O-])c1O ZINC000281639069 537571157 /nfs/dbraw/zinc/57/11/57/537571157.db2.gz HFGFUKNWGYOVNR-UHFFFAOYSA-N -2 3 360.332 1.937 20 10 FDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000728014870 912224873 /nfs/dbraw/zinc/22/48/73/912224873.db2.gz IWPPZPCVYQOOTB-UHFFFAOYSA-N -2 3 370.408 1.557 20 10 FDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(O)c(O)c2)c(F)cc1F ZINC001195254090 970794485 /nfs/dbraw/zinc/79/44/85/970794485.db2.gz GWCDEFSEIUAVMQ-UHFFFAOYSA-N -2 3 359.306 1.553 20 10 FDCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000776748652 968987594 /nfs/dbraw/zinc/98/75/94/968987594.db2.gz AOERXKLCOUOKRI-UHFFFAOYSA-N -2 3 351.775 1.822 20 10 FDCDHL CC[C@@H](C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC001594945439 982632712 /nfs/dbraw/zinc/63/27/12/982632712.db2.gz PISUSHZMWMPIER-BXKDBHETSA-N -2 3 358.416 1.383 20 10 FDCDHL O=C([O-])CN(CC(=O)NCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000739783820 600314768 /nfs/dbraw/zinc/31/47/68/600314768.db2.gz MVRQKRGBMMAIPU-UHFFFAOYSA-N -2 3 363.801 1.644 20 10 FDCDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000826497597 609156533 /nfs/dbraw/zinc/15/65/33/609156533.db2.gz MTCJKQXJQVMKIB-UHFFFAOYSA-N -2 3 362.327 1.281 20 10 FDCDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000826497597 609156534 /nfs/dbraw/zinc/15/65/34/609156534.db2.gz MTCJKQXJQVMKIB-UHFFFAOYSA-N -2 3 362.327 1.281 20 10 FDCDHL COCCOCCOCCS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000844664322 948291564 /nfs/dbraw/zinc/29/15/64/948291564.db2.gz QGOVDYKDXUYARC-UHFFFAOYSA-N -2 3 355.359 1.092 20 10 FDCDHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)C1 ZINC001594898778 954594979 /nfs/dbraw/zinc/59/49/79/954594979.db2.gz PVKDKSYIJJOSOL-LLVKDONJSA-N -2 3 354.353 1.568 20 10 FDCDHL CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542407 963988838 /nfs/dbraw/zinc/98/88/38/963988838.db2.gz RZUKFDMJGOZXLB-JGVFFNPUSA-N -2 3 361.350 1.741 20 10 FDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)nc1 ZINC001188518128 966352652 /nfs/dbraw/zinc/35/26/52/966352652.db2.gz CVHMQVOUDSFLEO-UHFFFAOYSA-N -2 3 353.375 1.564 20 10 FDCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1O ZINC000776747639 968963440 /nfs/dbraw/zinc/96/34/40/968963440.db2.gz IHGMOWXXHNCHPR-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1 ZINC001192726241 969273039 /nfs/dbraw/zinc/27/30/39/969273039.db2.gz PTOQSQASYCDOJJ-UHFFFAOYSA-N -3 3 359.306 1.935 20 10 FDCDHL CCOC(=O)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC001596755123 985122547 /nfs/dbraw/zinc/12/25/47/985122547.db2.gz KGQGHGICNYEBBJ-UHFFFAOYSA-N -2 3 369.761 1.692 20 10 FDCDHL COc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC001599459038 998238415 /nfs/dbraw/zinc/23/84/15/998238415.db2.gz DTRRKNSUQBGXAC-UHFFFAOYSA-N -3 3 367.335 1.598 20 10 FDCDHL Cc1c([N-]S(=O)(=O)c2cccc3nsnc32)cccc1-c1nn[n-]n1 ZINC000822128584 607255897 /nfs/dbraw/zinc/25/58/97/607255897.db2.gz DMIXCECVFYDLJI-UHFFFAOYSA-N -2 3 373.423 1.981 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000823387640 607457225 /nfs/dbraw/zinc/45/72/25/607457225.db2.gz SBTJMVXVAYTRKB-WTKPLQERSA-N -2 3 365.371 1.292 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000823387640 607457226 /nfs/dbraw/zinc/45/72/26/607457226.db2.gz SBTJMVXVAYTRKB-WTKPLQERSA-N -2 3 365.371 1.292 20 10 FDCDHL CC(C)C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC000826779906 600774529 /nfs/dbraw/zinc/77/45/29/600774529.db2.gz SFBBDSDVKGILNY-JTQLQIEISA-N -2 3 358.416 1.240 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000823387070 606335190 /nfs/dbraw/zinc/33/51/90/606335190.db2.gz BZJSUJSTNBWYHK-UQCOIBPSSA-N -2 3 353.410 1.214 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000823387070 606335192 /nfs/dbraw/zinc/33/51/92/606335192.db2.gz BZJSUJSTNBWYHK-UQCOIBPSSA-N -2 3 353.410 1.214 20 10 FDCDHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)ccc21 ZINC000326775410 676585444 /nfs/dbraw/zinc/58/54/44/676585444.db2.gz SDNRKWLQMYPAKK-UHFFFAOYSA-N -2 3 362.363 1.410 20 10 FDCDHL COC(=O)CCCCS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001196958132 972009798 /nfs/dbraw/zinc/00/97/98/972009798.db2.gz FXFODZHHHJGTQZ-UHFFFAOYSA-N -2 3 363.363 1.403 20 10 FDCDHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1O ZINC001184695848 963685196 /nfs/dbraw/zinc/68/51/96/963685196.db2.gz KDFXVVSUKBOTPQ-UHFFFAOYSA-N -2 3 365.363 1.986 20 10 FDCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C2CCC1CC2 ZINC001185549864 963972313 /nfs/dbraw/zinc/97/23/13/963972313.db2.gz SQBWEJGYVKJNKK-AMDVSUOASA-N -2 3 371.345 1.733 20 10 FDCDHL COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000775286989 967202199 /nfs/dbraw/zinc/20/21/99/967202199.db2.gz TUXJVHQYWKGLSJ-UHFFFAOYSA-N -3 3 367.335 1.383 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000832699395 601822486 /nfs/dbraw/zinc/82/24/86/601822486.db2.gz IVRJZHMHHBZWBG-UHFFFAOYSA-N -2 3 370.427 1.481 20 10 FDCDHL CC(C)(NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CC1 ZINC001185552398 963973416 /nfs/dbraw/zinc/97/34/16/963973416.db2.gz GQHDYMNQQKNUDX-MRVPVSSYSA-N -2 3 373.361 1.885 20 10 FDCDHL O=C(Nc1cnoc1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542450 963989314 /nfs/dbraw/zinc/98/93/14/963989314.db2.gz SXGLRJXVAKKRFW-LURJTMIESA-N -2 3 358.262 1.207 20 10 FDCDHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000775286370 967203615 /nfs/dbraw/zinc/20/36/15/967203615.db2.gz RCFVQGRRDDCIKE-UHFFFAOYSA-N -3 3 368.323 1.565 20 10 FDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001599760439 992114127 /nfs/dbraw/zinc/11/41/27/992114127.db2.gz DQEFUNPLMYGHLM-UHFFFAOYSA-N -2 3 370.408 1.557 20 10 FDCDHL COc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)c(CC(=O)[O-])c1 ZINC001599617104 994029752 /nfs/dbraw/zinc/02/97/52/994029752.db2.gz ZYCKSPSGGHNIEK-UHFFFAOYSA-N -2 3 369.370 1.646 20 10 FDCDHL C[C@H]1CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000828339875 601006066 /nfs/dbraw/zinc/00/60/66/601006066.db2.gz BIMCHTAXAVNVJU-RYUDHWBXSA-N -2 3 370.833 1.568 20 10 FDCDHL CCNC(=O)NC(=O)[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833657866 604950176 /nfs/dbraw/zinc/95/01/76/604950176.db2.gz RZZMDMGXHIWAEH-SECBINFHSA-N -2 3 357.794 1.166 20 10 FDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000323849357 676567003 /nfs/dbraw/zinc/56/70/03/676567003.db2.gz BVULCTDUWNSZIO-UHFFFAOYSA-N -2 3 370.408 1.557 20 10 FDCDHL O=C(Nc1c[nH]nn1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000788164333 932592319 /nfs/dbraw/zinc/59/23/19/932592319.db2.gz IEOXMVMZOCZYFH-UHFFFAOYSA-N -2 3 365.396 1.625 20 10 FDCDHL O=C(NCc1ccc[nH]1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553669 963974482 /nfs/dbraw/zinc/97/44/82/963974482.db2.gz RPLJRYSOQUXVTB-MRVPVSSYSA-N -2 3 370.317 1.224 20 10 FDCDHL O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558906 963976361 /nfs/dbraw/zinc/97/63/61/963976361.db2.gz SCBLKJHTTZEXCE-OYNCUSHFSA-N -2 3 371.345 1.495 20 10 FDCDHL CN(C)c1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC001598320846 991320766 /nfs/dbraw/zinc/32/07/66/991320766.db2.gz WIDCULCFKPTRHB-UHFFFAOYSA-N -2 3 359.404 1.525 20 10 FDCDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000763290171 601862361 /nfs/dbraw/zinc/86/23/61/601862361.db2.gz ILCUFBXVCRLEMD-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000833737714 604731155 /nfs/dbraw/zinc/73/11/55/604731155.db2.gz KNNNNHVLFBZULO-CQSZACIVSA-N -2 3 370.427 1.527 20 10 FDCDHL O=C(N[C@@H]1CC=CCC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558384 963976743 /nfs/dbraw/zinc/97/67/43/963976743.db2.gz KIFFSMNPRIXFQH-BDAKNGLRSA-N -2 3 371.345 1.805 20 10 FDCDHL COC(=O)CN(Cc1c(C(=O)[O-])cnn1C)Cc1cc(Cl)ccc1[O-] ZINC001604326655 973011068 /nfs/dbraw/zinc/01/10/68/973011068.db2.gz VASXVUOAYXEDRR-UHFFFAOYSA-N -2 3 367.789 1.653 20 10 FDCDHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-] ZINC000833747371 605525139 /nfs/dbraw/zinc/52/51/39/605525139.db2.gz WVZJTVJVCMGLGG-UHFFFAOYSA-N -3 3 367.335 1.603 20 10 FDCDHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc21 ZINC000326769851 676585453 /nfs/dbraw/zinc/58/54/53/676585453.db2.gz QSKZTSLYDZOOPK-QMMMGPOBSA-N -2 3 362.363 1.947 20 10 FDCDHL CN(CCS(C)(=O)=O)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728197443 769979889 /nfs/dbraw/zinc/97/98/89/769979889.db2.gz XVXOGGKAXNQWDY-UHFFFAOYSA-N -2 3 363.435 1.805 20 10 FDCDHL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1c([O-])cccc1F ZINC000921452306 888016063 /nfs/dbraw/zinc/01/60/63/888016063.db2.gz LBOJJPHOHBNFQW-NSHDSACASA-N -2 3 373.324 1.835 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1[O-] ZINC000790406086 933522478 /nfs/dbraw/zinc/52/24/78/933522478.db2.gz BYRYIVACWAMDCR-UHFFFAOYSA-N -2 3 360.388 1.240 20 10 FDCDHL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ccc(N2CCOCC2)nc1 ZINC001188525451 966358704 /nfs/dbraw/zinc/35/87/04/966358704.db2.gz IUKUEHQADHWVOJ-UHFFFAOYSA-N -2 3 371.365 1.703 20 10 FDCDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1[O-] ZINC000775288456 967209019 /nfs/dbraw/zinc/20/90/19/967209019.db2.gz MEDIJVBQAFOZFC-UHFFFAOYSA-N -2 3 362.327 1.077 20 10 FDCDHL CC[C@H](C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC001594945441 982632605 /nfs/dbraw/zinc/63/26/05/982632605.db2.gz PISUSHZMWMPIER-JOYOIKCWSA-N -2 3 358.416 1.383 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823548442 607460543 /nfs/dbraw/zinc/46/05/43/607460543.db2.gz WZWJQQSKOVJASY-JYRVWZFOSA-N -2 3 350.313 1.467 20 10 FDCDHL CC(=O)c1cc(F)cc(CN(C)CCN2CCN(C(=O)[O-])CC2)c1[O-] ZINC000823627411 604223765 /nfs/dbraw/zinc/22/37/65/604223765.db2.gz GQBUUWXNFWJAGF-UHFFFAOYSA-N -2 3 353.394 1.461 20 10 FDCDHL O=C(NCc1cc[nH]c1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552925 963974709 /nfs/dbraw/zinc/97/47/09/963974709.db2.gz MABKPGJFLSFWFH-MRVPVSSYSA-N -2 3 370.317 1.224 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC001599761059 992122587 /nfs/dbraw/zinc/12/25/87/992122587.db2.gz NLVWVCNZMALPRK-PXWWUCIGSA-N -2 3 368.411 1.089 20 10 FDCDHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593348166 994963727 /nfs/dbraw/zinc/96/37/27/994963727.db2.gz YLYDZWDSTLHJFP-SECBINFHSA-N -2 3 355.441 1.947 20 10 FDCDHL Cc1cc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000738428665 600144222 /nfs/dbraw/zinc/14/42/22/600144222.db2.gz XAMKNYIAPVKSCU-UHFFFAOYSA-N -2 3 353.762 1.867 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738164761 600318339 /nfs/dbraw/zinc/31/83/39/600318339.db2.gz YOCJGVLXPKSUNP-GFCCVEGCSA-N -2 3 368.411 1.091 20 10 FDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822210463 606866048 /nfs/dbraw/zinc/86/60/48/606866048.db2.gz CQWLVZRZGRFQSB-UHFFFAOYSA-N -2 3 367.337 1.960 20 10 FDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822210463 606866050 /nfs/dbraw/zinc/86/60/50/606866050.db2.gz CQWLVZRZGRFQSB-UHFFFAOYSA-N -2 3 367.337 1.960 20 10 FDCDHL CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000790411753 933527192 /nfs/dbraw/zinc/52/71/92/933527192.db2.gz QYSBKMCPJNKOAK-UHFFFAOYSA-N -3 3 353.352 1.996 20 10 FDCDHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)C1 ZINC001605976523 973000029 /nfs/dbraw/zinc/00/00/29/973000029.db2.gz BQENNPHLRDQSIJ-LLVKDONJSA-N -2 3 354.353 1.568 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC001599761058 992122750 /nfs/dbraw/zinc/12/27/50/992122750.db2.gz NLVWVCNZMALPRK-NURSFMCSSA-N -2 3 368.411 1.089 20 10 FDCDHL COc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1-c1nnn[n-]1 ZINC000737081567 599155537 /nfs/dbraw/zinc/15/55/37/599155537.db2.gz GJWWGGJZXSUMQU-GXDHUFHOSA-N -2 3 362.349 1.337 20 10 FDCDHL COc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1-c1nn[n-]n1 ZINC000737081567 599155539 /nfs/dbraw/zinc/15/55/39/599155539.db2.gz GJWWGGJZXSUMQU-GXDHUFHOSA-N -2 3 362.349 1.337 20 10 FDCDHL N=C(NC(=O)c1ccc([O-])c(O)c1Cl)SCCS(=O)(=O)[O-] ZINC001193236534 969565343 /nfs/dbraw/zinc/56/53/43/969565343.db2.gz GXTXOIZGUWBVFS-UHFFFAOYSA-N -2 3 354.793 1.037 20 10 FDCDHL COc1ccc(C(=O)[O-])c(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001599494983 997007274 /nfs/dbraw/zinc/00/72/74/997007274.db2.gz QVIJFNKMGPJPMU-UHFFFAOYSA-N -2 3 355.343 1.717 20 10 FDCDHL C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594407285 999527156 /nfs/dbraw/zinc/52/71/56/999527156.db2.gz QVJNEGWJNZJBER-JOYOIKCWSA-N -2 3 356.400 1.089 20 10 FDCDHL Cc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c([O-])c1O ZINC000291825395 537681117 /nfs/dbraw/zinc/68/11/17/537681117.db2.gz FJKVMMVMAHRHIF-JTQLQIEISA-N -2 3 360.332 1.937 20 10 FDCDHL C[C@@H]1CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000828339879 601006082 /nfs/dbraw/zinc/00/60/82/601006082.db2.gz BIMCHTAXAVNVJU-VXGBXAGGSA-N -2 3 370.833 1.568 20 10 FDCDHL O=S(=O)([N-]c1ccc(O)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493148 609156693 /nfs/dbraw/zinc/15/66/93/609156693.db2.gz VVHZGBFKNKHZHT-UHFFFAOYSA-N -2 3 353.310 1.651 20 10 FDCDHL O=S(=O)([N-]c1ccc(O)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826493148 609156694 /nfs/dbraw/zinc/15/66/94/609156694.db2.gz VVHZGBFKNKHZHT-UHFFFAOYSA-N -2 3 353.310 1.651 20 10 FDCDHL C[C@H](NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CC1 ZINC001185552010 963973607 /nfs/dbraw/zinc/97/36/07/963973607.db2.gz ACVHEBOZXFHXMN-POYBYMJQSA-N -2 3 359.334 1.495 20 10 FDCDHL CC(C)[C@H](C)NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542409 963989074 /nfs/dbraw/zinc/98/90/74/963989074.db2.gz RZUKFDMJGOZXLB-YUMQZZPRSA-N -2 3 361.350 1.741 20 10 FDCDHL CC(F)(F)CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542924 963990328 /nfs/dbraw/zinc/99/03/28/963990328.db2.gz ZXQLYYKMYBFFQU-RXMQYKEDSA-N -2 3 369.276 1.351 20 10 FDCDHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229729 969597433 /nfs/dbraw/zinc/59/74/33/969597433.db2.gz LAPGJMWQCISXGE-UHFFFAOYSA-N -2 3 372.786 1.617 20 10 FDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccoc2)cc1OC ZINC000795305634 1006000890 /nfs/dbraw/zinc/00/08/90/1006000890.db2.gz VZSVKCZANMFGSY-UHFFFAOYSA-N -2 3 360.413 1.851 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000820894592 602059355 /nfs/dbraw/zinc/05/93/55/602059355.db2.gz YBKCCOJLLWPUQA-UHFFFAOYSA-N -2 3 364.379 1.392 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000833737916 604706435 /nfs/dbraw/zinc/70/64/35/604706435.db2.gz NPHBMPNLWMVITJ-LBPRGKRZSA-N -2 3 370.408 1.381 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000823387519 606393077 /nfs/dbraw/zinc/39/30/77/606393077.db2.gz NPSKDEUMOURVJY-XVNBXDOJSA-N -2 3 353.410 1.214 20 10 FDCDHL O=C1[N-]C(=S)NC(=O)C1=CNN=c1[n-]cnc2c3ccccc3oc21 ZINC000029009309 670800733 /nfs/dbraw/zinc/80/07/33/670800733.db2.gz VNPJUWXNLXSQOB-UHFFFAOYSA-N -2 3 354.351 1.548 20 10 FDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c([N+](=O)[O-])n1 ZINC000766048419 882153787 /nfs/dbraw/zinc/15/37/87/882153787.db2.gz SKUGABWQDKKGHG-UHFFFAOYSA-N -2 3 354.344 1.520 20 10 FDCDHL O=C([O-])[C@@H]1CC(C(=O)NCc2c([O-])cccc2F)=NN1c1ccccc1 ZINC001594766223 953533189 /nfs/dbraw/zinc/53/31/89/953533189.db2.gz MNFGRZGBGRPLMR-HNNXBMFYSA-N -2 3 357.341 1.867 20 10 FDCDHL O=C(N[C@H]1C[C@@H]1C1CC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558907 963976548 /nfs/dbraw/zinc/97/65/48/963976548.db2.gz SCBLKJHTTZEXCE-WEDXCCLWSA-N -2 3 371.345 1.495 20 10 FDCDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000775285949 978747765 /nfs/dbraw/zinc/74/77/65/978747765.db2.gz GBJHGWZQMXVKGH-UHFFFAOYSA-N -3 3 352.324 1.728 20 10 FDCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598863197 996692393 /nfs/dbraw/zinc/69/23/93/996692393.db2.gz TWKAGLDCLNHFOO-GWCFXTLKSA-N -2 3 363.744 1.987 20 10 FDCDHL Cc1cc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])on1 ZINC000738427771 600144121 /nfs/dbraw/zinc/14/41/21/600144121.db2.gz HXSXOBVXRDXPEB-UHFFFAOYSA-N -2 3 353.762 1.867 20 10 FDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1O ZINC000757654985 601862290 /nfs/dbraw/zinc/86/22/90/601862290.db2.gz IMRYNBKOYCLAKJ-UHFFFAOYSA-N -3 3 355.299 1.729 20 10 FDCDHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc2nsnc21 ZINC000039967986 670886272 /nfs/dbraw/zinc/88/62/72/670886272.db2.gz HGDIHTDYCPCYJE-UHFFFAOYSA-N -2 3 359.396 1.672 20 10 FDCDHL COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148219062 952652042 /nfs/dbraw/zinc/65/20/42/952652042.db2.gz QORDALINKMIFEM-UHFFFAOYSA-N -2 3 366.351 1.395 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001599761147 992123512 /nfs/dbraw/zinc/12/35/12/992123512.db2.gz OVSAWWNQLPPCIO-UHFFFAOYSA-N -2 3 356.400 1.091 20 10 FDCDHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC001593773142 996470524 /nfs/dbraw/zinc/47/05/24/996470524.db2.gz RHIBSZSSPNTIJY-OAHLLOKOSA-N -2 3 356.400 1.091 20 10 FDCDHL CSCC[C@H](NC(=O)[O-])C(=O)C([O-])=C1CC(=O)Nc2cc(F)ccc21 ZINC000371375959 537827918 /nfs/dbraw/zinc/82/79/18/537827918.db2.gz WQXBVXNDSNOWLP-MNOVXSKESA-N -2 3 368.386 1.779 20 10 FDCDHL O=C([O-])CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000819539587 597278395 /nfs/dbraw/zinc/27/83/95/597278395.db2.gz AGBQBKHAUMJWMB-CYBMUJFWSA-N -2 3 372.874 1.944 20 10 FDCDHL O=C([O-])[C@@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000738718414 599956338 /nfs/dbraw/zinc/95/63/38/599956338.db2.gz HVASUJFXXDJXPV-INIZCTEOSA-N -3 3 357.362 1.614 20 10 FDCDHL CCCCNC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736998065 600144512 /nfs/dbraw/zinc/14/45/12/600144512.db2.gz DCCHLHSKHODNGR-UHFFFAOYSA-N -2 3 371.821 1.558 20 10 FDCDHL O=S(=O)([N-]Cc1ccccc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491979 607625401 /nfs/dbraw/zinc/62/54/01/607625401.db2.gz MQPLYXIUBDFFDH-UHFFFAOYSA-N -2 3 367.337 1.329 20 10 FDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1OC ZINC000264703259 672921333 /nfs/dbraw/zinc/92/13/33/672921333.db2.gz FJZPXUIVYDPJGC-UHFFFAOYSA-N -2 3 374.444 1.289 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1[O-] ZINC000790408050 933525040 /nfs/dbraw/zinc/52/50/40/933525040.db2.gz VVIWTQYISRGAJS-UHFFFAOYSA-N -2 3 374.415 1.549 20 10 FDCDHL O=C(CCn1cc[n-]c(=O)c1=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838991 940482289 /nfs/dbraw/zinc/48/22/89/940482289.db2.gz FDJDXYCRHPRHNW-UHFFFAOYSA-N -2 3 358.181 1.256 20 10 FDCDHL O=C(Nc1cccnn1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542536 963989133 /nfs/dbraw/zinc/98/91/33/963989133.db2.gz UYLRZQNYBKNJGF-LURJTMIESA-N -2 3 369.289 1.009 20 10 FDCDHL O=C1COc2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc2N1 ZINC000775285755 967151496 /nfs/dbraw/zinc/15/14/96/967151496.db2.gz ALSQSMQPHUEVNE-UHFFFAOYSA-N -2 3 365.323 1.432 20 10 FDCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCCCO1 ZINC001185542481 963989184 /nfs/dbraw/zinc/98/91/84/963989184.db2.gz UPRGHFNMJBFUBW-ZETCQYMHSA-N -2 3 361.306 1.134 20 10 FDCDHL Cc1c[nH]nc1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541893 963989203 /nfs/dbraw/zinc/98/92/03/963989203.db2.gz MDQNTHABBUNSEW-ZCFIWIBFSA-N -2 3 371.305 1.250 20 10 FDCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1[O-] ZINC000863410518 972885278 /nfs/dbraw/zinc/88/52/78/972885278.db2.gz FVYWOVBETUDDHN-UHFFFAOYSA-N -2 3 370.387 1.760 20 10 FDCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000776434304 978748715 /nfs/dbraw/zinc/74/87/15/978748715.db2.gz BTHCHZSAHPKPJI-UHFFFAOYSA-N -2 3 360.347 1.733 20 10 FDCDHL CC(C)(C)n1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC001590613767 990280730 /nfs/dbraw/zinc/28/07/30/990280730.db2.gz JBUSDPGCZHVKKW-UHFFFAOYSA-N -2 3 353.810 1.874 20 10 FDCDHL O=C([O-])CN(CC(=O)NCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000739783867 600314888 /nfs/dbraw/zinc/31/48/88/600314888.db2.gz SAIXPVBXAQVELZ-UHFFFAOYSA-N -2 3 363.801 1.644 20 10 FDCDHL O=C(NCc1cc[nH]c1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552926 963974589 /nfs/dbraw/zinc/97/45/89/963974589.db2.gz MABKPGJFLSFWFH-QMMMGPOBSA-N -2 3 370.317 1.224 20 10 FDCDHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776748651 968987462 /nfs/dbraw/zinc/98/74/62/968987462.db2.gz ALWGUBQACNHTHN-UHFFFAOYSA-N -2 3 362.816 1.494 20 10 FDCDHL O=C([O-])CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000819539588 597278157 /nfs/dbraw/zinc/27/81/57/597278157.db2.gz AGBQBKHAUMJWMB-ZDUSSCGKSA-N -2 3 372.874 1.944 20 10 FDCDHL COc1c([O-])c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-] ZINC000772176768 931100292 /nfs/dbraw/zinc/10/02/92/931100292.db2.gz PYYWZZBOYXAYDL-YWEYNIOJSA-N -2 3 370.364 1.595 20 10 FDCDHL CC(=O)NCCN(Cc1c([O-])cccc1Br)[C@@H](C)C(=O)[O-] ZINC001602758401 971477717 /nfs/dbraw/zinc/47/77/17/971477717.db2.gz GZUDPXTXSUTPHX-VIFPVBQESA-N -2 3 359.220 1.566 20 10 FDCDHL O=C(N=c1nc2[nH][n-]cc-2c(Cl)n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147881072 952568900 /nfs/dbraw/zinc/56/89/00/952568900.db2.gz NYSANGGSZFRZDC-UHFFFAOYSA-N -2 3 355.745 1.111 20 10 FDCDHL Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3ncccc3[O-])cc12 ZINC001184357216 963540365 /nfs/dbraw/zinc/54/03/65/963540365.db2.gz VXCAMDLRNJRGET-UHFFFAOYSA-N -2 3 369.377 1.978 20 10 FDCDHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1O ZINC001186184313 964335527 /nfs/dbraw/zinc/33/55/27/964335527.db2.gz RQJZBTSXLWIMPA-UHFFFAOYSA-N -2 3 369.326 1.817 20 10 FDCDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001599281037 996897056 /nfs/dbraw/zinc/89/70/56/996897056.db2.gz NLJQJBMWLRUNJI-UHFFFAOYSA-N -2 3 369.370 1.854 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000832699560 601758373 /nfs/dbraw/zinc/75/83/73/601758373.db2.gz KSLGPKHLZRVCRO-UHFFFAOYSA-N -2 3 356.400 1.139 20 10 FDCDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464072 670622203 /nfs/dbraw/zinc/62/22/03/670622203.db2.gz LIWHKPOORMIBOB-UHFFFAOYSA-N -2 3 350.352 1.850 20 10 FDCDHL O=C([N-]CC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)C(F)(F)F ZINC000295176421 676401353 /nfs/dbraw/zinc/40/13/53/676401353.db2.gz QZFREEGXNNNRDL-UHFFFAOYSA-N -2 3 364.295 1.768 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790063101 933353607 /nfs/dbraw/zinc/35/36/07/933353607.db2.gz OLAHUVGZKKXMFY-UHFFFAOYSA-N -2 3 357.775 1.770 20 10 FDCDHL CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000790411894 933527235 /nfs/dbraw/zinc/52/72/35/933527235.db2.gz UDPXKDYVVQSBPY-UHFFFAOYSA-N -2 3 362.363 1.475 20 10 FDCDHL O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887242 952557928 /nfs/dbraw/zinc/55/79/28/952557928.db2.gz IQUYUCHTZRGHFF-UHFFFAOYSA-N -2 3 363.333 1.772 20 10 FDCDHL O=C(Nc1ncc(Br)[n-]c1=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626722 969774906 /nfs/dbraw/zinc/77/49/06/969774906.db2.gz ZLSDQSZXSIECRX-UHFFFAOYSA-N -2 3 360.551 1.849 20 10 FDCDHL COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-] ZINC001598824493 996367231 /nfs/dbraw/zinc/36/72/31/996367231.db2.gz AGCFYTSGPPCZAZ-STQMWFEESA-N -2 3 355.774 1.554 20 10 FDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000226858423 209368458 /nfs/dbraw/zinc/36/84/58/209368458.db2.gz WHXVQBPIRDJIFS-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL COc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1-c1nnn[n-]1 ZINC000737081570 599155397 /nfs/dbraw/zinc/15/53/97/599155397.db2.gz GJWWGGJZXSUMQU-UVTDQMKNSA-N -2 3 362.349 1.337 20 10 FDCDHL COc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1-c1nn[n-]n1 ZINC000737081570 599155398 /nfs/dbraw/zinc/15/53/98/599155398.db2.gz GJWWGGJZXSUMQU-UVTDQMKNSA-N -2 3 362.349 1.337 20 10 FDCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(-n2cnnn2)cc1 ZINC000808114980 940519446 /nfs/dbraw/zinc/51/94/46/940519446.db2.gz JWEFMLMGQIFAKA-UHFFFAOYSA-N -2 3 369.765 1.961 20 10 FDCDHL COC[C@@]1(C(=O)[O-])CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC001593983558 956734207 /nfs/dbraw/zinc/73/42/07/956734207.db2.gz IWTGBBKDDZJNDQ-CQSZACIVSA-N -2 3 360.204 1.457 20 10 FDCDHL CCc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000790407821 933524895 /nfs/dbraw/zinc/52/48/95/933524895.db2.gz SELFKTDNRMSITR-UHFFFAOYSA-N -2 3 370.452 1.664 20 10 FDCDHL O=C(Nc1cccnn1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542537 963989427 /nfs/dbraw/zinc/98/94/27/963989427.db2.gz UYLRZQNYBKNJGF-ZCFIWIBFSA-N -2 3 369.289 1.009 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001599761109 992123530 /nfs/dbraw/zinc/12/35/30/992123530.db2.gz OAVSBWVWTSWFPC-CJNGLKHVSA-N -2 3 368.411 1.233 20 10 FDCDHL CC(C)N1CCc2c(c3ccccc3n2CC(=O)N=c2ccc([O-])n[n-]2)C1 ZINC000568586046 548594621 /nfs/dbraw/zinc/59/46/21/548594621.db2.gz JCDAYINZRLAZPP-UHFFFAOYSA-N -2 3 365.437 2.542 20 10 FDCDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc2[nH]1 ZINC000775289593 967175435 /nfs/dbraw/zinc/17/54/35/967175435.db2.gz XETNUJMXQLMOGG-UHFFFAOYSA-N -2 3 350.312 1.683 20 10 FDCDHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000776748875 968992758 /nfs/dbraw/zinc/99/27/58/968992758.db2.gz NCFRGJPOHXBNHV-UHFFFAOYSA-N -2 3 362.816 1.494 20 10 FDCDHL COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC001599586596 993621652 /nfs/dbraw/zinc/62/16/52/993621652.db2.gz TXHHUFSHGZNIGI-NSHDSACASA-N -2 3 366.395 1.544 20 10 FDCDHL CSCC[C@H](NC(=O)[O-])C(=O)C([O-])=C1CC(=O)Nc2cc(F)ccc21 ZINC000371375968 537827698 /nfs/dbraw/zinc/82/76/98/537827698.db2.gz WQXBVXNDSNOWLP-QWRGUYRKSA-N -2 3 368.386 1.779 20 10 FDCDHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-] ZINC000833026941 601219237 /nfs/dbraw/zinc/21/92/37/601219237.db2.gz LMOHXXXSEFIQSI-UHFFFAOYSA-N -2 3 356.375 1.970 20 10 FDCDHL C[C@H](NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CC1 ZINC001185552011 963973384 /nfs/dbraw/zinc/97/33/84/963973384.db2.gz ACVHEBOZXFHXMN-XPUUQOCRSA-N -2 3 359.334 1.495 20 10 FDCDHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000776434797 977469192 /nfs/dbraw/zinc/46/91/92/977469192.db2.gz MUYIGRZQQLVJIP-UHFFFAOYSA-N -2 3 365.363 1.607 20 10 FDCDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000226857449 537567545 /nfs/dbraw/zinc/56/75/45/537567545.db2.gz QVHVIOBTHBFGCH-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL CC(C)CNC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736440122 600144330 /nfs/dbraw/zinc/14/43/30/600144330.db2.gz KGCGKKREELIDDR-UHFFFAOYSA-N -2 3 371.821 1.414 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000833738532 604695728 /nfs/dbraw/zinc/69/57/28/604695728.db2.gz ZJTRAZRENAQZQK-UHFFFAOYSA-N -2 3 370.427 1.671 20 10 FDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1OC ZINC000727358129 822307896 /nfs/dbraw/zinc/30/78/96/822307896.db2.gz VRLFFDCGYPRLJU-UHFFFAOYSA-N -2 3 374.444 1.289 20 10 FDCDHL O=C(N[C@H]1C[C@H]1C1CC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558905 963976463 /nfs/dbraw/zinc/97/64/63/963976463.db2.gz SCBLKJHTTZEXCE-NRPADANISA-N -2 3 371.345 1.495 20 10 FDCDHL O=C(Nc1cnoc1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542451 963988779 /nfs/dbraw/zinc/98/87/79/963988779.db2.gz SXGLRJXVAKKRFW-ZCFIWIBFSA-N -2 3 358.262 1.207 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823548444 607460921 /nfs/dbraw/zinc/46/09/21/607460921.db2.gz WZWJQQSKOVJASY-MDWZMJQESA-N -2 3 350.313 1.467 20 10 FDCDHL O=c1cnc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000821198094 944364927 /nfs/dbraw/zinc/36/49/27/944364927.db2.gz LAKLNBLQKPCQTQ-UHFFFAOYSA-N -2 3 362.323 1.338 20 10 FDCDHL COC[C@]1(C(=O)[O-])CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC001593983557 956733459 /nfs/dbraw/zinc/73/34/59/956733459.db2.gz IWTGBBKDDZJNDQ-AWEZNQCLSA-N -2 3 360.204 1.457 20 10 FDCDHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)[O-] ZINC001597718454 988994405 /nfs/dbraw/zinc/99/44/05/988994405.db2.gz ROTMZDBKXWQWHB-UHFFFAOYSA-N -3 3 371.390 1.889 20 10 FDCDHL COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-] ZINC001598824491 996366959 /nfs/dbraw/zinc/36/69/59/996366959.db2.gz AGCFYTSGPPCZAZ-OLZOCXBDSA-N -2 3 355.774 1.554 20 10 FDCDHL O=C([O-])CN(CC(=O)NCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739783839 600145235 /nfs/dbraw/zinc/14/52/35/600145235.db2.gz OYQIIKVNZUPSFO-UHFFFAOYSA-N -2 3 354.712 1.611 20 10 FDCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000795334923 601862388 /nfs/dbraw/zinc/86/23/88/601862388.db2.gz WGUOUKXFICZHRF-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000833796734 605648248 /nfs/dbraw/zinc/64/82/48/605648248.db2.gz ZAIRRPLLJDPJCL-NSHDSACASA-N -2 3 373.431 1.176 20 10 FDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000023398004 670706076 /nfs/dbraw/zinc/70/60/76/670706076.db2.gz NEKHDAHENFEBJB-UHFFFAOYSA-N -2 3 370.408 1.557 20 10 FDCDHL O=C(N[C@H]1CC=CCC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558388 963976481 /nfs/dbraw/zinc/97/64/81/963976481.db2.gz KIFFSMNPRIXFQH-IUCAKERBSA-N -2 3 371.345 1.805 20 10 FDCDHL O=C(N[C@H]1CC12CCC2)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557402 963976510 /nfs/dbraw/zinc/97/65/10/963976510.db2.gz CHZCTFLUJHYQMI-CPCISQLKSA-N -2 3 371.345 1.639 20 10 FDCDHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000776433428 978748246 /nfs/dbraw/zinc/74/82/46/978748246.db2.gz UXRMPRSPKHYBIO-UHFFFAOYSA-N -2 3 364.379 1.874 20 10 FDCDHL CN1CCCc2cc(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC000833697444 605023135 /nfs/dbraw/zinc/02/31/35/605023135.db2.gz KCKKXOPSFPYPFX-UHFFFAOYSA-N -2 3 367.452 1.702 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594171302 959001150 /nfs/dbraw/zinc/00/11/50/959001150.db2.gz IDIMAJPGBPYOMQ-LBPRGKRZSA-N -2 3 370.427 1.623 20 10 FDCDHL COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1[N-]S(C)(=O)=O ZINC000776327702 975754788 /nfs/dbraw/zinc/75/47/88/975754788.db2.gz OCIPKFDKIDWBHJ-UHFFFAOYSA-N -2 3 352.368 1.730 20 10 FDCDHL CN(C)c1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC001598353730 991460541 /nfs/dbraw/zinc/46/05/41/991460541.db2.gz HUXYGWJJXIDMTN-UHFFFAOYSA-N -2 3 350.806 1.988 20 10 FDCDHL CCCNC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737025285 600144125 /nfs/dbraw/zinc/14/41/25/600144125.db2.gz RUSKTJSXDGHNJI-UHFFFAOYSA-N -2 3 357.794 1.168 20 10 FDCDHL C[C@@H]1CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000828339877 601006499 /nfs/dbraw/zinc/00/64/99/601006499.db2.gz BIMCHTAXAVNVJU-TXEJJXNPSA-N -2 3 370.833 1.568 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482958 608881085 /nfs/dbraw/zinc/88/10/85/608881085.db2.gz WDRVCGBRPILIHJ-UKTHLTGXSA-N -2 3 350.313 1.467 20 10 FDCDHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826482958 608881088 /nfs/dbraw/zinc/88/10/88/608881088.db2.gz WDRVCGBRPILIHJ-UKTHLTGXSA-N -2 3 350.313 1.467 20 10 FDCDHL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc21 ZINC000326384547 676582868 /nfs/dbraw/zinc/58/28/68/676582868.db2.gz JMFKYCJVUOAVOA-MRVPVSSYSA-N -2 3 362.363 1.947 20 10 FDCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C2CCC1CC2 ZINC001185549927 963972712 /nfs/dbraw/zinc/97/27/12/963972712.db2.gz SQBWEJGYVKJNKK-HACHORDNSA-N -2 3 371.345 1.733 20 10 FDCDHL Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1-c1nn[n-]n1 ZINC000826299384 981932144 /nfs/dbraw/zinc/93/21/44/981932144.db2.gz BTKKKESBMYTFJY-UHFFFAOYSA-N -2 3 357.355 1.512 20 10 FDCDHL CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000833796733 605648384 /nfs/dbraw/zinc/64/83/84/605648384.db2.gz ZAIRRPLLJDPJCL-LLVKDONJSA-N -2 3 373.431 1.176 20 10 FDCDHL O=C(CSc1n[n-]c(=S)s1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177346105 963779031 /nfs/dbraw/zinc/77/90/31/963779031.db2.gz PKJDGLIUVADGDV-UHFFFAOYSA-N -2 3 357.438 1.329 20 10 FDCDHL O=C(Nc1ncccn1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541297 963987981 /nfs/dbraw/zinc/98/79/81/963987981.db2.gz IUGOCHHXVPBYGB-LURJTMIESA-N -2 3 369.289 1.009 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C(=O)[O-] ZINC000797819251 978834884 /nfs/dbraw/zinc/83/48/84/978834884.db2.gz BTKPGBQOXUPOBP-UHFFFAOYSA-N -2 3 353.352 1.908 20 10 FDCDHL CC[C@@H](C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC001594945442 982632788 /nfs/dbraw/zinc/63/27/88/982632788.db2.gz PISUSHZMWMPIER-SKDRFNHKSA-N -2 3 358.416 1.383 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC001599761630 992130059 /nfs/dbraw/zinc/13/00/59/992130059.db2.gz WHYDPYAYGYMHHJ-UHFFFAOYSA-N -2 3 370.427 1.623 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000833737915 604706693 /nfs/dbraw/zinc/70/66/93/604706693.db2.gz NPHBMPNLWMVITJ-GFCCVEGCSA-N -2 3 370.408 1.381 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000833737711 604731089 /nfs/dbraw/zinc/73/10/89/604731089.db2.gz KNNNNHVLFBZULO-AWEZNQCLSA-N -2 3 370.427 1.527 20 10 FDCDHL COc1c([O-])c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-] ZINC000772176766 931100155 /nfs/dbraw/zinc/10/01/55/931100155.db2.gz PYYWZZBOYXAYDL-XBXARRHUSA-N -2 3 370.364 1.595 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594171598 959005444 /nfs/dbraw/zinc/00/54/44/959005444.db2.gz SJYWPHVZTGULTK-UHFFFAOYSA-N -2 3 364.379 1.392 20 10 FDCDHL CC(C)N(CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC000738844879 602406042 /nfs/dbraw/zinc/40/60/42/602406042.db2.gz DPZSRSNQUHHUDH-UHFFFAOYSA-N -2 3 373.431 1.272 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000823387068 606335040 /nfs/dbraw/zinc/33/50/40/606335040.db2.gz BZJSUJSTNBWYHK-FARCUNLSSA-N -2 3 353.410 1.214 20 10 FDCDHL O=C([O-])CN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000823387068 606335041 /nfs/dbraw/zinc/33/50/41/606335041.db2.gz BZJSUJSTNBWYHK-FARCUNLSSA-N -2 3 353.410 1.214 20 10 FDCDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013464166 670622226 /nfs/dbraw/zinc/62/22/26/670622226.db2.gz DERNSVQBEIHOIW-UHFFFAOYSA-N -2 3 350.352 1.850 20 10 FDCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000326402217 676582907 /nfs/dbraw/zinc/58/29/07/676582907.db2.gz NRWHPJULDHWQDO-UHFFFAOYSA-N -2 3 361.331 1.998 20 10 FDCDHL CCC(CC)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC001589498187 955027824 /nfs/dbraw/zinc/02/78/24/955027824.db2.gz YNRKCUMGLHUHFM-UHFFFAOYSA-N -2 3 358.416 1.385 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000775285785 967151912 /nfs/dbraw/zinc/15/19/12/967151912.db2.gz BXHSWMCFZGDEAV-UHFFFAOYSA-N -3 3 368.323 1.808 20 10 FDCDHL CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000828146300 603537208 /nfs/dbraw/zinc/53/72/08/603537208.db2.gz GTEGBUCFEYYOJT-UHFFFAOYSA-N -2 3 373.431 1.130 20 10 FDCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cccc(-n2cnnn2)c1 ZINC000808113914 940519438 /nfs/dbraw/zinc/51/94/38/940519438.db2.gz LWRXCOFVFMSRPJ-UHFFFAOYSA-N -2 3 369.765 1.961 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1CC(=O)[O-] ZINC000774607345 962903537 /nfs/dbraw/zinc/90/35/37/962903537.db2.gz FKVQILYAUQRVJW-UHFFFAOYSA-N -2 3 365.363 1.852 20 10 FDCDHL CC(C)(NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CC1 ZINC001185552402 963973642 /nfs/dbraw/zinc/97/36/42/963973642.db2.gz GQHDYMNQQKNUDX-QMMMGPOBSA-N -2 3 373.361 1.885 20 10 FDCDHL O=C(N[C@@H]1CC12CCC2)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557404 963976806 /nfs/dbraw/zinc/97/68/06/963976806.db2.gz CHZCTFLUJHYQMI-RDDDGLTNSA-N -2 3 371.345 1.639 20 10 FDCDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1CC2(C1)NC(=O)[N-]C2=O ZINC000377088769 537955392 /nfs/dbraw/zinc/95/53/92/537955392.db2.gz LERBYNSQOQYTSH-UHFFFAOYSA-N -2 3 358.181 1.303 20 10 FDCDHL C[C@H]1CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCO1 ZINC000736804683 600144113 /nfs/dbraw/zinc/14/41/13/600144113.db2.gz GQOHSWSEKBWYKM-NSHDSACASA-N -2 3 356.806 1.180 20 10 FDCDHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000751186322 601241491 /nfs/dbraw/zinc/24/14/91/601241491.db2.gz JQFMHGZEGJWJGP-UHFFFAOYSA-N -3 3 367.335 1.355 20 10 FDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1O ZINC000326718494 676585374 /nfs/dbraw/zinc/58/53/74/676585374.db2.gz DUGWPWGAEYWQJQ-UHFFFAOYSA-N -2 3 361.331 1.998 20 10 FDCDHL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc21 ZINC000326769850 676585493 /nfs/dbraw/zinc/58/54/93/676585493.db2.gz QSKZTSLYDZOOPK-MRVPVSSYSA-N -2 3 362.363 1.947 20 10 FDCDHL CN1CCN(c2ccc(CNc3ccc(P(=O)([O-])[O-])cc3)cc2)CC1 ZINC001167437346 774928351 /nfs/dbraw/zinc/92/83/51/774928351.db2.gz RGSROMHXOACENY-UHFFFAOYSA-N -2 3 361.382 1.854 20 10 FDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000743260123 926308067 /nfs/dbraw/zinc/30/80/67/926308067.db2.gz WPMRQPZSPAJRPT-UHFFFAOYSA-N -2 3 365.363 1.971 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1[O-] ZINC000790407106 933523572 /nfs/dbraw/zinc/52/35/72/933523572.db2.gz SMZWETZSEQKYKN-UHFFFAOYSA-N -2 3 370.452 1.718 20 10 FDCDHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1 ZINC001594898590 954594470 /nfs/dbraw/zinc/59/44/70/954594470.db2.gz NROKAQYWQCFROC-LLVKDONJSA-N -2 3 354.353 1.568 20 10 FDCDHL Cc1c[nH]nc1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541891 963989094 /nfs/dbraw/zinc/98/90/94/963989094.db2.gz MDQNTHABBUNSEW-LURJTMIESA-N -2 3 371.305 1.250 20 10 FDCDHL CC(C)CN1C(=O)C(=CNc2cccc(-c3nnn[n-]3)c2)C(=O)[N-]C1=S ZINC000299272686 537529874 /nfs/dbraw/zinc/52/98/74/537529874.db2.gz VDQLCUZWDHBMCL-GHXNOFRVSA-N -2 3 371.426 1.062 20 10 FDCDHL CC(C)CN1C(=O)C(=CNc2cccc(-c3nn[n-]n3)c2)C(=O)[N-]C1=S ZINC000299272686 537529884 /nfs/dbraw/zinc/52/98/84/537529884.db2.gz VDQLCUZWDHBMCL-GHXNOFRVSA-N -2 3 371.426 1.062 20 10 FDCDHL COCCc1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000737824478 600144189 /nfs/dbraw/zinc/14/41/89/600144189.db2.gz WSJKEOQPCPLFHY-UHFFFAOYSA-N -2 3 355.778 1.704 20 10 FDCDHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000822221239 607001381 /nfs/dbraw/zinc/00/13/81/607001381.db2.gz GULPYFNVCLJEDD-UHFFFAOYSA-N -2 3 357.355 1.512 20 10 FDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1[O-] ZINC000790406036 933522917 /nfs/dbraw/zinc/52/29/17/933522917.db2.gz BCOALOBQQQCLIR-UHFFFAOYSA-N -2 3 356.425 1.410 20 10 FDCDHL CCc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)c1 ZINC000790408303 933525706 /nfs/dbraw/zinc/52/57/06/933525706.db2.gz VSSAKPTWMDRFTI-UHFFFAOYSA-N -2 3 370.452 1.664 20 10 FDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1[O-] ZINC000846283916 950848073 /nfs/dbraw/zinc/84/80/73/950848073.db2.gz GXKPVVDVONHFHQ-CYBMUJFWSA-N -2 3 362.361 1.861 20 10 FDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(N)=O ZINC000776748761 968995362 /nfs/dbraw/zinc/99/53/62/968995362.db2.gz FWTMADFNXJYRLH-UHFFFAOYSA-N -2 3 356.787 1.954 20 10 FDCDHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001591423406 992509902 /nfs/dbraw/zinc/50/99/02/992509902.db2.gz NUKSNENVYFLQRH-LBPRGKRZSA-N -2 3 358.416 1.335 20 10 FDCDHL C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C(=O)[O-])C1 ZINC001594407286 999527071 /nfs/dbraw/zinc/52/70/71/999527071.db2.gz QVJNEGWJNZJBER-SKDRFNHKSA-N -2 3 356.400 1.089 20 10 FDCDHL CC(C)C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-] ZINC000826779910 600774515 /nfs/dbraw/zinc/77/45/15/600774515.db2.gz SFBBDSDVKGILNY-SNVBAGLBSA-N -2 3 358.416 1.240 20 10 FDCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000832972522 601863693 /nfs/dbraw/zinc/86/36/93/601863693.db2.gz DTPHGGLEHWHHEU-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000833737866 605859970 /nfs/dbraw/zinc/85/99/70/605859970.db2.gz LTVFHPLCHMZTJW-GFCCVEGCSA-N -2 3 356.400 1.233 20 10 FDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(N2CCOCC2)nc1 ZINC001188529114 966365508 /nfs/dbraw/zinc/36/55/08/966365508.db2.gz ASPOZQZRDPPSNX-UHFFFAOYSA-N -2 3 371.365 1.703 20 10 FDCDHL COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-] ZINC001598824492 996367144 /nfs/dbraw/zinc/36/71/44/996367144.db2.gz AGCFYTSGPPCZAZ-QWHCGFSZSA-N -2 3 355.774 1.554 20 10 FDCDHL O=C([O-])CN(CC(=O)NC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783906 600314673 /nfs/dbraw/zinc/31/46/73/600314673.db2.gz YRKCGDJJORPAPH-UHFFFAOYSA-N -2 3 356.806 1.227 20 10 FDCDHL CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390326 600368163 /nfs/dbraw/zinc/36/81/63/600368163.db2.gz NNHXLTIGDFMUMR-ZDUSSCGKSA-N -2 3 355.412 1.958 20 10 FDCDHL Cc1n[nH]c(C)c1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738822813 600506401 /nfs/dbraw/zinc/50/64/01/600506401.db2.gz CBGXSABBKXQURC-UHFFFAOYSA-N -2 3 366.805 1.911 20 10 FDCDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000757658324 601862198 /nfs/dbraw/zinc/86/21/98/601862198.db2.gz YWHHCRLWTLNZHI-UHFFFAOYSA-N -3 3 351.336 1.518 20 10 FDCDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000757655815 601862252 /nfs/dbraw/zinc/86/22/52/601862252.db2.gz LYUYVHUCLREASH-UHFFFAOYSA-N -3 3 351.336 1.898 20 10 FDCDHL