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([O-])[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001594727310 957015667 /nfs/dbraw/zinc/01/56/67/957015667.db2.gz RHUQYUCRMKEZFE-STQMWFEESA-N -2 3 313.309 2.141 20 10 DECDHL O=C([O-])C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC001601905538 1077473590 /nfs/dbraw/zinc/47/35/90/1077473590.db2.gz JBKRZGYSUDKGFA-VIFPVBQESA-N -2 3 307.327 2.105 20 10 DECDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)[O-] ZINC000317234841 635203315 /nfs/dbraw/zinc/20/33/15/635203315.db2.gz DKCPWVZCZRPUDK-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL CCc1ncc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC000763373537 640536767 /nfs/dbraw/zinc/53/67/67/640536767.db2.gz KQLANLSRDIQTPR-UHFFFAOYSA-N -2 3 302.352 2.351 20 10 DECDHL CC[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)OC ZINC000901962625 642849241 /nfs/dbraw/zinc/84/92/41/642849241.db2.gz ILGILEBALGPHHS-SSDOTTSWSA-N -2 3 311.762 2.351 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ncc(F)cc1F ZINC001190172749 796953688 /nfs/dbraw/zinc/95/36/88/796953688.db2.gz CKVWIQAMYDDVKA-UHFFFAOYSA-N -2 3 304.249 2.005 20 10 DECDHL O=S(=O)([N-]c1ccc(O)cc1[O-])C(Cl)(Cl)Cl ZINC001191997927 797296871 /nfs/dbraw/zinc/29/68/71/797296871.db2.gz XTBYRPBRRSTKKB-UHFFFAOYSA-N -2 3 306.554 2.167 20 10 DECDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1cn[nH]c1 ZINC001260960658 1144213152 /nfs/dbraw/zinc/21/31/52/1144213152.db2.gz DFYPDBCUYKXBFX-UHFFFAOYSA-N -2 3 308.146 2.223 20 10 DECDHL COCc1cc(NC(=O)c2cccc(O)c2[O-])cc(C(=O)[O-])c1 ZINC001610270111 1077997953 /nfs/dbraw/zinc/99/79/53/1077997953.db2.gz HWDIBHYKYUQNRU-UHFFFAOYSA-N -2 3 317.297 2.195 20 10 DECDHL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)cn1 ZINC001259826508 1144139079 /nfs/dbraw/zinc/13/90/79/1144139079.db2.gz WSEFSFSKYDCRLM-UHFFFAOYSA-N -2 3 322.173 2.233 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCC[C@H](N(C)C(=O)[O-])C2)c1[O-] ZINC000823626714 604223682 /nfs/dbraw/zinc/22/36/82/604223682.db2.gz BDCGOWRJRAPALL-ZDUSSCGKSA-N -2 3 324.352 2.308 20 10 DECDHL O=C([O-])NC[C@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000834219474 605995541 /nfs/dbraw/zinc/99/55/41/605995541.db2.gz GYSGLCREUKZTCJ-SNVBAGLBSA-N -2 3 302.733 2.417 20 10 DECDHL O=C(COC(=O)c1c(F)cc([O-])cc1F)c1ccc([O-])c(O)c1 ZINC000783716093 643041017 /nfs/dbraw/zinc/04/10/17/643041017.db2.gz MJUIVVCIBCZHIQ-UHFFFAOYSA-N -2 3 324.235 2.121 20 10 DECDHL O=C([O-])CN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC001602057847 1077501734 /nfs/dbraw/zinc/50/17/34/1077501734.db2.gz XRYPEYNBBQLWRX-UHFFFAOYSA-N -2 3 314.263 2.389 20 10 DECDHL O=C([O-])c1ccc([N+](=O)[O-])c(NCc2c([O-])cccc2F)n1 ZINC001608915226 1077720418 /nfs/dbraw/zinc/72/04/18/1077720418.db2.gz KJUCHEUGXJDJAD-UHFFFAOYSA-N -2 3 307.237 2.145 20 10 DECDHL CCc1nc(NC(=O)c2cccc(O)c2[O-])sc1C(=O)[O-] ZINC001610073118 1077975802 /nfs/dbraw/zinc/97/58/02/1077975802.db2.gz VMVJKMVJLAMBOZ-UHFFFAOYSA-N -2 3 308.315 2.067 20 10 DECDHL Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])on1 ZINC000738382860 600314796 /nfs/dbraw/zinc/31/47/96/600314796.db2.gz NDLNHPIOAWRQAX-UHFFFAOYSA-N -2 3 310.737 2.429 20 10 DECDHL O=S(=O)(Cc1cccnc1)[N-]c1cc(F)c([O-])cc1F ZINC001197465547 798191427 /nfs/dbraw/zinc/19/14/27/798191427.db2.gz YFJHXAKLQMJFJX-UHFFFAOYSA-N -2 3 300.286 2.007 20 10 DECDHL Cc1cc([O-])c(CN2CCc3[nH]nc(C(=O)[O-])c3C2)c(Cl)c1 ZINC001600286870 1077176554 /nfs/dbraw/zinc/17/65/54/1077176554.db2.gz YKWYQLRBCSBPAG-UHFFFAOYSA-N -2 3 321.764 2.334 20 10 DECDHL Cc1cn(C)nc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600612831 1077233214 /nfs/dbraw/zinc/23/32/14/1077233214.db2.gz RMQQPNUXYNRKOG-UHFFFAOYSA-N -2 3 323.780 2.174 20 10 DECDHL O=C([O-])c1cc(C2CN(Cc3cccc(Cl)c3[O-])C2)[nH]n1 ZINC001608840907 1077705070 /nfs/dbraw/zinc/70/50/70/1077705070.db2.gz OOLNINRJDVKFAN-UHFFFAOYSA-N -2 3 307.737 2.066 20 10 DECDHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001609010642 1077739953 /nfs/dbraw/zinc/73/99/53/1077739953.db2.gz YGLRMDHBBSLJGA-UHFFFAOYSA-N -2 3 317.319 2.092 20 10 DECDHL O=C([O-])NC[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000834219472 605995479 /nfs/dbraw/zinc/99/54/79/605995479.db2.gz GYSGLCREUKZTCJ-JTQLQIEISA-N -2 3 302.733 2.417 20 10 DECDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cs1 ZINC000758169592 639922441 /nfs/dbraw/zinc/92/24/41/639922441.db2.gz UQMNRLFZGZKHOZ-UHFFFAOYSA-N -2 3 317.319 2.092 20 10 DECDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001597487878 987995295 /nfs/dbraw/zinc/99/52/95/987995295.db2.gz ROCGMPWACCRDCD-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000070333308 648905921 /nfs/dbraw/zinc/90/59/21/648905921.db2.gz BYMDFFGMXYZHFR-UHFFFAOYSA-N -2 3 312.278 2.240 20 10 DECDHL CO[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000703775684 977196981 /nfs/dbraw/zinc/19/69/81/977196981.db2.gz DSWAPWCKLWNMBP-ZDUSSCGKSA-N -2 3 320.172 2.375 20 10 DECDHL CC[C@@](NC(=O)c1cccc(O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595270190 980285116 /nfs/dbraw/zinc/28/51/16/980285116.db2.gz BJQXDMSCECSBMS-KRWDZBQOSA-N -2 3 315.325 2.218 20 10 DECDHL O=C([O-])c1n[nH]c2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001602567569 1069680043 /nfs/dbraw/zinc/68/00/43/1069680043.db2.gz RJNLOMBMTARXPN-UHFFFAOYSA-N -2 3 307.737 2.025 20 10 DECDHL Cc1cc([O-])c(CN[C@@H](C(=O)[O-])c2ccn(C)n2)cc1Cl ZINC001607700024 1071532312 /nfs/dbraw/zinc/53/23/12/1071532312.db2.gz QUDSCWPJDROBGX-CYBMUJFWSA-N -2 3 309.753 2.003 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000041091052 600678580 /nfs/dbraw/zinc/67/85/80/600678580.db2.gz ULGDHWVWUVDVGN-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000738463394 600678990 /nfs/dbraw/zinc/67/89/90/600678990.db2.gz AAINTXSKKYGUSS-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1O ZINC000148136135 604827269 /nfs/dbraw/zinc/82/72/69/604827269.db2.gz YTENGUCWQDKFPC-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL CC[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)OC ZINC000901962627 642849311 /nfs/dbraw/zinc/84/93/11/642849311.db2.gz ILGILEBALGPHHS-ZETCQYMHSA-N -2 3 311.762 2.351 20 10 DECDHL O=C([O-])C[C@H]1CSCCN1Cc1cc(F)cc(F)c1[O-] ZINC000708089113 977415634 /nfs/dbraw/zinc/41/56/34/977415634.db2.gz KBMPNHIWGZGKGQ-JTQLQIEISA-N -2 3 303.330 2.063 20 10 DECDHL CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001603281403 1069932293 /nfs/dbraw/zinc/93/22/93/1069932293.db2.gz RFKXAPXHPUKDRL-UHFFFAOYSA-N -2 3 322.342 2.169 20 10 DECDHL O=C([O-])CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001610776221 1078075122 /nfs/dbraw/zinc/07/51/22/1078075122.db2.gz SXJGNDLZGWREPW-UHFFFAOYSA-N -2 3 317.297 2.204 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCC[C@@H](N(C)C(=O)[O-])C2)c1[O-] ZINC000823626713 604223635 /nfs/dbraw/zinc/22/36/35/604223635.db2.gz BDCGOWRJRAPALL-CYBMUJFWSA-N -2 3 324.352 2.308 20 10 DECDHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-] ZINC000790607558 643871618 /nfs/dbraw/zinc/87/16/18/643871618.db2.gz WYQFUNDLKBUWKR-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=S(=O)([N-]c1cccc(O)c1F)c1cc(F)cc(F)c1[O-] ZINC000821192383 648006785 /nfs/dbraw/zinc/00/67/85/648006785.db2.gz TYWZHARWOJDQSS-UHFFFAOYSA-N -2 3 319.260 2.316 20 10 DECDHL O=C(NCc1cccc(Br)c1[O-])c1ccc([O-])cn1 ZINC001626822739 1078263963 /nfs/dbraw/zinc/26/39/63/1078263963.db2.gz ULKYRJAPQHSFMJ-UHFFFAOYSA-N -2 3 323.146 2.185 20 10 DECDHL Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(O)c2[O-])c1 ZINC001600517523 1077214518 /nfs/dbraw/zinc/21/45/18/1077214518.db2.gz UPGNFNXOZOQLEL-ZDUSSCGKSA-N -2 3 315.325 2.352 20 10 DECDHL O=C([O-])CCC1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001601974396 1077486774 /nfs/dbraw/zinc/48/67/74/1077486774.db2.gz ICXRENNFZKRJIO-UHFFFAOYSA-N -2 3 307.346 2.395 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1O ZINC001610474514 1078026562 /nfs/dbraw/zinc/02/65/62/1078026562.db2.gz LEEUVXVSXVEUQK-UHFFFAOYSA-N -2 3 321.354 2.129 20 10 DECDHL Cc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc([O-])c2C3=O)o1 ZINC001253381555 1142867147 /nfs/dbraw/zinc/86/71/47/1142867147.db2.gz ASZUNPZASJJGQF-UHFFFAOYSA-N -2 3 322.276 2.232 20 10 DECDHL O=C([O-])CCCc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000388487986 972172669 /nfs/dbraw/zinc/17/26/69/972172669.db2.gz CVBXIYCXDCKIKG-UHFFFAOYSA-N -2 3 322.342 2.214 20 10 DECDHL O=C([O-])[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715763039 977781695 /nfs/dbraw/zinc/78/16/95/977781695.db2.gz NQLZGUMLKDQCMT-ZETCQYMHSA-N -2 3 318.142 2.200 20 10 DECDHL CC[C@](NC(=O)c1cccc(O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595270191 980285259 /nfs/dbraw/zinc/28/52/59/980285259.db2.gz BJQXDMSCECSBMS-QGZVFWFLSA-N -2 3 315.325 2.218 20 10 DECDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC001602401845 1069627263 /nfs/dbraw/zinc/62/72/63/1069627263.db2.gz FIFIPBHVWSEHET-UHFFFAOYSA-N -3 3 317.319 2.092 20 10 DECDHL O=C([O-])[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001601451065 1077396847 /nfs/dbraw/zinc/39/68/47/1077396847.db2.gz BPYLRBIDUCZOFC-CYBMUJFWSA-N -2 3 321.373 2.499 20 10 DECDHL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000780838521 642678144 /nfs/dbraw/zinc/67/81/44/642678144.db2.gz YWSPQFQKPYLQIA-UHFFFAOYSA-N -3 3 317.319 2.092 20 10 DECDHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000817353419 647273129 /nfs/dbraw/zinc/27/31/29/647273129.db2.gz UBKMANHSODPAMC-SECBINFHSA-N -2 3 323.361 2.473 20 10 DECDHL COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(=O)[O-] ZINC000318922348 970488616 /nfs/dbraw/zinc/48/86/16/970488616.db2.gz NXSIBRFBIBPPCK-UHFFFAOYSA-N -2 3 303.270 2.057 20 10 DECDHL Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc1 ZINC001600620249 1077235241 /nfs/dbraw/zinc/23/52/41/1077235241.db2.gz CDCSXHQNXYBDEZ-UHFFFAOYSA-N -2 3 321.764 2.231 20 10 DECDHL O=C([O-])c1ccc(C(=O)NCc2c([O-])cccc2F)cc1F ZINC001608464477 1077644238 /nfs/dbraw/zinc/64/42/38/1077644238.db2.gz VNHQYVSNZYEMEI-UHFFFAOYSA-N -2 3 307.252 2.299 20 10 DECDHL [O-]c1ccc(Cl)c(F)c1CNC1(c2nnn[n-]2)CCCC1 ZINC000792173670 644084143 /nfs/dbraw/zinc/08/41/43/644084143.db2.gz IDRHOCPLKAOKAW-UHFFFAOYSA-N -2 3 311.748 2.257 20 10 DECDHL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001607451647 1071447372 /nfs/dbraw/zinc/44/73/72/1071447372.db2.gz FZNCOQUNVDTZMD-LLVKDONJSA-N -2 3 315.325 2.213 20 10 DECDHL O=C([O-])/C=C\c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001601873935 1077467189 /nfs/dbraw/zinc/46/71/89/1077467189.db2.gz ABVWRVOAVUWFRY-ALCCZGGFSA-N -2 3 305.261 2.152 20 10 DECDHL O=C([O-])C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC001601905537 1077473605 /nfs/dbraw/zinc/47/36/05/1077473605.db2.gz JBKRZGYSUDKGFA-SECBINFHSA-N -2 3 307.327 2.105 20 10 DECDHL Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c([O-])c1O ZINC000821070131 597668850 /nfs/dbraw/zinc/66/88/50/597668850.db2.gz PXTBQSXHAWYMKA-UHFFFAOYSA-N -2 3 301.298 2.286 20 10 DECDHL CCn1ccnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737302322 600314168 /nfs/dbraw/zinc/31/41/68/600314168.db2.gz DKCXCYWXVFQHMK-UHFFFAOYSA-N -2 3 323.780 2.349 20 10 DECDHL O=C([O-])NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000834191037 605990420 /nfs/dbraw/zinc/99/04/20/605990420.db2.gz YDVYLQFAEIZBMU-UHFFFAOYSA-N -2 3 302.733 2.417 20 10 DECDHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(F)c([O-])cc1Cl ZINC000901962535 642849170 /nfs/dbraw/zinc/84/91/70/642849170.db2.gz HNFZUCVUFKRHPO-ZETCQYMHSA-N -2 3 309.746 2.105 20 10 DECDHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CC1 ZINC000863410743 686493203 /nfs/dbraw/zinc/49/32/03/686493203.db2.gz JNQNKVPCIUQLCK-NSHDSACASA-N -2 3 321.345 2.227 20 10 DECDHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001594727165 957015582 /nfs/dbraw/zinc/01/55/82/957015582.db2.gz RHUQYUCRMKEZFE-OLZOCXBDSA-N -2 3 313.309 2.141 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])cc1Br)C(F)(F)F ZINC001252355341 1142693148 /nfs/dbraw/zinc/69/31/48/1142693148.db2.gz OPNIYPUVDGJJMA-UHFFFAOYSA-N -2 3 320.086 2.416 20 10 DECDHL O=C([O-])c1ccccc1CCC(=O)NCc1c([O-])cccc1F ZINC001601291185 1077373064 /nfs/dbraw/zinc/37/30/64/1077373064.db2.gz FSLVWLRGHGPHJU-UHFFFAOYSA-N -2 3 317.316 2.479 20 10 DECDHL COc1ccccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001259300692 1144086340 /nfs/dbraw/zinc/08/63/40/1144086340.db2.gz XLUDOWUUTBUNOP-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL CC(C)[C@@H](CCN(C)C(=O)c1cc([O-])cs1)NC(=O)[O-] ZINC000824091480 603607574 /nfs/dbraw/zinc/60/75/74/603607574.db2.gz FHDBXCKRALZTLL-SNVBAGLBSA-N -2 3 300.380 2.208 20 10 DECDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000013463980 683846617 /nfs/dbraw/zinc/84/66/17/683846617.db2.gz SHIPILPFYOZWOA-UHFFFAOYSA-N -2 3 311.290 2.030 20 10 DECDHL O=C(Nc1ccc(F)c([O-])c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147884374 791646424 /nfs/dbraw/zinc/64/64/24/791646424.db2.gz QQVSAYBFSSDSCW-UHFFFAOYSA-N -2 3 313.288 2.263 20 10 DECDHL O=S(=O)(Nc1cc(Cl)c([O-])cc1Cl)c1ncc[n-]1 ZINC001190722012 797061981 /nfs/dbraw/zinc/06/19/81/797061981.db2.gz NKPOYPOGKLCJCS-UHFFFAOYSA-N -2 3 308.146 2.223 20 10 DECDHL O=C([O-])[C@H]1CCc2sc(NC(=O)c3cc([O-])cs3)nc2C1 ZINC001601631638 1077420984 /nfs/dbraw/zinc/42/09/84/1077420984.db2.gz TVMMVTWMBXJDMU-LURJTMIESA-N -2 3 324.383 2.352 20 10 DECDHL O=C([O-])[C@]1(F)CCN(Cc2c([O-])cccc2Br)C1 ZINC001601717002 1077439725 /nfs/dbraw/zinc/43/97/25/1077439725.db2.gz MDWCUWVCMNURMF-LBPRGKRZSA-N -2 3 318.142 2.153 20 10 DECDHL Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c([O-])c1O ZINC001610485399 1078027865 /nfs/dbraw/zinc/02/78/65/1078027865.db2.gz YXNWSESLRUKFQV-UHFFFAOYSA-N -2 3 305.261 2.496 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000080357564 600678561 /nfs/dbraw/zinc/67/85/61/600678561.db2.gz DAHZKAAUCLQRMA-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)CNC(=O)[O-])c1[O-] ZINC000823628903 603751797 /nfs/dbraw/zinc/75/17/97/603751797.db2.gz YOPCIKGGTOCMQA-QMMMGPOBSA-N -2 3 314.769 2.336 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CN(C)C(=O)[O-])c1[O-] ZINC000823628297 604227120 /nfs/dbraw/zinc/22/71/20/604227120.db2.gz OQRJURATZWVPTM-CYBMUJFWSA-N -2 3 324.352 2.308 20 10 DECDHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)c([O-])cc1Cl ZINC000901963635 642849985 /nfs/dbraw/zinc/84/99/85/642849985.db2.gz XHEQHORAOHCRPZ-MRVPVSSYSA-N -2 3 323.773 2.496 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000388400437 685428120 /nfs/dbraw/zinc/42/81/20/685428120.db2.gz VGSGCUHDSJDLBF-UHFFFAOYSA-N -2 3 324.314 2.115 20 10 DECDHL Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ncn1 ZINC001610459276 1078023957 /nfs/dbraw/zinc/02/39/57/1078023957.db2.gz AMIFJZXTCJMDCB-UHFFFAOYSA-N -2 3 321.764 2.231 20 10 DECDHL CC(C)[C@H](CCN(C)C(=O)c1cc([O-])cs1)NC(=O)[O-] ZINC000824091479 603607653 /nfs/dbraw/zinc/60/76/53/603607653.db2.gz FHDBXCKRALZTLL-JTQLQIEISA-N -2 3 300.380 2.208 20 10 DECDHL O=C([O-])N[C@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000832136576 603930124 /nfs/dbraw/zinc/93/01/24/603930124.db2.gz UAADVJZKYPHFSP-LLVKDONJSA-N -2 3 306.343 2.192 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCC[C@H]2CN(C)C(=O)[O-])c1[O-] ZINC000823628298 604227080 /nfs/dbraw/zinc/22/70/80/604227080.db2.gz OQRJURATZWVPTM-ZDUSSCGKSA-N -2 3 324.352 2.308 20 10 DECDHL CCc1[nH]c(C(=O)NCc2c([O-])cccc2F)c(C)c1C(=O)[O-] ZINC001597369051 987550428 /nfs/dbraw/zinc/55/04/28/987550428.db2.gz ACBKDZOYNDLJRR-UHFFFAOYSA-N -2 3 320.320 2.358 20 10 DECDHL O=C([O-])c1ccc(/C=C\C(=O)NCc2c([O-])cccc2F)o1 ZINC001601238059 1077363275 /nfs/dbraw/zinc/36/32/75/1077363275.db2.gz YNLKYMLGJZXDSG-ALCCZGGFSA-N -2 3 305.261 2.152 20 10 DECDHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001609639890 1077892918 /nfs/dbraw/zinc/89/29/18/1077892918.db2.gz MRHAYESPFZNVLW-QMTHXVAHSA-N -2 3 315.325 2.290 20 10 DECDHL Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1O ZINC000780993394 642700376 /nfs/dbraw/zinc/70/03/76/642700376.db2.gz HAQMEXNGQVRBLP-UHFFFAOYSA-N -2 3 304.258 2.272 20 10 DECDHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001212007480 780586883 /nfs/dbraw/zinc/58/68/83/780586883.db2.gz HTOSBGZKCKJPKZ-UHFFFAOYSA-N -2 3 314.313 2.362 20 10 DECDHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c([O-])c1O ZINC001600343059 1077183840 /nfs/dbraw/zinc/18/38/40/1077183840.db2.gz QJIXHQSSOWZFAR-UHFFFAOYSA-N -2 3 305.261 2.496 20 10 DECDHL O=S(=O)([N-]Cc1c([O-])cccc1F)c1c(F)cccc1F ZINC001671691796 1081533814 /nfs/dbraw/zinc/53/38/14/1081533814.db2.gz XCNDBNWPJINDRC-UHFFFAOYSA-N -2 3 317.288 2.288 20 10 DECDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000315072832 802446999 /nfs/dbraw/zinc/44/69/99/802446999.db2.gz HVEDUPNOYOBLDH-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Nc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001212010872 780588398 /nfs/dbraw/zinc/58/83/98/780588398.db2.gz DQISMTIRXGMAKG-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001174740362 794058197 /nfs/dbraw/zinc/05/81/97/794058197.db2.gz DSIRJACIAXGLQD-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1N ZINC001215571355 801877453 /nfs/dbraw/zinc/87/74/53/801877453.db2.gz ADLNNCGVCHZXOH-UHFFFAOYSA-N -2 3 314.313 2.362 20 10 DECDHL Cc1cc(C(=O)[O-])cc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001594286163 957780092 /nfs/dbraw/zinc/78/00/92/957780092.db2.gz OGEVKAKAJOOBEI-UHFFFAOYSA-N -2 3 303.289 2.468 20 10 DECDHL Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000738803565 600314971 /nfs/dbraw/zinc/31/49/71/600314971.db2.gz ZDJSAOATTPLZIW-UHFFFAOYSA-N -2 3 321.764 2.231 20 10 DECDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000387417603 685423176 /nfs/dbraw/zinc/42/31/76/685423176.db2.gz FNFYMWMXHXHACH-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=C([O-])/C=C/c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001601873936 1077467253 /nfs/dbraw/zinc/46/72/53/1077467253.db2.gz ABVWRVOAVUWFRY-FNORWQNLSA-N -2 3 305.261 2.152 20 10 DECDHL CC(C)C[C@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001339876879 1143156111 /nfs/dbraw/zinc/15/61/11/1143156111.db2.gz PKNZQCIBAZUIDH-SNVBAGLBSA-N -2 3 312.341 2.077 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNC(=O)[O-])c1[O-] ZINC000823626689 603752201 /nfs/dbraw/zinc/75/22/01/603752201.db2.gz ASAFYQLXIGXNLM-ZDUSSCGKSA-N -2 3 324.352 2.356 20 10 DECDHL Cc1cc(NC(=O)NCc2c([O-])cccc2F)ncc1C(=O)[O-] ZINC001607686934 1071527904 /nfs/dbraw/zinc/52/79/04/1071527904.db2.gz MRZBEYJIKOERSS-UHFFFAOYSA-N -2 3 319.292 2.255 20 10 DECDHL Cc1cc(C=O)c([O-])c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001558457899 1075094551 /nfs/dbraw/zinc/09/45/51/1075094551.db2.gz YOIFEZYLASPCFW-UHFFFAOYSA-N -2 3 303.289 2.288 20 10 DECDHL O=C([O-])CN(CCOCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000739793651 600953789 /nfs/dbraw/zinc/95/37/89/600953789.db2.gz JWLVSVPBEHHGTO-UHFFFAOYSA-N -2 3 313.781 2.359 20 10 DECDHL CC(C)OC[C@H](C(=O)[O-])N(C)Cc1c([O-])cccc1Cl ZINC000833504468 604767034 /nfs/dbraw/zinc/76/70/34/604767034.db2.gz BYWIDOXQEAXKFY-GFCCVEGCSA-N -2 3 301.770 2.356 20 10 DECDHL CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1[O-] ZINC000833505920 605248028 /nfs/dbraw/zinc/24/80/28/605248028.db2.gz OPZIJFFRBLNYBO-GFCCVEGCSA-N -2 3 301.770 2.356 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Cl)nc1 ZINC000085201093 797742822 /nfs/dbraw/zinc/74/28/22/797742822.db2.gz GLCMGNMNHAJJKD-UHFFFAOYSA-N -2 3 302.714 2.381 20 10 DECDHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001215577261 801878887 /nfs/dbraw/zinc/87/88/87/801878887.db2.gz XHOBCNVHKFUMLP-UHFFFAOYSA-N -2 3 318.276 2.193 20 10 DECDHL O=C([O-])CN(Cc1c([O-])cccc1Br)C1CC1 ZINC000706621345 977356684 /nfs/dbraw/zinc/35/66/84/977356684.db2.gz BTVTZVWVVLXDSH-UHFFFAOYSA-N -2 3 300.152 2.204 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001607698786 1071531883 /nfs/dbraw/zinc/53/18/83/1071531883.db2.gz IKSOMYPWORIODF-UHFFFAOYSA-N -2 3 321.354 2.129 20 10 DECDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C(=O)[O-])c1 ZINC001600483298 1077209214 /nfs/dbraw/zinc/20/92/14/1077209214.db2.gz WYCTVDVLGBDPBA-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(O)c2[O-])c1 ZINC001600517522 1077214851 /nfs/dbraw/zinc/21/48/51/1077214851.db2.gz UPGNFNXOZOQLEL-CYBMUJFWSA-N -2 3 315.325 2.352 20 10 DECDHL Nc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)cc1 ZINC000040845223 183141114 /nfs/dbraw/zinc/14/11/14/183141114.db2.gz KFCPLBLWUKHLOU-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL O=C([O-])[C@H]1CCCN1Cc1c([O-])cccc1Br ZINC000706622535 954953127 /nfs/dbraw/zinc/95/31/27/954953127.db2.gz UMABSSPOQVLNRD-SNVBAGLBSA-N -2 3 300.152 2.204 20 10 DECDHL CN(Cc1cc(F)cc(F)c1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598508440 992535089 /nfs/dbraw/zinc/53/50/89/992535089.db2.gz IEAJYVPQTJQJGL-ZDUSSCGKSA-N -2 3 315.316 2.125 20 10 DECDHL Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c([O-])c1O ZINC001607734813 1071540598 /nfs/dbraw/zinc/54/05/98/1071540598.db2.gz IXQFLMMHDOLFEO-UHFFFAOYSA-N -2 3 317.297 2.122 20 10 DECDHL Cc1c(NC(=O)c2cccc(O)c2[O-])ccc(F)c1C(=O)[O-] ZINC001600045728 1077129206 /nfs/dbraw/zinc/12/92/06/1077129206.db2.gz BJIFHJNWDKEJNL-UHFFFAOYSA-N -2 3 305.261 2.496 20 10 DECDHL O=C([O-])C[C@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC001608704251 1077681347 /nfs/dbraw/zinc/68/13/47/1077681347.db2.gz YRJDQSFBNCELGY-VIFPVBQESA-N -2 3 303.330 2.063 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])cc1Br)C(F)F ZINC001259959770 1144164370 /nfs/dbraw/zinc/16/43/70/1144164370.db2.gz XRSCVXUHDWIYLD-UHFFFAOYSA-N -2 3 302.096 2.119 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000315657832 600678669 /nfs/dbraw/zinc/67/86/69/600678669.db2.gz NPRBXTMOIZCGRZ-UHFFFAOYSA-N -2 3 321.354 2.129 20 10 DECDHL O=C(NCc1cccc(Br)c1[O-])c1ncccc1[O-] ZINC000765728523 640812699 /nfs/dbraw/zinc/81/26/99/640812699.db2.gz UYQFVUHZFYQGQK-UHFFFAOYSA-N -2 3 323.146 2.185 20 10 DECDHL [O-]c1c(Cl)cc(Cl)cc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000806557989 645846399 /nfs/dbraw/zinc/84/63/99/645846399.db2.gz OCORCNYRZJJHNT-UHFFFAOYSA-N -2 3 310.144 2.351 20 10 DECDHL CCO[C@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CC1 ZINC000863410742 686493029 /nfs/dbraw/zinc/49/30/29/686493029.db2.gz JNQNKVPCIUQLCK-LLVKDONJSA-N -2 3 321.345 2.227 20 10 DECDHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001212013760 780589171 /nfs/dbraw/zinc/58/91/71/780589171.db2.gz IQGFGZSKHJWTSS-UHFFFAOYSA-N -2 3 318.276 2.193 20 10 DECDHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000317605566 970373164 /nfs/dbraw/zinc/37/31/64/970373164.db2.gz CEEBZHHYFHEVNT-JTQLQIEISA-N -2 3 307.346 2.061 20 10 DECDHL Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)c([O-])c1O ZINC001600344323 1077183681 /nfs/dbraw/zinc/18/36/81/1077183681.db2.gz UFDLSJIYJKDZEV-UHFFFAOYSA-N -2 3 303.270 2.062 20 10 DECDHL O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001601451066 1077396632 /nfs/dbraw/zinc/39/66/32/1077396632.db2.gz BPYLRBIDUCZOFC-ZDUSSCGKSA-N -2 3 321.373 2.499 20 10 DECDHL COc1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001259189216 1144073703 /nfs/dbraw/zinc/07/37/03/1144073703.db2.gz FZKVBWPUXFLYBM-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001260809622 1144209577 /nfs/dbraw/zinc/20/95/77/1144209577.db2.gz KXVJAKKGEQCFEK-UHFFFAOYSA-N -2 3 324.333 2.291 20 10 DECDHL CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1[O-] ZINC000833505921 605248098 /nfs/dbraw/zinc/24/80/98/605248098.db2.gz OPZIJFFRBLNYBO-LBPRGKRZSA-N -2 3 301.770 2.356 20 10 DECDHL COC(C)(C)CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl ZINC000901963324 642848985 /nfs/dbraw/zinc/84/89/85/642848985.db2.gz QQOWGONTVJEDRT-UHFFFAOYSA-N -2 3 311.762 2.351 20 10 DECDHL Cc1nc(C=Cc2ccc(N(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000794714814 644466165 /nfs/dbraw/zinc/46/61/65/644466165.db2.gz SCABLJOFEBEHNR-TWGQIWQCSA-N -2 3 313.357 2.354 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cnccc1Cl ZINC000085201101 797742693 /nfs/dbraw/zinc/74/26/93/797742693.db2.gz IZLKTWKZFYNMCD-UHFFFAOYSA-N -2 3 302.714 2.381 20 10 DECDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)cn1 ZINC001198314050 798313296 /nfs/dbraw/zinc/31/32/96/798313296.db2.gz NEVNQFCGWYTGEK-UHFFFAOYSA-N -2 3 300.286 2.175 20 10 DECDHL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000322527034 951032066 /nfs/dbraw/zinc/03/20/66/951032066.db2.gz VIPWXEYEUOFIEX-LLVKDONJSA-N -2 3 313.309 2.317 20 10 DECDHL CCn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000833681624 604637039 /nfs/dbraw/zinc/63/70/39/604637039.db2.gz AWFSSZAYBOBZIW-UHFFFAOYSA-N -2 3 323.780 2.349 20 10 DECDHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001215575965 801879061 /nfs/dbraw/zinc/87/90/61/801879061.db2.gz HPWVEXOMLQJFPI-UHFFFAOYSA-N -2 3 318.276 2.193 20 10 DECDHL CC1(C)CCC[C@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])C1 ZINC001604529585 1070424121 /nfs/dbraw/zinc/42/41/21/1070424121.db2.gz CQGVMPKWUMUSHD-MRXNPFEDSA-N -2 3 307.346 2.251 20 10 DECDHL Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[O-])C(=O)[O-])cc1 ZINC001600377568 1077190384 /nfs/dbraw/zinc/19/03/84/1077190384.db2.gz QGRXRBDQXSXCHX-ZDUSSCGKSA-N -2 3 315.325 2.004 20 10 DECDHL Cn1cccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001608129357 1077596984 /nfs/dbraw/zinc/59/69/84/1077596984.db2.gz LOJWHURLGADKOQ-UHFFFAOYSA-N -2 3 308.765 2.471 20 10 DECDHL O=C([O-])[C@@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000821509553 604529481 /nfs/dbraw/zinc/52/94/81/604529481.db2.gz PALIEUYZIRYJLD-JTQLQIEISA-N -2 3 300.152 2.204 20 10 DECDHL COC1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738233961 637405150 /nfs/dbraw/zinc/40/51/50/637405150.db2.gz MTLRGWFNLTVSNH-UHFFFAOYSA-N -2 3 313.353 2.159 20 10 DECDHL O=C([O-])[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000756333631 639650715 /nfs/dbraw/zinc/65/07/15/639650715.db2.gz RQOYUBOEHDPNMC-CQSZACIVSA-N -2 3 320.276 2.355 20 10 DECDHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000088715127 646913091 /nfs/dbraw/zinc/91/30/91/646913091.db2.gz CDIYPEXWCSWMEU-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001594727164 957015823 /nfs/dbraw/zinc/01/58/23/957015823.db2.gz RHUQYUCRMKEZFE-CHWSQXEVSA-N -2 3 313.309 2.141 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001596912756 1077084825 /nfs/dbraw/zinc/08/48/25/1077084825.db2.gz RDADRYHWTJVDSK-UHFFFAOYSA-N -2 3 306.249 2.075 20 10 DECDHL O=C([O-])COc1ccccc1CNCc1c([O-])cccc1F ZINC001602095031 1077504785 /nfs/dbraw/zinc/50/47/85/1077504785.db2.gz BXVSTAYRAHPCDZ-UHFFFAOYSA-N -2 3 305.305 2.285 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCC(N(C)C(=O)[O-])CC2)c1[O-] ZINC000823627120 604223721 /nfs/dbraw/zinc/22/37/21/604223721.db2.gz FCAOYVKASXCOKC-UHFFFAOYSA-N -2 3 324.352 2.308 20 10 DECDHL O=C([O-])[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000236442937 604524277 /nfs/dbraw/zinc/52/42/77/604524277.db2.gz DEPAMKFSDNPMCR-SNVBAGLBSA-N -2 3 300.152 2.204 20 10 DECDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1C(=O)[O-] ZINC000314028618 625732867 /nfs/dbraw/zinc/73/28/67/625732867.db2.gz XYXXUORSQQDKGX-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-] ZINC000088715303 684018199 /nfs/dbraw/zinc/01/81/99/684018199.db2.gz WJOMXJULJXKEQY-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001193057618 797500523 /nfs/dbraw/zinc/50/05/23/797500523.db2.gz JZXFYDDZXBPDRL-UHFFFAOYSA-N -2 3 321.782 2.129 20 10 DECDHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c([O-])c(F)c1 ZINC001213386428 801602794 /nfs/dbraw/zinc/60/27/94/801602794.db2.gz BVGTWTAAELHFTF-UHFFFAOYSA-N -2 3 318.276 2.193 20 10 DECDHL CCC(CC)(CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001343057079 962159161 /nfs/dbraw/zinc/15/91/61/962159161.db2.gz VYURQNCIOIGTBA-UHFFFAOYSA-N -2 3 312.341 2.222 20 10 DECDHL Cc1cc(NC(=O)c2cccc(O)c2[O-])nc(C)c1C(=O)[O-] ZINC001600276463 1077174939 /nfs/dbraw/zinc/17/49/39/1077174939.db2.gz XKKDDZINYRHHBH-UHFFFAOYSA-N -2 3 302.286 2.060 20 10 DECDHL O=C([O-])c1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001601287289 1077372256 /nfs/dbraw/zinc/37/22/56/1077372256.db2.gz KPRMOMKDMDBKHQ-UHFFFAOYSA-N -2 3 317.316 2.479 20 10 DECDHL O=S(=O)([N-]CC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387778 1142425495 /nfs/dbraw/zinc/42/54/95/1142425495.db2.gz JSOKWCFEXLFXGF-UHFFFAOYSA-N -2 3 306.117 2.242 20 10 DECDHL CCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1 ZINC000776434197 642172868 /nfs/dbraw/zinc/17/28/68/642172868.db2.gz ADVKOIRIKDPGEY-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=C([O-])CCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000388601806 951336018 /nfs/dbraw/zinc/33/60/18/951336018.db2.gz VYJRSFXOSFRNDL-UHFFFAOYSA-N -2 3 301.298 2.367 20 10 DECDHL CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(O)c1[O-] ZINC001597025852 986433053 /nfs/dbraw/zinc/43/30/53/986433053.db2.gz PGLDWTCZVDYFCF-UHFFFAOYSA-N -2 3 317.297 2.447 20 10 DECDHL Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1C(=O)[O-] ZINC001600340324 1077183243 /nfs/dbraw/zinc/18/32/43/1077183243.db2.gz SZTOSIRLAONXIO-UHFFFAOYSA-N -2 3 303.289 2.468 20 10 DECDHL O=S(=O)([N-][C@@H]1CC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429035 1142432387 /nfs/dbraw/zinc/43/23/87/1142432387.db2.gz HYXNVTHARZLOIK-SSDOTTSWSA-N -2 3 318.128 2.385 20 10 DECDHL O=C([O-])[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715763038 977781333 /nfs/dbraw/zinc/78/13/33/977781333.db2.gz NQLZGUMLKDQCMT-SSDOTTSWSA-N -2 3 318.142 2.200 20 10 DECDHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001258421262 1144005489 /nfs/dbraw/zinc/00/54/89/1144005489.db2.gz JZSOHTATOHVRSM-UHFFFAOYSA-N -2 3 319.745 2.027 20 10 DECDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(F)c3)cc2o1 ZINC001259383534 1144091451 /nfs/dbraw/zinc/09/14/51/1144091451.db2.gz FORVSTUMUOKECX-UHFFFAOYSA-N -2 3 324.289 2.179 20 10 DECDHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CC1 ZINC000901962154 642848847 /nfs/dbraw/zinc/84/88/47/642848847.db2.gz ADKSMCCGGPPTHG-GFCCVEGCSA-N -2 3 323.773 2.351 20 10 DECDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F ZINC000314649142 634997759 /nfs/dbraw/zinc/99/77/59/634997759.db2.gz WZJSZUBPGKTFAR-UHFFFAOYSA-N -2 3 311.290 2.030 20 10 DECDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1 ZINC000795344418 644557042 /nfs/dbraw/zinc/55/70/42/644557042.db2.gz WIYBRQAXAYABQT-UHFFFAOYSA-N -2 3 314.750 2.250 20 10 DECDHL O=C([O-])/C=C/c1cc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001594968435 955079121 /nfs/dbraw/zinc/07/91/21/955079121.db2.gz OFPPQGKRLFHQJY-SNAWJCMRSA-N -2 3 305.261 2.152 20 10 DECDHL O=C([O-])C[C@@H]1CSCCN1Cc1cc(F)cc(F)c1[O-] ZINC000708089116 977414910 /nfs/dbraw/zinc/41/49/10/977414910.db2.gz KBMPNHIWGZGKGQ-SNVBAGLBSA-N -2 3 303.330 2.063 20 10 DECDHL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1O ZINC001607726947 1071538477 /nfs/dbraw/zinc/53/84/77/1071538477.db2.gz GQPUPXMNYAKYMB-GFCCVEGCSA-N -2 3 313.309 2.235 20 10 DECDHL Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC000832986393 601006969 /nfs/dbraw/zinc/00/69/69/601006969.db2.gz VXQCIZKUDQKEAR-UHFFFAOYSA-N -2 3 310.737 2.429 20 10 DECDHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001594727166 957015772 /nfs/dbraw/zinc/01/57/72/957015772.db2.gz RHUQYUCRMKEZFE-QWHCGFSZSA-N -2 3 313.309 2.141 20 10 DECDHL O=C([O-])C1(CCCCNC(=O)c2cccc(O)c2[O-])CCC1 ZINC001601496880 1077404076 /nfs/dbraw/zinc/40/40/76/1077404076.db2.gz IUTXACWRPAZHBV-UHFFFAOYSA-N -2 3 307.346 2.253 20 10 DECDHL COc1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)c1 ZINC001259189370 1144073799 /nfs/dbraw/zinc/07/37/99/1144073799.db2.gz VFIVOTAVMKQYBZ-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL COc1ccsc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000181626357 648715330 /nfs/dbraw/zinc/71/53/30/648715330.db2.gz YEFFDKOCXAWDCA-UHFFFAOYSA-N -2 3 303.336 2.402 20 10 DECDHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(O)c1[O-] ZINC001148220036 791714384 /nfs/dbraw/zinc/71/43/84/791714384.db2.gz MPBOTJVPZUGAOV-UHFFFAOYSA-N -2 3 311.297 2.241 20 10 DECDHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001215571763 801877480 /nfs/dbraw/zinc/87/74/80/801877480.db2.gz LUWZSIXAHMVMQS-UHFFFAOYSA-N -2 3 314.313 2.362 20 10 DECDHL CCn1cncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001597922665 989852527 /nfs/dbraw/zinc/85/25/27/989852527.db2.gz BENAAPDNRUTPLO-UHFFFAOYSA-N -2 3 323.780 2.349 20 10 DECDHL CN(Cc1cc(F)cc(F)c1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598508439 992534670 /nfs/dbraw/zinc/53/46/70/992534670.db2.gz IEAJYVPQTJQJGL-CYBMUJFWSA-N -2 3 315.316 2.125 20 10 DECDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1 ZINC000085201021 1079111396 /nfs/dbraw/zinc/11/13/96/1079111396.db2.gz MCSHQRVLISYNEC-UHFFFAOYSA-N -2 3 311.290 2.030 20 10 DECDHL Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000738382526 600315089 /nfs/dbraw/zinc/31/50/89/600315089.db2.gz JNJXYJAIFNXCIR-UHFFFAOYSA-N -2 3 310.737 2.429 20 10 DECDHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC000758168789 639922298 /nfs/dbraw/zinc/92/22/98/639922298.db2.gz GVAFRNZNRMSXHU-UHFFFAOYSA-N -2 3 302.352 2.405 20 10 DECDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnncc1[O-] ZINC001638306409 1078557330 /nfs/dbraw/zinc/55/73/30/1078557330.db2.gz ZTIBMCDMLHOHSK-UHFFFAOYSA-N -2 3 314.128 2.125 20 10 DECDHL CC(C)(NCc1cc(F)cc(F)c1[O-])c1cc(C(=O)[O-])on1 ZINC001603682282 1070041098 /nfs/dbraw/zinc/04/10/98/1070041098.db2.gz XOBSGJYLTFGGKD-UHFFFAOYSA-N -2 3 312.272 2.382 20 10 DECDHL Cc1cc([O-])c(CN[C@H](C(=O)[O-])c2ccn(C)n2)cc1Cl ZINC001607700026 1071532615 /nfs/dbraw/zinc/53/26/15/1071532615.db2.gz QUDSCWPJDROBGX-ZDUSSCGKSA-N -2 3 309.753 2.003 20 10 DECDHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(O)c1[O-] ZINC001600289359 1077177047 /nfs/dbraw/zinc/17/70/47/1077177047.db2.gz BJSWYSSEUHXHKC-UHFFFAOYSA-N -2 3 317.297 2.122 20 10 DECDHL O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1[O-])CC1CCCC1 ZINC001601458069 1077397772 /nfs/dbraw/zinc/39/77/72/1077397772.db2.gz GNMQKXGFNQICDF-LLVKDONJSA-N -2 3 307.346 2.109 20 10 DECDHL Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c([O-])c1O ZINC000821070239 597668944 /nfs/dbraw/zinc/66/89/44/597668944.db2.gz SFPMOHPUJSOAMT-UHFFFAOYSA-N -2 3 301.298 2.286 20 10 DECDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000775289682 642024205 /nfs/dbraw/zinc/02/42/05/642024205.db2.gz ZJEYMHRDYPDSEP-UHFFFAOYSA-N -2 3 324.314 2.110 20 10 DECDHL CO[C@@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C(C)C ZINC000842585639 650771838 /nfs/dbraw/zinc/77/18/38/650771838.db2.gz DBQAOHKIRYOQCL-JTQLQIEISA-N -2 3 309.334 2.083 20 10 DECDHL CO[C@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C(C)C ZINC000842585640 650772089 /nfs/dbraw/zinc/77/20/89/650772089.db2.gz DBQAOHKIRYOQCL-SNVBAGLBSA-N -2 3 309.334 2.083 20 10 DECDHL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CC1 ZINC000901962155 642848434 /nfs/dbraw/zinc/84/84/34/642848434.db2.gz ADKSMCCGGPPTHG-LBPRGKRZSA-N -2 3 323.773 2.351 20 10 DECDHL O=S(=O)(CCOCC1CCC1)[N-]c1ccc([O-])c(F)c1F ZINC000872373807 688989601 /nfs/dbraw/zinc/98/96/01/688989601.db2.gz RHNUGUXZEMTOCM-UHFFFAOYSA-N -2 3 321.345 2.229 20 10 DECDHL CN(C(=O)c1cc([O-])cs1)c1ccc(OCC(=O)[O-])cc1 ZINC001598079090 990391375 /nfs/dbraw/zinc/39/13/75/990391375.db2.gz RNMPEBUDVSHSIH-UHFFFAOYSA-N -2 3 307.327 2.194 20 10 DECDHL COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1C(=O)[O-] ZINC001599442259 997948757 /nfs/dbraw/zinc/94/87/57/997948757.db2.gz OKDMGBZHJXAKPU-UHFFFAOYSA-N -2 3 317.297 2.365 20 10 DECDHL Cc1nc(C)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])[nH]1 ZINC001600692304 1077249059 /nfs/dbraw/zinc/24/90/59/1077249059.db2.gz KZPMBEXYVOAVGU-UHFFFAOYSA-N -2 3 323.780 2.472 20 10 DECDHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000777636178 642290793 /nfs/dbraw/zinc/29/07/93/642290793.db2.gz PTHKORYTJMXYNC-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001212016175 780590097 /nfs/dbraw/zinc/59/00/97/780590097.db2.gz BMWYPSBTTPQKGP-UHFFFAOYSA-N -2 3 318.276 2.193 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc2nccnc21 ZINC001194976590 797809527 /nfs/dbraw/zinc/80/95/27/797809527.db2.gz IZYFJIXRPWXSHQ-UHFFFAOYSA-N -2 3 319.317 2.275 20 10 DECDHL CC(C)(NCc1cc(F)c(F)cc1[O-])c1cc(C(=O)[O-])on1 ZINC001590871297 990776689 /nfs/dbraw/zinc/77/66/89/990776689.db2.gz MJHKHKMYGGENCV-UHFFFAOYSA-N -2 3 312.272 2.382 20 10 DECDHL CC(C)C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001339876878 1143154698 /nfs/dbraw/zinc/15/46/98/1143154698.db2.gz PKNZQCIBAZUIDH-JTQLQIEISA-N -2 3 312.341 2.077 20 10 DECDHL Nc1ccccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001193932417 797644548 /nfs/dbraw/zinc/64/45/48/797644548.db2.gz NXVAWRUIEDMDFD-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cn1 ZINC001198318477 798315042 /nfs/dbraw/zinc/31/50/42/798315042.db2.gz RQQFAKZBFMKFCA-UHFFFAOYSA-N -2 3 300.286 2.175 20 10 DECDHL CC(C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229786557 801319907 /nfs/dbraw/zinc/31/99/07/801319907.db2.gz OEDMLLNNYCQDFY-UHFFFAOYSA-N -2 3 320.297 2.233 20 10 DECDHL O=C([O-])[C@H](CNC(=O)c1cccc(O)c1[O-])CC1CCCC1 ZINC001601458070 1077397427 /nfs/dbraw/zinc/39/74/27/1077397427.db2.gz GNMQKXGFNQICDF-NSHDSACASA-N -2 3 307.346 2.109 20 10 DECDHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001602276483 1077540846 /nfs/dbraw/zinc/54/08/46/1077540846.db2.gz BWXNHZMMTSELHZ-UHFFFAOYSA-N -2 3 311.290 2.030 20 10 DECDHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001609639889 1077892821 /nfs/dbraw/zinc/89/28/21/1077892821.db2.gz MRHAYESPFZNVLW-IINYFYTJSA-N -2 3 315.325 2.290 20 10 DECDHL O=S(=O)([N-]Cc1cc(Cl)c2cccnc2c1[O-])C(F)F ZINC001259962381 1144165055 /nfs/dbraw/zinc/16/50/55/1144165055.db2.gz IMLGRIWASYGJIM-UHFFFAOYSA-N -2 3 322.720 2.236 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1O ZINC000833746955 605203001 /nfs/dbraw/zinc/20/30/01/605203001.db2.gz MOKHKWBYNCHFAL-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL O=C([O-])c1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC001605808699 972527090 /nfs/dbraw/zinc/52/70/90/972527090.db2.gz YDTGCQVEJVGNKR-UHFFFAOYSA-N -2 3 318.304 2.229 20 10 DECDHL COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C(=O)[O-])c1 ZINC001599596366 993753801 /nfs/dbraw/zinc/75/38/01/993753801.db2.gz UCVMUJBYOSAJDZ-UHFFFAOYSA-N -2 3 317.297 2.365 20 10 DECDHL CC1(C)CCC[C@@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])C1 ZINC001604529584 1070424362 /nfs/dbraw/zinc/42/43/62/1070424362.db2.gz CQGVMPKWUMUSHD-INIZCTEOSA-N -2 3 307.346 2.251 20 10 DECDHL Cc1n[nH]c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C ZINC001607500736 1071462182 /nfs/dbraw/zinc/46/21/82/1071462182.db2.gz WTHJCDONIYIRDP-UHFFFAOYSA-N -2 3 323.780 2.472 20 10 DECDHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1O ZINC001607727099 1071537807 /nfs/dbraw/zinc/53/78/07/1071537807.db2.gz GQPUPXMNYAKYMB-LBPRGKRZSA-N -2 3 313.309 2.235 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1s[n-]c(=O)c1Cl ZINC001456029995 1057807818 /nfs/dbraw/zinc/80/78/18/1057807818.db2.gz PJZZKAYFIVLQMS-UHFFFAOYSA-N -2 3 302.714 2.277 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001558455496 1075094495 /nfs/dbraw/zinc/09/44/95/1075094495.db2.gz VGUFKSMMSBVCQU-UHFFFAOYSA-N -2 3 306.249 2.075 20 10 DECDHL CCCN(C(=O)c1cc([O-])cs1)C1CCN(C(=O)[O-])CC1 ZINC000826884653 605821126 /nfs/dbraw/zinc/82/11/26/605821126.db2.gz SSLMOBCKUBLICN-UHFFFAOYSA-N -2 3 312.391 2.448 20 10 DECDHL Cc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1 ZINC000753522512 639308206 /nfs/dbraw/zinc/30/82/06/639308206.db2.gz SITNJMBPZASVEG-UHFFFAOYSA-N -2 3 308.315 2.410 20 10 DECDHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758169396 639922104 /nfs/dbraw/zinc/92/21/04/639922104.db2.gz RRPPZOZLQGACFR-UHFFFAOYSA-N -2 3 313.354 2.185 20 10 DECDHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(F)c([O-])cc1Cl ZINC000901962453 642849098 /nfs/dbraw/zinc/84/90/98/642849098.db2.gz HNFZUCVUFKRHPO-SSDOTTSWSA-N -2 3 309.746 2.105 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(Cl)cn1 ZINC001196237260 798029916 /nfs/dbraw/zinc/02/99/16/798029916.db2.gz OEKJVNFTKMDVOL-UHFFFAOYSA-N -2 3 302.714 2.381 20 10 DECDHL COc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001196761537 798099778 /nfs/dbraw/zinc/09/97/78/798099778.db2.gz QDMHWIBRCVWLLZ-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000790417467 643849837 /nfs/dbraw/zinc/84/98/37/643849837.db2.gz KIKOCVDSLLWHGN-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000844661353 651152259 /nfs/dbraw/zinc/15/22/59/651152259.db2.gz YEZBPOBOXILKHO-LBPRGKRZSA-N -2 3 319.354 2.005 20 10 DECDHL O=S(=O)(CCC(F)(F)F)[N-]c1cc(F)c([O-])cc1F ZINC001259872444 1144150600 /nfs/dbraw/zinc/15/06/00/1144150600.db2.gz VUIYTVWTWZNZES-UHFFFAOYSA-N -2 3 305.224 2.365 20 10 DECDHL O=C(NCc1cccc(Cl)c1[O-])C(=O)c1ccc([O-])cc1 ZINC001305084878 1147365867 /nfs/dbraw/zinc/36/58/67/1147365867.db2.gz ONWYTQRSSXAURT-UHFFFAOYSA-N -2 3 305.717 2.250 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1O ZINC000317005031 635098874 /nfs/dbraw/zinc/09/88/74/635098874.db2.gz PBEAARCHMAEXNE-UHFFFAOYSA-N -2 3 321.354 2.129 20 10 DECDHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1ccc(O)c([O-])c1Cl ZINC001193219929 797524056 /nfs/dbraw/zinc/52/40/56/797524056.db2.gz NRMDTLXFWPOATA-UHFFFAOYSA-N -2 3 316.100 2.153 20 10 DECDHL O=C([O-])CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000318849422 970480625 /nfs/dbraw/zinc/48/06/25/970480625.db2.gz ZXDAZODJNIIPHN-UHFFFAOYSA-N -2 3 301.298 2.367 20 10 DECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C1CCCC1 ZINC001259801336 1144132966 /nfs/dbraw/zinc/13/29/66/1144132966.db2.gz AYABPSUTMICEHL-UHFFFAOYSA-N -2 3 317.338 2.002 20 10 DECDHL O=S(=O)(CCC(F)(F)F)[N-]c1ccc([O-])c(F)c1F ZINC001259871544 1144149556 /nfs/dbraw/zinc/14/95/56/1144149556.db2.gz JUFOTFUFXCSVDH-UHFFFAOYSA-N -2 3 305.224 2.365 20 10 DECDHL O=C(COC(=O)c1ccc([O-])c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000916591244 647882911 /nfs/dbraw/zinc/88/29/11/647882911.db2.gz VXGNIVXBQIQQQJ-UHFFFAOYSA-N -2 3 322.700 2.497 20 10 DECDHL CC(=O)c1cc(F)c([O-])c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001156201574 797946923 /nfs/dbraw/zinc/94/69/23/797946923.db2.gz URRRXCPHYYHYHB-UHFFFAOYSA-N -2 3 305.261 2.397 20 10 DECDHL Cc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])c([O-])c1O ZINC001600335199 1077182052 /nfs/dbraw/zinc/18/20/52/1077182052.db2.gz ZRMPIRKVPIFYJU-UHFFFAOYSA-N -2 3 313.309 2.307 20 10 DECDHL COc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001259188955 1144073862 /nfs/dbraw/zinc/07/38/62/1144073862.db2.gz WWVZPVQQUCEIMX-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc(Cl)c1[O-] ZINC001216086720 801936176 /nfs/dbraw/zinc/93/61/76/801936176.db2.gz FOFMNEXJRQKYBK-UHFFFAOYSA-N -2 3 313.766 2.132 20 10 DECDHL Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c([O-])c1O ZINC001607734202 1071540722 /nfs/dbraw/zinc/54/07/22/1071540722.db2.gz QJMRVUPBLLEKRL-UHFFFAOYSA-N -2 3 303.270 2.062 20 10 DECDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1 ZINC001251933890 1142553179 /nfs/dbraw/zinc/55/31/79/1142553179.db2.gz JEIVERLIDVDVBH-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL O=C([O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000756333630 639651203 /nfs/dbraw/zinc/65/12/03/639651203.db2.gz RQOYUBOEHDPNMC-AWEZNQCLSA-N -2 3 320.276 2.355 20 10 DECDHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115172 646034755 /nfs/dbraw/zinc/03/47/55/646034755.db2.gz RRHKREAQJILTLQ-QMMMGPOBSA-N -2 3 323.773 2.353 20 10 DECDHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cn1 ZINC000830184443 649405445 /nfs/dbraw/zinc/40/54/45/649405445.db2.gz GGJDSXVMOXRPPD-UHFFFAOYSA-N -2 3 317.317 2.249 20 10 DECDHL O=C([O-])c1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001594768810 953545373 /nfs/dbraw/zinc/54/53/73/953545373.db2.gz FFKWAGLEHKEMQA-UHFFFAOYSA-N -2 3 318.304 2.229 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001558454370 1075094518 /nfs/dbraw/zinc/09/45/18/1075094518.db2.gz FXHMIEBBXLOIRF-UHFFFAOYSA-N -2 3 306.249 2.075 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC001558454814 1075094755 /nfs/dbraw/zinc/09/47/55/1075094755.db2.gz MXSXUSIOQYSUFQ-UHFFFAOYSA-N -2 3 306.249 2.075 20 10 DECDHL O=C([O-])Cc1occc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001602155061 1077517226 /nfs/dbraw/zinc/51/72/26/1077517226.db2.gz BEFJKYIPNNKFPY-UHFFFAOYSA-N -2 3 321.676 2.349 20 10 DECDHL COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001260649368 1144194095 /nfs/dbraw/zinc/19/40/95/1144194095.db2.gz XEYMOWAIGBPNIJ-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL O=C([O-])[C@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000821509554 604529806 /nfs/dbraw/zinc/52/98/06/604529806.db2.gz PALIEUYZIRYJLD-SNVBAGLBSA-N -2 3 300.152 2.204 20 10 DECDHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)c([O-])cc1Cl ZINC000901963636 642850100 /nfs/dbraw/zinc/85/01/00/642850100.db2.gz XHEQHORAOHCRPZ-QMMMGPOBSA-N -2 3 323.773 2.496 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccnc1Cl ZINC000085201097 797742682 /nfs/dbraw/zinc/74/26/82/797742682.db2.gz SQDNXUPUNHAQEJ-UHFFFAOYSA-N -2 3 302.714 2.381 20 10 DECDHL O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccccc1[O-] ZINC001657351153 1080171196 /nfs/dbraw/zinc/17/11/96/1080171196.db2.gz CKTJPORKTWAVKP-UHFFFAOYSA-N -2 3 313.762 2.230 20 10 DECDHL Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006859133 181398255 /nfs/dbraw/zinc/39/82/55/181398255.db2.gz QUPGMOVJFFBDEK-UHFFFAOYSA-N -2 3 308.315 2.410 20 10 DECDHL CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)[O-])c1[O-] ZINC000823626688 603752174 /nfs/dbraw/zinc/75/21/74/603752174.db2.gz ASAFYQLXIGXNLM-CYBMUJFWSA-N -2 3 324.352 2.356 20 10 DECDHL CCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000757655087 639864434 /nfs/dbraw/zinc/86/44/34/639864434.db2.gz IZDGIRHUGKPHPA-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=S(=O)(Cc1ccccn1)[N-]c1cc(F)c([O-])cc1F ZINC001197829426 798251374 /nfs/dbraw/zinc/25/13/74/798251374.db2.gz RSRAPIDZTSTGIX-UHFFFAOYSA-N -2 3 300.286 2.007 20 10 DECDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cn1 ZINC001198305613 798312014 /nfs/dbraw/zinc/31/20/14/798312014.db2.gz MFDRUJNMBUFEPV-UHFFFAOYSA-N -2 3 300.286 2.175 20 10 DECDHL O=C([O-])/C=C\c1cc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001594968434 955079544 /nfs/dbraw/zinc/07/95/44/955079544.db2.gz OFPPQGKRLFHQJY-PLNGDYQASA-N -2 3 305.261 2.152 20 10 DECDHL O=C([O-])c1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)o1 ZINC001610822521 1078081712 /nfs/dbraw/zinc/08/17/12/1078081712.db2.gz NKMLHEBZMVBERV-UHFFFAOYSA-N -2 3 307.649 2.420 20 10 DECDHL COc1ccc(NC(=O)c2cccc(O)c2[O-])c(C(=O)[O-])c1 ZINC000388523497 972174233 /nfs/dbraw/zinc/17/42/33/972174233.db2.gz JKQDHIIUESFKFD-UHFFFAOYSA-N -2 3 303.270 2.057 20 10 DECDHL O=C([O-])[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000236433573 604524020 /nfs/dbraw/zinc/52/40/20/604524020.db2.gz DEPAMKFSDNPMCR-JTQLQIEISA-N -2 3 300.152 2.204 20 10 DECDHL CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1c([O-])cccc1Cl ZINC000833504470 604767073 /nfs/dbraw/zinc/76/70/73/604767073.db2.gz BYWIDOXQEAXKFY-LBPRGKRZSA-N -2 3 301.770 2.356 20 10 DECDHL O=C([O-])NC[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834225714 605992550 /nfs/dbraw/zinc/99/25/50/605992550.db2.gz QITHOUMZIBNLMP-MRVPVSSYSA-N -2 3 302.733 2.274 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cccc(Cl)n1 ZINC001198231360 798300976 /nfs/dbraw/zinc/30/09/76/798300976.db2.gz KXTJFAZQULFDHS-UHFFFAOYSA-N -2 3 302.714 2.381 20 10 DECDHL CC1(C(=O)[O-])CN(Cc2cccc(Br)c2[O-])C1 ZINC001593807985 996539951 /nfs/dbraw/zinc/53/99/51/996539951.db2.gz JFTJWBZESJVPKQ-UHFFFAOYSA-N -2 3 300.152 2.061 20 10 DECDHL Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[O-])C(=O)[O-])cc1 ZINC001600377567 1077190354 /nfs/dbraw/zinc/19/03/54/1077190354.db2.gz QGRXRBDQXSXCHX-CYBMUJFWSA-N -2 3 315.325 2.004 20 10 DECDHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001609639888 1077892850 /nfs/dbraw/zinc/89/28/50/1077892850.db2.gz MRHAYESPFZNVLW-HZMBPMFUSA-N -2 3 315.325 2.290 20 10 DECDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1 ZINC000013463993 683846558 /nfs/dbraw/zinc/84/65/58/683846558.db2.gz IMDSWVAILCNAFW-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000315541230 802473982 /nfs/dbraw/zinc/47/39/82/802473982.db2.gz ALKMYPLJURNRHY-UHFFFAOYSA-N -2 3 324.314 2.115 20 10 DECDHL O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cc([O-])cs3)nc2C1 ZINC001601631641 1077420916 /nfs/dbraw/zinc/42/09/16/1077420916.db2.gz TVMMVTWMBXJDMU-ZCFIWIBFSA-N -2 3 324.383 2.352 20 10 DECDHL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001609639891 1077892709 /nfs/dbraw/zinc/89/27/09/1077892709.db2.gz MRHAYESPFZNVLW-YGRLFVJLSA-N -2 3 315.325 2.290 20 10 DECDHL COc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001259299848 1144086278 /nfs/dbraw/zinc/08/62/78/1144086278.db2.gz LVQOLYPLMVFLFO-UHFFFAOYSA-N -2 3 315.297 2.480 20 10 DECDHL Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nn1C ZINC000832881690 604673113 /nfs/dbraw/zinc/67/31/13/604673113.db2.gz JWRMOAWPXBRYDO-UHFFFAOYSA-N -2 3 323.780 2.174 20 10 DECDHL O=[N+]([O-])c1ccc([O-])c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826498840 608873259 /nfs/dbraw/zinc/87/32/59/608873259.db2.gz LRPZTKZWSJSXID-UHFFFAOYSA-N -2 3 312.289 2.093 20 10 DECDHL O=[N+]([O-])c1ccc([O-])c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826498840 608873262 /nfs/dbraw/zinc/87/32/62/608873262.db2.gz LRPZTKZWSJSXID-UHFFFAOYSA-N -2 3 312.289 2.093 20 10 DECDHL Nc1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001215573679 801878646 /nfs/dbraw/zinc/87/86/46/801878646.db2.gz NKSZQNVWMIIARR-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL O=C([O-])[C@H]1CCN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000322527035 951031108 /nfs/dbraw/zinc/03/11/08/951031108.db2.gz VIPWXEYEUOFIEX-NSHDSACASA-N -2 3 313.309 2.317 20 10 DECDHL Cc1n[nH]c(C)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600671188 1077244996 /nfs/dbraw/zinc/24/49/96/1077244996.db2.gz XHXZEZAQFJPDKP-UHFFFAOYSA-N -2 3 323.780 2.472 20 10 DECDHL O=C([O-])c1ccc(/C=C/C(=O)NCc2c([O-])cccc2F)o1 ZINC001601238062 1077362989 /nfs/dbraw/zinc/36/29/89/1077362989.db2.gz YNLKYMLGJZXDSG-FNORWQNLSA-N -2 3 305.261 2.152 20 10 DECDHL O=S(=O)([N-][C@H]1CC1(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429036 1142431943 /nfs/dbraw/zinc/43/19/43/1142431943.db2.gz HYXNVTHARZLOIK-ZETCQYMHSA-N -2 3 318.128 2.385 20 10 DECDHL CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)CNC(=O)[O-])c1[O-] ZINC000823628902 603752164 /nfs/dbraw/zinc/75/21/64/603752164.db2.gz YOPCIKGGTOCMQA-MRVPVSSYSA-N -2 3 314.769 2.336 20 10 DECDHL O=C(NCc1c([O-])cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001638864083 1078584665 /nfs/dbraw/zinc/58/46/65/1078584665.db2.gz UMABPPZWHNALNO-UHFFFAOYSA-N -2 3 306.249 2.075 20 10 DECDHL Nc1ncccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001601221695 1077359452 /nfs/dbraw/zinc/35/94/52/1077359452.db2.gz MTDDHVYPWDGOOM-UHFFFAOYSA-N -2 3 321.764 2.110 20 10 DECDHL O=C([O-])NC[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834225717 605992076 /nfs/dbraw/zinc/99/20/76/605992076.db2.gz QITHOUMZIBNLMP-QMMMGPOBSA-N -2 3 302.733 2.274 20 10 DECDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000013464094 625120063 /nfs/dbraw/zinc/12/00/63/625120063.db2.gz GUGLLRMATNAICZ-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL COC1(CS(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)CCC1 ZINC000901962231 642848625 /nfs/dbraw/zinc/84/86/25/642848625.db2.gz DAXGSLURHACGGN-UHFFFAOYSA-N -2 3 323.773 2.496 20 10 DECDHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000817353421 647273205 /nfs/dbraw/zinc/27/32/05/647273205.db2.gz UBKMANHSODPAMC-VIFPVBQESA-N -2 3 323.361 2.473 20 10 DECDHL O=C([O-])N[C@@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000832136577 603930142 /nfs/dbraw/zinc/93/01/42/603930142.db2.gz UAADVJZKYPHFSP-NSHDSACASA-N -2 3 306.343 2.192 20 10 DECDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1F ZINC000013362351 625109153 /nfs/dbraw/zinc/10/91/53/625109153.db2.gz PNUZTXVPCIBFGV-UHFFFAOYSA-N -2 3 311.290 2.030 20 10 DECDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000113457271 651729638 /nfs/dbraw/zinc/72/96/38/651729638.db2.gz YBGLMJCTGJCMNG-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc2nccnc2c1 ZINC001198145139 798289188 /nfs/dbraw/zinc/28/91/88/798289188.db2.gz PWVJKKZRDJELNE-UHFFFAOYSA-N -2 3 319.317 2.275 20 10 DECDHL Cc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c([O-])c1O ZINC001600344606 1077183813 /nfs/dbraw/zinc/18/38/13/1077183813.db2.gz GUSIKHZSWJQTDA-UHFFFAOYSA-N -2 3 322.342 2.132 20 10 DECDHL O=C([O-])c1cc(F)cc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001602272333 1077540099 /nfs/dbraw/zinc/54/00/99/1077540099.db2.gz YPEVQNVMPRFURN-UHFFFAOYSA-N -2 3 307.252 2.299 20 10 DECDHL O=C([O-])C[C@@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC001608704250 1077681153 /nfs/dbraw/zinc/68/11/53/1077681153.db2.gz YRJDQSFBNCELGY-SECBINFHSA-N -2 3 303.330 2.063 20 10 DECDHL O=S(=O)(Cc1cccnc1)[N-]c1ccc([O-])c(F)c1F ZINC001197453725 798195745 /nfs/dbraw/zinc/19/57/45/798195745.db2.gz CJVKWKMUHWEORZ-UHFFFAOYSA-N -2 3 300.286 2.007 20 10 DECDHL O=C([O-])c1ccc2c(c1)N(C(=O)c1cccc(O)c1[O-])CCC2 ZINC001602422563 1069633829 /nfs/dbraw/zinc/63/38/29/1069633829.db2.gz CBCFCDURWSZFBX-UHFFFAOYSA-N -2 3 313.309 2.389 20 10 DECDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1O ZINC000148135924 604827582 /nfs/dbraw/zinc/82/75/82/604827582.db2.gz AUXRQVFNXYKZQA-UHFFFAOYSA-N -2 3 307.327 2.200 20 10 DECDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744892 642203155 /nfs/dbraw/zinc/20/31/55/642203155.db2.gz QISDIXVHVSSBTA-UHFFFAOYSA-N -2 3 324.314 2.115 20 10 DECDHL Nc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001193924347 797652615 /nfs/dbraw/zinc/65/26/15/797652615.db2.gz KUTCBPTWVJZCKT-UHFFFAOYSA-N -2 3 300.286 2.053 20 10 DECDHL O=C([O-])CC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000318310196 970425465 /nfs/dbraw/zinc/42/54/65/970425465.db2.gz PAJZTLPWJPKKFW-UHFFFAOYSA-N -2 3 307.346 2.253 20 10 DECDHL Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c([O-])c1O ZINC001600334432 1077182048 /nfs/dbraw/zinc/18/20/48/1077182048.db2.gz ZBHHBGBLQIHIQI-UHFFFAOYSA-N -2 3 313.309 2.307 20 10 DECDHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000013079269 625084734 /nfs/dbraw/zinc/08/47/34/625084734.db2.gz MBDDUWWINNSHTD-UHFFFAOYSA-N -2 3 321.354 2.210 20 10 DECDHL O=C([O-])[C@@]1(F)CCN(Cc2c([O-])cccc2Br)C1 ZINC001601717001 1077439426 /nfs/dbraw/zinc/43/94/26/1077439426.db2.gz MDWCUWVCMNURMF-GFCCVEGCSA-N -2 3 318.142 2.153 20 10 DECDHL Cc1nc(C=Cc2ccc(N(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000794714810 644466094 /nfs/dbraw/zinc/46/60/94/644466094.db2.gz SCABLJOFEBEHNR-RMKNXTFCSA-N -2 3 313.357 2.354 20 10 DECDHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000844661351 651152127 /nfs/dbraw/zinc/15/21/27/651152127.db2.gz YEZBPOBOXILKHO-GFCCVEGCSA-N -2 3 319.354 2.005 20 10 DECDHL CO[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000703775679 977196076 /nfs/dbraw/zinc/19/60/76/977196076.db2.gz DSWAPWCKLWNMBP-CYBMUJFWSA-N -2 3 320.172 2.375 20 10 DECDHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115171 646034677 /nfs/dbraw/zinc/03/46/77/646034677.db2.gz RRHKREAQJILTLQ-MRVPVSSYSA-N -2 3 323.773 2.353 20 10 DECDHL O=S(=O)(Cc1ccccn1)[N-]c1ccc([O-])c(F)c1F ZINC001197823987 798249882 /nfs/dbraw/zinc/24/98/82/798249882.db2.gz BUCARXGSNODZJE-UHFFFAOYSA-N -2 3 300.286 2.007 20 10 DECDHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000317605568 970372792 /nfs/dbraw/zinc/37/27/92/970372792.db2.gz CEEBZHHYFHEVNT-SNVBAGLBSA-N -2 3 307.346 2.061 20 10 DECDHL CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([O-])cc1[O-] ZINC001568737756 1065090020 /nfs/dbraw/zinc/09/00/20/1065090020.db2.gz LOVNSCFYYJWDCI-UHFFFAOYSA-N -2 3 308.330 2.219 20 10 DECDHL Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c([O-])c1O ZINC001600344073 1077183674 /nfs/dbraw/zinc/18/36/74/1077183674.db2.gz UIIBDAQBIIQQOT-UHFFFAOYSA-N -2 3 301.298 2.286 20 10 DECDHL Nc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC001601216302 1077358417 /nfs/dbraw/zinc/35/84/17/1077358417.db2.gz VAJDKFDMPZQGIP-UHFFFAOYSA-N -2 3 321.764 2.110 20 10 DECDHL Cc1ncoc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600757803 1077264753 /nfs/dbraw/zinc/26/47/53/1077264753.db2.gz DKWBKIXYKVAQBT-UHFFFAOYSA-N -2 3 310.737 2.429 20 10 DECDHL Cc1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000738883834 600314813 /nfs/dbraw/zinc/31/48/13/600314813.db2.gz QKIVEBAMSPITPW-UHFFFAOYSA-N -2 3 321.764 2.231 20 10 DECDHL Cc1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cnn1C ZINC000832853631 604473754 /nfs/dbraw/zinc/47/37/54/604473754.db2.gz PHOZLYFNTPYYLX-UHFFFAOYSA-N -2 3 323.780 2.174 20 10 DECDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000790411633 643848685 /nfs/dbraw/zinc/84/86/85/643848685.db2.gz LKPGNMXWTBWTQY-UHFFFAOYSA-N -2 3 321.354 2.454 20 10 DECDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1[O-] ZINC000076918747 683948279 /nfs/dbraw/zinc/94/82/79/683948279.db2.gz IOXNWSWTWRZPRR-UHFFFAOYSA-N -2 3 313.353 2.161 20 10 DECDHL