smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C ZINC000071415351 398611741 /nfs/dbraw/zinc/61/17/41/398611741.db2.gz JXCMSSBVWQORIZ-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000270013569 542962859 /nfs/dbraw/zinc/96/28/59/542962859.db2.gz SFAIWVWCPXJBKM-UHFFFAOYSA-N -2 1 322.386 2.624 20 0 DFADML CCn1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000271029292 542964966 /nfs/dbraw/zinc/96/49/66/542964966.db2.gz HVMZCYSVZBKQIM-UHFFFAOYSA-N -2 1 322.386 2.624 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000356269353 147629354 /nfs/dbraw/zinc/62/93/54/147629354.db2.gz DLOYAFVYTRTVIE-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCCc1nc(=NC(=O)Nc2ccc([O-])c(Cl)c2)s[n-]1 ZINC000350862701 286095606 /nfs/dbraw/zinc/09/56/06/286095606.db2.gz GDUKUTVFKLESTG-UHFFFAOYSA-N -2 1 312.782 2.916 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000357015826 158348099 /nfs/dbraw/zinc/34/80/99/158348099.db2.gz FGDIWFXMFIMWAZ-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000111278951 426045062 /nfs/dbraw/zinc/04/50/62/426045062.db2.gz GFPDBECBNZDZPR-UHFFFAOYSA-N -2 1 311.746 2.839 20 0 DFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000089750341 426305465 /nfs/dbraw/zinc/30/54/65/426305465.db2.gz NMCUFCPMUUDMTR-UHFFFAOYSA-N -2 1 311.384 2.810 20 0 DFADML C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000263141474 427421718 /nfs/dbraw/zinc/42/17/18/427421718.db2.gz DQGKQZCVWPMBQM-DGCLKSJQSA-N -2 1 313.353 2.728 20 0 DFADML O=C(Nc1cccc(Cl)c1O)c1cnc2cc[nH]cc-2c1=O ZINC000342563363 272025129 /nfs/dbraw/zinc/02/51/29/272025129.db2.gz ZNCZXAUDVDPFSA-UHFFFAOYSA-N -2 1 315.716 2.534 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c[nH]1 ZINC000337157964 427806866 /nfs/dbraw/zinc/80/68/66/427806866.db2.gz QIWUYCYHARILRK-UHFFFAOYSA-N -2 1 324.333 2.530 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000356474000 428194037 /nfs/dbraw/zinc/19/40/37/428194037.db2.gz FJNAVGJKUUDOJC-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC000360510889 428325787 /nfs/dbraw/zinc/32/57/87/428325787.db2.gz JAHRHSXIZQUULT-UHFFFAOYSA-N -3 1 321.354 2.508 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362298846 428693718 /nfs/dbraw/zinc/69/37/18/428693718.db2.gz MGNAGZMWPKGRBV-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C1CC1 ZINC000359083648 428807993 /nfs/dbraw/zinc/80/79/93/428807993.db2.gz JIQBJUBIHVHALW-UHFFFAOYSA-N -2 1 320.370 2.700 20 0 DFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485305477 429744261 /nfs/dbraw/zinc/74/42/61/429744261.db2.gz RPVGJSRZRRTTIM-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1c(=O)n(-c2ccc(C(=O)[O-])cc2OC)[n-]c1C(C)C ZINC000634611794 430052790 /nfs/dbraw/zinc/05/27/90/430052790.db2.gz DXIQMARATUOUOZ-NSHDSACASA-N -2 1 304.346 2.778 20 0 DFADML C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000436478369 297005353 /nfs/dbraw/zinc/00/53/53/297005353.db2.gz MFVULJWWKOHUTB-UHFFFAOYSA-N -2 1 303.339 2.829 20 0 DFADML CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000507640082 317695935 /nfs/dbraw/zinc/69/59/35/317695935.db2.gz ZXMZUAIJWSZBHP-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C ZINC000832973052 601854594 /nfs/dbraw/zinc/85/45/94/601854594.db2.gz OXNDYNSUKQJYJA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[O-] ZINC000737485995 602671220 /nfs/dbraw/zinc/67/12/20/602671220.db2.gz BMOYSGFYCPICSZ-UHFFFAOYSA-N -2 1 320.370 2.597 20 0 DFADML COc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1 ZINC000739950893 602839989 /nfs/dbraw/zinc/83/99/89/602839989.db2.gz ABUBUOJOWLYHDY-UHFFFAOYSA-N -2 1 302.286 2.743 20 0 DFADML O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1c([O-])cccc1F)C2 ZINC000831308176 603899334 /nfs/dbraw/zinc/89/93/34/603899334.db2.gz MVBBBQNNJZRBKU-FGWVZKOKSA-N -2 1 322.336 2.781 20 0 DFADML C[C@@H](CC(=O)Nc1c([O-])cccc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679855 604580357 /nfs/dbraw/zinc/58/03/57/604580357.db2.gz OODOLEKXUIJADF-QWRGUYRKSA-N -2 1 324.352 2.886 20 0 DFADML CC(C)(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)[O-] ZINC000833425361 605181528 /nfs/dbraw/zinc/18/15/28/605181528.db2.gz YCLOCQPOHYHRBQ-JTQLQIEISA-N -2 1 319.279 2.640 20 0 DFADML O=C([O-])NCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000834249462 606014417 /nfs/dbraw/zinc/01/44/17/606014417.db2.gz WAGBKFGRCGUVOQ-UHFFFAOYSA-N -2 1 310.693 2.659 20 0 DFADML Cc1ccc2nc(-c3ccc(CCC(=O)[O-])cc3)[n-]c(=O)c2c1 ZINC000080128416 399119655 /nfs/dbraw/zinc/11/96/55/399119655.db2.gz VNPGKAJIKXRYMR-UHFFFAOYSA-N -2 1 308.337 2.916 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC000485276695 299421611 /nfs/dbraw/zinc/42/16/11/299421611.db2.gz VUSYZOPTPONKJQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML C[C@H](Oc1cccc(C=C2SC(=S)[N-]C2=O)c1)C(=O)[O-] ZINC000016905247 182064198 /nfs/dbraw/zinc/06/41/98/182064198.db2.gz JUDFYCFIZZOUMG-FSEMZKDTSA-N -2 1 309.368 2.868 20 0 DFADML COc1ccc2nc(-c3ccc(CCC(=O)[O-])cc3)[n-]c(=O)c2c1 ZINC000357476655 148007099 /nfs/dbraw/zinc/00/70/99/148007099.db2.gz PRVYBHAVBHYKCV-UHFFFAOYSA-N -2 1 324.336 2.616 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000185569999 158064161 /nfs/dbraw/zinc/06/41/61/158064161.db2.gz YCJSJZLLKOTYGG-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000320552757 268348008 /nfs/dbraw/zinc/34/80/08/268348008.db2.gz SMONSRASDXGHPL-GFCCVEGCSA-N -2 1 313.353 2.872 20 0 DFADML C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000263141477 427421371 /nfs/dbraw/zinc/42/13/71/427421371.db2.gz DQGKQZCVWPMBQM-WCQYABFASA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])cc1 ZINC000547873727 430430459 /nfs/dbraw/zinc/43/04/59/430430459.db2.gz WCMSFYWVMDMLBI-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000531125827 301080597 /nfs/dbraw/zinc/08/05/97/301080597.db2.gz IGPFAXHDIANNCS-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML COc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c([O-])c1 ZINC000167897067 599810677 /nfs/dbraw/zinc/81/06/77/599810677.db2.gz ORBCWYHUFCCCAG-UHFFFAOYSA-N -2 1 315.325 2.670 20 0 DFADML O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020227030 599852002 /nfs/dbraw/zinc/85/20/02/599852002.db2.gz CMWZCGXIMNLGEM-UHFFFAOYSA-N -2 1 305.355 2.505 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000061117846 599924923 /nfs/dbraw/zinc/92/49/23/599924923.db2.gz MUWHCTZRWLYMJB-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML CN(Cc1ccc(NC(=O)c2ccccc2[O-])cc1)C(=O)[O-] ZINC000737485588 600284842 /nfs/dbraw/zinc/28/48/42/600284842.db2.gz VZLBKXSLDXAAOT-UHFFFAOYSA-N -2 1 300.314 2.754 20 0 DFADML CN(Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000737485790 600299164 /nfs/dbraw/zinc/29/91/64/600299164.db2.gz FZHSRGGEGZBXDP-UHFFFAOYSA-N -2 1 320.370 2.597 20 0 DFADML O=C([O-])CCCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000739686828 600481535 /nfs/dbraw/zinc/48/15/35/600481535.db2.gz BUVNXXYIIGICCB-UHFFFAOYSA-N -2 1 315.325 2.888 20 0 DFADML CCCc1cc(=O)[n-]c(SCc2ccc(C(=O)[O-])s2)n1 ZINC000020395412 601889460 /nfs/dbraw/zinc/88/94/60/601889460.db2.gz CPJOHRKONMFJRI-UHFFFAOYSA-N -2 1 310.400 2.774 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000738109446 602644819 /nfs/dbraw/zinc/64/48/19/602644819.db2.gz ODFFTZXNMWEKPC-UHFFFAOYSA-N -2 1 322.342 2.586 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCc3occc32)c([O-])c1 ZINC000740700040 602847986 /nfs/dbraw/zinc/84/79/86/602847986.db2.gz ZPMHAWMSHOQDTJ-LBPRGKRZSA-N -2 1 316.313 2.883 20 0 DFADML CC(C)C1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000824159144 603922896 /nfs/dbraw/zinc/92/28/96/603922896.db2.gz YALRVBBYDVDRHU-UHFFFAOYSA-N -2 1 306.362 2.990 20 0 DFADML O=C([O-])C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000833773075 605262840 /nfs/dbraw/zinc/26/28/40/605262840.db2.gz OOJNZRSJHHHSOI-NSHDSACASA-N -2 1 309.318 2.539 20 0 DFADML O=C([O-])Nc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000834265772 605836565 /nfs/dbraw/zinc/83/65/65/605836565.db2.gz BXUHCPDWKOZSHY-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000479204242 299373837 /nfs/dbraw/zinc/37/38/37/299373837.db2.gz KJOHYVDKIXYEAZ-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357014551 158348769 /nfs/dbraw/zinc/34/87/69/158348769.db2.gz JULIJKNCFMQGCE-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000055311304 425893056 /nfs/dbraw/zinc/89/30/56/425893056.db2.gz KZMIWVKRJLPUGZ-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)s1 ZINC000037406559 425847871 /nfs/dbraw/zinc/84/78/71/425847871.db2.gz PYZAXCWLJGWPOI-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000044750156 425857607 /nfs/dbraw/zinc/85/76/07/425857607.db2.gz GNYMRXFCKPDVJG-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000113456690 426115009 /nfs/dbraw/zinc/11/50/09/426115009.db2.gz WKJBTLJITHMJLA-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000336847917 427757711 /nfs/dbraw/zinc/75/77/11/427757711.db2.gz YTQIOJYAKVOPEN-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1C(=O)[O-] ZINC000362127083 428630481 /nfs/dbraw/zinc/63/04/81/428630481.db2.gz VLWRGYLLCZAUGJ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000484592766 429742499 /nfs/dbraw/zinc/74/24/99/429742499.db2.gz WAFYYYZPCWEZKM-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(C)o1 ZINC000548241199 430458114 /nfs/dbraw/zinc/45/81/14/430458114.db2.gz SNLJJZODYADEAY-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)C(=O)[O-])c1 ZINC000647738973 431676329 /nfs/dbraw/zinc/67/63/29/431676329.db2.gz UYLPQVXYPAHCGV-UHFFFAOYSA-N -2 1 316.151 2.512 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000317286353 500861142 /nfs/dbraw/zinc/86/11/42/500861142.db2.gz JVOQVNIMVBIJJG-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML CCCc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000317456178 600175872 /nfs/dbraw/zinc/17/58/72/600175872.db2.gz ZYNLWGGMBLKQKO-UHFFFAOYSA-N -2 1 322.386 2.775 20 0 DFADML CC(C)N(CCC(=O)[O-])C(=O)c1ccc2ccccc2c1[O-] ZINC000314588106 600560119 /nfs/dbraw/zinc/56/01/19/600560119.db2.gz QKPULPUGKNKMFU-UHFFFAOYSA-N -2 1 301.342 2.871 20 0 DFADML O=C([O-])C1(CNC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000833134702 601601542 /nfs/dbraw/zinc/60/15/42/601601542.db2.gz BBXLGVHZETVHNI-UHFFFAOYSA-N -2 1 313.353 2.920 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)n1 ZINC000320706037 601771131 /nfs/dbraw/zinc/77/11/31/601771131.db2.gz OYPWXQAWPAGHDU-UHFFFAOYSA-N -2 1 320.370 2.506 20 0 DFADML O=C([O-])CCC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000833224244 601823489 /nfs/dbraw/zinc/82/34/89/601823489.db2.gz IGKSETADVADLHR-UHFFFAOYSA-N -2 1 311.765 2.763 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000830254279 601854725 /nfs/dbraw/zinc/85/47/25/601854725.db2.gz XIYPOUFNUOFTOI-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000832950689 601854736 /nfs/dbraw/zinc/85/47/36/601854736.db2.gz UUBKEGVSJQABQO-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830281858 601856059 /nfs/dbraw/zinc/85/60/59/601856059.db2.gz FBKKZXGZEKPEFG-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000832325941 604033927 /nfs/dbraw/zinc/03/39/27/604033927.db2.gz PFXFFYAOKUBOEJ-RKDXNWHRSA-N -2 1 312.753 2.811 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCc3[nH]ccc32)c([O-])c1 ZINC000832834502 604069222 /nfs/dbraw/zinc/06/92/22/604069222.db2.gz XQIQQFJXQJBYOD-CYBMUJFWSA-N -2 1 315.329 2.618 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c([O-])c1 ZINC000834258802 605647803 /nfs/dbraw/zinc/64/78/03/605647803.db2.gz RVWKTJPJYBHQAF-CYBMUJFWSA-N -2 1 304.346 2.887 20 0 DFADML O=C([O-])NC1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000834170156 605848538 /nfs/dbraw/zinc/84/85/38/605848538.db2.gz MTESLCVRKFGBQN-UHFFFAOYSA-N -2 1 312.753 2.811 20 0 DFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000194305235 186279284 /nfs/dbraw/zinc/27/92/84/186279284.db2.gz XDYXRNXYEHAFRB-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C(=O)[O-] ZINC000424255253 296495846 /nfs/dbraw/zinc/49/58/46/296495846.db2.gz LSGSOEIWMAXWEI-BDJLRTHQSA-N -2 1 313.353 2.871 20 0 DFADML CC1(C(=O)[O-])CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000320986238 543083708 /nfs/dbraw/zinc/08/37/08/543083708.db2.gz ZOFOVOGWHBJLKH-UHFFFAOYSA-N -2 1 313.353 2.872 20 0 DFADML Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357016424 158348706 /nfs/dbraw/zinc/34/87/06/158348706.db2.gz GDYGDITZNIASJM-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000013464565 425754539 /nfs/dbraw/zinc/75/45/39/425754539.db2.gz BGMNMHMJKMMKHS-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C(=O)[O-] ZINC000324055537 268349929 /nfs/dbraw/zinc/34/99/29/268349929.db2.gz BNKBLXKCZJKRDO-XHDPSFHLSA-N -2 1 313.353 2.871 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cs1 ZINC000070156513 425969349 /nfs/dbraw/zinc/96/93/49/425969349.db2.gz FBSZQUAGKIGFAF-UHFFFAOYSA-N -2 1 323.395 2.736 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000078365010 426167458 /nfs/dbraw/zinc/16/74/58/426167458.db2.gz BRMVYDCFUPWZCQ-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433811254 429052642 /nfs/dbraw/zinc/05/26/42/429052642.db2.gz OXUYKEITAZSRLK-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML CC(C)c1scnc1[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000634793118 430114699 /nfs/dbraw/zinc/11/46/99/430114699.db2.gz WDJVWQJDLAOYGA-UHFFFAOYSA-N -2 1 316.379 2.912 20 0 DFADML CC1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000647763312 431683395 /nfs/dbraw/zinc/68/33/95/431683395.db2.gz XJUOWFVYFALPLY-UHFFFAOYSA-N -2 1 313.353 2.872 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000548199346 301574047 /nfs/dbraw/zinc/57/40/47/301574047.db2.gz ZYWYNGLFMGJZDX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000739824279 600366714 /nfs/dbraw/zinc/36/67/14/600366714.db2.gz WIHMJSIOKKARPI-UHFFFAOYSA-N -2 1 321.716 2.761 20 0 DFADML CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)c([O-])c1 ZINC000736513890 600451686 /nfs/dbraw/zinc/45/16/86/600451686.db2.gz ZIOVTDUYTJSJAB-UHFFFAOYSA-N -2 1 300.314 2.861 20 0 DFADML CCCC[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)[O-] ZINC000829295282 600838616 /nfs/dbraw/zinc/83/86/16/600838616.db2.gz AXBYATULYQCHTN-ZCFIWIBFSA-N -2 1 310.297 2.937 20 0 DFADML CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2ccccc2c1[O-] ZINC000828645307 601133559 /nfs/dbraw/zinc/13/35/59/601133559.db2.gz MBTYQLUOSPSYBJ-KRWDZBQOSA-N -2 1 301.342 2.919 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2ccc(Cl)o2)c([O-])c1 ZINC000740697817 602845103 /nfs/dbraw/zinc/84/51/03/602845103.db2.gz HHLXBCISIROOEU-UHFFFAOYSA-N -2 1 310.693 2.659 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCOC2CCCCC2)c([O-])c1 ZINC000740698737 602853490 /nfs/dbraw/zinc/85/34/90/602853490.db2.gz PUMMORFJFRIMFR-UHFFFAOYSA-N -2 1 322.361 2.561 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c([O-])c1 ZINC000740699686 602856201 /nfs/dbraw/zinc/85/62/01/602856201.db2.gz WXPNEAAHSDEWMU-KBPBESRZSA-N -2 1 312.325 2.768 20 0 DFADML COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1NC(=O)[O-] ZINC000829474753 603471332 /nfs/dbraw/zinc/47/13/32/603471332.db2.gz OMUUAPOHYYJLPA-UHFFFAOYSA-N -2 1 320.276 2.882 20 0 DFADML O=C([O-])N1CCc2cc(NC(=O)c3cc(F)ccc3[O-])ccc21 ZINC000831772356 603473883 /nfs/dbraw/zinc/47/38/83/603473883.db2.gz BFBCTWHQEYRWBR-UHFFFAOYSA-N -2 1 316.288 2.824 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCCC(F)(F)F)c([O-])c1 ZINC000832833545 604030967 /nfs/dbraw/zinc/03/09/67/604030967.db2.gz OUPPYWKOBZZUOW-UHFFFAOYSA-N -2 1 306.240 2.554 20 0 DFADML O=C([O-])NCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000832705109 604033785 /nfs/dbraw/zinc/03/37/85/604033785.db2.gz FFZHCBGQGICGHK-UHFFFAOYSA-N -2 1 310.693 2.659 20 0 DFADML CS[C@@H]1CCCCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000829716414 605351939 /nfs/dbraw/zinc/35/19/39/605351939.db2.gz HSFPBBKROJVTDN-LLVKDONJSA-N -2 1 324.402 2.840 20 0 DFADML O=C([O-])N1CCC[C@H]1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000833996592 605541679 /nfs/dbraw/zinc/54/16/79/605541679.db2.gz FZBFMHBWIVHAAT-JTQLQIEISA-N -2 1 312.753 2.907 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NC2CCC(F)(F)CC2)c([O-])c1 ZINC000834254665 605718693 /nfs/dbraw/zinc/71/86/93/605718693.db2.gz BKKKSUKROJEMBG-UHFFFAOYSA-N -2 1 314.288 2.790 20 0 DFADML O=C([O-])N[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000834251803 605848714 /nfs/dbraw/zinc/84/87/14/605848714.db2.gz VABJLGGQUHXYEF-CYBMUJFWSA-N -2 1 320.732 2.993 20 0 DFADML Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])ccc1O ZINC000833900644 605958821 /nfs/dbraw/zinc/95/88/21/605958821.db2.gz UWOUCEQOBXSBNU-UHFFFAOYSA-N -2 1 302.286 2.748 20 0 DFADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000071392853 398611915 /nfs/dbraw/zinc/61/19/15/398611915.db2.gz GMSUNHCQAARIOH-UHFFFAOYSA-N -2 1 317.775 2.901 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000080938244 399190756 /nfs/dbraw/zinc/19/07/56/399190756.db2.gz AARBICYOQOYNLE-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021024366 182261337 /nfs/dbraw/zinc/26/13/37/182261337.db2.gz WAEYZUMVQCTUPV-UHFFFAOYSA-N -2 1 323.345 2.644 20 0 DFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000356475251 147708245 /nfs/dbraw/zinc/70/82/45/147708245.db2.gz HIVDHIFBVOXPKS-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)ccc1C(=O)[O-] ZINC000319805632 268346857 /nfs/dbraw/zinc/34/68/57/268346857.db2.gz BBACQUPNFATWGT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000336851912 427758135 /nfs/dbraw/zinc/75/81/35/427758135.db2.gz FUJBUXZKHNNERK-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1cccc2nc(-c3ccc(CCC(=O)[O-])cc3)[n-]c(=O)c12 ZINC000339561039 427793326 /nfs/dbraw/zinc/79/33/26/427793326.db2.gz BPVZIQHVUJKGMW-UHFFFAOYSA-N -2 1 308.337 2.916 20 0 DFADML Cc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3C(=O)[O-])c2)c1 ZINC000339606480 427800507 /nfs/dbraw/zinc/80/05/07/427800507.db2.gz JJEWYAMWPJIGBN-UHFFFAOYSA-N -2 1 322.320 2.816 20 0 DFADML Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000360497348 428322409 /nfs/dbraw/zinc/32/24/09/428322409.db2.gz ZKPCISBBNOZLJW-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000348439078 428745566 /nfs/dbraw/zinc/74/55/66/428745566.db2.gz GYMJZYZPFMISNR-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCCc1[n-]n(-c2ccc(C(=O)[O-])cc2OC)c(=O)c1CC ZINC000634612438 430051681 /nfs/dbraw/zinc/05/16/81/430051681.db2.gz YHEWELGJXOLRQU-LLVKDONJSA-N -2 1 304.346 2.922 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1c(C)c(F)ccc1C(=O)[O-] ZINC000548261489 301575390 /nfs/dbraw/zinc/57/53/90/301575390.db2.gz QUAAUUPYFIVGDM-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cscc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000387096264 323322189 /nfs/dbraw/zinc/32/21/89/323322189.db2.gz IIJIFELDNBQWCU-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c([O-])c1 ZINC000314675271 599918363 /nfs/dbraw/zinc/91/83/63/599918363.db2.gz PJJCDTQNAIJUIO-UHFFFAOYSA-N -2 1 301.298 2.660 20 0 DFADML O=C([O-])c1ccnc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000321813344 600451735 /nfs/dbraw/zinc/45/17/35/600451735.db2.gz CTRLYHSBHRDZDW-UHFFFAOYSA-N -2 1 308.293 2.891 20 0 DFADML O=C([O-])c1ccc(COC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000833315853 602007258 /nfs/dbraw/zinc/00/72/58/602007258.db2.gz HXQKLHHEQNADQE-UHFFFAOYSA-N -2 1 314.265 2.787 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCc3sccc3C2)c([O-])c1 ZINC000740698458 602845862 /nfs/dbraw/zinc/84/58/62/602845862.db2.gz LRHTXZVBXJUWMN-UHFFFAOYSA-N -2 1 318.354 2.742 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC000740699692 602856197 /nfs/dbraw/zinc/85/61/97/602856197.db2.gz WXPNEAAHSDEWMU-ZIAGYGMSSA-N -2 1 312.325 2.768 20 0 DFADML O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000832325938 604033589 /nfs/dbraw/zinc/03/35/89/604033589.db2.gz PFXFFYAOKUBOEJ-BDAKNGLRSA-N -2 1 312.753 2.811 20 0 DFADML O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000832325940 604033821 /nfs/dbraw/zinc/03/38/21/604033821.db2.gz PFXFFYAOKUBOEJ-IUCAKERBSA-N -2 1 312.753 2.811 20 0 DFADML C[C@H](CC(=O)Nc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679853 604580439 /nfs/dbraw/zinc/58/04/39/604580439.db2.gz OODOLEKXUIJADF-GHMZBOCLSA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])c1ccnc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)c1 ZINC000833335246 604972550 /nfs/dbraw/zinc/97/25/50/604972550.db2.gz SDRYDUYJXZEMJF-UHFFFAOYSA-N -2 1 301.689 2.749 20 0 DFADML CCCN(C(=O)c1cc(F)ccc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000833854642 605656528 /nfs/dbraw/zinc/65/65/28/605656528.db2.gz VYMFJIPYLXCATA-UHFFFAOYSA-N -2 1 324.352 2.526 20 0 DFADML COc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1C(=O)[O-] ZINC000320020087 231189844 /nfs/dbraw/zinc/18/98/44/231189844.db2.gz PINKRUJIKKYGQJ-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318943747 529601328 /nfs/dbraw/zinc/60/13/28/529601328.db2.gz ZSYACSYJUDPJOC-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1 ZINC000149414382 283264174 /nfs/dbraw/zinc/26/41/74/283264174.db2.gz YPHUOMQKHMQZIK-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C(=O)[O-])c1 ZINC000476398407 299354341 /nfs/dbraw/zinc/35/43/41/299354341.db2.gz QBFPBANSADADLC-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000013340276 181845079 /nfs/dbraw/zinc/84/50/79/181845079.db2.gz OKTFYEMKWPNDHE-UHFFFAOYSA-N -2 1 311.746 2.839 20 0 DFADML CCCCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000071895785 184892846 /nfs/dbraw/zinc/89/28/46/184892846.db2.gz NPABVLQETXGREK-UHFFFAOYSA-N -2 1 322.386 2.856 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000507573325 543421317 /nfs/dbraw/zinc/42/13/17/543421317.db2.gz ZIVXGTRDCMBWLR-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000350731011 286078904 /nfs/dbraw/zinc/07/89/04/286078904.db2.gz XRAFMNUVCGAOJK-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000263108103 427414332 /nfs/dbraw/zinc/41/43/32/427414332.db2.gz BNKIHCMKUYIZQH-BXUZGUMPSA-N -2 1 313.353 2.871 20 0 DFADML C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000263141472 427420666 /nfs/dbraw/zinc/42/06/66/427420666.db2.gz DQGKQZCVWPMBQM-AAEUAGOBSA-N -2 1 313.353 2.728 20 0 DFADML C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263518820 427507171 /nfs/dbraw/zinc/50/71/71/427507171.db2.gz PXOGHGFHVQNMFO-AAEUAGOBSA-N -2 1 313.353 2.871 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000336862158 427765286 /nfs/dbraw/zinc/76/52/86/427765286.db2.gz CQHXLUAGKKVKQK-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CCOc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000337177472 427810471 /nfs/dbraw/zinc/81/04/71/427810471.db2.gz OZWYXYAVVFVHIV-UHFFFAOYSA-N -2 1 321.354 2.584 20 0 DFADML CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2ccccc2cc1[O-] ZINC000455811677 429214292 /nfs/dbraw/zinc/21/42/92/429214292.db2.gz OGENVNMQWTYWPH-LLVKDONJSA-N -2 1 301.342 2.871 20 0 DFADML C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000577850598 318221424 /nfs/dbraw/zinc/22/14/24/318221424.db2.gz DHZLFWOEBWNUOQ-ABAIWWIYSA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000316548563 533710040 /nfs/dbraw/zinc/71/00/40/533710040.db2.gz JRILWMOEGSOSOL-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000316327982 534212587 /nfs/dbraw/zinc/21/25/87/534212587.db2.gz OKMYTOUNEYVAIJ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000317458228 600175936 /nfs/dbraw/zinc/17/59/36/600175936.db2.gz AJSWFTIDOLCMMP-UHFFFAOYSA-N -2 1 322.386 2.946 20 0 DFADML CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000321382247 600882259 /nfs/dbraw/zinc/88/22/59/600882259.db2.gz BFKASEZTUMVLSL-UHFFFAOYSA-N -2 1 315.325 2.712 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCc2ccccc2F)c([O-])c1 ZINC000740697213 602841373 /nfs/dbraw/zinc/84/13/73/602841373.db2.gz FGCBXKXJMSTVJC-UHFFFAOYSA-N -2 1 318.304 2.594 20 0 DFADML C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000825442931 603545919 /nfs/dbraw/zinc/54/59/19/603545919.db2.gz TVNZRKYVAYJQMH-SECBINFHSA-N -2 1 316.313 2.679 20 0 DFADML CCO[C@@H](CCNC(=O)c1ccc(NC(=O)[O-])cc1[O-])C(C)C ZINC000827372598 603894822 /nfs/dbraw/zinc/89/48/22/603894822.db2.gz RLSQRJXETONISP-AWEZNQCLSA-N -2 1 324.377 2.663 20 0 DFADML CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000833497224 605198793 /nfs/dbraw/zinc/19/87/93/605198793.db2.gz WPTUXAMVQKIPSC-UHFFFAOYSA-N -2 1 319.279 2.736 20 0 DFADML Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(O)cc1[O-] ZINC000833906098 606008576 /nfs/dbraw/zinc/00/85/76/606008576.db2.gz JHSTVGXURNFJMS-UHFFFAOYSA-N -2 1 302.286 2.748 20 0 DFADML CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000590695348 398653546 /nfs/dbraw/zinc/65/35/46/398653546.db2.gz YADWLAULRRLXNH-UHFFFAOYSA-N -2 1 307.327 2.549 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000078364993 191852937 /nfs/dbraw/zinc/85/29/37/191852937.db2.gz LENXEPNJMRNUFW-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML C[C@@H](Oc1cccc(C=C2SC(=S)[N-]C2=O)c1)C(=O)[O-] ZINC000016905245 182064701 /nfs/dbraw/zinc/06/47/01/182064701.db2.gz JUDFYCFIZZOUMG-VSUWBIFXSA-N -2 1 309.368 2.868 20 0 DFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)nc2)c(C(=O)[O-])c1 ZINC000349968651 285981087 /nfs/dbraw/zinc/98/10/87/285981087.db2.gz VMVICIVPHCJFLQ-UHFFFAOYSA-N -2 1 320.370 2.506 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000357022048 158349261 /nfs/dbraw/zinc/34/92/61/158349261.db2.gz ANNGJVZBEULVCP-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2ccccc2c1[O-] ZINC000315655600 268343917 /nfs/dbraw/zinc/34/39/17/268343917.db2.gz XZSFPARGSZVKPP-LLVKDONJSA-N -2 1 301.342 2.871 20 0 DFADML C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C(=O)[O-] ZINC000324055533 268349978 /nfs/dbraw/zinc/34/99/78/268349978.db2.gz BNKBLXKCZJKRDO-ABAIWWIYSA-N -2 1 313.353 2.871 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000112334684 426072772 /nfs/dbraw/zinc/07/27/72/426072772.db2.gz LTTJFINTMXHPRY-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000358853923 428705687 /nfs/dbraw/zinc/70/56/87/428705687.db2.gz GDGNQBXRSFASLN-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CC(C)[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000655565719 431050072 /nfs/dbraw/zinc/05/00/72/431050072.db2.gz ZMYAYRODIIELFQ-CQSZACIVSA-N -2 1 301.342 2.632 20 0 DFADML O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccsc2)c1F ZINC000556774068 301808793 /nfs/dbraw/zinc/80/87/93/301808793.db2.gz ZTYOCERHIJZIIC-UHFFFAOYSA-N -2 1 319.310 2.525 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1F ZINC000314502203 316239782 /nfs/dbraw/zinc/23/97/82/316239782.db2.gz QVLYSHHWDFSAGE-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000819673648 597237487 /nfs/dbraw/zinc/23/74/87/597237487.db2.gz KIVADQLABOHZTL-UHFFFAOYSA-N -2 1 305.717 2.674 20 0 DFADML CCc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000035306612 599873450 /nfs/dbraw/zinc/87/34/50/599873450.db2.gz ZYQHHPOHDJYAFR-UHFFFAOYSA-N -2 1 311.384 2.810 20 0 DFADML C[C@H](CN(C(=O)c1ccc2ccccc2c1[O-])C1CC1)C(=O)[O-] ZINC000736566033 599922079 /nfs/dbraw/zinc/92/20/79/599922079.db2.gz DMCKUOPVJSHDHY-LLVKDONJSA-N -2 1 313.353 2.871 20 0 DFADML O=C([O-])NCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000833282683 601211899 /nfs/dbraw/zinc/21/18/99/601211899.db2.gz YCCPZARMVXGWBR-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML C/C(=C\COC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000825775636 601424744 /nfs/dbraw/zinc/42/47/44/601424744.db2.gz WZZUGOPNNKBPLV-GQCTYLIASA-N -2 1 305.113 2.887 20 0 DFADML CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000827134236 601783431 /nfs/dbraw/zinc/78/34/31/601783431.db2.gz LZLUFUXKAWQHJY-UHFFFAOYSA-N -2 1 322.386 2.648 20 0 DFADML O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000833125649 601821170 /nfs/dbraw/zinc/82/11/70/601821170.db2.gz JXQGLJKXKXMUOT-ZDUSSCGKSA-N -2 1 323.707 2.740 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000832828755 604068703 /nfs/dbraw/zinc/06/87/03/604068703.db2.gz KLMLKGOGCCQBLZ-QWRGUYRKSA-N -2 1 304.346 2.744 20 0 DFADML CC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)[O-] ZINC000833425362 605181576 /nfs/dbraw/zinc/18/15/76/605181576.db2.gz YCLOCQPOHYHRBQ-SNVBAGLBSA-N -2 1 319.279 2.640 20 0 DFADML C[C@H](CC(=O)Nc1ccc(F)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000824684854 605407304 /nfs/dbraw/zinc/40/73/04/605407304.db2.gz DSKNOCNISBMZPH-SNVBAGLBSA-N -2 1 324.352 2.886 20 0 DFADML C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685403 605407360 /nfs/dbraw/zinc/40/73/60/605407360.db2.gz MBLUSUMYPDJHSD-QWRGUYRKSA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000834257979 605654211 /nfs/dbraw/zinc/65/42/11/605654211.db2.gz LIDDFOPYTZPPNO-GWCFXTLKSA-N -2 1 304.346 2.887 20 0 DFADML O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000834055541 605832515 /nfs/dbraw/zinc/83/25/15/605832515.db2.gz USPQBQLQOXCVKE-JTQLQIEISA-N -2 1 324.764 2.764 20 0 DFADML O=C([O-])Nc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000834268204 605892310 /nfs/dbraw/zinc/89/23/10/605892310.db2.gz GHEXPONXKZHVOV-UHFFFAOYSA-N -2 1 305.261 2.978 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000319055722 231178738 /nfs/dbraw/zinc/17/87/38/231178738.db2.gz WCWIJXKXMDLMNJ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000066290271 398367207 /nfs/dbraw/zinc/36/72/07/398367207.db2.gz ZYBHUVPCJGGYAH-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000083683123 192377614 /nfs/dbraw/zinc/37/76/14/192377614.db2.gz NJBVRRSHVVRHQW-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML CCc1cc(C(=O)N=c2nc(CC(C)C)[n-]s2)ccc1[O-] ZINC000618350231 399092219 /nfs/dbraw/zinc/09/22/19/399092219.db2.gz WCYZFUYXNVJYDI-UHFFFAOYSA-N -2 1 305.403 2.679 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c(C)c1 ZINC000013313205 542422085 /nfs/dbraw/zinc/42/20/85/542422085.db2.gz UPGNNIOKOPHTPL-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccsc2)cc(C(=O)[O-])c1C ZINC000348423945 285539605 /nfs/dbraw/zinc/53/96/05/285539605.db2.gz QHNLAFFZACVINX-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000315091473 543071095 /nfs/dbraw/zinc/07/10/95/543071095.db2.gz ARUMENSWWLIZIR-UHFFFAOYSA-N -2 1 322.386 2.569 20 0 DFADML Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350871613 286097143 /nfs/dbraw/zinc/09/71/43/286097143.db2.gz QWTLESSXGXHQNF-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000013059812 425745686 /nfs/dbraw/zinc/74/56/86/425745686.db2.gz IVBCEFHRYPAKDW-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000314907208 268342257 /nfs/dbraw/zinc/34/22/57/268342257.db2.gz COVSBQNXQYUPEY-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C(=O)[O-] ZINC000324055535 268350277 /nfs/dbraw/zinc/35/02/77/268350277.db2.gz BNKBLXKCZJKRDO-IAQYHMDHSA-N -2 1 313.353 2.871 20 0 DFADML Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000078364959 426167312 /nfs/dbraw/zinc/16/73/12/426167312.db2.gz NQRJZOGSLJJVII-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000078364965 426167405 /nfs/dbraw/zinc/16/74/05/426167405.db2.gz MEOIVVZWKADTCT-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML C/C=C\c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000341053813 427980899 /nfs/dbraw/zinc/98/08/99/427980899.db2.gz UQLAYLPNLYCUOL-IHWYPQMZSA-N -2 1 306.343 2.547 20 0 DFADML C/C=C/c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000341056657 427985267 /nfs/dbraw/zinc/98/52/67/427985267.db2.gz YGWQDCWKVMIAMM-ONEGZZNKSA-N -2 1 320.370 2.557 20 0 DFADML O=C([O-])[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CCC1 ZINC000663152893 431304738 /nfs/dbraw/zinc/30/47/38/431304738.db2.gz MLNUDJRVGGLJPV-HNNXBMFYSA-N -2 1 313.353 2.776 20 0 DFADML O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000035306495 599873509 /nfs/dbraw/zinc/87/35/09/599873509.db2.gz QSTBHTGZBVEBQJ-UHFFFAOYSA-N -2 1 323.395 2.736 20 0 DFADML CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000321805334 600933895 /nfs/dbraw/zinc/93/38/95/600933895.db2.gz YKFMPYVAIIXQNU-UHFFFAOYSA-N -2 1 317.301 2.537 20 0 DFADML CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2ccccc2c1[O-] ZINC000828645309 601133618 /nfs/dbraw/zinc/13/36/18/601133618.db2.gz MBTYQLUOSPSYBJ-QGZVFWFLSA-N -2 1 301.342 2.919 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1 ZINC000740700386 602846148 /nfs/dbraw/zinc/84/61/48/602846148.db2.gz KPAMVZSDZVZBBB-UHFFFAOYSA-N -2 1 307.693 2.783 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2cc(F)ccc2F)c([O-])c1 ZINC000740697821 602861507 /nfs/dbraw/zinc/86/15/07/602861507.db2.gz HPTAGMNMVVAYLR-UHFFFAOYSA-N -2 1 322.267 2.690 20 0 DFADML C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000825449008 603402232 /nfs/dbraw/zinc/40/22/32/603402232.db2.gz JMTZNXCELDZSTA-LLVKDONJSA-N -2 1 320.370 2.816 20 0 DFADML O=C([O-])NCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000832702596 603624375 /nfs/dbraw/zinc/62/43/75/603624375.db2.gz UWPDVIBOONULIE-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML CN(CCc1cccs1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000828340634 603986856 /nfs/dbraw/zinc/98/68/56/603986856.db2.gz BUMZTCXQDDTPBE-UHFFFAOYSA-N -2 1 320.370 2.858 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000832829168 604001251 /nfs/dbraw/zinc/00/12/51/604001251.db2.gz OPRZOVSKNZJBKJ-UHFFFAOYSA-N -2 1 304.346 2.888 20 0 DFADML C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000825448113 604003963 /nfs/dbraw/zinc/00/39/63/604003963.db2.gz BXRDKNUDYIAUIX-SNVBAGLBSA-N -2 1 300.314 2.973 20 0 DFADML CCSCC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000827505083 604028737 /nfs/dbraw/zinc/02/87/37/604028737.db2.gz ZSFGVAKCYZDMCL-VIFPVBQESA-N -2 1 312.391 2.744 20 0 DFADML C[C@@H](CC(=O)Nc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679856 604580526 /nfs/dbraw/zinc/58/05/26/604580526.db2.gz OODOLEKXUIJADF-WDEREUQCSA-N -2 1 324.352 2.886 20 0 DFADML C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000833410990 604720016 /nfs/dbraw/zinc/72/00/16/604720016.db2.gz KFSSKYJJYKIWQJ-BONVTDFDSA-N -2 1 317.316 2.723 20 0 DFADML C[C@@H](CC(=O)Nc1c([O-])cccc1F)C1CCN(C(=O)[O-])CC1 ZINC000824679764 605344516 /nfs/dbraw/zinc/34/45/16/605344516.db2.gz NJUVLCIJMYNXJR-JTQLQIEISA-N -2 1 324.352 2.886 20 0 DFADML C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000833825427 606081458 /nfs/dbraw/zinc/08/14/58/606081458.db2.gz BSUUNDGKWVJPOM-MEBBXXQBSA-N -2 1 310.325 2.686 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c[nH]1 ZINC000278385123 214132497 /nfs/dbraw/zinc/13/24/97/214132497.db2.gz ICINIDFUVXMFEZ-UHFFFAOYSA-N -2 1 320.370 2.781 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000316383203 231149157 /nfs/dbraw/zinc/14/91/57/231149157.db2.gz XBKCGPIBKYUJDW-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000231656714 146016658 /nfs/dbraw/zinc/01/66/58/146016658.db2.gz HHJVOPQGLHNVQJ-UHFFFAOYSA-N -2 1 311.746 2.839 20 0 DFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007057331 425634539 /nfs/dbraw/zinc/63/45/39/425634539.db2.gz YPXOAMDXOPFCNZ-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cs1 ZINC000070157972 425969532 /nfs/dbraw/zinc/96/95/32/425969532.db2.gz ZFEVRSFVLDXXNI-UHFFFAOYSA-N -2 1 319.310 2.525 20 0 DFADML O=C(N=c1nc(-c2ccccc2)[n-]s1)[N-]O[C@@H]1CCCCO1 ZINC000152832904 426355863 /nfs/dbraw/zinc/35/58/63/426355863.db2.gz QNLVPYACWIZFLB-LLVKDONJSA-N -2 1 320.374 2.785 20 0 DFADML C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000263127230 427419368 /nfs/dbraw/zinc/41/93/68/427419368.db2.gz CRFUFOFPFVEJQM-FZMZJTMJSA-N -2 1 313.353 2.728 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000356469463 428192417 /nfs/dbraw/zinc/19/24/17/428192417.db2.gz UCTAGVBAWDKXNX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000356478865 428195539 /nfs/dbraw/zinc/19/55/39/428195539.db2.gz MJCFGMQLTBYSIX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000356475196 428196211 /nfs/dbraw/zinc/19/62/11/428196211.db2.gz HFJZNKBFKFXUEL-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000356686404 428273779 /nfs/dbraw/zinc/27/37/79/428273779.db2.gz ONRMZUKTJDXLLF-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357152561 428409498 /nfs/dbraw/zinc/40/94/98/428409498.db2.gz WAHBEFPYEAISHM-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000548525226 430484179 /nfs/dbraw/zinc/48/41/79/430484179.db2.gz VSQUPGIYFIFOON-JTQLQIEISA-N -2 1 315.391 2.571 20 0 DFADML C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000436477251 297005391 /nfs/dbraw/zinc/00/53/91/297005391.db2.gz IEYPMBVYKCDRRC-UHFFFAOYSA-N -2 1 321.329 2.968 20 0 DFADML C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000577850600 318221596 /nfs/dbraw/zinc/22/15/96/318221596.db2.gz DHZLFWOEBWNUOQ-NHYWBVRUSA-N -2 1 313.353 2.728 20 0 DFADML CC(C)(CCC(=O)[O-])NC(=O)c1ccc2ccccc2c1[O-] ZINC000262830512 535009933 /nfs/dbraw/zinc/00/99/33/535009933.db2.gz RGKZALFLPNBKDK-UHFFFAOYSA-N -2 1 301.342 2.919 20 0 DFADML O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000821545736 598160646 /nfs/dbraw/zinc/16/06/46/598160646.db2.gz GOWRBPGWXGTDTI-UHFFFAOYSA-N -2 1 323.308 2.733 20 0 DFADML CCc1cccc(CC)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000314322183 600683264 /nfs/dbraw/zinc/68/32/64/600683264.db2.gz HSIXDMUTRMVLAF-UHFFFAOYSA-N -2 1 322.386 2.639 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)n1 ZINC000319847537 601770761 /nfs/dbraw/zinc/77/07/61/601770761.db2.gz FFZGIWFRKVBROP-UHFFFAOYSA-N -2 1 320.370 2.506 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832972989 601854633 /nfs/dbraw/zinc/85/46/33/601854633.db2.gz NDICLOXINPEDCL-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML C[C@H](CC(=O)Nc1c([O-])cccc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679854 604580669 /nfs/dbraw/zinc/58/06/69/604580669.db2.gz OODOLEKXUIJADF-MNOVXSKESA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])COc1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000833258697 604900759 /nfs/dbraw/zinc/90/07/59/604900759.db2.gz YTAOKMHGLODQMY-UHFFFAOYSA-N -2 1 321.716 2.761 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCOc3ccccc32)c([O-])c1 ZINC000834259228 605638592 /nfs/dbraw/zinc/63/85/92/605638592.db2.gz XHPKCYDSEDLICG-UHFFFAOYSA-N -2 1 314.297 2.521 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000834257980 605654224 /nfs/dbraw/zinc/65/42/24/605654224.db2.gz LIDDFOPYTZPPNO-GXFFZTMASA-N -2 1 304.346 2.887 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1F ZINC000315514253 231142874 /nfs/dbraw/zinc/14/28/74/231142874.db2.gz IWOJGCUNVZTMQX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c1 ZINC000078711089 398981610 /nfs/dbraw/zinc/98/16/10/398981610.db2.gz XYCNJJXFTOYWGF-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000035306775 182769237 /nfs/dbraw/zinc/76/92/37/182769237.db2.gz SEVWIORRGDUMIC-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC(C)C ZINC000267875128 206314648 /nfs/dbraw/zinc/31/46/48/206314648.db2.gz NJRIBZLQAUJSDW-UHFFFAOYSA-N -2 1 315.391 2.571 20 0 DFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000316573322 533351473 /nfs/dbraw/zinc/35/14/73/533351473.db2.gz HXYOCOVKWYDHPR-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)ccc1F ZINC000361971244 149267956 /nfs/dbraw/zinc/26/79/56/149267956.db2.gz KROJGSJEZGRINK-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000361988654 149271473 /nfs/dbraw/zinc/27/14/73/149271473.db2.gz VXFPYCWHQNVLPD-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000185569595 158064390 /nfs/dbraw/zinc/06/43/90/158064390.db2.gz WGZROHKIPXGXIN-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML Cc1nc(-c2ccc(NCCCCC(=O)[O-])nc2)[n-]c(=O)c1C ZINC000668161392 543754984 /nfs/dbraw/zinc/75/49/84/543754984.db2.gz BBFTXXNHARJXPO-UHFFFAOYSA-N -2 1 316.361 2.528 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c[nH]1 ZINC000291105534 222141205 /nfs/dbraw/zinc/14/12/05/222141205.db2.gz MDCBSKCZAGKYPN-UHFFFAOYSA-N -2 1 320.370 2.781 20 0 DFADML Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000318966504 533686558 /nfs/dbraw/zinc/68/65/58/533686558.db2.gz GDLCMSFEMRPNIP-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013278843 425751179 /nfs/dbraw/zinc/75/11/79/425751179.db2.gz KQAHRQRJQQCRFU-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML O=C([O-])CCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000314139599 268341085 /nfs/dbraw/zinc/34/10/85/268341085.db2.gz PDIDIZSXBWKPBT-UHFFFAOYSA-N -2 1 301.342 2.920 20 0 DFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156510 425969198 /nfs/dbraw/zinc/96/91/98/425969198.db2.gz VKYVWKCIANSFTA-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000337776823 426965630 /nfs/dbraw/zinc/96/56/30/426965630.db2.gz YFPPFUHFIXEYPB-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML CCc1c(=O)n(-c2ccc(C(=O)[O-])cc2OC)[n-]c1C(C)C ZINC000634611793 430051867 /nfs/dbraw/zinc/05/18/67/430051867.db2.gz DXIQMARATUOUOZ-LLVKDONJSA-N -2 1 304.346 2.778 20 0 DFADML CCc1cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)ccc1[O-] ZINC000529695668 430052269 /nfs/dbraw/zinc/05/22/69/430052269.db2.gz CIDFNHGZEXDNHK-UHFFFAOYSA-N -2 1 303.387 2.532 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])c1 ZINC000547932864 430432572 /nfs/dbraw/zinc/43/25/72/430432572.db2.gz BYSIKSNFNNEHQA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000548528648 430484314 /nfs/dbraw/zinc/48/43/14/430484314.db2.gz AXALVERWKAFNSR-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCC(CC)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000548524899 301598306 /nfs/dbraw/zinc/59/83/06/301598306.db2.gz DQDQFLZADCZXMH-UHFFFAOYSA-N -2 1 315.391 2.571 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000547553195 317854729 /nfs/dbraw/zinc/85/47/29/317854729.db2.gz DNMZCGNVEJIBCK-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C(=O)[O-] ZINC000577850599 318221466 /nfs/dbraw/zinc/22/14/66/318221466.db2.gz DHZLFWOEBWNUOQ-IAQYHMDHSA-N -2 1 313.353 2.728 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000830265518 601854708 /nfs/dbraw/zinc/85/47/08/601854708.db2.gz ABRWWIOUKWXMGX-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cc1 ZINC000739932795 602653002 /nfs/dbraw/zinc/65/30/02/602653002.db2.gz LWKXDFVDHHUSIX-UHFFFAOYSA-N -2 1 322.342 2.586 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC000740699688 602856213 /nfs/dbraw/zinc/85/62/13/602856213.db2.gz WXPNEAAHSDEWMU-KGLIPLIRSA-N -2 1 312.325 2.768 20 0 DFADML CS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000740003382 602867096 /nfs/dbraw/zinc/86/70/96/602867096.db2.gz WLNABLOLQPXYDC-KOLCDFICSA-N -2 1 324.402 2.886 20 0 DFADML CS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000740003379 602867181 /nfs/dbraw/zinc/86/71/81/602867181.db2.gz WLNABLOLQPXYDC-GXSJLCMTSA-N -2 1 324.402 2.886 20 0 DFADML C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000833411090 605264354 /nfs/dbraw/zinc/26/43/54/605264354.db2.gz LNRBVKDQYNQBKC-BONVTDFDSA-N -2 1 317.316 2.723 20 0 DFADML CS[C@H]1CCCCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000829716415 605352092 /nfs/dbraw/zinc/35/20/92/605352092.db2.gz HSFPBBKROJVTDN-NSHDSACASA-N -2 1 324.402 2.840 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2O)c([O-])c1 ZINC000834254813 605661962 /nfs/dbraw/zinc/66/19/62/605661962.db2.gz DCENCOLWPYYUAG-UHFFFAOYSA-N -2 1 306.249 2.579 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCCc2cccs2)c([O-])c1 ZINC000834255736 605669652 /nfs/dbraw/zinc/66/96/52/605669652.db2.gz IVDUOAGVDKVRCL-UHFFFAOYSA-N -2 1 320.370 2.906 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1F ZINC000315406527 231141093 /nfs/dbraw/zinc/14/10/93/231141093.db2.gz BCSLXIGZVPHKND-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])CCc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726314 398782406 /nfs/dbraw/zinc/78/24/06/398782406.db2.gz IWCCLOXAUHLRFM-UHFFFAOYSA-N -2 1 312.300 2.746 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000060800206 399143424 /nfs/dbraw/zinc/14/34/24/399143424.db2.gz JYXJXSVXYXHVMW-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000361973940 149268871 /nfs/dbraw/zinc/26/88/71/149268871.db2.gz ZSBGOPRWJLHPFJ-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc([O-])c(Cl)c1 ZINC000066638382 425905605 /nfs/dbraw/zinc/90/56/05/425905605.db2.gz UFUHJKQDXPATFN-UHFFFAOYSA-N -2 1 324.793 2.565 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000178912167 426718495 /nfs/dbraw/zinc/71/84/95/426718495.db2.gz JGAHVUBCQKBFAF-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000337755643 426957971 /nfs/dbraw/zinc/95/79/71/426957971.db2.gz LPWOETQZZSQHCW-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML CC(C)[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-] ZINC000315821372 426941118 /nfs/dbraw/zinc/94/11/18/426941118.db2.gz CAPMCCZGWSWUTJ-CQSZACIVSA-N -2 1 301.342 2.632 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1O ZINC000336861550 427763904 /nfs/dbraw/zinc/76/39/04/427763904.db2.gz CICHKSZTZNLHEN-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1nc(SCc2nc(=O)c3sccc3[n-]2)[n-]c(=O)c1C ZINC000346724109 428288506 /nfs/dbraw/zinc/28/85/06/428288506.db2.gz PCOPGNKHRXOKCY-UHFFFAOYSA-N -2 1 320.399 2.802 20 0 DFADML Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC000360512674 428328806 /nfs/dbraw/zinc/32/88/06/428328806.db2.gz RBMIVYBTYXJIEX-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C)c1 ZINC000433804546 429053277 /nfs/dbraw/zinc/05/32/77/429053277.db2.gz ZLCZVVXDHQTYFW-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML O=S(=O)(CCOCC1CCC1)[N-]c1ccc(Cl)cc1[O-] ZINC000634790320 430113784 /nfs/dbraw/zinc/11/37/84/430113784.db2.gz BPGJKJUVDXUTIN-UHFFFAOYSA-N -2 1 319.810 2.604 20 0 DFADML Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1 ZINC000548261721 430458738 /nfs/dbraw/zinc/45/87/38/430458738.db2.gz SHZZPFBRSMNXSG-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000298241951 280610185 /nfs/dbraw/zinc/61/01/85/280610185.db2.gz NNANZLFWOGUEAA-UHFFFAOYSA-N -2 1 322.386 2.648 20 0 DFADML CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000548525227 301598393 /nfs/dbraw/zinc/59/83/93/301598393.db2.gz VSQUPGIYFIFOON-SNVBAGLBSA-N -2 1 315.391 2.571 20 0 DFADML Cc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000548579694 301598763 /nfs/dbraw/zinc/59/87/63/301598763.db2.gz WUQOYQMGNPXAIH-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1 ZINC000560417486 301893974 /nfs/dbraw/zinc/89/39/74/301893974.db2.gz YUWKEPLOEPITDM-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000314504437 316239805 /nfs/dbraw/zinc/23/98/05/316239805.db2.gz RCNIBTRWLTWBLQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000314147551 601317075 /nfs/dbraw/zinc/31/70/75/601317075.db2.gz VAIFJJHLFOBZTI-FLIBITNWSA-N -2 1 317.366 2.894 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)n1 ZINC000317546808 601770970 /nfs/dbraw/zinc/77/09/70/601770970.db2.gz MHIOTANSEOUNFY-UHFFFAOYSA-N -2 1 320.370 2.506 20 0 DFADML O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000740712830 602645509 /nfs/dbraw/zinc/64/55/09/602645509.db2.gz BEUCSDPLNSZFBS-UHFFFAOYSA-N -2 1 310.306 2.716 20 0 DFADML CN(Cc1cccs1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739718552 602841015 /nfs/dbraw/zinc/84/10/15/602841015.db2.gz COZQIZGONOSRSO-UHFFFAOYSA-N -2 1 306.343 2.816 20 0 DFADML C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000825449009 603402391 /nfs/dbraw/zinc/40/23/91/603402391.db2.gz JMTZNXCELDZSTA-NSHDSACASA-N -2 1 320.370 2.816 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ncc(Cl)s2)c([O-])c1 ZINC000832838223 603922765 /nfs/dbraw/zinc/92/27/65/603922765.db2.gz FYAGROZSZONSMO-UHFFFAOYSA-N -2 1 313.722 2.844 20 0 DFADML C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000825448111 604004648 /nfs/dbraw/zinc/00/46/48/604004648.db2.gz BXRDKNUDYIAUIX-JTQLQIEISA-N -2 1 300.314 2.973 20 0 DFADML O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1ccccc1 ZINC000832079248 604015711 /nfs/dbraw/zinc/01/57/11/604015711.db2.gz GTOCQSDLFMAIRQ-UHFFFAOYSA-N -2 1 318.354 2.528 20 0 DFADML C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000833410992 604719816 /nfs/dbraw/zinc/71/98/16/604719816.db2.gz KFSSKYJJYKIWQJ-ZUZCIYMTSA-N -2 1 317.316 2.723 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000834257982 605654274 /nfs/dbraw/zinc/65/42/74/605654274.db2.gz LIDDFOPYTZPPNO-ZWNOBZJWSA-N -2 1 304.346 2.887 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2cccc(O)c2F)c([O-])c1 ZINC000834255963 605664684 /nfs/dbraw/zinc/66/46/84/605664684.db2.gz LVFMSLYKTIJCCI-UHFFFAOYSA-N -2 1 306.249 2.579 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])cc1C ZINC000478709695 299369249 /nfs/dbraw/zinc/36/92/49/299369249.db2.gz IGBQHBWEHQVNPR-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-])C1CC1 ZINC000629292264 399564841 /nfs/dbraw/zinc/56/48/41/399564841.db2.gz FIOBTFFQYWJZQN-CYBMUJFWSA-N -2 1 319.810 2.602 20 0 DFADML O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)ccc1[O-] ZINC000080023358 542490528 /nfs/dbraw/zinc/49/05/28/542490528.db2.gz NJSTZUFIRWWNEQ-UHFFFAOYSA-N -2 1 315.260 2.539 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357023651 158350496 /nfs/dbraw/zinc/35/04/96/158350496.db2.gz XZEKAULWQGVNBO-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000071171138 425982679 /nfs/dbraw/zinc/98/26/79/425982679.db2.gz BBGRYVYIVJNIKW-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000263127228 427419560 /nfs/dbraw/zinc/41/95/60/427419560.db2.gz CRFUFOFPFVEJQM-BXUZGUMPSA-N -2 1 313.353 2.728 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000356298457 428113947 /nfs/dbraw/zinc/11/39/47/428113947.db2.gz LWJHDQGWAQCEHH-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C(=O)[O-] ZINC000424255255 429114619 /nfs/dbraw/zinc/11/46/19/429114619.db2.gz LSGSOEIWMAXWEI-BZNIZROVSA-N -2 1 313.353 2.871 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(C)o1 ZINC000427318467 429443776 /nfs/dbraw/zinc/44/37/76/429443776.db2.gz CYKQPQFHTUJONJ-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C(=O)[O-] ZINC000647748192 431678217 /nfs/dbraw/zinc/67/82/17/431678217.db2.gz RPMWLAOKZBWNRA-IAQYHMDHSA-N -2 1 313.353 2.728 20 0 DFADML O=C(Nc1cc(Cl)c([O-])cc1F)C(=O)c1ccc([O-])cc1 ZINC000436767057 297032896 /nfs/dbraw/zinc/03/28/96/297032896.db2.gz BIJBDOYHUCWJJB-UHFFFAOYSA-N -2 1 309.680 2.712 20 0 DFADML CCC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000530137381 301020152 /nfs/dbraw/zinc/02/01/52/301020152.db2.gz OROAOZZBWSWBER-UHFFFAOYSA-N -2 1 315.391 2.571 20 0 DFADML O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000542861915 317822399 /nfs/dbraw/zinc/82/23/99/317822399.db2.gz MDPWYUHIYFLOOO-UHFFFAOYSA-N -2 1 319.382 2.895 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])ccc1F ZINC000818853168 597315392 /nfs/dbraw/zinc/31/53/92/597315392.db2.gz LVOIXIJHVOLJIY-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000166533084 600623891 /nfs/dbraw/zinc/62/38/91/600623891.db2.gz DHOODCABLWLONA-UHFFFAOYSA-N -2 1 307.689 2.702 20 0 DFADML O=C([O-])CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000833240062 601210194 /nfs/dbraw/zinc/21/01/94/601210194.db2.gz YHVUNAAKVZYATA-UHFFFAOYSA-N -2 1 319.288 2.637 20 0 DFADML O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000833125645 601820890 /nfs/dbraw/zinc/82/08/90/601820890.db2.gz JXQGLJKXKXMUOT-CYBMUJFWSA-N -2 1 323.707 2.740 20 0 DFADML CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000833478444 604956999 /nfs/dbraw/zinc/95/69/99/604956999.db2.gz FVVHEEYVLZFNRY-JTQLQIEISA-N -2 1 300.742 2.666 20 0 DFADML CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000833456965 605198731 /nfs/dbraw/zinc/19/87/31/605198731.db2.gz FJVLCEGKISKBNJ-UHFFFAOYSA-N -2 1 319.279 2.784 20 0 DFADML C[C@H](CC(=O)Nc1c([O-])cccc1F)C1CCN(C(=O)[O-])CC1 ZINC000824679765 605344630 /nfs/dbraw/zinc/34/46/30/605344630.db2.gz NJUVLCIJMYNXJR-SNVBAGLBSA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])N[C@@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000834128717 605631639 /nfs/dbraw/zinc/63/16/39/605631639.db2.gz VGWVUDGLMHULOM-LBPRGKRZSA-N -2 1 318.304 2.869 20 0 DFADML O=C([O-])Nc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000834265796 605836571 /nfs/dbraw/zinc/83/65/71/605836571.db2.gz CPVZZKIMBUITKK-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000315059780 231137482 /nfs/dbraw/zinc/13/74/82/231137482.db2.gz GAHGSHHWOPUFKD-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000038927935 398558264 /nfs/dbraw/zinc/55/82/64/398558264.db2.gz ACRAHZJBQMDJSY-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000479204305 299373950 /nfs/dbraw/zinc/37/39/50/299373950.db2.gz KSGQETQHGYGBOG-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c1 ZINC000063879090 399211651 /nfs/dbraw/zinc/21/16/51/399211651.db2.gz VVFNIRNUVBLBST-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1 ZINC000063879123 399212377 /nfs/dbraw/zinc/21/23/77/399212377.db2.gz CSBUQCAUXNSQJC-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cc1C ZINC000013313257 542422060 /nfs/dbraw/zinc/42/20/60/542422060.db2.gz LHNCXVRKFJZQGW-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)cc(C(=O)[O-])c1 ZINC000507565022 543421116 /nfs/dbraw/zinc/42/11/16/543421116.db2.gz IXUQOSVRPUFTMI-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000184636843 158035070 /nfs/dbraw/zinc/03/50/70/158035070.db2.gz MOYZEXHQJMYPNY-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000037396372 425848020 /nfs/dbraw/zinc/84/80/20/425848020.db2.gz KMDJFMXZLZODJH-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2)cc1C(=O)[O-] ZINC000089750326 426305643 /nfs/dbraw/zinc/30/56/43/426305643.db2.gz WPASGKHGYJJBNG-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)[O-] ZINC000152919711 426362136 /nfs/dbraw/zinc/36/21/36/426362136.db2.gz DZOAFTGREZSHNX-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML O=C([O-])C1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000262768808 427371021 /nfs/dbraw/zinc/37/10/21/427371021.db2.gz GXJDMROPVRIVDV-UHFFFAOYSA-N -2 1 313.353 2.919 20 0 DFADML COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c([O-])c1 ZINC000387496407 428461536 /nfs/dbraw/zinc/46/15/36/428461536.db2.gz JXZCWDLPDXVBKP-UHFFFAOYSA-N -2 1 301.298 2.660 20 0 DFADML O=C(Nc1ccc(Br)cc1O)c1ncccc1O ZINC000547971762 430433854 /nfs/dbraw/zinc/43/38/54/430433854.db2.gz DRXUQIVJTWQATK-UHFFFAOYSA-N -2 1 309.119 2.508 20 0 DFADML O=C([O-])[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CCC1 ZINC000663153881 431307015 /nfs/dbraw/zinc/30/70/15/431307015.db2.gz UQCKGBUMNYRXFX-OAHLLOKOSA-N -2 1 313.353 2.776 20 0 DFADML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1[O-] ZINC000436728459 297028795 /nfs/dbraw/zinc/02/87/95/297028795.db2.gz LVSMSLKGMWGWKF-UHFFFAOYSA-N -2 1 313.288 2.879 20 0 DFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442845724 297207934 /nfs/dbraw/zinc/20/79/34/297207934.db2.gz IGEPATANVYOQRX-UHFFFAOYSA-N -2 1 317.322 2.932 20 0 DFADML Cc1cc(C)cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000530907106 301071281 /nfs/dbraw/zinc/07/12/81/301071281.db2.gz CLBLLPMLXDUULQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CC[C@@H](Sc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(=O)[O-] ZINC000566294305 302275822 /nfs/dbraw/zinc/27/58/22/302275822.db2.gz XLTKLFHGGFVVLY-LLVKDONJSA-N -2 1 319.386 2.816 20 0 DFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000315552495 533893153 /nfs/dbraw/zinc/89/31/53/533893153.db2.gz NDQYHXYDBXFTIJ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CSc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000738213495 599878868 /nfs/dbraw/zinc/87/88/68/599878868.db2.gz ZEJOEJHHILAZNF-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])[nH]1 ZINC000317377518 600175903 /nfs/dbraw/zinc/17/59/03/600175903.db2.gz PQRPZNYJOXVPEX-UHFFFAOYSA-N -2 1 322.386 2.747 20 0 DFADML CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739713748 602840030 /nfs/dbraw/zinc/84/00/30/602840030.db2.gz QOICDEHORHUVEX-UHFFFAOYSA-N -2 1 300.314 2.754 20 0 DFADML CN(C)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1 ZINC000739616274 602840713 /nfs/dbraw/zinc/84/07/13/602840713.db2.gz JRSQNOBMURNKFT-UHFFFAOYSA-N -2 1 315.329 2.800 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)c([O-])c1 ZINC000740697875 602847209 /nfs/dbraw/zinc/84/72/09/602847209.db2.gz JMTBFNTXEDNJRE-UHFFFAOYSA-N -2 1 322.267 2.690 20 0 DFADML CC(C)Cn1cc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cn1 ZINC000824317837 603975259 /nfs/dbraw/zinc/97/52/59/603975259.db2.gz HBEWUVGILLPAGD-UHFFFAOYSA-N -2 1 318.333 2.587 20 0 DFADML CCSCC[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000827505082 604028403 /nfs/dbraw/zinc/02/84/03/604028403.db2.gz ZSFGVAKCYZDMCL-SECBINFHSA-N -2 1 312.391 2.744 20 0 DFADML C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000833410991 604719962 /nfs/dbraw/zinc/71/99/62/604719962.db2.gz KFSSKYJJYKIWQJ-MEBBXXQBSA-N -2 1 317.316 2.723 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000832833992 605441659 /nfs/dbraw/zinc/44/16/59/605441659.db2.gz SFCKLXIXVNFJPH-VIFPVBQESA-N -2 1 314.288 2.790 20 0 DFADML COCCN(C(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCC1 ZINC000833883865 605641586 /nfs/dbraw/zinc/64/15/86/605641586.db2.gz VJIQNRQYUDHWCI-UHFFFAOYSA-N -2 1 322.361 2.513 20 0 DFADML O=C([O-])NC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000834155077 605848803 /nfs/dbraw/zinc/84/88/03/605848803.db2.gz ZCNCGPHOQQTMIB-UHFFFAOYSA-N -2 1 312.753 2.955 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1F ZINC000042122868 398583681 /nfs/dbraw/zinc/58/36/81/398583681.db2.gz HSVJBDJMEUDPBU-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000096744463 398662783 /nfs/dbraw/zinc/66/27/83/398662783.db2.gz SUYIFFLAQWJUSP-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000387452216 398666528 /nfs/dbraw/zinc/66/65/28/398666528.db2.gz RGGNNNQMTLFUSA-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML CC(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000267864004 206308772 /nfs/dbraw/zinc/30/87/72/206308772.db2.gz JIFACKINLHYKDP-UHFFFAOYSA-N -2 1 315.391 2.570 20 0 DFADML CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-])C1CC1 ZINC000629292265 399564659 /nfs/dbraw/zinc/56/46/59/399564659.db2.gz FIOBTFFQYWJZQN-ZDUSSCGKSA-N -2 1 319.810 2.602 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350484876 543205467 /nfs/dbraw/zinc/20/54/67/543205467.db2.gz XAFVNRLLFPTRJJ-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000070156386 425969143 /nfs/dbraw/zinc/96/91/43/425969143.db2.gz LJJHALUXQIRLQH-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000112335365 426073466 /nfs/dbraw/zinc/07/34/66/426073466.db2.gz DUOAIMGRKUUUAG-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000172605563 271111825 /nfs/dbraw/zinc/11/18/25/271111825.db2.gz VJWGIQQCEPYYFZ-UHFFFAOYSA-N -2 1 319.382 2.850 20 0 DFADML C/C=C\c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000341056655 271777257 /nfs/dbraw/zinc/77/72/57/271777257.db2.gz YGWQDCWKVMIAMM-ARJAWSKDSA-N -2 1 320.370 2.557 20 0 DFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000192466903 427546288 /nfs/dbraw/zinc/54/62/88/427546288.db2.gz UPYZFIPFGUFNKS-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000192701009 427587662 /nfs/dbraw/zinc/58/76/62/427587662.db2.gz FSNKEESORGZYIQ-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000336863858 427766381 /nfs/dbraw/zinc/76/63/81/427766381.db2.gz JFRGCGQMRNINJO-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000356499824 428204915 /nfs/dbraw/zinc/20/49/15/428204915.db2.gz VAPWZCPXULDXNE-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357144217 428407898 /nfs/dbraw/zinc/40/78/98/428407898.db2.gz FWTRTUBFBAUOKV-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000544630190 430287721 /nfs/dbraw/zinc/28/77/21/430287721.db2.gz ITRBNJKWEDUPEE-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(O)cc1F ZINC000568156352 430323225 /nfs/dbraw/zinc/32/32/25/430323225.db2.gz CSNFGLVPBMTNOI-UHFFFAOYSA-N -2 1 313.288 2.879 20 0 DFADML CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000641684888 430441097 /nfs/dbraw/zinc/44/10/97/430441097.db2.gz AAUOKPPFWOELDN-QWHCGFSZSA-N -2 1 319.810 2.745 20 0 DFADML CC(C)[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000655565713 431049867 /nfs/dbraw/zinc/04/98/67/431049867.db2.gz ZMYAYRODIIELFQ-AWEZNQCLSA-N -2 1 301.342 2.632 20 0 DFADML O=C([O-])c1cc(/C=C/c2ccc([O-])c(Br)c2)ncn1 ZINC000533582834 301209480 /nfs/dbraw/zinc/20/94/80/301209480.db2.gz JTOTWMSQCNOZAO-HNQUOIGGSA-N -2 1 321.130 2.813 20 0 DFADML O=C([O-])CSCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000739871184 599923769 /nfs/dbraw/zinc/92/37/69/599923769.db2.gz LQTVZLLKJAPOGT-UHFFFAOYSA-N -2 1 317.366 2.962 20 0 DFADML COc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c([O-])c1 ZINC000737932453 600090860 /nfs/dbraw/zinc/09/08/60/600090860.db2.gz URFWXYDIPVAZCU-UHFFFAOYSA-N -2 1 320.276 2.882 20 0 DFADML O=C([O-])[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000833135905 600781063 /nfs/dbraw/zinc/78/10/63/600781063.db2.gz VRCAQRPFYSGCGX-NSHDSACASA-N -2 1 319.744 2.644 20 0 DFADML O=C([O-])C1(CNC(=O)c2ccc3ccccc3c2[O-])CCCC1 ZINC000321796538 601597735 /nfs/dbraw/zinc/59/77/35/601597735.db2.gz WQVZHJYFZOJVPD-UHFFFAOYSA-N -2 1 313.353 2.920 20 0 DFADML O=C([O-])CCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000050922427 601822238 /nfs/dbraw/zinc/82/22/38/601822238.db2.gz JGDXAAMZUYHNJL-UHFFFAOYSA-N -2 1 311.765 2.763 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C ZINC000832950569 601854676 /nfs/dbraw/zinc/85/46/76/601854676.db2.gz OEOYRVPGCFKLOA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739709940 602839998 /nfs/dbraw/zinc/83/99/98/602839998.db2.gz LGZVTPDVMJGDRX-UHFFFAOYSA-N -2 1 318.304 2.893 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)c([O-])c1 ZINC000740700839 602846269 /nfs/dbraw/zinc/84/62/69/602846269.db2.gz CGEKVPNEYULRHB-UHFFFAOYSA-N -2 1 319.342 2.680 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCc2ccsc2)c([O-])c1 ZINC000740697224 602847010 /nfs/dbraw/zinc/84/70/10/602847010.db2.gz FNLBKWPHRLDBQP-UHFFFAOYSA-N -2 1 306.343 2.516 20 0 DFADML COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1F ZINC000739925029 602850692 /nfs/dbraw/zinc/85/06/92/602850692.db2.gz YYKQMMZZXDECCQ-UHFFFAOYSA-N -2 1 320.276 2.882 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CC(CC(F)(F)F)C2)c([O-])c1 ZINC000832829647 604414061 /nfs/dbraw/zinc/41/40/61/604414061.db2.gz YLIFEMRULSYHNB-UHFFFAOYSA-N -2 1 318.251 2.507 20 0 DFADML O=C([O-])C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000833772492 605285724 /nfs/dbraw/zinc/28/57/24/605285724.db2.gz AEKQICOAVASDLI-CQSZACIVSA-N -2 1 321.279 2.616 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2cc(Cl)ccn2)c([O-])c1 ZINC000834256650 605648341 /nfs/dbraw/zinc/64/83/41/605648341.db2.gz RVADGUOFMLAOGQ-UHFFFAOYSA-N -2 1 307.693 2.783 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000313919293 231127593 /nfs/dbraw/zinc/12/75/93/231127593.db2.gz DGECOAGIHHJKMC-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2)c1C ZINC000000482282 180804849 /nfs/dbraw/zinc/80/48/49/180804849.db2.gz PWZOHCSFAZNOOB-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cc1 ZINC000315657642 543072549 /nfs/dbraw/zinc/07/25/49/543072549.db2.gz OGAZQCOXDMBAOY-UHFFFAOYSA-N -2 1 322.386 2.569 20 0 DFADML C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000184653241 158035165 /nfs/dbraw/zinc/03/51/65/158035165.db2.gz MILQDEZVHCSDFC-GFCCVEGCSA-N -2 1 319.382 2.751 20 0 DFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193476245 268070209 /nfs/dbraw/zinc/07/02/09/268070209.db2.gz JGBNMEOQJWUVFR-UHFFFAOYSA-N -2 1 316.338 2.667 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000320756893 268348665 /nfs/dbraw/zinc/34/86/65/268348665.db2.gz WQGXZHCZQKXNKN-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])C1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000263383982 427475987 /nfs/dbraw/zinc/47/59/87/427475987.db2.gz CGPHFXHIVGTSRT-UHFFFAOYSA-N -2 1 313.353 2.919 20 0 DFADML COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000336862985 427765220 /nfs/dbraw/zinc/76/52/20/427765220.db2.gz HHDAIHPAKSRLAH-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000443463994 429251660 /nfs/dbraw/zinc/25/16/60/429251660.db2.gz KBYXCGSDKPFSLZ-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML C=Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000436479685 297005451 /nfs/dbraw/zinc/00/54/51/297005451.db2.gz XCQZPOLNTZDDIQ-UHFFFAOYSA-N -2 1 321.329 2.968 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])cc1 ZINC000547613295 317855462 /nfs/dbraw/zinc/85/54/62/317855462.db2.gz SQZCEHDKYZTRGG-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000313988132 534826163 /nfs/dbraw/zinc/82/61/63/534826163.db2.gz QXIODUDCPNUKNC-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1O ZINC000680809511 545545719 /nfs/dbraw/zinc/54/57/19/545545719.db2.gz HJQOFKIUODCOFA-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737274725 600092636 /nfs/dbraw/zinc/09/26/36/600092636.db2.gz RGSWCAUQNUJCNY-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CCc1[nH]c(C(=O)Nc2c([O-])cccc2F)c(C)c1C(=O)[O-] ZINC000737244409 600578511 /nfs/dbraw/zinc/57/85/11/600578511.db2.gz OALVXWNAIGBBFD-UHFFFAOYSA-N -2 1 306.293 2.681 20 0 DFADML CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c([O-])c1 ZINC000827117344 601760258 /nfs/dbraw/zinc/76/02/58/601760258.db2.gz BSXJARSDZSUJRO-UHFFFAOYSA-N -2 1 302.330 2.805 20 0 DFADML CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827129806 601784443 /nfs/dbraw/zinc/78/44/43/601784443.db2.gz UIMLXKPGCGGOMJ-UHFFFAOYSA-N -2 1 322.386 2.648 20 0 DFADML O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000050922380 601823000 /nfs/dbraw/zinc/82/30/00/601823000.db2.gz YYEFPQCRWJVSLN-UHFFFAOYSA-N -2 1 311.765 2.763 20 0 DFADML CCc1csc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])n1 ZINC000739552014 602860485 /nfs/dbraw/zinc/86/04/85/602860485.db2.gz GJZTXGFNLQCXCV-UHFFFAOYSA-N -2 1 307.331 2.753 20 0 DFADML CCc1cnc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])s1 ZINC000827616623 603936104 /nfs/dbraw/zinc/93/61/04/603936104.db2.gz QWDWXXGPVHCKGY-UHFFFAOYSA-N -2 1 307.331 2.753 20 0 DFADML O=C([O-])N(CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000831450770 605345488 /nfs/dbraw/zinc/34/54/88/605345488.db2.gz HVJOYLLFHMUXAT-UHFFFAOYSA-N -2 1 304.277 2.654 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000834257981 605654038 /nfs/dbraw/zinc/65/40/38/605654038.db2.gz LIDDFOPYTZPPNO-MFKMUULPSA-N -2 1 304.346 2.887 20 0 DFADML O=C([O-])N1CCC(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000833988356 605767490 /nfs/dbraw/zinc/76/74/90/605767490.db2.gz SKXBACLOGXZDAX-UHFFFAOYSA-N -2 1 312.753 2.764 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000060800186 399143327 /nfs/dbraw/zinc/14/33/27/399143327.db2.gz ORVLZYGCQXTULQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])CCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000016905226 182064421 /nfs/dbraw/zinc/06/44/21/182064421.db2.gz ZETIZEGZXKFIJJ-JXMROGBWSA-N -2 1 309.368 2.869 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc(C(=O)[O-])c1 ZINC000507618267 543421080 /nfs/dbraw/zinc/42/10/80/543421080.db2.gz SABBPYHJRRWTKT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000320552758 268347573 /nfs/dbraw/zinc/34/75/73/268347573.db2.gz SMONSRASDXGHPL-LBPRGKRZSA-N -2 1 313.353 2.872 20 0 DFADML C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000263127237 427418798 /nfs/dbraw/zinc/41/87/98/427418798.db2.gz CRFUFOFPFVEJQM-SMDDNHRTSA-N -2 1 313.353 2.728 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000336868257 427767780 /nfs/dbraw/zinc/76/77/80/427767780.db2.gz WDRRBNXOPKFYIX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000548592613 301599006 /nfs/dbraw/zinc/59/90/06/301599006.db2.gz OZIVDRHRMQLTTH-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000818829652 597452545 /nfs/dbraw/zinc/45/25/45/597452545.db2.gz HOTPRAQFNBDZFP-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML C[C@H](CN(C(=O)c1cc2ccccc2cc1[O-])C1CC1)C(=O)[O-] ZINC000736566680 599920562 /nfs/dbraw/zinc/92/05/62/599920562.db2.gz VOKOQILPQIYCHR-LLVKDONJSA-N -2 1 313.353 2.871 20 0 DFADML CN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739707227 602840980 /nfs/dbraw/zinc/84/09/80/602840980.db2.gz JWONOGFIFDECBP-UHFFFAOYSA-N -2 1 318.304 2.893 20 0 DFADML O=C([O-])C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000833773074 605262585 /nfs/dbraw/zinc/26/25/85/605262585.db2.gz OOJNZRSJHHHSOI-LLVKDONJSA-N -2 1 309.318 2.539 20 0 DFADML C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685404 605407142 /nfs/dbraw/zinc/40/71/42/605407142.db2.gz MBLUSUMYPDJHSD-WDEREUQCSA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c([O-])c1 ZINC000834256862 605645941 /nfs/dbraw/zinc/64/59/41/605645941.db2.gz SHXWDHKXCYEGRN-UHFFFAOYSA-N -2 1 312.285 2.611 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2c(O)cccc2F)c([O-])c1 ZINC000834255502 605713127 /nfs/dbraw/zinc/71/31/27/605713127.db2.gz JOTRVHWWRNWQTG-UHFFFAOYSA-N -2 1 306.249 2.579 20 0 DFADML C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000833825428 606081312 /nfs/dbraw/zinc/08/13/12/606081312.db2.gz BSUUNDGKWVJPOM-ZUZCIYMTSA-N -2 1 310.325 2.686 20 0 DFADML O=C([O-])Nc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000834271967 606098190 /nfs/dbraw/zinc/09/81/90/606098190.db2.gz HGRICQQJBGLQME-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML COc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1C(=O)[O-] ZINC000320258317 231191745 /nfs/dbraw/zinc/19/17/45/231191745.db2.gz XRNVNCAMMVUFRA-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000071415284 282508225 /nfs/dbraw/zinc/50/82/25/282508225.db2.gz XGURSFSREBJRNQ-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000317616367 398536822 /nfs/dbraw/zinc/53/68/22/398536822.db2.gz SZRJNMCHCPUVQQ-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000041705567 398571298 /nfs/dbraw/zinc/57/12/98/398571298.db2.gz HEDSVCZQICIOFZ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)s1 ZINC000063009421 184266060 /nfs/dbraw/zinc/26/60/60/184266060.db2.gz TXTPGUGEUNYWGD-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000175111011 145398459 /nfs/dbraw/zinc/39/84/59/145398459.db2.gz RRGNHCBNOYUEEX-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C(Nc1c([O-])cccc1F)c1cc(F)c(F)c([O-])c1F ZINC000679653101 544890627 /nfs/dbraw/zinc/89/06/27/544890627.db2.gz ZPVGESHLWKZBHO-UHFFFAOYSA-N -2 1 301.195 2.907 20 0 DFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000037377024 425847624 /nfs/dbraw/zinc/84/76/24/425847624.db2.gz TZTXYNBEHAQLSX-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000187165195 426635072 /nfs/dbraw/zinc/63/50/72/426635072.db2.gz PFYPOCOCJPAQIZ-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML O=C(Nc1ccc(F)cc1[O-])c1cc(F)c(F)c([O-])c1F ZINC000542650426 430218600 /nfs/dbraw/zinc/21/86/00/430218600.db2.gz OSRNTMXQSXMRIP-UHFFFAOYSA-N -2 1 301.195 2.907 20 0 DFADML O=C([O-])[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CCC1 ZINC000663153880 431307705 /nfs/dbraw/zinc/30/77/05/431307705.db2.gz UQCKGBUMNYRXFX-HNNXBMFYSA-N -2 1 313.353 2.776 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442847774 297207930 /nfs/dbraw/zinc/20/79/30/297207930.db2.gz LXGZQNCLOBSQFA-UHFFFAOYSA-N -2 1 317.322 2.932 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000387694468 323327416 /nfs/dbraw/zinc/32/74/16/323327416.db2.gz GSNZMXQZVUFVLX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818772662 597312830 /nfs/dbraw/zinc/31/28/30/597312830.db2.gz FTSVOKLNHCWFIA-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2ccccc2cc1[O-] ZINC000828638536 601133563 /nfs/dbraw/zinc/13/35/63/601133563.db2.gz RASGWJXAXJITEN-KRWDZBQOSA-N -2 1 301.342 2.919 20 0 DFADML O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000322689578 601211193 /nfs/dbraw/zinc/21/11/93/601211193.db2.gz IZFLIPNGJVGZIP-SNVBAGLBSA-N -2 1 315.300 2.750 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCc3occc32)c([O-])c1 ZINC000740700035 602848070 /nfs/dbraw/zinc/84/80/70/602848070.db2.gz ZPMHAWMSHOQDTJ-GFCCVEGCSA-N -2 1 316.313 2.883 20 0 DFADML CCO[C@H](CCNC(=O)c1ccc(NC(=O)[O-])cc1[O-])C(C)C ZINC000827372600 603895139 /nfs/dbraw/zinc/89/51/39/603895139.db2.gz RLSQRJXETONISP-CQSZACIVSA-N -2 1 324.377 2.663 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2cc(F)ccc2O)c([O-])c1 ZINC000832838548 604117933 /nfs/dbraw/zinc/11/79/33/604117933.db2.gz JVRCABWLPAOANF-UHFFFAOYSA-N -2 1 306.249 2.579 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc(O)cc2F)c([O-])c1 ZINC000834256408 605990248 /nfs/dbraw/zinc/99/02/48/605990248.db2.gz PBVQTLDDFIKXHJ-UHFFFAOYSA-N -2 1 306.249 2.579 20 0 DFADML O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000834273340 606099876 /nfs/dbraw/zinc/09/98/76/606099876.db2.gz LGJFEBARRQLTTG-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000319095716 231180397 /nfs/dbraw/zinc/18/03/97/231180397.db2.gz DBUUCWKLWQZGSI-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1F ZINC000065844613 398347462 /nfs/dbraw/zinc/34/74/62/398347462.db2.gz KLKDPASMGZILCA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000317885569 529698957 /nfs/dbraw/zinc/69/89/57/529698957.db2.gz AEHDOYHYBWJUOM-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000078711103 398981558 /nfs/dbraw/zinc/98/15/58/398981558.db2.gz CPUSONMWZDBBMT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000043321375 183354916 /nfs/dbraw/zinc/35/49/16/183354916.db2.gz VXDDEYGTQVINBY-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000316547887 533352273 /nfs/dbraw/zinc/35/22/73/533352273.db2.gz CZPIRGBSPRCPLW-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1Cl ZINC000231658248 146016890 /nfs/dbraw/zinc/01/68/90/146016890.db2.gz CDGQMRDRFFXVQN-UHFFFAOYSA-N -2 1 317.775 2.901 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000059880777 425898798 /nfs/dbraw/zinc/89/87/98/425898798.db2.gz FEDOQRDOTXPQGZ-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000071171188 425983438 /nfs/dbraw/zinc/98/34/38/425983438.db2.gz UPOBWDDWDQXIGZ-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000112334677 426072986 /nfs/dbraw/zinc/07/29/86/426072986.db2.gz NPVDVHAMQOGUIU-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000263127233 427418715 /nfs/dbraw/zinc/41/87/15/427418715.db2.gz CRFUFOFPFVEJQM-RISCZKNCSA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1F ZINC000192844340 427622092 /nfs/dbraw/zinc/62/20/92/427622092.db2.gz SVSLDLIHLLRVBE-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(=O)[O-] ZINC000336851461 427758237 /nfs/dbraw/zinc/75/82/37/427758237.db2.gz RNAOOTNXAAEVKI-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000337036762 427791222 /nfs/dbraw/zinc/79/12/22/427791222.db2.gz JMTLKOWUXMXNRM-UHFFFAOYSA-N -2 1 321.354 2.584 20 0 DFADML C/C=C/c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000341053814 427981038 /nfs/dbraw/zinc/98/10/38/427981038.db2.gz UQLAYLPNLYCUOL-NSCUHMNNSA-N -2 1 306.343 2.547 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1F ZINC000357106093 428389504 /nfs/dbraw/zinc/38/95/04/428389504.db2.gz PXDKCAUYAVYZOW-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCc1nc(C)c([N-]S(=O)(=O)c2cc([O-])cc(F)c2)s1 ZINC000634791674 430114086 /nfs/dbraw/zinc/11/40/86/430114086.db2.gz KFWOXNCUHQHWKM-UHFFFAOYSA-N -2 1 316.379 2.659 20 0 DFADML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000530888015 301070004 /nfs/dbraw/zinc/07/00/04/301070004.db2.gz IZERGSOOVMBRSA-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML CCCC[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)[O-] ZINC000829295281 600838649 /nfs/dbraw/zinc/83/86/49/600838649.db2.gz AXBYATULYQCHTN-LURJTMIESA-N -2 1 310.297 2.937 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737266061 600093063 /nfs/dbraw/zinc/09/30/63/600093063.db2.gz FWXOVSMTTYWYMM-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cn1cc(NC(=O)c2ccc3ccccc3c2[O-])cc1C(=O)[O-] ZINC000833052353 601760936 /nfs/dbraw/zinc/76/09/36/601760936.db2.gz ULAOUVHVESTVAB-UHFFFAOYSA-N -2 1 310.309 2.834 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCc2cccc(F)c2)c([O-])c1 ZINC000740697185 602843844 /nfs/dbraw/zinc/84/38/44/602843844.db2.gz CVJDFFDYCMFJOT-UHFFFAOYSA-N -2 1 318.304 2.594 20 0 DFADML CC[C@](NC(=O)c1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833643287 604708104 /nfs/dbraw/zinc/70/81/04/604708104.db2.gz QULRRIYSDQGDEJ-QGZVFWFLSA-N -2 1 317.316 2.651 20 0 DFADML C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000833411092 605266801 /nfs/dbraw/zinc/26/68/01/605266801.db2.gz LNRBVKDQYNQBKC-ZUZCIYMTSA-N -2 1 317.316 2.723 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000319389908 231184178 /nfs/dbraw/zinc/18/41/78/231184178.db2.gz KWUHDCGHTZKSQU-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])cc1C ZINC000478678710 299368850 /nfs/dbraw/zinc/36/88/50/299368850.db2.gz HRIIWBUUGZWRAO-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013348984 181845629 /nfs/dbraw/zinc/84/56/29/181845629.db2.gz OSUGZQSUBSTXPI-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000045945452 183537845 /nfs/dbraw/zinc/53/78/45/183537845.db2.gz OJOVYVASYCWBKJ-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000112668548 194499239 /nfs/dbraw/zinc/49/92/39/194499239.db2.gz VVIUQCCIDPUTMA-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000320021620 533618723 /nfs/dbraw/zinc/61/87/23/533618723.db2.gz SBKHKVXZGBXOQK-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000507552260 543421169 /nfs/dbraw/zinc/42/11/69/543421169.db2.gz PWRTXQANAGCTFZ-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000185569969 158064350 /nfs/dbraw/zinc/06/43/50/158064350.db2.gz PHWSLQYLVJWCMJ-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000078364998 426167531 /nfs/dbraw/zinc/16/75/31/426167531.db2.gz HAMDVGLCKDIUEX-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000187190453 426636820 /nfs/dbraw/zinc/63/68/20/426636820.db2.gz YZMPECFTYUIHIE-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c([O-])c1 ZINC000314472604 426929349 /nfs/dbraw/zinc/92/93/49/426929349.db2.gz MKMUOHAUVXXGEO-UHFFFAOYSA-N -2 1 301.298 2.660 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC000345099152 272407601 /nfs/dbraw/zinc/40/76/01/272407601.db2.gz WPJBTMDRXPIZSX-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])ccc1F ZINC000342289157 428385010 /nfs/dbraw/zinc/38/50/10/428385010.db2.gz WBWZSRPCJJPZLV-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccc(CC)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000435974203 429174056 /nfs/dbraw/zinc/17/40/56/429174056.db2.gz HHQBEWMTXPNOJB-UHFFFAOYSA-N -2 1 322.386 2.639 20 0 DFADML O=C([O-])C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000562622217 430154629 /nfs/dbraw/zinc/15/46/29/430154629.db2.gz OJHVXLIRYJTVEB-GFCCVEGCSA-N -2 1 313.353 2.872 20 0 DFADML CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000547876742 430431188 /nfs/dbraw/zinc/43/11/88/430431188.db2.gz IXKYDHSXZYRNJH-UHFFFAOYSA-N -2 1 321.354 2.939 20 0 DFADML Cc1oncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479339 297005324 /nfs/dbraw/zinc/00/53/24/297005324.db2.gz VDFJLDHXIZYSNW-UHFFFAOYSA-N -2 1 322.264 2.508 20 0 DFADML O=C([O-])c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000321736338 600477650 /nfs/dbraw/zinc/47/76/50/600477650.db2.gz UCBFHLNEHYCNEZ-UHFFFAOYSA-N -2 1 311.293 2.767 20 0 DFADML Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832879002 601854604 /nfs/dbraw/zinc/85/46/04/601854604.db2.gz MFASIVGQZRXCHX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCc2cccs2)c([O-])c1 ZINC000740697195 602840046 /nfs/dbraw/zinc/84/00/46/602840046.db2.gz DDRMCHOCRIVPPI-UHFFFAOYSA-N -2 1 306.343 2.516 20 0 DFADML COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1 ZINC000739923923 602841669 /nfs/dbraw/zinc/84/16/69/602841669.db2.gz NJWJBLSNRQQNRB-UHFFFAOYSA-N -2 1 302.286 2.743 20 0 DFADML C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000825442932 603546038 /nfs/dbraw/zinc/54/60/38/603546038.db2.gz TVNZRKYVAYJQMH-VIFPVBQESA-N -2 1 316.313 2.679 20 0 DFADML CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000833685595 604706751 /nfs/dbraw/zinc/70/67/51/604706751.db2.gz OAYKKGFIEPVIJP-UHFFFAOYSA-N -2 1 304.277 2.898 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c([O-])c1 ZINC000834256383 605628504 /nfs/dbraw/zinc/62/85/04/605628504.db2.gz OUGJDMNFQRYNDQ-UHFFFAOYSA-N -2 1 312.285 2.611 20 0 DFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000066290279 398367122 /nfs/dbraw/zinc/36/71/22/398367122.db2.gz MONUJCQOOVZURF-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000317814307 398536504 /nfs/dbraw/zinc/53/65/04/398536504.db2.gz DBRKCIHPUYZLQW-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1F ZINC000042122709 398583494 /nfs/dbraw/zinc/58/34/94/398583494.db2.gz UJBQIXRDCSQIFV-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(C)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000078711046 398982093 /nfs/dbraw/zinc/98/20/93/398982093.db2.gz COAFSRKEFSKDSI-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC000060800234 399143852 /nfs/dbraw/zinc/14/38/52/399143852.db2.gz PHYRHXGYKJTHRO-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000061117818 184162678 /nfs/dbraw/zinc/16/26/78/184162678.db2.gz AVYAZFTZQNECBS-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000316924961 533352173 /nfs/dbraw/zinc/35/21/73/533352173.db2.gz VZJWGZQTPWBTIF-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000361999122 149273114 /nfs/dbraw/zinc/27/31/14/149273114.db2.gz HNKCPEVJVCPJFA-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000187504303 426667264 /nfs/dbraw/zinc/66/72/64/426667264.db2.gz GMZPPFYOHZWVDI-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML CC(C)(CCC(=O)[O-])NC(=O)c1cc2ccccc2cc1[O-] ZINC000263581488 427524029 /nfs/dbraw/zinc/52/40/29/427524029.db2.gz XFZWOZZBNJIZCA-UHFFFAOYSA-N -2 1 301.342 2.919 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c(C)c1C(=O)[O-] ZINC000342776788 272052700 /nfs/dbraw/zinc/05/27/00/272052700.db2.gz IDEMRVPGWKEKGF-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000356475966 428196197 /nfs/dbraw/zinc/19/61/97/428196197.db2.gz JAIZOHXLCKXBFC-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(C)o1 ZINC000345095939 428751463 /nfs/dbraw/zinc/75/14/63/428751463.db2.gz BAAZKEXXJAKOPV-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(F)ccc1[O-] ZINC000317330043 601208822 /nfs/dbraw/zinc/20/88/22/601208822.db2.gz XCGUQEKXJCMHHJ-UHFFFAOYSA-N -2 1 303.289 2.502 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCCc2ccccc2)c([O-])c1 ZINC000740699874 602840562 /nfs/dbraw/zinc/84/05/62/602840562.db2.gz WTSWWQDDZYGLFK-UHFFFAOYSA-N -2 1 314.341 2.845 20 0 DFADML Cc1nc(C)c(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])s1 ZINC000830727108 603801947 /nfs/dbraw/zinc/80/19/47/603801947.db2.gz GQGGWNVGEPDYNZ-UHFFFAOYSA-N -2 1 307.331 2.808 20 0 DFADML CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCS1 ZINC000824164944 604018542 /nfs/dbraw/zinc/01/85/42/604018542.db2.gz RIWZOEOTYHJHQE-CYBMUJFWSA-N -2 1 324.402 2.696 20 0 DFADML O=C([O-])N1CCc2c1cccc2NC(=O)c1cc(F)ccc1[O-] ZINC000831793968 604021872 /nfs/dbraw/zinc/02/18/72/604021872.db2.gz STRGMZKNPKHVBW-UHFFFAOYSA-N -2 1 316.288 2.824 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3nccnc3c2)c([O-])c1 ZINC000834256364 605643246 /nfs/dbraw/zinc/64/32/46/605643246.db2.gz OPOGKTTXJIPQTB-UHFFFAOYSA-N -2 1 324.296 2.678 20 0 DFADML O=C([O-])N[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000834256730 605768390 /nfs/dbraw/zinc/76/83/90/605768390.db2.gz VABJLGGQUHXYEF-ZDUSSCGKSA-N -2 1 320.732 2.993 20 0 DFADML CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)[O-] ZINC000270000519 542963159 /nfs/dbraw/zinc/96/31/59/542963159.db2.gz MULGOKPMEWUDBZ-UHFFFAOYSA-N -2 1 322.386 2.624 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000074842733 145193809 /nfs/dbraw/zinc/19/38/09/145193809.db2.gz ILNCQVREPMJZJC-UHFFFAOYSA-N -2 1 316.338 2.667 20 0 DFADML C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000263162726 296633213 /nfs/dbraw/zinc/63/32/13/296633213.db2.gz IMRINFYQBPLVMJ-BXUZGUMPSA-N -2 1 313.353 2.871 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357033440 158352781 /nfs/dbraw/zinc/35/27/81/158352781.db2.gz XNHYYXPHOVKGTC-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000014965010 425777042 /nfs/dbraw/zinc/77/70/42/425777042.db2.gz BUWBVEJQFXVJCT-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 in-vivo DFADML C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C(=O)[O-] ZINC000324055536 268349899 /nfs/dbraw/zinc/34/98/99/268349899.db2.gz BNKBLXKCZJKRDO-NHYWBVRUSA-N -2 1 313.353 2.871 20 0 DFADML CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000337034555 268458137 /nfs/dbraw/zinc/45/81/37/268458137.db2.gz HWAVMMWZXLDEGN-UHFFFAOYSA-N -2 1 321.354 2.584 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000074842541 426057055 /nfs/dbraw/zinc/05/70/55/426057055.db2.gz BODNCYPOLCZAEI-UHFFFAOYSA-N -2 1 316.338 2.667 20 0 DFADML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000072077939 426009675 /nfs/dbraw/zinc/00/96/75/426009675.db2.gz JIAQJRHZYMNSFG-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C(N=c1nc(-c2ccccc2)[n-]s1)[N-]O[C@H]1CCCCO1 ZINC000152833042 426355797 /nfs/dbraw/zinc/35/57/97/426355797.db2.gz QNLVPYACWIZFLB-NSHDSACASA-N -2 1 320.374 2.785 20 0 DFADML CCCc1[n-]n(-c2ccc(C(=O)[O-])cc2OC)c(=O)c1CC ZINC000634612439 430052677 /nfs/dbraw/zinc/05/26/77/430052677.db2.gz YHEWELGJXOLRQU-NSHDSACASA-N -2 1 304.346 2.922 20 0 DFADML C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C(=O)[O-] ZINC000647748193 431678345 /nfs/dbraw/zinc/67/83/45/431678345.db2.gz RPMWLAOKZBWNRA-NHYWBVRUSA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(O)c1 ZINC000436477173 297005274 /nfs/dbraw/zinc/00/52/74/297005274.db2.gz HGDQZRNESUYXAC-UHFFFAOYSA-N -2 1 313.762 2.860 20 0 DFADML C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C(=O)[O-] ZINC000577850601 318221536 /nfs/dbraw/zinc/22/15/36/318221536.db2.gz DHZLFWOEBWNUOQ-XHDPSFHLSA-N -2 1 313.353 2.728 20 0 DFADML O=C([O-])[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000821458153 598147248 /nfs/dbraw/zinc/14/72/48/598147248.db2.gz NLCSZQLFHOBMLN-ZDUSSCGKSA-N -2 1 305.717 2.601 20 0 DFADML Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000832930268 600983235 /nfs/dbraw/zinc/98/32/35/600983235.db2.gz UAZMEKCKRNPRKI-VQHVLOKHSA-N -2 1 318.354 2.501 20 0 DFADML O=C([O-])Nc1ccc(CCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000833288118 601212048 /nfs/dbraw/zinc/21/20/48/601212048.db2.gz UOZYIEURXKXTBK-UHFFFAOYSA-N -2 1 318.304 2.594 20 0 DFADML O=C([O-])c1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000833328718 602060187 /nfs/dbraw/zinc/06/01/87/602060187.db2.gz BIGCXNACTYPJRL-UHFFFAOYSA-N -2 1 305.717 2.674 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1 ZINC000740697605 602857993 /nfs/dbraw/zinc/85/79/93/602857993.db2.gz GEJYMXKGRSRMRF-UHFFFAOYSA-N -2 1 316.288 2.824 20 0 DFADML CCCCCOC1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000826826344 603947025 /nfs/dbraw/zinc/94/70/25/603947025.db2.gz RMTBVBAUJGQWRI-UHFFFAOYSA-N -2 1 322.361 2.513 20 0 DFADML CCc1[nH]c(C(=O)Nc2ccc(F)cc2[O-])c(C)c1C(=O)[O-] ZINC000830196536 604707738 /nfs/dbraw/zinc/70/77/38/604707738.db2.gz MWPUUDSKULDYDM-UHFFFAOYSA-N -2 1 306.293 2.681 20 0 DFADML O=C([O-])c1ccnc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000833335163 604972171 /nfs/dbraw/zinc/97/21/71/604972171.db2.gz OZCKKCHTHRUYSI-UHFFFAOYSA-N -2 1 301.689 2.749 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC(C(F)F)CC2)c([O-])c1 ZINC000832829681 605415469 /nfs/dbraw/zinc/41/54/69/605415469.db2.gz ZJVHODMRTLEQKQ-UHFFFAOYSA-N -2 1 314.288 2.599 20 0 DFADML O=C([O-])NCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000834207091 605848594 /nfs/dbraw/zinc/84/85/94/605848594.db2.gz PPCVISZPEVFUQR-UHFFFAOYSA-N -2 1 312.753 2.812 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000319007829 231178761 /nfs/dbraw/zinc/17/87/61/231178761.db2.gz OMHWZISMBKRUEH-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000317276233 398534690 /nfs/dbraw/zinc/53/46/90/398534690.db2.gz SINQNNPAQBCOPJ-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000071415289 398612119 /nfs/dbraw/zinc/61/21/19/398612119.db2.gz NMERZLAZRDFWQI-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cc1 ZINC000012970511 542422128 /nfs/dbraw/zinc/42/21/28/542422128.db2.gz AZJFULZMQKFZJU-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320670206 268347569 /nfs/dbraw/zinc/34/75/69/268347569.db2.gz NBTJMHLZKSFWAQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C(=O)[O-] ZINC000152973341 426364126 /nfs/dbraw/zinc/36/41/26/426364126.db2.gz OMFDIIRIYUTYIV-UHFFFAOYSA-N -2 1 311.384 2.810 20 0 DFADML Cc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427289970 429442734 /nfs/dbraw/zinc/44/27/34/429442734.db2.gz SKGMOBCUHSNUDV-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485275583 429744397 /nfs/dbraw/zinc/74/43/97/429744397.db2.gz NOTHMWDJNNVXLA-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc(C)c1F ZINC000543651073 430258024 /nfs/dbraw/zinc/25/80/24/430258024.db2.gz FPJKUDLPNVBSFW-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CC(C)(C(=O)[O-])n1cc([N-]c2nc(C3CCCC3)ns2)cn1 ZINC000662894847 431233585 /nfs/dbraw/zinc/23/35/85/431233585.db2.gz HDCYXKPMBDMPRA-UHFFFAOYSA-N -2 1 321.406 2.956 20 0 DFADML C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C(=O)[O-] ZINC000647748194 431678274 /nfs/dbraw/zinc/67/82/74/431678274.db2.gz RPMWLAOKZBWNRA-XHDPSFHLSA-N -2 1 313.353 2.728 20 0 DFADML O=C(Nc1cc(F)cc(Cl)c1[O-])C(=O)c1ccc([O-])cc1 ZINC000436908884 297044046 /nfs/dbraw/zinc/04/40/46/297044046.db2.gz WZFPWCDHPJBMBS-UHFFFAOYSA-N -2 1 309.680 2.712 20 0 DFADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C ZINC000548534221 301598333 /nfs/dbraw/zinc/59/83/33/301598333.db2.gz ANHHENAOLURJOP-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000562622218 301980150 /nfs/dbraw/zinc/98/01/50/301980150.db2.gz OJHVXLIRYJTVEB-LBPRGKRZSA-N -2 1 313.353 2.872 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCc3ccccc3C2)c([O-])c1 ZINC000740699100 602839735 /nfs/dbraw/zinc/83/97/35/602839735.db2.gz PWVKSIKJJHEFNF-UHFFFAOYSA-N -2 1 312.325 2.681 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NC[C@H]2Cc3ccccc32)c([O-])c1 ZINC000740698717 602851672 /nfs/dbraw/zinc/85/16/72/602851672.db2.gz OXWLFBNMMFUBJB-LLVKDONJSA-N -2 1 312.325 2.552 20 0 DFADML CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000740003383 602867770 /nfs/dbraw/zinc/86/77/70/602867770.db2.gz WLNABLOLQPXYDC-MWLCHTKSSA-N -2 1 324.402 2.886 20 0 DFADML CC(C)[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCS1 ZINC000824164946 604018583 /nfs/dbraw/zinc/01/85/83/604018583.db2.gz RIWZOEOTYHJHQE-ZDUSSCGKSA-N -2 1 324.402 2.696 20 0 DFADML O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000832325939 604033838 /nfs/dbraw/zinc/03/38/38/604033838.db2.gz PFXFFYAOKUBOEJ-DTWKUNHWSA-N -2 1 312.753 2.811 20 0 DFADML Cc1cnc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2[O-])s1 ZINC000830624868 604068869 /nfs/dbraw/zinc/06/88/69/604068869.db2.gz NDCMHFHYZPKZFS-MRVPVSSYSA-N -2 1 321.358 2.738 20 0 DFADML CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc([O-])cc1F ZINC000833680447 605015994 /nfs/dbraw/zinc/01/59/94/605015994.db2.gz JLTRUFVZHANJJW-UHFFFAOYSA-N -2 1 308.261 2.742 20 0 DFADML C[C@H](CC(=O)Nc1ccc(F)cc1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685402 605407266 /nfs/dbraw/zinc/40/72/66/605407266.db2.gz MBLUSUMYPDJHSD-MNOVXSKESA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2n[nH]c3ccccc32)c([O-])c1 ZINC000834254934 605631351 /nfs/dbraw/zinc/63/13/51/605631351.db2.gz FKJFIIYSMPXYCN-UHFFFAOYSA-N -2 1 312.285 2.611 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000318850057 529542503 /nfs/dbraw/zinc/54/25/03/529542503.db2.gz GHXDEWQKAGNMCD-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000113456702 426115097 /nfs/dbraw/zinc/11/50/97/426115097.db2.gz WXECPJVSNSSERN-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000088715178 426278682 /nfs/dbraw/zinc/27/86/82/426278682.db2.gz JRWZOZIRGQKWAO-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263518828 427507455 /nfs/dbraw/zinc/50/74/55/427507455.db2.gz PXOGHGFHVQNMFO-YPMHNXCESA-N -2 1 313.353 2.871 20 0 DFADML CC(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000298243409 427545912 /nfs/dbraw/zinc/54/59/12/427545912.db2.gz QFHWAOIBKUSNDA-UHFFFAOYSA-N -2 1 322.386 2.648 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362296902 428691825 /nfs/dbraw/zinc/69/18/25/428691825.db2.gz BJCVRFMYFYNBGD-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML O=S(=O)([N-]c1scnc1C1CC1)c1cc([O-])cc(F)c1 ZINC000634790515 430114627 /nfs/dbraw/zinc/11/46/27/430114627.db2.gz KJBUDIDUVOZHGL-UHFFFAOYSA-N -2 1 314.363 2.666 20 0 DFADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000547545967 430403757 /nfs/dbraw/zinc/40/37/57/430403757.db2.gz YFGRGIWQRYKOKZ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])c1 ZINC000548259705 430458628 /nfs/dbraw/zinc/45/86/28/430458628.db2.gz UVOCHDLZHDYXML-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1nc(C=Cc2ccc([O-])c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000436815255 297036698 /nfs/dbraw/zinc/03/66/98/297036698.db2.gz KJNXKNNZNPHSQB-HWKANZROSA-N -2 1 320.732 2.647 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C)c1C(=O)[O-] ZINC000156342072 295334846 /nfs/dbraw/zinc/33/48/46/295334846.db2.gz VVXKQIVLQPNXLU-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314298681 528200094 /nfs/dbraw/zinc/20/00/94/528200094.db2.gz DKQCFRZIEWSHJU-UHFFFAOYSA-N -2 1 322.386 2.648 20 0 DFADML C[C@@H](CN(C(=O)c1cc2ccccc2cc1[O-])C1CC1)C(=O)[O-] ZINC000736566683 599920446 /nfs/dbraw/zinc/92/04/46/599920446.db2.gz VOKOQILPQIYCHR-NSHDSACASA-N -2 1 313.353 2.871 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000737270008 600092755 /nfs/dbraw/zinc/09/27/55/600092755.db2.gz NPSVLRJJESFSAV-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832926299 601854625 /nfs/dbraw/zinc/85/46/25/601854625.db2.gz LZINMCQLLHHGSV-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000740715997 602653868 /nfs/dbraw/zinc/65/38/68/602653868.db2.gz JWLJMZMIPGZGAK-UHFFFAOYSA-N -2 1 310.306 2.716 20 0 DFADML CN(Cc1ccc(F)cc1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739709720 602840856 /nfs/dbraw/zinc/84/08/56/602840856.db2.gz KNXWXEMZZCALGN-UHFFFAOYSA-N -2 1 318.304 2.893 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2cccc(F)c2)c([O-])c1 ZINC000740697807 602847033 /nfs/dbraw/zinc/84/70/33/602847033.db2.gz GYGXKXDYDHGYOF-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c([O-])c1 ZINC000740700380 602848121 /nfs/dbraw/zinc/84/81/21/602848121.db2.gz KBVKSLPIJOSGON-UHFFFAOYSA-N -2 1 314.297 2.669 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c([O-])c1 ZINC000740699690 602856108 /nfs/dbraw/zinc/85/61/08/602856108.db2.gz WXPNEAAHSDEWMU-UONOGXRCSA-N -2 1 312.325 2.768 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCCOC2CCCC2)c([O-])c1 ZINC000740697439 602858036 /nfs/dbraw/zinc/85/80/36/602858036.db2.gz FTFJNOHTWAVBLD-UHFFFAOYSA-N -2 1 322.361 2.561 20 0 DFADML CS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000740003385 602867684 /nfs/dbraw/zinc/86/76/84/602867684.db2.gz WLNABLOLQPXYDC-ONGXEEELSA-N -2 1 324.402 2.886 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1 ZINC000834257600 605650365 /nfs/dbraw/zinc/65/03/65/605650365.db2.gz WHMPWSBVRMJSKS-UHFFFAOYSA-N -2 1 304.346 2.744 20 0 DFADML C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000833825426 606081032 /nfs/dbraw/zinc/08/10/32/606081032.db2.gz BSUUNDGKWVJPOM-BONVTDFDSA-N -2 1 310.325 2.686 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1C(=O)[O-] ZINC000314737124 231132708 /nfs/dbraw/zinc/13/27/08/231132708.db2.gz HDVHYEYSKZVXQT-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000476428359 299354774 /nfs/dbraw/zinc/35/47/74/299354774.db2.gz ZESVNYNRMYJTKA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000091509361 193067179 /nfs/dbraw/zinc/06/71/79/193067179.db2.gz CFHIJQJOWCOEOF-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000064467700 399225124 /nfs/dbraw/zinc/22/51/24/399225124.db2.gz FOBTXCURKKHXEE-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000270026424 542962833 /nfs/dbraw/zinc/96/28/33/542962833.db2.gz XATDRODKZXXXPF-UHFFFAOYSA-N -2 1 322.386 2.624 20 0 DFADML CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000315579231 543071896 /nfs/dbraw/zinc/07/18/96/543071896.db2.gz QLKZGRIKOIRRKU-UHFFFAOYSA-N -2 1 322.386 2.624 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1CC ZINC000362713941 543283660 /nfs/dbraw/zinc/28/36/60/543283660.db2.gz FWGDNULLXSWMTP-UHFFFAOYSA-N -2 1 322.386 2.639 20 0 DFADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000074842327 145193478 /nfs/dbraw/zinc/19/34/78/145193478.db2.gz HDVHAFIUOBXCKE-UHFFFAOYSA-N -2 1 316.338 2.667 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000361972710 149268484 /nfs/dbraw/zinc/26/84/84/149268484.db2.gz SSUYOMSTKBZBRE-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)ccc1F ZINC000185568890 158064220 /nfs/dbraw/zinc/06/42/20/158064220.db2.gz OCZHNLTZPBEIOC-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357012304 158346839 /nfs/dbraw/zinc/34/68/39/158346839.db2.gz FCTJOAHBVKFRNE-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000013267350 425752024 /nfs/dbraw/zinc/75/20/24/425752024.db2.gz QTDSWHAPAGHUBO-UHFFFAOYSA-N -2 1 317.366 2.674 20 0 DFADML CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2ccccc2c1[O-] ZINC000315655611 268343706 /nfs/dbraw/zinc/34/37/06/268343706.db2.gz XZSFPARGSZVKPP-NSHDSACASA-N -2 1 301.342 2.871 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000070156475 425968397 /nfs/dbraw/zinc/96/83/97/425968397.db2.gz WEVBYEIKNVJVOO-UHFFFAOYSA-N -2 1 311.384 2.810 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000078364968 426166978 /nfs/dbraw/zinc/16/69/78/426166978.db2.gz VZSMRFQKLBVXEM-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000078364987 426167645 /nfs/dbraw/zinc/16/76/45/426167645.db2.gz OSBFBXCKZIYQEH-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML CSc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000337849197 427001269 /nfs/dbraw/zinc/00/12/69/427001269.db2.gz ISTULQVKEBIMBX-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263518823 427507241 /nfs/dbraw/zinc/50/72/41/427507241.db2.gz PXOGHGFHVQNMFO-DGCLKSJQSA-N -2 1 313.353 2.871 20 0 DFADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000353585643 428607015 /nfs/dbraw/zinc/60/70/15/428607015.db2.gz BIRQODYWCOVZDM-UHFFFAOYSA-N -2 1 316.338 2.667 20 0 DFADML C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C(=O)[O-] ZINC000424255258 429114716 /nfs/dbraw/zinc/11/47/16/429114716.db2.gz LSGSOEIWMAXWEI-ZBEGNZNMSA-N -2 1 313.353 2.871 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000443456018 429251829 /nfs/dbraw/zinc/25/18/29/429251829.db2.gz PNOMGGZICQHJPC-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000484557070 429742770 /nfs/dbraw/zinc/74/27/70/429742770.db2.gz KRCHNFWANILLMS-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CCC(CC)S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000548201500 430457263 /nfs/dbraw/zinc/45/72/63/430457263.db2.gz RDSXBOSXQQPGPD-UHFFFAOYSA-N -2 1 322.386 2.863 20 0 DFADML Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000547940299 301552940 /nfs/dbraw/zinc/55/29/40/301552940.db2.gz WBZRRVGCPDXAOQ-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cccs1 ZINC000013269523 323208425 /nfs/dbraw/zinc/20/84/25/323208425.db2.gz YEYXGSZAOLVFJS-UHFFFAOYSA-N -2 1 317.775 2.901 20 0 DFADML O=C([O-])c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000821550954 598153679 /nfs/dbraw/zinc/15/36/79/598153679.db2.gz UQSWSNOYFBBHRT-UHFFFAOYSA-N -2 1 323.308 2.733 20 0 DFADML C[C@@H](CN(C(=O)c1ccc2ccccc2c1[O-])C1CC1)C(=O)[O-] ZINC000736566034 599922066 /nfs/dbraw/zinc/92/20/66/599922066.db2.gz DMCKUOPVJSHDHY-NSHDSACASA-N -2 1 313.353 2.871 20 0 DFADML O=C([O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000048806887 600480020 /nfs/dbraw/zinc/48/00/20/600480020.db2.gz GGVXUEYZWGOIAV-UHFFFAOYSA-N -2 1 307.689 2.702 20 0 DFADML O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000166564810 600637084 /nfs/dbraw/zinc/63/70/84/600637084.db2.gz KSXOKIFPJQGPRK-UHFFFAOYSA-N -2 1 311.746 2.839 20 0 DFADML COCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1 ZINC000739843872 602846965 /nfs/dbraw/zinc/84/69/65/602846965.db2.gz WGVWMVZOQGNSQO-UHFFFAOYSA-N -2 1 316.313 2.881 20 0 DFADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832993794 604314349 /nfs/dbraw/zinc/31/43/49/604314349.db2.gz DQYUHZNJGUHQPP-UHFFFAOYSA-N -2 1 321.358 2.626 20 0 DFADML CC(C)c1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c([O-])c1 ZINC000827118362 604665909 /nfs/dbraw/zinc/66/59/09/604665909.db2.gz TXKKRICMRGCJDK-UHFFFAOYSA-N -2 1 320.370 2.852 20 0 DFADML O=C([O-])c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000833102197 604708791 /nfs/dbraw/zinc/70/87/91/604708791.db2.gz NOCXLQSFONLFGQ-UHFFFAOYSA-N -2 1 303.289 2.801 20 0 DFADML O=C([O-])NC1(CNC(=O)c2ccc([O-])cc2F)CCCCCC1 ZINC000834154477 605378481 /nfs/dbraw/zinc/37/84/81/605378481.db2.gz LIBOTZSJXMGOTK-UHFFFAOYSA-N -2 1 324.352 2.622 20 0 DFADML O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc(F)cc1[O-])C2 ZINC000831308511 605408096 /nfs/dbraw/zinc/40/80/96/605408096.db2.gz UGFSBEMHPAJEPU-CLYYMRHHSA-N -2 1 322.336 2.781 20 0 DFADML O=C([O-])N(CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000831451140 605408555 /nfs/dbraw/zinc/40/85/55/605408555.db2.gz PZYRSLPDZFTGQJ-UHFFFAOYSA-N -2 1 304.277 2.654 20 0 DFADML O=C([O-])N[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000834130023 605631829 /nfs/dbraw/zinc/63/18/29/605631829.db2.gz RQLJMIBUHCGSQN-ZDUSSCGKSA-N -2 1 318.304 2.869 20 0 DFADML O=C([O-])N[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000834130021 605631911 /nfs/dbraw/zinc/63/19/11/605631911.db2.gz RQLJMIBUHCGSQN-CYBMUJFWSA-N -2 1 318.304 2.869 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1 ZINC000832833454 605830157 /nfs/dbraw/zinc/83/01/57/605830157.db2.gz NZKDKJHUJDSRHA-UHFFFAOYSA-N -2 1 316.288 2.824 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000316700654 231151287 /nfs/dbraw/zinc/15/12/87/231151287.db2.gz IQESASOPVBFDGG-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])ccc1F ZINC000591796929 398788654 /nfs/dbraw/zinc/78/86/54/398788654.db2.gz FFFOCTBLHPTPJU-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000013340881 181845647 /nfs/dbraw/zinc/84/56/47/181845647.db2.gz BMMOALWPQWONEK-UHFFFAOYSA-N -2 1 317.775 2.901 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000229619937 146010775 /nfs/dbraw/zinc/01/07/75/146010775.db2.gz SCCAFGRDODWFEY-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000184653223 158035297 /nfs/dbraw/zinc/03/52/97/158035297.db2.gz MILQDEZVHCSDFC-LBPRGKRZSA-N -2 1 319.382 2.751 20 0 DFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000013058964 425746152 /nfs/dbraw/zinc/74/61/52/425746152.db2.gz VNOCEUXQFXFENA-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)[O-] ZINC000045946192 425863333 /nfs/dbraw/zinc/86/33/33/425863333.db2.gz GSZGJSHDRCGCCX-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1C(=O)[O-] ZINC000071171140 425983022 /nfs/dbraw/zinc/98/30/22/425983022.db2.gz CUWSMVULKBDXAN-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000078364990 426167189 /nfs/dbraw/zinc/16/71/89/426167189.db2.gz BKVVXXMWWAZJKI-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000188995971 426807802 /nfs/dbraw/zinc/80/78/02/426807802.db2.gz DPUGTDDISHYPLR-UHFFFAOYSA-N -2 1 324.621 2.574 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1F ZINC000336853837 427758841 /nfs/dbraw/zinc/75/88/41/427758841.db2.gz KLKSWOQDFMRKPN-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000358849551 428703954 /nfs/dbraw/zinc/70/39/54/428703954.db2.gz BQDAXXPVFIDGGK-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000358861987 428708289 /nfs/dbraw/zinc/70/82/89/428708289.db2.gz XFCVAYXRUDMOQL-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML CCc1cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)ccc1[O-] ZINC000486080071 429747314 /nfs/dbraw/zinc/74/73/14/429747314.db2.gz NKBGMVIUYXZYFO-UHFFFAOYSA-N -2 1 305.403 2.778 20 0 DFADML CC(=O)c1cccc(NS(=O)(=O)CCc2ccccc2)c1O ZINC000581981870 430256970 /nfs/dbraw/zinc/25/69/70/430256970.db2.gz GUDIZFAJYLUEOP-UHFFFAOYSA-N -2 1 319.382 2.579 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c1 ZINC000548197034 430457372 /nfs/dbraw/zinc/45/73/72/430457372.db2.gz UCQBCXRHCXIOLG-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML C=Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000436479673 297005209 /nfs/dbraw/zinc/00/52/09/297005209.db2.gz WZLRSEASYUKWMZ-UHFFFAOYSA-N -2 1 317.366 2.758 20 0 DFADML COc1cc(C)cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1[O-] ZINC000436566892 297013346 /nfs/dbraw/zinc/01/33/46/297013346.db2.gz NDJFTQQUZXIRCY-UHFFFAOYSA-N -2 1 321.402 2.532 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000156246274 295333528 /nfs/dbraw/zinc/33/35/28/295333528.db2.gz LBZYRDLMJRSYON-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000317010696 600047041 /nfs/dbraw/zinc/04/70/41/600047041.db2.gz MVXDPXONHLSCCX-UHFFFAOYSA-N -2 1 317.728 2.900 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000832950728 601854686 /nfs/dbraw/zinc/85/46/86/601854686.db2.gz XYRYFYJUHDMVFX-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML COc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000739882298 602576382 /nfs/dbraw/zinc/57/63/82/602576382.db2.gz OPLUQUWTUWQJHB-UHFFFAOYSA-N -2 1 302.286 2.743 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2ccc(F)cc2F)c([O-])c1 ZINC000740699144 602847907 /nfs/dbraw/zinc/84/79/07/602847907.db2.gz TYZWCYLOAUNJLG-UHFFFAOYSA-N -2 1 322.267 2.690 20 0 DFADML CCCC(O)(CCC)CNC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000826763440 603927904 /nfs/dbraw/zinc/92/79/04/603927904.db2.gz CILLQHVYPVEWBT-UHFFFAOYSA-N -2 1 324.377 2.543 20 0 DFADML O=C([O-])c1ccc2c(=O)[nH]c(-c3ccc([O-])c(F)c3)nc2c1 ZINC000833325826 604620535 /nfs/dbraw/zinc/62/05/35/604620535.db2.gz YNKBGUJUHOBMMV-UHFFFAOYSA-N -2 1 300.245 2.545 20 0 DFADML C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000833410989 604719796 /nfs/dbraw/zinc/71/97/96/604719796.db2.gz KFSSKYJJYKIWQJ-BMIGLBTASA-N -2 1 317.316 2.723 20 0 DFADML C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000833411091 605266533 /nfs/dbraw/zinc/26/65/33/605266533.db2.gz LNRBVKDQYNQBKC-MEBBXXQBSA-N -2 1 317.316 2.723 20 0 DFADML C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000824684853 605407377 /nfs/dbraw/zinc/40/73/77/605407377.db2.gz DSKNOCNISBMZPH-JTQLQIEISA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])NCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000832705681 605409200 /nfs/dbraw/zinc/40/92/00/605409200.db2.gz NPIIANMCBHNAIJ-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML O=C([O-])NC[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000834211885 605537875 /nfs/dbraw/zinc/53/78/75/605537875.db2.gz YFKWBNRENPNRHY-GFCCVEGCSA-N -2 1 318.304 2.521 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000024433356 282372095 /nfs/dbraw/zinc/37/20/95/282372095.db2.gz FMLLEJSJXBMBFL-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000484584876 299418013 /nfs/dbraw/zinc/41/80/13/299418013.db2.gz OUSSCOWBJRCHFS-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357020288 158349766 /nfs/dbraw/zinc/34/97/66/158349766.db2.gz PNBKHUCVHTVWLZ-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000044418831 425856283 /nfs/dbraw/zinc/85/62/83/425856283.db2.gz WEOWIBYKPYAKKV-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CC(C)[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-] ZINC000315821368 426940125 /nfs/dbraw/zinc/94/01/25/426940125.db2.gz CAPMCCZGWSWUTJ-AWEZNQCLSA-N -2 1 301.342 2.632 20 0 DFADML C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263518826 427506910 /nfs/dbraw/zinc/50/69/10/427506910.db2.gz PXOGHGFHVQNMFO-WCQYABFASA-N -2 1 313.353 2.871 20 0 DFADML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000336852850 427759476 /nfs/dbraw/zinc/75/94/76/427759476.db2.gz ZLWLZTHWQUZOGQ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000356495062 428203584 /nfs/dbraw/zinc/20/35/84/428203584.db2.gz CWNRDPRNPYSQPZ-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000358851622 428702850 /nfs/dbraw/zinc/70/28/50/428702850.db2.gz FPECYRDAADRIFL-UHFFFAOYSA-N -2 1 323.395 2.908 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C(=O)[O-])c1 ZINC000484478292 429740777 /nfs/dbraw/zinc/74/07/77/429740777.db2.gz CCXDUJWCCQPAOO-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)CCCCC2 ZINC000634611826 430052086 /nfs/dbraw/zinc/05/20/86/430052086.db2.gz FTXWTRHSAVUCQQ-NSHDSACASA-N -2 1 302.330 2.676 20 0 DFADML C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C(=O)[O-] ZINC000647748191 431677646 /nfs/dbraw/zinc/67/76/46/431677646.db2.gz RPMWLAOKZBWNRA-ABAIWWIYSA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])cc1 ZINC000548594770 301599286 /nfs/dbraw/zinc/59/92/86/301599286.db2.gz JJYHDGDBSTYRKE-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML O=C([O-])COc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000739825533 600366477 /nfs/dbraw/zinc/36/64/77/600366477.db2.gz HOKIXZQRFWRIPN-UHFFFAOYSA-N -2 1 321.716 2.761 20 0 DFADML O=C([O-])c1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000833101676 600723433 /nfs/dbraw/zinc/72/34/33/600723433.db2.gz BETOABFABCRXOI-UHFFFAOYSA-N -2 1 303.289 2.801 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c([O-])c1 ZINC000740701058 602840475 /nfs/dbraw/zinc/84/04/75/602840475.db2.gz JPARRNFKBASETA-UHFFFAOYSA-N -2 1 312.285 2.611 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2ccccc2F)c([O-])c1 ZINC000740698620 602841760 /nfs/dbraw/zinc/84/17/60/602841760.db2.gz RJLSODVINCPQPY-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c([O-])c1 ZINC000740700199 602864349 /nfs/dbraw/zinc/86/43/49/602864349.db2.gz SRFCICAHDYNJDW-JTQLQIEISA-N -2 1 316.313 2.705 20 0 DFADML O=C([O-])Nc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000832842078 605409907 /nfs/dbraw/zinc/40/99/07/605409907.db2.gz XWHXWWOOKJYXOQ-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c([O-])c1 ZINC000834258803 605648510 /nfs/dbraw/zinc/64/85/10/605648510.db2.gz RVWKTJPJYBHQAF-ZDUSSCGKSA-N -2 1 304.346 2.887 20 0 DFADML CCN(CCC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000833857755 605908987 /nfs/dbraw/zinc/90/89/87/605908987.db2.gz PYEYZISDZTUNMF-UHFFFAOYSA-N -2 1 320.267 2.897 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1O ZINC000317574195 231162048 /nfs/dbraw/zinc/16/20/48/231162048.db2.gz DSUCIGXYGDIAGC-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000318861733 398539896 /nfs/dbraw/zinc/53/98/96/398539896.db2.gz CAOHJTIPTCQPLJ-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1F ZINC000171404489 145263801 /nfs/dbraw/zinc/26/38/01/145263801.db2.gz IHICXZVRHZMWHZ-UHFFFAOYSA-N -2 1 323.345 2.562 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc(C(=O)[O-])c1 ZINC000507571003 543421210 /nfs/dbraw/zinc/42/12/10/543421210.db2.gz UZYCTBVFIJGQSJ-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000357027924 158351530 /nfs/dbraw/zinc/35/15/30/158351530.db2.gz LVSLTWIGIGGNSZ-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-] ZINC000071171191 425982595 /nfs/dbraw/zinc/98/25/95/425982595.db2.gz HJRDYRHOUZNDER-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000336864634 427766164 /nfs/dbraw/zinc/76/61/64/427766164.db2.gz KTEJHOFGUNWPHA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)CCCCC2 ZINC000634611825 430052695 /nfs/dbraw/zinc/05/26/95/430052695.db2.gz FTXWTRHSAVUCQQ-LLVKDONJSA-N -2 1 302.330 2.676 20 0 DFADML CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2ccccc2cc1[O-] ZINC000455811678 298420894 /nfs/dbraw/zinc/42/08/94/298420894.db2.gz OGENVNMQWTYWPH-NSHDSACASA-N -2 1 301.342 2.871 20 0 DFADML CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000582395206 323663541 /nfs/dbraw/zinc/66/35/41/323663541.db2.gz SKKSHXFLGKGOBV-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000229620127 525333029 /nfs/dbraw/zinc/33/30/29/525333029.db2.gz LPULKDLWTMLUOY-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000818339269 596920686 /nfs/dbraw/zinc/92/06/86/596920686.db2.gz FUNWMRJGOXJFNX-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337335 600594668 /nfs/dbraw/zinc/59/46/68/600594668.db2.gz VXFITJLUTUYUHP-CQSZACIVSA-N -2 1 319.744 2.944 20 0 DFADML O=C([O-])[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000833135899 600781266 /nfs/dbraw/zinc/78/12/66/600781266.db2.gz VRCAQRPFYSGCGX-LLVKDONJSA-N -2 1 319.744 2.644 20 0 DFADML Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000832930264 600983146 /nfs/dbraw/zinc/98/31/46/600983146.db2.gz UAZMEKCKRNPRKI-CLFYSBASSA-N -2 1 318.354 2.501 20 0 DFADML Cc1cccc(F)c1CNC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000830505381 603932716 /nfs/dbraw/zinc/93/27/16/603932716.db2.gz HWGGFCVFPSFMSK-UHFFFAOYSA-N -2 1 318.304 2.860 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCC(C2CC2)C2CC2)c([O-])c1 ZINC000832832920 603958683 /nfs/dbraw/zinc/95/86/83/603958683.db2.gz DINCEXCNNGYYKU-UHFFFAOYSA-N -2 1 304.346 2.648 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCc3[nH]ccc32)c([O-])c1 ZINC000832834640 604069451 /nfs/dbraw/zinc/06/94/51/604069451.db2.gz XQIQQFJXQJBYOD-ZDUSSCGKSA-N -2 1 315.329 2.618 20 0 DFADML CN(C(=O)[O-])c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000833685283 605263712 /nfs/dbraw/zinc/26/37/12/605263712.db2.gz JINGXJLKPCGDMP-UHFFFAOYSA-N -2 1 304.277 2.898 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1 ZINC000834257286 605620869 /nfs/dbraw/zinc/62/08/69/605620869.db2.gz HZWNTSDFZGMMHI-UHFFFAOYSA-N -2 1 318.354 2.742 20 0 DFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccsc2)c1C ZINC000089750313 398465168 /nfs/dbraw/zinc/46/51/68/398465168.db2.gz GQYKGWSNRULJNQ-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000110988568 194377725 /nfs/dbraw/zinc/37/77/25/194377725.db2.gz SOAIJXGQWXSCMK-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 DFADML Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1C(=O)[O-] ZINC000361983243 149270563 /nfs/dbraw/zinc/27/05/63/149270563.db2.gz NCSGBEROXJPKJB-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000362004729 149274324 /nfs/dbraw/zinc/27/43/24/149274324.db2.gz ZNOJLZMDOOVACX-UHFFFAOYSA-N -2 1 305.355 2.748 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c1 ZINC000013313198 425751320 /nfs/dbraw/zinc/75/13/20/425751320.db2.gz NZQFINVAWRELIU-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CC(C)(CCNC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-] ZINC000318921894 268346141 /nfs/dbraw/zinc/34/61/41/268346141.db2.gz VGARMZLAWAPQGZ-UHFFFAOYSA-N -2 1 301.342 2.776 20 0 DFADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000320705182 268347624 /nfs/dbraw/zinc/34/76/24/268347624.db2.gz OVNRGVVFLNDYED-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000078365006 426167372 /nfs/dbraw/zinc/16/73/72/426167372.db2.gz HTBOPCAKUKBLTP-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000263315033 427462280 /nfs/dbraw/zinc/46/22/80/427462280.db2.gz IOTSPNBYQGTHDI-DGCLKSJQSA-N -2 1 313.353 2.871 20 0 DFADML C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000263141479 427421901 /nfs/dbraw/zinc/42/19/01/427421901.db2.gz DQGKQZCVWPMBQM-YPMHNXCESA-N -2 1 313.353 2.728 20 0 DFADML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000336851759 427758389 /nfs/dbraw/zinc/75/83/89/427758389.db2.gz BUFPJVMKGKVNAT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000336864344 427766045 /nfs/dbraw/zinc/76/60/45/427766045.db2.gz RBDMHNYVLIOODV-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2)cc(C(=O)[O-])c1C ZINC000342773317 428451723 /nfs/dbraw/zinc/45/17/23/428451723.db2.gz BZNPATRUDWAQDT-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485302089 429743347 /nfs/dbraw/zinc/74/33/47/429743347.db2.gz UQDMJTGUSYFPFF-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1nc(C=Cc2ccc([O-])c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000436815256 297036518 /nfs/dbraw/zinc/03/65/18/297036518.db2.gz KJNXKNNZNPHSQB-HYXAFXHYSA-N -2 1 320.732 2.647 20 0 DFADML CC(C)N(CCC(=O)[O-])C(=O)c1cc2ccccc2cc1[O-] ZINC000736466022 600564071 /nfs/dbraw/zinc/56/40/71/600564071.db2.gz WICSYTQFVCUTOV-UHFFFAOYSA-N -2 1 301.342 2.871 20 0 DFADML O=C([O-])C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000322689577 601211410 /nfs/dbraw/zinc/21/14/10/601211410.db2.gz IZFLIPNGJVGZIP-JTQLQIEISA-N -2 1 315.300 2.750 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000028913662 601316974 /nfs/dbraw/zinc/31/69/74/601316974.db2.gz VAIFJJHLFOBZTI-DHZHZOJOSA-N -2 1 317.366 2.894 20 0 DFADML CN(Cc1ccccc1NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000739714997 602460629 /nfs/dbraw/zinc/46/06/29/602460629.db2.gz DVMYSDHODRWQME-UHFFFAOYSA-N -2 1 300.314 2.754 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCc2ccc(F)cc2)c([O-])c1 ZINC000740698555 602841819 /nfs/dbraw/zinc/84/18/19/602841819.db2.gz NJRCLRRWHFTLDZ-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)c([O-])c1 ZINC000740698718 602851698 /nfs/dbraw/zinc/85/16/98/602851698.db2.gz OXWLFBNMMFUBJB-NSHDSACASA-N -2 1 312.325 2.552 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000832828685 604068205 /nfs/dbraw/zinc/06/82/05/604068205.db2.gz KLMLKGOGCCQBLZ-GHMZBOCLSA-N -2 1 304.346 2.744 20 0 DFADML O=C([O-])NC[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000834211886 605538347 /nfs/dbraw/zinc/53/83/47/605538347.db2.gz YFKWBNRENPNRHY-LBPRGKRZSA-N -2 1 318.304 2.521 20 0 DFADML O=C([O-])N[C@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000834128715 605631988 /nfs/dbraw/zinc/63/19/88/605631988.db2.gz VGWVUDGLMHULOM-GFCCVEGCSA-N -2 1 318.304 2.869 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1CC ZINC000091578913 398536094 /nfs/dbraw/zinc/53/60/94/398536094.db2.gz FXEKYYFTXSWRDV-UHFFFAOYSA-N -2 1 322.386 2.639 20 0 DFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c1 ZINC000013313244 542421747 /nfs/dbraw/zinc/42/17/47/542421747.db2.gz IIUBBVGASFKPCG-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cc1 ZINC000013313187 542421833 /nfs/dbraw/zinc/42/18/33/542421833.db2.gz ZNJNCDCWYADOHH-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000270004699 542963183 /nfs/dbraw/zinc/96/31/83/542963183.db2.gz ORVJGFYEVNGGAP-UHFFFAOYSA-N -2 1 322.386 2.569 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000184634865 158035344 /nfs/dbraw/zinc/03/53/44/158035344.db2.gz XGGIVWQWRQDMMZ-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357016435 158348190 /nfs/dbraw/zinc/34/81/90/158348190.db2.gz GGRHQLVVCULOCR-UHFFFAOYSA-N -2 1 319.382 2.731 20 0 DFADML O=S(=O)([N-]c1cccc(F)c1)c1cccc(Cl)c1[O-] ZINC000339209601 268776724 /nfs/dbraw/zinc/77/67/24/268776724.db2.gz DHGOLASSQQELMV-UHFFFAOYSA-N -2 1 301.726 2.986 20 0 DFADML COc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(OC)c1O ZINC000344423042 272329855 /nfs/dbraw/zinc/32/98/55/272329855.db2.gz JRRKSOYYHNRLDQ-UHFFFAOYSA-N -2 1 307.277 2.506 20 0 DFADML O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccsc3)c1)CCC2 ZINC000360239183 428217061 /nfs/dbraw/zinc/21/70/61/428217061.db2.gz PXWQEWNYIOSCFK-UHFFFAOYSA-N -2 1 323.395 2.736 20 0 DFADML O=C(Nc1ccc(F)cc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000436804239 297035852 /nfs/dbraw/zinc/03/58/52/297035852.db2.gz BEPIKMWXOUCNQG-UHFFFAOYSA-N -2 1 313.288 2.675 20 0 DFADML CCc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000531145171 301082287 /nfs/dbraw/zinc/08/22/87/301082287.db2.gz SMGLFXPCDBLNNP-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML CN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737337142 600594757 /nfs/dbraw/zinc/59/47/57/600594757.db2.gz VXFITJLUTUYUHP-AWEZNQCLSA-N -2 1 319.744 2.944 20 0 DFADML CCC(CC)(NC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000828838680 600976795 /nfs/dbraw/zinc/97/67/95/600976795.db2.gz ZQLOTHANKSVQEG-UHFFFAOYSA-N -2 1 301.342 2.919 20 0 DFADML COc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])c([O-])c1 ZINC000739881669 602625708 /nfs/dbraw/zinc/62/57/08/602625708.db2.gz KTYQMCBSXCSQLI-UHFFFAOYSA-N -2 1 302.286 2.743 20 0 DFADML CN(Cc1ccsc1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739718580 602840847 /nfs/dbraw/zinc/84/08/47/602840847.db2.gz DPBYUTLRRKPEHA-UHFFFAOYSA-N -2 1 306.343 2.816 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1 ZINC000740700651 602846141 /nfs/dbraw/zinc/84/61/41/602846141.db2.gz XRAKXODXBUIWOF-UHFFFAOYSA-N -2 1 312.285 2.611 20 0 DFADML CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000833478445 604956837 /nfs/dbraw/zinc/95/68/37/604956837.db2.gz FVVHEEYVLZFNRY-SNVBAGLBSA-N -2 1 300.742 2.666 20 0 DFADML CC(=O)c1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)s1 ZINC000833400768 605000194 /nfs/dbraw/zinc/00/01/94/605000194.db2.gz MYLIXDHJMKKLAO-UHFFFAOYSA-N -2 1 314.322 2.552 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000832833991 605441987 /nfs/dbraw/zinc/44/19/87/605441987.db2.gz SFCKLXIXVNFJPH-SECBINFHSA-N -2 1 314.288 2.790 20 0 DFADML CN(C)c1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000833871562 605635117 /nfs/dbraw/zinc/63/51/17/605635117.db2.gz SJVZSQXDZTXPST-UHFFFAOYSA-N -2 1 315.329 2.800 20 0 DFADML O=C([O-])c1ccc(F)c(COC(=O)c2ccc([O-])cc2F)c1 ZINC000833781257 605821219 /nfs/dbraw/zinc/82/12/19/605821219.db2.gz XFRFEZBJBPYGEN-UHFFFAOYSA-N -2 1 308.236 2.726 20 0 DFADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(O)c2)c1C ZINC000315771951 398528101 /nfs/dbraw/zinc/52/81/01/398528101.db2.gz RDIYCVNZAAHFRP-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000004660905 181133596 /nfs/dbraw/zinc/13/35/96/181133596.db2.gz MVGUYQORWHMCPN-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000476272656 299353356 /nfs/dbraw/zinc/35/33/56/299353356.db2.gz KZWZTWXZLMBULU-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000421157667 296238910 /nfs/dbraw/zinc/23/89/10/296238910.db2.gz QVESBSLSHGFQFM-LLVKDONJSA-N -2 1 321.826 2.848 20 0 DFADML CCc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357027173 158351544 /nfs/dbraw/zinc/35/15/44/158351544.db2.gz LVJQCVLRSOYMQP-UHFFFAOYSA-N -2 1 319.382 2.677 20 0 DFADML O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000011959 425530069 /nfs/dbraw/zinc/53/00/69/425530069.db2.gz LLCKMHASBLSYBE-UHFFFAOYSA-N -2 1 319.382 2.895 20 0 DFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000014965006 425776253 /nfs/dbraw/zinc/77/62/53/425776253.db2.gz ORCGTMODRHXXRZ-UHFFFAOYSA-N -2 1 305.355 2.802 20 0 in-vivo DFADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000071415301 425985819 /nfs/dbraw/zinc/98/58/19/425985819.db2.gz FKLCPQDAIBTWEA-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc(Cl)c1[O-] ZINC000177022658 426434962 /nfs/dbraw/zinc/43/49/62/426434962.db2.gz IEZQPUQBXHNUSI-UHFFFAOYSA-N -2 1 324.621 2.574 20 0 DFADML CC(C)(CCNC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000424227078 429111949 /nfs/dbraw/zinc/11/19/49/429111949.db2.gz FNNQRUUUDAIBOM-UHFFFAOYSA-N -2 1 301.342 2.776 20 0 DFADML O=C([O-])Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)cc1 ZINC000634633183 430062073 /nfs/dbraw/zinc/06/20/73/430062073.db2.gz MYELWRISRAHFNC-AWEZNQCLSA-N -2 1 300.358 2.987 20 0 DFADML O=C([O-])[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CCC1 ZINC000663152894 431307512 /nfs/dbraw/zinc/30/75/12/431307512.db2.gz MLNUDJRVGGLJPV-OAHLLOKOSA-N -2 1 313.353 2.776 20 0 DFADML Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000387104260 323322964 /nfs/dbraw/zinc/32/29/64/323322964.db2.gz KIUSKWYPIXURQE-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319004081 534081968 /nfs/dbraw/zinc/08/19/68/534081968.db2.gz NOKOBVOSIONGHL-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C(=O)[O-])c1 ZINC000318890880 534187971 /nfs/dbraw/zinc/18/79/71/534187971.db2.gz HYYXCQLMZYMZRS-UHFFFAOYSA-N -2 1 321.354 2.503 20 0 DFADML CC(C)(C)[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-] ZINC000314560279 600532864 /nfs/dbraw/zinc/53/28/64/600532864.db2.gz WOBRCTZSWVPELH-CQSZACIVSA-N -2 1 301.342 2.775 20 0 DFADML C/C(=C/COC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000825775637 601424699 /nfs/dbraw/zinc/42/46/99/601424699.db2.gz WZZUGOPNNKBPLV-XQRVVYSFSA-N -2 1 305.113 2.887 20 0 DFADML Cn1cc(NC(=O)c2cc3ccccc3cc2[O-])cc1C(=O)[O-] ZINC000833051172 601761004 /nfs/dbraw/zinc/76/10/04/601761004.db2.gz BORAEFCWMVYPFJ-UHFFFAOYSA-N -2 1 310.309 2.834 20 0 DFADML O=C([O-])Nc1ccc(C(=O)NCCc2ccc(F)cc2)c([O-])c1 ZINC000740697170 602841686 /nfs/dbraw/zinc/84/16/86/602841686.db2.gz CKKQNFBIHZXVBN-UHFFFAOYSA-N -2 1 318.304 2.594 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000832828754 604068444 /nfs/dbraw/zinc/06/84/44/604068444.db2.gz KLMLKGOGCCQBLZ-PHIMTYICSA-N -2 1 304.346 2.744 20 0 DFADML Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1O ZINC000830521132 604116995 /nfs/dbraw/zinc/11/69/95/604116995.db2.gz CNLOPLCOOIMPGS-UHFFFAOYSA-N -2 1 302.286 2.748 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832887771 604642474 /nfs/dbraw/zinc/64/24/74/604642474.db2.gz FZOXAWHHNVJYQT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(C)c1 ZINC000033811066 604889184 /nfs/dbraw/zinc/88/91/84/604889184.db2.gz VCMPAKAYOFXZDH-UHFFFAOYSA-N -2 1 320.370 2.506 20 0 DFADML C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000833411089 605264417 /nfs/dbraw/zinc/26/44/17/605264417.db2.gz LNRBVKDQYNQBKC-BMIGLBTASA-N -2 1 317.316 2.723 20 0 DFADML O=C([O-])Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1 ZINC000834255375 605535910 /nfs/dbraw/zinc/53/59/10/605535910.db2.gz IQIGQTNBNOUPTR-UHFFFAOYSA-N -2 1 314.297 2.765 20 0 DFADML Cc1[nH]c(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1C(=O)[O-] ZINC000833740135 605765030 /nfs/dbraw/zinc/76/50/30/605765030.db2.gz NRJQOUKTODUOLW-UHFFFAOYSA-N -2 1 308.721 2.941 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000091509333 193066646 /nfs/dbraw/zinc/06/66/46/193066646.db2.gz HDMWROAALIZOKH-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML O=C([O-])CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000016905218 182063836 /nfs/dbraw/zinc/06/38/36/182063836.db2.gz FLUYSUZVTUJOAZ-JXMROGBWSA-N -2 1 309.368 2.869 20 0 DFADML CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000421157668 296238692 /nfs/dbraw/zinc/23/86/92/296238692.db2.gz QVESBSLSHGFQFM-NSHDSACASA-N -2 1 321.826 2.848 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000347935560 285255564 /nfs/dbraw/zinc/25/55/64/285255564.db2.gz ZMTSDPXAFSWYKA-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(F)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156518 425968690 /nfs/dbraw/zinc/96/86/90/425968690.db2.gz NCGIOQQQQCHZCE-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cs1 ZINC000070156451 425968701 /nfs/dbraw/zinc/96/87/01/425968701.db2.gz PWDMGEJLSOBWTP-UHFFFAOYSA-N -2 1 319.310 2.525 20 0 DFADML Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)[nH]n2)o1 ZINC000177907350 426537404 /nfs/dbraw/zinc/53/74/04/426537404.db2.gz FNGRSXFHIFFXIN-UHFFFAOYSA-N -2 1 311.297 2.929 20 0 DFADML CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339070663 427661878 /nfs/dbraw/zinc/66/18/78/427661878.db2.gz DQHWULMTDYTIKO-UHFFFAOYSA-N -2 1 323.345 2.887 20 0 DFADML Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000360500898 428324643 /nfs/dbraw/zinc/32/46/43/428324643.db2.gz PBNVUDIFRPYBLW-UHFFFAOYSA-N -2 1 321.354 2.508 20 0 DFADML O=C([O-])Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)cc1 ZINC000634633184 430061154 /nfs/dbraw/zinc/06/11/54/430061154.db2.gz MYELWRISRAHFNC-CQSZACIVSA-N -2 1 300.358 2.987 20 0 DFADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1 ZINC000547877325 430430840 /nfs/dbraw/zinc/43/08/40/430430840.db2.gz MKPYPHLHHPUOJA-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319062676 533709737 /nfs/dbraw/zinc/70/97/37/533709737.db2.gz OAPWPUYYTCXUOE-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000317024052 599852672 /nfs/dbraw/zinc/85/26/72/599852672.db2.gz RUNONNNWZVXAPA-UHFFFAOYSA-N -2 1 319.382 2.813 20 0 DFADML O=C([O-])CCS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000314154494 599871024 /nfs/dbraw/zinc/87/10/24/599871024.db2.gz JDNBYOQXEDYSGL-UHFFFAOYSA-N -2 1 321.354 2.695 20 0 DFADML Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1C(=O)[O-] ZINC000832973191 600818769 /nfs/dbraw/zinc/81/87/69/600818769.db2.gz ZLNDTJOAMSOVPO-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2ccccc2cc1[O-] ZINC000828638538 601133552 /nfs/dbraw/zinc/13/35/52/601133552.db2.gz RASGWJXAXJITEN-QGZVFWFLSA-N -2 1 301.342 2.919 20 0 DFADML CCCc1cc(=O)[n-]c(SCc2ccsc2C(=O)[O-])n1 ZINC000110953106 601889156 /nfs/dbraw/zinc/88/91/56/601889156.db2.gz CZJUQMODPXAXKQ-UHFFFAOYSA-N -2 1 310.400 2.774 20 0 DFADML CCCc1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])s1 ZINC000739379634 602844363 /nfs/dbraw/zinc/84/43/63/602844363.db2.gz QDIYDOCBHCRTRF-UHFFFAOYSA-N -2 1 322.346 2.538 20 0 DFADML O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c([O-])c1 ZINC000740700201 602864605 /nfs/dbraw/zinc/86/46/05/602864605.db2.gz SRFCICAHDYNJDW-SNVBAGLBSA-N -2 1 316.313 2.705 20 0 DFADML COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1NC(=O)[O-] ZINC000829197190 603471210 /nfs/dbraw/zinc/47/12/10/603471210.db2.gz FGDCHOSEKGZAET-UHFFFAOYSA-N -2 1 320.276 2.882 20 0 DFADML O=C([O-])Nc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000832841635 603624488 /nfs/dbraw/zinc/62/44/88/603624488.db2.gz HUUYIWPOZYWHLO-UHFFFAOYSA-N -2 1 304.277 2.802 20 0 DFADML O=C([O-])C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000833772491 605285778 /nfs/dbraw/zinc/28/57/78/605285778.db2.gz AEKQICOAVASDLI-AWEZNQCLSA-N -2 1 321.279 2.616 20 0 DFADML C[C@H](CC(=O)Nc1ccc(F)cc1[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685401 605407319 /nfs/dbraw/zinc/40/73/19/605407319.db2.gz MBLUSUMYPDJHSD-GHMZBOCLSA-N -2 1 324.352 2.886 20 0 DFADML O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000834055542 605832534 /nfs/dbraw/zinc/83/25/34/605832534.db2.gz USPQBQLQOXCVKE-SNVBAGLBSA-N -2 1 324.764 2.764 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C(=O)[O-] ZINC000315085197 231137653 /nfs/dbraw/zinc/13/76/53/231137653.db2.gz LBMWFDZCJWOOHY-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000110988574 194377863 /nfs/dbraw/zinc/37/78/63/194377863.db2.gz WFGIRJFDUHIZQL-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000350512357 543206277 /nfs/dbraw/zinc/20/62/77/543206277.db2.gz IOXANXMYFUOBDS-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507616594 543421328 /nfs/dbraw/zinc/42/13/28/543421328.db2.gz LSMLFITWFUDTQT-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(Br)c(O)c(NC(=O)c2ncccc2O)c1 ZINC000351665970 286187331 /nfs/dbraw/zinc/18/73/31/286187331.db2.gz QNCKSWOHSZYNFZ-UHFFFAOYSA-N -2 1 323.146 2.816 20 0 DFADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000013464557 425755719 /nfs/dbraw/zinc/75/57/19/425755719.db2.gz ZVWVBCGRACCHGN-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000180018043 426831633 /nfs/dbraw/zinc/83/16/33/426831633.db2.gz QNDCIECXINAGSZ-UHFFFAOYSA-N -2 1 313.306 2.535 20 0 DFADML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)s1 ZINC000336830449 427754380 /nfs/dbraw/zinc/75/43/80/427754380.db2.gz GDEVLXRRSFVCRU-UHFFFAOYSA-N -2 1 315.347 2.695 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000336853371 427759196 /nfs/dbraw/zinc/75/91/96/427759196.db2.gz GJEUTHFRMBWZGA-UHFFFAOYSA-N -2 1 323.345 2.942 20 0 DFADML Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])c1 ZINC000349086485 428916810 /nfs/dbraw/zinc/91/68/10/428916810.db2.gz RXUMZAJRHJZLQJ-UHFFFAOYSA-N -2 1 311.384 2.864 20 0 DFADML C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C(=O)[O-] ZINC000424255257 429114603 /nfs/dbraw/zinc/11/46/03/429114603.db2.gz LSGSOEIWMAXWEI-MEDUHNTESA-N -2 1 313.353 2.871 20 0 DFADML C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000436476942 297005216 /nfs/dbraw/zinc/00/52/16/297005216.db2.gz KKIUHGUVEHNANP-UHFFFAOYSA-N -2 1 319.338 2.534 20 0 DFADML CC[C@H](Sc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(=O)[O-] ZINC000566294310 302275785 /nfs/dbraw/zinc/27/57/85/302275785.db2.gz XLTKLFHGGFVVLY-NSHDSACASA-N -2 1 319.386 2.816 20 0 DFADML CN(Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1)C(=O)[O-] ZINC000830835587 601211369 /nfs/dbraw/zinc/21/13/69/601211369.db2.gz HNQUYYQIQWSLST-UHFFFAOYSA-N -2 1 318.304 2.893 20 0 DFADML Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832978787 601854616 /nfs/dbraw/zinc/85/46/16/601854616.db2.gz BXQPGTRWCWJVPK-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML O=C([O-])NCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000832724587 603473889 /nfs/dbraw/zinc/47/38/89/603473889.db2.gz GPROINXXTYYDOL-UHFFFAOYSA-N -2 1 304.277 2.551 20 0 DFADML Cc1cnc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2[O-])s1 ZINC000830624870 604068909 /nfs/dbraw/zinc/06/89/09/604068909.db2.gz NDCMHFHYZPKZFS-QMMMGPOBSA-N -2 1 321.358 2.738 20 0 DFADML Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000832887802 604639539 /nfs/dbraw/zinc/63/95/39/604639539.db2.gz IWTNBDBMPAJJFY-UHFFFAOYSA-N -2 1 309.318 2.633 20 0 DFADML CC[C@@](NC(=O)c1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833643286 604707949 /nfs/dbraw/zinc/70/79/49/604707949.db2.gz QULRRIYSDQGDEJ-KRWDZBQOSA-N -2 1 317.316 2.651 20 0 DFADML C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000833825425 606080983 /nfs/dbraw/zinc/08/09/83/606080983.db2.gz BSUUNDGKWVJPOM-BMIGLBTASA-N -2 1 310.325 2.686 20 0 DFADML