smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000020761418 195217812 /nfs/dbraw/zinc/21/78/12/195217812.db2.gz RESXCVLESBEZFU-NRFANRHFSA-N -2 3 498.491 3.838 50 0 biogenic JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1 ZINC000058009431 195362161 /nfs/dbraw/zinc/36/21/61/195362161.db2.gz NRIPRENJIOZIDC-UHFFFAOYSA-N -2 3 457.596 3.949 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])CC1 ZINC000033253516 520584438 /nfs/dbraw/zinc/58/44/38/520584438.db2.gz XWUOGLONTGLJRS-UHFFFAOYSA-N -2 3 460.552 3.582 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])CC1 ZINC000021883411 520584724 /nfs/dbraw/zinc/58/47/24/520584724.db2.gz VVKCOQLWXPBTSZ-UHFFFAOYSA-N -2 3 460.552 3.528 50 0 JHAAHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000019907748 520782150 /nfs/dbraw/zinc/78/21/50/520782150.db2.gz LFVIVRYHSVBVAI-UHFFFAOYSA-N -2 3 484.534 3.507 50 0 JHAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])c1 ZINC000033259957 524194357 /nfs/dbraw/zinc/19/43/57/524194357.db2.gz PVXCVRNPUTYUDK-UHFFFAOYSA-N -2 3 466.563 3.524 50 0 JHAAHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccn3)CC2)c(C(=O)[O-])c1 ZINC000033253042 525785226 /nfs/dbraw/zinc/78/52/26/525785226.db2.gz ZRCZSQRKPOGCBY-UHFFFAOYSA-N -2 3 486.981 3.869 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033253137 526352418 /nfs/dbraw/zinc/35/24/18/526352418.db2.gz GINBTTGPSSZVIA-UHFFFAOYSA-N -2 3 491.491 3.930 50 0 JHAAHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000008383847 554567004 /nfs/dbraw/zinc/56/70/04/554567004.db2.gz UAYJECIKVKBOQY-UHFFFAOYSA-N -2 3 452.442 3.708 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000009672355 555394151 /nfs/dbraw/zinc/39/41/51/555394151.db2.gz QKHCJLHXMHXAPX-UHFFFAOYSA-N -2 3 458.561 3.786 50 0 JHAAHL COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000013582134 555520137 /nfs/dbraw/zinc/52/01/37/555520137.db2.gz HUHILJANOJULGC-GOSISDBHSA-N -2 3 495.648 3.732 50 0 JHAAHL CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000032971185 569603719 /nfs/dbraw/zinc/60/37/19/569603719.db2.gz LWPUWONFFIZUQB-UHFFFAOYSA-N -2 3 460.383 3.880 50 0 JHAAHL CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(Cl)c4C)ccc3n2)CC1 ZINC000032985281 569608445 /nfs/dbraw/zinc/60/84/45/569608445.db2.gz VXGDFLITFCHXNR-UHFFFAOYSA-N -2 3 488.997 3.838 50 0 JHAAHL Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4[O-])[nH]n3)cc2)n1 ZINC000038703788 569806138 /nfs/dbraw/zinc/80/61/38/569806138.db2.gz DLLJMDLEWMBINB-UHFFFAOYSA-N -2 3 484.925 3.587 50 0 JHAAHL Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4[O-])n[nH]3)cc2)n1 ZINC000038703788 569806139 /nfs/dbraw/zinc/80/61/39/569806139.db2.gz DLLJMDLEWMBINB-UHFFFAOYSA-N -2 3 484.925 3.587 50 0 JHAAHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])CC1 ZINC000058009169 195361946 /nfs/dbraw/zinc/36/19/46/195361946.db2.gz GZCBHRPXOJXWSH-UHFFFAOYSA-N -2 3 458.367 3.634 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])C1 ZINC000033253390 521121510 /nfs/dbraw/zinc/12/15/10/521121510.db2.gz BYQKFJWWEBLORR-LJQANCHMSA-N -2 3 486.590 3.844 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])c1C ZINC000033253790 523633805 /nfs/dbraw/zinc/63/38/05/523633805.db2.gz QOPFDDITMASBJW-UHFFFAOYSA-N -2 3 474.558 3.837 50 0 JHAAHL Cc1cccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2C)c1 ZINC000016095949 524691182 /nfs/dbraw/zinc/69/11/82/524691182.db2.gz BPDNOAYRPXNVHT-UHFFFAOYSA-N -2 3 451.957 3.953 50 0 JHAAHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033253101 524873392 /nfs/dbraw/zinc/87/33/92/524873392.db2.gz JMVATUNNAHDTQR-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253693 527621089 /nfs/dbraw/zinc/62/10/89/527621089.db2.gz BQOGXYBOWAZYGR-UHFFFAOYSA-N -2 3 474.558 3.744 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 ZINC000000916187 553846758 /nfs/dbraw/zinc/84/67/58/553846758.db2.gz KNBPYFZWFBDOKW-UHFFFAOYSA-N -2 3 474.560 3.676 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H]4CCCC[C@@H]4C)c(=O)c3c2)c1 ZINC000009680011 555406729 /nfs/dbraw/zinc/40/67/29/555406729.db2.gz VCILMZPEQSXJDM-BTYIYWSLSA-N -2 3 469.563 3.646 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H]4CCCC[C@@H]4C)c([O-])c3c2)c1 ZINC000009680011 555406732 /nfs/dbraw/zinc/40/67/32/555406732.db2.gz VCILMZPEQSXJDM-BTYIYWSLSA-N -2 3 469.563 3.646 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4cccs4)c(=O)c3c2)cc1 ZINC000009680077 555407431 /nfs/dbraw/zinc/40/74/31/555407431.db2.gz KSWAOTVFBRDYFQ-UHFFFAOYSA-N -2 3 467.572 3.883 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4cccs4)c([O-])c3c2)cc1 ZINC000009680077 555407435 /nfs/dbraw/zinc/40/74/35/555407435.db2.gz KSWAOTVFBRDYFQ-UHFFFAOYSA-N -2 3 467.572 3.883 50 0 JHAAHL CCOCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1=O ZINC000009680197 555407767 /nfs/dbraw/zinc/40/77/67/555407767.db2.gz LNGGTWJMSPMNPV-UHFFFAOYSA-N -2 3 471.579 3.609 50 0 JHAAHL CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1[O-] ZINC000009680197 555407772 /nfs/dbraw/zinc/40/77/72/555407772.db2.gz LNGGTWJMSPMNPV-UHFFFAOYSA-N -2 3 471.579 3.609 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccco4)c(=O)c3c2)c1 ZINC000009680172 555407918 /nfs/dbraw/zinc/40/79/18/555407918.db2.gz RNRXKFSQJMKCEW-UHFFFAOYSA-N -2 3 465.531 3.811 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccco4)c([O-])c3c2)c1 ZINC000009680172 555407920 /nfs/dbraw/zinc/40/79/20/555407920.db2.gz RNRXKFSQJMKCEW-UHFFFAOYSA-N -2 3 465.531 3.811 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]C(=O)N([O-])[C@@H]2N(CCc3ccccc3F)C(=S)SC2(C)C)cc1 ZINC000013739532 555607065 /nfs/dbraw/zinc/60/70/65/555607065.db2.gz LHYPTVFULJQZDL-SFHVURJKSA-N -2 3 497.639 3.905 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])C1 ZINC000032962059 569602921 /nfs/dbraw/zinc/60/29/21/569602921.db2.gz RIABPDJTTCHYDV-GOSISDBHSA-N -2 3 474.579 3.890 50 0 JHAAHL CN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)ccc3n2)CC1 ZINC000032985282 569608442 /nfs/dbraw/zinc/60/84/42/569608442.db2.gz BGGXLXISGIKGDA-UHFFFAOYSA-N -2 3 495.388 3.792 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000033006900 569615068 /nfs/dbraw/zinc/61/50/68/569615068.db2.gz IMVLSZDOQZAYSA-UHFFFAOYSA-N -2 3 485.537 3.660 50 0 JHAAHL COc1ccc(-c2n[nH]cc2[C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)cc1 ZINC000071785010 569698218 /nfs/dbraw/zinc/69/82/18/569698218.db2.gz OWIKYCJXOOODFK-QGZVFWFLSA-N -2 3 461.503 3.579 50 0 JHAAHL O=C([O-])c1c([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000036360657 569772701 /nfs/dbraw/zinc/77/27/01/569772701.db2.gz SYKKIBDTCQSFKV-XMMPIXPASA-N -2 3 470.529 3.731 50 0 JHAAHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001166608 194058048 /nfs/dbraw/zinc/05/80/48/194058048.db2.gz FVUBFMUSAQXBNA-UHFFFAOYSA-N -2 3 492.575 3.622 50 0 JHAAHL O=C1[N-]C(=O)c2cc(Oc3c(F)c(F)c(Oc4ccc5c(c4)C(=O)[N-]C5=O)c(F)c3F)ccc21 ZINC000003168078 194233377 /nfs/dbraw/zinc/23/33/77/194233377.db2.gz NHNLVAUGUKZMKD-UHFFFAOYSA-N -2 3 472.306 3.595 50 0 JHAAHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1 ZINC000003276175 194260261 /nfs/dbraw/zinc/26/02/61/194260261.db2.gz FFSWXVQAJRFZOG-UHFFFAOYSA-N -2 3 474.608 3.929 50 0 JHAAHL Cc1cc([N-]S(=O)(=O)c2cc(N)ccc2C)cc([N-]S(=O)(=O)c2cc(N)ccc2C)c1C ZINC000003832864 194362222 /nfs/dbraw/zinc/36/22/22/194362222.db2.gz SNGNANKVZMTOJX-UHFFFAOYSA-N -2 3 474.608 3.686 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(OCC)cc4)ccc3n2)CC1 ZINC000033256384 519860210 /nfs/dbraw/zinc/86/02/10/519860210.db2.gz FPNHVCBLNRITIR-UHFFFAOYSA-N -2 3 498.605 3.665 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])c1C ZINC000033253795 523633698 /nfs/dbraw/zinc/63/36/98/523633698.db2.gz UZJZRCMLWAECCI-UHFFFAOYSA-N -2 3 492.548 3.976 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1 ZINC000008595128 523996375 /nfs/dbraw/zinc/99/63/75/523996375.db2.gz JMENDHZEWURESP-UHFFFAOYSA-N -2 3 475.570 3.864 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccccc4)c([O-])c3c2)cc1 ZINC000008595128 523996379 /nfs/dbraw/zinc/99/63/79/523996379.db2.gz JMENDHZEWURESP-UHFFFAOYSA-N -2 3 475.570 3.864 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033006894 525082876 /nfs/dbraw/zinc/08/28/76/525082876.db2.gz SWZGHBQVAZBMKU-UHFFFAOYSA-N -2 3 467.547 3.521 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(F)c(F)c4)ccc3n2)CC1 ZINC000096493319 534929312 /nfs/dbraw/zinc/92/93/12/534929312.db2.gz ZITHHGFYXAHMNX-UHFFFAOYSA-N -2 3 490.532 3.544 50 0 JHAAHL CSc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCC4)c(=O)c3c2)c1 ZINC000009680192 555407836 /nfs/dbraw/zinc/40/78/36/555407836.db2.gz JVSZEKFYQYWKLN-UHFFFAOYSA-N -2 3 457.577 3.677 50 0 JHAAHL CSc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCC4)c([O-])c3c2)c1 ZINC000009680192 555407838 /nfs/dbraw/zinc/40/78/38/555407838.db2.gz JVSZEKFYQYWKLN-UHFFFAOYSA-N -2 3 457.577 3.677 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009739346 555470870 /nfs/dbraw/zinc/47/08/70/555470870.db2.gz ZFQIYXCBIGXUDU-UHFFFAOYSA-N -2 3 454.476 3.575 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000012548571 556026842 /nfs/dbraw/zinc/02/68/42/556026842.db2.gz DLUTZUAELYIVHD-INIZCTEOSA-N -2 3 456.520 3.916 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2nc3ccccc3[nH]2)c1 ZINC000008725250 569600103 /nfs/dbraw/zinc/60/01/03/569600103.db2.gz HQSSWFFKTGKEJE-UHFFFAOYSA-N -2 3 498.586 3.950 50 0 JHAAHL O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000033006924 569615022 /nfs/dbraw/zinc/61/50/22/569615022.db2.gz FSYYXDUNSWOAPB-UHFFFAOYSA-N -2 3 472.954 3.561 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033006945 569615074 /nfs/dbraw/zinc/61/50/74/569615074.db2.gz PWVJFYLMIZEILT-UHFFFAOYSA-N -2 3 451.548 3.821 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000033007183 569615467 /nfs/dbraw/zinc/61/54/67/569615467.db2.gz XBLWZPZALDTYNC-CQSZACIVSA-N -2 3 466.943 3.619 50 0 JHAAHL COc1ccc(-c2n[nH]cc2[C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)cc1 ZINC000071785009 569698270 /nfs/dbraw/zinc/69/82/70/569698270.db2.gz OWIKYCJXOOODFK-KRWDZBQOSA-N -2 3 461.503 3.579 50 0 JHAAHL O=C([O-])c1ccc2c([C@H](C(=O)[O-])N3CCN(Cc4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036353235 569771428 /nfs/dbraw/zinc/77/14/28/569771428.db2.gz RFLWBVUGGUFOSG-AREMUKBSSA-N -2 3 484.556 3.726 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(Cc3ccncc3)CC1)cn2Cc1ccccc1 ZINC000036353677 569771522 /nfs/dbraw/zinc/77/15/22/569771522.db2.gz KFEPFILQNGACMK-SANMLTNESA-N -2 3 484.556 3.726 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000001147304 194048674 /nfs/dbraw/zinc/04/86/74/194048674.db2.gz FTDNCNIRKDLNLA-UHFFFAOYSA-N -2 3 479.967 3.900 50 0 JHAAHL O=C([O-])c1ccc(COc2ccc(C=C3SC(=O)[N-]C3=O)cc2I)cc1 ZINC000002959287 194181058 /nfs/dbraw/zinc/18/10/58/194181058.db2.gz GTHGZUHKLOOZHS-OVCLIPMQSA-N -2 3 481.267 3.892 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000012631025 195063218 /nfs/dbraw/zinc/06/32/18/195063218.db2.gz PHLILBAOCHHLNI-OAQYLSRUSA-N -2 3 474.922 3.797 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3n2)CC1 ZINC000033256345 519860087 /nfs/dbraw/zinc/86/00/87/519860087.db2.gz HPONWZZFIICRRX-UHFFFAOYSA-N -2 3 468.579 3.574 50 0 JHAAHL CCOC([O-])=NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000002659065 520973278 /nfs/dbraw/zinc/97/32/78/520973278.db2.gz ZPHKZLZNAHANFY-UHFFFAOYSA-N -2 3 476.551 3.523 50 0 JHAAHL CCOC(=O)[N-]C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000002659065 520973285 /nfs/dbraw/zinc/97/32/85/520973285.db2.gz ZPHKZLZNAHANFY-UHFFFAOYSA-N -2 3 476.551 3.523 50 0 JHAAHL O=S(=O)([N-]c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1O)c1ccc(F)cc1 ZINC000016130967 527246782 /nfs/dbraw/zinc/24/67/82/527246782.db2.gz WMDPHXBUZRTRIB-UHFFFAOYSA-N -2 3 456.904 3.786 50 0 JHAAHL COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(-c4ccc(Cl)cc4)c1[O-])N(C)CC3)OCO2 ZINC000002152566 554070752 /nfs/dbraw/zinc/07/07/52/554070752.db2.gz YCCMLVYKIKKETK-KRWDZBQOSA-N -2 3 473.938 3.569 50 0 biogenic JHAAHL CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009159777 554949460 /nfs/dbraw/zinc/94/94/60/554949460.db2.gz WUWXFDXVBMULET-WMZOPIPTSA-N -2 3 490.741 3.708 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)cc1 ZINC000009490915 555267074 /nfs/dbraw/zinc/26/70/74/555267074.db2.gz YQSVXCHGQLRZHA-UHFFFAOYSA-N -2 3 495.966 3.606 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000009492632 555272917 /nfs/dbraw/zinc/27/29/17/555272917.db2.gz RNCARCNRLJCCLL-UHFFFAOYSA-N -2 3 478.523 3.507 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000032667991 556467297 /nfs/dbraw/zinc/46/72/97/556467297.db2.gz ITLWJFFSHOLFDD-UHFFFAOYSA-N -2 3 495.509 3.973 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(Cc3cccnc3)CC1)cn2Cc1ccccc1 ZINC000036358814 569772214 /nfs/dbraw/zinc/77/22/14/569772214.db2.gz IWAAEQKRRTWYLM-SANMLTNESA-N -2 3 484.556 3.726 50 0 JHAAHL CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1C(=O)[O-] ZINC000102768118 569823305 /nfs/dbraw/zinc/82/33/05/569823305.db2.gz NMPBEPIWKKUHAG-XPWALMASSA-N -2 3 458.470 3.835 50 0 JHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1 ZINC000001141845 194045178 /nfs/dbraw/zinc/04/51/78/194045178.db2.gz BBHZHXWDVGMECT-UHFFFAOYSA-N -2 3 492.575 3.704 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000001153473 194051947 /nfs/dbraw/zinc/05/19/47/194051947.db2.gz UJBRGOCRIAOYCM-UHFFFAOYSA-N -2 3 473.576 3.863 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000003298478 194271490 /nfs/dbraw/zinc/27/14/90/194271490.db2.gz HLRJGCRIRJZVJF-UHFFFAOYSA-N -2 3 454.476 3.575 50 0 JHAAHL CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1cc(Br)c([O-])c(OC)c1)N(C)C2=O ZINC000004100652 194377610 /nfs/dbraw/zinc/37/76/10/194377610.db2.gz ODIQHYXIRGUGSQ-MOPGFXCFSA-N -2 3 494.338 3.956 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000021446852 195301445 /nfs/dbraw/zinc/30/14/45/195301445.db2.gz MRSKUPDGSROYLZ-UHFFFAOYSA-N -2 3 482.493 3.983 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(C)cc(C)c4)ccc3n2)CC1 ZINC000033256396 519859936 /nfs/dbraw/zinc/85/99/36/519859936.db2.gz ZYARQGODFQUENM-UHFFFAOYSA-N -2 3 482.606 3.883 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1OC ZINC000033253090 525082462 /nfs/dbraw/zinc/08/24/62/525082462.db2.gz UYYQIEHPNMEESZ-UHFFFAOYSA-N -2 3 497.573 3.529 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1 ZINC000033253683 525084109 /nfs/dbraw/zinc/08/41/09/525084109.db2.gz AYHFPOQFELAJKR-UHFFFAOYSA-N -2 3 486.594 3.614 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033253081 526352102 /nfs/dbraw/zinc/35/21/02/526352102.db2.gz WLGJGIWSPGAMJJ-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000655974 553736185 /nfs/dbraw/zinc/73/61/85/553736185.db2.gz NQHHOPSWICUGOI-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Nc3ncccn3)c2)c1 ZINC000024841524 556160255 /nfs/dbraw/zinc/16/02/55/556160255.db2.gz RENZMMQNBVCIMP-UHFFFAOYSA-N -2 3 491.529 3.988 50 0 JHAAHL Cc1nn(C)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000025599292 556227109 /nfs/dbraw/zinc/22/71/09/556227109.db2.gz CJCKAMJQISZBBK-UHFFFAOYSA-N -2 3 462.959 3.768 50 0 JHAAHL CCOC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000032961616 556578091 /nfs/dbraw/zinc/57/80/91/556578091.db2.gz YEFIGINARGLAFX-UHFFFAOYSA-N -2 3 489.594 3.663 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2C(=O)[O-])c1C ZINC000032971079 569603641 /nfs/dbraw/zinc/60/36/41/569603641.db2.gz LDCSPAOMYLYRRM-UHFFFAOYSA-N -2 3 498.605 3.900 50 0 JHAAHL O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc([O-])cc4)coc3c21 ZINC000096115033 569734149 /nfs/dbraw/zinc/73/41/49/569734149.db2.gz BTXZVAVQZUKQOW-INIZCTEOSA-N -3 3 474.421 3.776 50 0 biogenic JHAAHL Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)c(C)c1 ZINC000036360715 569772653 /nfs/dbraw/zinc/77/26/53/569772653.db2.gz QIUUYILZPXIRSA-HSZRJFAPSA-N -2 3 455.942 3.944 50 0 JHAAHL O=C([O-])c1ccc2c([C@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036365844 569772920 /nfs/dbraw/zinc/77/29/20/569772920.db2.gz AELZZUOWYXIPDA-AREMUKBSSA-N -2 3 484.556 3.726 50 0 JHAAHL COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(c3cccc(Cl)c3)CC1)cn2CCC(=O)[O-] ZINC000036367088 569773014 /nfs/dbraw/zinc/77/30/14/569773014.db2.gz IYAZUKIUYGTIBY-QHCPKHFHSA-N -2 3 471.941 3.726 50 0 JHAAHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000001147501 194048854 /nfs/dbraw/zinc/04/88/54/194048854.db2.gz UZQSNIXSPQHHCX-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc1 ZINC000003370451 194305272 /nfs/dbraw/zinc/30/52/72/194305272.db2.gz GKPBVENUGUHEHI-UHFFFAOYSA-N -2 3 468.503 3.965 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])C1 ZINC000033253398 521120480 /nfs/dbraw/zinc/12/04/80/521120480.db2.gz DNSJYXKXACXCMD-CQSZACIVSA-N -2 3 496.969 3.627 50 0 JHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021678073 526528060 /nfs/dbraw/zinc/52/80/60/526528060.db2.gz HAYUUAPGCQYDNC-UHFFFAOYSA-N -2 3 474.926 3.762 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)c1 ZINC000008813197 554695327 /nfs/dbraw/zinc/69/53/27/554695327.db2.gz AWVXGSLPZRLVKN-UHFFFAOYSA-N -2 3 497.960 3.921 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4Cl)c([O-])c3c2)c1 ZINC000008813197 554695329 /nfs/dbraw/zinc/69/53/29/554695329.db2.gz AWVXGSLPZRLVKN-UHFFFAOYSA-N -2 3 497.960 3.921 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 ZINC000008813763 554696266 /nfs/dbraw/zinc/69/62/66/554696266.db2.gz JILPNDBYPQFBFM-UHFFFAOYSA-N -2 3 461.543 3.910 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N(C)Cc3ccccc3)c([O-])c2c1 ZINC000008813763 554696269 /nfs/dbraw/zinc/69/62/69/554696269.db2.gz JILPNDBYPQFBFM-UHFFFAOYSA-N -2 3 461.543 3.910 50 0 JHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c([O-])c(Br)c1 ZINC000008813844 554696316 /nfs/dbraw/zinc/69/63/16/554696316.db2.gz KILORMQNIFLYBG-UHFFFAOYSA-N -3 3 458.110 3.572 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc2OC)cc1 ZINC000009130174 554929306 /nfs/dbraw/zinc/92/93/06/554929306.db2.gz GEKYZBCLXMNKSC-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL Cc1c(CC(=O)NC[C@H](CC(=O)NC(C)C)c2ccc(Cl)cc2)c(=O)oc2cc([O-])cc([O-])c12 ZINC000009306524 555079568 /nfs/dbraw/zinc/07/95/68/555079568.db2.gz FDLMPRFDRVVUNO-INIZCTEOSA-N -2 3 486.952 3.523 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)Nc3ccc(CC)cc3)c([O-])c2)cc1 ZINC000009503286 555288196 /nfs/dbraw/zinc/28/81/96/555288196.db2.gz MVNPXTTWQIUCON-UHFFFAOYSA-N -2 3 467.547 3.895 50 0 JHAAHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccccc1OC ZINC000009804849 555516601 /nfs/dbraw/zinc/51/66/01/555516601.db2.gz KTLHPMKAIICAPB-UHFFFAOYSA-N -2 3 478.505 3.968 50 0 JHAAHL O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000031817691 556407745 /nfs/dbraw/zinc/40/77/45/556407745.db2.gz GLONQFTWNGOHQU-QHCPKHFHSA-N -2 3 484.940 3.573 50 0 JHAAHL CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])CC2)cc1 ZINC000032961575 556578037 /nfs/dbraw/zinc/57/80/37/556578037.db2.gz UNDJFOGSANKKCV-UHFFFAOYSA-N -2 3 479.558 3.715 50 0 JHAAHL O=C(C[C@@H](c1ccc(O)cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096113986 569733155 /nfs/dbraw/zinc/73/31/55/569733155.db2.gz JMYBDGBGOHMNFD-FQEVSTJZSA-N -2 3 487.508 3.958 50 0 biogenic JHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(Cc3ccncc3)CC1)cn2Cc1ccccc1 ZINC000036353678 569771378 /nfs/dbraw/zinc/77/13/78/569771378.db2.gz KFEPFILQNGACMK-AREMUKBSSA-N -2 3 484.556 3.726 50 0 JHAAHL O=C([O-])c1ccc2c([C@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036352781 569771520 /nfs/dbraw/zinc/77/15/20/569771520.db2.gz YISSDEHMXCIEHP-RUZDIDTESA-N -2 3 470.529 3.731 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(CCc3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036360524 569772682 /nfs/dbraw/zinc/77/26/82/569772682.db2.gz PPTCELWZMJIQID-HHHXNRCGSA-N -2 3 498.583 3.769 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4cccs4)c(=O)c3c2)cc1 ZINC000004647479 194393188 /nfs/dbraw/zinc/39/31/88/194393188.db2.gz DYAAIJMKRGLHFD-UHFFFAOYSA-N -2 3 483.571 3.719 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4cccs4)c([O-])c3c2)cc1 ZINC000004647479 194393191 /nfs/dbraw/zinc/39/31/91/194393191.db2.gz DYAAIJMKRGLHFD-UHFFFAOYSA-N -2 3 483.571 3.719 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc3c(c2)OCO3)c1 ZINC000012630268 195062340 /nfs/dbraw/zinc/06/23/40/195062340.db2.gz VOUXKTAOTFQLIJ-UHFFFAOYSA-N -2 3 470.503 3.502 50 0 JHAAHL O=C([O-])c1ccc(N2CCN(C3CCCCC3)CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000058009418 195362057 /nfs/dbraw/zinc/36/20/57/195362057.db2.gz KQEWTDTUCAORHB-UHFFFAOYSA-N -2 3 461.559 3.779 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(CC)cc4)ccc3n2)CC1 ZINC000033256372 519859917 /nfs/dbraw/zinc/85/99/17/519859917.db2.gz MKZVRGUXVJCWJG-UHFFFAOYSA-N -2 3 482.606 3.828 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])C1 ZINC000033253423 521303085 /nfs/dbraw/zinc/30/30/85/521303085.db2.gz BXPBTBLQBIYYIU-HNNXBMFYSA-N -2 3 480.970 3.927 50 0 JHAAHL CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2)CC1 ZINC000033256325 521696502 /nfs/dbraw/zinc/69/65/02/521696502.db2.gz WAEFSXMPAGATQA-UHFFFAOYSA-N -2 3 482.606 3.801 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1 ZINC000033253062 524807048 /nfs/dbraw/zinc/80/70/48/524807048.db2.gz IEPFBKSIQAAKRK-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL O=C([O-])c1c([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000036360656 526341765 /nfs/dbraw/zinc/34/17/65/526341765.db2.gz SYKKIBDTCQSFKV-DEOSSOPVSA-N -2 3 470.529 3.731 50 0 JHAAHL COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSc1nc([O-])c(C3CCCCC3)c(=O)[n-]1)CC2 ZINC000009033506 554867609 /nfs/dbraw/zinc/86/76/09/554867609.db2.gz JAIUOFMATCAEKT-AWEZNQCLSA-N -2 3 473.595 3.778 50 0 biogenic JHAAHL COc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2C)cc1 ZINC000009403590 555161725 /nfs/dbraw/zinc/16/17/25/555161725.db2.gz KKFFEGSUURWALD-UHFFFAOYSA-N -2 3 489.575 3.564 50 0 JHAAHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000020084616 555631563 /nfs/dbraw/zinc/63/15/63/555631563.db2.gz QCDJENTUMCYGBV-UHFFFAOYSA-N -2 3 498.561 3.816 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nc(C)no3)cc2)c1 ZINC000012584770 556082328 /nfs/dbraw/zinc/08/23/28/556082328.db2.gz NNRHXTLLTJMIAM-UHFFFAOYSA-N -2 3 480.502 3.812 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000032961708 556578725 /nfs/dbraw/zinc/57/87/25/556578725.db2.gz ABIQDDVIUAVVNI-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])cc1 ZINC000033007440 569615352 /nfs/dbraw/zinc/61/53/52/569615352.db2.gz NAFPITQCSRLQQL-UHFFFAOYSA-N -2 3 495.605 3.645 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000033007185 569615451 /nfs/dbraw/zinc/61/54/51/569615451.db2.gz XBLWZPZALDTYNC-AWEZNQCLSA-N -2 3 466.943 3.619 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(CCc3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036360523 569772674 /nfs/dbraw/zinc/77/26/74/569772674.db2.gz PPTCELWZMJIQID-MHZLTWQESA-N -2 3 498.583 3.769 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[n-]c1=S ZINC000101495391 569800322 /nfs/dbraw/zinc/80/03/22/569800322.db2.gz OAJOBROBLQCYLE-HNNXBMFYSA-N -2 3 460.556 3.516 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])CC1 ZINC000033253527 520585557 /nfs/dbraw/zinc/58/55/57/520585557.db2.gz FDYSHNCCPGVTMT-UHFFFAOYSA-N -2 3 460.552 3.582 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])C1 ZINC000033253424 521120730 /nfs/dbraw/zinc/12/07/30/521120730.db2.gz AFYFFIMQUZSYAI-QGZVFWFLSA-N -2 3 460.552 3.582 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCC(C)C)c(=O)c3c2)cc1 ZINC000006181507 521132891 /nfs/dbraw/zinc/13/28/91/521132891.db2.gz IGSMMPAUYJLMFV-UHFFFAOYSA-N -2 3 457.552 3.504 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCC(C)C)c([O-])c3c2)cc1 ZINC000006181507 521132897 /nfs/dbraw/zinc/13/28/97/521132897.db2.gz IGSMMPAUYJLMFV-UHFFFAOYSA-N -2 3 457.552 3.504 50 0 JHAAHL CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)ccc3n2)CC1 ZINC000033256389 521696772 /nfs/dbraw/zinc/69/67/72/521696772.db2.gz IACHFVDRWYZAAC-UHFFFAOYSA-N -2 3 482.606 3.801 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033253132 525333047 /nfs/dbraw/zinc/33/30/47/525333047.db2.gz NRQCELABHOEIOQ-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033253097 526353659 /nfs/dbraw/zinc/35/36/59/526353659.db2.gz CIGYXONHOYDWLJ-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000033253694 527620806 /nfs/dbraw/zinc/62/08/06/527620806.db2.gz UARONOJBMNIUDY-UHFFFAOYSA-N -2 3 470.595 3.913 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]C(=O)N([O-])[C@@H]2N(Cc3ccc(F)cc3)C(=S)SC2(C)C)cc1 ZINC000008934571 554829147 /nfs/dbraw/zinc/82/91/47/554829147.db2.gz CYHYXSAHINLZRA-KRWDZBQOSA-N -2 3 483.612 3.862 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 ZINC000009680024 555407477 /nfs/dbraw/zinc/40/74/77/555407477.db2.gz RPDFYILWPXBVRN-UHFFFAOYSA-N -2 3 477.542 3.610 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c([O-])c3c2)c1 ZINC000009680024 555407479 /nfs/dbraw/zinc/40/74/79/555407479.db2.gz RPDFYILWPXBVRN-UHFFFAOYSA-N -2 3 477.542 3.610 50 0 JHAAHL COc1ccccc1CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000013582131 555520154 /nfs/dbraw/zinc/52/01/54/555520154.db2.gz HUHILJANOJULGC-SFHVURJKSA-N -2 3 495.648 3.732 50 0 JHAAHL O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)ccc2N1 ZINC000023323965 556041131 /nfs/dbraw/zinc/04/11/31/556041131.db2.gz NGNFWZKJRMOSNK-UHFFFAOYSA-N -2 3 491.978 3.826 50 0 JHAAHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013128376 556347322 /nfs/dbraw/zinc/34/73/22/556347322.db2.gz YBKNGJSJJVYECY-UHFFFAOYSA-N -2 3 489.550 3.554 50 0 JHAAHL C[C@H](CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])NC(=O)c1ccccc1 ZINC000029699466 556355581 /nfs/dbraw/zinc/35/55/81/556355581.db2.gz BMZBVJKFWMJPSA-OAHLLOKOSA-N -2 3 487.965 3.994 50 0 JHAAHL CC[C@H]1CCCCN1C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1=O ZINC000008583484 562940234 /nfs/dbraw/zinc/94/02/34/562940234.db2.gz VXBCHAFKZUTFHE-KRWDZBQOSA-N -2 3 469.563 3.742 50 0 JHAAHL CC[C@H]1CCCCN1C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1[O-] ZINC000008583484 562940236 /nfs/dbraw/zinc/94/02/36/562940236.db2.gz VXBCHAFKZUTFHE-KRWDZBQOSA-N -2 3 469.563 3.742 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)c(C(=O)[O-])c2)CC1 ZINC000033007233 569615412 /nfs/dbraw/zinc/61/54/12/569615412.db2.gz NQDYSITWGRJWMH-UHFFFAOYSA-N -2 3 460.552 3.582 50 0 JHAAHL COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])cc1 ZINC000035212866 569678207 /nfs/dbraw/zinc/67/82/07/569678207.db2.gz YVMBZDKHFRAZHW-UHFFFAOYSA-N -2 3 462.911 3.873 50 0 JHAAHL CC(C)c1ccc(-n2c([O-])c([C@@H]3c4cc5c(cc4CCN3C)OCO5)c(=O)[n-]c2=S)cc1 ZINC000001321754 194085108 /nfs/dbraw/zinc/08/51/08/194085108.db2.gz YFLDXUVFBYNOCL-NRFANRHFSA-N -2 3 451.548 3.656 50 0 biogenic JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000033253079 524564227 /nfs/dbraw/zinc/56/42/27/524564227.db2.gz TUYRYKYGSHXEMR-UHFFFAOYSA-N -2 3 481.574 3.829 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)cc1 ZINC000012508010 525081024 /nfs/dbraw/zinc/08/10/24/525081024.db2.gz XKNARWNAAVPEEA-UHFFFAOYSA-N -2 3 468.940 3.656 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033253122 526352700 /nfs/dbraw/zinc/35/27/00/526352700.db2.gz ACRZHXWZGDJRAF-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033253047 526353945 /nfs/dbraw/zinc/35/39/45/526353945.db2.gz XOTMJTPDCNCNKM-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC000009490938 555267277 /nfs/dbraw/zinc/26/72/77/555267277.db2.gz AMFPMHLUYNJFQX-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2)c1 ZINC000010060245 555612436 /nfs/dbraw/zinc/61/24/36/555612436.db2.gz CNQKEUOGYWAUNG-UHFFFAOYSA-N -2 3 473.576 3.728 50 0 JHAAHL CCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O ZINC000020211819 555704432 /nfs/dbraw/zinc/70/44/32/555704432.db2.gz WFLUETAHKRXQRC-UHFFFAOYSA-N -2 3 467.469 3.878 50 0 JHAAHL CCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-] ZINC000020211819 555704435 /nfs/dbraw/zinc/70/44/35/555704435.db2.gz WFLUETAHKRXQRC-UHFFFAOYSA-N -2 3 467.469 3.878 50 0 JHAAHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCC ZINC000019691986 556360685 /nfs/dbraw/zinc/36/06/85/556360685.db2.gz SILSKVHPRPKMLX-UHFFFAOYSA-N -2 3 498.321 3.743 50 0 JHAAHL CCOCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O ZINC000006181391 569588617 /nfs/dbraw/zinc/58/86/17/569588617.db2.gz GORAMMLVYOKHFG-UHFFFAOYSA-N -2 3 497.495 3.504 50 0 JHAAHL CCOCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-] ZINC000006181391 569588619 /nfs/dbraw/zinc/58/86/19/569588619.db2.gz GORAMMLVYOKHFG-UHFFFAOYSA-N -2 3 497.495 3.504 50 0 JHAAHL COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000008726155 569600798 /nfs/dbraw/zinc/60/07/98/569600798.db2.gz VWCCNPFFHIGTFZ-XGICHPGQSA-N -2 3 451.660 3.835 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])c(C)c1 ZINC000033007114 569615169 /nfs/dbraw/zinc/61/51/69/569615169.db2.gz DQKGBYJPBPALJV-UHFFFAOYSA-N -2 3 480.590 3.832 50 0 JHAAHL CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000095346143 569722314 /nfs/dbraw/zinc/72/23/14/569722314.db2.gz IMMVMIKOQHAMIG-SJLPKXTDSA-N -2 3 460.715 3.734 50 0 JHAAHL Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1 ZINC000036359733 569772355 /nfs/dbraw/zinc/77/23/55/569772355.db2.gz IBCLAXZVAKBCQV-XMMPIXPASA-N -2 3 453.514 3.820 50 0 JHAAHL COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C/C=C/c3ccccc3)CC1)cn2CCC(=O)[O-] ZINC000036369823 569773212 /nfs/dbraw/zinc/77/32/12/569773212.db2.gz IKFYRUCZQPCYNP-ZWDKTXKMSA-N -2 3 477.561 3.581 50 0 biogenic JHAAHL CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(-c2ccc(Br)cc2)c1[O-] ZINC000100915495 569775673 /nfs/dbraw/zinc/77/56/73/569775673.db2.gz HYXJQCPALSORCJ-SFHVURJKSA-N -2 3 472.364 3.857 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000001147645 194048879 /nfs/dbraw/zinc/04/88/79/194048879.db2.gz DOGIEGGKNZMXRE-UHFFFAOYSA-N -2 3 473.576 3.863 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OC ZINC000001144216 194046355 /nfs/dbraw/zinc/04/63/55/194046355.db2.gz BLJVPBFWPNHUMY-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL CSCc1nc(=O)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)sc2[n-]1 ZINC000012779639 195123510 /nfs/dbraw/zinc/12/35/10/195123510.db2.gz XDGRQMZFKRWKJN-UHFFFAOYSA-N -2 3 457.577 3.597 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCCC4)c(=O)c3c2)cc1 ZINC000008595150 521134476 /nfs/dbraw/zinc/13/44/76/521134476.db2.gz LWEXJFDLHDDXLL-UHFFFAOYSA-N -2 3 469.563 3.744 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCCC4)c([O-])c3c2)cc1 ZINC000008595150 521134477 /nfs/dbraw/zinc/13/44/77/521134477.db2.gz LWEXJFDLHDDXLL-UHFFFAOYSA-N -2 3 469.563 3.744 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])c1C ZINC000033253778 523632043 /nfs/dbraw/zinc/63/20/43/523632043.db2.gz KZDYMOXLJCIUIM-UHFFFAOYSA-N -2 3 474.558 3.837 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c2c1 ZINC000006181458 525271693 /nfs/dbraw/zinc/27/16/93/525271693.db2.gz SQOOJWDENVCYIH-FOIQADDNSA-N -2 3 453.564 3.946 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c([O-])c2c1 ZINC000006181458 525271708 /nfs/dbraw/zinc/27/17/08/525271708.db2.gz SQOOJWDENVCYIH-FOIQADDNSA-N -2 3 453.564 3.946 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033253060 526352937 /nfs/dbraw/zinc/35/29/37/526352937.db2.gz XWLYIWIXNQLZDL-UHFFFAOYSA-N -2 3 491.491 3.930 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000000979748 553890393 /nfs/dbraw/zinc/89/03/93/553890393.db2.gz AFIVGDMIJZZRIT-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL CCOC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)(C(F)(F)F)C(F)(F)F ZINC000002937671 554412284 /nfs/dbraw/zinc/41/22/84/554412284.db2.gz GESWPJZIMCWOKM-UHFFFAOYSA-N -2 3 492.423 3.923 50 0 JHAAHL CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009159779 554949481 /nfs/dbraw/zinc/94/94/81/554949481.db2.gz WUWXFDXVBMULET-AEFFLSMTSA-N -2 3 490.741 3.708 50 0 JHAAHL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000020247704 555742125 /nfs/dbraw/zinc/74/21/25/555742125.db2.gz KPXKCMGASMXHIZ-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000022196730 555884170 /nfs/dbraw/zinc/88/41/70/555884170.db2.gz YCHXRDMMRZGGBY-UHFFFAOYSA-N -2 3 499.570 3.888 50 0 JHAAHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1Br ZINC000012583719 556081154 /nfs/dbraw/zinc/08/11/54/556081154.db2.gz JFPDXXFAYHSXDW-UHFFFAOYSA-N -2 3 465.119 3.719 50 0 JHAAHL CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])CC2)cc1 ZINC000032961580 556577987 /nfs/dbraw/zinc/57/79/87/556577987.db2.gz PWLANPAJEICERC-UHFFFAOYSA-N -2 3 497.548 3.854 50 0 JHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000032961659 556578708 /nfs/dbraw/zinc/57/87/08/556578708.db2.gz RHTXOQQLMYWFNE-UHFFFAOYSA-N -2 3 497.548 3.854 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)C4CCCCC4)c(=O)c3c2)c1 ZINC000008583487 562940277 /nfs/dbraw/zinc/94/02/77/562940277.db2.gz RDTLWUFIPZWJPW-UHFFFAOYSA-N -2 3 469.563 3.742 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)C4CCCCC4)c([O-])c3c2)c1 ZINC000008583487 562940279 /nfs/dbraw/zinc/94/02/79/562940279.db2.gz RDTLWUFIPZWJPW-UHFFFAOYSA-N -2 3 469.563 3.742 50 0 JHAAHL CC(C)OCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1=O ZINC000006181386 569588440 /nfs/dbraw/zinc/58/84/40/569588440.db2.gz GDNKTJHVHPIQIN-UHFFFAOYSA-N -2 3 485.606 3.997 50 0 JHAAHL CC(C)OCCCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1[O-] ZINC000006181386 569588443 /nfs/dbraw/zinc/58/84/43/569588443.db2.gz GDNKTJHVHPIQIN-UHFFFAOYSA-N -2 3 485.606 3.997 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000033007039 569615161 /nfs/dbraw/zinc/61/51/61/569615161.db2.gz QOHOTLXZSAKMEW-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL O=C(C[C@H](c1cccnc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114366 569733385 /nfs/dbraw/zinc/73/33/85/569733385.db2.gz FXHJUNNPAAJHAW-LJQANCHMSA-N -2 3 472.497 3.647 50 0 biogenic JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000040158593 569822235 /nfs/dbraw/zinc/82/22/35/569822235.db2.gz KAIDZZOVLMITDB-QFIPXVFZSA-N -2 3 481.574 3.805 50 0 JHAAHL CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1C(=O)[O-] ZINC000102768115 569823328 /nfs/dbraw/zinc/82/33/28/569823328.db2.gz NMPBEPIWKKUHAG-RJGXRXQPSA-N -2 3 458.470 3.835 50 0 JHAAHL CCCCN(C)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1=O ZINC000006181510 520391914 /nfs/dbraw/zinc/39/19/14/520391914.db2.gz NZYDBKFZPFWIAG-UHFFFAOYSA-N -2 3 457.552 3.600 50 0 JHAAHL CCCCN(C)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1[O-] ZINC000006181510 520391922 /nfs/dbraw/zinc/39/19/22/520391922.db2.gz NZYDBKFZPFWIAG-UHFFFAOYSA-N -2 3 457.552 3.600 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])CC1 ZINC000033253526 520585112 /nfs/dbraw/zinc/58/51/12/520585112.db2.gz OGEJAJMVNFMWOC-UHFFFAOYSA-N -2 3 480.970 3.927 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])C1 ZINC000033253403 521303024 /nfs/dbraw/zinc/30/30/24/521303024.db2.gz IBMGABITWMEMLS-KRWDZBQOSA-N -2 3 460.552 3.528 50 0 JHAAHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000001167610 553921095 /nfs/dbraw/zinc/92/10/95/553921095.db2.gz WNJRWSXNVPJKPV-UHFFFAOYSA-N -2 3 480.951 3.713 50 0 JHAAHL Cc1c(CC(=O)NC[C@@H](CC(=O)NC(C)C)c2ccc(Cl)cc2)c(=O)oc2cc([O-])cc([O-])c12 ZINC000009306523 555079562 /nfs/dbraw/zinc/07/95/62/555079562.db2.gz FDLMPRFDRVVUNO-MRXNPFEDSA-N -2 3 486.952 3.523 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c(C)c1 ZINC000009680132 555407816 /nfs/dbraw/zinc/40/78/16/555407816.db2.gz UMDZDXGWEDQXRM-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccccc4)c([O-])c3c2)c(C)c1 ZINC000009680132 555407819 /nfs/dbraw/zinc/40/78/19/555407819.db2.gz UMDZDXGWEDQXRM-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL COCCOc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C(=O)[O-])cc1OC ZINC000010512072 555722219 /nfs/dbraw/zinc/72/22/19/555722219.db2.gz KJBSOCUZTAKHRM-UHFFFAOYSA-N -2 3 451.541 3.762 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000014342866 555795435 /nfs/dbraw/zinc/79/54/35/555795435.db2.gz FBHNAQSAIOHFAF-UHFFFAOYSA-N -2 3 497.451 3.790 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCc3ccccc3)c(=O)c2c1 ZINC000006181450 562937035 /nfs/dbraw/zinc/93/70/35/562937035.db2.gz ISJHBPJDBMXULV-UHFFFAOYSA-N -2 3 461.543 3.610 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NCCc3ccccc3)c([O-])c2c1 ZINC000006181450 562937036 /nfs/dbraw/zinc/93/70/36/562937036.db2.gz ISJHBPJDBMXULV-UHFFFAOYSA-N -2 3 461.543 3.610 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])C1 ZINC000032962060 569602874 /nfs/dbraw/zinc/60/28/74/569602874.db2.gz RIABPDJTTCHYDV-SFHVURJKSA-N -2 3 474.579 3.890 50 0 JHAAHL CCOC(=O)c1cnn(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3[O-])c2)c1C(F)(F)F ZINC000062592011 569612665 /nfs/dbraw/zinc/61/26/65/569612665.db2.gz LVBAGBMAPQABRX-UHFFFAOYSA-N -2 3 469.441 3.883 50 0 JHAAHL Cc1cc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)ccc1OCCCC(=O)[O-] ZINC000062613678 569613137 /nfs/dbraw/zinc/61/31/37/569613137.db2.gz UGKNKHNSDUBAHG-UHFFFAOYSA-N -2 3 467.853 3.611 50 0 JHAAHL COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(-c3ccc(Cl)cc3)c1[O-])N(C(C)=O)CC2 ZINC000100750022 569768883 /nfs/dbraw/zinc/76/88/83/569768883.db2.gz YNRLFYJBBOOPLV-HXUWFJFHSA-N -2 3 487.965 3.765 50 0 biogenic JHAAHL O=C([O-])c1ccc2c([C@@H](C(=O)[O-])N3CCN(Cc4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036353233 569771415 /nfs/dbraw/zinc/77/14/15/569771415.db2.gz RFLWBVUGGUFOSG-SANMLTNESA-N -2 3 484.556 3.726 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(c3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036358945 569772289 /nfs/dbraw/zinc/77/22/89/569772289.db2.gz HVGZPRJECSQXHR-RUZDIDTESA-N -2 3 470.529 3.731 50 0 JHAAHL COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(C/C=C/c3ccccc3)CC1)cn2CCC(=O)[O-] ZINC000036369824 569773228 /nfs/dbraw/zinc/77/32/28/569773228.db2.gz IKFYRUCZQPCYNP-OZJHFHSKSA-N -2 3 477.561 3.581 50 0 biogenic JHAAHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100933119 569776437 /nfs/dbraw/zinc/77/64/37/569776437.db2.gz JWRQUTBOYGORNK-PSWAGMNNSA-N -2 3 458.518 3.763 50 0 JHAAHL Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OCC(=O)[O-])c(C)c1 ZINC000230041695 570043886 /nfs/dbraw/zinc/04/38/86/570043886.db2.gz IVMLNIBWUHXTQG-ISJGIBHGSA-N -2 3 472.497 3.818 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000003991869 194368060 /nfs/dbraw/zinc/36/80/60/194368060.db2.gz YASSJCNUDCSHQF-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000012631021 195063144 /nfs/dbraw/zinc/06/31/44/195063144.db2.gz PHLILBAOCHHLNI-NRFANRHFSA-N -2 3 474.922 3.797 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1 ZINC000008595148 521134080 /nfs/dbraw/zinc/13/40/80/521134080.db2.gz GOGBEYZSWFSBPU-UHFFFAOYSA-N -2 3 477.542 3.658 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4)c([O-])c3c2)cc1 ZINC000008595148 521134089 /nfs/dbraw/zinc/13/40/89/521134089.db2.gz GOGBEYZSWFSBPU-UHFFFAOYSA-N -2 3 477.542 3.658 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])C1 ZINC000033253399 521302748 /nfs/dbraw/zinc/30/27/48/521302748.db2.gz DNSJYXKXACXCMD-AWEZNQCLSA-N -2 3 496.969 3.627 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c1 ZINC000008595172 524439041 /nfs/dbraw/zinc/43/90/41/524439041.db2.gz NICRGCFCBZVDGP-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 aggregator JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccccc4)c([O-])c3c2)c1 ZINC000008595172 524439053 /nfs/dbraw/zinc/43/90/53/524439053.db2.gz NICRGCFCBZVDGP-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 aggregator JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])CC1 ZINC000033253076 524563494 /nfs/dbraw/zinc/56/34/94/524563494.db2.gz GFEKUBVIYSHGJY-UHFFFAOYSA-N -2 3 485.537 3.660 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)c1 ZINC000033253241 524806937 /nfs/dbraw/zinc/80/69/37/524806937.db2.gz LLGLMGZLDAAPRD-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000006181457 525271583 /nfs/dbraw/zinc/27/15/83/525271583.db2.gz SQOOJWDENVCYIH-YWZLYKJASA-N -2 3 453.564 3.946 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c([O-])c2c1 ZINC000006181457 525271592 /nfs/dbraw/zinc/27/15/92/525271592.db2.gz SQOOJWDENVCYIH-YWZLYKJASA-N -2 3 453.564 3.946 50 0 JHAAHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCC3)c(=O)c2c1 ZINC000008595168 525779948 /nfs/dbraw/zinc/77/99/48/525779948.db2.gz OFWVAHGTBWWKHU-UHFFFAOYSA-N -2 3 459.955 3.963 50 0 aggregator JHAAHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c([O-])c2c1 ZINC000008595168 525779951 /nfs/dbraw/zinc/77/99/51/525779951.db2.gz OFWVAHGTBWWKHU-UHFFFAOYSA-N -2 3 459.955 3.963 50 0 aggregator JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(Cc2ccccc2F)CC1 ZINC000033253232 526354111 /nfs/dbraw/zinc/35/41/11/526354111.db2.gz WLWOHTSCMHAGLL-UHFFFAOYSA-N -2 3 469.538 3.647 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000008778963 554675741 /nfs/dbraw/zinc/67/57/41/554675741.db2.gz NBUAJDWFMLMVEY-QGZVFWFLSA-N -2 3 495.557 3.731 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1 ZINC000009680087 555407410 /nfs/dbraw/zinc/40/74/10/555407410.db2.gz JTYVFOWMELLMTK-UHFFFAOYSA-N -2 3 453.564 3.954 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)cc1 ZINC000009680087 555407412 /nfs/dbraw/zinc/40/74/12/555407412.db2.gz JTYVFOWMELLMTK-UHFFFAOYSA-N -2 3 453.564 3.954 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000012548570 556026865 /nfs/dbraw/zinc/02/68/65/556026865.db2.gz DLUTZUAELYIVHD-MRXNPFEDSA-N -2 3 456.520 3.916 50 0 JHAAHL O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000012973125 556164934 /nfs/dbraw/zinc/16/49/34/556164934.db2.gz YZUXWCOIBJNQOH-UHFFFAOYSA-N -2 3 460.895 3.505 50 0 JHAAHL CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000095346142 569722229 /nfs/dbraw/zinc/72/22/29/569722229.db2.gz IMMVMIKOQHAMIG-AEFFLSMTSA-N -2 3 460.715 3.734 50 0 JHAAHL Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)c(C)c1 ZINC000036360714 569772719 /nfs/dbraw/zinc/77/27/19/569772719.db2.gz QIUUYILZPXIRSA-QHCPKHFHSA-N -2 3 455.942 3.944 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S ZINC000101456019 569798279 /nfs/dbraw/zinc/79/82/79/569798279.db2.gz KYJIUAGIHOGRLL-HNNXBMFYSA-N -2 3 465.373 3.872 50 0 JHAAHL CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1cc(Br)c([O-])c(OC)c1)N(C)C2=O ZINC000004100654 194377617 /nfs/dbraw/zinc/37/76/17/194377617.db2.gz ODIQHYXIRGUGSQ-RBUKOAKNSA-N -2 3 494.338 3.956 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012605619 195051344 /nfs/dbraw/zinc/05/13/44/195051344.db2.gz MBKODTFJEYBAJL-UHFFFAOYSA-N -2 3 450.513 3.744 50 0 JHAAHL CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253801 521669318 /nfs/dbraw/zinc/66/93/18/521669318.db2.gz NQGQUHRDDAJOMQ-UHFFFAOYSA-N -2 3 472.567 3.746 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCCC4)c(=O)c3c2)cc1 ZINC000008595130 523996313 /nfs/dbraw/zinc/99/63/13/523996313.db2.gz WWCMCMXAWXMBFB-UHFFFAOYSA-N -2 3 453.564 3.908 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCCC4)c([O-])c3c2)cc1 ZINC000008595130 523996318 /nfs/dbraw/zinc/99/63/18/523996318.db2.gz WWCMCMXAWXMBFB-UHFFFAOYSA-N -2 3 453.564 3.908 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253019 524324594 /nfs/dbraw/zinc/32/45/94/524324594.db2.gz DMHBFDZRBGRNLD-UHFFFAOYSA-N -2 3 480.590 3.832 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253046 525083857 /nfs/dbraw/zinc/08/38/57/525083857.db2.gz NQXIYYRINMIISK-UHFFFAOYSA-N -2 3 485.537 3.660 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])c2)c(C)c1 ZINC000035529630 563120223 /nfs/dbraw/zinc/12/02/23/563120223.db2.gz ZJBANSURQWSLKI-UHFFFAOYSA-N -3 3 460.533 3.603 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000032962004 569602716 /nfs/dbraw/zinc/60/27/16/569602716.db2.gz DYAQQSRGOKMMHI-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007050 569615196 /nfs/dbraw/zinc/61/51/96/569615196.db2.gz VUQRDFHZHMTXPN-UHFFFAOYSA-N -2 3 481.574 3.911 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])c(C)c1 ZINC000033007461 569615446 /nfs/dbraw/zinc/61/54/46/569615446.db2.gz XIBHVPTVPNQLFO-UHFFFAOYSA-N -2 3 495.605 3.618 50 0 JHAAHL O=C(C[C@@H](c1ccco1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096113835 569732962 /nfs/dbraw/zinc/73/29/62/569732962.db2.gz YUFMDQIVAITJQN-KRWDZBQOSA-N -2 3 461.470 3.845 50 0 biogenic JHAAHL Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OCC(=O)[O-])c(C)c1 ZINC000102762618 569822446 /nfs/dbraw/zinc/82/24/46/569822446.db2.gz IVMLNIBWUHXTQG-UBFVSLLYSA-N -2 3 472.497 3.818 50 0 JHAAHL O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21 ZINC000217879582 569881974 /nfs/dbraw/zinc/88/19/74/569881974.db2.gz AWKNYIJWCKENRK-INIZCTEOSA-N -3 3 474.421 3.776 50 0 biogenic JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000001154861 194052370 /nfs/dbraw/zinc/05/23/70/194052370.db2.gz ONOLDSXITDJEIO-UHFFFAOYSA-N -2 3 473.576 3.863 50 0 JHAAHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000003274636 194259721 /nfs/dbraw/zinc/25/97/21/194259721.db2.gz ICSROATYWPWPGR-UHFFFAOYSA-N -2 3 451.595 3.978 50 0 JHAAHL CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1 ZINC000033256368 521696817 /nfs/dbraw/zinc/69/68/17/521696817.db2.gz KUFWIYDEEAGNKP-UHFFFAOYSA-N -2 3 482.606 3.999 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccccc4OC)c(=O)c3c2)cc1 ZINC000006181492 523995633 /nfs/dbraw/zinc/99/56/33/523995633.db2.gz AYSLJGYONNYGMH-UHFFFAOYSA-N -2 3 491.569 3.830 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4OC)c([O-])c3c2)cc1 ZINC000006181492 523995638 /nfs/dbraw/zinc/99/56/38/523995638.db2.gz AYSLJGYONNYGMH-UHFFFAOYSA-N -2 3 491.569 3.830 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000016719143 524646022 /nfs/dbraw/zinc/64/60/22/524646022.db2.gz IJNSPUMHDHDXPF-GHRIWEEISA-N -2 3 483.933 3.872 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1OC ZINC000033253461 525084640 /nfs/dbraw/zinc/08/46/40/525084640.db2.gz IWHVNUUATSABFY-UHFFFAOYSA-N -2 3 456.520 3.839 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033253054 526354183 /nfs/dbraw/zinc/35/41/83/526354183.db2.gz ATZWNKRTYWRHII-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]C(=O)N([O-])[C@H]2N(Cc3ccc(F)cc3)C(=S)SC2(C)C)cc1 ZINC000008934570 554829155 /nfs/dbraw/zinc/82/91/55/554829155.db2.gz CYHYXSAHINLZRA-QGZVFWFLSA-N -2 3 483.612 3.862 50 0 JHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000032961654 556578476 /nfs/dbraw/zinc/57/84/76/556578476.db2.gz YOYSINIAYWLZHG-UHFFFAOYSA-N -2 3 479.558 3.715 50 0 JHAAHL CC(C)[C@@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115250 569734282 /nfs/dbraw/zinc/73/42/82/569734282.db2.gz YHXSIKPNVNWSPQ-GOSISDBHSA-N -2 3 450.535 3.775 50 0 biogenic JHAAHL COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(c3ccc(C)cc3C)CC1)cn2CCC(=O)[O-] ZINC000036354796 569771670 /nfs/dbraw/zinc/77/16/70/569771670.db2.gz GPECVVGSBGAIGY-RUZDIDTESA-N -2 3 465.550 3.689 50 0 JHAAHL O=S(=O)([N-]c1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000001138392 194043247 /nfs/dbraw/zinc/04/32/47/194043247.db2.gz BNQWHBSLHQJNFD-UHFFFAOYSA-N -2 3 480.951 3.713 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000001138397 194043347 /nfs/dbraw/zinc/04/33/47/194043347.db2.gz PEWBPZJTWRNKAS-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000001149360 194049658 /nfs/dbraw/zinc/04/96/58/194049658.db2.gz QHOIPWAJRJVKPA-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(-c4c(C)cc(C)cc4C)c1[O-])N(C)CC3)OCO2 ZINC000020757108 195216290 /nfs/dbraw/zinc/21/62/90/195216290.db2.gz BTQZGEFSBHQAAR-HXUWFJFHSA-N -2 3 481.574 3.841 50 0 biogenic JHAAHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Nc3cccc(-c4nc(CC)cc(=O)[n-]4)c3)c2)n1 ZINC000058159387 195368438 /nfs/dbraw/zinc/36/84/38/195368438.db2.gz GTIGGRARQPFZLF-UHFFFAOYSA-N -2 3 456.506 3.956 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccc(C)c4)ccc3n2)CC1 ZINC000033256390 519860174 /nfs/dbraw/zinc/86/01/74/519860174.db2.gz ZLEBSTUFBNUJFZ-UHFFFAOYSA-N -2 3 468.579 3.574 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])C1 ZINC000033253402 521119909 /nfs/dbraw/zinc/11/99/09/521119909.db2.gz IBMGABITWMEMLS-QGZVFWFLSA-N -2 3 460.552 3.528 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])C1 ZINC000033253425 521302989 /nfs/dbraw/zinc/30/29/89/521302989.db2.gz AFYFFIMQUZSYAI-KRWDZBQOSA-N -2 3 460.552 3.582 50 0 JHAAHL CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253799 521669552 /nfs/dbraw/zinc/66/95/52/521669552.db2.gz IZQUFZACUPEGDP-UHFFFAOYSA-N -2 3 460.531 3.876 50 0 JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1 ZINC000033253071 524563743 /nfs/dbraw/zinc/56/37/43/524563743.db2.gz QQTQVTBODYFJNW-UHFFFAOYSA-N -2 3 481.574 3.829 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c1 ZINC000033253139 524805387 /nfs/dbraw/zinc/80/53/87/524805387.db2.gz XIJINOLXLODUPW-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccc(C)cc4)c(=O)c3c2)c1 ZINC000009680002 555406914 /nfs/dbraw/zinc/40/69/14/555406914.db2.gz PYPNHKHIEMRCEJ-UHFFFAOYSA-N -2 3 477.542 3.576 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(C)cc4)c([O-])c3c2)c1 ZINC000009680002 555406917 /nfs/dbraw/zinc/40/69/17/555406917.db2.gz PYPNHKHIEMRCEJ-UHFFFAOYSA-N -2 3 477.542 3.576 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[n-]c1=S ZINC000015834906 556019957 /nfs/dbraw/zinc/01/99/57/556019957.db2.gz HCPKWHPINOAGLO-OAHLLOKOSA-N -2 3 490.582 3.525 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1 ZINC000033006904 569615027 /nfs/dbraw/zinc/61/50/27/569615027.db2.gz KJIFLWSJSISQFS-UHFFFAOYSA-N -2 3 481.574 3.829 50 0 JHAAHL O=C(C[C@H](c1ccncc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115195 569734237 /nfs/dbraw/zinc/73/42/37/569734237.db2.gz RLYAVTMMLJUKTQ-LJQANCHMSA-N -2 3 472.497 3.647 50 0 biogenic JHAAHL O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000036366997 569773000 /nfs/dbraw/zinc/77/30/00/569773000.db2.gz BONYXCABKCLINY-BSBODGDASA-N -2 3 467.953 3.836 50 0 JHAAHL O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21 ZINC000217879674 569882029 /nfs/dbraw/zinc/88/20/29/569882029.db2.gz AWKNYIJWCKENRK-MRXNPFEDSA-N -3 3 474.421 3.776 50 0 biogenic JHAAHL COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O ZINC000263586003 570171471 /nfs/dbraw/zinc/17/14/71/570171471.db2.gz OWMVPTMESZCOFP-DWXRJYCRSA-N -2 3 479.485 3.730 50 0 biogenic JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1C ZINC000001145645 194047461 /nfs/dbraw/zinc/04/74/61/194047461.db2.gz BCJBQTSHRGFFBV-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001146850 194048290 /nfs/dbraw/zinc/04/82/90/194048290.db2.gz GJLYRHUCUQUFEQ-UHFFFAOYSA-N -2 3 450.513 3.744 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3n2)CC1 ZINC000033256382 519860320 /nfs/dbraw/zinc/86/03/20/519860320.db2.gz QLUDPJLDVFSHSS-UHFFFAOYSA-N -2 3 488.997 3.919 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253127 525607317 /nfs/dbraw/zinc/60/73/17/525607317.db2.gz VEUCTBXMCZWEND-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033253103 526352915 /nfs/dbraw/zinc/35/29/15/526352915.db2.gz PZYKODHLJPFPCC-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033253227 526354219 /nfs/dbraw/zinc/35/42/19/526354219.db2.gz REFWQCMSNQJRHB-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033253125 526354668 /nfs/dbraw/zinc/35/46/68/526354668.db2.gz QGAOSZVYKCLSQK-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013469847 555402513 /nfs/dbraw/zinc/40/25/13/555402513.db2.gz PZPJJIJTYSKOEQ-UHFFFAOYSA-N -3 3 462.524 3.565 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000022196725 555884289 /nfs/dbraw/zinc/88/42/89/555884289.db2.gz SHJDRLPIXGKIFH-UHFFFAOYSA-N -2 3 481.530 3.802 50 0 JHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1Br ZINC000012927386 556145564 /nfs/dbraw/zinc/14/55/64/556145564.db2.gz PENBZQPSJQBRMT-UHFFFAOYSA-N -2 3 453.083 3.850 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000032962009 569602709 /nfs/dbraw/zinc/60/27/09/569602709.db2.gz GPKPVEYRUTYEAQ-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000032962003 569602721 /nfs/dbraw/zinc/60/27/21/569602721.db2.gz ZELNCPNDKCOILQ-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])CC1 ZINC000032962094 569602860 /nfs/dbraw/zinc/60/28/60/569602860.db2.gz CTJMGJRCGYOJSX-UHFFFAOYSA-N -2 3 474.579 3.890 50 0 JHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1 ZINC000032971076 569603694 /nfs/dbraw/zinc/60/36/94/569603694.db2.gz SCHQDFHBSOOSIX-UHFFFAOYSA-N -2 3 471.535 3.672 50 0 JHAAHL O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000033006908 569615052 /nfs/dbraw/zinc/61/50/52/569615052.db2.gz KMHZEVQPYZJUDI-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL CN1CCN(C(=O)C[C@H](c2cccnc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096114315 569733530 /nfs/dbraw/zinc/73/35/30/569733530.db2.gz LGRICXHCVVXLFY-HXUWFJFHSA-N -2 3 485.540 3.562 50 0 biogenic JHAAHL COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3ccc(Cl)cc3)c1[O-])N(C(C)=O)CC2 ZINC000100750024 569768870 /nfs/dbraw/zinc/76/88/70/569768870.db2.gz YNRLFYJBBOOPLV-FQEVSTJZSA-N -2 3 487.965 3.765 50 0 biogenic JHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCn2nc3c(c2C(F)(F)F)CCC3)c(Cl)cc1Cl ZINC000036615089 569778293 /nfs/dbraw/zinc/77/82/93/569778293.db2.gz PGSHKEYCYFJKPQ-UHFFFAOYSA-N -2 3 486.299 3.764 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000001138787 194043563 /nfs/dbraw/zinc/04/35/63/194043563.db2.gz DEABMMHNZGUHTK-UHFFFAOYSA-N -2 3 492.575 3.704 50 0 JHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)cc2)cc1 ZINC000001141980 194045426 /nfs/dbraw/zinc/04/54/26/194045426.db2.gz CVGIIFNHUDSTCZ-UHFFFAOYSA-N -2 3 492.575 3.704 50 0 JHAAHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001151368 194050741 /nfs/dbraw/zinc/05/07/41/194050741.db2.gz KIMPDKVUXNPOBG-UHFFFAOYSA-N -2 3 489.575 3.564 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4C)ccc3n2)CC1 ZINC000033256376 519860199 /nfs/dbraw/zinc/86/01/99/519860199.db2.gz PSSVRWKLAIVQMH-UHFFFAOYSA-N -2 3 468.579 3.574 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])C1 ZINC000033253393 521303540 /nfs/dbraw/zinc/30/35/40/521303540.db2.gz YYAIRIXJTMUXAV-KRWDZBQOSA-N -2 3 460.552 3.582 50 0 JHAAHL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c1 ZINC000033253043 524457428 /nfs/dbraw/zinc/45/74/28/524457428.db2.gz KGQWKYULRPXGBZ-UHFFFAOYSA-N -2 3 466.563 3.524 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2)CC1 ZINC000096493317 534930742 /nfs/dbraw/zinc/93/07/42/534930742.db2.gz IHNQVQDDPUBUQF-UHFFFAOYSA-N -2 3 490.532 3.544 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000000673951 553747252 /nfs/dbraw/zinc/74/72/52/553747252.db2.gz KBRCRACPQGIPAO-UHFFFAOYSA-N -2 3 473.576 3.863 50 0 JHAAHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000912654 553841952 /nfs/dbraw/zinc/84/19/52/553841952.db2.gz RKSIWXJBKKOWCF-UHFFFAOYSA-N -2 3 474.560 3.676 50 0 JHAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000009126909 554921470 /nfs/dbraw/zinc/92/14/70/554921470.db2.gz BTKFDBUJZMADJM-UHFFFAOYSA-N -2 3 464.540 3.998 50 0 JHAAHL O=C(Nc1ncccc1[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000022265351 555906689 /nfs/dbraw/zinc/90/66/89/555906689.db2.gz CVKOJDVFKNNBFG-UHFFFAOYSA-N -2 3 454.327 3.664 50 0 JHAAHL O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000022993288 555995941 /nfs/dbraw/zinc/99/59/41/555995941.db2.gz FOIOFTQSPRVCKK-UHFFFAOYSA-N -2 3 469.906 3.940 50 0 JHAAHL CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000032961805 556579121 /nfs/dbraw/zinc/57/91/21/556579121.db2.gz UXEMMAOOWLXCSS-UHFFFAOYSA-N -2 3 458.367 3.634 50 0 JHAAHL CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C(=O)[O-])CC1 ZINC000064580540 569620381 /nfs/dbraw/zinc/62/03/81/569620381.db2.gz NSNOPTBJSRXMMK-UHFFFAOYSA-N -2 3 457.596 3.985 50 0 JHAAHL O=C([O-])c1ccc2c([C@@H](C(=O)[O-])N3CCN(CCc4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036358138 569772155 /nfs/dbraw/zinc/77/21/55/569772155.db2.gz OVNDSAIDZJYQFT-MHZLTWQESA-N -2 3 498.583 3.769 50 0 JHAAHL CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1C(=O)[O-] ZINC000230030723 570043701 /nfs/dbraw/zinc/04/37/01/570043701.db2.gz NMPBEPIWKKUHAG-YTFSRNRJSA-N -2 3 458.470 3.835 50 0 JHAAHL CC(C)c1ccc(-n2c([O-])c([C@H]3c4cc5c(cc4CCN3C)OCO5)c(=O)[n-]c2=S)cc1 ZINC000001321753 194085080 /nfs/dbraw/zinc/08/50/80/194085080.db2.gz YFLDXUVFBYNOCL-OAQYLSRUSA-N -2 3 451.548 3.656 50 0 biogenic JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4cccc(C)c4)c(=O)c3c2)c1 ZINC000008813769 554696228 /nfs/dbraw/zinc/69/62/28/554696228.db2.gz DAKCJNCEQFSBOL-UHFFFAOYSA-N -2 3 491.569 3.618 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4cccc(C)c4)c([O-])c3c2)c1 ZINC000008813769 554696230 /nfs/dbraw/zinc/69/62/30/554696230.db2.gz DAKCJNCEQFSBOL-UHFFFAOYSA-N -2 3 491.569 3.618 50 0 JHAAHL COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])nc([O-])n(-c2cccc3ccccc32)c1=O ZINC000009014304 554865494 /nfs/dbraw/zinc/86/54/94/554865494.db2.gz KBOMDUGLPHOAOV-QHCPKHFHSA-N -2 3 454.486 3.522 50 0 biogenic JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000009714252 555442705 /nfs/dbraw/zinc/44/27/05/555442705.db2.gz JFNVTHJSRAXCOU-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL O=C(c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O)N1CCCC1 ZINC000020211827 555704650 /nfs/dbraw/zinc/70/46/50/555704650.db2.gz DIYUMODMDLRAMN-UHFFFAOYSA-N -2 3 465.453 3.584 50 0 JHAAHL O=C(c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-])N1CCCC1 ZINC000020211827 555704651 /nfs/dbraw/zinc/70/46/51/555704651.db2.gz DIYUMODMDLRAMN-UHFFFAOYSA-N -2 3 465.453 3.584 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[n-]c1=S ZINC000015834909 556019973 /nfs/dbraw/zinc/01/99/73/556019973.db2.gz HCPKWHPINOAGLO-HNNXBMFYSA-N -2 3 490.582 3.525 50 0 JHAAHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000023144062 556022951 /nfs/dbraw/zinc/02/29/51/556022951.db2.gz FBVWACQLPWORRT-UHFFFAOYSA-N -2 3 494.566 3.761 50 0 JHAAHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985226 569608321 /nfs/dbraw/zinc/60/83/21/569608321.db2.gz KDGFHSIEHSNQAU-UHFFFAOYSA-N -2 3 468.579 3.609 50 0 JHAAHL CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)cc1 ZINC000033006879 569615043 /nfs/dbraw/zinc/61/50/43/569615043.db2.gz NJWZDVUFLWSAOV-UHFFFAOYSA-N -2 3 497.548 3.854 50 0 JHAAHL O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000063620097 569615717 /nfs/dbraw/zinc/61/57/17/569615717.db2.gz VCYWLMRHDSUIQZ-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(Cc3cccnc3)CC1)cn2Cc1ccccc1 ZINC000036358815 569772210 /nfs/dbraw/zinc/77/22/10/569772210.db2.gz IWAAEQKRRTWYLM-AREMUKBSSA-N -2 3 484.556 3.726 50 0 JHAAHL O=C([O-])c1ccc2c([C@@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036365842 569772874 /nfs/dbraw/zinc/77/28/74/569772874.db2.gz AELZZUOWYXIPDA-SANMLTNESA-N -2 3 484.556 3.726 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[n-]c1=S ZINC000101495394 569800384 /nfs/dbraw/zinc/80/03/84/569800384.db2.gz OAJOBROBLQCYLE-OAHLLOKOSA-N -2 3 460.556 3.516 50 0 JHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000001148421 194049434 /nfs/dbraw/zinc/04/94/34/194049434.db2.gz OVAMZWXEGQHOJD-UHFFFAOYSA-N -2 3 462.549 3.696 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3cc(C)sc3C)c2)cc1 ZINC000012605783 195051524 /nfs/dbraw/zinc/05/15/24/195051524.db2.gz XUBJPWPNAHNXNG-UHFFFAOYSA-N -2 3 482.605 3.984 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C)cc4C)ccc3n2)CC1 ZINC000033256362 519860163 /nfs/dbraw/zinc/86/01/63/519860163.db2.gz DSBNINWXQAWNDC-UHFFFAOYSA-N -2 3 482.606 3.883 50 0 JHAAHL CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033253519 520585754 /nfs/dbraw/zinc/58/57/54/520585754.db2.gz NPPSMFXGJBLIFS-UHFFFAOYSA-N -2 3 496.969 3.627 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000006181456 525272273 /nfs/dbraw/zinc/27/22/73/525272273.db2.gz SQOOJWDENVCYIH-MGPUTAFESA-N -2 3 453.564 3.946 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c([O-])c2c1 ZINC000006181456 525272276 /nfs/dbraw/zinc/27/22/76/525272276.db2.gz SQOOJWDENVCYIH-MGPUTAFESA-N -2 3 453.564 3.946 50 0 JHAAHL O=C([N-]c1nnc(CCSCCc2nnc([N-]C(=O)c3ccco3)s2)s1)c1ccco1 ZINC000002897206 554409820 /nfs/dbraw/zinc/40/98/20/554409820.db2.gz BSBKWBVBCRCTBY-UHFFFAOYSA-N -2 3 476.565 3.599 50 0 JHAAHL Cc1ccc(N)c(S(=O)(=O)[N-]c2cc([N-]S(=O)(=O)c3cc(N)ccc3C)cc(C)c2C)c1 ZINC000006088860 554503886 /nfs/dbraw/zinc/50/38/86/554503886.db2.gz VBIVKUUHWIRVMW-UHFFFAOYSA-N -2 3 474.608 3.686 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000009490984 555267560 /nfs/dbraw/zinc/26/75/60/555267560.db2.gz VDKFAPAIOQCYIW-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL COc1cc(OC)c(S(=O)(=O)[N-]c2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000020228077 555718733 /nfs/dbraw/zinc/71/87/33/555718733.db2.gz WFEJJJANIYGAQS-UHFFFAOYSA-N -2 3 484.502 3.584 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000012557055 556044257 /nfs/dbraw/zinc/04/42/57/556044257.db2.gz RJHXJPBHBKSNRH-UHFFFAOYSA-N -2 3 466.471 3.560 50 0 JHAAHL COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(-c3ccc(Br)cc3)c1[O-])NCC2 ZINC000017045483 556210670 /nfs/dbraw/zinc/21/06/70/556210670.db2.gz KXNQONJPVVTKDJ-GOSISDBHSA-N -2 3 490.379 3.615 50 0 biogenic JHAAHL O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000032961993 569602744 /nfs/dbraw/zinc/60/27/44/569602744.db2.gz CTOKDTFANXCYAC-UHFFFAOYSA-N -2 3 469.538 3.647 50 0 JHAAHL CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032971083 569603649 /nfs/dbraw/zinc/60/36/49/569603649.db2.gz FBZOWVACADHABW-UHFFFAOYSA-N -2 3 484.578 3.940 50 0 JHAAHL CCOc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000033006914 569615070 /nfs/dbraw/zinc/61/50/70/569615070.db2.gz VAQLAQVVWPLXIS-UHFFFAOYSA-N -2 3 481.574 3.911 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])cc1C ZINC000033007421 569615423 /nfs/dbraw/zinc/61/54/23/569615423.db2.gz LRIHRHLEZWZKNT-UHFFFAOYSA-N -2 3 495.605 3.618 50 0 JHAAHL CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2C(=O)[O-])CC1 ZINC000063600908 569615689 /nfs/dbraw/zinc/61/56/89/569615689.db2.gz RRSZMIOZYBOJLR-UHFFFAOYSA-N -2 3 488.429 3.542 50 0 JHAAHL COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(c3ccc(C)cc3C)CC1)cn2CCC(=O)[O-] ZINC000036354795 569771664 /nfs/dbraw/zinc/77/16/64/569771664.db2.gz GPECVVGSBGAIGY-VWLOTQADSA-N -2 3 465.550 3.689 50 0 JHAAHL Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1 ZINC000036359732 569772443 /nfs/dbraw/zinc/77/24/43/569772443.db2.gz IBCLAXZVAKBCQV-DEOSSOPVSA-N -2 3 453.514 3.820 50 0 JHAAHL CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])c1 ZINC000102767283 569823337 /nfs/dbraw/zinc/82/33/37/569823337.db2.gz MXEXZYNIEJUBQB-XPWALMASSA-N -2 3 458.470 3.835 50 0 JHAAHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc(C)n1 ZINC000001127184 194036896 /nfs/dbraw/zinc/03/68/96/194036896.db2.gz VJDBAZFTFBWAJP-UHFFFAOYSA-N -2 3 474.608 3.894 50 0 JHAAHL CSc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1 ZINC000004647409 194393087 /nfs/dbraw/zinc/39/30/87/194393087.db2.gz RMYOTHLKNTWZQT-UHFFFAOYSA-N -2 3 489.619 3.596 50 0 JHAAHL CSc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCCOC(C)C)c([O-])c3c2)c1 ZINC000004647409 194393090 /nfs/dbraw/zinc/39/30/90/194393090.db2.gz RMYOTHLKNTWZQT-UHFFFAOYSA-N -2 3 489.619 3.596 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)cc1 ZINC000004647476 194393224 /nfs/dbraw/zinc/39/32/24/194393224.db2.gz LXHPTVDXCNHANQ-UHFFFAOYSA-N -2 3 491.569 4.000 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c([O-])c3c2)cc1 ZINC000004647476 194393226 /nfs/dbraw/zinc/39/32/26/194393226.db2.gz LXHPTVDXCNHANQ-UHFFFAOYSA-N -2 3 491.569 4.000 50 0 JHAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c1 ZINC000033253024 524194642 /nfs/dbraw/zinc/19/46/42/524194642.db2.gz ITJYOMKBHCSDFS-UHFFFAOYSA-N -2 3 466.563 3.524 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033253098 525332305 /nfs/dbraw/zinc/33/23/05/525332305.db2.gz CBSUNMHVERUTIU-UHFFFAOYSA-N -2 3 451.548 3.821 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253049 525606838 /nfs/dbraw/zinc/60/68/38/525606838.db2.gz HMQZCTAIMJKNJW-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL Cc1cccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2C)c1 ZINC000013347579 555377846 /nfs/dbraw/zinc/37/78/46/555377846.db2.gz KALYJHSNJZTOOT-UHFFFAOYSA-N -3 3 460.533 3.603 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H]4CCCC[C@H]4C)c(=O)c3c2)c1 ZINC000009680008 555406825 /nfs/dbraw/zinc/40/68/25/555406825.db2.gz VCILMZPEQSXJDM-VFNWGFHPSA-N -2 3 469.563 3.646 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H]4CCCC[C@H]4C)c([O-])c3c2)c1 ZINC000009680008 555406828 /nfs/dbraw/zinc/40/68/28/555406828.db2.gz VCILMZPEQSXJDM-VFNWGFHPSA-N -2 3 469.563 3.646 50 0 JHAAHL COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3cccc(C(F)(F)F)c3)c1[O-])NCC2 ZINC000020171633 555681248 /nfs/dbraw/zinc/68/12/48/555681248.db2.gz UMOCTPQBNVIOFD-SFHVURJKSA-N -2 3 479.480 3.872 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1 ZINC000011851840 555835155 /nfs/dbraw/zinc/83/51/55/555835155.db2.gz DQJZBFDSKVRTDN-UHFFFAOYSA-N -2 3 460.581 3.620 50 0 JHAAHL O=C(NC1CCCCCC1)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2c1=O ZINC000006181536 569588787 /nfs/dbraw/zinc/58/87/87/569588787.db2.gz XODFLRLJQUVEIX-UHFFFAOYSA-N -2 3 497.573 3.553 50 0 JHAAHL O=C(NC1CCCCCC1)c1cnc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2c1[O-] ZINC000006181536 569588788 /nfs/dbraw/zinc/58/87/88/569588788.db2.gz XODFLRLJQUVEIX-UHFFFAOYSA-N -2 3 497.573 3.553 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c(C(=O)[O-])c2)C1 ZINC000033007271 569615391 /nfs/dbraw/zinc/61/53/91/569615391.db2.gz KSKWFXBDIZLUOK-KRWDZBQOSA-N -2 3 460.552 3.582 50 0 JHAAHL O=C(C[C@H](c1ccco1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096113836 569732841 /nfs/dbraw/zinc/73/28/41/569732841.db2.gz YUFMDQIVAITJQN-QGZVFWFLSA-N -2 3 461.470 3.845 50 0 biogenic JHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(Cc3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036354517 569771681 /nfs/dbraw/zinc/77/16/81/569771681.db2.gz MLZNLEOBEQQPPU-SANMLTNESA-N -2 3 484.556 3.726 50 0 JHAAHL CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(-c2ccc(Br)cc2)c1[O-] ZINC000100915493 569775669 /nfs/dbraw/zinc/77/56/69/569775669.db2.gz HYXJQCPALSORCJ-GOSISDBHSA-N -2 3 472.364 3.857 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)cc1 ZINC000001118347 194031541 /nfs/dbraw/zinc/03/15/41/194031541.db2.gz JEQQTFYRCJQNKY-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000001151354 194050665 /nfs/dbraw/zinc/05/06/65/194050665.db2.gz GUGUJXJCKKUCOZ-UHFFFAOYSA-N -2 3 459.549 3.555 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C(=O)[O-])c1C ZINC000033253780 523633627 /nfs/dbraw/zinc/63/36/27/523633627.db2.gz LJTWJRSUAJHEKX-UHFFFAOYSA-N -2 3 486.594 3.706 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccc(F)cc4)c(=O)c3c2)cc1 ZINC000006181497 523995508 /nfs/dbraw/zinc/99/55/08/523995508.db2.gz BRWBYUZQPUODKW-UHFFFAOYSA-N -2 3 479.533 3.960 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(F)cc4)c([O-])c3c2)cc1 ZINC000006181497 523995514 /nfs/dbraw/zinc/99/55/14/523995514.db2.gz BRWBYUZQPUODKW-UHFFFAOYSA-N -2 3 479.533 3.960 50 0 JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])CC1 ZINC000033253078 524564292 /nfs/dbraw/zinc/56/42/92/524564292.db2.gz OUOHCPGZLGKINI-UHFFFAOYSA-N -2 3 499.564 3.968 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033253131 526353557 /nfs/dbraw/zinc/35/35/57/526353557.db2.gz PISUSEJQKUIECR-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000001112302 553909528 /nfs/dbraw/zinc/90/95/28/553909528.db2.gz CYWZWQDTCRKENM-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccccc4)c(=O)c3c2)cc1 ZINC000009680091 555407228 /nfs/dbraw/zinc/40/72/28/555407228.db2.gz FBMMEZTXLDGUQU-UHFFFAOYSA-N -2 3 461.543 3.821 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4)c([O-])c3c2)cc1 ZINC000009680091 555407231 /nfs/dbraw/zinc/40/72/31/555407231.db2.gz FBMMEZTXLDGUQU-UHFFFAOYSA-N -2 3 461.543 3.821 50 0 JHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)cc(Br)c1[O-] ZINC000009763716 555489199 /nfs/dbraw/zinc/48/91/99/555489199.db2.gz OKFZYZMXVSKBRS-UHFFFAOYSA-N -3 3 458.110 3.572 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)COc2cccc(Cl)c2)c1 ZINC000012548634 556027174 /nfs/dbraw/zinc/02/71/74/556027174.db2.gz YQAIGKRJECACDK-UHFFFAOYSA-N -2 3 462.911 3.873 50 0 JHAAHL O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000031818574 556407995 /nfs/dbraw/zinc/40/79/95/556407995.db2.gz KKORHHKUHOKNLB-HSZRJFAPSA-N -2 3 484.940 3.573 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c(C(=O)[O-])c2)C1 ZINC000033007269 569615414 /nfs/dbraw/zinc/61/54/14/569615414.db2.gz KSKWFXBDIZLUOK-QGZVFWFLSA-N -2 3 460.552 3.582 50 0 JHAAHL O=C(C[C@H](c1ccc(O)cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096113987 569733085 /nfs/dbraw/zinc/73/30/85/569733085.db2.gz JMYBDGBGOHMNFD-HXUWFJFHSA-N -2 3 487.508 3.958 50 0 biogenic JHAAHL CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])c1 ZINC000102767279 569823254 /nfs/dbraw/zinc/82/32/54/569823254.db2.gz MXEXZYNIEJUBQB-RJGXRXQPSA-N -2 3 458.470 3.835 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)c(OC)c1 ZINC000001145798 194047490 /nfs/dbraw/zinc/04/74/90/194047490.db2.gz UVSNZLHMYOXJMY-UHFFFAOYSA-N -2 3 492.575 3.622 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc([N-]S(=O)(=O)c3cc(N)ccc3C)cc(C)c2C)c(N)c1 ZINC000004244413 194385910 /nfs/dbraw/zinc/38/59/10/194385910.db2.gz HNVOGSPZCJZKKS-UHFFFAOYSA-N -2 3 474.608 3.686 50 0 JHAAHL CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000058009323 195362252 /nfs/dbraw/zinc/36/22/52/195362252.db2.gz XUCOBVSGACAGPY-UHFFFAOYSA-N -2 3 459.612 3.916 50 0 JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033253067 524564580 /nfs/dbraw/zinc/56/45/80/524564580.db2.gz MZJGQRCBLWGGCM-UHFFFAOYSA-N -2 3 485.537 3.660 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009491051 555267611 /nfs/dbraw/zinc/26/76/11/555267611.db2.gz OCHRWSXCZNDXAL-UHFFFAOYSA-N -2 3 478.523 3.507 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000009540599 555333704 /nfs/dbraw/zinc/33/37/04/555333704.db2.gz BQQGFWBIVNXDTH-UHFFFAOYSA-N -2 3 454.476 3.575 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3cccc(C)c3)c2)cc1 ZINC000009613498 555449614 /nfs/dbraw/zinc/44/96/14/555449614.db2.gz GERMLSJONBEQQU-UHFFFAOYSA-N -2 3 462.549 3.614 50 0 JHAAHL CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000013777661 555617164 /nfs/dbraw/zinc/61/71/64/555617164.db2.gz IMMVMIKOQHAMIG-FUHWJXTLSA-N -2 3 460.715 3.734 50 0 JHAAHL COc1cc2c(cc1OC)[C@H](c1c(=O)[n-]c(=S)n(-c3cccc(C(F)(F)F)c3)c1[O-])NCC2 ZINC000020171632 555681092 /nfs/dbraw/zinc/68/10/92/555681092.db2.gz UMOCTPQBNVIOFD-GOSISDBHSA-N -2 3 479.480 3.872 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)[N-]OCc4ccccc4)c3c2)cc1 ZINC000025037090 556172935 /nfs/dbraw/zinc/17/29/35/556172935.db2.gz FSUPYWOKPRRTDG-UHFFFAOYSA-N -2 3 493.541 3.589 50 0 JHAAHL O=C(CCNC(=O)c1cccs1)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000025599140 556227202 /nfs/dbraw/zinc/22/72/02/556227202.db2.gz ARKYXKRLWLYRAY-UHFFFAOYSA-N -2 3 479.967 3.667 50 0 JHAAHL CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])CC2)cc1 ZINC000032961574 556578104 /nfs/dbraw/zinc/57/81/04/556578104.db2.gz OEDOZEJNBPNYBR-UHFFFAOYSA-N -2 3 497.548 3.854 50 0 JHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000032961650 556578348 /nfs/dbraw/zinc/57/83/48/556578348.db2.gz ZKPUJEMCNJDJAM-UHFFFAOYSA-N -2 3 497.548 3.854 50 0 JHAAHL CCOC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000032961625 556578503 /nfs/dbraw/zinc/57/85/03/556578503.db2.gz DCHAUFFFHKYOAR-UHFFFAOYSA-N -2 3 489.594 3.762 50 0 JHAAHL CCCCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1=O ZINC000008595088 562943689 /nfs/dbraw/zinc/94/36/89/562943689.db2.gz PJBSZKOIVKURQR-UHFFFAOYSA-N -2 3 457.552 3.600 50 0 JHAAHL CCCCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1[O-] ZINC000008595088 562943690 /nfs/dbraw/zinc/94/36/90/562943690.db2.gz PJBSZKOIVKURQR-UHFFFAOYSA-N -2 3 457.552 3.600 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000032962006 569602741 /nfs/dbraw/zinc/60/27/41/569602741.db2.gz CFIXPTIRIVZSRP-UHFFFAOYSA-N -2 3 499.564 3.656 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])C1 ZINC000032962054 569602818 /nfs/dbraw/zinc/60/28/18/569602818.db2.gz ZYSPDBCFKKMSJH-SFHVURJKSA-N -2 3 474.579 3.890 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)cc1 ZINC000089639164 569719300 /nfs/dbraw/zinc/71/93/00/569719300.db2.gz BUWOUZLNRXJWFW-UHFFFAOYSA-N -2 3 452.941 3.956 50 0 JHAAHL O=C(C[C@@H](c1cccc(O)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114222 569733304 /nfs/dbraw/zinc/73/33/04/569733304.db2.gz CIMXJXULCKARBA-FQEVSTJZSA-N -2 3 487.508 3.958 50 0 biogenic JHAAHL CN1CCN(C(=O)C[C@@H](c2cccnc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096114314 569733456 /nfs/dbraw/zinc/73/34/56/569733456.db2.gz LGRICXHCVVXLFY-FQEVSTJZSA-N -2 3 485.540 3.562 50 0 biogenic JHAAHL COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O ZINC000263586004 570171447 /nfs/dbraw/zinc/17/14/47/570171447.db2.gz OWMVPTMESZCOFP-HFJWLAOPSA-N -2 3 479.485 3.730 50 0 biogenic JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000001126320 194036435 /nfs/dbraw/zinc/03/64/35/194036435.db2.gz ZDOPUJBZUOFQGC-UHFFFAOYSA-N -2 3 450.513 3.826 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000001149696 194050020 /nfs/dbraw/zinc/05/00/20/194050020.db2.gz JNSIEMXJUFTRNU-UHFFFAOYSA-N -2 3 452.941 3.950 50 0 JHAAHL CCc1c(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000059367923 195398265 /nfs/dbraw/zinc/39/82/65/195398265.db2.gz LASLSKWVQOJLHK-UHFFFAOYSA-N -2 3 471.535 3.855 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4C)ccc3n2)CC1 ZINC000033256385 519859914 /nfs/dbraw/zinc/85/99/14/519859914.db2.gz AQWFGZBWWGNWGI-UHFFFAOYSA-N -2 3 486.569 3.713 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])C1 ZINC000033253384 521121081 /nfs/dbraw/zinc/12/10/81/521121081.db2.gz OSGXIFZFKIQHNW-QGZVFWFLSA-N -2 3 460.552 3.582 50 0 JHAAHL CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253810 521669473 /nfs/dbraw/zinc/66/94/73/521669473.db2.gz SMLLAKMJBCJMOV-UHFFFAOYSA-N -2 3 460.531 3.876 50 0 JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033253069 524564560 /nfs/dbraw/zinc/56/45/60/524564560.db2.gz NUUUWAXJONPKLM-UHFFFAOYSA-N -2 3 467.547 3.521 50 0 JHAAHL COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])CC1 ZINC000033253077 524564709 /nfs/dbraw/zinc/56/47/09/524564709.db2.gz GNJGLXZFHSVMDX-UHFFFAOYSA-N -2 3 481.574 3.829 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253086 525605548 /nfs/dbraw/zinc/60/55/48/525605548.db2.gz YQOBEVWOUUMWPF-UHFFFAOYSA-N -2 3 451.548 3.821 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253028 525606266 /nfs/dbraw/zinc/60/62/66/525606266.db2.gz FOBSDUDVDPXKSH-UHFFFAOYSA-N -2 3 466.563 3.524 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)c3c2)c1 ZINC000008595405 526210324 /nfs/dbraw/zinc/21/03/24/526210324.db2.gz RNJDWCGCIAZQQX-INIZCTEOSA-N -2 3 477.542 3.829 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)c4ccccc4)c([O-])c3c2)c1 ZINC000008595405 526210330 /nfs/dbraw/zinc/21/03/30/526210330.db2.gz RNJDWCGCIAZQQX-INIZCTEOSA-N -2 3 477.542 3.829 50 0 JHAAHL Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000021883430 526490068 /nfs/dbraw/zinc/49/00/68/526490068.db2.gz ZPMVTIMKPFVXRB-UHFFFAOYSA-N -2 3 461.515 3.917 50 0 JHAAHL O=C([O-])c1ccccc1NC(=O)c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000001196877 553931043 /nfs/dbraw/zinc/93/10/43/553931043.db2.gz NQTAWFMFUDIBBQ-UHFFFAOYSA-N -2 3 489.347 3.878 50 0 JHAAHL O=S(=O)([N-]CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000002085655 554031179 /nfs/dbraw/zinc/03/11/79/554031179.db2.gz ZZNUQABXVRZJGZ-UHFFFAOYSA-N -2 3 478.206 3.557 50 0 JHAAHL O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc2c(c1)OCCCO2 ZINC000009244385 555019291 /nfs/dbraw/zinc/01/92/91/555019291.db2.gz OIBRWBBQFYMMND-UHFFFAOYSA-N -2 3 478.523 3.589 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H]4CCCC[C@H]4C)c(=O)c3c2)c1 ZINC000009680014 555406943 /nfs/dbraw/zinc/40/69/43/555406943.db2.gz VCILMZPEQSXJDM-QVKFZJNVSA-N -2 3 469.563 3.646 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H]4CCCC[C@H]4C)c([O-])c3c2)c1 ZINC000009680014 555406945 /nfs/dbraw/zinc/40/69/45/555406945.db2.gz VCILMZPEQSXJDM-QVKFZJNVSA-N -2 3 469.563 3.646 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]C(=O)N([O-])[C@H]2N(CCc3ccccc3F)C(=S)SC2(C)C)cc1 ZINC000013739533 555606984 /nfs/dbraw/zinc/60/69/84/555606984.db2.gz LHYPTVFULJQZDL-GOSISDBHSA-N -2 3 497.639 3.905 50 0 JHAAHL Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000011865554 555840299 /nfs/dbraw/zinc/84/02/99/555840299.db2.gz SKIXMKPOJFKOBJ-LJQANCHMSA-N -2 3 455.532 3.551 50 0 JHAAHL O=C(Nc1ccccc1[O-])c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000022024242 555863530 /nfs/dbraw/zinc/86/35/30/555863530.db2.gz DCFWECBAKYSTGD-UHFFFAOYSA-N -2 3 453.451 3.838 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1 ZINC000008584652 562940668 /nfs/dbraw/zinc/94/06/68/562940668.db2.gz XYENWAXMXSMTPB-UHFFFAOYSA-N -2 3 451.504 3.503 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N(C)Cc3ccco3)c([O-])c2c1 ZINC000008584652 562940671 /nfs/dbraw/zinc/94/06/71/562940671.db2.gz XYENWAXMXSMTPB-UHFFFAOYSA-N -2 3 451.504 3.503 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000033006953 569615049 /nfs/dbraw/zinc/61/50/49/569615049.db2.gz SGKJHIRWYOEQJI-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000063620102 569615704 /nfs/dbraw/zinc/61/57/04/569615704.db2.gz YBGNUWDFISWHPI-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL O=C([O-])c1ccc(N2CCN(C3CCCCC3)CC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000063600963 569615795 /nfs/dbraw/zinc/61/57/95/569615795.db2.gz VXEUNZUUWHQFCS-UHFFFAOYSA-N -2 3 479.549 3.919 50 0 JHAAHL CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000095346141 569722164 /nfs/dbraw/zinc/72/21/64/569722164.db2.gz IMMVMIKOQHAMIG-WMZOPIPTSA-N -2 3 460.715 3.734 50 0 JHAAHL O=C(C[C@H](c1cccc(O)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114223 569733240 /nfs/dbraw/zinc/73/32/40/569733240.db2.gz CIMXJXULCKARBA-HXUWFJFHSA-N -2 3 487.508 3.958 50 0 biogenic JHAAHL CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101148530 569784673 /nfs/dbraw/zinc/78/46/73/569784673.db2.gz WUWXFDXVBMULET-FUHWJXTLSA-N -2 3 490.741 3.708 50 0 JHAAHL COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O ZINC000263586006 570171513 /nfs/dbraw/zinc/17/15/13/570171513.db2.gz OWMVPTMESZCOFP-WXTAPIANSA-N -2 3 479.485 3.730 50 0 biogenic JHAAHL COc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)c(C)cc2C)cc1 ZINC000003043616 194215989 /nfs/dbraw/zinc/21/59/89/194215989.db2.gz ZOQJSNFRKTZPHR-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000033253686 527621551 /nfs/dbraw/zinc/62/15/51/527621551.db2.gz XAIIQPVTEQDDIS-UHFFFAOYSA-N -2 3 470.595 3.913 50 0 JHAAHL Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000002105579 554046121 /nfs/dbraw/zinc/04/61/21/554046121.db2.gz SKIXMKPOJFKOBJ-IBGZPJMESA-N -2 3 455.532 3.551 50 0 biogenic JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H]4CCCC[C@@H]4C)c(=O)c3c2)c1 ZINC000009680016 555406838 /nfs/dbraw/zinc/40/68/38/555406838.db2.gz VCILMZPEQSXJDM-YCRPNKLZSA-N -2 3 469.563 3.646 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H]4CCCC[C@@H]4C)c([O-])c3c2)c1 ZINC000009680016 555406841 /nfs/dbraw/zinc/40/68/41/555406841.db2.gz VCILMZPEQSXJDM-YCRPNKLZSA-N -2 3 469.563 3.646 50 0 JHAAHL Cc1c(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)oc2cc([O-])cc([O-])c12 ZINC000013608955 555532597 /nfs/dbraw/zinc/53/25/97/555532597.db2.gz ABOHWPYXMHVYCW-UHFFFAOYSA-N -2 3 484.552 3.989 50 0 JHAAHL COc1ccccc1CNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O ZINC000006181527 562937043 /nfs/dbraw/zinc/93/70/43/562937043.db2.gz USPJDLLARSUAAT-UHFFFAOYSA-N -2 3 491.569 3.884 50 0 aggregator JHAAHL COc1ccccc1CNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-] ZINC000006181527 562937044 /nfs/dbraw/zinc/93/70/44/562937044.db2.gz USPJDLLARSUAAT-UHFFFAOYSA-N -2 3 491.569 3.884 50 0 aggregator JHAAHL COc1ccc(CNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3c2=O)cc1 ZINC000006181533 569588823 /nfs/dbraw/zinc/58/88/23/569588823.db2.gz QLBGWCOTPFBNGI-UHFFFAOYSA-N -2 3 491.569 3.884 50 0 JHAAHL COc1ccc(CNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3c2[O-])cc1 ZINC000006181533 569588825 /nfs/dbraw/zinc/58/88/25/569588825.db2.gz QLBGWCOTPFBNGI-UHFFFAOYSA-N -2 3 491.569 3.884 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000032961995 569602730 /nfs/dbraw/zinc/60/27/30/569602730.db2.gz WOCOTKXBWAVKCI-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000033007031 569615192 /nfs/dbraw/zinc/61/51/92/569615192.db2.gz VBDFOROREJQJBO-UHFFFAOYSA-N -2 3 451.548 3.821 50 0 JHAAHL O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc([O-])cc4)coc3c21 ZINC000096115034 569733994 /nfs/dbraw/zinc/73/39/94/569733994.db2.gz BTXZVAVQZUKQOW-MRXNPFEDSA-N -3 3 474.421 3.776 50 0 biogenic JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1 ZINC000006181509 521132098 /nfs/dbraw/zinc/13/20/98/521132098.db2.gz BDTBNROAJRWSHS-UHFFFAOYSA-N -2 3 491.569 3.700 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccccc4)c([O-])c3c2)cc1 ZINC000006181509 521132106 /nfs/dbraw/zinc/13/21/06/521132106.db2.gz BDTBNROAJRWSHS-UHFFFAOYSA-N -2 3 491.569 3.700 50 0 JHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253100 521211383 /nfs/dbraw/zinc/21/13/83/521211383.db2.gz HBSYYSWQQYTDGN-UHFFFAOYSA-N -2 3 481.574 3.911 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCCC4)c(=O)c3c2)c1 ZINC000008595186 524438030 /nfs/dbraw/zinc/43/80/30/524438030.db2.gz KQPZMARBWXHFKZ-UHFFFAOYSA-N -2 3 453.564 3.962 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCCC4)c([O-])c3c2)c1 ZINC000008595186 524438039 /nfs/dbraw/zinc/43/80/39/524438039.db2.gz KQPZMARBWXHFKZ-UHFFFAOYSA-N -2 3 453.564 3.962 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1 ZINC000033253228 524805521 /nfs/dbraw/zinc/80/55/21/524805521.db2.gz HXYINJWMSUDHNH-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2c1 ZINC000006181459 525272252 /nfs/dbraw/zinc/27/22/52/525272252.db2.gz SQOOJWDENVCYIH-QRWLVFNGSA-N -2 3 453.564 3.946 50 0 JHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c([O-])c2c1 ZINC000006181459 525272258 /nfs/dbraw/zinc/27/22/58/525272258.db2.gz SQOOJWDENVCYIH-QRWLVFNGSA-N -2 3 453.564 3.946 50 0 JHAAHL CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3n2)CC1 ZINC000096355844 535742774 /nfs/dbraw/zinc/74/27/74/535742774.db2.gz RHECVNVXCMLLOB-UHFFFAOYSA-N -2 3 474.970 3.529 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009546245 555341135 /nfs/dbraw/zinc/34/11/35/555341135.db2.gz ZDSIAVOHDMLHOB-UHFFFAOYSA-N -2 3 478.523 3.639 50 0 JHAAHL CCc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3cccs3)c(=O)c2c1 ZINC000009680047 555407487 /nfs/dbraw/zinc/40/74/87/555407487.db2.gz DBGMXHIWDCCEBB-UHFFFAOYSA-N -2 3 467.572 3.883 50 0 JHAAHL CCc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NCc3cccs3)c([O-])c2c1 ZINC000009680047 555407489 /nfs/dbraw/zinc/40/74/89/555407489.db2.gz DBGMXHIWDCCEBB-UHFFFAOYSA-N -2 3 467.572 3.883 50 0 JHAAHL O=C(c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2c1=O)N1CCc2ccccc21 ZINC000009833869 555536748 /nfs/dbraw/zinc/53/67/48/555536748.db2.gz PWHPLJZBBRSLEW-UHFFFAOYSA-N -2 3 463.490 3.671 50 0 JHAAHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000013042485 556249535 /nfs/dbraw/zinc/24/95/35/556249535.db2.gz FBWDBFPOLQJEHM-UHFFFAOYSA-N -2 3 460.581 3.818 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c(C)c1 ZINC000032961876 556579390 /nfs/dbraw/zinc/57/93/90/556579390.db2.gz GFTVQQDFLRLSSN-UHFFFAOYSA-N -2 3 480.590 3.832 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccc([O-])cc4oc3=O)cc2)cc1 ZINC000098086457 569750410 /nfs/dbraw/zinc/75/04/10/569750410.db2.gz UTWQWMALXKLFEK-UHFFFAOYSA-N -2 3 450.472 3.860 50 0 JHAAHL CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101148526 569784620 /nfs/dbraw/zinc/78/46/20/569784620.db2.gz WUWXFDXVBMULET-SJLPKXTDSA-N -2 3 490.741 3.708 50 0 JHAAHL CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C(=O)[O-])c1 ZINC000230018861 570043594 /nfs/dbraw/zinc/04/35/94/570043594.db2.gz MXEXZYNIEJUBQB-YTFSRNRJSA-N -2 3 458.470 3.835 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(F)ccc3F)c2)cc1 ZINC000012605553 195050885 /nfs/dbraw/zinc/05/08/85/195050885.db2.gz AAGCSXLJDMFDLU-UHFFFAOYSA-N -2 3 468.503 3.883 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1 ZINC000033253055 525332788 /nfs/dbraw/zinc/33/27/88/525332788.db2.gz PJCVLFIIRJOFAC-UHFFFAOYSA-N -2 3 469.538 3.960 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253221 525606598 /nfs/dbraw/zinc/60/65/98/525606598.db2.gz JUTVWYJIDOZCHF-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C ZINC000000660540 553739200 /nfs/dbraw/zinc/73/92/00/553739200.db2.gz CBPXBYIZWDREPA-UHFFFAOYSA-N -2 3 474.560 3.676 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000002458610 554222546 /nfs/dbraw/zinc/22/25/46/554222546.db2.gz BWECTULQVLRFBL-UHFFFAOYSA-N -2 3 452.941 3.950 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc54)c(=O)c3c2)c1 ZINC000009680029 555407293 /nfs/dbraw/zinc/40/72/93/555407293.db2.gz HZUAHYCHHTXQGL-UHFFFAOYSA-N -2 3 475.526 3.540 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc54)c([O-])c3c2)c1 ZINC000009680029 555407295 /nfs/dbraw/zinc/40/72/95/555407295.db2.gz HZUAHYCHHTXQGL-UHFFFAOYSA-N -2 3 475.526 3.540 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4cccs4)c(=O)c3c2)c1 ZINC000009680146 555407962 /nfs/dbraw/zinc/40/79/62/555407962.db2.gz VZNUCIVETSZLST-UHFFFAOYSA-N -2 3 467.572 3.937 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4cccs4)c([O-])c3c2)c1 ZINC000009680146 555407964 /nfs/dbraw/zinc/40/79/64/555407964.db2.gz VZNUCIVETSZLST-UHFFFAOYSA-N -2 3 467.572 3.937 50 0 JHAAHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4cccnc4)c(=O)c3c2)cc1 ZINC000009680194 555407975 /nfs/dbraw/zinc/40/79/75/555407975.db2.gz HPKNUXBWGPXQJF-UHFFFAOYSA-N -2 3 476.558 3.777 50 0 JHAAHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4cccnc4)c([O-])c3c2)cc1 ZINC000009680194 555407976 /nfs/dbraw/zinc/40/79/76/555407976.db2.gz HPKNUXBWGPXQJF-UHFFFAOYSA-N -2 3 476.558 3.777 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000010127134 555633505 /nfs/dbraw/zinc/63/35/05/555633505.db2.gz PUVSFWLOLUWVGF-NRFANRHFSA-N -2 3 456.545 3.857 50 0 JHAAHL CCOc1ccc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])cc1 ZINC000012548569 556026925 /nfs/dbraw/zinc/02/69/25/556026925.db2.gz DWQGINZUFFAHJH-UHFFFAOYSA-N -2 3 472.519 3.618 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2C)cc1 ZINC000012556957 556043834 /nfs/dbraw/zinc/04/38/34/556043834.db2.gz WZYSREUDAVWGGB-UHFFFAOYSA-N -2 3 450.513 3.744 50 0 JHAAHL CCSc1nc([O-])c(C(c2ccc(C(C)C)cc2)C2C(=O)N=C(SCC)NC2=O)c(=O)[n-]1 ZINC000016213557 556129251 /nfs/dbraw/zinc/12/92/51/556129251.db2.gz IBLWROPEWUOYGK-UHFFFAOYSA-N -2 3 474.608 3.792 50 0 JHAAHL CCSc1nc([O-])c(C(c2ccc(C(C)C)cc2)C2C(=O)N=C(SCC)[N-]C2=O)c(=O)[n-]1 ZINC000016213557 556129254 /nfs/dbraw/zinc/12/92/54/556129254.db2.gz IBLWROPEWUOYGK-UHFFFAOYSA-N -3 3 474.608 3.792 50 0 JHAAHL COc1cc2c(cc1OC)[C@@H](c1c(=O)[n-]c(=S)n(-c3ccc(Br)cc3)c1[O-])NCC2 ZINC000017045486 556210754 /nfs/dbraw/zinc/21/07/54/556210754.db2.gz KXNQONJPVVTKDJ-SFHVURJKSA-N -2 3 490.379 3.615 50 0 biogenic JHAAHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])cc1 ZINC000033007093 569615242 /nfs/dbraw/zinc/61/52/42/569615242.db2.gz PVLGCWUSXMHFGO-UHFFFAOYSA-N -2 3 480.590 3.860 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000063620118 569615785 /nfs/dbraw/zinc/61/57/85/569615785.db2.gz QYTFXLSVVGHYAE-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL CC(C)[C@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115251 569734214 /nfs/dbraw/zinc/73/42/14/569734214.db2.gz YHXSIKPNVNWSPQ-SFHVURJKSA-N -2 3 450.535 3.775 50 0 biogenic JHAAHL Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OCC(=O)[O-])c(C)c1 ZINC000102762617 569822561 /nfs/dbraw/zinc/82/25/61/569822561.db2.gz IVMLNIBWUHXTQG-DSNGMDLFSA-N -2 3 472.497 3.818 50 0 JHAAHL COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O ZINC000263586005 570171492 /nfs/dbraw/zinc/17/14/92/570171492.db2.gz OWMVPTMESZCOFP-QYBDOPJKSA-N -2 3 479.485 3.730 50 0 biogenic JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])C1 ZINC000033253392 521119864 /nfs/dbraw/zinc/11/98/64/521119864.db2.gz YYAIRIXJTMUXAV-QGZVFWFLSA-N -2 3 460.552 3.582 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033253219 526353981 /nfs/dbraw/zinc/35/39/81/526353981.db2.gz XCWMFTCVCLHCIP-UHFFFAOYSA-N -2 3 469.538 3.647 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253681 527620538 /nfs/dbraw/zinc/62/05/38/527620538.db2.gz UVQPEQFNZONGJW-UHFFFAOYSA-N -2 3 474.558 3.744 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253698 527620754 /nfs/dbraw/zinc/62/07/54/527620754.db2.gz XOJRIXUUPWQBJC-UHFFFAOYSA-N -2 3 492.548 3.883 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000033253700 527621683 /nfs/dbraw/zinc/62/16/83/527621683.db2.gz MXGOHKHABRQWEV-UHFFFAOYSA-N -2 3 470.595 3.913 50 0 JHAAHL O=S(=O)([N-]CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000002105549 554046115 /nfs/dbraw/zinc/04/61/15/554046115.db2.gz MYZLIKMKEUIJDZ-UHFFFAOYSA-N -2 3 492.233 3.947 50 0 JHAAHL CCCN(CCC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1=O ZINC000009680118 555407328 /nfs/dbraw/zinc/40/73/28/555407328.db2.gz WAMFATCQORXMKO-UHFFFAOYSA-N -2 3 471.579 3.990 50 0 JHAAHL CCCN(CCC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2c1[O-] ZINC000009680118 555407332 /nfs/dbraw/zinc/40/73/32/555407332.db2.gz WAMFATCQORXMKO-UHFFFAOYSA-N -2 3 471.579 3.990 50 0 JHAAHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccccc1F ZINC000019907742 555536192 /nfs/dbraw/zinc/53/61/92/555536192.db2.gz KFQMTCUDCSNISI-UHFFFAOYSA-N -2 3 452.442 3.708 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000010127135 555633452 /nfs/dbraw/zinc/63/34/52/555633452.db2.gz PUVSFWLOLUWVGF-OAQYLSRUSA-N -2 3 456.545 3.857 50 0 JHAAHL O=C([O-])c1ccc(COc2ccc(C=C3SC(=O)[N-]C3=O)cc2I)cc1 ZINC000013880980 555639330 /nfs/dbraw/zinc/63/93/30/555639330.db2.gz GTHGZUHKLOOZHS-NVNXTCNLSA-N -2 3 481.267 3.892 50 0 JHAAHL C[C@@H](CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])NC(=O)c1ccccc1 ZINC000029699461 556355527 /nfs/dbraw/zinc/35/55/27/556355527.db2.gz BMZBVJKFWMJPSA-HNNXBMFYSA-N -2 3 487.965 3.994 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)c2cc3ccccc3o2)c1 ZINC000089481793 569718658 /nfs/dbraw/zinc/71/86/58/569718658.db2.gz JBNXYPMFVWLGDH-UHFFFAOYSA-N -2 3 481.482 3.988 50 0 JHAAHL CN1CCN(C(=O)C[C@@H](c2ccncc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096115299 569734258 /nfs/dbraw/zinc/73/42/58/569734258.db2.gz OMPGSDXZZQULSS-FQEVSTJZSA-N -2 3 485.540 3.562 50 0 biogenic JHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(Cc3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036354518 569771636 /nfs/dbraw/zinc/77/16/36/569771636.db2.gz MLZNLEOBEQQPPU-AREMUKBSSA-N -2 3 484.556 3.726 50 0 JHAAHL O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc21 ZINC000036358867 569772276 /nfs/dbraw/zinc/77/22/76/569772276.db2.gz OSZAYZIPNYTVJH-OGPASDKVSA-N -2 3 465.525 3.712 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1 ZINC000058009423 195362069 /nfs/dbraw/zinc/36/20/69/195362069.db2.gz YVVZJRFOYPFAHJ-UHFFFAOYSA-N -2 3 473.595 3.649 50 0 JHAAHL Cc1ccc(CCNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3c2=O)cc1 ZINC000006181469 524334483 /nfs/dbraw/zinc/33/44/83/524334483.db2.gz UPNIZRAVCYKMSN-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL Cc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3c2[O-])cc1 ZINC000006181469 524334493 /nfs/dbraw/zinc/33/44/93/524334493.db2.gz UPNIZRAVCYKMSN-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL COc1ccccc1C(=O)Oc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1OC ZINC000008590019 524362339 /nfs/dbraw/zinc/36/23/39/524362339.db2.gz CUBDTQHQYRLINO-UHFFFAOYSA-N -2 3 464.478 3.577 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253231 525083418 /nfs/dbraw/zinc/08/34/18/525083418.db2.gz NOWWHBYWQWNBLG-UHFFFAOYSA-N -2 3 499.564 3.656 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(Cc2ccccc2F)CC1 ZINC000033253240 526354001 /nfs/dbraw/zinc/35/40/01/526354001.db2.gz XEVLTQFQJMFRGQ-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCN(c2ccccn2)CC1 ZINC000033253027 526354617 /nfs/dbraw/zinc/35/46/17/526354617.db2.gz DVLVWHHHZDUSKO-UHFFFAOYSA-N -2 3 492.601 3.786 50 0 JHAAHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1 ZINC000000916122 553846396 /nfs/dbraw/zinc/84/63/96/553846396.db2.gz UHNHFXPIJWNDEL-UHFFFAOYSA-N -2 3 474.560 3.676 50 0 JHAAHL COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])nc([O-])n(-c2cccc3ccccc32)c1=O ZINC000009014305 554865485 /nfs/dbraw/zinc/86/54/85/554865485.db2.gz KBOMDUGLPHOAOV-HSZRJFAPSA-N -2 3 454.486 3.522 50 0 biogenic JHAAHL Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)c([O-])c1 ZINC000009338392 555106661 /nfs/dbraw/zinc/10/66/61/555106661.db2.gz BFEBHUXRWFPKFH-UHFFFAOYSA-N -2 3 454.504 3.915 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000020275063 555749735 /nfs/dbraw/zinc/74/97/35/555749735.db2.gz MBIAAPGKRJHUOK-UHFFFAOYSA-N -2 3 454.476 3.575 50 0 JHAAHL O=C(CCNC(=O)c1ccsc1)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000029698120 556355172 /nfs/dbraw/zinc/35/51/72/556355172.db2.gz VOBZJSFIGGJQOC-UHFFFAOYSA-N -2 3 479.967 3.667 50 0 JHAAHL O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000031818578 556408001 /nfs/dbraw/zinc/40/80/01/556408001.db2.gz KKORHHKUHOKNLB-QHCPKHFHSA-N -2 3 484.940 3.573 50 0 JHAAHL O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000032962002 569602643 /nfs/dbraw/zinc/60/26/43/569602643.db2.gz NQFDXPBYSFAWPE-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1 ZINC000032962269 569603049 /nfs/dbraw/zinc/60/30/49/569603049.db2.gz MMVVEBFVKVIPBQ-UHFFFAOYSA-N -2 3 498.605 3.808 50 0 JHAAHL CN1CCN(C(=O)C[C@H](c2ccco2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096113843 569732885 /nfs/dbraw/zinc/73/28/85/569732885.db2.gz XSNPSHZSXOSYGK-GOSISDBHSA-N -2 3 474.513 3.760 50 0 biogenic JHAAHL O=C(C[C@@H](c1cccnc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114365 569733415 /nfs/dbraw/zinc/73/34/15/569733415.db2.gz FXHJUNNPAAJHAW-IBGZPJMESA-N -2 3 472.497 3.647 50 0 biogenic JHAAHL O=C([O-])c1ccc2c([C@H](C(=O)[O-])N3CCN(CCc4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036358139 569772109 /nfs/dbraw/zinc/77/21/09/569772109.db2.gz OVNDSAIDZJYQFT-HHHXNRCGSA-N -2 3 498.583 3.769 50 0 JHAAHL O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc21 ZINC000036358868 569772302 /nfs/dbraw/zinc/77/23/02/569772302.db2.gz OSZAYZIPNYTVJH-CIFMFNLYSA-N -2 3 465.525 3.712 50 0 JHAAHL O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(Cl)cc21 ZINC000036360922 569772738 /nfs/dbraw/zinc/77/27/38/569772738.db2.gz MTVUUUKVZHQGBN-JOCHJYFZSA-N -2 3 476.360 3.976 50 0 JHAAHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4[O-])[nH]n3)cc2)n1 ZINC000038703736 569806156 /nfs/dbraw/zinc/80/61/56/569806156.db2.gz HUDIUQPTNBPCBZ-UHFFFAOYSA-N -2 3 498.952 3.896 50 0 JHAAHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4[O-])n[nH]3)cc2)n1 ZINC000038703736 569806158 /nfs/dbraw/zinc/80/61/58/569806158.db2.gz HUDIUQPTNBPCBZ-UHFFFAOYSA-N -2 3 498.952 3.896 50 0 JHAAHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2)c1 ZINC000001050791 194010172 /nfs/dbraw/zinc/01/01/72/194010172.db2.gz PMYOGIHOAQSMIG-UHFFFAOYSA-N -2 3 473.576 3.728 50 0 JHAAHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000001149920 194049999 /nfs/dbraw/zinc/04/99/99/194049999.db2.gz FCQOSOVPWHDTBN-UHFFFAOYSA-N -2 3 479.967 3.900 50 0 JHAAHL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000009953413 195035305 /nfs/dbraw/zinc/03/53/05/195035305.db2.gz BMBYWGMQLHIIEH-UHFFFAOYSA-N -2 3 478.523 3.589 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccc(OC)cc4)c(=O)c3c2)cc1 ZINC000006181500 523996168 /nfs/dbraw/zinc/99/61/68/523996168.db2.gz CJRDPZMHXAUOPO-UHFFFAOYSA-N -2 3 491.569 3.830 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(OC)cc4)c([O-])c3c2)cc1 ZINC000006181500 523996171 /nfs/dbraw/zinc/99/61/71/523996171.db2.gz CJRDPZMHXAUOPO-UHFFFAOYSA-N -2 3 491.569 3.830 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c2)cc1 ZINC000016131246 524693301 /nfs/dbraw/zinc/69/33/01/524693301.db2.gz PECDXHHDHVLZER-UHFFFAOYSA-N -2 3 492.575 3.622 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253124 525082539 /nfs/dbraw/zinc/08/25/39/525082539.db2.gz KSRKKISILKJTDR-UHFFFAOYSA-N -2 3 485.537 3.660 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253068 525083705 /nfs/dbraw/zinc/08/37/05/525083705.db2.gz GJMULROGDPRCCZ-UHFFFAOYSA-N -2 3 497.573 3.529 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)cc1C ZINC000033253029 525606124 /nfs/dbraw/zinc/60/61/24/525606124.db2.gz SFENSYRXCQJGDZ-UHFFFAOYSA-N -2 3 466.563 3.524 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253234 525606282 /nfs/dbraw/zinc/60/62/82/525606282.db2.gz FNDWXJAZTMUECX-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033253044 526352686 /nfs/dbraw/zinc/35/26/86/526352686.db2.gz AEMALZKQCBAMAQ-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253684 527620895 /nfs/dbraw/zinc/62/08/95/527620895.db2.gz BMCJLORBFIMUJP-UHFFFAOYSA-N -2 3 456.568 3.605 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000000628882 553716429 /nfs/dbraw/zinc/71/64/29/553716429.db2.gz GVMSRCPZSDLJPT-UHFFFAOYSA-N -2 3 450.513 3.744 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000000659846 553738507 /nfs/dbraw/zinc/73/85/07/553738507.db2.gz PERMEEJRRBRDAC-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccc1F ZINC000013367219 555389491 /nfs/dbraw/zinc/38/94/91/555389491.db2.gz ZWKODWQKYQSKPX-UHFFFAOYSA-N -3 3 484.914 3.779 50 0 JHAAHL COc1cccc(C(=O)Oc2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)cc2OC)c1 ZINC000019810591 556381231 /nfs/dbraw/zinc/38/12/31/556381231.db2.gz QTOCPYLRLXHUKF-UHFFFAOYSA-N -2 3 464.478 3.577 50 0 JHAAHL CCOC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000032961613 556578097 /nfs/dbraw/zinc/57/80/97/556578097.db2.gz FHOCYNOWYLZKAY-UHFFFAOYSA-N -2 3 475.567 3.588 50 0 JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(C(=O)[O-])c1 ZINC000032961706 556578745 /nfs/dbraw/zinc/57/87/45/556578745.db2.gz UCTULWJKXWHCMW-UHFFFAOYSA-N -2 3 483.565 3.955 50 0 JHAAHL O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033006883 569615034 /nfs/dbraw/zinc/61/50/34/569615034.db2.gz STPPWBWSYCWGNH-UHFFFAOYSA-N -2 3 473.501 3.790 50 0 JHAAHL CN1CCN(C(=O)C[C@@H](c2ccco2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096113842 569732844 /nfs/dbraw/zinc/73/28/44/569732844.db2.gz XSNPSHZSXOSYGK-SFHVURJKSA-N -2 3 474.513 3.760 50 0 biogenic JHAAHL O=C(C[C@@H](c1ccncc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115194 569734347 /nfs/dbraw/zinc/73/43/47/569734347.db2.gz RLYAVTMMLJUKTQ-IBGZPJMESA-N -2 3 472.497 3.647 50 0 biogenic JHAAHL O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000036366999 569772956 /nfs/dbraw/zinc/77/29/56/569772956.db2.gz BONYXCABKCLINY-PTGVWUEVSA-N -2 3 467.953 3.836 50 0 JHAAHL Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)n1 ZINC000001141362 194044852 /nfs/dbraw/zinc/04/48/52/194044852.db2.gz BKTXUPZSPPEVHJ-UHFFFAOYSA-N -2 3 460.581 3.585 50 0 JHAAHL CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1cc(Br)c([O-])c(OC)c1)N(C)C2=O ZINC000004100656 194377667 /nfs/dbraw/zinc/37/76/67/194377667.db2.gz ODIQHYXIRGUGSQ-OALUTQOASA-N -2 3 494.338 3.956 50 0 JHAAHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(C)ccc4C)ccc3n2)CC1 ZINC000033256356 519860117 /nfs/dbraw/zinc/86/01/17/519860117.db2.gz DSSSLPXLRKYHEI-UHFFFAOYSA-N -2 3 482.606 3.883 50 0 JHAAHL CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])c1C ZINC000033253781 523632197 /nfs/dbraw/zinc/63/21/97/523632197.db2.gz OLHIHSHCWIDMQB-UHFFFAOYSA-N -2 3 456.568 3.698 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253083 525083730 /nfs/dbraw/zinc/08/37/30/525083730.db2.gz MGUSIJUCLNQLJK-UHFFFAOYSA-N -2 3 467.547 3.521 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033253217 526352570 /nfs/dbraw/zinc/35/25/70/526352570.db2.gz GDHPPKOVXSXRET-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OC ZINC000014186165 555727179 /nfs/dbraw/zinc/72/71/79/555727179.db2.gz URIUQJHTQCEVBW-UHFFFAOYSA-N -2 3 476.576 3.922 50 0 JHAAHL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000012068632 555901261 /nfs/dbraw/zinc/90/12/61/555901261.db2.gz XBLJCMWDXAJATR-UHFFFAOYSA-N -2 3 482.543 3.876 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(C)cc2OC)c1 ZINC000028846596 556342814 /nfs/dbraw/zinc/34/28/14/556342814.db2.gz UOTGMDJENNGROY-UHFFFAOYSA-N -2 3 472.519 3.536 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000032961992 569602665 /nfs/dbraw/zinc/60/26/65/569602665.db2.gz FCTJTIRWQYIDDJ-UHFFFAOYSA-N -2 3 499.564 3.656 50 0 JHAAHL O=C([O-])c1c(Br)ccc(F)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000062595198 569612781 /nfs/dbraw/zinc/61/27/81/569612781.db2.gz HQDAGSWPOCMUIQ-UHFFFAOYSA-N -2 3 465.256 3.806 50 0 JHAAHL COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(c3cccc(Cl)c3)CC1)cn2CCC(=O)[O-] ZINC000036367090 569773132 /nfs/dbraw/zinc/77/31/32/569773132.db2.gz IYAZUKIUYGTIBY-HSZRJFAPSA-N -2 3 471.941 3.726 50 0 JHAAHL Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OCC(=O)[O-])c(C)c1 ZINC000137923194 569865529 /nfs/dbraw/zinc/86/55/29/569865529.db2.gz IVMLNIBWUHXTQG-CCDWMCETSA-N -2 3 472.497 3.818 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OC ZINC000001133696 194040743 /nfs/dbraw/zinc/04/07/43/194040743.db2.gz BBCCLDKNSONTJN-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000001148356 194049276 /nfs/dbraw/zinc/04/92/76/194049276.db2.gz OMVDPCWRSRWXND-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1cc(Br)c([O-])c(OC)c1)N(C)C2=O ZINC000004100650 194377554 /nfs/dbraw/zinc/37/75/54/194377554.db2.gz ODIQHYXIRGUGSQ-RTBURBONSA-N -2 3 494.338 3.956 50 0 JHAAHL Cc1c([O-])ccc2c(COC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc(=O)oc12 ZINC000012605394 195051093 /nfs/dbraw/zinc/05/10/93/195051093.db2.gz SCKVATCKHDNJSR-UHFFFAOYSA-N -2 3 465.483 3.965 50 0 JHAAHL COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(-c4c(C)cc(C)cc4C)c1[O-])N(C)CC3)OCO2 ZINC000020757113 195216177 /nfs/dbraw/zinc/21/61/77/195216177.db2.gz BTQZGEFSBHQAAR-FQEVSTJZSA-N -2 3 481.574 3.841 50 0 biogenic JHAAHL Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(C2CCCCC2)CC1 ZINC000058009445 195362075 /nfs/dbraw/zinc/36/20/75/195362075.db2.gz MFJOMKQBLAADJB-UHFFFAOYSA-N -2 3 457.596 3.949 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)c1 ZINC000058009449 195362215 /nfs/dbraw/zinc/36/22/15/195362215.db2.gz QYBBOKFMBMOTNG-UHFFFAOYSA-N -2 3 457.596 3.949 50 0 JHAAHL CN1CCN(C(=O)C[C@H](c2ccncc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000096115300 129967495 /nfs/dbraw/zinc/96/74/95/129967495.db2.gz OMPGSDXZZQULSS-HXUWFJFHSA-N -2 3 485.540 3.562 50 0 biogenic JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])C1 ZINC000033253422 521120395 /nfs/dbraw/zinc/12/03/95/521120395.db2.gz BXPBTBLQBIYYIU-OAHLLOKOSA-N -2 3 480.970 3.927 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])C1 ZINC000033253385 521303862 /nfs/dbraw/zinc/30/38/62/521303862.db2.gz OSGXIFZFKIQHNW-KRWDZBQOSA-N -2 3 460.552 3.582 50 0 JHAAHL COc1ccc(C(=O)Oc2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)cc2OC)cc1 ZINC000008606302 523774458 /nfs/dbraw/zinc/77/44/58/523774458.db2.gz AXDVGYOZZNSGES-UHFFFAOYSA-N -2 3 464.478 3.577 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccc(C)cc4)c(=O)c3c2)c1 ZINC000006181487 526209356 /nfs/dbraw/zinc/20/93/56/526209356.db2.gz CNTMMEICFXFSRP-UHFFFAOYSA-N -2 3 491.569 3.618 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccc(C)cc4)c([O-])c3c2)c1 ZINC000006181487 526209357 /nfs/dbraw/zinc/20/93/57/526209357.db2.gz CNTMMEICFXFSRP-UHFFFAOYSA-N -2 3 491.569 3.618 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H](C)c4ccccc4)c(=O)c3c2)c1 ZINC000008595407 526210687 /nfs/dbraw/zinc/21/06/87/526210687.db2.gz RNJDWCGCIAZQQX-MRXNPFEDSA-N -2 3 477.542 3.829 50 0 JHAAHL COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)c4ccccc4)c([O-])c3c2)c1 ZINC000008595407 526210693 /nfs/dbraw/zinc/21/06/93/526210693.db2.gz RNJDWCGCIAZQQX-MRXNPFEDSA-N -2 3 477.542 3.829 50 0 JHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(Cc2ccccc2F)CC1 ZINC000033253230 526352316 /nfs/dbraw/zinc/35/23/16/526352316.db2.gz APZBOPSGOKJJJM-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL O=C([O-])[C@H](Cc1ccc(CP(=O)([O-])[O-])cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560016 554235985 /nfs/dbraw/zinc/23/59/85/554235985.db2.gz OBRYXGOVBZKHLL-QHCPKHFHSA-N -3 3 481.441 3.899 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000009540133 555332533 /nfs/dbraw/zinc/33/25/33/555332533.db2.gz YHWCQIQJHBZVEJ-UHFFFAOYSA-N -2 3 482.967 3.959 50 0 JHAAHL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009739359 555470900 /nfs/dbraw/zinc/47/09/00/555470900.db2.gz HZUYHKMNRWDJET-UHFFFAOYSA-N -2 3 454.476 3.575 50 0 JHAAHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000010060249 555612380 /nfs/dbraw/zinc/61/23/80/555612380.db2.gz WTIQSGWIKNLMJO-UHFFFAOYSA-N -2 3 473.576 3.728 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1C ZINC000032778244 556493035 /nfs/dbraw/zinc/49/30/35/556493035.db2.gz FRCSFUMDMOLGDD-UHFFFAOYSA-N -2 3 474.560 3.676 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccco4)c(=O)c3c2)cc1 ZINC000008667148 562949032 /nfs/dbraw/zinc/94/90/32/562949032.db2.gz UCBKHPIWBJUKOE-UHFFFAOYSA-N -2 3 465.531 3.757 50 0 JHAAHL CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccco4)c([O-])c3c2)cc1 ZINC000008667148 562949033 /nfs/dbraw/zinc/94/90/33/562949033.db2.gz UCBKHPIWBJUKOE-UHFFFAOYSA-N -2 3 465.531 3.757 50 0 JHAAHL Cc1cccc(CCNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3c2=O)c1 ZINC000006181449 569588900 /nfs/dbraw/zinc/58/89/00/569588900.db2.gz KUZSQONSZBMYQQ-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL Cc1cccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3c2[O-])c1 ZINC000006181449 569588902 /nfs/dbraw/zinc/58/89/02/569588902.db2.gz KUZSQONSZBMYQQ-UHFFFAOYSA-N -2 3 475.570 3.918 50 0 JHAAHL CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])C1 ZINC000032962053 569602872 /nfs/dbraw/zinc/60/28/72/569602872.db2.gz ZYSPDBCFKKMSJH-GOSISDBHSA-N -2 3 474.579 3.890 50 0 JHAAHL O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033006876 569615005 /nfs/dbraw/zinc/61/50/05/569615005.db2.gz KCAWLWAFYLYTEI-UHFFFAOYSA-N -2 3 455.511 3.651 50 0 JHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(c3ccccn3)CC1)cn2Cc1ccccc1 ZINC000036358944 569772282 /nfs/dbraw/zinc/77/22/82/569772282.db2.gz HVGZPRJECSQXHR-VWLOTQADSA-N -2 3 470.529 3.731 50 0 JHAAHL O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(Cl)cc21 ZINC000036360921 569772697 /nfs/dbraw/zinc/77/26/97/569772697.db2.gz MTVUUUKVZHQGBN-QFIPXVFZSA-N -2 3 476.360 3.976 50 0 JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000040158594 569822214 /nfs/dbraw/zinc/82/22/14/569822214.db2.gz KAIDZZOVLMITDB-JOCHJYFZSA-N -2 3 481.574 3.805 50 0 JHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(C)c1 ZINC000040161882 569822950 /nfs/dbraw/zinc/82/29/50/569822950.db2.gz HVXISGOAJAJFCB-UHFFFAOYSA-N -2 3 486.571 3.588 50 0 JHAAHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000001056999 194011185 /nfs/dbraw/zinc/01/11/85/194011185.db2.gz KBUCWQRYAYQXBT-UHFFFAOYSA-N -2 3 479.967 3.765 50 0 JHAAHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)c1 ZINC000001119550 194032652 /nfs/dbraw/zinc/03/26/52/194032652.db2.gz KGHOZLMXOPGVHG-UHFFFAOYSA-N -2 3 492.575 3.622 50 0 JHAAHL CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])C1 ZINC000033253391 521303466 /nfs/dbraw/zinc/30/34/66/521303466.db2.gz BYQKFJWWEBLORR-IBGZPJMESA-N -2 3 486.590 3.844 50 0 JHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253218 525083167 /nfs/dbraw/zinc/08/31/67/525083167.db2.gz FNEYCUZMQQMNBK-UHFFFAOYSA-N -2 3 499.564 3.656 50 0 JHAAHL Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006173451 525592370 /nfs/dbraw/zinc/59/23/70/525592370.db2.gz FWLPAYHOOHJGSL-UHFFFAOYSA-N -2 3 459.837 3.838 50 0 JHAAHL COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(-c4ccc(Cl)cc4)c1[O-])N(C)CC3)OCO2 ZINC000002152571 554070770 /nfs/dbraw/zinc/07/07/70/554070770.db2.gz YCCMLVYKIKKETK-QGZVFWFLSA-N -2 3 473.938 3.569 50 0 biogenic JHAAHL CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2O1 ZINC000008764441 554664943 /nfs/dbraw/zinc/66/49/43/554664943.db2.gz FDRVVAVFTDUHLG-AWEZNQCLSA-N -2 3 461.898 3.543 50 0 biogenic JHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000008778964 554675720 /nfs/dbraw/zinc/67/57/20/554675720.db2.gz NBUAJDWFMLMVEY-KRWDZBQOSA-N -2 3 495.557 3.731 50 0 JHAAHL Cc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)c1 ZINC000009590924 555404018 /nfs/dbraw/zinc/40/40/18/555404018.db2.gz GFOCRCKRDDYWJB-UHFFFAOYSA-N -2 3 452.941 3.956 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1 ZINC000009680115 555407190 /nfs/dbraw/zinc/40/71/90/555407190.db2.gz IRGBCZNWYVOAFK-UHFFFAOYSA-N -2 3 469.563 3.790 50 0 JHAAHL CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)cc1 ZINC000009680115 555407192 /nfs/dbraw/zinc/40/71/92/555407192.db2.gz IRGBCZNWYVOAFK-UHFFFAOYSA-N -2 3 469.563 3.790 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccccc4)c(=O)c3c2)c1 ZINC000009680159 555407656 /nfs/dbraw/zinc/40/76/56/555407656.db2.gz XIMWGPAWODMLDG-UHFFFAOYSA-N -2 3 461.543 3.876 50 0 JHAAHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4)c([O-])c3c2)c1 ZINC000009680159 555407659 /nfs/dbraw/zinc/40/76/59/555407659.db2.gz XIMWGPAWODMLDG-UHFFFAOYSA-N -2 3 461.543 3.876 50 0 JHAAHL COc1ccc([O-])c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 ZINC000012560595 556052634 /nfs/dbraw/zinc/05/26/34/556052634.db2.gz ATVGSGPKPYZJCN-UHFFFAOYSA-N -2 3 470.503 3.615 50 0 JHAAHL O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000031817686 556407711 /nfs/dbraw/zinc/40/77/11/556407711.db2.gz GLONQFTWNGOHQU-HSZRJFAPSA-N -2 3 484.940 3.573 50 0 JHAAHL O=C([O-])c1ccc(N2CCN(C3CCCCC3)CC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000032961821 556579105 /nfs/dbraw/zinc/57/91/05/556579105.db2.gz SVZNPVDWLQKRAO-UHFFFAOYSA-N -2 3 479.549 3.919 50 0 JHAAHL O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032961991 569602662 /nfs/dbraw/zinc/60/26/62/569602662.db2.gz QPEMVGWTZOEQJO-UHFFFAOYSA-N -2 3 487.528 3.786 50 0 JHAAHL O=C([O-])c1ccc2c([C@@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)cn(Cc3ccccc3)c2c1 ZINC000036352779 569771294 /nfs/dbraw/zinc/77/12/94/569771294.db2.gz YISSDEHMXCIEHP-VWLOTQADSA-N -2 3 470.529 3.731 50 0 JHAAHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S ZINC000101456022 569798188 /nfs/dbraw/zinc/79/81/88/569798188.db2.gz KYJIUAGIHOGRLL-OAHLLOKOSA-N -2 3 465.373 3.872 50 0 JHAAHL