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/C(=C/c1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000025126309 957159835 /nfs/dbraw/zinc/15/98/35/957159835.db2.gz HBHSLEFEJCRDFR-LCYFTJDESA-N -2 0 323.304 3.541 20 0 DHADRL CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(Cl)c1[O-] ZINC001597594843 988434055 /nfs/dbraw/zinc/43/40/55/988434055.db2.gz XFYBHJYXXLOTTR-UHFFFAOYSA-N -2 0 319.744 3.559 20 0 DHADRL O[C@@H]1c2ccccc2CC[C@H]1Nc1cc([S-])cc([S-])c1 ZINC001169630643 1022478931 /nfs/dbraw/zinc/47/89/31/1022478931.db2.gz PCMIUDVRTMVZIU-HZPDHXFCSA-N -2 0 303.452 3.724 20 0 DHADRL O[C@H]1c2ccccc2CC[C@@H]1Nc1cc([S-])cc([S-])c1 ZINC001169630641 1022479384 /nfs/dbraw/zinc/47/93/84/1022479384.db2.gz PCMIUDVRTMVZIU-HOTGVXAUSA-N -2 0 303.452 3.724 20 0 DHADRL O=C([O-])Cc1ccc(Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001174953413 1034705922 /nfs/dbraw/zinc/70/59/22/1034705922.db2.gz CYLMPVGUALYKBH-UHFFFAOYSA-N -2 0 316.407 3.956 20 0 DHADRL O=C([O-])c1cc(Nc2ccccc2C(F)F)cc(C(=O)[O-])c1 ZINC001176241511 1035230029 /nfs/dbraw/zinc/23/00/29/1035230029.db2.gz JNYGZHDCGOENKO-UHFFFAOYSA-N -2 0 307.252 3.764 20 0 DHADRL Cc1sc(/C=C/c2cccc(C(=O)[O-])c2Cl)nc1C(=O)[O-] ZINC000339115555 526865509 /nfs/dbraw/zinc/86/55/09/526865509.db2.gz YLJORYLTBBSHCV-AATRIKPKSA-N -2 0 323.757 3.672 20 0 DHADRL C[C@H](Nc1cc([S-])cc([S-])c1)[C@H](O)c1cccc(O)c1 ZINC001170678676 1027303358 /nfs/dbraw/zinc/30/33/58/1027303358.db2.gz USAFMPOCBJXMBY-VFZGTOFNSA-N -2 0 307.440 3.504 20 0 DHADRL O=C([O-])c1cc(Nc2cccc(C(F)F)c2)cc(C(=O)[O-])c1 ZINC001176238195 1035230252 /nfs/dbraw/zinc/23/02/52/1035230252.db2.gz OVSRHERWLFGTFO-UHFFFAOYSA-N -2 0 307.252 3.764 20 0 DHADRL CC(C)Oc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241205 1035230329 /nfs/dbraw/zinc/23/03/29/1035230329.db2.gz BHJSFBJPKOGDQJ-UHFFFAOYSA-N -2 0 315.325 3.614 20 0 DHADRL CCC[C@@H](C)[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234335023 1038104263 /nfs/dbraw/zinc/10/42/63/1038104263.db2.gz JMDWKJPLLDSVLE-RISCZKNCSA-N -2 0 302.307 3.752 20 0 DHADRL [S-]c1cc([S-])cc(NCc2ccc(-c3ncon3)cc2)c1 ZINC001167097822 1013000295 /nfs/dbraw/zinc/00/02/95/1013000295.db2.gz UXHPWWNXKBOOEI-UHFFFAOYSA-N -2 0 315.423 3.926 20 0 DHADRL Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241995 1035230536 /nfs/dbraw/zinc/23/05/36/1035230536.db2.gz IXMJAKIQBYQMJS-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL Cc1cc(Cl)cc(NC(=O)c2cc(F)c([O-])c(F)c2)c1O ZINC000186962921 333382436 /nfs/dbraw/zinc/38/24/36/333382436.db2.gz WONARMHCENZVKO-UHFFFAOYSA-N -2 0 313.687 3.590 20 0 DHADRL O=C(Nc1cccc(Cl)c1[O-])c1cc(F)cc(Cl)c1[O-] ZINC000436784773 338287353 /nfs/dbraw/zinc/28/73/53/338287353.db2.gz QZMASCWHSTVFFV-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001590635499 990323065 /nfs/dbraw/zinc/32/30/65/990323065.db2.gz SJDHCIKESQPLAM-UHFFFAOYSA-N -2 0 320.172 3.529 20 0 DHADRL Cc1ccc(C)c(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c1 ZINC000564100129 1028306886 /nfs/dbraw/zinc/30/68/86/1028306886.db2.gz BCYCOJYBBBZSSQ-UHFFFAOYSA-N -2 0 310.349 3.785 20 0 DHADRL O=C([O-])c1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1Cl ZINC000188757970 1028527176 /nfs/dbraw/zinc/52/71/76/1028527176.db2.gz QHKGULRLBDLPNB-GQCTYLIASA-N -2 0 320.703 3.779 20 0 DHADRL O=C([O-])c1cc(Nc2cccc3ccccc32)cc(C(=O)[O-])c1 ZINC001176242386 1035231586 /nfs/dbraw/zinc/23/15/86/1035231586.db2.gz VZUHLJRBRSRRDN-UHFFFAOYSA-N -2 0 307.305 3.980 20 0 DHADRL CCc1c(Cl)cc([N-]S(=O)(=O)C2CCC2)c([O-])c1Cl ZINC001188138005 1037824225 /nfs/dbraw/zinc/82/42/25/1037824225.db2.gz OSSCZKUKCNQVDF-UHFFFAOYSA-N -2 0 324.229 3.556 20 0 DHADRL O=C1CCC2(CCC(CNc3cc([S-])cc([S-])c3)CC2)N1 ZINC001169295436 1022348792 /nfs/dbraw/zinc/34/87/92/1022348792.db2.gz AUQZVPUXHIQLOV-UHFFFAOYSA-N -2 0 322.499 3.515 20 0 DHADRL OC[C@H](CNc1cc([S-])cc([S-])c1)Cc1ccccc1 ZINC001169905669 1022586825 /nfs/dbraw/zinc/58/68/25/1022586825.db2.gz SOUFJUDDTRYQLJ-ZDUSSCGKSA-N -2 0 305.468 3.527 20 0 DHADRL O=C([O-])c1cc(Nc2cccc(Cl)c2F)cc(C(=O)[O-])c1 ZINC001176241677 1035230410 /nfs/dbraw/zinc/23/04/10/1035230410.db2.gz REDKVACLPWKUQQ-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL O=C([O-])c1ccc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)cc1 ZINC001176711233 1035325570 /nfs/dbraw/zinc/32/55/70/1035325570.db2.gz MTMYPMOZZHHMJG-UHFFFAOYSA-N -2 0 317.103 3.675 20 0 DHADRL O=C(Nc1ccccc1[S-])c1cc(Cl)nc(Cl)c1[O-] ZINC001193089127 1035556279 /nfs/dbraw/zinc/55/62/79/1035556279.db2.gz GYYUCOQZSZNXOB-UHFFFAOYSA-N -2 0 315.181 3.635 20 0 DHADRL Cc1sc(/C=C/c2ccc(C(=O)[O-])cc2Cl)nc1C(=O)[O-] ZINC000352035109 336191052 /nfs/dbraw/zinc/19/10/52/336191052.db2.gz MEFSMZZOPGMZHE-SNAWJCMRSA-N -2 0 323.757 3.672 20 0 DHADRL COc1cccc2c1C[C@@H](Nc1cc([S-])cc([S-])c1)CO2 ZINC001171314859 1032345877 /nfs/dbraw/zinc/34/58/77/1032345877.db2.gz BHXFFOUMLVTHNU-LLVKDONJSA-N -2 0 319.451 3.688 20 0 DHADRL Cc1ccnc(C(C)C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238950 1035229957 /nfs/dbraw/zinc/22/99/57/1035229957.db2.gz VRXOAJJKNHEGLP-UHFFFAOYSA-N -2 0 314.341 3.653 20 0 DHADRL Cc1ccc2nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2c1 ZINC001176237571 1035230121 /nfs/dbraw/zinc/23/01/21/1035230121.db2.gz XAAXHEJYOWHRHJ-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL O=C([O-])c1cc(Nc2cc3ccccc3cc2O)cc(C(=O)[O-])c1 ZINC001176242066 1035230573 /nfs/dbraw/zinc/23/05/73/1035230573.db2.gz LZRZGNXXVSRSDH-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL Cc1c(Cl)cccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239485 1035230586 /nfs/dbraw/zinc/23/05/86/1035230586.db2.gz YIYDLYLLXPSPLZ-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(F)c(C3CC3)c2)cc(C(=O)[O-])c1 ZINC001176243955 1035231296 /nfs/dbraw/zinc/23/12/96/1035231296.db2.gz NDSFJFNKMFBAEG-UHFFFAOYSA-N -2 0 315.300 3.843 20 0 DHADRL COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1[S-] ZINC001176597118 1035299520 /nfs/dbraw/zinc/29/95/20/1035299520.db2.gz NIOWPFMEUDRTRB-RUDMXATFSA-N -2 0 301.367 3.825 20 0 DHADRL Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000833905997 606013178 /nfs/dbraw/zinc/01/31/78/606013178.db2.gz GHNBIEVCPSTGDK-UHFFFAOYSA-N -2 0 320.732 3.696 20 0 DHADRL O=C([O-])c1ccccc1-c1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000573138231 1027264918 /nfs/dbraw/zinc/26/49/18/1027264918.db2.gz HIPMQXNBRBPMEB-UHFFFAOYSA-N -2 0 310.349 3.948 20 0 DHADRL Cc1ccc2cccnc2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241792 1035230144 /nfs/dbraw/zinc/23/01/44/1035230144.db2.gz XOZSVIZNJKQMCT-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC001176238180 1035230544 /nfs/dbraw/zinc/23/05/44/1035230544.db2.gz OIYPELZNTYSIIO-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc(F)s1 ZINC000563551408 333622792 /nfs/dbraw/zinc/62/27/92/333622792.db2.gz XSJUMTHYUKZHGY-UHFFFAOYSA-N -2 0 322.357 3.896 20 0 DHADRL CCc1ccc(-c2nc(-c3ccc(O)cc3F)no2)c(O)c1 ZINC000436876794 338291271 /nfs/dbraw/zinc/29/12/71/338291271.db2.gz BGAYQWJCMDHPRF-UHFFFAOYSA-N -2 0 300.289 3.516 20 0 DHADRL O=c1c(Nc2cc([S-])cc([S-])c2)cccn1CC1CC1 ZINC001169454099 1022412276 /nfs/dbraw/zinc/41/22/76/1022412276.db2.gz BVMALKCKRBSNMP-UHFFFAOYSA-N -2 0 304.440 3.579 20 0 DHADRL CSc1ccc(F)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001205968614 1024479533 /nfs/dbraw/zinc/47/95/33/1024479533.db2.gz DZVBPGUKIWQJSZ-UHFFFAOYSA-N -2 0 306.314 3.611 20 0 DHADRL CC(C)Oc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176237474 1035230464 /nfs/dbraw/zinc/23/04/64/1035230464.db2.gz HXFGDCHMTPJBIY-UHFFFAOYSA-N -2 0 315.325 3.614 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(F)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001176241507 1035230484 /nfs/dbraw/zinc/23/04/84/1035230484.db2.gz JKGNZVGVATYAJQ-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)sn1 ZINC001176240182 1035230563 /nfs/dbraw/zinc/23/05/63/1035230563.db2.gz XABCPYNWFFPPJG-UHFFFAOYSA-N -2 0 320.370 3.581 20 0 DHADRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1Cl ZINC001176244727 1035231062 /nfs/dbraw/zinc/23/10/62/1035231062.db2.gz NRKQKAHFUOETQM-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])C/C(=C\c1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000344896320 335283582 /nfs/dbraw/zinc/28/35/82/335283582.db2.gz HBHSLEFEJCRDFR-UKTHLTGXSA-N -2 0 323.304 3.541 20 0 DHADRL CC(C)=CCC/C(C)=C/CNc1ccc(P(=O)([O-])[O-])cc1 ZINC001169135620 1022262975 /nfs/dbraw/zinc/26/29/75/1022262975.db2.gz BUSADXCEJPLMJG-SDNWHVSQSA-N -2 0 309.346 3.594 20 0 DHADRL CC(C)c1ccc(Cl)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001204694503 1024622046 /nfs/dbraw/zinc/62/20/46/1024622046.db2.gz SMPHUHFZGCBUOA-UHFFFAOYSA-N -2 0 310.717 3.933 20 0 DHADRL O=C([O-])c1cncc(Nc2cc(C(F)(F)F)ccc2[S-])c1 ZINC001175841952 1035131080 /nfs/dbraw/zinc/13/10/80/1035131080.db2.gz HFGQVDLZTRZJMJ-UHFFFAOYSA-N -2 0 314.288 3.831 20 0 DHADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)c1 ZINC001176238556 1035230056 /nfs/dbraw/zinc/23/00/56/1035230056.db2.gz QJTDUJVEDMNYFV-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])c1cc(Nc2c(F)cccc2Cl)cc(C(=O)[O-])c1 ZINC001176241642 1035230332 /nfs/dbraw/zinc/23/03/32/1035230332.db2.gz PLWBVGJMRMLUDJ-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL Cc1sc(/C=C\c2cc(C(=O)[O-])c(C)cc2C)nc1C(=O)[O-] ZINC000562288563 332568711 /nfs/dbraw/zinc/56/87/11/332568711.db2.gz JDNRVQCDVLKKTH-PLNGDYQASA-N -2 0 317.366 3.635 20 0 DHADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c([O-])cccc1Cl ZINC000769246195 1023107889 /nfs/dbraw/zinc/10/78/89/1023107889.db2.gz UCOGBQFPQYKPRA-UHFFFAOYSA-N -2 0 320.757 3.728 20 0 DHADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc2oc(=S)[n-]c2c1 ZINC000816923562 1029032879 /nfs/dbraw/zinc/03/28/79/1029032879.db2.gz LMTKIAFBEJYEGE-UHFFFAOYSA-N -2 0 320.757 3.728 20 0 DHADRL Cc1ccc2c(cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176244531 1035231593 /nfs/dbraw/zinc/23/15/93/1035231593.db2.gz LLQUKUAACWDJDF-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL O=C([O-])c1cc(Nc2c(O)ccc3ccccc32)cc(C(=O)[O-])c1 ZINC001176242555 1035231738 /nfs/dbraw/zinc/23/17/38/1035231738.db2.gz ZWBXWVIJZHZAKR-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL O=C([O-])c1cc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)cs1 ZINC001176434939 1035263411 /nfs/dbraw/zinc/26/34/11/1035263411.db2.gz FLOWPNYWICLPCY-UHFFFAOYSA-N -2 0 323.132 3.736 20 0 DHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436654349 338281663 /nfs/dbraw/zinc/28/16/63/338281663.db2.gz XBJIPVOBPTXUFD-UHFFFAOYSA-N -2 0 319.744 3.596 20 0 DHADRL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1[O-])C1=CCCCC1 ZINC000821191310 1029815472 /nfs/dbraw/zinc/81/54/72/1029815472.db2.gz MPYSYXSUJUSEST-UHFFFAOYSA-N -2 0 322.213 3.899 20 0 DHADRL O=C(Nc1cc(Cl)c(O)c2ccccc12)c1cncc(O)c1 ZINC001167444653 1014534708 /nfs/dbraw/zinc/53/47/08/1014534708.db2.gz JXTDCZPQCBWWHT-UHFFFAOYSA-N -2 0 314.728 3.552 20 0 DHADRL COc1ccc(OC)c(-c2cc([S-])cc([S-])c2)c1OC ZINC001239879705 1018749071 /nfs/dbraw/zinc/74/90/71/1018749071.db2.gz JVRRFDWMPDPUBM-UHFFFAOYSA-N -2 0 308.424 3.957 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc([O-])c(Cl)c1 ZINC000805255379 1025565832 /nfs/dbraw/zinc/56/58/32/1025565832.db2.gz PJFFBZZIJMYGKI-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL Cc1ccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)o1 ZINC000575816391 1025810901 /nfs/dbraw/zinc/81/09/01/1025810901.db2.gz PPYGOMSLMXLOOR-UHFFFAOYSA-N -2 0 302.326 3.596 20 0 DHADRL Cc1c(F)ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1Cl ZINC001176243819 1035231096 /nfs/dbraw/zinc/23/10/96/1035231096.db2.gz DSXCBWGWGXQWJK-UHFFFAOYSA-N -2 0 323.707 3.928 20 0 DHADRL Cc1cc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2o1 ZINC001176243695 1035231287 /nfs/dbraw/zinc/23/12/87/1035231287.db2.gz BUMKXKFYIZWVKD-UHFFFAOYSA-N -2 0 311.293 3.881 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(Cl)cc2[S-])cc(C(=O)[O-])c1 ZINC001176242115 1035231693 /nfs/dbraw/zinc/23/16/93/1035231693.db2.gz OPFGUYNFVWLROZ-UHFFFAOYSA-N -3 0 323.757 3.769 20 0 DHADRL CSc1ccccc1[N-]C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197113521 1036690094 /nfs/dbraw/zinc/69/00/94/1036690094.db2.gz SVQJNFHCERRZHY-UHFFFAOYSA-N -2 0 318.423 3.916 20 0 DHADRL COC(=O)c1c(F)ccc(-c2cc([S-])cc([S-])c2)c1F ZINC001204740108 1012888507 /nfs/dbraw/zinc/88/85/07/1012888507.db2.gz OIRUNDOLKWZXLV-UHFFFAOYSA-N -2 0 312.362 3.996 20 0 DHADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccsc1 ZINC000579495456 1028421935 /nfs/dbraw/zinc/42/19/35/1028421935.db2.gz BEZJYIKAOOARRZ-UHFFFAOYSA-N -2 0 304.367 3.757 20 0 DHADRL Cc1cc(F)cc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244720 1035231145 /nfs/dbraw/zinc/23/11/45/1035231145.db2.gz PJQFYRLLGDIRSR-UHFFFAOYSA-N -2 0 323.707 3.928 20 0 DHADRL O=C([O-])c1cc(Nc2c([S-])cccc2Cl)cc(C(=O)[O-])c1 ZINC001176243616 1035231164 /nfs/dbraw/zinc/23/11/64/1035231164.db2.gz ACEYSKGHLKHWPX-UHFFFAOYSA-N -3 0 323.757 3.769 20 0 DHADRL [S-]c1cc([S-])cc(NCc2ccc(OC3COC3)cc2)c1 ZINC001168468038 1035810053 /nfs/dbraw/zinc/81/00/53/1035810053.db2.gz UQHUCQSOQPRREO-UHFFFAOYSA-N -2 0 319.451 3.654 20 0 DHADRL O=C([O-])c1ccnc(/C=C/c2cc(Cl)c([O-])cc2Cl)c1 ZINC000436853140 338289957 /nfs/dbraw/zinc/28/99/57/338289957.db2.gz BXCFJYSKRBCHHO-OWOJBTEDSA-N -2 0 310.136 3.963 20 0 DHADRL Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1NC(=O)[O-] ZINC000830234092 603613552 /nfs/dbraw/zinc/61/35/52/603613552.db2.gz MWGCXMMRZYWXJW-UHFFFAOYSA-N -2 0 320.732 3.696 20 0 DHADRL O=C([O-])Nc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000833288791 604944073 /nfs/dbraw/zinc/94/40/73/604944073.db2.gz MLAONDYFVOKNEF-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL OC[C@@H](CNc1cc([S-])cc([S-])c1)Cc1ccccc1 ZINC001169905668 1022584493 /nfs/dbraw/zinc/58/44/93/1022584493.db2.gz SOUFJUDDTRYQLJ-CYBMUJFWSA-N -2 0 305.468 3.527 20 0 DHADRL N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1[O-] ZINC000188746095 1028528196 /nfs/dbraw/zinc/52/81/96/1028528196.db2.gz GGKYHGZUQPYFET-UHFFFAOYSA-N -2 0 323.135 3.529 20 0 DHADRL COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1[S-] ZINC001174497437 1034416004 /nfs/dbraw/zinc/41/60/04/1034416004.db2.gz RNMVVESCUGTLFG-VMPITWQZSA-N -2 0 301.367 3.825 20 0 DHADRL O=C([O-])c1ccc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)s1 ZINC001174804734 1034631908 /nfs/dbraw/zinc/63/19/08/1034631908.db2.gz AYQJLXHUIQYHGW-UHFFFAOYSA-N -2 0 323.132 3.736 20 0 DHADRL CCCOc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241485 1035230035 /nfs/dbraw/zinc/23/00/35/1035230035.db2.gz IRCOGWHVCREHIW-UHFFFAOYSA-N -2 0 315.325 3.615 20 0 DHADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2ccccc12 ZINC001176237013 1035230239 /nfs/dbraw/zinc/23/02/39/1035230239.db2.gz SMJZGBAHELEOGQ-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL Cc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241632 1035230454 /nfs/dbraw/zinc/23/04/54/1035230454.db2.gz OUSADJNKFYLSPM-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])c1cc(Nc2cccc3cc(O)ccc32)cc(C(=O)[O-])c1 ZINC001176244058 1035231270 /nfs/dbraw/zinc/23/12/70/1035231270.db2.gz FQNQNVGYFMHAQQ-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL Cc1sc(/C=C/c2cc(C(=O)[O-])c(C)cc2C)nc1C(=O)[O-] ZINC000562288564 332568720 /nfs/dbraw/zinc/56/87/20/332568720.db2.gz JDNRVQCDVLKKTH-SNAWJCMRSA-N -2 0 317.366 3.635 20 0 DHADRL O=C([O-])C/C(=C\c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000358246562 598201611 /nfs/dbraw/zinc/20/16/11/598201611.db2.gz IKCYZZSCEBXDJI-UKTHLTGXSA-N -2 0 323.304 3.541 20 0 DHADRL Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c([O-])cccc1Cl ZINC000833906303 605660608 /nfs/dbraw/zinc/66/06/08/605660608.db2.gz OGQUYDIWLGVBHE-UHFFFAOYSA-N -2 0 320.732 3.696 20 0 DHADRL COC(=O)Cc1ccc(CNc2cc([S-])cc([S-])c2)cc1 ZINC001168568938 1019236239 /nfs/dbraw/zinc/23/62/39/1019236239.db2.gz ZTTCGTWUIKAENX-UHFFFAOYSA-N -2 0 319.451 3.592 20 0 DHADRL Cc1cccn2cc(CNc3cc([S-])cc([S-])c3)nc12 ZINC001169022753 1022226158 /nfs/dbraw/zinc/22/61/58/1022226158.db2.gz LLFCALYQQYOEMB-UHFFFAOYSA-N -2 0 301.440 3.832 20 0 DHADRL O[C@H]1c2ccccc2CC[C@H]1Nc1cc([S-])cc([S-])c1 ZINC001169630639 1022479119 /nfs/dbraw/zinc/47/91/19/1022479119.db2.gz PCMIUDVRTMVZIU-CVEARBPZSA-N -2 0 303.452 3.724 20 0 DHADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(Cl)c2[O-])cc1 ZINC000740812141 1024811482 /nfs/dbraw/zinc/81/14/82/1024811482.db2.gz UMSIQLVRBDNNCY-MDZDMXLPSA-N -2 0 323.801 3.767 20 0 DHADRL Cc1cccc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238667 1035230046 /nfs/dbraw/zinc/23/00/46/1035230046.db2.gz SHASKWJJOXTPQI-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2cccnc12 ZINC001176241680 1035230386 /nfs/dbraw/zinc/23/03/86/1035230386.db2.gz RHMUGWOTQKTUNF-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL CC(C)(CCC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000911153618 1037068285 /nfs/dbraw/zinc/06/82/85/1037068285.db2.gz HDAHJRGFILMQIU-UHFFFAOYSA-N -2 0 320.172 3.529 20 0 DHADRL O=S(=O)(CC1CCCC1)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001191529435 1038515356 /nfs/dbraw/zinc/51/53/56/1038515356.db2.gz GPUISZICMHIENS-UHFFFAOYSA-N -2 0 324.229 3.631 20 0 DHADRL O=C([O-])c1ccccc1-c1cccc(C2(C(=O)[O-])CCCC2)c1 ZINC000574651164 1039756456 /nfs/dbraw/zinc/75/64/56/1039756456.db2.gz CYGPTJKKKNECAU-UHFFFAOYSA-N -2 0 310.349 3.948 20 0 DHADRL COc1cc(-c2nc3cccc(C)c3c(=O)[nH]2)cc(Cl)c1O ZINC000436594600 338279143 /nfs/dbraw/zinc/27/91/43/338279143.db2.gz HTCGYBNPSOYKMM-UHFFFAOYSA-N -2 0 316.744 3.678 20 0 DHADRL O=C([O-])Nc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1F ZINC000740696335 603309761 /nfs/dbraw/zinc/30/97/61/603309761.db2.gz AYKCAWGHIHLIEC-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL O=C([O-])Nc1ccc(F)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000834261721 605647896 /nfs/dbraw/zinc/64/78/96/605647896.db2.gz NNGGBMVONHTOTD-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000670369987 1019619243 /nfs/dbraw/zinc/61/92/43/1019619243.db2.gz PGTNEVSOMAFNLK-DHZHZOJOSA-N -2 0 318.332 3.718 20 0 DHADRL [S-]c1cc([S-])cc(NCc2cccnc2N2CCCC2)c1 ZINC001169859715 1022574243 /nfs/dbraw/zinc/57/42/43/1022574243.db2.gz PAWKZTODSSBGDD-UHFFFAOYSA-N -2 0 317.483 3.871 20 0 DHADRL O=C([O-])c1cc(Nc2cc3cccccc-3c2)cc(C(=O)[O-])c1 ZINC001176238569 1035230107 /nfs/dbraw/zinc/23/01/07/1035230107.db2.gz JDDRBWOXPPMFCF-UHFFFAOYSA-N -2 0 307.305 3.931 20 0 DHADRL Cc1c(Cl)cc([N-]S(=O)(=O)CC2CCC2)c([O-])c1Cl ZINC001193514103 1035657786 /nfs/dbraw/zinc/65/77/86/1035657786.db2.gz FPTUBFUCIRMNIR-UHFFFAOYSA-N -2 0 324.229 3.549 20 0 DHADRL Cc1ccsc1-c1ccc(C(=O)[O-])c(C2(C(=O)[O-])CC2)c1 ZINC000520254263 1036086411 /nfs/dbraw/zinc/08/64/11/1036086411.db2.gz QPEPWEZFVBZIGG-UHFFFAOYSA-N -2 0 302.351 3.538 20 0 DHADRL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC001597464372 987897266 /nfs/dbraw/zinc/89/72/66/987897266.db2.gz IPZCZDUVAFAYQB-UHFFFAOYSA-N -2 0 319.744 3.559 20 0 DHADRL O[C@@H]1c2ccccc2CC[C@@H]1Nc1cc([S-])cc([S-])c1 ZINC001169630645 1022479687 /nfs/dbraw/zinc/47/96/87/1022479687.db2.gz PCMIUDVRTMVZIU-JKSUJKDBSA-N -2 0 303.452 3.724 20 0 DHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000812707046 1027368943 /nfs/dbraw/zinc/36/89/43/1027368943.db2.gz GDUXSLWEMYHHRZ-UHFFFAOYSA-N -2 0 319.744 3.596 20 0 DHADRL Cc1cc(Cl)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237608 1035230015 /nfs/dbraw/zinc/23/00/15/1035230015.db2.gz KOINSZWMOVLBBN-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])c1cc(Nc2cccc(F)c2Cl)cc(C(=O)[O-])c1 ZINC001176241645 1035230451 /nfs/dbraw/zinc/23/04/51/1035230451.db2.gz PVVHOADJVQDEIH-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(O)c3ccccc23)cc(C(=O)[O-])c1 ZINC001176241865 1035230601 /nfs/dbraw/zinc/23/06/01/1035230601.db2.gz BPHALEYWEOVATI-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL Cc1cc(F)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC001176244069 1035231043 /nfs/dbraw/zinc/23/10/43/1035231043.db2.gz GFKRCGBCBIZGNB-UHFFFAOYSA-N -2 0 323.707 3.928 20 0 DHADRL Nc1cccc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c12 ZINC001176242513 1035231540 /nfs/dbraw/zinc/23/15/40/1035231540.db2.gz YUCFVEPHIOXXJN-UHFFFAOYSA-N -2 0 322.320 3.562 20 0 DHADRL O=C([O-])Nc1ccc(F)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000834260975 605993885 /nfs/dbraw/zinc/99/38/85/605993885.db2.gz FCXUREGBRYNNRN-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL CCC(CC)(C(=O)[O-])c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595047895 979262194 /nfs/dbraw/zinc/26/21/94/979262194.db2.gz OIIDCLUIYCIXDC-UHFFFAOYSA-N -2 0 319.382 3.651 20 0 DHADRL O=C([O-])c1cccc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)c1 ZINC001175327370 1034935706 /nfs/dbraw/zinc/93/57/06/1034935706.db2.gz IEFGBUKJVSDAKA-UHFFFAOYSA-N -2 0 317.103 3.675 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(-n3cccc3)cc2)cc(C(=O)[O-])c1 ZINC001176236581 1035229969 /nfs/dbraw/zinc/22/99/69/1035229969.db2.gz ADVUVGYEOLQPEX-UHFFFAOYSA-N -2 0 322.320 3.617 20 0 DHADRL O=C([O-])c1cc(Nc2ccccc2-n2cccc2)cc(C(=O)[O-])c1 ZINC001176241855 1035229975 /nfs/dbraw/zinc/22/99/75/1035229975.db2.gz BCCXICPWVXPCJE-UHFFFAOYSA-N -2 0 322.320 3.617 20 0 DHADRL Cc1ccnc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc12 ZINC001176245416 1035231007 /nfs/dbraw/zinc/23/10/07/1035231007.db2.gz YMOLDQYVEAKMKE-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL CSc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001176244352 1035231126 /nfs/dbraw/zinc/23/11/26/1035231126.db2.gz KEWZOVCPVRMMGS-UHFFFAOYSA-N -2 0 321.329 3.688 20 0 DHADRL Cc1ccnc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc12 ZINC001176245423 1035231158 /nfs/dbraw/zinc/23/11/58/1035231158.db2.gz YOPPPDYZHRMFOL-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C)c1F ZINC001176242330 1035231665 /nfs/dbraw/zinc/23/16/65/1035231665.db2.gz UZJXMFRMEUDYRB-UHFFFAOYSA-N -2 0 303.289 3.583 20 0 DHADRL [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(O)cc2F)no1 ZINC000445465576 1017867209 /nfs/dbraw/zinc/86/72/09/1017867209.db2.gz ZMNNNPPKRMHXLR-UHFFFAOYSA-N -2 0 306.680 3.607 20 0 DHADRL CC(C)Oc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241706 1035230002 /nfs/dbraw/zinc/23/00/02/1035230002.db2.gz SELXEHSIXSQEDW-UHFFFAOYSA-N -2 0 315.325 3.614 20 0 DHADRL CC(C)(C)c1cncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176237624 1035230102 /nfs/dbraw/zinc/23/01/02/1035230102.db2.gz LCRNEFZXOJCVFO-UHFFFAOYSA-N -2 0 314.341 3.519 20 0 DHADRL O=C([O-])c1cc(Nc2ccc3ccc(O)cc3c2)cc(C(=O)[O-])c1 ZINC001176241661 1035230235 /nfs/dbraw/zinc/23/02/35/1035230235.db2.gz QOPODIDXMGNODL-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL CNc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176243800 1035231025 /nfs/dbraw/zinc/23/10/25/1035231025.db2.gz DQXLIGGVJQEEKD-UHFFFAOYSA-N -2 0 320.732 3.522 20 0 DHADRL O=S(=O)([N-]c1ccc([S-])cc1)c1cc2ccccc2s1 ZINC001185459082 1037147765 /nfs/dbraw/zinc/14/77/65/1037147765.db2.gz DOLRGWNXVBIZCH-UHFFFAOYSA-N -2 0 321.448 3.991 20 0 DHADRL O=C([O-])Nc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000740013009 600091098 /nfs/dbraw/zinc/09/10/98/600091098.db2.gz VCLJUTHAWGRQBU-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1cccs1 ZINC000566495028 1028733659 /nfs/dbraw/zinc/73/36/59/1028733659.db2.gz RSXOLESVHPEAAN-UHFFFAOYSA-N -2 0 304.367 3.757 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(F)cc2Cl)cc(C(=O)[O-])c1 ZINC001176241308 1035230323 /nfs/dbraw/zinc/23/03/23/1035230323.db2.gz FYEWTZQDBXNBCX-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(Cl)c(F)c2)cc(C(=O)[O-])c1 ZINC001176241186 1035230348 /nfs/dbraw/zinc/23/03/48/1035230348.db2.gz BABQBFHJUYIVHO-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL Cc1cc(F)cc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245097 1035231227 /nfs/dbraw/zinc/23/12/27/1035231227.db2.gz UCQSIZWNCPHYBK-UHFFFAOYSA-N -2 0 303.289 3.583 20 0 DHADRL Cc1cc(Cl)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176242111 1035231573 /nfs/dbraw/zinc/23/15/73/1035231573.db2.gz OKUWYPHLUODISL-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL O=C([O-])c1cccc(C=CC(=O)c2sccc2[O-])c1Cl ZINC000193149876 1020388149 /nfs/dbraw/zinc/38/81/49/1020388149.db2.gz AQXSJFFHYGEMIL-SNAWJCMRSA-N -2 0 308.742 3.701 20 0 DHADRL Fc1cc(CNc2cc([S-])cc([S-])c2)c2c(c1)COCO2 ZINC001169097276 1022243508 /nfs/dbraw/zinc/24/35/08/1022243508.db2.gz MRJBWZHBPBREIE-UHFFFAOYSA-N -2 0 323.414 3.882 20 0 DHADRL COc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1[S-] ZINC001203332965 1026666959 /nfs/dbraw/zinc/66/69/59/1026666959.db2.gz UXDQVYHGXMEXCF-UHFFFAOYSA-N -2 0 311.309 3.704 20 0 DHADRL Cc1cccc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc12 ZINC001176236178 1035229463 /nfs/dbraw/zinc/22/94/63/1035229463.db2.gz FYXCJMHJILQVMV-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL CSc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241705 1035230157 /nfs/dbraw/zinc/23/01/57/1035230157.db2.gz SDZXEGYKZLRLMH-UHFFFAOYSA-N -2 0 303.339 3.549 20 0 DHADRL O=C([O-])c1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000006430616 181340606 /nfs/dbraw/zinc/34/06/06/181340606.db2.gz HXFNSJSXJUIGHA-JXMROGBWSA-N -2 0 319.316 3.802 20 0 DHADRL O=C(Nc1cccc(Cl)c1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000189375522 334893386 /nfs/dbraw/zinc/89/33/86/334893386.db2.gz DOYBAQOUEAOVPZ-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL Cc1sc(/C=C\c2ccc(C(=O)[O-])cc2Cl)nc1C(=O)[O-] ZINC000352035108 336191053 /nfs/dbraw/zinc/19/10/53/336191053.db2.gz MEFSMZZOPGMZHE-PLNGDYQASA-N -2 0 323.757 3.672 20 0 DHADRL Cc1cc(C)c(Nc2cccc([S-])c2)c(S(=O)(=O)[O-])c1 ZINC001210950682 1014095632 /nfs/dbraw/zinc/09/56/32/1014095632.db2.gz SGIJYGRTCSCZLL-UHFFFAOYSA-N -2 0 309.412 3.582 20 0 DHADRL O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2[O-])c1Cl ZINC000188800590 1015036249 /nfs/dbraw/zinc/03/62/49/1015036249.db2.gz VEQMANIYZBCELY-CMDGGOBGSA-N -2 0 302.713 3.640 20 0 DHADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc(Cl)c1[O-] ZINC000771502481 1023445539 /nfs/dbraw/zinc/44/55/39/1023445539.db2.gz AUUNVUURMAAQLR-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C([O-])c1cc(Nc2cc(Cl)ccc2[S-])cc(C(=O)[O-])c1 ZINC001176241565 1035230197 /nfs/dbraw/zinc/23/01/97/1035230197.db2.gz LZRWVMHIMLXLDA-UHFFFAOYSA-N -3 0 323.757 3.769 20 0 DHADRL CC(C)Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1 ZINC000448078337 1018567283 /nfs/dbraw/zinc/56/72/83/1018567283.db2.gz RRJZDIZPVXLMED-UHFFFAOYSA-N -2 0 323.389 3.531 20 0 DHADRL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000670369988 1019620787 /nfs/dbraw/zinc/62/07/87/1019620787.db2.gz PGTNEVSOMAFNLK-FLIBITNWSA-N -2 0 318.332 3.718 20 0 DHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000812708051 1027377559 /nfs/dbraw/zinc/37/75/59/1027377559.db2.gz JYKXDOGADQQUMO-UHFFFAOYSA-N -2 0 319.744 3.596 20 0 DHADRL CCOc1ccc(C)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241674 1035230557 /nfs/dbraw/zinc/23/05/57/1035230557.db2.gz RCZPAEPLPPKRGJ-UHFFFAOYSA-N -2 0 315.325 3.534 20 0 DHADRL CC(C)(C)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c(O)c1 ZINC000436510684 338274688 /nfs/dbraw/zinc/27/46/88/338274688.db2.gz HORXEGVYYZJLSA-UHFFFAOYSA-N -2 0 321.323 3.926 20 0 DHADRL O=C([O-])c1cccc2oc(/C=C/c3cc(F)c([O-])c(F)c3)nc21 ZINC000439281246 338366022 /nfs/dbraw/zinc/36/60/22/338366022.db2.gz WMADULQUKWJRIU-SNAWJCMRSA-N -2 0 317.247 3.680 20 0 DHADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232388921 960264477 /nfs/dbraw/zinc/26/44/77/960264477.db2.gz CNCXYNHFSQIHRK-UHFFFAOYSA-N -2 0 320.172 3.529 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c([O-])cccc1F ZINC000185870268 1017463798 /nfs/dbraw/zinc/46/37/98/1017463798.db2.gz BFXNYQGRYSXZRL-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc(Cl)c2[O-])cc1 ZINC000740812140 1020953165 /nfs/dbraw/zinc/95/31/65/1020953165.db2.gz UMSIQLVRBDNNCY-KTKRTIGZSA-N -2 0 323.801 3.767 20 0 DHADRL Cc1sc(/C=C\c2cccc(C(=O)[O-])c2Cl)nc1C(=O)[O-] ZINC000339115556 1024567546 /nfs/dbraw/zinc/56/75/46/1024567546.db2.gz YLJORYLTBBSHCV-WAYWQWQTSA-N -2 0 323.757 3.672 20 0 DHADRL O=C([O-])c1cc(Nc2cc3c(s2)CCCC3)cc(C(=O)[O-])c1 ZINC001176238710 1035230091 /nfs/dbraw/zinc/23/00/91/1035230091.db2.gz SXHPNWJWWPLPAN-UHFFFAOYSA-N -2 0 317.366 3.767 20 0 DHADRL O=C([O-])c1cc(Nc2cc(Cl)ccc2F)cc(C(=O)[O-])c1 ZINC001176241638 1035230436 /nfs/dbraw/zinc/23/04/36/1035230436.db2.gz PEBTZAAELGPWNJ-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL O=C([O-])c1cc(Nc2ccc(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001176241703 1035230490 /nfs/dbraw/zinc/23/04/90/1035230490.db2.gz SCBBVECCCXKAHN-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1[O-] ZINC001597463486 987892949 /nfs/dbraw/zinc/89/29/49/987892949.db2.gz FXSDHMJJFTVUIX-UHFFFAOYSA-N -2 0 319.744 3.559 20 0 DHADRL O=C([O-])c1cnc(C=Cc2cc(-c3ccccc3)cs2)[nH]c1=O ZINC000670369975 1019620696 /nfs/dbraw/zinc/62/06/96/1019620696.db2.gz OMMMFRNQDOUAFC-SREVYHEPSA-N -2 0 324.361 3.779 20 0 DHADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c([O-])cccc1Cl ZINC000771510480 1023446572 /nfs/dbraw/zinc/44/65/72/1023446572.db2.gz KECZHRVICGRYKD-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL CCC[C@H](C)[C@@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234335024 1038104378 /nfs/dbraw/zinc/10/43/78/1038104378.db2.gz JMDWKJPLLDSVLE-SMDDNHRTSA-N -2 0 302.307 3.752 20 0 DHADRL Cc1cocc1-c1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000516315169 1040394622 /nfs/dbraw/zinc/39/46/22/1040394622.db2.gz IVQFDNQNZZAKSG-UHFFFAOYSA-N -2 0 302.326 3.596 20 0 DHADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc2[n-]c(=S)oc2c1 ZINC000179722501 1020436659 /nfs/dbraw/zinc/43/66/59/1020436659.db2.gz SGNMDQJSSBELKT-UHFFFAOYSA-N -2 0 320.757 3.728 20 0 DHADRL COc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1[S-] ZINC001212515542 1020593582 /nfs/dbraw/zinc/59/35/82/1020593582.db2.gz BOCJGIGMVAADTB-UHFFFAOYSA-N -2 0 311.309 3.704 20 0 DHADRL CCC[C@H](C)[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234335022 1038103411 /nfs/dbraw/zinc/10/34/11/1038103411.db2.gz JMDWKJPLLDSVLE-FZMZJTMJSA-N -2 0 302.307 3.752 20 0 DHADRL Cc1cccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c1C ZINC000566493565 332454937 /nfs/dbraw/zinc/45/49/37/332454937.db2.gz AAGTZFORKXCPIP-UHFFFAOYSA-N -2 0 310.349 3.785 20 0 DHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436652622 338281647 /nfs/dbraw/zinc/28/16/47/338281647.db2.gz OYTUTFSOCSHKKI-UHFFFAOYSA-N -2 0 319.744 3.596 20 0 DHADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc([O-])c(Cl)c1 ZINC000436910549 338292987 /nfs/dbraw/zinc/29/29/87/338292987.db2.gz RMNJQJDTHGDETB-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C([O-])C/C(=C/c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000358246561 598201625 /nfs/dbraw/zinc/20/16/25/598201625.db2.gz IKCYZZSCEBXDJI-LCYFTJDESA-N -2 0 323.304 3.541 20 0 DHADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)cc1F ZINC001176242045 1035230069 /nfs/dbraw/zinc/23/00/69/1035230069.db2.gz LBFSFMKGWKBHTR-UHFFFAOYSA-N -2 0 323.707 3.928 20 0 DHADRL CCC[C@@H](C)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)on1 ZINC001176236465 1035230150 /nfs/dbraw/zinc/23/01/50/1035230150.db2.gz MUBYIMNJSAUDME-SECBINFHSA-N -2 0 318.329 3.718 20 0 DHADRL CCC[C@H](C)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)on1 ZINC001176236467 1035230479 /nfs/dbraw/zinc/23/04/79/1035230479.db2.gz MUBYIMNJSAUDME-VIFPVBQESA-N -2 0 318.329 3.718 20 0 DHADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)cc1Cl ZINC001176243746 1035231507 /nfs/dbraw/zinc/23/15/07/1035231507.db2.gz CQWDEEUUJBKOBP-UHFFFAOYSA-N -2 0 323.707 3.928 20 0 DHADRL COc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1[S-] ZINC001176589961 1035291534 /nfs/dbraw/zinc/29/15/34/1035291534.db2.gz JSYKRYXOQWAYGR-UHFFFAOYSA-N -2 0 315.394 3.844 20 0 DHADRL O=C([O-])c1ccc(NC(=S)Nc2cccc(Cl)c2[O-])cc1 ZINC001197112740 1036691342 /nfs/dbraw/zinc/69/13/42/1036691342.db2.gz IHVWXODTVSOTGU-UHFFFAOYSA-N -2 0 322.773 3.553 20 0 DHADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc([O-])c(Cl)c1 ZINC000163628940 1037650435 /nfs/dbraw/zinc/65/04/35/1037650435.db2.gz KUPGKEIFKJZTIT-UHFFFAOYSA-N -2 0 320.757 3.728 20 0 DHADRL CCCc1cc(=O)[nH]c(C(=Cc2cc(F)c(O)c(F)c2)CC)n1 ZINC000193619541 333304851 /nfs/dbraw/zinc/30/48/51/333304851.db2.gz CFXBGDNFUDAYGN-WDZFZDKYSA-N -2 0 320.339 3.657 20 0 DHADRL O=C([O-])Nc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000833290426 601388052 /nfs/dbraw/zinc/38/80/52/601388052.db2.gz SKRBFKPWPQOBKG-UHFFFAOYSA-N -2 0 324.695 3.527 20 0 DHADRL CSc1ccc(Cl)cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243610152 1025218864 /nfs/dbraw/zinc/21/88/64/1025218864.db2.gz SMWZAKJJWFHLOH-UHFFFAOYSA-N -2 0 314.730 3.532 20 0 DHADRL Cc1cccc(C2(Nc3cc([S-])cc([S-])c3)COC2)c1 ZINC001168474928 1036169067 /nfs/dbraw/zinc/16/90/67/1036169067.db2.gz RMOHDIYUOOVQOH-UHFFFAOYSA-N -2 0 303.452 3.910 20 0 DHADRL O=C(Nc1cc(F)ccc1O)c1c([O-])cc(Cl)cc1Cl ZINC000436600742 338278649 /nfs/dbraw/zinc/27/86/49/338278649.db2.gz HZLZRZAEBMZGEG-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1[O-] ZINC000144114507 1017945975 /nfs/dbraw/zinc/94/59/75/1017945975.db2.gz CDEJYEBZPUTECP-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C([O-])c1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000035045169 1019262627 /nfs/dbraw/zinc/26/26/27/1019262627.db2.gz HXFNSJSXJUIGHA-YFHOEESVSA-N -2 0 319.316 3.802 20 0 DHADRL CCC(CC)(C(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000653284821 1021205130 /nfs/dbraw/zinc/20/51/30/1021205130.db2.gz VHEJSFYBRYSDFW-UHFFFAOYSA-N -2 0 320.172 3.529 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1c([O-])cccc1Cl ZINC000805260436 1025568520 /nfs/dbraw/zinc/56/85/20/1025568520.db2.gz HDRBGGVFSAFZDJ-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(Cl)c1[O-] ZINC000805256913 1025568748 /nfs/dbraw/zinc/56/87/48/1025568748.db2.gz JSYZAEXJDWMFEO-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL Cc1coc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)c1 ZINC000572617954 332139070 /nfs/dbraw/zinc/13/90/70/332139070.db2.gz MUZPXYIQLHXXHQ-UHFFFAOYSA-N -2 0 302.326 3.596 20 0 DHADRL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436655156 338281591 /nfs/dbraw/zinc/28/15/91/338281591.db2.gz YZBPNFXESTZFAF-UHFFFAOYSA-N -2 0 319.744 3.596 20 0 DHADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(Cl)ccc1[O-] ZINC000805257970 1025569313 /nfs/dbraw/zinc/56/93/13/1025569313.db2.gz BBMAOEQZZNLBTR-UHFFFAOYSA-N -2 0 316.115 3.796 20 0 DHADRL O=C([O-])c1cc(Nc2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC001176241974 1035230085 /nfs/dbraw/zinc/23/00/85/1035230085.db2.gz HXEZEHITIGJQHG-UHFFFAOYSA-N -2 0 307.305 3.980 20 0 DHADRL O=C([O-])c1cc(Nc2cc(F)cc(Cl)c2)cc(C(=O)[O-])c1 ZINC001176241634 1035230112 /nfs/dbraw/zinc/23/01/12/1035230112.db2.gz PCCKBYNETMZVRC-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC001176241648 1035230317 /nfs/dbraw/zinc/23/03/17/1035230317.db2.gz PXSXUMZDABCCFY-UHFFFAOYSA-N -2 0 305.717 3.788 20 0 DHADRL CSc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241699 1035230413 /nfs/dbraw/zinc/23/04/13/1035230413.db2.gz RWRFBEJTMLQNHC-UHFFFAOYSA-N -2 0 303.339 3.549 20 0 DHADRL Cc1nc2ccccc2cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239936 1035230591 /nfs/dbraw/zinc/23/05/91/1035230591.db2.gz TWVQLQPCOYPKDE-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL Cc1cncc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c12 ZINC001176244068 1035231561 /nfs/dbraw/zinc/23/15/61/1035231561.db2.gz GESMVFYTQXYNKB-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL O=S(=O)([N-]c1ccccc1[S-])c1cc2ccccc2s1 ZINC001185455196 1037146485 /nfs/dbraw/zinc/14/64/85/1037146485.db2.gz YYDZOVNFOLEZJE-UHFFFAOYSA-N -2 0 321.448 3.991 20 0 DHADRL O=C([O-])c1ccc2oc(/C=C/c3cc(F)c([O-])c(F)c3)nc2c1 ZINC000439282697 338366011 /nfs/dbraw/zinc/36/60/11/338366011.db2.gz ZXELSULVNXLIRR-DAFODLJHSA-N -2 0 317.247 3.680 20 0 DHADRL [S-]c1cc([S-])cc(NCc2cc(Br)no2)c1 ZINC001167502775 1016121895 /nfs/dbraw/zinc/12/18/95/1016121895.db2.gz FAJOOPGQALFPMQ-UHFFFAOYSA-N -2 0 317.233 3.627 20 0 DHADRL COc1cccc2c1C[C@H](Nc1cc([S-])cc([S-])c1)CO2 ZINC001171314860 1032347219 /nfs/dbraw/zinc/34/72/19/1032347219.db2.gz BHXFFOUMLVTHNU-NSHDSACASA-N -2 0 319.451 3.688 20 0 DHADRL O=C([O-])c1cc(Nc2cc(F)ccc2Cl)cc(C(=O)[O-])c1 ZINC001176241273 1035230118 /nfs/dbraw/zinc/23/01/18/1035230118.db2.gz DERZFGUXYYLMEK-UHFFFAOYSA-N -2 0 309.680 3.619 20 0 DHADRL Cc1ccc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2n1 ZINC001176241790 1035230487 /nfs/dbraw/zinc/23/04/87/1035230487.db2.gz XJNJBRWOJIXUEL-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL CSc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241722 1035230502 /nfs/dbraw/zinc/23/05/02/1035230502.db2.gz TVJRAXCTBRQOBT-UHFFFAOYSA-N -2 0 303.339 3.549 20 0 DHADRL Cc1ccc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2n1 ZINC001176241218 1035230529 /nfs/dbraw/zinc/23/05/29/1035230529.db2.gz BOPKHWZZPGMYTD-UHFFFAOYSA-N -2 0 322.320 3.683 20 0 DHADRL Cc1c(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001176244870 1035231322 /nfs/dbraw/zinc/23/13/22/1035231322.db2.gz RVQWOLFQVMIKAT-UHFFFAOYSA-N -2 0 303.289 3.583 20 0 DHADRL O=C([O-])c1cc(Nc2cccc3ccc(O)cc32)cc(C(=O)[O-])c1 ZINC001176242333 1035231460 /nfs/dbraw/zinc/23/14/60/1035231460.db2.gz VEBUYELJZVSDGR-UHFFFAOYSA-N -2 0 323.304 3.685 20 0 DHADRL CCCOc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245171 1035231480 /nfs/dbraw/zinc/23/14/80/1035231480.db2.gz VUGUJFYMYSZJJM-UHFFFAOYSA-N -2 0 315.325 3.615 20 0 DHADRL O=C([O-])c1ccc2oc(/C=C/c3c(F)ccc(O)c3F)nc2c1 ZINC000485971639 1036062749 /nfs/dbraw/zinc/06/27/49/1036062749.db2.gz ASMJQDUXMFJSOO-QHHAFSJGSA-N -2 0 317.247 3.680 20 0 DHADRL O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001191527290 1038515226 /nfs/dbraw/zinc/51/52/26/1038515226.db2.gz YNKMCLMGGNHDEJ-UHFFFAOYSA-N -2 0 324.229 3.631 20 0 DHADRL CC(C)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183812294 337194805 /nfs/dbraw/zinc/19/48/05/337194805.db2.gz NOVKKYMYIZOBJY-UHFFFAOYSA-N -2 0 305.355 3.731 20 0 DHADRL CC(C)(C)c1csc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176236073 1035229242 /nfs/dbraw/zinc/22/92/42/1035229242.db2.gz AFMFMHKUFFLBGX-UHFFFAOYSA-N -2 0 320.370 3.581 20 0 DHADRL O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001191527241 1038515101 /nfs/dbraw/zinc/51/51/01/1038515101.db2.gz WHNBTNXRUBQCBI-UHFFFAOYSA-N -2 0 324.229 3.631 20 0 DHADRL Cc1cc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)cs1 ZINC000570867858 332831960 /nfs/dbraw/zinc/83/19/60/332831960.db2.gz WYTIRABHXQBHPT-UHFFFAOYSA-N -2 0 302.351 3.538 20 0 DHADRL O=C([O-])c1ccnc(/C=C\c2cc(Cl)c([O-])cc2Cl)c1 ZINC000436853144 338290070 /nfs/dbraw/zinc/29/00/70/338290070.db2.gz BXCFJYSKRBCHHO-UPHRSURJSA-N -2 0 310.136 3.963 20 0 DHADRL