smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000557183237 331774902 /nfs/dbraw/zinc/77/49/02/331774902.db2.gz BDTQOPSHMIILTO-GFCCVEGCSA-N -1 3 303.789 4.568 20 0 DJADHM Cc1cc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)c(C)o1 ZINC000558519916 331916552 /nfs/dbraw/zinc/91/65/52/331916552.db2.gz IVPWTLRSDUXPPG-UHFFFAOYSA-N -1 3 319.773 4.810 20 0 DJADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c([O-])c1 ZINC000518726406 332137621 /nfs/dbraw/zinc/13/76/21/332137621.db2.gz MXHWQBBMWPSBHQ-QZTJIDSGSA-N -1 3 317.388 4.596 20 0 DJADHM O=C(Nc1cccc([O-])c1F)c1ccc(C2CCCCC2)cc1 ZINC000536462642 332249366 /nfs/dbraw/zinc/24/93/66/332249366.db2.gz GNVSLZMECIEOHO-UHFFFAOYSA-N -1 3 313.372 4.831 20 0 DJADHM CC(C)CC[C@@H](NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000561949729 332520841 /nfs/dbraw/zinc/52/08/41/332520841.db2.gz FAADYBVDFUSQDG-MRXNPFEDSA-N -1 3 318.848 4.708 20 0 DJADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000562856306 332633050 /nfs/dbraw/zinc/63/30/50/332633050.db2.gz BYJVYQHHPWDRGP-HNNXBMFYSA-N -1 3 311.425 4.641 20 0 DJADHM C[C@@H](c1ccc(C(C)(C)C)cc1)[S@](=O)c1cccc([O-])c1 ZINC000487287853 333123906 /nfs/dbraw/zinc/12/39/06/333123906.db2.gz QQFALMMYGUGRHL-ZSEKCTLFSA-N -1 3 302.439 4.559 20 0 DJADHM C[C@@H](c1ccc(C(C)(C)C)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000487420261 333135142 /nfs/dbraw/zinc/13/51/42/333135142.db2.gz MDMLDXCCHDNSGR-ZSEKCTLFSA-N -1 3 302.439 4.559 20 0 DJADHM CSc1cccc(C)c1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000331960482 336154388 /nfs/dbraw/zinc/15/43/88/336154388.db2.gz QKDPSWMXWFBPGC-UHFFFAOYSA-N -1 3 316.426 4.615 20 0 DJADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1 ZINC000352176640 336199159 /nfs/dbraw/zinc/19/91/59/336199159.db2.gz RUYFHLGNXGWDEE-OAHLLOKOSA-N -1 3 324.207 4.580 20 0 DJADHM CC(C)[C@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1 ZINC000328086028 337792472 /nfs/dbraw/zinc/79/24/72/337792472.db2.gz BCBPFXJIFGBQGD-KRWDZBQOSA-N -1 3 307.796 4.672 20 0 DJADHM Cc1cccc([O-])c1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000537850452 337964647 /nfs/dbraw/zinc/96/46/47/337964647.db2.gz MZMXJKMQXMVYLZ-UHFFFAOYSA-N -1 3 324.207 4.579 20 0 DJADHM O=C(Nc1ccc2c3c(cccc31)CC2)c1cc([O-])ccc1Cl ZINC000431685411 338136332 /nfs/dbraw/zinc/13/63/32/338136332.db2.gz KYXHXPPZXMTNRT-UHFFFAOYSA-N -1 3 323.779 4.550 20 0 DJADHM O=c1ccnc(C(=CC=Cc2ccccc2)Cc2ccccc2)[n-]1 ZINC000432701856 338163519 /nfs/dbraw/zinc/16/35/19/338163519.db2.gz CNTQMWBEJFKZLB-LPDYVJGISA-N -1 3 314.388 4.522 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=CC=Cc2ccc(F)cc2)CC)n1 ZINC000435335220 338237144 /nfs/dbraw/zinc/23/71/44/338237144.db2.gz GQOMLIGCRNLLSK-VEQUYXNOSA-N -1 3 312.388 4.781 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)cc2C)CC)n1 ZINC000435336252 338237206 /nfs/dbraw/zinc/23/72/06/338237206.db2.gz NLSXJKCHIJZYKW-RAXLEYEMSA-N -1 3 300.377 4.533 20 0 DJADHM [O-]c1ccc(-c2noc(-c3ccoc3C3CC3)n2)c2ccccc12 ZINC000436607566 338279545 /nfs/dbraw/zinc/27/95/45/338279545.db2.gz GFSNXMIBFZADIQ-UHFFFAOYSA-N -1 3 318.332 4.733 20 0 DJADHM C[C@@H](c1cccs1)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436607103 338279627 /nfs/dbraw/zinc/27/96/27/338279627.db2.gz HVYWXGRLBKLWBE-NSHDSACASA-N -1 3 322.389 4.809 20 0 DJADHM [O-]c1ccc(-c2noc([C@H]3CC34CCCC4)n2)c2ccccc12 ZINC000436614370 338280127 /nfs/dbraw/zinc/28/01/27/338280127.db2.gz WUSAHXRSDCEWTB-OAHLLOKOSA-N -1 3 306.365 4.643 20 0 DJADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000436758360 338285988 /nfs/dbraw/zinc/28/59/88/338285988.db2.gz XSBSCKYIPMGPFL-HNNXBMFYSA-N -1 3 315.438 4.554 20 0 DJADHM [O-]c1ccc(-c2noc(-c3cc(F)ccc3-c3ccoc3)n2)cc1 ZINC000436874167 338291152 /nfs/dbraw/zinc/29/11/52/338291152.db2.gz ZQZOKZWHTWRSAB-UHFFFAOYSA-N -1 3 322.295 4.508 20 0 DJADHM Cc1cccc(-c2nc(-c3ccc4sccc4c3)no2)c1[O-] ZINC000436939784 338294842 /nfs/dbraw/zinc/29/48/42/338294842.db2.gz QZGDWBWCJILUFX-UHFFFAOYSA-N -1 3 308.362 4.632 20 0 DJADHM CC(C)c1ccc(-c2nc([C@H](C)c3cccs3)no2)c([O-])c1 ZINC000436942107 338294928 /nfs/dbraw/zinc/29/49/28/338294928.db2.gz UGMUYDBZBYPLBH-LLVKDONJSA-N -1 3 314.410 4.779 20 0 DJADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1ccsc1Cl ZINC000438553501 338347819 /nfs/dbraw/zinc/34/78/19/338347819.db2.gz OYPANVNSSCVPGL-UHFFFAOYSA-N -1 3 318.785 4.617 20 0 DJADHM CSc1cccc(C)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000464465455 339142758 /nfs/dbraw/zinc/14/27/58/339142758.db2.gz YMJVZRURQSGYRH-UHFFFAOYSA-N -1 3 315.316 4.581 20 0 DJADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000468925715 339274932 /nfs/dbraw/zinc/27/49/32/339274932.db2.gz JJNNBTIDBYYZJV-UHFFFAOYSA-N -1 3 323.845 4.573 20 0 DJADHM C[C@H](CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469201649 339282841 /nfs/dbraw/zinc/28/28/41/339282841.db2.gz LYVKXPSYMPNZRB-HZPDHXFCSA-N -1 3 323.436 4.816 20 0 DJADHM Cc1ccc(Cl)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469207958 339282964 /nfs/dbraw/zinc/28/29/64/339282964.db2.gz CMZXTCXFHMXCGW-LBPRGKRZSA-N -1 3 315.800 4.508 20 0 DJADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000472046203 339360545 /nfs/dbraw/zinc/36/05/45/339360545.db2.gz AQZIKKKBZOHALP-LJQANCHMSA-N -1 3 317.379 4.692 20 0 DJADHM C[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)c2c([O-])cccc21 ZINC000480407353 339572411 /nfs/dbraw/zinc/57/24/11/339572411.db2.gz DUAZINDTMGKJQD-CQSZACIVSA-N -1 3 321.420 4.814 20 0 DJADHM Cc1cccc([O-])c1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000490637509 339836249 /nfs/dbraw/zinc/83/62/49/339836249.db2.gz GNWMTTMFPPGGHK-UHFFFAOYSA-N -1 3 322.408 4.732 20 0 DJADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000490730138 339838721 /nfs/dbraw/zinc/83/87/21/339838721.db2.gz FRNPXJRMOPLZDA-GFCCVEGCSA-N -1 3 317.816 4.561 20 0 DJADHM Cc1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)ccc1[O-] ZINC000499850453 340045862 /nfs/dbraw/zinc/04/58/62/340045862.db2.gz UDDMLJKUBZXJBS-UHFFFAOYSA-N -1 3 318.376 4.697 20 0 DJADHM Cc1oc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2c1C ZINC000501032421 340072801 /nfs/dbraw/zinc/07/28/01/340072801.db2.gz FDGBVWYFSSLZLP-UHFFFAOYSA-N -1 3 315.756 4.661 20 0 DJADHM Cc1scc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1C ZINC000501965231 340091633 /nfs/dbraw/zinc/09/16/33/340091633.db2.gz BKMRQILLNPLFOL-UHFFFAOYSA-N -1 3 303.427 4.620 20 0 DJADHM O=C(Nc1ccc(C2CCC2)cc1)c1cc([O-])ccc1Cl ZINC000508689397 340250646 /nfs/dbraw/zinc/25/06/46/340250646.db2.gz MEQBAYPXFSLKLD-UHFFFAOYSA-N -1 3 301.773 4.565 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)ccc2Cl)c([O-])c1 ZINC000512909216 340383675 /nfs/dbraw/zinc/38/36/75/340383675.db2.gz URXSCHQHATZKJW-UHFFFAOYSA-N -1 3 321.779 4.735 20 0 DJADHM Cc1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1[O-] ZINC000522631049 340606146 /nfs/dbraw/zinc/60/61/46/340606146.db2.gz IMVNSRONYFFXJR-UHFFFAOYSA-N -1 3 317.797 4.821 20 0 DJADHM CC(C)c1cc(C(=O)[N-]c2ncc(C3CCCCC3)s2)on1 ZINC000541998317 340992760 /nfs/dbraw/zinc/99/27/60/340992760.db2.gz NMUNBLUAZHKNQZ-UHFFFAOYSA-N -1 3 319.430 4.555 20 0 DJADHM O=C([N-]c1c(F)cccc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC000072638049 341095353 /nfs/dbraw/zinc/09/53/53/341095353.db2.gz VUNUNGDSGCQLAU-UHFFFAOYSA-N -1 3 317.266 4.616 20 0 DJADHM CC(C)CC1(C)CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000565845250 341539930 /nfs/dbraw/zinc/53/99/30/341539930.db2.gz ROCJQCIHWOBSQF-UHFFFAOYSA-N -1 3 323.864 4.686 20 0 DJADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000566694782 341565473 /nfs/dbraw/zinc/56/54/73/341565473.db2.gz CZCZVWVQOLXDDC-YNEHKIRRSA-N -1 3 307.821 4.591 20 0 DJADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3F)n2)s1 ZINC000577714254 341931115 /nfs/dbraw/zinc/93/11/15/341931115.db2.gz FIBPOGIJALBNNJ-UHFFFAOYSA-N -1 3 324.427 4.633 20 0 DJADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cccc([O-])c1Cl ZINC000336889501 525627058 /nfs/dbraw/zinc/62/70/58/525627058.db2.gz GFXOVPYCSPNAEE-AWEZNQCLSA-N -1 3 319.832 4.750 20 0 DJADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1ccccc1SC(C)C ZINC000273585201 130140208 /nfs/dbraw/zinc/14/02/08/130140208.db2.gz IVYHARZELOIQHI-UHFFFAOYSA-N -1 3 316.426 4.613 20 0 DJADHM CC(C)Sc1ccccc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000124180779 331504492 /nfs/dbraw/zinc/50/44/92/331504492.db2.gz BYUQKJLQZQMKSI-UHFFFAOYSA-N -1 3 304.415 4.551 20 0 DJADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cc2ccccc2o1 ZINC000530656899 331616006 /nfs/dbraw/zinc/61/60/06/331616006.db2.gz UKYOZURDAJPYDI-JTQLQIEISA-N -1 3 315.756 4.534 20 0 DJADHM Cc1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1Cl ZINC000533674725 331641900 /nfs/dbraw/zinc/64/19/00/331641900.db2.gz GIRBOMLXHBTAQK-UHFFFAOYSA-N -1 3 310.180 4.568 20 0 DJADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)cc1Cl ZINC000560822079 332388577 /nfs/dbraw/zinc/38/85/77/332388577.db2.gz WUZPLRYCZFDAIP-UHFFFAOYSA-N -1 3 316.571 4.605 20 0 DJADHM Cc1ccc2oc(C(=O)[N-]c3c(F)cc(Cl)cc3F)cc2c1 ZINC000561335148 332438991 /nfs/dbraw/zinc/43/89/91/332438991.db2.gz LTZNHLIUEROOLD-UHFFFAOYSA-N -1 3 321.710 4.925 20 0 DJADHM Cc1ccccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000390033449 333218070 /nfs/dbraw/zinc/21/80/70/333218070.db2.gz ZNIDCOSPOATPMG-UHFFFAOYSA-N -1 3 302.333 4.571 20 0 DJADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(-c2ccoc2)c1 ZINC000534082121 333559746 /nfs/dbraw/zinc/55/97/46/333559746.db2.gz MWLRXAXQAJKGEH-UHFFFAOYSA-N -1 3 313.740 4.558 20 0 DJADHM Cc1sc(-c2ccccc2[O-])nc1-c1ccc(F)cc1F ZINC000111049945 334300813 /nfs/dbraw/zinc/30/08/13/334300813.db2.gz USDYUXMZASVJHD-UHFFFAOYSA-N -1 3 303.333 4.769 20 0 DJADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1 ZINC000352176639 336199227 /nfs/dbraw/zinc/19/92/27/336199227.db2.gz RUYFHLGNXGWDEE-HNNXBMFYSA-N -1 3 324.207 4.580 20 0 DJADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc(C2CC2)cc1 ZINC000418110827 336688794 /nfs/dbraw/zinc/68/87/94/336688794.db2.gz CVBCDOCLHQTCBD-LBPRGKRZSA-N -1 3 301.817 4.774 20 0 DJADHM CC(C)[C@@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1 ZINC000328086029 337792477 /nfs/dbraw/zinc/79/24/77/337792477.db2.gz BCBPFXJIFGBQGD-QGZVFWFLSA-N -1 3 307.796 4.672 20 0 DJADHM [O-]c1ccc(-c2noc([C@@H](F)c3ccccc3)n2)c2ccccc12 ZINC000436618292 338280251 /nfs/dbraw/zinc/28/02/51/338280251.db2.gz NCYXASFNVTYCDE-KRWDZBQOSA-N -1 3 320.323 4.654 20 0 DJADHM Cc1sc2nc(-c3cc(O)ccc3[O-])cc(C3CC3)c2c1C ZINC000436700214 338283397 /nfs/dbraw/zinc/28/33/97/338283397.db2.gz YYIVPZWVLLHIRW-UHFFFAOYSA-N -1 3 311.406 4.869 20 0 DJADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436734704 338284640 /nfs/dbraw/zinc/28/46/40/338284640.db2.gz BRCLPHYSLJHQOC-YJBOKZPZSA-N -1 3 323.436 4.534 20 0 DJADHM Cc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)c([O-])c1 ZINC000436892039 338292148 /nfs/dbraw/zinc/29/21/48/338292148.db2.gz KCODIEPWLVFUMW-UHFFFAOYSA-N -1 3 321.163 4.724 20 0 DJADHM CC(C)c1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)c([O-])c1 ZINC000436902644 338292761 /nfs/dbraw/zinc/29/27/61/338292761.db2.gz KMTXOYFNFLJVLL-UHFFFAOYSA-N -1 3 319.364 4.714 20 0 DJADHM Cc1cccc(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)c1[O-] ZINC000436955857 338295758 /nfs/dbraw/zinc/29/57/58/338295758.db2.gz JHPRFTLOJAKOFV-UHFFFAOYSA-N -1 3 316.307 4.529 20 0 DJADHM C[C@H]1CCN(C(=O)c2ccc3sccc3c2)c2c([O-])cccc21 ZINC000468783506 339270825 /nfs/dbraw/zinc/27/08/25/339270825.db2.gz BHSOEXVGVXKPGD-LBPRGKRZSA-N -1 3 323.417 4.761 20 0 DJADHM C[C@H]1CCN(C(=O)c2csc3ccccc23)c2c([O-])cccc21 ZINC000468822754 339271820 /nfs/dbraw/zinc/27/18/20/339271820.db2.gz CIZLDAFIJXZJEM-LBPRGKRZSA-N -1 3 323.417 4.761 20 0 DJADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000469183207 339282355 /nfs/dbraw/zinc/28/23/55/339282355.db2.gz JJFDXHZBSBCWHK-GFCCVEGCSA-N -1 3 315.438 4.731 20 0 DJADHM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469270587 339284782 /nfs/dbraw/zinc/28/47/82/339284782.db2.gz LRMBBFZCUQACKR-NSHDSACASA-N -1 3 315.800 4.508 20 0 DJADHM C[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)c2c([O-])cccc21 ZINC000469336835 339286483 /nfs/dbraw/zinc/28/64/83/339286483.db2.gz SEISPXXPZSUVCS-YKXBDCQTSA-N -1 3 321.420 4.726 20 0 DJADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cc(Cl)ccc1Cl ZINC000472079887 339363050 /nfs/dbraw/zinc/36/30/50/339363050.db2.gz XSLHXOVDMJFFOX-SECBINFHSA-N -1 3 314.187 4.689 20 0 DJADHM CCSc1cccc(F)c1[N-]C(=O)c1oc(CC)cc1C ZINC000484925169 339695574 /nfs/dbraw/zinc/69/55/74/339695574.db2.gz JHIXOQYCBHQWQA-UHFFFAOYSA-N -1 3 307.390 4.654 20 0 DJADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000490734065 339838902 /nfs/dbraw/zinc/83/89/02/339838902.db2.gz OIFVONNJBIFZDI-SNVBAGLBSA-N -1 3 324.207 4.750 20 0 DJADHM Cc1cccc([O-])c1NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000490754235 339839453 /nfs/dbraw/zinc/83/94/53/339839453.db2.gz DJWBGWJNEAFEBX-UHFFFAOYSA-N -1 3 318.376 4.697 20 0 DJADHM CC[C@H](C)Cc1c(C)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000507734211 340229823 /nfs/dbraw/zinc/22/98/23/340229823.db2.gz MZXBGPGUCSWWIZ-VIFPVBQESA-N -1 3 302.399 4.554 20 0 DJADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000507734206 340229922 /nfs/dbraw/zinc/22/99/22/340229922.db2.gz MZXBGPGUCSWWIZ-SECBINFHSA-N -1 3 302.399 4.554 20 0 DJADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cccc([O-])c1 ZINC000508604594 340247748 /nfs/dbraw/zinc/24/77/48/340247748.db2.gz OQOFKTNYKGIPBN-JTQLQIEISA-N -1 3 324.207 4.532 20 0 DJADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cccc([O-])c2)c(C)c1 ZINC000509058151 340259746 /nfs/dbraw/zinc/25/97/46/340259746.db2.gz RVSUNOMVNRJYNU-CYBMUJFWSA-N -1 3 315.438 4.844 20 0 DJADHM CCN(Cc1c[nH]c2ccccc12)Cc1cccc([O-])c1Cl ZINC000513051888 340391039 /nfs/dbraw/zinc/39/10/39/340391039.db2.gz PFYLMNKFZQCZHC-UHFFFAOYSA-N -1 3 314.816 4.549 20 0 DJADHM CCOc1cc(CNc2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000513567063 340413719 /nfs/dbraw/zinc/41/37/19/340413719.db2.gz JOTXCYKPGNKUTI-UHFFFAOYSA-N -1 3 309.768 4.504 20 0 DJADHM Cc1cccc([O-])c1NC(=O)CSc1ccc2ccccc2c1 ZINC000183054958 340486411 /nfs/dbraw/zinc/48/64/11/340486411.db2.gz KYDCBYXCDHWVFR-UHFFFAOYSA-N -1 3 323.417 4.585 20 0 DJADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)c2ccc(F)cc2)c1[O-] ZINC000522631980 340606168 /nfs/dbraw/zinc/60/61/68/340606168.db2.gz AQYOOYMISMUNPN-JTQLQIEISA-N -1 3 321.779 4.625 20 0 DJADHM Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1[O-] ZINC000326068749 340712451 /nfs/dbraw/zinc/71/24/51/340712451.db2.gz GYUPTPUBXKEEEF-UHFFFAOYSA-N -1 3 317.388 4.544 20 0 DJADHM CCc1ccc(-c2ccc(C(=O)Nc3c(C)cccc3[O-])o2)cc1 ZINC000538951934 340863247 /nfs/dbraw/zinc/86/32/47/340863247.db2.gz WBBOTLIOJCKMJW-UHFFFAOYSA-N -1 3 321.376 4.775 20 0 DJADHM CC(C)[C@H](C(=O)Nc1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000129765853 340985891 /nfs/dbraw/zinc/98/58/91/340985891.db2.gz CBHMSPKOPQGWJB-HNNXBMFYSA-N -1 3 321.779 4.563 20 0 DJADHM CSc1ccccc1[N-]C(=O)c1ccc(-c2cccs2)o1 ZINC000543972305 341064750 /nfs/dbraw/zinc/06/47/50/341064750.db2.gz CDOGSZREHZWPES-UHFFFAOYSA-N -1 3 315.419 4.982 20 0 DJADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1cc2ccccc2o1 ZINC000552783134 341404323 /nfs/dbraw/zinc/40/43/23/341404323.db2.gz FDISQGCGEPAVGS-SNVBAGLBSA-N -1 3 315.756 4.534 20 0 DJADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc2sccc2s1 ZINC000554362494 341451234 /nfs/dbraw/zinc/45/12/34/341451234.db2.gz PTIAOIUCXNIEMM-UHFFFAOYSA-N -1 3 313.325 4.632 20 0 DJADHM Cc1ccc(-c2csc([N-]C(=O)c3sccc3F)n2)cc1 ZINC000555967351 341492070 /nfs/dbraw/zinc/49/20/70/341492070.db2.gz MGWDPWSMZXAMEJ-UHFFFAOYSA-N -1 3 318.398 4.571 20 0 DJADHM CC(C)(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000572891425 341708217 /nfs/dbraw/zinc/70/82/17/341708217.db2.gz BCUVAUYCLMZJII-INIZCTEOSA-N -1 3 317.816 4.563 20 0 DJADHM CC(C)(C)C[C@@H](NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000577902024 341947580 /nfs/dbraw/zinc/94/75/80/341947580.db2.gz YJKLHIIRWLRSMP-OAHLLOKOSA-N -1 3 318.848 4.708 20 0 DJADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1-c1ccccc1 ZINC000178325939 341951707 /nfs/dbraw/zinc/95/17/07/341951707.db2.gz BPKXGEJMARAWEZ-UHFFFAOYSA-N -1 3 313.353 4.512 20 0 DJADHM CC(C)(C)c1cc2c([n-]c([C@@H]3CCCCS3)nc2=O)s1 ZINC000273343122 130110225 /nfs/dbraw/zinc/11/02/25/130110225.db2.gz NQQHRZPLILVONM-JTQLQIEISA-N -1 3 308.472 4.653 20 0 DJADHM CCOc1cc(CN[C@H](C)c2cc(C)oc2C)cc(Cl)c1[O-] ZINC000340564129 132006453 /nfs/dbraw/zinc/00/64/53/132006453.db2.gz RLABEYUASBGZRJ-LLVKDONJSA-N -1 3 323.820 4.505 20 0 DJADHM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000408079928 331773148 /nfs/dbraw/zinc/77/31/48/331773148.db2.gz OZPAXPKUSJCGIF-LBPRGKRZSA-N -1 3 313.397 4.571 20 0 DJADHM Cc1ccc(F)cc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000558602840 331927320 /nfs/dbraw/zinc/92/73/20/331927320.db2.gz PQCPTDBKTZTVEN-UHFFFAOYSA-N -1 3 308.765 4.583 20 0 DJADHM Cc1c(Cl)cccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000427189029 332182741 /nfs/dbraw/zinc/18/27/41/332182741.db2.gz HPPHEZDUENVDCU-NSHDSACASA-N -1 3 315.800 4.508 20 0 DJADHM CC(C)CC[C@H](NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000561949728 332520863 /nfs/dbraw/zinc/52/08/63/332520863.db2.gz FAADYBVDFUSQDG-INIZCTEOSA-N -1 3 318.848 4.708 20 0 DJADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)n1C(C)C ZINC000531351762 333345568 /nfs/dbraw/zinc/34/55/68/333345568.db2.gz PYMWPRWTMHZVCK-UHFFFAOYSA-N -1 3 320.820 4.606 20 0 DJADHM Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)c([O-])c1 ZINC000534601026 334296441 /nfs/dbraw/zinc/29/64/41/334296441.db2.gz PYYQTPHMROYGBS-UHFFFAOYSA-N -1 3 315.438 4.603 20 0 DJADHM CCSCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210829 334306206 /nfs/dbraw/zinc/30/62/06/334306206.db2.gz WIKLZZXANVLUEA-UHFFFAOYSA-N -1 3 321.829 4.551 20 0 DJADHM CSc1ccc(C(=O)[N-]c2cc(Cl)ccc2SC)o1 ZINC000112240070 334375422 /nfs/dbraw/zinc/37/54/22/334375422.db2.gz QXBBJTKZMDBFLR-UHFFFAOYSA-N -1 3 313.831 4.629 20 0 DJADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1 ZINC000436527041 338275134 /nfs/dbraw/zinc/27/51/34/338275134.db2.gz KSWZSLQSLDPESP-INIZCTEOSA-N -1 3 315.438 4.554 20 0 DJADHM CC(C)c1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c([O-])c1 ZINC000436914024 338293238 /nfs/dbraw/zinc/29/32/38/338293238.db2.gz XSNHNLHIFPGGCT-UHFFFAOYSA-N -1 3 319.364 4.714 20 0 DJADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000439398868 338368408 /nfs/dbraw/zinc/36/84/08/338368408.db2.gz SAVGLAUJLPBVGI-SNVBAGLBSA-N -1 3 324.207 4.750 20 0 DJADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000469183359 339282322 /nfs/dbraw/zinc/28/23/22/339282322.db2.gz JJFDXHZBSBCWHK-LBPRGKRZSA-N -1 3 315.438 4.731 20 0 DJADHM Cc1ccc2oc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cc2c1 ZINC000469186653 339282477 /nfs/dbraw/zinc/28/24/77/339282477.db2.gz ZYEFYPDNPOGIBF-CYBMUJFWSA-N -1 3 321.376 4.601 20 0 DJADHM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2)c2c([O-])cccc21 ZINC000469190105 339282581 /nfs/dbraw/zinc/28/25/81/339282581.db2.gz KASBPSWJUJURSZ-AWEZNQCLSA-N -1 3 317.388 4.699 20 0 DJADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1Cl ZINC000469260899 339284507 /nfs/dbraw/zinc/28/45/07/339284507.db2.gz ROQWVBUPEFMCBM-NSHDSACASA-N -1 3 315.800 4.508 20 0 DJADHM CC(C)Sc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472080824 339362937 /nfs/dbraw/zinc/36/29/37/339362937.db2.gz UDIMBYUCVUXYJZ-ZDUSSCGKSA-N -1 3 319.445 4.883 20 0 DJADHM Cc1csc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1Cl ZINC000480418964 339572631 /nfs/dbraw/zinc/57/26/31/339572631.db2.gz JBAOAAFBWLTTHK-SECBINFHSA-N -1 3 321.829 4.570 20 0 DJADHM C[C@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)c1ccc([O-])cc1 ZINC000487420259 339753585 /nfs/dbraw/zinc/75/35/85/339753585.db2.gz MDMLDXCCHDNSGR-LRTDBIEQSA-N -1 3 302.439 4.559 20 0 DJADHM Cc1ccc([O-])c(CN[C@@H](CC2CCCCC2)c2ccccc2)n1 ZINC000500891889 340069343 /nfs/dbraw/zinc/06/93/43/340069343.db2.gz GLDSCCOVCZGABW-IBGZPJMESA-N -1 3 324.468 4.897 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)c2c(F)cccc2Cl)c([O-])c1 ZINC000506227756 340189308 /nfs/dbraw/zinc/18/93/08/340189308.db2.gz NYBBKNZXWOFPDC-UHFFFAOYSA-N -1 3 321.779 4.735 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)c2ccc(F)cc2Cl)c([O-])c1 ZINC000506248932 340190005 /nfs/dbraw/zinc/19/00/05/340190005.db2.gz LAXNLDFCSFLZNY-UHFFFAOYSA-N -1 3 321.779 4.735 20 0 DJADHM [O-]c1ccc(F)c(CNc2cccc(OC3CCCC3)c2)c1F ZINC000509163527 340262802 /nfs/dbraw/zinc/26/28/02/340262802.db2.gz GGPWWSBGQMGSAV-UHFFFAOYSA-N -1 3 319.351 4.604 20 0 DJADHM Cc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c([O-])c1 ZINC000302898340 340285386 /nfs/dbraw/zinc/28/53/86/340285386.db2.gz NHMNKTFMGVZEGQ-ODNNXGBQSA-N -1 3 313.441 4.636 20 0 DJADHM CC[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000303142189 340305296 /nfs/dbraw/zinc/30/52/96/340305296.db2.gz BJWLHLDLGLZRFJ-LBPRGKRZSA-N -1 3 303.789 4.568 20 0 DJADHM [O-]c1cc(F)cc(CNc2ccc(COC3CCCC3)cc2)c1 ZINC000185549344 340502664 /nfs/dbraw/zinc/50/26/64/340502664.db2.gz ZHEUSECYGVJNDK-UHFFFAOYSA-N -1 3 315.388 4.603 20 0 DJADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2cccs2)o1 ZINC000544025363 341067090 /nfs/dbraw/zinc/06/70/90/341067090.db2.gz MLEQEGDUMUVMEM-UHFFFAOYSA-N -1 3 319.769 4.619 20 0 DJADHM CC(C)(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552436678 341393778 /nfs/dbraw/zinc/39/37/78/341393778.db2.gz RCQHLTJRTBTOJF-UHFFFAOYSA-N -1 3 303.789 4.595 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)c2sccc2Cl)c([O-])c1 ZINC000552592808 341399992 /nfs/dbraw/zinc/39/99/92/341399992.db2.gz WLWSNZMQMSMQOX-UHFFFAOYSA-N -1 3 309.818 4.657 20 0 DJADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(Cl)s1 ZINC000552779865 341404124 /nfs/dbraw/zinc/40/41/24/341404124.db2.gz KFUCHASRRXFNTJ-ZETCQYMHSA-N -1 3 316.209 4.503 20 0 DJADHM [O-]c1cc(CNc2cccc3ncccc32)cc(C(F)(F)F)c1 ZINC000576911334 341869178 /nfs/dbraw/zinc/86/91/78/341869178.db2.gz NLGLWZYGVJYQHQ-UHFFFAOYSA-N -1 3 318.298 4.571 20 0 DJADHM CC(C)(C)c1cc2c([n-]c([C@H]3CCCCS3)nc2=O)s1 ZINC000273343126 130109853 /nfs/dbraw/zinc/10/98/53/130109853.db2.gz NQQHRZPLILVONM-SNVBAGLBSA-N -1 3 308.472 4.653 20 0 DJADHM CCSc1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000530635651 331614105 /nfs/dbraw/zinc/61/41/05/331614105.db2.gz WPBNRTVBNIVYNE-UHFFFAOYSA-N -1 3 321.829 4.718 20 0 DJADHM CC(C)c1ccoc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000559574471 332272253 /nfs/dbraw/zinc/27/22/53/332272253.db2.gz FPABLFPMEKFXCS-UHFFFAOYSA-N -1 3 301.386 4.658 20 0 DJADHM [O-]c1ccc(-c2noc([C@@H]3CCCCS3)n2)c2ccccc12 ZINC000560086679 332309989 /nfs/dbraw/zinc/30/99/89/332309989.db2.gz SDFAHRQVKHZRKQ-HNNXBMFYSA-N -1 3 312.394 4.554 20 0 DJADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cccc([O-])c1 ZINC000182506906 335128086 /nfs/dbraw/zinc/12/80/86/335128086.db2.gz SIIPVWXVDPKQCR-UHFFFAOYSA-N -1 3 315.438 4.595 20 0 DJADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cc([O-])cc(F)c1 ZINC000351988962 336185966 /nfs/dbraw/zinc/18/59/66/336185966.db2.gz ODKFMAWCAYQQJL-GFCCVEGCSA-N -1 3 322.449 4.613 20 0 DJADHM CC(C)Sc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532749324 336269477 /nfs/dbraw/zinc/26/94/77/336269477.db2.gz ZLEHIRDVRHOWNH-UHFFFAOYSA-N -1 3 321.829 4.798 20 0 DJADHM CC(C)CCC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000515066877 337977958 /nfs/dbraw/zinc/97/79/58/337977958.db2.gz XLTIJVJTPUZXRZ-QGZVFWFLSA-N -1 3 323.864 4.614 20 0 DJADHM Cc1ccc(NC(=O)c2cn(CC(C)C)c3ccccc23)c([O-])c1 ZINC000516332327 338011030 /nfs/dbraw/zinc/01/10/30/338011030.db2.gz RRJJCYAFFLIZKS-UHFFFAOYSA-N -1 3 322.408 4.564 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2coc3ccccc23)CC)n1 ZINC000435337616 338237322 /nfs/dbraw/zinc/23/73/22/338237322.db2.gz XDWGEPIEIHQGAM-JLHYYAGUSA-N -1 3 308.381 4.832 20 0 DJADHM CCOc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(Cl)c1[O-] ZINC000436559989 338277059 /nfs/dbraw/zinc/27/70/59/338277059.db2.gz ZKRQHNNGUGCZAO-UHFFFAOYSA-N -1 3 323.179 4.641 20 0 DJADHM CCOc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(Cl)c1[O-] ZINC000436559989 338277060 /nfs/dbraw/zinc/27/70/60/338277060.db2.gz ZKRQHNNGUGCZAO-UHFFFAOYSA-N -1 3 323.179 4.641 20 0 DJADHM CC(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000436665821 338282202 /nfs/dbraw/zinc/28/22/02/338282202.db2.gz PUEUZKWJVDASOF-UHFFFAOYSA-N -1 3 323.436 4.535 20 0 DJADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1cccc2ccccc21 ZINC000436716721 338283812 /nfs/dbraw/zinc/28/38/12/338283812.db2.gz CANMJFWWHJYIJL-LJQANCHMSA-N -1 3 317.388 4.523 20 0 DJADHM CC(C)c1ccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436932016 338294187 /nfs/dbraw/zinc/29/41/87/338294187.db2.gz NTKXUXDXFKCGAU-CYBMUJFWSA-N -1 3 324.380 4.706 20 0 DJADHM CC(C)c1ccc(-c2nc([C@H]3CCCCS3)no2)c([O-])c1 ZINC000436951932 338295535 /nfs/dbraw/zinc/29/55/35/338295535.db2.gz HHSQDWHZIWADMD-CQSZACIVSA-N -1 3 304.415 4.524 20 0 DJADHM [O-]c1cccc2ccc(/C=C/c3ncc(C(F)(F)F)s3)nc12 ZINC000436962119 338296052 /nfs/dbraw/zinc/29/60/52/338296052.db2.gz DCDRKMKWIDFZBR-VOTSOKGWSA-N -1 3 322.311 4.586 20 0 DJADHM C[C@H](CC(=O)Nc1ccccc1[O-])c1ccccc1C(F)(F)F ZINC000438898823 338355139 /nfs/dbraw/zinc/35/51/39/338355139.db2.gz XWOMQVNNPLHQLM-LLVKDONJSA-N -1 3 323.314 4.543 20 0 DJADHM Cc1c2cc(C)ccc2sc1C(=O)Nc1ccc([O-])cc1F ZINC000446283994 338524402 /nfs/dbraw/zinc/52/44/02/338524402.db2.gz YSXYKCLYIYXJQO-UHFFFAOYSA-N -1 3 315.369 4.615 20 0 DJADHM C[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)c2c([O-])cccc21 ZINC000467574286 339243116 /nfs/dbraw/zinc/24/31/16/339243116.db2.gz GYCIIWBKIBJESP-CQSZACIVSA-N -1 3 321.420 4.814 20 0 DJADHM Cc1ccc(/C=C\CC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000469259408 339284535 /nfs/dbraw/zinc/28/45/35/339284535.db2.gz JUYOSCLPZJFURO-IMMZDGJCSA-N -1 3 321.420 4.644 20 0 DJADHM Cc1cc(Cl)cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000469283641 339285123 /nfs/dbraw/zinc/28/51/23/339285123.db2.gz WMBKKEADBMDFQS-GFCCVEGCSA-N -1 3 315.800 4.508 20 0 DJADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1Cl ZINC000469310304 339285772 /nfs/dbraw/zinc/28/57/72/339285772.db2.gz VOSAQRPUGUXJBU-NSHDSACASA-N -1 3 315.800 4.508 20 0 DJADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000469796877 339300801 /nfs/dbraw/zinc/30/08/01/339300801.db2.gz AMBDXDPGTRSDIS-UHFFFAOYSA-N -1 3 303.789 4.730 20 0 DJADHM CCCC[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)cc1 ZINC000472071451 339362354 /nfs/dbraw/zinc/36/23/54/339362354.db2.gz CWAZMXTYQDYBBP-IBGZPJMESA-N -1 3 317.404 4.561 20 0 DJADHM CCCC[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)cc1 ZINC000472071452 339362419 /nfs/dbraw/zinc/36/24/19/339362419.db2.gz CWAZMXTYQDYBBP-LJQANCHMSA-N -1 3 317.404 4.561 20 0 DJADHM CC(=O)c1ccc(C(=O)[N-]c2ccccc2SC(C)C)s1 ZINC000472545643 339373666 /nfs/dbraw/zinc/37/36/66/339373666.db2.gz GNAQCZQAWSWXQJ-UHFFFAOYSA-N -1 3 319.451 4.704 20 0 DJADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C(C)C)cn1 ZINC000484942452 339696447 /nfs/dbraw/zinc/69/64/47/339696447.db2.gz XWVSACRPYWALDR-UHFFFAOYSA-N -1 3 318.417 4.708 20 0 DJADHM Cc1ccc(F)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1F ZINC000506237297 340189509 /nfs/dbraw/zinc/18/95/09/340189509.db2.gz BJGBNKJIJBHQGI-UHFFFAOYSA-N -1 3 319.351 4.529 20 0 DJADHM [O-]c1cccc(CN2CCCCC[C@H]2c2ccncc2)c1Cl ZINC000506852830 340202831 /nfs/dbraw/zinc/20/28/31/340202831.db2.gz ZTMPZMPNHVPYFS-INIZCTEOSA-N -1 3 316.832 4.558 20 0 DJADHM [O-]c1cccc(CN(Cc2ccco2)C2CCCC2)c1Cl ZINC000507204114 340213150 /nfs/dbraw/zinc/21/31/50/340213150.db2.gz PQMJECXQQRMVBK-UHFFFAOYSA-N -1 3 305.805 4.583 20 0 DJADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cccc([O-])c1 ZINC000508606119 340247759 /nfs/dbraw/zinc/24/77/59/340247759.db2.gz XTGBRMQPGISFKY-JTQLQIEISA-N -1 3 324.207 4.532 20 0 DJADHM CC(C)Sc1ccccc1NCc1c(F)ccc([O-])c1F ZINC000509493340 340271383 /nfs/dbraw/zinc/27/13/83/340271383.db2.gz OUASKYAPBXPALV-UHFFFAOYSA-N -1 3 309.381 4.783 20 0 DJADHM Cc1[nH]c2ccc(-c3nc4cc(Cl)ccc4c(=O)[n-]3)cc2c1C ZINC000510611072 340303954 /nfs/dbraw/zinc/30/39/54/340303954.db2.gz MTDPPMHTMBKQLV-UHFFFAOYSA-N -1 3 323.783 4.754 20 0 DJADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[O-] ZINC000303319112 340320236 /nfs/dbraw/zinc/32/02/36/340320236.db2.gz QXRQTMCCMGKVSZ-SNVBAGLBSA-N -1 3 324.207 4.516 20 0 DJADHM Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000512019224 340345481 /nfs/dbraw/zinc/34/54/81/340345481.db2.gz WQVUTMKYODIDLW-UHFFFAOYSA-N -1 3 310.180 4.568 20 0 DJADHM Cc1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000512173748 340350929 /nfs/dbraw/zinc/35/09/29/340350929.db2.gz AVZOUKPDYVCTPL-UHFFFAOYSA-N -1 3 310.180 4.568 20 0 DJADHM CCOc1cc(CNc2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000513609478 340414782 /nfs/dbraw/zinc/41/47/82/340414782.db2.gz UFDQSKNSJHYANN-UHFFFAOYSA-N -1 3 323.845 4.778 20 0 DJADHM O=C([N-]c1c(F)cccc1F)c1ccc(Oc2ccccc2)o1 ZINC000176141760 340425391 /nfs/dbraw/zinc/42/53/91/340425391.db2.gz ZDMMPRFIMFAKLS-UHFFFAOYSA-N -1 3 315.275 4.602 20 0 DJADHM O=C(Nc1cccc([O-])c1F)c1cccc(Oc2ccccc2)c1 ZINC000128334551 340875346 /nfs/dbraw/zinc/87/53/46/340875346.db2.gz CWCXOKMNXICERW-UHFFFAOYSA-N -1 3 323.323 4.576 20 0 DJADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(-c2ccccc2)o1 ZINC000544051648 341068175 /nfs/dbraw/zinc/06/81/75/341068175.db2.gz ZDGXWBQFVKSAAV-UHFFFAOYSA-N -1 3 317.266 4.616 20 0 DJADHM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1c(F)cccc1F ZINC000073849985 341121940 /nfs/dbraw/zinc/12/19/40/341121940.db2.gz ZUYROPUOLVQZBA-UHFFFAOYSA-N -1 3 322.380 4.640 20 0 DJADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(Cl)c1Cl ZINC000552436705 341393791 /nfs/dbraw/zinc/39/37/91/341393791.db2.gz SGLMVYGGTDBBIE-UHFFFAOYSA-N -1 3 316.571 4.605 20 0 DJADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1cc2ccccc2o1 ZINC000552783133 341404309 /nfs/dbraw/zinc/40/43/09/341404309.db2.gz FDISQGCGEPAVGS-JTQLQIEISA-N -1 3 315.756 4.534 20 0 DJADHM CC(C)(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000584148547 331843084 /nfs/dbraw/zinc/84/30/84/331843084.db2.gz MJOSWVAAHLLDFJ-UHFFFAOYSA-N -1 3 321.779 4.735 20 0 DJADHM Cc1nc(-c2cccc(NCc3cc([O-])cc(F)c3)c2)cs1 ZINC000317726350 332136215 /nfs/dbraw/zinc/13/62/15/332136215.db2.gz KIIODGVJAYBLQL-UHFFFAOYSA-N -1 3 314.385 4.575 20 0 DJADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(C2CCC2)cc1 ZINC000560822244 332388573 /nfs/dbraw/zinc/38/85/73/332388573.db2.gz HATMPLJNXUMBHV-UHFFFAOYSA-N -1 3 301.773 4.565 20 0 DJADHM CCSCc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000560822735 332388859 /nfs/dbraw/zinc/38/88/59/332388859.db2.gz WGVASWUZVJGAOX-UHFFFAOYSA-N -1 3 321.829 4.551 20 0 DJADHM CCSc1cccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)c1 ZINC000427471461 332433058 /nfs/dbraw/zinc/43/30/58/332433058.db2.gz YPEYMRAGPLDOHU-UHFFFAOYSA-N -1 3 316.813 4.768 20 0 DJADHM O=C([N-]c1c(F)cccc1F)c1ccc(-c2cccs2)o1 ZINC000561700451 332482358 /nfs/dbraw/zinc/48/23/58/332482358.db2.gz BLMIICLJGQCZJI-UHFFFAOYSA-N -1 3 305.305 4.539 20 0 DJADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1csc(Cl)c1 ZINC000188055724 333158358 /nfs/dbraw/zinc/15/83/58/333158358.db2.gz TUSZNIIJRDYOQN-UHFFFAOYSA-N -1 3 308.136 4.585 20 0 DJADHM O=C(Nc1ccccc1-c1ccccc1)c1cc([O-])ccc1Cl ZINC000323506666 333359133 /nfs/dbraw/zinc/35/91/33/333359133.db2.gz DIDRKMSEGBRKOX-UHFFFAOYSA-N -1 3 323.779 4.965 20 0 DJADHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348146781 335557713 /nfs/dbraw/zinc/55/77/13/335557713.db2.gz SDMUVCYLBQHHCY-UHFFFAOYSA-N -1 3 323.245 4.550 20 0 DJADHM [O-]c1cc(CNc2cncc3ccccc32)cc(C(F)(F)F)c1 ZINC000583593586 335753141 /nfs/dbraw/zinc/75/31/41/335753141.db2.gz HLNZIEMQPNSDSF-UHFFFAOYSA-N -1 3 318.298 4.571 20 0 DJADHM CCc1noc(C)c1[N-]C(=O)c1sccc1-c1ccccc1 ZINC000120892549 337881689 /nfs/dbraw/zinc/88/16/89/337881689.db2.gz FGXJTQRABWKMED-UHFFFAOYSA-N -1 3 312.394 4.526 20 0 DJADHM CC(C)CCC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000515066876 337978005 /nfs/dbraw/zinc/97/80/05/337978005.db2.gz XLTIJVJTPUZXRZ-KRWDZBQOSA-N -1 3 323.864 4.614 20 0 DJADHM Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3)[n-]c(=O)c2c1 ZINC000431178283 338124999 /nfs/dbraw/zinc/12/49/99/338124999.db2.gz CJNUCJPOWLQLEC-UHFFFAOYSA-N -1 3 305.164 4.618 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(C(C)C)s2)CC)n1 ZINC000435335525 338237270 /nfs/dbraw/zinc/23/72/70/338237270.db2.gz ITGHBEIGYAHPLT-XYOKQWHBSA-N -1 3 317.458 4.665 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(C(C)C)s2)CC)n1 ZINC000435335524 338237279 /nfs/dbraw/zinc/23/72/79/338237279.db2.gz ITGHBEIGYAHPLT-WQLSENKSSA-N -1 3 317.458 4.665 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(Cl)c2F)CC)n1 ZINC000435339909 338237428 /nfs/dbraw/zinc/23/74/28/338237428.db2.gz YTZYQNYOSPDHEX-PKNBQFBNSA-N -1 3 320.795 4.878 20 0 DJADHM CSc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000436614103 338280190 /nfs/dbraw/zinc/28/01/90/338280190.db2.gz VFIASXCPGVAMEZ-UHFFFAOYSA-N -1 3 324.361 4.577 20 0 DJADHM CC(C)c1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c([O-])c1 ZINC000436614777 338280207 /nfs/dbraw/zinc/28/02/07/338280207.db2.gz BDHKGGWXSNBEAJ-DLBZAZTESA-N -1 3 320.392 4.837 20 0 DJADHM [O-]c1ccccc1-c1nc(-c2ccnc(C(F)(F)F)c2)cs1 ZINC000436825419 338288755 /nfs/dbraw/zinc/28/87/55/338288755.db2.gz GPJMOFMGTLVBNZ-UHFFFAOYSA-N -1 3 322.311 4.597 20 0 DJADHM O=c1nc(-c2cc(Cl)cs2)[n-]c2sc3c(c21)CCCC3 ZINC000447107268 338545662 /nfs/dbraw/zinc/54/56/62/338545662.db2.gz FSHYZNLPLYZKKM-UHFFFAOYSA-N -1 3 322.842 4.658 20 0 DJADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)c1cc2ccccc2o1 ZINC000195622863 338911573 /nfs/dbraw/zinc/91/15/73/338911573.db2.gz DMVZNZLZYNLGRQ-CQSZACIVSA-N -1 3 323.392 4.670 20 0 DJADHM Cc1cccc2cc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)oc21 ZINC000469178019 339282191 /nfs/dbraw/zinc/28/21/91/339282191.db2.gz YHWVARCPJNNCTR-LBPRGKRZSA-N -1 3 321.376 4.601 20 0 DJADHM Cc1ccc2oc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cc2c1 ZINC000469186699 339282461 /nfs/dbraw/zinc/28/24/61/339282461.db2.gz ZYEFYPDNPOGIBF-ZDUSSCGKSA-N -1 3 321.376 4.601 20 0 DJADHM C[C@@H]1CCN(C(=O)c2cccc3ccccc32)c2c([O-])cccc21 ZINC000469218686 339283333 /nfs/dbraw/zinc/28/33/33/339283333.db2.gz JRAPTVFNGZIFJQ-CQSZACIVSA-N -1 3 317.388 4.699 20 0 DJADHM C[C@@H]1CCN(C(=O)c2cccc3ccsc32)c2c([O-])cccc21 ZINC000469302848 339285495 /nfs/dbraw/zinc/28/54/95/339285495.db2.gz SHRNXPOBZFMGCF-GFCCVEGCSA-N -1 3 323.417 4.761 20 0 DJADHM Cc1ccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccc2)cc1 ZINC000471969594 339358361 /nfs/dbraw/zinc/35/83/61/339358361.db2.gz SUJNGWXOWBSPMW-NRFANRHFSA-N -1 3 321.395 4.719 20 0 DJADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc2ccccc2s1 ZINC000472036348 339359925 /nfs/dbraw/zinc/35/99/25/339359925.db2.gz XMFRSOPUKBEVLD-NSHDSACASA-N -1 3 301.386 4.597 20 0 DJADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2F)C2CCCC2)c1 ZINC000472046202 339360471 /nfs/dbraw/zinc/36/04/71/339360471.db2.gz AQZIKKKBZOHALP-IBGZPJMESA-N -1 3 317.379 4.692 20 0 DJADHM CC(C)(C)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1F ZINC000472066932 339362017 /nfs/dbraw/zinc/36/20/17/339362017.db2.gz ZASMCFHVSKDNSZ-KRWDZBQOSA-N -1 3 323.358 4.687 20 0 DJADHM Cc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)ccc1F ZINC000485369289 339702038 /nfs/dbraw/zinc/70/20/38/339702038.db2.gz CYCULBXHHCGABG-UHFFFAOYSA-N -1 3 323.154 4.757 20 0 DJADHM C[C@H](c1ccc(C(C)(C)C)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000487420258 339753548 /nfs/dbraw/zinc/75/35/48/339753548.db2.gz MDMLDXCCHDNSGR-ASSNKEHSSA-N -1 3 302.439 4.559 20 0 DJADHM Cc1cccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000502853576 340114829 /nfs/dbraw/zinc/11/48/29/340114829.db2.gz BIXLYVYYDDBGHI-UHFFFAOYSA-N -1 3 322.389 4.682 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)c2ccccc2Cl)c([O-])c1 ZINC000506227684 340189290 /nfs/dbraw/zinc/18/92/90/340189290.db2.gz MSCUEUGTXIFHET-UHFFFAOYSA-N -1 3 303.789 4.595 20 0 DJADHM CC(C)(C)c1cc2c([n-]c(-c3ccc(Cl)o3)nc2=O)s1 ZINC000507038099 340206043 /nfs/dbraw/zinc/20/60/43/340206043.db2.gz VYVPLXNDFMQUCB-UHFFFAOYSA-N -1 3 308.790 4.608 20 0 DJADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nc(CC)oc1C ZINC000511218962 340324167 /nfs/dbraw/zinc/32/41/67/340324167.db2.gz XQMZOJZUVOVQQC-UHFFFAOYSA-N -1 3 324.833 4.563 20 0 DJADHM CC(C)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188929601 340523544 /nfs/dbraw/zinc/52/35/44/340523544.db2.gz QPNJNPBVPBTAJX-UHFFFAOYSA-N -1 3 323.314 4.787 20 0 DJADHM CCc1ocnc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000524984093 340686258 /nfs/dbraw/zinc/68/62/58/340686258.db2.gz KNFKXTLUFQLGKF-UHFFFAOYSA-N -1 3 324.833 4.643 20 0 DJADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2occc2C(C)C)c1F ZINC000551614936 341347355 /nfs/dbraw/zinc/34/73/55/341347355.db2.gz KDNANZTZFPDVII-UHFFFAOYSA-N -1 3 313.731 4.895 20 0 DJADHM CC(C)c1nc2cc(NCc3c(F)ccc([O-])c3F)ccc2o1 ZINC000551978342 341356538 /nfs/dbraw/zinc/35/65/38/341356538.db2.gz SBKKALMEXBHNJD-UHFFFAOYSA-N -1 3 318.323 4.547 20 0 DJADHM CC(C)Sc1ccccc1[N-]C(=O)c1scnc1C1CC1 ZINC000089826483 341409453 /nfs/dbraw/zinc/40/94/53/341409453.db2.gz FWWCQUAAVTZQTJ-UHFFFAOYSA-N -1 3 318.467 4.773 20 0 DJADHM Cc1cccc([O-])c1NC(=O)c1coc2ccc(C(C)C)cc12 ZINC000553455983 341429455 /nfs/dbraw/zinc/42/94/55/341429455.db2.gz MIMOWPOAFSNOGV-UHFFFAOYSA-N -1 3 309.365 4.823 20 0 DJADHM Cc1nc(C)c(C(=O)[N-]c2ccccc2SC2CCCC2)o1 ZINC000174208336 526704950 /nfs/dbraw/zinc/70/49/50/526704950.db2.gz XZULTICATZCJDA-UHFFFAOYSA-N -1 3 316.426 4.578 20 0 DJADHM Cc1ccc(NC(=O)c2cscc2-c2ccccc2)c([O-])c1 ZINC000558465251 331909985 /nfs/dbraw/zinc/90/99/85/331909985.db2.gz DKPYQBGYLDTWPK-UHFFFAOYSA-N -1 3 309.390 4.681 20 0 DJADHM CCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1[O-] ZINC000169964916 332631273 /nfs/dbraw/zinc/63/12/73/332631273.db2.gz AXAKKAINACFSOS-UHFFFAOYSA-N -1 3 316.788 4.604 20 0 DJADHM [O-]c1cc(F)cc(CN[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000184138089 333342439 /nfs/dbraw/zinc/34/24/39/333342439.db2.gz HWXKZHLHOMZNMX-OAHLLOKOSA-N -1 3 323.820 4.511 20 0 DJADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1ccsc1Cl ZINC000186927566 333382078 /nfs/dbraw/zinc/38/20/78/333382078.db2.gz QLXZECGQBQVVEK-UHFFFAOYSA-N -1 3 318.785 4.617 20 0 DJADHM O=C([N-]c1ccsc1Cl)c1cc(F)c(Cl)cc1F ZINC000187889817 334341240 /nfs/dbraw/zinc/34/12/40/334341240.db2.gz IIMZGPDTCYGJBG-UHFFFAOYSA-N -1 3 308.136 4.585 20 0 DJADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2sccc2c1 ZINC000532837552 336272711 /nfs/dbraw/zinc/27/27/11/336272711.db2.gz PGGSZDVCLMAHMZ-UHFFFAOYSA-N -1 3 303.770 4.513 20 0 DJADHM COc1csc(C(=O)[N-]c2ccccc2SC(C)C)c1 ZINC000122513137 337920093 /nfs/dbraw/zinc/92/00/93/337920093.db2.gz LMVCTZUYPYCLJD-UHFFFAOYSA-N -1 3 307.440 4.510 20 0 DJADHM CC(C)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000431597166 338134409 /nfs/dbraw/zinc/13/44/09/338134409.db2.gz RUCRBEBBXPJLGL-KRWDZBQOSA-N -1 3 317.816 4.563 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)cs2)CC)n1 ZINC000435334742 338237074 /nfs/dbraw/zinc/23/70/74/338237074.db2.gz BUIUYVLNVZGFEI-UXBLZVDNSA-N -1 3 308.834 4.800 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(F)cc2F)CC)n1 ZINC000435338429 338237336 /nfs/dbraw/zinc/23/73/36/338237336.db2.gz DIFOVGFJPPLQNJ-POHAHGRESA-N -1 3 322.330 4.503 20 0 DJADHM CCc1sc(-c2ccccc2[O-])nc1-c1ccc(OC)cc1 ZINC000436746464 338285227 /nfs/dbraw/zinc/28/52/27/338285227.db2.gz HGNPQEKSJIDCOK-UHFFFAOYSA-N -1 3 311.406 4.754 20 0 DJADHM Cc1sc(-c2ccccc2[O-])nc1-c1cc(F)ccc1F ZINC000436748995 338285288 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C[C@H](c1ccsc1)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436607590 338279647 /nfs/dbraw/zinc/27/96/47/338279647.db2.gz GMEXDYNAXSJZJM-LLVKDONJSA-N -1 3 322.389 4.809 20 0 DJADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436734700 338284614 /nfs/dbraw/zinc/28/46/14/338284614.db2.gz BRCLPHYSLJHQOC-MAUKXSAKSA-N -1 3 323.436 4.534 20 0 DJADHM CC[C@H](C)c1ccccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436767183 338286501 /nfs/dbraw/zinc/28/65/01/338286501.db2.gz GFNXIHSCIQKPDY-ZDUSSCGKSA-N -1 3 324.380 4.535 20 0 DJADHM C[C@@H](c1cccs1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436936274 338294468 /nfs/dbraw/zinc/29/44/68/338294468.db2.gz ANDHNQIWIZCPRA-NSHDSACASA-N -1 3 322.389 4.809 20 0 DJADHM Cc1ccc(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)c([O-])c1 ZINC000436955031 338295678 /nfs/dbraw/zinc/29/56/78/338295678.db2.gz CGXCIOBZLDXXQQ-UHFFFAOYSA-N -1 3 316.307 4.529 20 0 DJADHM C[C@@H]1CCN(C(=O)c2csc3ccccc23)c2c([O-])cccc21 ZINC000468820665 339271822 /nfs/dbraw/zinc/27/18/22/339271822.db2.gz 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312.712 4.509 20 0 DJADHM Cc1cc2cc(C(=O)Nc3c([O-])cccc3Cl)oc2cc1C ZINC000583136782 337243473 /nfs/dbraw/zinc/24/34/73/337243473.db2.gz REBMEBQLIYQBPN-UHFFFAOYSA-N -1 3 315.756 4.661 20 0 DJADHM CCCCCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000537046318 337883507 /nfs/dbraw/zinc/88/35/07/337883507.db2.gz CSYYYDOWUMXSRC-UHFFFAOYSA-N -1 3 302.399 4.505 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3ccccc3o2)CC)n1 ZINC000435335881 338237174 /nfs/dbraw/zinc/23/71/74/338237174.db2.gz LJJWUFDGNXKRQB-RAXLEYEMSA-N -1 3 308.381 4.832 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2coc3ccccc23)CC)n1 ZINC000435337617 338237395 /nfs/dbraw/zinc/23/73/95/338237395.db2.gz XDWGEPIEIHQGAM-RAXLEYEMSA-N -1 3 308.381 4.832 20 0 DJADHM [O-]c1ccc(-c2noc([C@H](F)c3ccccc3)n2)c2ccccc12 ZINC000436618293 338280249 /nfs/dbraw/zinc/28/02/49/338280249.db2.gz NCYXASFNVTYCDE-QGZVFWFLSA-N -1 3 320.323 4.654 20 0 DJADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436734702 338284601 /nfs/dbraw/zinc/28/46/01/338284601.db2.gz 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[O-]c1cc2ccccc2cc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000391740139 335086069 /nfs/dbraw/zinc/08/60/69/335086069.db2.gz UEXWAVAAPGLOMG-UHFFFAOYSA-N -1 3 324.286 4.541 20 0 DJADHM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c([O-])c1 ZINC000518726408 332137665 /nfs/dbraw/zinc/13/76/65/332137665.db2.gz MXHWQBBMWPSBHQ-ROUUACIJSA-N -1 3 317.388 4.596 20 0 DJADHM [O-]c1ccc(-c2noc([C@H]3CCCCS3)n2)c2ccccc12 ZINC000560086680 332310137 /nfs/dbraw/zinc/31/01/37/332310137.db2.gz SDFAHRQVKHZRKQ-OAHLLOKOSA-N -1 3 312.394 4.554 20 0 DJADHM CC(C)CCC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000563283306 333520544 /nfs/dbraw/zinc/52/05/44/333520544.db2.gz NDAYLQAIVLTBAC-UHFFFAOYSA-N -1 3 323.864 4.686 20 0 DJADHM [O-]c1cccc2ccc(/C=C/c3cnc(C(F)(F)F)s3)nc12 ZINC000435751444 333811795 /nfs/dbraw/zinc/81/17/95/333811795.db2.gz RTXKORMKKJYIRN-VOTSOKGWSA-N -1 3 322.311 4.586 20 0 DJADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2ccc(Cl)s2)c1F ZINC000534925494 334349151 /nfs/dbraw/zinc/34/91/51/334349151.db2.gz KCXZNZFNBXHAEC-UHFFFAOYSA-N -1 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CC(C)(C)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1 ZINC000317825343 332247722 /nfs/dbraw/zinc/24/77/22/332247722.db2.gz ZOWNFPFVIIEMCH-KRWDZBQOSA-N -1 3 305.368 4.547 20 0 DJADHM Cc1cscc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000151204576 332560324 /nfs/dbraw/zinc/56/03/24/332560324.db2.gz LMQJORPIOXOGCB-UHFFFAOYSA-N -1 3 318.785 4.617 20 0 DJADHM Cc1cscc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000531157300 333035504 /nfs/dbraw/zinc/03/55/04/333035504.db2.gz KWSMJXFHEIIAPW-UHFFFAOYSA-N -1 3 323.417 4.605 20 0 DJADHM [O-]c1cc(CNc2cccc3cccnc32)cc(C(F)(F)F)c1 ZINC000352857059 336281545 /nfs/dbraw/zinc/28/15/45/336281545.db2.gz XPSQMNPPYVVJOZ-UHFFFAOYSA-N -1 3 318.298 4.571 20 0 DJADHM CCN(C(=O)c1cc(C)ccc1[O-])c1cccc2ccccc21 ZINC000319798533 337582553 /nfs/dbraw/zinc/58/25/53/337582553.db2.gz IVLFISCCKOYAGQ-UHFFFAOYSA-N -1 3 305.377 4.521 20 0 DJADHM CC(C)CCCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000537415310 337934165 /nfs/dbraw/zinc/93/41/65/337934165.db2.gz MJYVTQPGTZKACE-UHFFFAOYSA-N -1 3 316.426 4.751 20 0 DJADHM Cc1[nH]c2ccc(-c3nc4ccc(Cl)cc4c(=O)[n-]3)cc2c1C ZINC000515609880 337994610 /nfs/dbraw/zinc/99/46/10/337994610.db2.gz AJQCUCSWGYZQPP-UHFFFAOYSA-N -1 3 323.783 4.754 20 0 DJADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c3c(cccc31)CC2 ZINC000516396921 338011722 /nfs/dbraw/zinc/01/17/22/338011722.db2.gz UKNKDBWVBRNYDG-UHFFFAOYSA-N -1 3 323.779 4.550 20 0 DJADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)sc2c1CCCC2 ZINC000431859109 338140324 /nfs/dbraw/zinc/14/03/24/338140324.db2.gz FBOSIJIMVNQRCE-UHFFFAOYSA-N -1 3 321.829 4.547 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccsc2Cl)CC)n1 ZINC000435335629 338237191 /nfs/dbraw/zinc/23/71/91/338237191.db2.gz JRPXOBOJWPUVTG-NTMALXAHSA-N -1 3 308.834 4.800 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)ccc2F)CC)n1 ZINC000435338862 338237533 /nfs/dbraw/zinc/23/75/33/338237533.db2.gz KSNRGAXKICRTFX-FLIBITNWSA-N -1 3 320.795 4.878 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(Cl)c2F)CC)n1 ZINC000435339908 338237545 /nfs/dbraw/zinc/23/75/45/338237545.db2.gz YTZYQNYOSPDHEX-LUAWRHEFSA-N -1 3 320.795 4.878 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)cc2F)CC)n1 ZINC000435341496 338237633 /nfs/dbraw/zinc/23/76/33/338237633.db2.gz XZRNFTNWYYLURS-FLIBITNWSA-N -1 3 320.795 4.878 20 0 DJADHM CC(C)c1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000435823221 338250497 /nfs/dbraw/zinc/25/04/97/338250497.db2.gz ZQXWRNZMSYZRRG-UHFFFAOYSA-N -1 3 311.410 4.514 20 0 DJADHM CC(C)c1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000435823221 338250498 /nfs/dbraw/zinc/25/04/98/338250498.db2.gz ZQXWRNZMSYZRRG-UHFFFAOYSA-N -1 3 311.410 4.514 20 0 DJADHM [O-]c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cn2)cs1 ZINC000436656398 338281896 /nfs/dbraw/zinc/28/18/96/338281896.db2.gz GAZAPIFFSSMJPO-UHFFFAOYSA-N -1 3 322.311 4.597 20 0 DJADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000436758363 338286067 /nfs/dbraw/zinc/28/60/67/338286067.db2.gz XSBSCKYIPMGPFL-OAHLLOKOSA-N -1 3 315.438 4.554 20 0 DJADHM CCOc1cc(/C=C\c2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000436809014 338288066 /nfs/dbraw/zinc/28/80/66/338288066.db2.gz 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ZINC000501952654 340091363 /nfs/dbraw/zinc/09/13/63/340091363.db2.gz ZOOGKMJFBOWUDC-UHFFFAOYSA-N -1 3 323.845 4.965 20 0 DJADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cccc([O-])c1 ZINC000509322601 340266236 /nfs/dbraw/zinc/26/62/36/340266236.db2.gz ONYTYUFOEQAGMM-UHFFFAOYSA-N -1 3 323.323 4.576 20 0 DJADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[O-] ZINC000303319111 340320303 /nfs/dbraw/zinc/32/03/03/340320303.db2.gz QXRQTMCCMGKVSZ-JTQLQIEISA-N -1 3 324.207 4.516 20 0 DJADHM CCOc1cc(CNc2ccc(C)c(F)c2)cc(Cl)c1[O-] ZINC000512928805 340384418 /nfs/dbraw/zinc/38/44/18/340384418.db2.gz LYNJFIMVPFOIIH-UHFFFAOYSA-N -1 3 309.768 4.504 20 0 DJADHM Cc1c2ccccc2oc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186289134 340510668 /nfs/dbraw/zinc/51/06/68/340510668.db2.gz UVHNFJVTOTYWHB-LBPRGKRZSA-N -1 3 321.376 4.601 20 0 DJADHM O=C([N-]c1ccsc1Cl)c1nc(-c2ccccc2)cs1 ZINC000186939747 340516901 /nfs/dbraw/zinc/51/69/01/340516901.db2.gz IRTHKAZJHCMNMY-UHFFFAOYSA-N -1 3 320.826 4.777 20 0 DJADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000223082445 340543616 /nfs/dbraw/zinc/54/36/16/340543616.db2.gz XGMXMPLNFMDWGO-VIFPVBQESA-N -1 3 314.187 4.689 20 0 DJADHM Cc1cccc([O-])c1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000538951248 340863292 /nfs/dbraw/zinc/86/32/92/340863292.db2.gz AQTDINPGSPQPFX-UHFFFAOYSA-N -1 3 309.409 4.613 20 0 DJADHM Cc1ccc(Oc2ccccc2NC(=O)c2cccc([O-])c2)cc1 ZINC000541889079 340987493 /nfs/dbraw/zinc/98/74/93/340987493.db2.gz SKJNDPCHKTUNGG-UHFFFAOYSA-N -1 3 319.360 4.745 20 0 DJADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc(-c2cccs2)o1 ZINC000543089615 341031333 /nfs/dbraw/zinc/03/13/33/341031333.db2.gz GBGMTONVLMEQNC-UHFFFAOYSA-N -1 3 323.295 4.678 20 0 DJADHM Cc1nc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)c(C)o1 ZINC000551405394 341340785 /nfs/dbraw/zinc/34/07/85/341340785.db2.gz YSAOJJJUBXNCRP-UHFFFAOYSA-N -1 3 324.833 4.698 20 0 DJADHM Cc1cscc1-c1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000574049380 341747049 /nfs/dbraw/zinc/74/70/49/341747049.db2.gz GQKUMZIAGADABU-UHFFFAOYSA-N -1 3 321.814 4.970 20 0 DJADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cccc([O-])c1Cl ZINC000336889503 525628778 /nfs/dbraw/zinc/62/87/78/525628778.db2.gz GFXOVPYCSPNAEE-CQSZACIVSA-N -1 3 319.832 4.750 20 0 DJADHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000006348393 181333268 /nfs/dbraw/zinc/33/32/68/181333268.db2.gz MQIHGGWTALGTIR-ZDUSSCGKSA-N -1 3 317.454 4.618 20 0 DJADHM O=C(Nc1cccc2cc[nH]c21)c1cc2cc(Cl)sc2[n-]1 ZINC000562914525 332641002 /nfs/dbraw/zinc/64/10/02/332641002.db2.gz WBVMEHBXODMLMN-UHFFFAOYSA-N -1 3 315.785 4.616 20 0 DJADHM CSc1ccccc1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000522738569 333183237 /nfs/dbraw/zinc/18/32/37/333183237.db2.gz ITNVXYCZWROMJS-UHFFFAOYSA-N -1 3 301.342 4.546 20 0 DJADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000531419018 333350678 /nfs/dbraw/zinc/35/06/78/333350678.db2.gz JRFJJEGOPLVQKH-ZETCQYMHSA-N -1 3 316.209 4.503 20 0 DJADHM Cc1ccc([O-])c(CNc2ccc(Oc3ccccc3)cc2)n1 ZINC000320751852 335135501 /nfs/dbraw/zinc/13/55/01/335135501.db2.gz CHSKUXQJRLTUMX-UHFFFAOYSA-N -1 3 306.365 4.500 20 0 DJADHM CCC(=O)Nc1ccc(-c2csc(-c3ccccc3[O-])n2)cc1 ZINC000104113724 336244839 /nfs/dbraw/zinc/24/48/39/336244839.db2.gz NBTFSESYGNDSRC-UHFFFAOYSA-N -1 3 324.405 4.531 20 0 DJADHM Cc1ccc(F)cc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000324866918 336267144 /nfs/dbraw/zinc/26/71/44/336267144.db2.gz BKMZTEZAIFEULK-UHFFFAOYSA-N -1 3 320.323 4.710 20 0 DJADHM CCCc1nc(C)c(C(=O)[N-]c2cc(Cl)ccc2SC)o1 ZINC000432771438 338167056 /nfs/dbraw/zinc/16/70/56/338167056.db2.gz LFXCEMISZLVWHX-UHFFFAOYSA-N -1 3 324.833 4.563 20 0 DJADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1sccc1C1CC1 ZINC000432989402 338175507 /nfs/dbraw/zinc/17/55/07/338175507.db2.gz QKCNGFMSMWZVJJ-UHFFFAOYSA-N -1 3 324.405 4.841 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccsc2Cl)CC)n1 ZINC000435335628 338237171 /nfs/dbraw/zinc/23/71/71/338237171.db2.gz JRPXOBOJWPUVTG-CSKARUKUSA-N -1 3 308.834 4.800 20 0 DJADHM Cc1ccc2c(C(=O)N3CCCc4cccc([O-])c43)csc2c1 ZINC000435798761 338249665 /nfs/dbraw/zinc/24/96/65/338249665.db2.gz JPGLWRJYCGOIRW-UHFFFAOYSA-N -1 3 323.417 4.508 20 0 DJADHM CC(C)c1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000435815317 338250214 /nfs/dbraw/zinc/25/02/14/338250214.db2.gz CCUCJOFECKERQF-UHFFFAOYSA-N -1 3 311.410 4.514 20 0 DJADHM CC(C)c1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000435815317 338250215 /nfs/dbraw/zinc/25/02/15/338250215.db2.gz CCUCJOFECKERQF-UHFFFAOYSA-N -1 3 311.410 4.514 20 0 DJADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([O-])c1C ZINC000436753550 338285523 /nfs/dbraw/zinc/28/55/23/338285523.db2.gz DWZCHVUGQGFBMK-AWEZNQCLSA-N -1 3 323.392 4.588 20 0 DJADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([O-])c1C ZINC000436753551 338285589 /nfs/dbraw/zinc/28/55/89/338285589.db2.gz DWZCHVUGQGFBMK-CQSZACIVSA-N -1 3 323.392 4.588 20 0 DJADHM Cc1ccc(S[C@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767154 338286493 /nfs/dbraw/zinc/28/64/93/338286493.db2.gz FTPCVOYFYXJCJU-GFCCVEGCSA-N -1 3 312.394 4.604 20 0 DJADHM Cc1cccc(-c2nc(-c3c(Cl)cccc3Cl)no2)c1[O-] ZINC000436892404 338292114 /nfs/dbraw/zinc/29/21/14/338292114.db2.gz LLPJELKYGGQZNW-UHFFFAOYSA-N -1 3 321.163 4.724 20 0 DJADHM CC(C)c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c([O-])c1 ZINC000436894393 338292364 /nfs/dbraw/zinc/29/23/64/338292364.db2.gz QYSVUTLSBHVKBT-UHFFFAOYSA-N -1 3 319.364 4.714 20 0 DJADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1[O-] ZINC000439398867 338368385 /nfs/dbraw/zinc/36/83/85/338368385.db2.gz SAVGLAUJLPBVGI-JTQLQIEISA-N -1 3 324.207 4.750 20 0 DJADHM C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)c2c([O-])cccc21 ZINC000468783240 339270718 /nfs/dbraw/zinc/27/07/18/339270718.db2.gz BHSOEXVGVXKPGD-GFCCVEGCSA-N -1 3 323.417 4.761 20 0 DJADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cncc(F)c1 ZINC000469120594 339280776 /nfs/dbraw/zinc/28/07/76/339280776.db2.gz WKWSAEYDKXRIME-UHFFFAOYSA-N -1 3 324.808 4.627 20 0 DJADHM Cc1cccc2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)oc21 ZINC000469177928 339282189 /nfs/dbraw/zinc/28/21/89/339282189.db2.gz YHWVARCPJNNCTR-GFCCVEGCSA-N -1 3 321.376 4.601 20 0 DJADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1Cl ZINC000469260827 339284545 /nfs/dbraw/zinc/28/45/45/339284545.db2.gz ROQWVBUPEFMCBM-LLVKDONJSA-N -1 3 315.800 4.508 20 0 DJADHM C[C@H]1CCN(C(=O)CC/C=C\c2ccccc2)c2c([O-])cccc21 ZINC000469336826 339286477 /nfs/dbraw/zinc/28/64/77/339286477.db2.gz SEISPXXPZSUVCS-AVFOEOQDSA-N -1 3 321.420 4.726 20 0 DJADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1Cl ZINC000472048687 339360883 /nfs/dbraw/zinc/36/08/83/339360883.db2.gz RUINDRAFRFYNRK-SECBINFHSA-N -1 3 314.187 4.689 20 0 DJADHM C[C@@H]1C[C@H]1[C@H](NCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000472064386 339361835 /nfs/dbraw/zinc/36/18/35/339361835.db2.gz RZSRDNBWDVRYHV-HWOJHCLVSA-N -1 3 319.807 4.672 20 0 DJADHM [O-]c1cc(F)cc(CNc2cccc(C(F)F)c2Cl)c1 ZINC000472067491 339362110 /nfs/dbraw/zinc/36/21/10/339362110.db2.gz HLKABXJUEZJBLY-UHFFFAOYSA-N -1 3 301.695 4.734 20 0 DJADHM CSc1cccc(C)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000472240705 339367185 /nfs/dbraw/zinc/36/71/85/339367185.db2.gz NNZPRVJZWAAJQQ-UHFFFAOYSA-N -1 3 324.405 4.624 20 0 DJADHM CC(C)c1ccc(/C=C/CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000478279746 339512389 /nfs/dbraw/zinc/51/23/89/339512389.db2.gz AHXRLSTVCBWHDH-ONEGZZNKSA-N -1 3 313.372 4.697 20 0 DJADHM CCSc1cccc(F)c1[N-]C(=O)c1sccc1CC ZINC000484929145 339695892 /nfs/dbraw/zinc/69/58/92/339695892.db2.gz WMVTZGKFCNJXFL-UHFFFAOYSA-N -1 3 309.431 4.814 20 0 DJADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000490734064 339838908 /nfs/dbraw/zinc/83/89/08/339838908.db2.gz OIFVONNJBIFZDI-JTQLQIEISA-N -1 3 324.207 4.750 20 0 DJADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000508423404 340243571 /nfs/dbraw/zinc/24/35/71/340243571.db2.gz CSCJZJNNXLLEPZ-UHFFFAOYSA-N -1 3 324.833 4.734 20 0 DJADHM O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc([O-])c1 ZINC000508787475 340253193 /nfs/dbraw/zinc/25/31/93/340253193.db2.gz XVEWGHZKEHLLFN-UHFFFAOYSA-N -1 3 303.317 4.544 20 0 DJADHM Cc1cc(C)cc(Cc2nc(=O)c3c4ccccc4sc3[n-]2)c1 ZINC000510628489 340304304 /nfs/dbraw/zinc/30/43/04/340304304.db2.gz IPQKAPVAMGHMPP-UHFFFAOYSA-N -1 3 320.417 4.758 20 0 DJADHM CC[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000303142186 340305225 /nfs/dbraw/zinc/30/52/25/340305225.db2.gz BJWLHLDLGLZRFJ-GFCCVEGCSA-N -1 3 303.789 4.568 20 0 DJADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])sc2cccc(F)c12 ZINC000302837829 340631208 /nfs/dbraw/zinc/63/12/08/340631208.db2.gz OSDQITMCEVYOQM-UHFFFAOYSA-N -1 3 315.369 4.615 20 0 DJADHM O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccccc2)cc1 ZINC000129633519 340977948 /nfs/dbraw/zinc/97/79/48/340977948.db2.gz OSNCPJJWUAHIGH-UHFFFAOYSA-N -1 3 323.323 4.576 20 0 DJADHM CSc1ccsc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000081458060 341291395 /nfs/dbraw/zinc/29/13/95/341291395.db2.gz IHWXSCXNPKKFAL-UHFFFAOYSA-N -1 3 321.467 4.725 20 0 DJADHM CC[C@@H](C(=O)Nc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000084382843 341359508 /nfs/dbraw/zinc/35/95/08/341359508.db2.gz BEUHVFYNOFRYJI-CYBMUJFWSA-N -1 3 323.314 4.543 20 0 DJADHM O=C(CC1CC(c2ccccc2)C1)Nc1c([O-])cccc1Cl ZINC000552435393 341393557 /nfs/dbraw/zinc/39/35/57/341393557.db2.gz FGRQHUALZRQJLL-UHFFFAOYSA-N -1 3 315.800 4.568 20 0 DJADHM C[C@H](NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000153392908 341538317 /nfs/dbraw/zinc/53/83/17/341538317.db2.gz UNQGMTYBMJOSQW-VIFPVBQESA-N -1 3 314.187 4.689 20 0 DJADHM CCc1c(C)sc2[n-]c(-c3ccc(Cl)s3)nc(=O)c12 ZINC000518458678 332052131 /nfs/dbraw/zinc/05/21/31/332052131.db2.gz IWIXBVFZXNYINQ-UHFFFAOYSA-N -1 3 310.831 4.650 20 0 DJADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c([O-])c1 ZINC000518726404 332137534 /nfs/dbraw/zinc/13/75/34/332137534.db2.gz MXHWQBBMWPSBHQ-MSOLQXFVSA-N -1 3 317.388 4.596 20 0 DJADHM CC(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000188758170 333054667 /nfs/dbraw/zinc/05/46/67/333054667.db2.gz OSSLRGGTKYASQJ-UHFFFAOYSA-N -1 3 307.752 4.560 20 0 DJADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cc(F)ccc2s1 ZINC000216722719 333206729 /nfs/dbraw/zinc/20/67/29/333206729.db2.gz OQMASIQOZPIMND-UHFFFAOYSA-N -1 3 321.760 4.652 20 0 DJADHM Cc1cc(Cl)cc(NC(=O)c2sccc2C2CC2)c1[O-] ZINC000533970895 333552495 /nfs/dbraw/zinc/55/24/95/333552495.db2.gz YRTXZNMLEWALJR-UHFFFAOYSA-N -1 3 307.802 4.545 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(SC)s2)CC)n1 ZINC000414064429 333888608 /nfs/dbraw/zinc/88/86/08/333888608.db2.gz DTTAUBSSOYSEDG-LUAWRHEFSA-N -1 3 320.483 4.869 20 0 DJADHM O=C([N-]c1ccsc1Cl)c1cc(-c2ccccc2)ns1 ZINC000438574076 334129637 /nfs/dbraw/zinc/12/96/37/334129637.db2.gz RNEVUFJMKCEPIS-UHFFFAOYSA-N -1 3 320.826 4.777 20 0 DJADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cc([O-])cc(F)c1 ZINC000351988963 336186112 /nfs/dbraw/zinc/18/61/12/336186112.db2.gz ODKFMAWCAYQQJL-LBPRGKRZSA-N -1 3 322.449 4.613 20 0 DJADHM Cc1cc(F)ccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000325283539 336282375 /nfs/dbraw/zinc/28/23/75/336282375.db2.gz PWPYXURAHKCUSC-UHFFFAOYSA-N -1 3 320.323 4.710 20 0 DJADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1sccc1Cl ZINC000582509374 337099624 /nfs/dbraw/zinc/09/96/24/337099624.db2.gz APPXCWLWPUZBDC-UHFFFAOYSA-N -1 3 308.136 4.585 20 0 DJADHM CC[C@@H](CC(F)F)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000420504620 337505018 /nfs/dbraw/zinc/50/50/18/337505018.db2.gz OJPWJCGNWIDZMA-JTQLQIEISA-N -1 3 318.323 4.744 20 0 DJADHM CCN(C(=O)c1cccc(C)c1[O-])c1cccc2ccccc21 ZINC000319835003 337582102 /nfs/dbraw/zinc/58/21/02/337582102.db2.gz NXFDAAJFAUKSAH-UHFFFAOYSA-N -1 3 305.377 4.521 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)ccc2F)CC)n1 ZINC000435338861 338237506 /nfs/dbraw/zinc/23/75/06/338237506.db2.gz KSNRGAXKICRTFX-DHZHZOJOSA-N -1 3 320.795 4.878 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)cc2Cl)CC)n1 ZINC000435340453 338237583 /nfs/dbraw/zinc/23/75/83/338237583.db2.gz IBKNGHRZTOMTPD-FLIBITNWSA-N -1 3 320.795 4.878 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)cc2Cl)CC)n1 ZINC000435340452 338237651 /nfs/dbraw/zinc/23/76/51/338237651.db2.gz IBKNGHRZTOMTPD-DHZHZOJOSA-N -1 3 320.795 4.878 20 0 DJADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(F)cc2F)no1 ZINC000436531993 338275592 /nfs/dbraw/zinc/27/55/92/338275592.db2.gz JFBPESOMYHABBC-UHFFFAOYSA-N -1 3 324.286 4.541 20 0 DJADHM Cc1cscc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436609189 338279855 /nfs/dbraw/zinc/27/98/55/338279855.db2.gz ICFQGSBUKBYOFX-UHFFFAOYSA-N -1 3 308.362 4.632 20 0 DJADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cccc(C)c1[O-] ZINC000436710812 338283642 /nfs/dbraw/zinc/28/36/42/338283642.db2.gz ZMQQMLFXGWWHRP-UHFFFAOYSA-N -1 3 319.404 4.516 20 0 DJADHM [O-]c1ccc(-c2noc(-c3cscc3-c3ccccc3)n2)cc1 ZINC000436949396 338295355 /nfs/dbraw/zinc/29/53/55/338295355.db2.gz RUVDTHHVMJPDAZ-UHFFFAOYSA-N -1 3 320.373 4.838 20 0 DJADHM Cc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000438880745 338354683 /nfs/dbraw/zinc/35/46/83/338354683.db2.gz CEHYTYYOMJOLKJ-UHFFFAOYSA-N -1 3 309.409 4.613 20 0 DJADHM CC[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000440989701 338400527 /nfs/dbraw/zinc/40/05/27/338400527.db2.gz LZKRQCIGAYJJDV-CYBMUJFWSA-N -1 3 323.314 4.543 20 0 DJADHM Cc1oc2ccccc2c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000468002824 339250874 /nfs/dbraw/zinc/25/08/74/339250874.db2.gz GQRJCWDUZXYRLO-UHFFFAOYSA-N -1 3 315.756 4.661 20 0 DJADHM CC(C)c1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468344213 339260164 /nfs/dbraw/zinc/26/01/64/339260164.db2.gz PAOQKKLFLVMZTQ-UHFFFAOYSA-N -1 3 315.388 4.616 20 0 DJADHM C[C@@H](CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469201660 339282927 /nfs/dbraw/zinc/28/29/27/339282927.db2.gz LYVKXPSYMPNZRB-JKSUJKDBSA-N -1 3 323.436 4.816 20 0 DJADHM Cc1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1Cl ZINC000469271603 339284739 /nfs/dbraw/zinc/28/47/39/339284739.db2.gz WVONXXJUXZOBMN-NSHDSACASA-N -1 3 315.800 4.508 20 0 DJADHM [O-]c1cc(F)cc(CNc2cccc(N3CCCCCC3)c2)c1 ZINC000472066252 339361852 /nfs/dbraw/zinc/36/18/52/339361852.db2.gz REZDNLJHTOKTSY-UHFFFAOYSA-N -1 3 314.404 4.524 20 0 DJADHM CCN(C(=O)c1cc2cc(Cl)sc2[n-]1)c1ccc(F)cc1 ZINC000485691944 339709520 /nfs/dbraw/zinc/70/95/20/339709520.db2.gz YKFFFVUXIYDVNA-UHFFFAOYSA-N -1 3 322.792 4.689 20 0 DJADHM Cc1cccc([O-])c1NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000490708885 339838103 /nfs/dbraw/zinc/83/81/03/339838103.db2.gz KWEMSNNPOFXGNO-UHFFFAOYSA-N -1 3 322.408 4.564 20 0 DJADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc(F)cn1 ZINC000499858733 340045993 /nfs/dbraw/zinc/04/59/93/340045993.db2.gz SMZSRGZCJNILKW-UHFFFAOYSA-N -1 3 324.808 4.627 20 0 DJADHM [O-]c1ccc(F)c(CNc2cccc(C(F)F)c2Cl)c1F ZINC000512470144 340363081 /nfs/dbraw/zinc/36/30/81/340363081.db2.gz WDBGOTUYIIEQTB-UHFFFAOYSA-N -1 3 319.685 4.874 20 0 DJADHM Cc1ccc([O-])c(CNc2ccccc2SC2CCCC2)n1 ZINC000237768910 340673886 /nfs/dbraw/zinc/67/38/86/340673886.db2.gz QSOPJHDWSFCXHL-UHFFFAOYSA-N -1 3 314.454 4.742 20 0 DJADHM [O-]c1cccc(CNC(c2ccccc2)c2ccccc2)c1Cl ZINC000328315715 340775535 /nfs/dbraw/zinc/77/55/35/340775535.db2.gz GQNVHTWUEJLIRP-UHFFFAOYSA-N -1 3 323.823 4.925 20 0 DJADHM CCC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000069693294 340976930 /nfs/dbraw/zinc/97/69/30/340976930.db2.gz YHIPUUZWWRLCFN-AWEZNQCLSA-N -1 3 303.789 4.568 20 0 DJADHM CCC(CC)c1cc(C(=O)[N-]c2cc(Cl)ccc2F)on1 ZINC000130618786 341033660 /nfs/dbraw/zinc/03/36/60/341033660.db2.gz VBDWSQZBVASVGY-UHFFFAOYSA-N -1 3 310.756 4.623 20 0 DJADHM Cc1ccc(-c2ccsc2C(=O)Nc2ccccc2[O-])cc1 ZINC000073906593 341123145 /nfs/dbraw/zinc/12/31/45/341123145.db2.gz ADASOBBLCUXHMV-UHFFFAOYSA-N -1 3 309.390 4.681 20 0 DJADHM CSc1ccccc1[N-]C(=O)c1oc(-c2ccccc2)nc1C ZINC000081238208 341282608 /nfs/dbraw/zinc/28/26/08/341282608.db2.gz WCFQZBQUZIKNRX-UHFFFAOYSA-N -1 3 324.405 4.624 20 0 DJADHM CC[C@H](C(=O)Nc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000084382839 341359475 /nfs/dbraw/zinc/35/94/75/341359475.db2.gz BEUHVFYNOFRYJI-ZDUSSCGKSA-N -1 3 323.314 4.543 20 0 DJADHM CC(C)c1ccoc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000552594316 341400023 /nfs/dbraw/zinc/40/00/23/341400023.db2.gz NAWFJESQSAQLLB-UHFFFAOYSA-N -1 3 301.386 4.658 20 0 DJADHM CSc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000555146143 341476061 /nfs/dbraw/zinc/47/60/61/341476061.db2.gz ZYMPHVIDDYKZPT-UHFFFAOYSA-N -1 3 322.842 4.857 20 0 DJADHM O=C(Nc1cccc(C2CCC2)c1)c1cc([O-])ccc1Cl ZINC000568102697 341651432 /nfs/dbraw/zinc/65/14/32/341651432.db2.gz LQTAYDYWNSJYDM-UHFFFAOYSA-N -1 3 301.773 4.565 20 0 DJADHM COc1ccccc1SCc1ccc([O-])c2nc(C)ccc12 ZINC000427254233 332189329 /nfs/dbraw/zinc/18/93/29/332189329.db2.gz XRSPRPPRDXWNJS-UHFFFAOYSA-N -1 3 311.406 4.550 20 0 DJADHM CSc1ccccc1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000525630525 332349484 /nfs/dbraw/zinc/34/94/84/332349484.db2.gz XOTQZRMZULJKMA-UHFFFAOYSA-N -1 3 324.405 4.624 20 0 DJADHM C[C@@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)c1ccc([O-])cc1 ZINC000487420260 333135136 /nfs/dbraw/zinc/13/51/36/333135136.db2.gz MDMLDXCCHDNSGR-YEJXKQKISA-N -1 3 302.439 4.559 20 0 DJADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccsc3Cl)on2)cc1 ZINC000186963138 333382405 /nfs/dbraw/zinc/38/24/05/333382405.db2.gz SCOTWKSLXWJHAV-UHFFFAOYSA-N -1 3 318.785 4.617 20 0 DJADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(-c2ccoc2)c1 ZINC000534811680 334338011 /nfs/dbraw/zinc/33/80/11/334338011.db2.gz XRSSPGOEYHRXMM-UHFFFAOYSA-N -1 3 313.740 4.558 20 0 DJADHM CC(C)Cc1csc2[n-]c([C@@H]3CCCCS3)nc(=O)c12 ZINC000342258500 334528043 /nfs/dbraw/zinc/52/80/43/334528043.db2.gz RLQWNYHYKAZMKH-NSHDSACASA-N -1 3 308.472 4.554 20 0 DJADHM [O-]c1ccc(Br)c(CNc2ccc3ccoc3c2)c1 ZINC000442993695 336227795 /nfs/dbraw/zinc/22/77/95/336227795.db2.gz PCAQAPTUQXSKKP-UHFFFAOYSA-N -1 3 318.170 4.513 20 0 DJADHM CSCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525918035 337265709 /nfs/dbraw/zinc/26/57/09/337265709.db2.gz YVHXJRYVDJKNRB-UHFFFAOYSA-N -1 3 323.417 4.661 20 0 DJADHM C[C@H](c1cccs1)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436607100 338279704 /nfs/dbraw/zinc/27/97/04/338279704.db2.gz HVYWXGRLBKLWBE-LLVKDONJSA-N -1 3 322.389 4.809 20 0 DJADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436734698 338284596 /nfs/dbraw/zinc/28/45/96/338284596.db2.gz BRCLPHYSLJHQOC-CRAIPNDOSA-N -1 3 323.436 4.534 20 0 DJADHM Cc1ccc(S[C@@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767156 338286675 /nfs/dbraw/zinc/28/66/75/338286675.db2.gz FTPCVOYFYXJCJU-LBPRGKRZSA-N -1 3 312.394 4.604 20 0 DJADHM Cc1ccc([O-])c(-c2nc(-c3c(Cl)cccc3Cl)no2)c1 ZINC000436891162 338292206 /nfs/dbraw/zinc/29/22/06/338292206.db2.gz HUNWGIDCJJZACO-UHFFFAOYSA-N -1 3 321.163 4.724 20 0 DJADHM C[C@H](c1cccs1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436936272 338294408 /nfs/dbraw/zinc/29/44/08/338294408.db2.gz ANDHNQIWIZCPRA-LLVKDONJSA-N -1 3 322.389 4.809 20 0 DJADHM COc1cc(C)ccc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436951099 338295444 /nfs/dbraw/zinc/29/54/44/338295444.db2.gz PLYYBIVBERNSSV-UHFFFAOYSA-N -1 3 324.380 4.550 20 0 DJADHM Cc1ccc(-c2nc([C@H](C)c3ccccc3C)no2)c([O-])c1C ZINC000436954733 338295657 /nfs/dbraw/zinc/29/56/57/338295657.db2.gz APWLPJQXSZJFAL-CQSZACIVSA-N -1 3 308.381 4.519 20 0 DJADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000195622862 338911579 /nfs/dbraw/zinc/91/15/79/338911579.db2.gz DMVZNZLZYNLGRQ-AWEZNQCLSA-N -1 3 323.392 4.670 20 0 DJADHM CCSc1cc(Cl)ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000461199807 339060236 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CCC(CC)c1cc(C(=O)[N-]c2ncc(C(C)(C)C)s2)on1 ZINC000464103976 339134521 /nfs/dbraw/zinc/13/45/21/339134521.db2.gz JHUSGWCNSMUMOS-UHFFFAOYSA-N -1 3 321.446 4.585 20 0 DJADHM Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000469270560 339284800 /nfs/dbraw/zinc/28/48/00/339284800.db2.gz LRMBBFZCUQACKR-LLVKDONJSA-N -1 3 315.800 4.508 20 0 DJADHM CSc1ccccc1[N-]C(=O)c1cc(C)oc1C(F)(F)F ZINC000471349213 339343323 /nfs/dbraw/zinc/34/33/23/339343323.db2.gz CLOPIVAWZWBXAV-UHFFFAOYSA-N -1 3 315.316 4.581 20 0 DJADHM Cc1csc(-c2ccc(NCc3cc([O-])cc(F)c3)cc2)n1 ZINC000472046400 339360504 /nfs/dbraw/zinc/36/05/04/339360504.db2.gz CUUAWDNLEMQFNI-UHFFFAOYSA-N -1 3 314.385 4.575 20 0 DJADHM [O-]c1cc(F)cc(CN[C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000472053545 339361126 /nfs/dbraw/zinc/36/11/26/339361126.db2.gz QHRQSHNUELTEFV-IBGZPJMESA-N -1 3 317.379 4.692 20 0 DJADHM C[C@@H]1C[C@H]1[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000472064384 339361864 /nfs/dbraw/zinc/36/18/64/339361864.db2.gz 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CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000006348384 181333379 /nfs/dbraw/zinc/33/33/79/181333379.db2.gz MQIHGGWTALGTIR-CYBMUJFWSA-N -1 3 317.454 4.618 20 0 DJADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1[O-] ZINC000016483039 182046833 /nfs/dbraw/zinc/04/68/33/182046833.db2.gz VDMYKKWAXGSUSE-UHFFFAOYSA-N -1 3 317.388 4.553 20 0 DJADHM COc1ccc(C(F)(F)F)cc1-c1cc([O-])cc(Cl)c1 ZINC000065343648 184325538 /nfs/dbraw/zinc/32/55/38/184325538.db2.gz MSONTEKYUKOZHN-UHFFFAOYSA-N -1 3 302.679 4.740 20 0 DJADHM CC(C)c1ccccc1N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000426170269 332146498 /nfs/dbraw/zinc/14/64/98/332146498.db2.gz ADGWAAWILXIAJH-UHFFFAOYSA-N -1 3 319.404 4.945 20 0 DJADHM O=C(CCCc1csc2ccccc12)Nc1ccccc1[O-] ZINC000531039672 332224882 /nfs/dbraw/zinc/22/48/82/332224882.db2.gz FZPXIEYVQCKDAR-UHFFFAOYSA-N -1 3 311.406 4.568 20 0 DJADHM Cc1cccc([O-])c1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000560831476 332389411 /nfs/dbraw/zinc/38/94/11/332389411.db2.gz WGDCZASZOSYOJR-UHFFFAOYSA-N -1 3 311.425 4.569 20 0 DJADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000562856307 332633139 /nfs/dbraw/zinc/63/31/39/332633139.db2.gz BYJVYQHHPWDRGP-OAHLLOKOSA-N -1 3 311.425 4.641 20 0 DJADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cccc([O-])c1 ZINC000182164163 333149989 /nfs/dbraw/zinc/14/99/89/333149989.db2.gz ATQUDPZAHPLOQT-UHFFFAOYSA-N -1 3 323.323 4.576 20 0 DJADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1csc(Cl)c1 ZINC000188069445 333158566 /nfs/dbraw/zinc/15/85/66/333158566.db2.gz AVAFPKXMJMZQEW-UHFFFAOYSA-N -1 3 318.785 4.617 20 0 DJADHM [O-]c1cc(F)cc(CN[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000184138104 333342393 /nfs/dbraw/zinc/34/23/93/333342393.db2.gz HWXKZHLHOMZNMX-HNNXBMFYSA-N -1 3 323.820 4.511 20 0 DJADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000531418924 333350723 /nfs/dbraw/zinc/35/07/23/333350723.db2.gz JRFJJEGOPLVQKH-SSDOTTSWSA-N -1 3 316.209 4.503 20 0 DJADHM CC(C)c1ccc([C@H](C)CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000534209300 333568603 /nfs/dbraw/zinc/56/86/03/333568603.db2.gz LRIUQIJQYPWLAX-CYBMUJFWSA-N -1 3 315.388 4.787 20 0 DJADHM Cc1ccc(-c2nc(C(=O)[N-]c3ccsc3Cl)cs2)o1 ZINC000187842242 334274470 /nfs/dbraw/zinc/27/44/70/334274470.db2.gz CQWRMYNEQAMEKC-UHFFFAOYSA-N -1 3 324.814 4.679 20 0 DJADHM CC(C)Sc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111211308 334306768 /nfs/dbraw/zinc/30/67/68/334306768.db2.gz FMHOURALRMARJP-UHFFFAOYSA-N -1 3 321.829 4.798 20 0 DJADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(F)ccc1F ZINC000049305694 334325108 /nfs/dbraw/zinc/32/51/08/334325108.db2.gz IZZOXKUHSXKAQY-UHFFFAOYSA-N -1 3 313.756 4.592 20 0 DJADHM O=C(Nc1cccc([O-])c1F)c1cc2c(s1)CCCCCC2 ZINC000535657679 335710214 /nfs/dbraw/zinc/71/02/14/335710214.db2.gz GYKGVABHEJLHBQ-UHFFFAOYSA-N -1 3 319.401 4.504 20 0 DJADHM O=C([N-]c1cc(F)c(F)cc1F)c1occc1-c1ccccc1 ZINC000104479120 336255042 /nfs/dbraw/zinc/25/50/42/336255042.db2.gz BACFGOMAFOADAZ-UHFFFAOYSA-N -1 3 317.266 4.616 20 0 DJADHM CC(C)Sc1ccccc1[N-]C(=O)c1cc(F)ccc1F ZINC000122082003 337906053 /nfs/dbraw/zinc/90/60/53/337906053.db2.gz 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O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc2ccccc21 ZINC000468534039 339265641 /nfs/dbraw/zinc/26/56/41/339265641.db2.gz AWYNPGUQYGBEAE-UHFFFAOYSA-N -1 3 323.367 4.646 20 0 DJADHM C[C@@H](CCC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469201624 339282905 /nfs/dbraw/zinc/28/29/05/339282905.db2.gz LYVKXPSYMPNZRB-HOTGVXAUSA-N -1 3 323.436 4.816 20 0 DJADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1Cl ZINC000469310282 339285752 /nfs/dbraw/zinc/28/57/52/339285752.db2.gz VOSAQRPUGUXJBU-LLVKDONJSA-N -1 3 315.800 4.508 20 0 DJADHM C[C@@H]1CCN(C(=O)CC/C=C\c2ccccc2)c2c([O-])cccc21 ZINC000469336831 339286461 /nfs/dbraw/zinc/28/64/61/339286461.db2.gz SEISPXXPZSUVCS-MGDKSHQASA-N -1 3 321.420 4.726 20 0 DJADHM CC(C)(C)c1nc2cc(NCc3cc([O-])cc(F)c3)ccc2o1 ZINC000472046186 339360522 /nfs/dbraw/zinc/36/05/22/339360522.db2.gz AMZPZBICTAEDFU-UHFFFAOYSA-N -1 3 314.360 4.582 20 0 DJADHM CN(c1ccccc1NCc1cc([O-])cc(F)c1)C1CCCC1 ZINC000472078632 339362814 /nfs/dbraw/zinc/36/28/14/339362814.db2.gz PJOVYHMPENSFBM-UHFFFAOYSA-N -1 3 314.404 4.522 20 0 DJADHM O=c1ccnc(C(=Cc2ccccc2Cl)Cc2ccccc2)[n-]1 ZINC000477411897 339494186 /nfs/dbraw/zinc/49/41/86/339494186.db2.gz JVTSDJIXFKYSTA-DTQAZKPQSA-N -1 3 322.795 4.619 20 0 DJADHM Cc1cccc(C)c1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000486605143 339729823 /nfs/dbraw/zinc/72/98/23/339729823.db2.gz SLUXOCUPDVCMIB-UHFFFAOYSA-N -1 3 304.802 4.752 20 0 DJADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1c(C)cccc1[O-] ZINC000489972044 339822630 /nfs/dbraw/zinc/82/26/30/339822630.db2.gz LVFJWTIVRVFXAT-LSDHHAIUSA-N -1 3 309.409 4.629 20 0 DJADHM CC(C)(C)c1ccc(NC(=O)CC(C)(C)C(F)(F)F)c([O-])c1 ZINC000501943476 340091220 /nfs/dbraw/zinc/09/12/20/340091220.db2.gz CXTOTTGWRSVYEI-UHFFFAOYSA-N -1 3 317.351 4.607 20 0 DJADHM O=C(Nc1cccc2ccsc21)c1c[n-]nc1-c1ccccc1 ZINC000502924000 340116833 /nfs/dbraw/zinc/11/68/33/340116833.db2.gz QGOIESIWLXNBAF-UHFFFAOYSA-N -1 3 319.389 4.544 20 0 DJADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cccc([O-])c1 ZINC000508604595 340247751 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ZINC000006240405 181322066 /nfs/dbraw/zinc/32/20/66/181322066.db2.gz IUUORBUIUFBEQI-UHFFFAOYSA-N -1 3 316.571 4.605 20 0 DJADHM Cc1oc(CN(C)CC2CCC(C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000563816842 335028560 /nfs/dbraw/zinc/02/85/60/335028560.db2.gz QKNWAWYWIWSTSM-UHFFFAOYSA-N -1 3 321.461 4.571 20 0 DJADHM Cc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c(F)c1 ZINC000570867578 332831702 /nfs/dbraw/zinc/83/17/02/332831702.db2.gz LNCNGEPERSZDLC-UHFFFAOYSA-N -1 3 308.765 4.583 20 0 DJADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(Cl)s1 ZINC000533616064 331607749 /nfs/dbraw/zinc/60/77/49/331607749.db2.gz DCHWNFIEIHZCRV-SSDOTTSWSA-N -1 3 316.209 4.503 20 0 DJADHM O=c1nc(-c2ccc(Cl)s2)[n-]c2sc3ccccc3c21 ZINC000518458718 332052092 /nfs/dbraw/zinc/05/20/92/332052092.db2.gz OKOIBQUZPNFXHK-UHFFFAOYSA-N -1 3 318.810 4.932 20 0 DJADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000410091962 332087446 /nfs/dbraw/zinc/08/74/46/332087446.db2.gz UXAAAQDOOCVLLB-UHFFFAOYSA-N -1 3 315.756 4.661 20 0 DJADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([O-])c1 ZINC000518726409 332137574 /nfs/dbraw/zinc/13/75/74/332137574.db2.gz MXHWQBBMWPSBHQ-ZWKOTPCHSA-N -1 3 317.388 4.596 20 0 DJADHM Cc1ccccc1-c1csc([N-]C(=O)c2sccc2F)n1 ZINC000564740831 332581996 /nfs/dbraw/zinc/58/19/96/332581996.db2.gz HEHHJCYMIGIORD-UHFFFAOYSA-N -1 3 318.398 4.571 20 0 DJADHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000531460818 333409050 /nfs/dbraw/zinc/40/90/50/333409050.db2.gz OWECLCCLJOZMIV-UHFFFAOYSA-N -1 3 321.829 4.718 20 0 DJADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000430277861 334061228 /nfs/dbraw/zinc/06/12/28/334061228.db2.gz OATUMQZMEIPIHI-HNNXBMFYSA-N -1 3 311.425 4.641 20 0 DJADHM Cc1ccc(CNCCCCCCCCCCCC(=O)[O-])o1 ZINC000277040268 334086178 /nfs/dbraw/zinc/08/61/78/334086178.db2.gz QWLBXLOWBAOEMC-UHFFFAOYSA-N -1 3 309.450 4.663 20 0 DJADHM Cc1[nH]c2ccccc2c1-c1csc(-c2ccccc2[O-])n1 ZINC000111049797 334300699 /nfs/dbraw/zinc/30/06/99/334300699.db2.gz XIMCFILPLLPKNK-UHFFFAOYSA-N -1 3 306.390 4.972 20 0 DJADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cc(F)cc(F)c2)no1 ZINC000324714789 336250704 /nfs/dbraw/zinc/25/07/04/336250704.db2.gz CYKSJSYCWCZAJC-UHFFFAOYSA-N -1 3 324.286 4.541 20 0 DJADHM O=C([N-]c1ccsc1Cl)c1coc(C2CCCCC2)n1 ZINC000527092582 337317496 /nfs/dbraw/zinc/31/74/96/337317496.db2.gz AYMKNCCGPSIJGX-UHFFFAOYSA-N -1 3 310.806 4.690 20 0 DJADHM [O-]c1cccc(CN[C@@H](CC(F)F)c2ccccc2)c1Cl ZINC000421372352 337533226 /nfs/dbraw/zinc/53/32/26/337533226.db2.gz MFDLIWGMPOJOKX-ZDUSSCGKSA-N -1 3 311.759 4.532 20 0 DJADHM CCc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)oc1CC ZINC000537148154 337899730 /nfs/dbraw/zinc/89/97/30/337899730.db2.gz GYTBXFVVROBZRC-UHFFFAOYSA-N -1 3 313.731 4.588 20 0 DJADHM Cc1ccc([O-])c(CNc2ccc(C(C)(C)C(F)(F)F)cc2)n1 ZINC000428539351 338055739 /nfs/dbraw/zinc/05/57/39/338055739.db2.gz SFOQEEWOWMXWPN-UHFFFAOYSA-N -1 3 324.346 4.548 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)s2)CC)n1 ZINC000435338522 338237344 /nfs/dbraw/zinc/23/73/44/338237344.db2.gz GFFVQSXYJOOAOM-NTMALXAHSA-N -1 3 308.834 4.800 20 0 DJADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)cc2F)CC)n1 ZINC000435341495 338237663 /nfs/dbraw/zinc/23/76/63/338237663.db2.gz XZRNFTNWYYLURS-DHZHZOJOSA-N -1 3 320.795 4.878 20 0 DJADHM [O-]c1ccc(-c2noc([C@@H]3CC34CCCC4)n2)c2ccccc12 ZINC000436614369 338280216 /nfs/dbraw/zinc/28/02/16/338280216.db2.gz WUSAHXRSDCEWTB-HNNXBMFYSA-N -1 3 306.365 4.643 20 0 DJADHM Cc1sc(-c2ccccc2[O-])nc1-c1c(F)cc(F)cc1F ZINC000436750193 338285466 /nfs/dbraw/zinc/28/54/66/338285466.db2.gz WLSIVFIFRWANEN-UHFFFAOYSA-N -1 3 321.323 4.908 20 0 DJADHM Cc1cccc(C(=O)Nc2ccccc2-c2cccs2)c1[O-] ZINC000436753151 338285667 /nfs/dbraw/zinc/28/56/67/338285667.db2.gz CNSZWVOAODIIDG-UHFFFAOYSA-N -1 3 309.390 4.681 20 0 DJADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccccc1[O-] ZINC000436760484 338286274 /nfs/dbraw/zinc/28/62/74/338286274.db2.gz PSLNYOZMSFMSBJ-SNVBAGLBSA-N -1 3 324.207 4.532 20 0 DJADHM Cc1ccccc1[C@H](c1noc(-c2ccccc2[O-])n1)C(C)C ZINC000436884205 338291785 /nfs/dbraw/zinc/29/17/85/338291785.db2.gz AGIZCFBUMBDFDI-QGZVFWFLSA-N -1 3 308.381 4.539 20 0 DJADHM Cc1[nH]c2ccc(-c3noc(-c4cc(C)ccc4[O-])n3)cc2c1C ZINC000436918494 338293372 /nfs/dbraw/zinc/29/33/72/338293372.db2.gz IPCDMMZVJYFKTD-UHFFFAOYSA-N -1 3 319.364 4.516 20 0 DJADHM Cc1ccc(-c2nc([C@@H](C)c3ccccc3C)no2)c([O-])c1C ZINC000436954732 338295710 /nfs/dbraw/zinc/29/57/10/338295710.db2.gz APWLPJQXSZJFAL-AWEZNQCLSA-N -1 3 308.381 4.519 20 0 DJADHM CC(F)(F)C(C)(C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000453191695 338805307 /nfs/dbraw/zinc/80/53/07/338805307.db2.gz ZREVVJGVXKEEPK-UHFFFAOYSA-N -1 3 318.323 4.528 20 0 DJADHM C[C@H]1CCN(C(=O)c2cccc(C3CCC3)c2)c2c([O-])cccc21 ZINC000467574282 339242994 /nfs/dbraw/zinc/24/29/94/339242994.db2.gz GYCIIWBKIBJESP-AWEZNQCLSA-N -1 3 321.420 4.814 20 0 DJADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2ccsc21 ZINC000467991937 339250593 /nfs/dbraw/zinc/25/05/93/339250593.db2.gz BIRQEOUFXHLUKW-UHFFFAOYSA-N -1 3 303.770 4.513 20 0 DJADHM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)c2c([O-])cccc21 ZINC000469190514 339282517 /nfs/dbraw/zinc/28/25/17/339282517.db2.gz KASBPSWJUJURSZ-CQSZACIVSA-N -1 3 317.388 4.699 20 0 DJADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cncc(F)c1 ZINC000469222299 339283577 /nfs/dbraw/zinc/28/35/77/339283577.db2.gz MANHVMZVIKOWLA-UHFFFAOYSA-N -1 3 324.808 4.627 20 0 DJADHM Cc1ccc(/C=C\CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000469259445 339284569 /nfs/dbraw/zinc/28/45/69/339284569.db2.gz JUYOSCLPZJFURO-OICCZTGUSA-N -1 3 321.420 4.644 20 0 DJADHM C[C@@H]1CCN(C(=O)c2cc3ccccc3s2)c2c([O-])cccc21 ZINC000469305770 339285673 /nfs/dbraw/zinc/28/56/73/339285673.db2.gz UESMEPFURDHDGS-GFCCVEGCSA-N -1 3 323.417 4.761 20 0 DJADHM [O-]c1cc(F)cc(CN[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000472046802 339360731 /nfs/dbraw/zinc/36/07/31/339360731.db2.gz BTSQWJSKQCBHRC-OAQYLSRUSA-N -1 3 321.395 4.605 20 0 DJADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc(Cl)ccc1Cl ZINC000472079888 339362969 /nfs/dbraw/zinc/36/29/69/339362969.db2.gz XSLHXOVDMJFFOX-VIFPVBQESA-N -1 3 314.187 4.689 20 0 DJADHM CSCc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472495823 339372773 /nfs/dbraw/zinc/37/27/73/339372773.db2.gz IGJLJPFFIUCEFV-UHFFFAOYSA-N -1 3 323.417 4.661 20 0 DJADHM CCSc1cccc(F)c1[N-]C(=O)c1cc2c(s1)CCC2 ZINC000484922454 339695598 /nfs/dbraw/zinc/69/55/98/339695598.db2.gz RUOPDWPYDCQNEH-UHFFFAOYSA-N -1 3 321.442 4.740 20 0 DJADHM Cc1cccc2cc(C(=O)N3CCCc4cccc([O-])c43)sc21 ZINC000486896230 339737404 /nfs/dbraw/zinc/73/74/04/339737404.db2.gz GTAZENVPGQZAAR-UHFFFAOYSA-N -1 3 323.417 4.508 20 0 DJADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000490730141 339838746 /nfs/dbraw/zinc/83/87/46/339838746.db2.gz FRNPXJRMOPLZDA-LBPRGKRZSA-N -1 3 317.816 4.561 20 0 DJADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc(F)cn1 ZINC000503344443 340125816 /nfs/dbraw/zinc/12/58/16/340125816.db2.gz OJPJNQWBPWNZMJ-UHFFFAOYSA-N -1 3 324.808 4.627 20 0 DJADHM CSc1ccsc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506242771 340189478 /nfs/dbraw/zinc/18/94/78/340189478.db2.gz GKZBUWWSLPSTTF-UHFFFAOYSA-N -1 3 321.467 4.725 20 0 DJADHM C[C@@H](c1cc2ccccc2o1)N(C)Cc1c(F)ccc([O-])c1F ZINC000507109427 340207563 /nfs/dbraw/zinc/20/75/63/340207563.db2.gz DKVPAZQNYFABLO-NSHDSACASA-N -1 3 317.335 4.610 20 0 DJADHM [O-]c1ccc(F)c(CN[C@H](c2ccc(Cl)cc2)C2CC2)c1F ZINC000509605358 340274605 /nfs/dbraw/zinc/27/46/05/340274605.db2.gz YSJIHJPUUNFCDZ-KRWDZBQOSA-N -1 3 323.770 4.565 20 0 DJADHM Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000511491024 340328483 /nfs/dbraw/zinc/32/84/83/340328483.db2.gz NOFGDVBVMAWOMQ-UHFFFAOYSA-N -1 3 324.207 4.579 20 0 DJADHM CCOc1cc(CNc2ccc3c(c2)CCC3)cc(Cl)c1[O-] ZINC000512954489 340385480 /nfs/dbraw/zinc/38/54/80/340385480.db2.gz HXFMKSGPZOWVPD-UHFFFAOYSA-N -1 3 317.816 4.545 20 0 DJADHM CSc1cccc(C)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000184629882 340494623 /nfs/dbraw/zinc/49/46/23/340494623.db2.gz DZZADIBBOYXCPV-UHFFFAOYSA-N -1 3 324.405 4.624 20 0 DJADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c([O-])c1 ZINC000524612560 340659099 /nfs/dbraw/zinc/65/90/99/340659099.db2.gz YXTZSOUVNAORGW-MSOLQXFVSA-N -1 3 317.388 4.596 20 0 DJADHM O=C(CCCc1ccc2ccccc2c1)Nc1ccc([O-])cc1F ZINC000543034620 341028921 /nfs/dbraw/zinc/02/89/21/341028921.db2.gz PXHSFUKDBASQSD-UHFFFAOYSA-N -1 3 323.367 4.646 20 0 DJADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc2ccccc2s1 ZINC000072506421 341087656 /nfs/dbraw/zinc/08/76/56/341087656.db2.gz OTNVABZCRPJWLL-UHFFFAOYSA-N -1 3 307.296 4.571 20 0 DJADHM O=C(Nc1c([O-])cccc1Cl)c1csc2ccccc12 ZINC000552434609 341393614 /nfs/dbraw/zinc/39/36/14/341393614.db2.gz RHVSEKYJDSRWJM-UHFFFAOYSA-N -1 3 303.770 4.513 20 0 DJADHM Cc1c(CNCc2cccc([O-])c2Cl)oc2ccc(F)cc12 ZINC000339202351 525724344 /nfs/dbraw/zinc/72/43/44/525724344.db2.gz LCFUQTVZGPGACX-UHFFFAOYSA-N -1 3 319.763 4.529 20 0 DJADHM Cc1noc(C)c1C(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000105377591 526472920 /nfs/dbraw/zinc/47/29/20/526472920.db2.gz YNDCCRKYAHCAFC-UHFFFAOYSA-N -1 3 324.833 4.698 20 0 DJADHM