smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c([O-])ccc2ccccc21 ZINC000000032094 258047458 /nfs/dbraw/zinc/04/74/58/258047458.db2.gz CUFROPAPALHYCN-OEAKJJBVSA-N -1 3 341.414 5.099 50 30 EKEAHM Cc1ccc2sc(-c3ccc(/N=C/c4ccccc4[O-])cc3)nc2c1 ZINC000000058444 209394744 /nfs/dbraw/zinc/39/47/44/209394744.db2.gz FGIFLAXYTXEONF-LPYMAVHISA-N -1 3 344.439 5.728 50 30 EKEAHM Cc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1C ZINC000000058450 209394015 /nfs/dbraw/zinc/39/40/15/209394015.db2.gz HISNNKJTWUXPFT-YDZHTSKRSA-N -1 3 342.398 5.568 50 30 EKEAHM Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4[O-])cc3)oc2c1 ZINC000000058631 209394427 /nfs/dbraw/zinc/39/44/27/209394427.db2.gz NDOWSGYBSKWNCG-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl ZINC000000059103 209394823 /nfs/dbraw/zinc/39/48/23/209394823.db2.gz MJPMPZDJOLQOFR-IFRROFPPSA-N -1 3 334.124 5.468 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1cccc(Br)c1 ZINC000000061273 209394842 /nfs/dbraw/zinc/39/48/42/209394842.db2.gz IFCQGLWWMCKCFN-YBFXNURJSA-N -1 3 326.193 5.059 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000000061551 209395704 /nfs/dbraw/zinc/39/57/04/209395704.db2.gz BZFLBXIMBJCOFL-YBFXNURJSA-N -1 3 326.193 5.059 50 30 EKEAHM Cc1ccccc1-c1nc2cc(/N=C/c3ccccc3[O-])ccc2o1 ZINC000000061745 209395524 /nfs/dbraw/zinc/39/55/24/209395524.db2.gz BOAJBCSRDVUCFN-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM CCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000000065656 209397013 /nfs/dbraw/zinc/39/70/13/209397013.db2.gz MJCCPDRACCGOHT-RGVLZGJSSA-N -1 3 337.250 5.296 50 30 EKEAHM CCOc1ccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)cc1 ZINC000000090256 563976505 /nfs/dbraw/zinc/97/65/05/563976505.db2.gz QQZXIRINGJAGQK-LPYMAVHISA-N -1 3 335.403 5.167 50 30 EKEAHM CCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3[O-])ccc21 ZINC000000096058 563224255 /nfs/dbraw/zinc/22/42/55/563224255.db2.gz LGWKLQKBJPMCFL-OEAKJJBVSA-N -1 3 328.415 5.579 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1cccc(Cl)c1Cl ZINC000000100384 563225644 /nfs/dbraw/zinc/22/56/44/563225644.db2.gz PMHJKTGIWGSOBS-REZTVBANSA-N -1 3 345.023 5.212 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1cc(Cl)ccc1Cl ZINC000000100398 563225649 /nfs/dbraw/zinc/22/56/49/563225649.db2.gz CTFVPEDWUAQYLY-REZTVBANSA-N -1 3 345.023 5.212 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000000100422 563225580 /nfs/dbraw/zinc/22/55/80/563225580.db2.gz QLEALEXAWIYIOB-REZTVBANSA-N -1 3 345.023 5.212 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000000100468 563225691 /nfs/dbraw/zinc/22/56/91/563225691.db2.gz UHGJKERLQDVILY-REZTVBANSA-N -1 3 345.023 5.212 50 30 EKEAHM CCN(CC)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000000136703 563240773 /nfs/dbraw/zinc/24/07/73/563240773.db2.gz PJVTUIAGJDHTGW-RGVLZGJSSA-N -1 3 337.250 5.296 50 30 EKEAHM [O-]c1ccccc1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000138667 564118797 /nfs/dbraw/zinc/11/87/97/564118797.db2.gz MQODJDYFSNBBDJ-GZIVZEMBSA-N -1 3 333.231 5.180 50 30 EKEAHM N#CC=C([O-])c1cccc(CSc2cccc(C(F)(F)F)c2)c1 ZINC000000149808 258047767 /nfs/dbraw/zinc/04/77/67/258047767.db2.gz LOMHHLANDQPQSF-UHFFFAOYSA-N -1 3 335.350 5.094 50 30 EKEAHM Cc1sc([N-]C(=O)c2sc3ccccc3c2Cl)c(C#N)c1C ZINC000000176147 564132970 /nfs/dbraw/zinc/13/29/70/564132970.db2.gz XTTWWXMXVMPMHF-UHFFFAOYSA-N -1 3 346.864 5.357 50 30 EKEAHM Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4[O-])cc3)nc2c1 ZINC000000218273 563262340 /nfs/dbraw/zinc/26/23/40/563262340.db2.gz UHSAMLZDTODRLR-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM [O-]c1ccccc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000000218920 563988774 /nfs/dbraw/zinc/98/87/74/563988774.db2.gz XPUUKCOMRGTODB-WSDLNYQXSA-N -1 3 348.789 5.604 50 30 EKEAHM Cc1cccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)c1 ZINC000000219437 563262264 /nfs/dbraw/zinc/26/22/64/563262264.db2.gz UEFACVODSGQZJZ-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM [O-]c1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000000220074 564125182 /nfs/dbraw/zinc/12/51/82/564125182.db2.gz ONACKYNMEITWAZ-WSDLNYQXSA-N -1 3 348.789 5.604 50 30 EKEAHM Cc1cc([O-])c(/C=N/c2ccc(Cl)c(Cl)c2)c(C)c1Cl ZINC000000224093 563988969 /nfs/dbraw/zinc/98/89/69/563988969.db2.gz UEDONSAKABYVLN-FBCYGCLPSA-N -1 3 328.626 5.720 50 30 EKEAHM Cc1cc([O-])c(/C=N/c2ccc(Br)cc2)c(C)c1Cl ZINC000000224137 563988981 /nfs/dbraw/zinc/98/89/81/563988981.db2.gz RVWUQMLXQOTOCY-QGMBQPNBSA-N -1 3 338.632 5.176 50 30 EKEAHM Cc1cc(Br)ccc1/N=C/c1c([O-])ccc2ccccc12 ZINC000000224389 201451872 /nfs/dbraw/zinc/45/18/72/201451872.db2.gz DSNAIIJSCLJUAX-RGVLZGJSSA-N -1 3 340.220 5.367 50 30 EKEAHM [O-]c1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000000226082 563988908 /nfs/dbraw/zinc/98/89/08/563988908.db2.gz KEIHISSLEKNJGM-LPYMAVHISA-N -1 3 337.806 5.375 50 30 EKEAHM [O-]c1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000000226092 526341687 /nfs/dbraw/zinc/34/16/87/526341687.db2.gz KESYNZCTNXIGRD-LPYMAVHISA-N -1 3 337.806 5.375 50 30 EKEAHM Cc1cc([O-])c(/C=N/c2cc(Cl)ccc2Cl)c(C)c1Cl ZINC000000226391 563988967 /nfs/dbraw/zinc/98/89/67/563988967.db2.gz DZACNHATUSSUPL-FBCYGCLPSA-N -1 3 328.626 5.720 50 30 EKEAHM Cc1cc([O-])c(/C=N/c2cccc(Cl)c2Cl)c(C)c1Cl ZINC000000226428 563988977 /nfs/dbraw/zinc/98/89/77/563988977.db2.gz GDXYFMXCTWVBFY-FBCYGCLPSA-N -1 3 328.626 5.720 50 30 EKEAHM Cc1cc([O-])c(/C=N/c2ccc(Cl)cc2Cl)c(C)c1Cl ZINC000000226455 563988972 /nfs/dbraw/zinc/98/89/72/563988972.db2.gz OECIXFQEGMCDHX-FBCYGCLPSA-N -1 3 328.626 5.720 50 30 EKEAHM Cc1cccc2oc(-c3ccc(/N=C/c4ccccc4[O-])cc3)nc21 ZINC000000226623 563988949 /nfs/dbraw/zinc/98/89/49/563988949.db2.gz LVXAEBTXZDLRHW-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM Cc1cc2nc(-c3ccc(/N=C/c4ccccc4[O-])cc3)oc2cc1C ZINC000000231620 209496733 /nfs/dbraw/zinc/49/67/33/209496733.db2.gz DURWGTYGEQKCNK-YDZHTSKRSA-N -1 3 342.398 5.568 50 30 EKEAHM CCOc1ccc(/C=N/c2c(Cl)cc(Cl)cc2Cl)c([O-])c1 ZINC000000240829 563989139 /nfs/dbraw/zinc/98/91/39/563989139.db2.gz DPRFXMBUAVMGGZ-UFWORHAWSA-N -1 3 344.625 5.502 50 30 EKEAHM [O-]c1ccccc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000000242950 563989155 /nfs/dbraw/zinc/98/91/55/563989155.db2.gz DRLOEQUWBUTGTH-FYJGNVAPSA-N -1 3 330.412 5.420 50 30 EKEAHM O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccccc1[O-] ZINC000000243143 563989183 /nfs/dbraw/zinc/98/91/83/563989183.db2.gz OWKKOKBURZUIED-LPYMAVHISA-N -1 3 335.790 5.027 50 30 EKEAHM CCN(CC)c1ccc(/C=N/c2ccc(Cl)cc2Cl)c([O-])c1 ZINC000000273874 563270259 /nfs/dbraw/zinc/27/02/59/563270259.db2.gz DINAEJLFKBMADM-RGVLZGJSSA-N -1 3 337.250 5.296 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)cc1Cl ZINC000000273876 563270231 /nfs/dbraw/zinc/27/02/31/563270231.db2.gz BMEZBEZNZSHTTB-REZTVBANSA-N -1 3 345.023 5.212 50 30 EKEAHM Cc1ccc2nc(-c3ccc(/N=C/c4ccc([O-])cc4)cc3)sc2c1 ZINC000000286742 563273074 /nfs/dbraw/zinc/27/30/74/563273074.db2.gz XFGRDQQZJSLAGL-LPYMAVHISA-N -1 3 344.439 5.728 50 30 EKEAHM CC(C)(C)c1cc(/N=C/c2ccccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000000296843 563274636 /nfs/dbraw/zinc/27/46/36/563274636.db2.gz FYIGTRINSIJEDN-LPYMAVHISA-N -1 3 325.452 5.443 50 30 EKEAHM CC(C)(C)c1cc(/N=C/c2ccc([O-])cc2)c(O)c(C(C)(C)C)c1 ZINC000000297471 563274847 /nfs/dbraw/zinc/27/48/47/563274847.db2.gz AEWSVRCSLKOPOV-LPYMAVHISA-N -1 3 325.452 5.443 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Cl)c2cccnc12 ZINC000000300823 563917302 /nfs/dbraw/zinc/91/73/02/563917302.db2.gz QTMPKZZAILDABZ-FSJBWODESA-N -1 3 332.790 5.498 50 30 EKEAHM C=C1C(=O)c2ccccc2C([O-])=C1Sc1ccc2ccccc2c1 ZINC000000344030 563287338 /nfs/dbraw/zinc/28/73/38/563287338.db2.gz VJNUKEXIWYTSIY-UHFFFAOYSA-N -1 3 330.408 5.285 50 30 EKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccc2ccccc2c1 ZINC000000494700 563338423 /nfs/dbraw/zinc/33/84/23/563338423.db2.gz QBSTXVZMVSVYLF-YBFXNURJSA-N -1 3 326.193 5.059 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000000502787 564076005 /nfs/dbraw/zinc/07/60/05/564076005.db2.gz HPHAMBOJMRZCFU-LFVJCYFKSA-N -1 3 339.394 6.088 50 30 EKEAHM [O-]c1ccc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 ZINC000000503530 564019185 /nfs/dbraw/zinc/01/91/85/564019185.db2.gz RKSOWVJUHDVBCS-SRZZPIQSSA-N -1 3 325.795 5.421 50 30 EKEAHM CC(C)n1c2ccccc2nc1/N=C/c1c([O-])ccc2ccccc21 ZINC000000505482 564019446 /nfs/dbraw/zinc/01/94/46/564019446.db2.gz MSGSKBKGZCUORG-LPYMAVHISA-N -1 3 329.403 5.227 50 30 EKEAHM Cc1ccccc1Nc1oc2ccccc2c1/N=C/c1ccccc1[O-] ZINC000000506401 564019523 /nfs/dbraw/zinc/01/95/23/564019523.db2.gz ZJCKABIGUBWBDC-OEAKJJBVSA-N -1 3 342.398 5.941 50 30 EKEAHM [O-]c1ccc2oc3c(c2c1/C=N/c1cccc2ccccc21)CCCC3 ZINC000000506460 564019502 /nfs/dbraw/zinc/01/95/02/564019502.db2.gz OLNFCTSMACTZMP-ZVHZXABRSA-N -1 3 341.410 5.921 50 30 EKEAHM CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1 ZINC000000998333 258048941 /nfs/dbraw/zinc/04/89/41/258048941.db2.gz DIEZAPPUKZHQSI-LBPRGKRZSA-N -1 3 342.464 5.006 50 30 EKEAHM CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1 ZINC000000998334 258048960 /nfs/dbraw/zinc/04/89/60/258048960.db2.gz DIEZAPPUKZHQSI-GFCCVEGCSA-N -1 3 342.464 5.006 50 30 EKEAHM COc1ccc(/N=C/c2cccc(-c3ccccc3)c2[O-])cc1Cl ZINC000001001719 563367754 /nfs/dbraw/zinc/36/77/54/563367754.db2.gz JIQDRYKYMUWMQA-LPYMAVHISA-N -1 3 337.806 5.472 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001027980 563369379 /nfs/dbraw/zinc/36/93/79/563369379.db2.gz BLVXCLRETJEBAB-WSDLNYQXSA-N -1 3 348.789 5.604 50 30 EKEAHM CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([O-])cc2)c1C ZINC000001096948 563374565 /nfs/dbraw/zinc/37/45/65/563374565.db2.gz JDSDCEKFHJTBLD-OEAKJJBVSA-N -1 3 332.447 5.421 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710187 209785261 /nfs/dbraw/zinc/78/52/61/209785261.db2.gz BOBDOSQGFIXBCS-MFKUBSTISA-N -1 3 348.405 5.397 50 30 EKEAHM C=CCc1cc(/C(CC)=C(\CC)c2ccc(O)c(CC=C)c2)ccc1[O-] ZINC000001724723 519123047 /nfs/dbraw/zinc/12/30/47/519123047.db2.gz NUKHDOPGAIWQMC-QURGRASLSA-N -1 3 348.486 6.286 50 30 EKEAHM Cc1cc([O-])c(/N=C/C=C/c2cccc(Br)c2)cc1C ZINC000002051927 563419719 /nfs/dbraw/zinc/41/97/19/563419719.db2.gz IPEYQCBOPCIYIV-LKIKGXGASA-N -1 3 330.225 5.187 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000002143397 564076052 /nfs/dbraw/zinc/07/60/52/564076052.db2.gz BUWQSIHIQCJZRU-LFVJCYFKSA-N -1 3 338.410 6.040 50 30 EKEAHM CCCCCCCCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000002147698 519983277 /nfs/dbraw/zinc/98/32/77/519983277.db2.gz GQRPODLWAGLXQK-UHFFFAOYSA-N -1 3 325.880 5.905 50 30 EKEAHM Cc1ccc([O-])c(/N=C/c2ccc(/C=N/c3cc(C)ccc3O)cc2)c1 ZINC000002163640 564076078 /nfs/dbraw/zinc/07/60/78/564076078.db2.gz LEBWGKISEQBOOW-RNIAWFEPSA-N -1 3 344.414 5.216 50 30 EKEAHM CC(C)c1cccc(C(C)C)c1/N=C/c1c([O-])ccc2ccccc21 ZINC000002182799 563425982 /nfs/dbraw/zinc/42/59/82/563425982.db2.gz XLFIHSZKMMOERQ-ZVHZXABRSA-N -1 3 331.459 6.543 50 30 EKEAHM [O-]c1ccccc1/C=N/c1nc2c(s1)CCCCCCCCCC2 ZINC000002213677 564122984 /nfs/dbraw/zinc/12/29/84/564122984.db2.gz NUSJOJFCLYSOBY-RCCKNPSSSA-N -1 3 342.508 5.819 50 30 EKEAHM [O-]c1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 ZINC000002220332 564124028 /nfs/dbraw/zinc/12/40/28/564124028.db2.gz SXBOAJQKZSLWSJ-RCCKNPSSSA-N -1 3 342.508 5.819 50 30 EKEAHM CCCCCCCCCOc1cccc(/C=N/c2ccccc2[O-])c1 ZINC000002227846 564124577 /nfs/dbraw/zinc/12/45/77/564124577.db2.gz HGFWAMZADFAXIR-PTGBLXJZSA-N -1 3 339.479 6.272 50 30 EKEAHM CCCCCCCCOc1ccc(/C=N/c2ccccc2[O-])cc1 ZINC000002250669 209834389 /nfs/dbraw/zinc/83/43/89/209834389.db2.gz LKRSQJHSXYGVCN-OQKWZONESA-N -1 3 325.452 5.882 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000002252018 564125319 /nfs/dbraw/zinc/12/53/19/564125319.db2.gz BZHHSGOYMAHTMJ-MFKUBSTISA-N -1 3 335.406 5.867 50 30 EKEAHM CCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)ccc1[O-] ZINC000002267577 564125400 /nfs/dbraw/zinc/12/54/00/564125400.db2.gz WHODHFQELZBSIU-FYJGNVAPSA-N -1 3 341.842 5.336 50 30 EKEAHM CCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1[O-] ZINC000002269666 258049585 /nfs/dbraw/zinc/04/95/85/258049585.db2.gz QAFCADPFRYZLLZ-CJLVFECKSA-N -1 3 335.451 5.463 50 30 EKEAHM CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2)c1[O-])CCCC3 ZINC000002292469 564131723 /nfs/dbraw/zinc/13/17/23/564131723.db2.gz GQFUCYQZSUTLPH-ZVHZXABRSA-N -1 3 347.458 6.065 50 30 EKEAHM Cc1ccc2nc(-c3cccc(/N=C/c4ccccc4[O-])c3)oc2c1 ZINC000003096673 563912065 /nfs/dbraw/zinc/91/20/65/563912065.db2.gz LXUKXHTYDABACE-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM CC(C)(C)c1cc(/C=N/c2ccc([O-])cc2)cc(C(C)(C)C)c1O ZINC000003122299 564076108 /nfs/dbraw/zinc/07/61/08/564076108.db2.gz SIOFYSQLCFRELK-LPYMAVHISA-N -1 3 325.452 5.443 50 30 EKEAHM CCC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(OC)c2O)c1 ZINC000003136602 520674981 /nfs/dbraw/zinc/67/49/81/520674981.db2.gz AIWPQNYPGXUEQO-KIHMUJGBSA-N -1 3 347.842 5.414 50 30 EKEAHM CCC[C@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(OC)c2O)c1 ZINC000003136604 521071307 /nfs/dbraw/zinc/07/13/07/521071307.db2.gz AIWPQNYPGXUEQO-OVMKCGGTSA-N -1 3 347.842 5.414 50 30 EKEAHM [O-]c1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000003187169 564004108 /nfs/dbraw/zinc/00/41/08/564004108.db2.gz DFPITYDLVNVKDZ-FYJGNVAPSA-N -1 3 330.412 5.420 50 30 EKEAHM [O-]c1cc2ccccc2cc1/C(=N\c1ccccc1)Nc1ccccc1 ZINC000003658852 564159283 /nfs/dbraw/zinc/15/92/83/564159283.db2.gz WJUBUZLRCVNOIT-UHFFFAOYSA-N -1 3 338.410 5.736 50 30 EKEAHM [O-]c1ccccc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003896888 210086282 /nfs/dbraw/zinc/08/62/82/210086282.db2.gz PGKNAJDJAFFSAL-PCLIKHOPSA-N -1 3 345.486 5.902 50 30 EKEAHM N#CC=C([O-])c1ccccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004105366 210120462 /nfs/dbraw/zinc/12/04/62/210120462.db2.gz DHYYXVLGMYEIMX-UHFFFAOYSA-N -1 3 339.700 5.247 50 30 EKEAHM CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)ccc1[O-] ZINC000004300167 563499374 /nfs/dbraw/zinc/49/93/74/563499374.db2.gz VJYHTJFOVARFCR-FBCYGCLPSA-N -1 3 347.604 5.328 50 30 EKEAHM Cc1ccc(SC(Sc2ccc(C)cc2)=C(Cl)/C=N/[O-])cc1 ZINC000004301278 210163434 /nfs/dbraw/zinc/16/34/34/210163434.db2.gz VITYKUZBMMQLEA-YBFXNURJSA-N -1 3 349.908 6.056 50 30 EKEAHM [O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004459000 526355158 /nfs/dbraw/zinc/35/51/58/526355158.db2.gz SIJKIKVQBXSCFY-CIAFOILYSA-N -1 3 345.427 5.115 50 30 EKEAHM [O-]c1c(/C=N/c2ccc(Br)cc2F)ccc2ccccc12 ZINC000004599208 210230802 /nfs/dbraw/zinc/23/08/02/210230802.db2.gz MEEOLWVLIAVORZ-KEBDBYFISA-N -1 3 344.183 5.198 50 30 EKEAHM CCCCn1c2ccccc2nc1/N=C/c1c([O-])ccc2ccccc21 ZINC000004663459 563963534 /nfs/dbraw/zinc/96/35/34/563963534.db2.gz ZRDSZWIBYZBSOE-HZHRSRAPSA-N -1 3 343.430 5.446 50 30 EKEAHM [O-]c1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12 ZINC000004670579 210243187 /nfs/dbraw/zinc/24/31/87/210243187.db2.gz PPQOKQGJKDEZAY-AUEPDCJTSA-N -1 3 349.739 5.968 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 ZINC000004714728 210256788 /nfs/dbraw/zinc/25/67/88/210256788.db2.gz VEEUFMBFBQZWGF-JJIBRWJFSA-N -1 3 338.410 5.718 50 30 EKEAHM C(=N[N-]c1nc2ccccc2o1)c1cccc(Oc2ccccc2)c1 ZINC000004746677 210268666 /nfs/dbraw/zinc/26/86/66/210268666.db2.gz OJBYBJVELBTDND-KGENOOAVSA-N -1 3 329.359 5.066 50 30 EKEAHM C[C@H](/N=C/c1c([O-])ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750780 210270398 /nfs/dbraw/zinc/27/03/98/210270398.db2.gz RNZUDPKMBBZDPS-XZYWMSRZSA-N -1 3 333.475 5.569 50 30 EKEAHM C[C@@H](/N=C/c1c([O-])ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750781 563973144 /nfs/dbraw/zinc/97/31/44/563973144.db2.gz RNZUDPKMBBZDPS-VNSUDANBSA-N -1 3 333.475 5.569 50 30 EKEAHM COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000005112191 210391054 /nfs/dbraw/zinc/39/10/54/210391054.db2.gz BSRJDLJRSWFHBO-RMKNXTFCSA-N -1 3 338.790 5.104 50 30 EKEAHM CCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1[O-] ZINC000005417788 519916229 /nfs/dbraw/zinc/91/62/29/519916229.db2.gz MKQNSTGKLDXAMG-RELWKKBWSA-N -1 3 340.423 5.234 50 30 EKEAHM CCCc1ccc([O-])c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000005432167 521401498 /nfs/dbraw/zinc/40/14/98/521401498.db2.gz JCNNQUDYEAMTPG-LPYMAVHISA-N -1 3 339.822 6.009 50 30 EKEAHM CCc1ccc2oc(-c3cccc(/N=C/c4ccccc4[O-])c3)nc2c1 ZINC000005477396 563534320 /nfs/dbraw/zinc/53/43/20/563534320.db2.gz QDKDFGTYIYPXRO-OEAKJJBVSA-N -1 3 342.398 5.513 50 30 EKEAHM N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c([O-])c1-c1ccccc1 ZINC000005490759 564077390 /nfs/dbraw/zinc/07/73/90/564077390.db2.gz GARXUMFGCOPWSH-UHFFFAOYSA-N -1 3 347.417 6.265 50 30 EKEAHM CCCCc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000005597372 563541840 /nfs/dbraw/zinc/54/18/40/563541840.db2.gz UPCKHINKYVHUJM-XDHOZWIPSA-N -1 3 332.241 5.248 50 30 EKEAHM Cc1ccc(NC(=Nc2ccccc2[O-])Nc2ccc(C)cc2)cc1 ZINC000005798812 564052241 /nfs/dbraw/zinc/05/22/41/564052241.db2.gz QYXDFNCBYQGCLF-UHFFFAOYSA-N -1 3 331.419 5.221 50 30 EKEAHM CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(Cl)c1[O-] ZINC000006646956 564095055 /nfs/dbraw/zinc/09/50/55/564095055.db2.gz IPTGDUZGGKGYFH-BQYQJAHWSA-N -1 3 342.778 5.087 50 30 EKEAHM C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c([O-])c1 ZINC000009350738 211071806 /nfs/dbraw/zinc/07/18/06/211071806.db2.gz KHDLHSMILMKNOW-UHFFFAOYSA-N -1 3 340.810 5.058 50 30 EKEAHM [O-]c1ccccc1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000012436433 563660767 /nfs/dbraw/zinc/66/07/67/563660767.db2.gz MDZPQWBMHRKDAU-NHDPSOOVSA-N -1 3 338.476 5.067 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 ZINC000013406305 564073952 /nfs/dbraw/zinc/07/39/52/564073952.db2.gz PXLPAZKKRLOYAO-YBFXNURJSA-N -1 3 326.193 5.059 50 30 EKEAHM Cc1cc(C)c(C2(C)CC(/C(=N\[O-])c3cc4ccccc4o3)C2)c(C)c1 ZINC000015230122 563780402 /nfs/dbraw/zinc/78/04/02/563780402.db2.gz ZAHJQPRUYZZMSG-ZNTNEXAZSA-N -1 3 347.458 5.904 50 30 EKEAHM Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4[O-])cc3)sc2c1 ZINC000017062597 564074421 /nfs/dbraw/zinc/07/44/21/564074421.db2.gz NDTLSVIHPFXUNH-LPYMAVHISA-N -1 3 344.439 5.728 50 30 EKEAHM C=CCSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000017125642 563837721 /nfs/dbraw/zinc/83/77/21/563837721.db2.gz ZWPBLWYDADPJLU-WOJGMQOQSA-N -1 3 326.446 5.031 50 30 EKEAHM CC(C)CSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000017125647 563837707 /nfs/dbraw/zinc/83/77/07/563837707.db2.gz JZPGURKWXUBQLP-VXLYETTFSA-N 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/nfs/dbraw/zinc/84/96/32/563849632.db2.gz IBKFPODMQLEYRC-IOCYEQIYSA-N -1 3 337.422 5.754 50 30 EKEAHM CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)cc(Cl)c1[O-] ZINC000033466980 201073886 /nfs/dbraw/zinc/07/38/86/201073886.db2.gz IPTGDUZGGKGYFH-FPLPWBNLSA-N -1 3 342.778 5.087 50 30 EKEAHM C=CCc1c2c(ccc1[O-])n(-c1ccc(Cl)cc1)c(C)c2C(C)=O ZINC000038792296 213227257 /nfs/dbraw/zinc/22/72/57/213227257.db2.gz SWWVASCWBUOCQN-UHFFFAOYSA-N -1 3 339.822 5.229 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040477029 213313179 /nfs/dbraw/zinc/31/31/79/213313179.db2.gz LCJIHHMYHUBAEU-IFRROFPPSA-N -1 3 334.124 5.468 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1C(F)(F)F ZINC000044835798 564027261 /nfs/dbraw/zinc/02/72/61/564027261.db2.gz IHQBDWZKLACLPU-SCDVKCJHSA-N -1 3 334.124 5.468 50 30 EKEAHM O=C(/C=C/c1ccccc1[O-])c1ccc(Sc2ccccc2)cc1 ZINC000051330030 564025165 /nfs/dbraw/zinc/02/51/65/564025165.db2.gz PNYPUYRPJXXWPM-NTCAYCPXSA-N -1 3 332.424 5.440 50 30 EKEAHM CCc1ccc([O-])c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 ZINC000067341103 563962297 /nfs/dbraw/zinc/96/22/97/563962297.db2.gz WREGGVXRMCKBFE-HZHRSRAPSA-N -1 3 331.415 5.002 50 30 EKEAHM CCCCCCCCCCCCCCCC(=O)N([O-])c1ccccc1 ZINC000070665765 564176364 /nfs/dbraw/zinc/17/63/64/564176364.db2.gz WGMPVZJEXPNBCF-UHFFFAOYSA-N -1 3 347.543 6.890 50 30 EKEAHM Cc1ccc(C2=Nc3ccccc3[C@]([S-])(c3ccccc3)S2)cc1 ZINC000075260485 564081278 /nfs/dbraw/zinc/08/12/78/564081278.db2.gz CDTOVRQUJMTMDS-NRFANRHFSA-N -1 3 347.508 5.951 50 30 EKEAHM Cc1ccc(C2=Nc3ccccc3[C@@]([S-])(c3ccccc3)S2)cc1 ZINC000075260486 564081288 /nfs/dbraw/zinc/08/12/88/564081288.db2.gz CDTOVRQUJMTMDS-OAQYLSRUSA-N -1 3 347.508 5.951 50 30 EKEAHM C/C(=N\[O-])c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C ZINC000075286380 216604049 /nfs/dbraw/zinc/60/40/49/216604049.db2.gz JDWGYYULSFYGCP-LPYMAVHISA-N -1 3 347.443 5.236 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccccc1Br ZINC000095919523 563977765 /nfs/dbraw/zinc/97/77/65/563977765.db2.gz BWIVCJWRPRTTCM-YBFXNURJSA-N -1 3 326.193 5.059 50 30 EKEAHM Cc1ccccc1-c1nc2ccc(/N=C/c3ccccc3[O-])cc2o1 ZINC000098086878 219082015 /nfs/dbraw/zinc/08/20/15/219082015.db2.gz WINKGMZCCQBJEQ-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM CCc1ccc(-c2nc3ccc(/N=C/c4ccccc4[O-])cc3o2)cc1 ZINC000098086880 563982210 /nfs/dbraw/zinc/98/22/10/563982210.db2.gz FREWCALUCBNZGA-OEAKJJBVSA-N -1 3 342.398 5.513 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F ZINC000100037401 219089068 /nfs/dbraw/zinc/08/90/68/219089068.db2.gz IHQBDWZKLACLPU-IFRROFPPSA-N -1 3 334.124 5.468 50 30 EKEAHM CC12C[C@H]3C[C@@H](C1)CC(C/N=C/c1c([O-])ccc4ccccc41)(C3)C2 ZINC000100100042 219091704 /nfs/dbraw/zinc/09/17/04/219091704.db2.gz FHOMMXBZDRGRMN-RKLVHNIUSA-N -1 3 333.475 5.571 50 30 EKEAHM CCCCCCCCCCC/C(=N\O)c1cc(Cl)ccc1[O-] ZINC000100166632 564177716 /nfs/dbraw/zinc/17/77/16/564177716.db2.gz HDUGNNXDXFLBRS-LVZFUZTISA-N -1 3 325.880 6.145 50 30 EKEAHM CCCCCCCCCCC/C(=N\[O-])c1cc(Cl)ccc1O ZINC000100166632 564177715 /nfs/dbraw/zinc/17/77/15/564177715.db2.gz HDUGNNXDXFLBRS-LVZFUZTISA-N -1 3 325.880 6.145 50 30 EKEAHM CCCCCCCCCCCCC/C(=N\[O-])c1ccc(O)cc1O ZINC000100166793 219093537 /nfs/dbraw/zinc/09/35/37/219093537.db2.gz QCIPLZVFMUUCEI-XUTLUUPISA-N -1 3 335.488 5.977 50 30 EKEAHM [O-]c1ccccc1/C=N/c1ccc(SCc2ccc(F)cc2)cc1 ZINC000100457322 219099937 /nfs/dbraw/zinc/09/99/37/219099937.db2.gz ROEOXJZEWAIUSU-LPYMAVHISA-N -1 3 337.419 5.574 50 30 EKEAHM [O-]c1ccccc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000100457789 219100010 /nfs/dbraw/zinc/10/00/10/219100010.db2.gz MDZPQWBMHRKDAU-SRZZPIQSSA-N -1 3 338.476 5.067 50 30 EKEAHM Cc1cc2nc(-c3ccc(/N=C/c4ccccc4[O-])cc3)oc2c(C)c1 ZINC000100502826 219100335 /nfs/dbraw/zinc/10/03/35/219100335.db2.gz GQZXVYXYLXMASX-YDZHTSKRSA-N -1 3 342.398 5.568 50 30 EKEAHM Cc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1 ZINC000100502933 219100593 /nfs/dbraw/zinc/10/05/93/219100593.db2.gz IQQJZKBEWZMAQU-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM Cc1ccc2oc(-c3ccc(C)c(/N=C/c4ccccc4[O-])c3)nc2c1 ZINC000100503077 219100550 /nfs/dbraw/zinc/10/05/50/219100550.db2.gz OTJMVCOZALHJAY-YDZHTSKRSA-N -1 3 342.398 5.568 50 30 EKEAHM Cc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)c(C)c1 ZINC000100505846 219101448 /nfs/dbraw/zinc/10/14/48/219101448.db2.gz CROPTNVAXLPJHP-YDZHTSKRSA-N -1 3 342.398 5.568 50 30 EKEAHM CCCCCCCCOc1ccc(-c2nc3ccccc3[nH]2)c([O-])c1 ZINC000100733885 563982736 /nfs/dbraw/zinc/98/27/36/563982736.db2.gz NVOCUFDIHBNFBV-UHFFFAOYSA-N -1 3 338.451 5.675 50 30 EKEAHM [O-]c1ccc2ccccc2c1/C=N/CC12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000100920792 219111613 /nfs/dbraw/zinc/11/16/13/219111613.db2.gz TYPJGUKCUWMYMK-XKINHMTFSA-N -1 3 333.475 5.571 50 30 EKEAHM [O-]/N=C(/c1cc2cc3ccccc3nc2s1)c1ccccc1Cl ZINC000100925339 219111732 /nfs/dbraw/zinc/11/17/32/219111732.db2.gz HKZXMYUDCCOVGS-HEHNFIMWSA-N -1 3 338.819 5.330 50 30 EKEAHM CCCCCCCCCCC(=N/[O-])/C(=N\O)c1ccc(C(C)C)cc1 ZINC000100933910 563982864 /nfs/dbraw/zinc/98/28/64/563982864.db2.gz BTGMOIQLMBAFNS-YEUCEMRASA-N -1 3 346.515 6.349 50 30 EKEAHM CCCCCCCCCCCCCCCCNc1nc(C)cc(=O)[n-]1 ZINC000101017005 564076347 /nfs/dbraw/zinc/07/63/47/564076347.db2.gz AQFWGHDNJQGQET-UHFFFAOYSA-N -1 3 349.563 6.384 50 30 EKEAHM CCCCCCCNCc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000101501857 204008801 /nfs/dbraw/zinc/00/88/01/204008801.db2.gz KRUXWRVVZUZUQR-UHFFFAOYSA-N -1 3 349.858 5.358 50 30 EKEAHM CCOc1ccc2nc(/N=C/c3c([O-])ccc4ccccc43)sc2c1 ZINC000101667564 204018810 /nfs/dbraw/zinc/01/88/10/204018810.db2.gz QTXVWUCYQWZHIK-CIAFOILYSA-N -1 3 348.427 5.304 50 30 EKEAHM Cc1ccc(-c2nc3ccc(/N=C/c4ccccc4[O-])cc3o2)cc1 ZINC000102417470 219202036 /nfs/dbraw/zinc/20/20/36/219202036.db2.gz NFIXTNHWCQZFJD-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM Cc1cccc(-c2nc3ccc(/N=C/c4ccccc4[O-])cc3o2)c1 ZINC000102417509 219201913 /nfs/dbraw/zinc/20/19/13/219201913.db2.gz VRSFKITVXHLMDX-LPYMAVHISA-N -1 3 328.371 5.259 50 30 EKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000102419322 219202024 /nfs/dbraw/zinc/20/20/24/219202024.db2.gz OGQHXRAZYSNAII-WSDLNYQXSA-N -1 3 348.789 5.604 50 30 EKEAHM CC(C)(C)c1cc(/N=C/c2ccccc2[O-])cc(C(C)(C)C)c1O ZINC000102547682 564020225 /nfs/dbraw/zinc/02/02/25/564020225.db2.gz QCMHPCXUKSADMV-LPYMAVHISA-N -1 3 325.452 5.443 50 30 EKEAHM O=[N+]([O-])c1ccc(/N=C/c2c([O-])ccc3ccccc32)c2ccccc21 ZINC000103751677 219322839 /nfs/dbraw/zinc/32/28/39/219322839.db2.gz IGQWZYZNJULXSF-LPYMAVHISA-N -1 3 342.354 5.357 50 30 EKEAHM [O-]c1c(/C=N/c2ccc3c4c(cccc42)CC3)cccc1-c1ccccc1 ZINC000103760898 219323857 /nfs/dbraw/zinc/32/38/57/219323857.db2.gz HWCXHLGKLMWJBT-WGOQTCKBSA-N -1 3 349.433 6.062 50 30 EKEAHM C=CCc1cccc(/C=N\C2c3ccccc3-c3ccccc32)c1[O-] ZINC000107927378 564130122 /nfs/dbraw/zinc/13/01/22/564130122.db2.gz ZRLQAJIRCIGMBI-IWIPYMOSSA-N -1 3 325.411 5.310 50 30 EKEAHM CCN(CC)c1ccc(C=Nc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000252460312 564118658 /nfs/dbraw/zinc/11/86/58/564118658.db2.gz DINAEJLFKBMADM-UHFFFAOYSA-N -1 3 337.250 5.296 50 30 EKEAHM CCn1c2ccccc2c2cc(C=Nc3ccc(C)cc3[O-])ccc21 ZINC000252461209 564118673 /nfs/dbraw/zinc/11/86/73/564118673.db2.gz LGWKLQKBJPMCFL-UHFFFAOYSA-N -1 3 328.415 5.579 50 30 EKEAHM CCN(CC)c1ccc(C=Nc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000252462049 564118732 /nfs/dbraw/zinc/11/87/32/564118732.db2.gz PJVTUIAGJDHTGW-UHFFFAOYSA-N -1 3 337.250 5.296 50 30 EKEAHM Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3O)cc2)c([O-])c1 ZINC000252462306 564118742 /nfs/dbraw/zinc/11/87/42/564118742.db2.gz RJLOCNPQZKBGPG-UHFFFAOYSA-N -1 3 344.414 5.216 50 30 EKEAHM [O-]c1ccc(Br)cc1C=Nc1cc(Cl)cc(Cl)c1 ZINC000252462567 564118761 /nfs/dbraw/zinc/11/87/61/564118761.db2.gz UHGJKERLQDVILY-UHFFFAOYSA-N -1 3 345.023 5.212 50 30 EKEAHM [O-]c1ccc(Cl)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252593685 564121060 /nfs/dbraw/zinc/12/10/60/564121060.db2.gz BLVXCLRETJEBAB-UHFFFAOYSA-N -1 3 348.789 5.604 50 30 EKEAHM Cc1ccc(-c2nc3cc(N=Cc4ccccc4[O-])ccc3o2)c(C)c1 ZINC000252597508 564121115 /nfs/dbraw/zinc/12/11/15/564121115.db2.gz CROPTNVAXLPJHP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/12/18/16/564121816.db2.gz IGQWZYZNJULXSF-UHFFFAOYSA-N -1 3 342.354 5.357 50 30 EKEAHM Cc1cc([O-])c(N=C/C=C\c2cccc(Br)c2)cc1C ZINC000252612031 564121856 /nfs/dbraw/zinc/12/18/56/564121856.db2.gz IPEYQCBOPCIYIV-ALLIPXQPSA-N -1 3 330.225 5.187 50 30 EKEAHM Cc1cc([O-])c(N=C/C=C/c2cccc(Br)c2)cc1C ZINC000252612034 564121840 /nfs/dbraw/zinc/12/18/40/564121840.db2.gz IPEYQCBOPCIYIV-GOIQXGLCSA-N -1 3 330.225 5.187 50 30 EKEAHM Cc1ccc(-c2nc3cc(N=Cc4ccccc4[O-])ccc3o2)cc1 ZINC000252612231 564121846 /nfs/dbraw/zinc/12/18/46/564121846.db2.gz IQQJZKBEWZMAQU-UHFFFAOYSA-N -1 3 328.371 5.259 50 30 EKEAHM CC(=N[O-])c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C ZINC000252613764 564121960 /nfs/dbraw/zinc/12/19/60/564121960.db2.gz JDWGYYULSFYGCP-UHFFFAOYSA-N -1 3 347.443 5.236 50 30 EKEAHM COc1ccc(N=Cc2cccc(-c3ccccc3)c2[O-])cc1Cl ZINC000252614398 564122037 /nfs/dbraw/zinc/12/20/37/564122037.db2.gz JIQDRYKYMUWMQA-UHFFFAOYSA-N -1 3 337.806 5.472 50 30 EKEAHM [O-]c1ccccc1C=Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000252620429 564122386 /nfs/dbraw/zinc/12/23/86/564122386.db2.gz MDZPQWBMHRKDAU-UHFFFAOYSA-N -1 3 338.476 5.067 50 30 EKEAHM [O-]c1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Cl ZINC000252620681 564122351 /nfs/dbraw/zinc/12/23/51/564122351.db2.gz MJPMPZDJOLQOFR-UHFFFAOYSA-N -1 3 334.124 5.468 50 30 EKEAHM Cc1ccc2nc(-c3ccc(N=Cc4ccccc4[O-])cc3)oc2c1 ZINC000252621641 564122830 /nfs/dbraw/zinc/12/28/30/564122830.db2.gz NDOWSGYBSKWNCG-UHFFFAOYSA-N -1 3 328.371 5.259 50 30 EKEAHM Cc1ccc2oc(-c3ccc(C)c(N=Cc4ccccc4[O-])c3)nc2c1 ZINC000252623531 564122954 /nfs/dbraw/zinc/12/29/54/564122954.db2.gz OTJMVCOZALHJAY-UHFFFAOYSA-N -1 3 342.398 5.568 50 30 EKEAHM [O-]c1ccc(Br)cc1C=Nc1ccc2ccccc2c1 ZINC000252625049 564123185 /nfs/dbraw/zinc/12/31/85/564123185.db2.gz QBSTXVZMVSVYLF-UHFFFAOYSA-N -1 3 326.193 5.059 50 30 EKEAHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)c2cccnc12 ZINC000252625989 564123267 /nfs/dbraw/zinc/12/32/67/564123267.db2.gz QTMPKZZAILDABZ-UHFFFAOYSA-N -1 3 332.790 5.498 50 30 EKEAHM [O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000252628118 564123457 /nfs/dbraw/zinc/12/34/57/564123457.db2.gz SIJKIKVQBXSCFY-UHFFFAOYSA-N -1 3 345.427 5.115 50 30 EKEAHM Cc1cccc(-c2nc3cc(N=Cc4ccccc4[O-])ccc3o2)c1 ZINC000252629350 564123542 /nfs/dbraw/zinc/12/35/42/564123542.db2.gz UEFACVODSGQZJZ-UHFFFAOYSA-N -1 3 328.371 5.259 50 30 EKEAHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Br)cc1 ZINC000253618239 258073455 /nfs/dbraw/zinc/07/34/55/258073455.db2.gz PXLPAZKKRLOYAO-UHFFFAOYSA-N -1 3 326.193 5.059 50 30 EKEAHM