smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1c([O-])ccc2ccccc21 ZINC000008642193 563633999 /nfs/dbraw/zinc/63/39/99/563633999.db2.gz OPPMZBLNYSANML-XCWBZETHSA-N -1 3 341.366 4.555 40 0 EJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(C)C ZINC000007360969 564015510 /nfs/dbraw/zinc/01/55/10/564015510.db2.gz WQALVNJLECHXSJ-UHFFFAOYSA-N -1 3 347.480 4.743 40 0 EJABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000000582490 564078396 /nfs/dbraw/zinc/07/83/96/564078396.db2.gz GBEKZAUSLBFMKK-UHFFFAOYSA-N -1 3 348.276 4.516 40 0 EJABHM [O-]c1cccc(Br)c1-c1ccccc1Br ZINC000095486385 563976984 /nfs/dbraw/zinc/97/69/84/563976984.db2.gz WXGUZPQXTVHWRI-UHFFFAOYSA-N -1 3 328.003 4.584 40 0 EJABHM Cc1sc2nc3c(O)cc(=S)[n-]c3c(Br)c2c1C ZINC000005687140 564032946 /nfs/dbraw/zinc/03/29/46/564032946.db2.gz VCWJFOHGVGONOM-UHFFFAOYSA-N -1 3 341.255 4.592 40 0 EJABHM CC1(C)C(c2ccccc2)=Nc2nonc2[N-][C@@]1(C)c1ccccc1 ZINC000408721507 563617979 /nfs/dbraw/zinc/61/79/79/563617979.db2.gz ITGZCQDIIJKZCS-FQEVSTJZSA-N -1 3 332.407 4.558 40 0 EJABHM Cc1ccc(Cl)cc1NCc1ccc([O-])c(Br)c1 ZINC000057997926 564035428 /nfs/dbraw/zinc/03/54/28/564035428.db2.gz JQDBMYFRTLOTHP-UHFFFAOYSA-N -1 3 326.621 4.729 40 0 EJABHM COc1cc2oc(=O)c(-c3ccc([O-])cc3)cc2c(-c2ccccc2)c1 ZINC000071404998 203094286 /nfs/dbraw/zinc/09/42/86/203094286.db2.gz SODGEKHRSWJENL-UHFFFAOYSA-N -1 3 344.366 4.841 40 0 EJABHM CC(C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000020158381 212107837 /nfs/dbraw/zinc/10/78/37/212107837.db2.gz ZHJWLHXAJYMBTF-UHFFFAOYSA-N -1 3 326.421 4.654 40 0 EJABHM O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1c([O-])ccc2ccccc21 ZINC000005328250 563526779 /nfs/dbraw/zinc/52/67/79/563526779.db2.gz OPPMZBLNYSANML-JWQZUCLUSA-N -1 3 341.366 4.555 40 0 EJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000005598801 563542173 /nfs/dbraw/zinc/54/21/73/563542173.db2.gz JXSIURWPTMTZJL-UHFFFAOYSA-N -1 3 339.416 4.588 40 0 EJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(C)C ZINC000007361134 563994510 /nfs/dbraw/zinc/99/45/10/563994510.db2.gz IUXMOOHIRIHBLY-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3ccccc3s2)c1[O-] ZINC000004988501 564005641 /nfs/dbraw/zinc/00/56/41/564005641.db2.gz LVXLKSZFZBFQHO-UHFFFAOYSA-N -1 3 340.448 4.962 40 0 EJABHM [O-]c1ccc(Cl)cc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1 ZINC000008306407 564035292 /nfs/dbraw/zinc/03/52/92/564035292.db2.gz ZMTDMBUTCDKSDW-UHFFFAOYSA-N -1 3 338.716 4.917 40 0 EJABHM O=C([N-]C(=S)c1cccc2ccccc21)Oc1ccccc1Cl ZINC000006536551 564126080 /nfs/dbraw/zinc/12/60/80/564126080.db2.gz YLPGABVGGGWGSQ-UHFFFAOYSA-N -1 3 341.819 4.957 40 0 EJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000005598782 564014147 /nfs/dbraw/zinc/01/41/47/564014147.db2.gz GNASEXINXWMMCO-UHFFFAOYSA-N -1 3 337.444 4.771 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(C)C ZINC000225493222 564047256 /nfs/dbraw/zinc/04/72/56/564047256.db2.gz HWGQQWCJTBMIIN-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM O=Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[O-] ZINC000026544044 564056567 /nfs/dbraw/zinc/05/65/67/564056567.db2.gz NXNFVRYMWZKGRQ-UHFFFAOYSA-N -1 3 334.215 4.909 40 0 EJABHM CCCCCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016638447 563818190 /nfs/dbraw/zinc/81/81/90/563818190.db2.gz VEXNYJODNBOGFG-UHFFFAOYSA-N -1 3 331.481 4.919 40 0 EJABHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000000482405 564012463 /nfs/dbraw/zinc/01/24/63/564012463.db2.gz RGNSUDSOJLTOPT-UHFFFAOYSA-N -1 3 343.835 4.808 40 0 EJABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014255597 564021717 /nfs/dbraw/zinc/02/17/17/564021717.db2.gz NOWRFGJJEDBZHZ-UHFFFAOYSA-N -1 3 331.481 4.537 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(C)C ZINC000224012309 564041406 /nfs/dbraw/zinc/04/14/06/564041406.db2.gz HBWBHWKWLWQRCV-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(C)C ZINC000225308342 564045822 /nfs/dbraw/zinc/04/58/22/564045822.db2.gz XHQCJASSGGNNMW-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM CCCCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000070462020 564063615 /nfs/dbraw/zinc/06/36/15/564063615.db2.gz IUPFBDNACNQHNC-UHFFFAOYSA-N -1 3 338.407 4.946 40 0 EJABHM CC(C)CN(Cc1ccccc1)C(=O)c1ccc2[n-]c(Cl)nc2c1 ZINC000225986262 242082676 /nfs/dbraw/zinc/08/26/76/242082676.db2.gz ZFKLEHWFXNCMKA-UHFFFAOYSA-N -1 3 341.842 4.515 40 0 EJABHM CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc([O-])cc1 ZINC000100202222 206218527 /nfs/dbraw/zinc/21/85/27/206218527.db2.gz AXLXCETVFZNQRI-HTXNQAPBSA-N -1 3 330.840 4.828 40 0 EJABHM Cc1ccc2oc(-c3cc(NC(=O)c4ccco4)cc(C)c3[O-])nc2c1 ZINC000004988481 210350628 /nfs/dbraw/zinc/35/06/28/210350628.db2.gz JHFIGVJKDGNWBY-UHFFFAOYSA-N -1 3 348.358 4.663 40 0 EJABHM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000223434936 564039988 /nfs/dbraw/zinc/03/99/88/564039988.db2.gz FCAIOYZPTGGSNM-UHFFFAOYSA-N -1 3 348.276 4.516 40 0 EJABHM O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c([O-])ccc2ccccc21 ZINC000000070779 563215124 /nfs/dbraw/zinc/21/51/24/563215124.db2.gz NWSGWHIJSBTUSJ-GZTJUZNOSA-N -1 3 349.773 4.543 40 0 EJABHM Cc1cccc(-n2c(N)c(-c3nc4ccccc4[n-]3)sc2=S)c1 ZINC000013216635 563692382 /nfs/dbraw/zinc/69/23/82/563692382.db2.gz HPUFDXLCXITGKG-UHFFFAOYSA-N -1 3 338.461 4.702 40 0 EJABHM Cc1c(Br)c([O-])c(C(C)C)cc1NC(=O)c1ccccc1 ZINC000026787196 563893385 /nfs/dbraw/zinc/89/33/85/563893385.db2.gz IPLFNQFEGZPTTG-UHFFFAOYSA-N -1 3 348.240 4.839 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(C)c1 ZINC000096659383 563980995 /nfs/dbraw/zinc/98/09/95/563980995.db2.gz UUYXSOXEVWEAPC-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)cc3F)s2)cc1 ZINC000225069757 564044672 /nfs/dbraw/zinc/04/46/72/564044672.db2.gz QAZJERXISOJNCT-UHFFFAOYSA-N -1 3 347.802 4.558 40 0 EJABHM O=c1oc2ccccc2c(-c2ccc(O)cc2)c1-c1ccc([O-])cc1 ZINC000002573901 564151013 /nfs/dbraw/zinc/15/10/13/564151013.db2.gz AAWIIFRBYZBHQO-UHFFFAOYSA-N -1 3 330.339 4.538 40 0 EJABHM Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(Br)c1[O-] ZINC000216739216 241208126 /nfs/dbraw/zinc/20/81/26/241208126.db2.gz CIPFSCZMNFVLHV-UHFFFAOYSA-N -1 3 348.240 4.839 40 0 EJABHM Cc1c(Cl)cccc1NCc1ccc([O-])c(Br)c1 ZINC000062700945 564051003 /nfs/dbraw/zinc/05/10/03/564051003.db2.gz HHTKFURZQMCKHV-UHFFFAOYSA-N -1 3 326.621 4.729 40 0 EJABHM O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1c([O-])ccc2ccccc21 ZINC000008642194 563633961 /nfs/dbraw/zinc/63/39/61/563633961.db2.gz OPPMZBLNYSANML-ANMLQGLPSA-N -1 3 341.366 4.555 40 0 EJABHM Clc1ccc(CSc2nnc(-c3ccco3)[n-]2)c(Cl)c1 ZINC000409269819 564011441 /nfs/dbraw/zinc/01/14/41/564011441.db2.gz FECNEEGSBHWBDE-UHFFFAOYSA-N -1 3 326.208 4.664 40 0 EJABHM Clc1ccc(CSc2nc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000409269819 564011442 /nfs/dbraw/zinc/01/14/42/564011442.db2.gz FECNEEGSBHWBDE-UHFFFAOYSA-N -1 3 326.208 4.664 40 0 EJABHM Clc1ccc(CSc2n[n-]c(-c3ccco3)n2)c(Cl)c1 ZINC000409269819 564011443 /nfs/dbraw/zinc/01/14/43/564011443.db2.gz FECNEEGSBHWBDE-UHFFFAOYSA-N -1 3 326.208 4.664 40 0 EJABHM [O-]c1ccc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000058615280 564050360 /nfs/dbraw/zinc/05/03/60/564050360.db2.gz IXHXXTMVAPJHKB-UHFFFAOYSA-N -1 3 330.584 4.559 40 0 EJABHM CCCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(CC)ccc3o2)c1 ZINC000070462016 564063610 /nfs/dbraw/zinc/06/36/10/564063610.db2.gz UIYOJBLDAYQOKC-UHFFFAOYSA-N -1 3 338.407 4.810 40 0 EJABHM CCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000020158366 212107449 /nfs/dbraw/zinc/10/74/49/212107449.db2.gz YREZXOIPEDCWAX-UHFFFAOYSA-N -1 3 326.421 4.798 40 0 EJABHM CC1(C)C(c2ccccc2)=Nc2nonc2[N-][C@]1(C)c1ccccc1 ZINC000408721509 257891060 /nfs/dbraw/zinc/89/10/60/257891060.db2.gz ITGZCQDIIJKZCS-HXUWFJFHSA-N -1 3 332.407 4.558 40 0 EJABHM O=C(Nc1ccc([O-])c(Br)c1)c1ccc2ccccc2c1 ZINC000003074227 563471069 /nfs/dbraw/zinc/47/10/69/563471069.db2.gz NOKOABUFCKKTIV-UHFFFAOYSA-N -1 3 342.192 4.560 40 0 EJABHM Fc1ccc(-c2cc(-c3nnn[n-]3)c(-c3ccc(F)cc3)s2)cc1 ZINC000035017884 564057662 /nfs/dbraw/zinc/05/76/62/564057662.db2.gz BRRVEVGTVZJWMC-UHFFFAOYSA-N -1 3 340.358 4.540 40 0 EJABHM Fc1ccc(-c2cc(-c3nn[n-]n3)c(-c3ccc(F)cc3)s2)cc1 ZINC000035017884 564057663 /nfs/dbraw/zinc/05/76/63/564057663.db2.gz BRRVEVGTVZJWMC-UHFFFAOYSA-N -1 3 340.358 4.540 40 0 EJABHM O=Cc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1[O-] ZINC000096312818 564093444 /nfs/dbraw/zinc/09/34/44/564093444.db2.gz JVIWJCKXGRDQLU-UHFFFAOYSA-N -1 3 334.215 4.909 40 0 EJABHM Cc1ccc(NC([O-])=NOCc2ccccc2Cl)cc1Cl ZINC000004290494 210161997 /nfs/dbraw/zinc/16/19/97/210161997.db2.gz GBTWMAYKPDBMFD-UHFFFAOYSA-N -1 3 325.195 4.555 40 0 EJABHM Cc1ccc(NC(=O)[N-]OCc2ccccc2Cl)cc1Cl ZINC000004290494 210162000 /nfs/dbraw/zinc/16/20/00/210162000.db2.gz GBTWMAYKPDBMFD-UHFFFAOYSA-N -1 3 325.195 4.555 40 0 EJABHM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000022259163 212286621 /nfs/dbraw/zinc/28/66/21/212286621.db2.gz RVIRARXOMFTJNY-UHFFFAOYSA-N -1 3 344.263 4.918 40 0 EJABHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 ZINC000033557141 257855317 /nfs/dbraw/zinc/85/53/17/257855317.db2.gz WPKURZHZZVWWPN-SDQBBNPISA-N -1 3 340.187 4.577 40 0 EJABHM COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1[O-] ZINC000408610736 563498650 /nfs/dbraw/zinc/49/86/50/563498650.db2.gz RXZCIHAZFJOCRB-UHFFFAOYSA-N -1 3 332.614 4.973 40 0 EJABHM O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1c([O-])ccc2ccccc21 ZINC000001735719 563408563 /nfs/dbraw/zinc/40/85/63/563408563.db2.gz OPPMZBLNYSANML-NIEGGPFSSA-N -1 3 341.366 4.555 40 0 EJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000005598830 563542208 /nfs/dbraw/zinc/54/22/08/563542208.db2.gz VKRRLEQQPSSSJB-UHFFFAOYSA-N -1 3 339.416 4.588 40 0 EJABHM CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1[O-] ZINC000076275241 563921559 /nfs/dbraw/zinc/92/15/59/563921559.db2.gz NOFBWKWWYIVLTQ-UHFFFAOYSA-N -1 3 330.186 4.849 40 0 EJABHM O=C([O-])c1ccccc1-c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000257308548 564055195 /nfs/dbraw/zinc/05/51/95/564055195.db2.gz TXDXZXOMLPNOBB-UHFFFAOYSA-N -1 3 343.426 4.610 40 0 EJABHM COc1ccc(-c2c(=O)oc3ccccc3c2-c2ccc([O-])cc2)cc1 ZINC000001680078 564099023 /nfs/dbraw/zinc/09/90/23/564099023.db2.gz UQQONGPTWUTIEJ-UHFFFAOYSA-N -1 3 344.366 4.841 40 0 EJABHM Cc1nc2cccc(-c3cc(-c4cc(Cl)ccc4[O-])n[nH]3)c2o1 ZINC000004576399 210224390 /nfs/dbraw/zinc/22/43/90/210224390.db2.gz NNQHYFMBHDKSQV-UHFFFAOYSA-N -1 3 325.755 4.552 40 0 EJABHM Cc1cc(C(=O)CCCC(=O)c2cc(C)c(O)c(C)c2)cc(C)c1[O-] ZINC000001680957 563402665 /nfs/dbraw/zinc/40/26/65/563402665.db2.gz WAFVKZSSATUCSS-UHFFFAOYSA-N -1 3 340.419 4.567 40 0 EJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000005598848 563542152 /nfs/dbraw/zinc/54/21/52/563542152.db2.gz KQGPNYJGQJPNEA-UHFFFAOYSA-N -1 3 339.416 4.588 40 0 EJABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(C)C ZINC000408679512 563558710 /nfs/dbraw/zinc/55/87/10/563558710.db2.gz MZADVZQPQHMTCK-UHFFFAOYSA-N -1 3 347.480 4.743 40 0 EJABHM Cc1c(OCc2n[n-]c(=S)n2-c2ccccc2)ccc2ccccc21 ZINC000006571341 563573197 /nfs/dbraw/zinc/57/31/97/563573197.db2.gz YIDZYPZOWOPWQB-UHFFFAOYSA-N -1 3 347.443 4.597 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(C)C ZINC000222733320 564037578 /nfs/dbraw/zinc/03/75/78/564037578.db2.gz SXCUWXVAIYBFEV-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(C)c1C ZINC000224685495 564043463 /nfs/dbraw/zinc/04/34/63/564043463.db2.gz NHSDLTZLXZDIBC-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(C)C ZINC000224902993 564043896 /nfs/dbraw/zinc/04/38/96/564043896.db2.gz KTGIAADOGYOEFZ-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM CC(C)(C)OC(=O)n1c2ccccc2cc1-c1ccc([O-])c(C=O)c1 ZINC000096312847 564093430 /nfs/dbraw/zinc/09/34/30/564093430.db2.gz ZKBAISWJMZFLJA-UHFFFAOYSA-N -1 3 337.375 4.610 40 0 EJABHM O=C(c1c[n-]c2ccccc2c1=O)N(c1ccccc1)c1ccccc1 ZINC000000043494 209387198 /nfs/dbraw/zinc/38/71/98/209387198.db2.gz SELGYTZPMMPMAY-UHFFFAOYSA-N -1 3 340.382 4.507 40 0 EJABHM O=C(c1cnc2ccccc2c1[O-])N(c1ccccc1)c1ccccc1 ZINC000000043494 209387201 /nfs/dbraw/zinc/38/72/01/209387201.db2.gz SELGYTZPMMPMAY-UHFFFAOYSA-N -1 3 340.382 4.507 40 0 EJABHM Cc1noc([N-]C(=O)Nc2ccc(Cl)cc2)c1-c1ccccc1 ZINC000020636208 212159238 /nfs/dbraw/zinc/15/92/38/212159238.db2.gz UAKJJMPMYSYGRG-UHFFFAOYSA-N -1 3 327.771 4.947 40 0 EJABHM O=C(CCCCCCCCc1ccccc1)c1c(O)cc([O-])cc1O ZINC000014652564 563986336 /nfs/dbraw/zinc/98/63/36/563986336.db2.gz OOGZWXIAHJKVAH-UHFFFAOYSA-N -1 3 342.435 4.960 40 0 biogenic,in-vitro EJABHM Cc1ccc(NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000057998011 564035425 /nfs/dbraw/zinc/03/54/25/564035425.db2.gz AQAVJEIJDHPGHT-UHFFFAOYSA-N -1 3 326.621 4.729 40 0 EJABHM Cc1ccc2oc(-c3cc(NC(=O)CC(C)C)cc(C)c3[O-])nc2c1 ZINC000070462033 564063651 /nfs/dbraw/zinc/06/36/51/564063651.db2.gz GTFMXGIIJPKQIW-UHFFFAOYSA-N -1 3 338.407 4.802 40 0 EJABHM Cc1ccc(-n2c(COc3cccc4ccccc43)n[n-]c2=S)cc1 ZINC000013535188 564074280 /nfs/dbraw/zinc/07/42/80/564074280.db2.gz HUXSLJACCZAMHQ-UHFFFAOYSA-N -1 3 347.443 4.597 40 0 EJABHM O=C(CSc1cccc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000033525939 564128307 /nfs/dbraw/zinc/12/83/07/564128307.db2.gz GNFZTSMOVMZUSC-UHFFFAOYSA-N -1 3 343.835 4.930 40 0 EJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000014255768 211724749 /nfs/dbraw/zinc/72/47/49/211724749.db2.gz OPKAYJXRZPWMES-UHFFFAOYSA-N -1 3 331.481 4.953 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C ZINC000096659372 218886135 /nfs/dbraw/zinc/88/61/35/218886135.db2.gz KCSYREIHEXKZHB-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000016385225 563810161 /nfs/dbraw/zinc/81/01/61/563810161.db2.gz NTZPLLUZAFVWMM-SDQBBNPISA-N -1 3 340.187 4.577 40 0 EJABHM O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c([O-])ccc2ccccc21 ZINC000033849109 563916589 /nfs/dbraw/zinc/91/65/89/563916589.db2.gz NWSGWHIJSBTUSJ-BOPFTXTBSA-N -1 3 349.773 4.543 40 0 EJABHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc2ccccc2o1 ZINC000000150295 563987371 /nfs/dbraw/zinc/98/73/71/563987371.db2.gz RDYLSSAKZJCKCV-UHFFFAOYSA-N -1 3 327.409 4.584 40 0 EJABHM O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1[O-] ZINC000409412014 564012049 /nfs/dbraw/zinc/01/20/49/564012049.db2.gz PQJRXJXKLGPWBI-UHFFFAOYSA-N -1 3 343.835 4.930 40 0 EJABHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(C)C ZINC000223474553 564040197 /nfs/dbraw/zinc/04/01/97/564040197.db2.gz MBKGNFUXKZWTBL-UHFFFAOYSA-N -1 3 347.480 4.545 40 0 EJABHM Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ccccc3s2)c1[O-] ZINC000030826661 564079332 /nfs/dbraw/zinc/07/93/32/564079332.db2.gz GBBNPZPFBBNRBO-UHFFFAOYSA-N -1 3 340.448 4.962 40 0 EJABHM [O-]c1c(Br)cc(Br)cc1C1CCCCC1 ZINC000001627270 563397819 /nfs/dbraw/zinc/39/78/19/563397819.db2.gz FWJGNLDNTRUAGF-UHFFFAOYSA-N -1 3 334.051 4.965 40 0 EJABHM [O-]c1cc2ccccc2cc1-c1nnc(SCc2ccccc2)o1 ZINC000000411410 563997043 /nfs/dbraw/zinc/99/70/43/563997043.db2.gz RYYGAJLOYFDHBX-UHFFFAOYSA-N -1 3 334.400 4.888 40 0 EJABHM O=C([N-]c1c(F)cccc1F)c1cc2cc3ccccc3nc2s1 ZINC000223130083 564038983 /nfs/dbraw/zinc/03/89/83/564038983.db2.gz SJFJBFSIGNQBNM-UHFFFAOYSA-N -1 3 340.354 4.980 40 0 EJABHM Cc1ccc2oc(=O)c(-c3ccc([O-])cc3)c(-c3ccc(O)cc3)c2c1 ZINC000002573906 564151038 /nfs/dbraw/zinc/15/10/38/564151038.db2.gz OICXSGJVOXVUCO-UHFFFAOYSA-N -1 3 344.366 4.847 40 0 EJABHM Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[n-]2)sc1=S ZINC000013216659 563692277 /nfs/dbraw/zinc/69/22/77/563692277.db2.gz CPVADMYHLJQWKK-UHFFFAOYSA-N -1 3 338.461 4.702 40 0 EJABHM O=C1S/C(=C/c2c([O-])ccc3ccccc32)C(=O)N1c1ccccc1 ZINC000408806642 564007306 /nfs/dbraw/zinc/00/73/06/564007306.db2.gz APZQJPIKRLPQSO-LDADJPATSA-N -1 3 347.395 4.786 40 0 EJABHM Cc1ccc2oc(=O)c(-c3ccccc3)c(-c3cc([O-])cc(O)c3)c2c1 ZINC000002573907 564151030 /nfs/dbraw/zinc/15/10/30/564151030.db2.gz NEIXSSQTVXMABP-UHFFFAOYSA-N -1 3 344.366 4.847 40 0 EJABHM O=C([N-]c1cc(F)ccc1F)c1ncoc1-c1cccc(Cl)c1 ZINC000005002062 210357452 /nfs/dbraw/zinc/35/74/52/210357452.db2.gz QVHVRUVRNMAARN-UHFFFAOYSA-N -1 3 334.709 4.526 40 0 EJABHM [O-]c1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1 ZINC000000410800 563308042 /nfs/dbraw/zinc/30/80/42/563308042.db2.gz UURBLVPMIPWZBJ-UHFFFAOYSA-N -1 3 336.775 4.527 40 0 EJABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C ZINC000408551778 563462020 /nfs/dbraw/zinc/46/20/20/563462020.db2.gz IXOZJLODZIBHKZ-UHFFFAOYSA-N -1 3 347.480 4.626 40 0 EJABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000408553909 563474054 /nfs/dbraw/zinc/47/40/54/563474054.db2.gz RKYFXOAZUVJVBW-UHFFFAOYSA-N -1 3 347.480 4.537 40 0 EJABHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000014254908 563755950 /nfs/dbraw/zinc/75/59/50/563755950.db2.gz WLCBIXILCKDKKS-UHFFFAOYSA-N -1 3 344.263 4.918 40 0 EJABHM Cc1ccc(-c2nnc([N-]C(=O)c3cc4ccccc4o3)s2)cc1 ZINC000225408328 564046484 /nfs/dbraw/zinc/04/64/84/564046484.db2.gz UAOXRQQSNIJGHS-UHFFFAOYSA-N -1 3 335.388 4.512 40 0 EJABHM