smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001211489959 1018888684 /nfs/dbraw/zinc/88/86/84/1018888684.db2.gz LNBRYWJLXCEQEK-UHFFFAOYSA-N -2 3 333.212 4.131 20 0 EIADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccc(Cl)cc1Cl ZINC001225023122 1037650589 /nfs/dbraw/zinc/65/05/89/1037650589.db2.gz VEJCIANVEUPBEH-SECBINFHSA-N -2 3 327.144 4.029 20 0 EIADHL O=C([O-])C/C(=C/c1ccc([O-])c(F)c1)c1nc2ccccc2s1 ZINC000436534797 1041317209 /nfs/dbraw/zinc/31/72/09/1041317209.db2.gz QGVJJSRCQUNGQA-XFFZJAGNSA-N -2 3 329.352 4.156 20 0 EIADHL O=S(=O)([O-])c1c(Nc2cccc([O-])c2Cl)ccc2ccccc21 ZINC001210854689 1021804086 /nfs/dbraw/zinc/80/40/86/1021804086.db2.gz KCVOYHXDKUUHSF-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc2ccccc2s1 ZINC001185459370 1052243497 /nfs/dbraw/zinc/24/34/97/1052243497.db2.gz FQWMPWHPVKPKKI-UHFFFAOYSA-N -2 3 339.825 4.061 20 0 EIADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000014097310 1053631735 /nfs/dbraw/zinc/63/17/35/1053631735.db2.gz LSYPFEXVPNTHBE-GFCCVEGCSA-N -2 3 347.436 4.008 20 0 EIADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C(F)(F)F ZINC001211487912 1018794200 /nfs/dbraw/zinc/79/42/00/1018794200.db2.gz WLPZHAXIOXWWFE-UHFFFAOYSA-N -2 3 333.212 4.131 20 0 EIADHL CCOc1cc(CNc2cccc(CCC(=O)[O-])c2)cc(Cl)c1[O-] ZINC000263481164 1046294391 /nfs/dbraw/zinc/29/43/91/1046294391.db2.gz GIYITMNJGGLIMO-UHFFFAOYSA-N -2 3 349.814 4.074 20 0 EIADHL Cc1c(Cl)cc(NC(=O)Cc2ccc([O-])c(F)c2)c([O-])c1Cl ZINC001144630989 1048765656 /nfs/dbraw/zinc/76/56/56/1048765656.db2.gz AIHLHIVUBQQTJH-UHFFFAOYSA-N -2 3 344.169 4.033 20 0 EIADHL CCOc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc(Cl)c1[O-] ZINC000186961664 1022808690 /nfs/dbraw/zinc/80/86/90/1022808690.db2.gz CYQUMHULKLLLMV-UHFFFAOYSA-N -2 3 342.178 4.056 20 0 EIADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877237 1026654151 /nfs/dbraw/zinc/65/41/51/1026654151.db2.gz MYCRVMGKHOBMAY-UHFFFAOYSA-N -2 3 331.677 4.022 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)[O-])cc2Cl)CC)n1 ZINC000435339620 1040295595 /nfs/dbraw/zinc/29/55/95/1040295595.db2.gz WJZHTQXUVORKKG-DHZHZOJOSA-N -2 3 346.814 4.437 20 0 EIADHL O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cc(Cl)ccc1[O-] ZINC000768880511 1045853201 /nfs/dbraw/zinc/85/32/01/1045853201.db2.gz CVNBJWWUXCLGLD-VOTSOKGWSA-N -2 3 344.219 4.112 20 0 EIADHL O=C([O-])/C=C/c1cnc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000811691840 1049229875 /nfs/dbraw/zinc/22/98/75/1049229875.db2.gz SWADIPYHGLQBNJ-ZPUQHVIOSA-N -2 3 341.310 4.136 20 0 EIADHL [O-]c1ccc(Nc2ccc(F)c(Br)c2[O-])c(F)c1F ZINC001212013939 1045835436 /nfs/dbraw/zinc/83/54/36/1045835436.db2.gz QMSRMAKFPRJKNS-UHFFFAOYSA-N -2 3 334.091 4.021 20 0 EIADHL [O-]c1cc(F)c(Nc2ccc(F)c(Br)c2[O-])c(F)c1 ZINC001175099456 1051346228 /nfs/dbraw/zinc/34/62/28/1051346228.db2.gz HPUDCOFZBYBEDC-UHFFFAOYSA-N -2 3 334.091 4.021 20 0 EIADHL CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184653915 1052072187 /nfs/dbraw/zinc/07/21/87/1052072187.db2.gz UZWMFLPMOVDDEI-GFCCVEGCSA-N -2 3 347.436 4.008 20 0 EIADHL O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cc(Cl)ccc1[O-] ZINC000728149909 1043377866 /nfs/dbraw/zinc/37/78/66/1043377866.db2.gz VCQXMKHAGLJJFR-BQYQJAHWSA-N -2 3 344.219 4.112 20 0 EIADHL O=C(Nc1ccc(Cl)cc1[O-])c1c([O-])cc(Cl)cc1Cl ZINC001183136354 1051798225 /nfs/dbraw/zinc/79/82/25/1051798225.db2.gz VIENHSAPYFOFCQ-UHFFFAOYSA-N -2 3 332.570 4.310 20 0 EIADHL [O-]c1c(F)cc(Nc2ccc(F)c(Br)c2[O-])cc1F ZINC001213386639 1028775539 /nfs/dbraw/zinc/77/55/39/1028775539.db2.gz MXUXRDGVYUVRPP-UHFFFAOYSA-N -2 3 334.091 4.021 20 0 EIADHL C[C@@](CC(=O)[O-])(C(=O)Nc1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000237576986 1031664843 /nfs/dbraw/zinc/66/48/43/1031664843.db2.gz VOAXLCPDTWIGBZ-KRWDZBQOSA-N -2 3 339.819 4.045 20 0 EIADHL O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1cc(Cl)ccc1[O-] ZINC000740811322 1045228063 /nfs/dbraw/zinc/22/80/63/1045228063.db2.gz BADCOZVLGIKNBZ-FPLPWBNLSA-N -2 3 344.219 4.112 20 0 EIADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([O-])c2ccccc2c1 ZINC000805257116 1046870592 /nfs/dbraw/zinc/87/05/92/1046870592.db2.gz RASOHMUMNFQZHZ-UHFFFAOYSA-N -2 3 331.730 4.296 20 0 EIADHL O=C([O-])c1ccc([N-]c2nc3cc(Br)ccc3o2)s1 ZINC001174806246 1051198876 /nfs/dbraw/zinc/19/88/76/1051198876.db2.gz XVGZGCDGKBRQMO-UHFFFAOYSA-N -2 3 339.170 4.094 20 0 EIADHL Cc1nnc([N-]c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)o1 ZINC001174851886 1051213618 /nfs/dbraw/zinc/21/36/18/1051213618.db2.gz AIZWONSQJARMDL-UHFFFAOYSA-N -2 3 346.346 4.035 20 0 EIADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000072045265 202365730 /nfs/dbraw/zinc/36/57/30/202365730.db2.gz JZIOPLPEZQBNAV-GFCCVEGCSA-N -2 3 347.436 4.008 20 0 EIADHL O=C([O-])c1cc(Cl)cc(Nc2cccc([O-])c2Br)c1 ZINC001211969365 1032135439 /nfs/dbraw/zinc/13/54/39/1032135439.db2.gz GFYRLVRZVJNKBS-UHFFFAOYSA-N -2 3 342.576 4.250 20 0 EIADHL COc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc(Cl)c1[O-] ZINC000684844249 1026538701 /nfs/dbraw/zinc/53/87/01/1026538701.db2.gz NWGKKNGKEGXYRE-WAYWQWQTSA-N -2 3 345.738 4.064 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(C(=O)[O-])cc2F)CC)n1 ZINC000865223236 1053445641 /nfs/dbraw/zinc/44/56/41/1053445641.db2.gz FWXTYQABIRLJRI-UXBLZVDNSA-N -2 3 348.349 4.062 20 0 EIADHL O=S(=O)([O-])c1cccc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212593454 1060887583 /nfs/dbraw/zinc/88/75/83/1060887583.db2.gz RQPJVUHZGXHRCH-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000391629010 1042945952 /nfs/dbraw/zinc/94/59/52/1042945952.db2.gz VFEIKKVDGDZRJN-GFCCVEGCSA-N -2 3 347.436 4.008 20 0 EIADHL O=C([O-])/C=C\c1cnc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000811691839 1049228939 /nfs/dbraw/zinc/22/89/39/1049228939.db2.gz SWADIPYHGLQBNJ-TZFCGSKZSA-N -2 3 341.310 4.136 20 0 EIADHL [O-]c1cc(F)c(Nc2ccc(Br)cc2[S-])c(F)c1 ZINC001175099383 1051344728 /nfs/dbraw/zinc/34/47/28/1051344728.db2.gz DJOHNMQRSBQSBA-UHFFFAOYSA-N -2 3 332.169 4.465 20 0 EIADHL O=C([O-])C1(c2ccc(Nc3cccc([O-])c3Br)cc2)CC1 ZINC001176588947 1052123380 /nfs/dbraw/zinc/12/33/80/1052123380.db2.gz PXDRBGQAPGAYNM-UHFFFAOYSA-N -2 3 348.196 4.015 20 0 EIADHL O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593518 1060887361 /nfs/dbraw/zinc/88/73/61/1060887361.db2.gz VRVSQDJGXURHJW-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)cc(F)c1[O-] ZINC001211626433 1030528158 /nfs/dbraw/zinc/52/81/58/1030528158.db2.gz FGZBTAQAUQTMSQ-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cc(Cl)ccc1[O-] ZINC000768880509 1048804537 /nfs/dbraw/zinc/80/45/37/1048804537.db2.gz CVNBJWWUXCLGLD-SREVYHEPSA-N -2 3 344.219 4.112 20 0 EIADHL O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccc([O-])c(F)c1 ZINC001148253856 1049288873 /nfs/dbraw/zinc/28/88/73/1049288873.db2.gz WXGQYYCLFINSIC-UHFFFAOYSA-N -2 3 331.730 4.296 20 0 EIADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2sccc2c([O-])c1 ZINC001625779318 1018828997 /nfs/dbraw/zinc/82/89/97/1018828997.db2.gz KEEMKPDNDMJLMR-UHFFFAOYSA-N -2 3 337.759 4.357 20 0 EIADHL Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)cc(F)c1[O-] ZINC001174984990 1051303969 /nfs/dbraw/zinc/30/39/69/1051303969.db2.gz YHDBOXPVLWUDKE-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(C(=O)[O-])c2Cl)CC)n1 ZINC000435339337 1040293797 /nfs/dbraw/zinc/29/37/97/1040293797.db2.gz SCLKGVDMYOJIOG-LUAWRHEFSA-N -2 3 346.814 4.437 20 0 EIADHL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccc2occc2c1 ZINC001198856696 1054283575 /nfs/dbraw/zinc/28/35/75/1054283575.db2.gz POXXDXLKRRCNEO-UHFFFAOYSA-N -2 3 339.825 4.176 20 0 EIADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc([O-])c1Br ZINC001210010082 1020713040 /nfs/dbraw/zinc/71/30/40/1020713040.db2.gz IACNIVWGCGVZBQ-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL Cc1cc(Nc2cc(Br)cc(F)c2[O-])cc(C(=O)[O-])c1 ZINC001211547384 1026738223 /nfs/dbraw/zinc/73/82/23/1026738223.db2.gz NOFBWSYTFVUJGM-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL CCOc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc(Cl)c1[O-] ZINC000436785957 1041480846 /nfs/dbraw/zinc/48/08/46/1041480846.db2.gz WOZGBYIXUZWPKE-PLNGDYQASA-N -2 3 339.800 4.078 20 0 EIADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000391629011 1042945489 /nfs/dbraw/zinc/94/54/89/1042945489.db2.gz VFEIKKVDGDZRJN-LBPRGKRZSA-N -2 3 347.436 4.008 20 0 EIADHL O=S(=O)([O-])c1ccc(Nc2cccc(Cl)c2[O-])c2ccccc21 ZINC001210223568 1020964859 /nfs/dbraw/zinc/96/48/59/1020964859.db2.gz ZYIOVRQEBBQIIH-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL Cc1cc(Nc2cc(Br)cc(F)c2[O-])ccc1C(=O)[O-] ZINC001211660704 1023933330 /nfs/dbraw/zinc/93/33/30/1023933330.db2.gz HUTOWXPLLAWJQG-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc([O-])ccc1Cl ZINC000232382738 1044928231 /nfs/dbraw/zinc/92/82/31/1044928231.db2.gz GAVFPMCERUHXFC-UHFFFAOYSA-N -2 3 332.570 4.310 20 0 EIADHL O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1ccc(Cl)cc1[O-] ZINC000768890002 1045853785 /nfs/dbraw/zinc/85/37/85/1045853785.db2.gz RDWHVYOFZLJMCT-SREVYHEPSA-N -2 3 344.219 4.112 20 0 EIADHL O=c1[n-]c(F)c(Cl)c(Nc2c(Cl)ccc([O-])c2F)c1Cl ZINC001214556322 1059427026 /nfs/dbraw/zinc/42/70/26/1059427026.db2.gz PRWFLXOLUYLSQB-UHFFFAOYSA-N -2 3 341.528 4.475 20 0 EIADHL O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cc(Cl)ccc1[O-] ZINC000728149911 1043377189 /nfs/dbraw/zinc/37/71/89/1043377189.db2.gz VCQXMKHAGLJJFR-FPLPWBNLSA-N -2 3 344.219 4.112 20 0 EIADHL O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1ccc(Cl)cc1[O-] ZINC000768890003 1045854387 /nfs/dbraw/zinc/85/43/87/1045854387.db2.gz RDWHVYOFZLJMCT-VOTSOKGWSA-N -2 3 344.219 4.112 20 0 EIADHL O=S(=O)([O-])c1c(Nc2ccc(Cl)c([O-])c2)ccc2ccccc21 ZINC001212593004 1060892562 /nfs/dbraw/zinc/89/25/62/1060892562.db2.gz AWAGUZBUUHBWMY-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2c(cc1[O-])CCCC2 ZINC001625779891 1018849100 /nfs/dbraw/zinc/84/91/00/1018849100.db2.gz XNWREZJBAZYWFD-UHFFFAOYSA-N -2 3 335.762 4.021 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C(=O)[O-])c(C)cc2C)CC)n1 ZINC000530529132 1030511377 /nfs/dbraw/zinc/51/13/77/1030511377.db2.gz NZZRQBVHPJOTOD-ZROIWOOFSA-N -2 3 340.423 4.400 20 0 EIADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000391990239 1043100289 /nfs/dbraw/zinc/10/02/89/1043100289.db2.gz ZDPGNBWTMFSUTK-LBPRGKRZSA-N -2 3 347.436 4.008 20 0 EIADHL C[C@](CC(=O)[O-])(C(=O)Nc1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000237614192 1032123296 /nfs/dbraw/zinc/12/32/96/1032123296.db2.gz VOAXLCPDTWIGBZ-QGZVFWFLSA-N -2 3 339.819 4.045 20 0 EIADHL O=S(=O)([O-])c1ccc(Nc2cccc([O-])c2Cl)c2ccccc21 ZINC001210854719 1021804035 /nfs/dbraw/zinc/80/40/35/1021804035.db2.gz KVLJRNSYFZNBIF-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC000183806334 1030032429 /nfs/dbraw/zinc/03/24/29/1030032429.db2.gz RNAKDAWAYNKKOC-UHFFFAOYSA-N -2 3 339.800 4.384 20 0 EIADHL Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1C(=O)[O-] ZINC001211606367 1029503331 /nfs/dbraw/zinc/50/33/31/1029503331.db2.gz NPYGKMBCBAXFIM-UHFFFAOYSA-N -2 3 340.148 4.044 20 0 EIADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC000187207994 1043388808 /nfs/dbraw/zinc/38/88/08/1043388808.db2.gz QWVOGXGDKRACFV-UHFFFAOYSA-N -2 3 348.569 4.016 20 0 EIADHL [O-]c1ccc(Nc2ccc(Br)cc2[S-])c(F)c1F ZINC001212013706 1045835119 /nfs/dbraw/zinc/83/51/19/1045835119.db2.gz FXVHKRAIMJWYGO-UHFFFAOYSA-N -2 3 332.169 4.465 20 0 EIADHL CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184653922 1052072477 /nfs/dbraw/zinc/07/24/77/1052072477.db2.gz UZWMFLPMOVDDEI-LBPRGKRZSA-N -2 3 347.436 4.008 20 0 EIADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc2ccccc2s1 ZINC001185462942 1052245169 /nfs/dbraw/zinc/24/51/69/1052245169.db2.gz QPFSQCKTHNGFIN-UHFFFAOYSA-N -2 3 339.825 4.061 20 0 EIADHL O=S(=O)([O-])c1ccc(Nc2ccc(Cl)c([O-])c2)c2ccccc21 ZINC001212593531 1060886276 /nfs/dbraw/zinc/88/62/76/1060886276.db2.gz WFIFTQIDLRNQIV-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL [O-]c1cc(Nc2ccc(F)c(Br)c2[O-])ccc1Cl ZINC001212593942 1060913186 /nfs/dbraw/zinc/91/31/86/1060913186.db2.gz MMUOQJIFQJFBKR-UHFFFAOYSA-N -2 3 332.556 4.396 20 0 EIADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccc(Cl)cc1Cl ZINC001225023126 1037648801 /nfs/dbraw/zinc/64/88/01/1037648801.db2.gz VEJCIANVEUPBEH-VIFPVBQESA-N -2 3 327.144 4.029 20 0 EIADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000065844482 1046522773 /nfs/dbraw/zinc/52/27/73/1046522773.db2.gz JZIOPLPEZQBNAV-LBPRGKRZSA-N -2 3 347.436 4.008 20 0 EIADHL C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([S-])cc([S-])c1 ZINC001170685675 1049569488 /nfs/dbraw/zinc/56/94/88/1049569488.db2.gz DFMRDWPCCCMCIP-NSHDSACASA-N -2 3 327.478 4.136 20 0 EIADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC001151768658 1051006973 /nfs/dbraw/zinc/00/69/73/1051006973.db2.gz JTORJCVZDDJMLG-UHFFFAOYSA-N -2 3 332.570 4.310 20 0 EIADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([O-])ccc1Cl ZINC000236557279 1022203505 /nfs/dbraw/zinc/20/35/05/1022203505.db2.gz WVCHSFKJYYADLJ-UHFFFAOYSA-N -2 3 332.570 4.310 20 0 EIADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000391990235 1043101279 /nfs/dbraw/zinc/10/12/79/1043101279.db2.gz ZDPGNBWTMFSUTK-GFCCVEGCSA-N -2 3 347.436 4.008 20 0 EIADHL O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cc(Cl)ccc1[O-] ZINC000740811321 1045228479 /nfs/dbraw/zinc/22/84/79/1045228479.db2.gz BADCOZVLGIKNBZ-BQYQJAHWSA-N -2 3 344.219 4.112 20 0 EIADHL O=C([O-])c1cc(Nc2ncc(Cl)cc2[O-])c(Cl)cc1Cl ZINC001216358483 1026206021 /nfs/dbraw/zinc/20/60/21/1026206021.db2.gz TYAIYPKFTSUODO-UHFFFAOYSA-N -2 3 333.558 4.189 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C(=O)[O-])c(C)cc2C)CC)n1 ZINC000530529131 1030512070 /nfs/dbraw/zinc/51/20/70/1030512070.db2.gz NZZRQBVHPJOTOD-NTEUORMPSA-N -2 3 340.423 4.400 20 0 EIADHL O=C([O-])C/C(=C/c1cc([O-])cc(F)c1)c1nc2ccccc2s1 ZINC000184749333 1043127906 /nfs/dbraw/zinc/12/79/06/1043127906.db2.gz XJAAGMRUFYWKJW-WZUFQYTHSA-N -2 3 329.352 4.156 20 0 EIADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2sccc2c([O-])c1 ZINC000805259519 1046873445 /nfs/dbraw/zinc/87/34/45/1046873445.db2.gz SRYUDLFOGSPNKN-UHFFFAOYSA-N -2 3 337.759 4.357 20 0 EIADHL O=S(=O)([N-]c1ccc([S-])cc1)c1ccc(F)c2ccccc21 ZINC001189385914 1050975851 /nfs/dbraw/zinc/97/58/51/1050975851.db2.gz QOTFJAUPMANENZ-UHFFFAOYSA-N -2 3 333.409 4.068 20 0 EIADHL O=S(=O)([N-]c1ccccc1[S-])c1ccc(F)c2ccccc21 ZINC001189388022 1050978066 /nfs/dbraw/zinc/97/80/66/1050978066.db2.gz FPKIVNAZFAAIKO-UHFFFAOYSA-N -2 3 333.409 4.068 20 0 EIADHL [O-]c1ccc(F)c(Nc2ccc(Br)cc2[S-])c1F ZINC001175269559 1051506864 /nfs/dbraw/zinc/50/68/64/1051506864.db2.gz HLSGNDJXPQRQQV-UHFFFAOYSA-N -2 3 332.169 4.465 20 0 EIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([S-])cc2)c2ccccc12 ZINC001193858317 1052016417 /nfs/dbraw/zinc/01/64/17/1052016417.db2.gz WLXUZDNNJRAIGW-UHFFFAOYSA-N -2 3 329.446 4.238 20 0 EIADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1csc2ccccc21 ZINC001186497667 1050337909 /nfs/dbraw/zinc/33/79/09/1050337909.db2.gz CQDTUOZKCXQGJU-UHFFFAOYSA-N -2 3 339.825 4.061 20 0 EIADHL O=S(=O)([O-])c1ccc2ccc(Nc3ccc(Cl)c([O-])c3)cc2c1 ZINC001212593115 1060886306 /nfs/dbraw/zinc/88/63/06/1060886306.db2.gz DETSQQXDBRJHSQ-UHFFFAOYSA-N -2 3 349.795 4.189 20 0 EIADHL O=C([O-])c1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000797400363 978833143 /nfs/dbraw/zinc/83/31/43/978833143.db2.gz YMAANPJGKRVQBI-UHFFFAOYSA-N -2 3 335.146 4.007 20 0 EIADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(-c2cccs2)cc1 ZINC001194163479 1052091911 /nfs/dbraw/zinc/09/19/11/1052091911.db2.gz RYHUAXBLXVGEHL-UHFFFAOYSA-N -2 3 349.408 4.061 20 0 EIADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000436651787 1045683218 /nfs/dbraw/zinc/68/32/18/1045683218.db2.gz IFYGFEDSHDNANF-UHFFFAOYSA-N -2 3 335.359 4.096 20 0 EIADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001195156464 1053309943 /nfs/dbraw/zinc/30/99/43/1053309943.db2.gz NKPDEXYJIPIQTJ-UHFFFAOYSA-N -2 3 343.807 4.109 20 0 EIADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2sccc2c([O-])c1 ZINC000774066433 1051439543 /nfs/dbraw/zinc/43/95/43/1051439543.db2.gz JDDIQDIQMYBHKY-UHFFFAOYSA-N -2 3 342.401 4.289 20 0 EIADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([O-])c2ccccc2c1 ZINC000527168508 1043252955 /nfs/dbraw/zinc/25/29/55/1043252955.db2.gz MMQOAWOMXIWIHV-UHFFFAOYSA-N -2 3 331.730 4.296 20 0 EIADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc([O-])c2ccccc2c1 ZINC000792231588 1045880972 /nfs/dbraw/zinc/88/09/72/1045880972.db2.gz RRIUDDJYUIBXSO-UHFFFAOYSA-N -2 3 336.372 4.228 20 0 EIADHL CC(=O)c1cccc([O-])c1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148870031 1049390666 /nfs/dbraw/zinc/39/06/66/1049390666.db2.gz OUVOKUPTPMWDDG-UHFFFAOYSA-N -2 3 347.370 4.220 20 0 EIADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Br)cc1Cl ZINC001175320164 1051530680 /nfs/dbraw/zinc/53/06/80/1051530680.db2.gz DAJVERWXOIGBQY-UHFFFAOYSA-N -2 3 342.576 4.250 20 0 EIADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([O-])cc(C(F)(F)F)c1 ZINC000622518897 1052313327 /nfs/dbraw/zinc/31/33/27/1052313327.db2.gz LPVYGXBAIVFFKA-UHFFFAOYSA-N -2 3 349.667 4.161 20 0 EIADHL O=C(Nc1c([O-])cccc1Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC000516999014 1042913778 /nfs/dbraw/zinc/91/37/78/1042913778.db2.gz GXQJCAHKFVFEOE-UHFFFAOYSA-N -2 3 331.677 4.022 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)[O-])cc2Cl)CC)n1 ZINC000435339621 1040293731 /nfs/dbraw/zinc/29/37/31/1040293731.db2.gz WJZHTQXUVORKKG-FLIBITNWSA-N -2 3 346.814 4.437 20 0 EIADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(C(=O)[O-])cc2F)CC)n1 ZINC000865223235 1053445850 /nfs/dbraw/zinc/44/58/50/1053445850.db2.gz FWXTYQABIRLJRI-POHAHGRESA-N -2 3 348.349 4.062 20 0 EIADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000014097311 1053633162 /nfs/dbraw/zinc/63/31/62/1053633162.db2.gz LSYPFEXVPNTHBE-LBPRGKRZSA-N -2 3 347.436 4.008 20 0 EIADHL