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(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001647270679 1089188432 /nfs/dbraw/zinc/18/84/32/1089188432.db2.gz WTQZNMMRZGCHPG-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001647791841 1089880505 /nfs/dbraw/zinc/88/05/05/1089880505.db2.gz WLTUPXNIADIXEF-UHFFFAOYSA-N -1 1 341.392 2.568 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1Cn1cncn1 ZINC001647827039 1089888144 /nfs/dbraw/zinc/88/81/44/1089888144.db2.gz UIGRJTGZPUBQOC-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001648014519 1089929639 /nfs/dbraw/zinc/92/96/39/1089929639.db2.gz PPIDAPSJPZYINV-WAPJZHGLSA-N -1 1 337.335 2.641 10 10 EFCEMM O=C(NCCc1ccc(OC(F)F)cc1)c1c(F)ccc(O)c1[O-] ZINC001648383748 1092210830 /nfs/dbraw/zinc/21/08/30/1092210830.db2.gz XACIFXLPHLRGAC-UHFFFAOYSA-N -1 1 341.285 2.811 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-c2cn[nH]c2)cn1 ZINC001648608419 1092237610 /nfs/dbraw/zinc/23/76/10/1092237610.db2.gz FWBHZWLHXPJYFS-UHFFFAOYSA-N -1 1 328.759 2.761 10 10 EFCEMM CN1CCOc2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001648608832 1092238737 /nfs/dbraw/zinc/23/87/37/1092238737.db2.gz NFMPMDCBCPAMKC-UHFFFAOYSA-N -1 1 332.787 2.804 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001606868829 1097464573 /nfs/dbraw/zinc/46/45/73/1097464573.db2.gz RAKKUIUCOUICGY-SGTLLEGYSA-N -1 1 342.782 2.572 10 10 EFCEMM CCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC001609960911 1098506962 /nfs/dbraw/zinc/50/69/62/1098506962.db2.gz GEJPGFXKAJCCBX-UHFFFAOYSA-N -1 1 335.331 2.574 10 10 EFCEMM Cn1cc(CCNC(=O)c2c([O-])c(O)ccc2F)c2ccccc21 ZINC001611596214 1099024287 /nfs/dbraw/zinc/02/42/87/1099024287.db2.gz GRWAAFOWKQOTKO-UHFFFAOYSA-N -1 1 328.343 2.701 10 10 EFCEMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])c1cnccn1 ZINC001626821576 1099922816 /nfs/dbraw/zinc/92/28/16/1099922816.db2.gz BQKXBDMYNXDRLP-JXMROGBWSA-N -1 1 348.200 2.664 10 10 EFCEMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cncc([O-])c1 ZINC001629107412 1100170074 /nfs/dbraw/zinc/17/00/74/1100170074.db2.gz IFHKRJOKLRIHQU-UHFFFAOYSA-N -1 1 331.335 2.749 10 10 EFCEMM O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC001637125859 1100758505 /nfs/dbraw/zinc/75/85/05/1100758505.db2.gz FHFPYMWKTPVZGI-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)no1 ZINC001640083788 1101012530 /nfs/dbraw/zinc/01/25/30/1101012530.db2.gz HBKRWXQJQHNUEI-UHFFFAOYSA-N -1 1 331.553 2.726 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1c(F)ccnc1F ZINC001640083981 1101013100 /nfs/dbraw/zinc/01/31/00/1101013100.db2.gz KYJROQCXMGNUBU-UHFFFAOYSA-N -1 1 343.127 2.758 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(Cn2ccnn2)c1 ZINC001640405342 1101043125 /nfs/dbraw/zinc/04/31/25/1101043125.db2.gz RNWUSIGYODLNCF-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM COC(=O)c1coc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640405360 1101043681 /nfs/dbraw/zinc/04/36/81/1101043681.db2.gz RZSGGQCIHSJJIP-WAYWQWQTSA-N -1 1 335.743 2.755 10 10 EFCEMM CN1C(=O)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001640401884 1101043857 /nfs/dbraw/zinc/04/38/57/1101043857.db2.gz FXISRMIGYZLAIH-CYBMUJFWSA-N -1 1 344.798 2.812 10 10 EFCEMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2c[n-][nH]c2=O)CCCC1 ZINC001641600521 1101149381 /nfs/dbraw/zinc/14/93/81/1101149381.db2.gz CLDZNJXUTGJMIR-UHFFFAOYSA-N -1 1 340.383 2.596 10 10 EFCEMM CCCOc1nc(C)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784943518 1101440245 /nfs/dbraw/zinc/44/02/45/1101440245.db2.gz ONDGZBNIPALQRW-UHFFFAOYSA-N -1 1 345.351 2.630 10 10 EFCEMM CC(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC001652386864 1101486542 /nfs/dbraw/zinc/48/65/42/1101486542.db2.gz OBSCQSYZWAIENN-UHFFFAOYSA-N -1 1 349.412 2.534 10 10 EFCEMM O=C(Cn1cc(-c2ccccc2)nn1)NCc1cccc(Cl)c1[O-] ZINC001653566946 1101633248 /nfs/dbraw/zinc/63/32/48/1101633248.db2.gz GYOYSZTVPBFJME-UHFFFAOYSA-N -1 1 342.786 2.621 10 10 EFCEMM COc1ccc(O)c(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000785416404 1107641960 /nfs/dbraw/zinc/64/19/60/1107641960.db2.gz RLDNUMUIRKOYKG-UHFFFAOYSA-N -1 1 337.759 2.698 10 10 EFCEMM COc1ccc2[nH]c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c1 ZINC000784882554 1119360964 /nfs/dbraw/zinc/36/09/64/1119360964.db2.gz ZSNHKRSFEQRTCZ-UHFFFAOYSA-N -1 1 341.319 2.627 10 10 EFCEMM CC(C)c1n[nH]cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000278707987 535328566 /nfs/dbraw/zinc/32/85/66/535328566.db2.gz LKUYLADGBCJXNL-UHFFFAOYSA-N -1 1 338.205 2.931 10 10 EFCEMM CC(C)c1ccc(-c2nnn(CC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC000031713324 202208300 /nfs/dbraw/zinc/20/83/00/202208300.db2.gz FFFIBCWNSCBPAC-UHFFFAOYSA-N -1 1 338.367 2.758 10 10 EFCEMM NC(=O)[C@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc21 ZINC000035421635 202301990 /nfs/dbraw/zinc/30/19/90/202301990.db2.gz OQFDWBRCNROOGY-LJQANCHMSA-N -1 1 332.403 2.958 10 10 EFCEMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263569448 240384482 /nfs/dbraw/zinc/38/44/82/240384482.db2.gz HNITYWHRPMQJDS-MRXNPFEDSA-N -1 1 340.423 2.992 10 10 EFCEMM COCc1cc(C)nc2sc(C(=O)c3ccc([O-])c(O)c3)c(N)c21 ZINC000000189018 471332930 /nfs/dbraw/zinc/33/29/30/471332930.db2.gz SIFKSEAUSNPCNL-UHFFFAOYSA-N -1 1 344.392 2.976 10 10 EFCEMM CC[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123552068 473156249 /nfs/dbraw/zinc/15/62/49/473156249.db2.gz IFNCNQZVHZKAHZ-ZDUSSCGKSA-N -1 1 333.259 2.588 10 10 EFCEMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc12 ZINC000093909446 473162177 /nfs/dbraw/zinc/16/21/77/473162177.db2.gz KQPTZZOALXMCAH-UHFFFAOYSA-N -1 1 345.409 2.677 10 10 EFCEMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccccc2)O1 ZINC000276571142 474566821 /nfs/dbraw/zinc/56/68/21/474566821.db2.gz KKNYCQKUTZTKDQ-IAQYHMDHSA-N -1 1 331.343 2.839 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000267409265 474668627 /nfs/dbraw/zinc/66/86/27/474668627.db2.gz RHXAKVOOIWJKGN-UHFFFAOYSA-N -1 1 338.835 2.548 10 10 EFCEMM COc1ccc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294782975 475083816 /nfs/dbraw/zinc/08/38/16/475083816.db2.gz CULRAAUQGYGFIA-JTQLQIEISA-N -1 1 349.358 2.615 10 10 EFCEMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000294941492 475093017 /nfs/dbraw/zinc/09/30/17/475093017.db2.gz LLJUJNHWDZRGCT-BMIGLBTASA-N -1 1 349.333 2.978 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000763646702 576383862 /nfs/dbraw/zinc/38/38/62/576383862.db2.gz AFDSTXWCDCSBAC-WLRWDXFRSA-N -1 1 346.290 2.664 10 10 EFCEMM COc1ccc(N2CCC(NC(=O)c3ncc(C)cc3[O-])CC2)cc1 ZINC000763249666 576369473 /nfs/dbraw/zinc/36/94/73/576369473.db2.gz FPXOATUVSNTMOO-UHFFFAOYSA-N -1 1 341.411 2.503 10 10 EFCEMM COc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000767245075 577201562 /nfs/dbraw/zinc/20/15/62/577201562.db2.gz AIQKPQSBYWHRQN-UHFFFAOYSA-N -1 1 330.359 2.502 10 10 EFCEMM O=C([O-])C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000851654201 1251176293 /nfs/dbraw/zinc/17/62/93/1251176293.db2.gz TUEKQQJODZHYGF-UHFFFAOYSA-N -1 1 347.198 2.753 10 10 EFCEMM C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC000843040478 1258087958 /nfs/dbraw/zinc/08/79/58/1258087958.db2.gz ICJTVHOUDHSHQP-MWLCHTKSSA-N -1 1 328.206 2.697 10 10 EFCEMM C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC000843040477 1258088073 /nfs/dbraw/zinc/08/80/73/1258088073.db2.gz ICJTVHOUDHSHQP-KOLCDFICSA-N -1 1 328.206 2.697 10 10 EFCEMM Cc1nc(S(=O)(=O)[N-]CCCSc2nccs2)sc1C ZINC000746406466 1272187551 /nfs/dbraw/zinc/18/75/51/1272187551.db2.gz ZWWUHYWECPJWSK-UHFFFAOYSA-N -1 1 349.528 2.677 10 10 EFCEMM CCCO[N-]C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000844087311 1278742543 /nfs/dbraw/zinc/74/25/43/1278742543.db2.gz LYADWKBIKLUPGI-UHFFFAOYSA-N -1 1 329.444 2.866 10 10 EFCEMM CC(C)C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000818630674 1276541111 /nfs/dbraw/zinc/54/11/11/1276541111.db2.gz ZTHNXNJAIAUWFQ-NSHDSACASA-N -1 1 330.222 2.991 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631636 1276541134 /nfs/dbraw/zinc/54/11/34/1276541134.db2.gz LTWINCHSTALUFI-SKDRFNHKSA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631674 1276542058 /nfs/dbraw/zinc/54/20/58/1276542058.db2.gz MPEVWRJUQVYKSP-NOZJJQNGSA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631674 1276542062 /nfs/dbraw/zinc/54/20/62/1276542062.db2.gz MPEVWRJUQVYKSP-NOZJJQNGSA-N -1 1 328.206 2.840 10 10 EFCEMM COc1ccccc1-c1ncc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000792857817 1279197437 /nfs/dbraw/zinc/19/74/37/1279197437.db2.gz GBMVXVQSTOPXSD-SDQBBNPISA-N -1 1 329.406 2.641 10 10 EFCEMM CC1CCN(c2ccc(CNC(=O)c3ncccc3[O-])cc2)CC1 ZINC001144773387 1280108772 /nfs/dbraw/zinc/10/87/72/1280108772.db2.gz NHMXBJQKAZBAJO-UHFFFAOYSA-N -1 1 325.412 2.954 10 10 EFCEMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000884982874 1294297137 /nfs/dbraw/zinc/29/71/37/1294297137.db2.gz LEHJFPOEXOKRBG-UHFFFAOYSA-N -1 1 337.470 2.612 10 10 EFCEMM [O-]c1c(Br)cccc1CNc1ncc2c(n1)CCOC2 ZINC000865295040 1303210471 /nfs/dbraw/zinc/21/04/71/1303210471.db2.gz WZDLQYYNKIQTFS-UHFFFAOYSA-N -1 1 336.189 2.630 10 10 EFCEMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000867830528 1303975841 /nfs/dbraw/zinc/97/58/41/1303975841.db2.gz BHVYIKVJGOKXRA-FXPVBKGRSA-N -1 1 328.206 2.584 10 10 EFCEMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000868899605 1304524609 /nfs/dbraw/zinc/52/46/09/1304524609.db2.gz LKOFYNFDRIRDDR-LNLATYFQSA-N -1 1 343.221 2.520 10 10 EFCEMM O=C(COc1ccsc1)NCc1cccc(Br)c1[O-] ZINC000800554838 1308116290 /nfs/dbraw/zinc/11/62/90/1308116290.db2.gz FMALUCRUZMEPIC-UHFFFAOYSA-N -1 1 342.214 2.911 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc(C(F)(F)F)ncn1 ZINC001159041245 1311439793 /nfs/dbraw/zinc/43/97/93/1311439793.db2.gz FVZUWQLYFMWQHO-UHFFFAOYSA-N -1 1 331.681 2.784 10 10 EFCEMM CCCN(Cc1ccccc1O)C(=O)c1cnc(SC)[n-]c1=O ZINC001294681314 1322542524 /nfs/dbraw/zinc/54/25/24/1322542524.db2.gz DDIFHUSIAVEUBD-UHFFFAOYSA-N -1 1 333.413 2.662 10 10 EFCEMM COc1ccc(Cl)cc1CNC(=O)c1c([O-])c(O)ccc1F ZINC001306462257 1324709604 /nfs/dbraw/zinc/70/96/04/1324709604.db2.gz RMAUEAVJSGTKEV-UHFFFAOYSA-N -1 1 325.723 2.829 10 10 EFCEMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001323417517 1329541891 /nfs/dbraw/zinc/54/18/91/1329541891.db2.gz HFALJGVMORYFBA-UHFFFAOYSA-N -1 1 333.691 2.740 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2cccnc2C1 ZINC001346912690 1332702795 /nfs/dbraw/zinc/70/27/95/1332702795.db2.gz HOCUWMDCCHTEDK-GFCCVEGCSA-N -1 1 347.212 2.581 10 10 EFCEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001440663493 1389806719 /nfs/dbraw/zinc/80/67/19/1389806719.db2.gz PXLFKSLOJWJIAW-UHFFFAOYSA-N -1 1 326.396 2.851 10 10 EFCEMM O=C(NCc1c(F)cccc1OC(F)F)c1c(F)ccc(O)c1[O-] ZINC001457783269 1395327978 /nfs/dbraw/zinc/32/79/78/1395327978.db2.gz SWMTZTUIZIKKJP-UHFFFAOYSA-N -1 1 345.248 2.907 10 10 EFCEMM Cn1c(=O)c([N+](=O)[O-])c(NCc2c([O-])cccc2F)c2ccccc21 ZINC001458615445 1395522688 /nfs/dbraw/zinc/52/26/88/1395522688.db2.gz DLFKBEQSNSPTSY-UHFFFAOYSA-N -1 1 343.314 2.904 10 10 EFCEMM COc1ccc(C(=O)[N-]C(=O)CSc2ncc(Cl)s2)cc1 ZINC001473066014 1397280303 /nfs/dbraw/zinc/28/03/03/1397280303.db2.gz HONWYZGFFBAGFU-UHFFFAOYSA-N -1 1 342.829 2.854 10 10 EFCEMM Cc1cc(-n2cncn2)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001558756759 1415199476 /nfs/dbraw/zinc/19/94/76/1415199476.db2.gz AFYAOEQMVFXSPR-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM COC(=O)c1ccc(/C=C\C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001558757986 1415199526 /nfs/dbraw/zinc/19/95/26/1415199526.db2.gz ZGPITYLNDLBASL-VURMDHGXSA-N -1 1 335.743 2.755 10 10 EFCEMM COC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)O1 ZINC000784669278 719391239 /nfs/dbraw/zinc/39/12/39/719391239.db2.gz ZGMPFHHJLUBJFQ-YPMHNXCESA-N -1 1 344.249 2.699 10 10 EFCEMM Cc1cc(C(F)F)n(CC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001648608564 1092239351 /nfs/dbraw/zinc/23/93/51/1092239351.db2.gz IQVIBGMLGHHLGI-UHFFFAOYSA-N -1 1 329.734 2.805 10 10 EFCEMM O=C(NCc1ccncc1C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC001650982569 1093516330 /nfs/dbraw/zinc/51/63/30/1093516330.db2.gz IMANIZGNEJHMBR-UHFFFAOYSA-N -1 1 330.237 2.581 10 10 EFCEMM O=C(NCCOc1ccc(F)c(Cl)c1)c1c(F)ccc(O)c1[O-] ZINC001651029339 1093519980 /nfs/dbraw/zinc/51/99/80/1093519980.db2.gz PCEXXEFSNKMAGY-UHFFFAOYSA-N -1 1 343.713 2.838 10 10 EFCEMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1F ZINC000783356020 1096932985 /nfs/dbraw/zinc/93/29/85/1096932985.db2.gz BWIYMINMIOQOCU-UHFFFAOYSA-N -1 1 332.327 2.941 10 10 EFCEMM Cc1cc2nc(C)cc(C(=O)NCc3cccc(Cl)c3[O-])n2n1 ZINC001606860100 1097463582 /nfs/dbraw/zinc/46/35/82/1097463582.db2.gz FRFPWZUFGUWYKO-UHFFFAOYSA-N -1 1 330.775 2.635 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001606868827 1097464225 /nfs/dbraw/zinc/46/42/25/1097464225.db2.gz RAKKUIUCOUICGY-KPZWWZAWSA-N -1 1 342.782 2.572 10 10 EFCEMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611090732 1098978991 /nfs/dbraw/zinc/97/89/91/1098978991.db2.gz WIRFJJXXLKPNOZ-FVMDXXJSSA-N -1 1 337.322 2.882 10 10 EFCEMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])c1cnccn1 ZINC001626821581 1099922502 /nfs/dbraw/zinc/92/25/02/1099922502.db2.gz BQKXBDMYNXDRLP-YFHOEESVSA-N -1 1 348.200 2.664 10 10 EFCEMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000040803663 1099961132 /nfs/dbraw/zinc/96/11/32/1099961132.db2.gz XFJHERXDZQOKPM-UHFFFAOYSA-N -1 1 345.877 2.649 10 10 EFCEMM COc1ccc(CNC(=O)c2c([O-])cnc3c(F)cccc32)c(O)c1 ZINC001633927043 1100574326 /nfs/dbraw/zinc/57/43/26/1100574326.db2.gz PUHWYPWSBFHJJZ-UHFFFAOYSA-N -1 1 342.326 2.724 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC001640083778 1101012236 /nfs/dbraw/zinc/01/22/36/1101012236.db2.gz GVESVJPCXYOKRO-JTQLQIEISA-N -1 1 335.201 2.970 10 10 EFCEMM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1c(F)ccc(O)c1[O-] ZINC001641795619 1101166190 /nfs/dbraw/zinc/16/61/90/1101166190.db2.gz OACWBHCDKBYLJS-ZDBHGNHJSA-N -1 1 333.746 2.958 10 10 EFCEMM C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001653563650 1101632232 /nfs/dbraw/zinc/63/22/32/1101632232.db2.gz HTCWXVKVGWMEQX-SECBINFHSA-N -1 1 338.816 2.542 10 10 EFCEMM CCCc1n[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001653567412 1101632813 /nfs/dbraw/zinc/63/28/13/1101632813.db2.gz YLMWZOYNBNZRFL-UHFFFAOYSA-N -1 1 338.751 2.559 10 10 EFCEMM C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001653567250 1101632855 /nfs/dbraw/zinc/63/28/55/1101632855.db2.gz QWSWHDYXJKPRQJ-LLVKDONJSA-N -1 1 335.787 2.622 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)nn1 ZINC001654543538 1101729776 /nfs/dbraw/zinc/72/97/76/1101729776.db2.gz SOLLCJZGDWDERX-UHFFFAOYSA-N -1 1 342.580 2.528 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CCn2c(cc3ccccc32)C1 ZINC001654609708 1101739594 /nfs/dbraw/zinc/73/95/94/1101739594.db2.gz DABBBURNSOZFKJ-UHFFFAOYSA-N -1 1 326.327 2.848 10 10 EFCEMM Cc1nc(NCc2cccc(Br)c2[O-])ncc1[N+](=O)[O-] ZINC001655448065 1101826417 /nfs/dbraw/zinc/82/64/17/1101826417.db2.gz QXIOHQVFEBLEBP-UHFFFAOYSA-N -1 1 339.149 2.773 10 10 EFCEMM Cn1ncc2ccc(CNC(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001673045548 1105965079 /nfs/dbraw/zinc/96/50/79/1105965079.db2.gz FGNBCGFLYSJCAY-UHFFFAOYSA-N -1 1 344.802 2.932 10 10 EFCEMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263569447 240384658 /nfs/dbraw/zinc/38/46/58/240384658.db2.gz HNITYWHRPMQJDS-INIZCTEOSA-N -1 1 340.423 2.992 10 10 EFCEMM Cc1ccc(SCC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000021024509 212200437 /nfs/dbraw/zinc/20/04/37/212200437.db2.gz DRKKFGCLDHZKQA-UHFFFAOYSA-N -1 1 339.420 2.954 10 10 EFCEMM CC1=CC2=NC(=O)/C(=C\c3ccc([O-])c(Br)c3)C(=N)N2O1 ZINC000020236393 471987656 /nfs/dbraw/zinc/98/76/56/471987656.db2.gz CQDCLSNCSIOPET-BKCLFSJNSA-N -1 1 348.156 2.605 10 10 EFCEMM CC[C@@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123552277 473155817 /nfs/dbraw/zinc/15/58/17/473155817.db2.gz IFNCNQZVHZKAHZ-CYBMUJFWSA-N -1 1 333.259 2.588 10 10 EFCEMM Cc1nc([C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)n[nH]1 ZINC000180111944 473802134 /nfs/dbraw/zinc/80/21/34/473802134.db2.gz LAHLITMVVJLERI-LBPRGKRZSA-N -1 1 343.214 2.699 10 10 EFCEMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000278745275 474810386 /nfs/dbraw/zinc/81/03/86/474810386.db2.gz QSMNXQUHMVTKFM-UHFFFAOYSA-N -1 1 336.413 2.658 10 10 EFCEMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc2nsnc21 ZINC000644851336 480608619 /nfs/dbraw/zinc/60/86/19/480608619.db2.gz BRIAPUQHLAQJOT-UHFFFAOYSA-N -1 1 345.327 2.909 10 10 EFCEMM COc1cc(-c2cc([O-])c3c(=O)c(O)c(OC)cc-3o2)ccc1O ZINC000014644839 560223647 /nfs/dbraw/zinc/22/36/47/560223647.db2.gz LRUIASUJJNMESX-UHFFFAOYSA-N -1 1 330.292 2.594 10 10 biogenic,in-vitro EFCEMM COc1cc(-c2cc(=O)c3c([O-])c(O)c(OC)cc3o2)ccc1O ZINC000014644839 560223649 /nfs/dbraw/zinc/22/36/49/560223649.db2.gz LRUIASUJJNMESX-UHFFFAOYSA-N -1 1 330.292 2.594 10 10 biogenic,in-vitro EFCEMM COC(=O)c1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000758470533 575870544 /nfs/dbraw/zinc/87/05/44/575870544.db2.gz KHPUCANREYRGQA-UHFFFAOYSA-N -1 1 337.173 2.948 10 10 EFCEMM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000769468256 577364821 /nfs/dbraw/zinc/36/48/21/577364821.db2.gz FUOROXADYDOWCL-VIFPVBQESA-N -1 1 338.256 2.566 10 10 EFCEMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000773086058 581395544 /nfs/dbraw/zinc/39/55/44/581395544.db2.gz CIUMBZIJANZREV-LLVKDONJSA-N -1 1 339.486 2.865 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000842938442 1257066172 /nfs/dbraw/zinc/06/61/72/1257066172.db2.gz WPURXBLIAZOTMU-YMTOWFKASA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000842938442 1257066179 /nfs/dbraw/zinc/06/61/79/1257066179.db2.gz WPURXBLIAZOTMU-YMTOWFKASA-N -1 1 325.792 2.791 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787405776 1275777640 /nfs/dbraw/zinc/77/76/40/1275777640.db2.gz IDAMLMGWIFKACZ-PEGIJTEDSA-N -1 1 325.206 2.752 10 10 EFCEMM Cc1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c([O-])c1 ZINC001136025452 1276343845 /nfs/dbraw/zinc/34/38/45/1276343845.db2.gz KXUVVRXQANUZNX-UHFFFAOYSA-N -1 1 325.412 2.968 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C(=O)[O-] ZINC000818631635 1276541949 /nfs/dbraw/zinc/54/19/49/1276541949.db2.gz LTWINCHSTALUFI-JOYOIKCWSA-N -1 1 328.206 2.840 10 10 EFCEMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(CC2CC2)c1 ZINC000808114334 1281540945 /nfs/dbraw/zinc/54/09/45/1281540945.db2.gz VVTOJQHOFRHBMB-UHFFFAOYSA-N -1 1 345.783 2.592 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC001180409541 1289527281 /nfs/dbraw/zinc/52/72/81/1289527281.db2.gz APBZPNOGFGDGIZ-UHFFFAOYSA-N -1 1 344.798 2.868 10 10 EFCEMM COc1c([O-])c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955523 1316256425 /nfs/dbraw/zinc/25/64/25/1316256425.db2.gz JBYCFXVIHORKSO-PSLIRLAXSA-N -1 1 346.330 2.554 10 10 EFCEMM CCOc1ccc(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC001295275381 1322669740 /nfs/dbraw/zinc/66/97/40/1322669740.db2.gz QRHSBPVAAZFXPV-UHFFFAOYSA-N -1 1 344.386 2.892 10 10 EFCEMM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305069288 1324671444 /nfs/dbraw/zinc/67/14/44/1324671444.db2.gz BMALPFYTZQEFJY-HWPZZCPQSA-N -1 1 333.771 2.890 10 10 EFCEMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(-n2ccnc2)cc1 ZINC001306755028 1324719530 /nfs/dbraw/zinc/71/95/30/1324719530.db2.gz QONPNMUKGYQJBA-NSHDSACASA-N -1 1 341.342 2.914 10 10 EFCEMM O=C(NCc1ccsc1Br)c1c(F)ccc(O)c1[O-] ZINC001306830962 1324723849 /nfs/dbraw/zinc/72/38/49/1324723849.db2.gz NSTIUOVAFZYBFE-UHFFFAOYSA-N -1 1 346.177 2.991 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccno3)CC2)c1[O-] ZINC001308034819 1324789865 /nfs/dbraw/zinc/78/98/65/1324789865.db2.gz MWFVUEYIRWCGNG-UHFFFAOYSA-N -1 1 349.818 2.554 10 10 EFCEMM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001324471290 1329631086 /nfs/dbraw/zinc/63/10/86/1329631086.db2.gz KNHAISQCSBNFBQ-KBXCAEBGSA-N -1 1 331.343 2.706 10 10 EFCEMM O=C(COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([O-])c(O)c1 ZINC001327240787 1330445693 /nfs/dbraw/zinc/44/56/93/1330445693.db2.gz RGXRAIGRJBXVNB-OUAUKWLOSA-N -1 1 326.295 2.505 10 10 EFCEMM O=C([O-])[C@@H]1CC=C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001331994928 1330902147 /nfs/dbraw/zinc/90/21/47/1330902147.db2.gz KJSAPQOQECIWID-NXEZZACHSA-N -1 1 326.190 2.664 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(OC(F)F)nc1 ZINC001457033567 1394933047 /nfs/dbraw/zinc/93/30/47/1394933047.db2.gz DFBFCUOGBLIFOC-UHFFFAOYSA-N -1 1 328.702 2.972 10 10 EFCEMM Cc1cn2cc(CC(=O)NCc3cccc(Cl)c3[O-])nc2s1 ZINC001457037690 1394934518 /nfs/dbraw/zinc/93/45/18/1394934518.db2.gz RRTXKMQVUNDIRH-UHFFFAOYSA-N -1 1 335.816 2.922 10 10 EFCEMM COc1cccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1O ZINC001465993628 1396730202 /nfs/dbraw/zinc/73/02/02/1396730202.db2.gz UVPQVLBLQNIVRK-UHFFFAOYSA-N -1 1 339.347 2.895 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cccn2nccc12 ZINC001467763297 1396893537 /nfs/dbraw/zinc/89/35/37/1396893537.db2.gz HTRYIMVURPCVCM-UHFFFAOYSA-N -1 1 346.184 2.732 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cc2cccn2cn1 ZINC001467763319 1396893778 /nfs/dbraw/zinc/89/37/78/1396893778.db2.gz IHDVVGCXJCYFNT-UHFFFAOYSA-N -1 1 346.184 2.732 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(-c2nc[nH]n2)c1 ZINC001558757135 1415199436 /nfs/dbraw/zinc/19/94/36/1415199436.db2.gz QJDLWAQEXHTHRR-UHFFFAOYSA-N -1 1 328.759 2.761 10 10 EFCEMM CC1(C)CCC[C@](O)(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC001559024001 1415219158 /nfs/dbraw/zinc/21/91/58/1415219158.db2.gz QWTJKJLZNHAJNP-QGZVFWFLSA-N -1 1 325.380 2.688 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1[O-] ZINC000124398783 715348106 /nfs/dbraw/zinc/34/81/06/715348106.db2.gz XAUDMTFJUULJPJ-UHFFFAOYSA-N -1 1 347.864 2.503 10 10 EFCEMM O=C(CSc1ccc(C(F)(F)F)nn1)c1ccc([O-])c(O)c1 ZINC000186845368 720483546 /nfs/dbraw/zinc/48/35/46/720483546.db2.gz FVZADCQPCQWGHV-UHFFFAOYSA-N -1 1 330.287 2.882 10 10 EFCEMM Cc1[nH]nc(Br)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001648609164 1092239439 /nfs/dbraw/zinc/23/94/39/1092239439.db2.gz SFTOEJZJFZEOBH-UHFFFAOYSA-N -1 1 344.596 2.770 10 10 EFCEMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001650913064 1093507591 /nfs/dbraw/zinc/50/75/91/1093507591.db2.gz YLONSYSKWIEEDK-JDNHERCYSA-N -1 1 337.322 2.882 10 10 EFCEMM O=C(NCc1c(O)cccc1F)c1ccc(Br)c([O-])c1 ZINC001651240188 1093543490 /nfs/dbraw/zinc/54/34/90/1093543490.db2.gz SOBIJPWJSJVFGD-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccc(N2CCOCC2)cc1 ZINC001597916044 1094639874 /nfs/dbraw/zinc/63/98/74/1094639874.db2.gz XVVWIOKSKBHKJY-CYBMUJFWSA-N -1 1 344.386 2.859 10 10 EFCEMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1noc(-c2ccccc2)n1 ZINC001611042871 1098973234 /nfs/dbraw/zinc/97/32/34/1098973234.db2.gz JIPGHWBDBZVWBH-VIFPVBQESA-N -1 1 343.314 2.778 10 10 EFCEMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611090735 1098979308 /nfs/dbraw/zinc/97/93/08/1098979308.db2.gz WIRFJJXXLKPNOZ-XXFAHNHDSA-N -1 1 337.322 2.882 10 10 EFCEMM O=C(C[C@H]1CCCC[C@@H]1O)NCc1cccc(Br)c1[O-] ZINC001623365123 1099580871 /nfs/dbraw/zinc/58/08/71/1099580871.db2.gz XLOOHGKCPKYASA-MFKMUULPSA-N -1 1 342.233 2.712 10 10 EFCEMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001626978591 1099943397 /nfs/dbraw/zinc/94/33/97/1099943397.db2.gz VTHZGRBHBRDRON-ZDUSSCGKSA-N -1 1 344.386 2.859 10 10 EFCEMM O=C(NCCc1ccc(O)c(O)c1)c1ccc2ccc(O)cc2c1[O-] ZINC001631517068 1100406539 /nfs/dbraw/zinc/40/65/39/1100406539.db2.gz VEJJBMMDAPHEDF-UHFFFAOYSA-N -1 1 339.347 2.635 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2ccnn2)cc1 ZINC001637226864 1100766358 /nfs/dbraw/zinc/76/63/58/1100766358.db2.gz CMFOIYWUOZUANT-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM CCOc1cc(C(=O)NCc2ccc(O)cc2O)cc(Cl)c1[O-] ZINC001638351900 1100851473 /nfs/dbraw/zinc/85/14/73/1100851473.db2.gz HPJHTSZAACYWJU-UHFFFAOYSA-N -1 1 337.759 2.786 10 10 EFCEMM Cn1c(C(=O)NCc2cccc(Cl)c2[O-])cc(=O)c2ccccc21 ZINC001640405257 1101043735 /nfs/dbraw/zinc/04/37/35/1101043735.db2.gz OGYLHKVVUYBYNZ-UHFFFAOYSA-N -1 1 342.782 2.828 10 10 EFCEMM O=C(c1c(F)ccc(O)c1[O-])N1CCc2c([nH]c3ccccc32)C1 ZINC001641436895 1101136721 /nfs/dbraw/zinc/13/67/21/1101136721.db2.gz IUTWTVFSULKBNF-UHFFFAOYSA-N -1 1 326.327 2.917 10 10 EFCEMM C[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])Cc2ccccc2C(=O)O1 ZINC001653563636 1101632842 /nfs/dbraw/zinc/63/28/42/1101632842.db2.gz GSORDOLXOKJQEK-SFHVURJKSA-N -1 1 345.782 2.834 10 10 EFCEMM Nc1c(C(=O)NCc2cccc(Cl)c2[O-])cc(F)cc1[N+](=O)[O-] ZINC001653563950 1101632877 /nfs/dbraw/zinc/63/28/77/1101632877.db2.gz UPAYRYWJUIWALU-UHFFFAOYSA-N -1 1 339.710 2.605 10 10 EFCEMM Cn1c(NCc2cc(Br)cc(F)c2[O-])nnc1C1CC1 ZINC000905416219 1103159286 /nfs/dbraw/zinc/15/92/86/1103159286.db2.gz CACCMXVXFUKARD-UHFFFAOYSA-N -1 1 341.184 2.912 10 10 EFCEMM COc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1Cl ZINC000021024286 212200373 /nfs/dbraw/zinc/20/03/73/212200373.db2.gz CANNQDLRARYMFJ-UHFFFAOYSA-N -1 1 343.770 2.829 10 10 EFCEMM Cc1ccc(O[C@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000021024953 212200299 /nfs/dbraw/zinc/20/02/99/212200299.db2.gz TZOJQHYUFIMNMC-CQSZACIVSA-N -1 1 337.379 2.629 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000177154923 473318498 /nfs/dbraw/zinc/31/84/98/473318498.db2.gz JIODUNIKXJMNKC-ZDUSSCGKSA-N -1 1 348.834 2.752 10 10 EFCEMM COc1c(C)cc2c(c1OC)C(=O)c1c(ccc([O-])c1OC)C2=O ZINC000014760870 471878769 /nfs/dbraw/zinc/87/87/69/471878769.db2.gz QFHZGHHRWYACFG-UHFFFAOYSA-N -1 1 328.320 2.502 10 10 EFCEMM CC(=O)Nc1cccc2c1CCN(Cc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000069869336 472454211 /nfs/dbraw/zinc/45/42/11/472454211.db2.gz NJUSVTICXBWYJW-UHFFFAOYSA-N -1 1 341.367 2.817 10 10 EFCEMM [O-]c1c(Cl)cccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189913241 474504785 /nfs/dbraw/zinc/50/47/85/474504785.db2.gz MNIVJFDFEFUICH-UHFFFAOYSA-N -1 1 332.835 2.968 10 10 EFCEMM CCOCc1nc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])no1 ZINC000290276344 474564333 /nfs/dbraw/zinc/56/43/33/474564333.db2.gz WRZPGELHXCWUGE-MNOVXSKESA-N -1 1 349.387 2.510 10 10 EFCEMM CC(C)(C)CCc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000285048999 474875171 /nfs/dbraw/zinc/87/51/71/474875171.db2.gz HKPHBOMDRJWDKW-UHFFFAOYSA-N -1 1 339.417 2.792 10 10 EFCEMM CCn1ncc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000527922314 478573059 /nfs/dbraw/zinc/57/30/59/478573059.db2.gz FLUWNBXETLVSKK-QMMMGPOBSA-N -1 1 343.200 2.756 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763488684 576379094 /nfs/dbraw/zinc/37/90/94/576379094.db2.gz CYURBNHKYKFROO-JEOXALJRSA-N -1 1 346.290 2.806 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763488687 576379101 /nfs/dbraw/zinc/37/91/01/576379101.db2.gz CYURBNHKYKFROO-NSPYISDASA-N -1 1 346.290 2.806 10 10 EFCEMM O=C(CCOCC1CC1)NCc1cccc(Br)c1[O-] ZINC000765746032 577072120 /nfs/dbraw/zinc/07/21/20/577072120.db2.gz BTVLLZBUQDDXTI-UHFFFAOYSA-N -1 1 328.206 2.588 10 10 EFCEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)c1 ZINC000743259502 1270492853 /nfs/dbraw/zinc/49/28/53/1270492853.db2.gz BDEIPDZPHRGWFR-UHFFFAOYSA-N -1 1 335.381 2.596 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC000792192799 1278635405 /nfs/dbraw/zinc/63/54/05/1278635405.db2.gz QNMRPGOAKOHJHW-GHMZBOCLSA-N -1 1 346.290 2.804 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2C[C@@H](O)CC(F)(F)C2)c1 ZINC000787437804 1275779184 /nfs/dbraw/zinc/77/91/84/1275779184.db2.gz DNWFGRIZQMSHMO-JTQLQIEISA-N -1 1 336.176 2.665 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCOCC1 ZINC000787582781 1275816354 /nfs/dbraw/zinc/81/63/54/1275816354.db2.gz WLUPCJDTLCXJEF-SNVBAGLBSA-N -1 1 328.206 2.588 10 10 EFCEMM C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631676 1276541594 /nfs/dbraw/zinc/54/15/94/1276541594.db2.gz MPEVWRJUQVYKSP-TVQRCGJNSA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631676 1276541599 /nfs/dbraw/zinc/54/15/99/1276541599.db2.gz MPEVWRJUQVYKSP-TVQRCGJNSA-N -1 1 328.206 2.840 10 10 EFCEMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000790415741 1277527630 /nfs/dbraw/zinc/52/76/30/1277527630.db2.gz KCVQUUFRYNGFAG-UHFFFAOYSA-N -1 1 349.408 2.850 10 10 EFCEMM O=C(Cc1ccc(Cl)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000790719548 1277741213 /nfs/dbraw/zinc/74/12/13/1277741213.db2.gz UYNUSAZNXWWUSZ-UHFFFAOYSA-N -1 1 338.718 2.859 10 10 EFCEMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccnc1C(F)(F)F ZINC000808105433 1281537727 /nfs/dbraw/zinc/53/77/27/1281537727.db2.gz FTHYKMZFMXZFNV-UHFFFAOYSA-N -1 1 336.266 2.746 10 10 EFCEMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000814552123 1286769417 /nfs/dbraw/zinc/76/94/17/1286769417.db2.gz BNBLACNYYQPKBW-UHFFFAOYSA-N -1 1 336.727 2.800 10 10 EFCEMM CO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000795673715 1291160489 /nfs/dbraw/zinc/16/04/89/1291160489.db2.gz FYPJPHLNAWEREJ-GASCZTMLSA-N -1 1 341.407 2.938 10 10 EFCEMM CO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000795673715 1291160491 /nfs/dbraw/zinc/16/04/91/1291160491.db2.gz FYPJPHLNAWEREJ-GASCZTMLSA-N -1 1 341.407 2.938 10 10 EFCEMM COCCc1ccnc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000931384975 1297333380 /nfs/dbraw/zinc/33/33/80/1297333380.db2.gz CBQAOSMHVPORRE-UHFFFAOYSA-N -1 1 335.791 2.951 10 10 EFCEMM C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864508980 1302954609 /nfs/dbraw/zinc/95/46/09/1302954609.db2.gz GQTHGMLPLMGOGU-OCCSQVGLSA-N -1 1 328.206 2.888 10 10 EFCEMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000868899607 1304525110 /nfs/dbraw/zinc/52/51/10/1304525110.db2.gz LKOFYNFDRIRDDR-VDDIYKPWSA-N -1 1 343.221 2.520 10 10 EFCEMM O=C(COC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccc([O-])c(O)c1 ZINC000869811590 1304981934 /nfs/dbraw/zinc/98/19/34/1304981934.db2.gz YAEQRBFCEKGNQD-INIZCTEOSA-N -1 1 334.368 2.563 10 10 EFCEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202823 1305888939 /nfs/dbraw/zinc/88/89/39/1305888939.db2.gz NCQLHLIUTLXCJV-UHFFFAOYSA-N -1 1 327.384 2.650 10 10 EFCEMM O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001457034915 1394933750 /nfs/dbraw/zinc/93/37/50/1394933750.db2.gz IUPQVLRDOXFIGK-UHFFFAOYSA-N -1 1 338.722 2.952 10 10 EFCEMM C[C@H](c1ccccc1F)[C@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038569 1394935790 /nfs/dbraw/zinc/93/57/90/1394935790.db2.gz XGVGRTRKTLHLNQ-BMIGLBTASA-N -1 1 337.778 2.966 10 10 EFCEMM O=C(NCc1ccc2nonc2c1)NCc1cccc(Cl)c1[O-] ZINC001685600426 1416769188 /nfs/dbraw/zinc/76/91/88/1416769188.db2.gz VCQRBOULSCLDAR-UHFFFAOYSA-N -1 1 332.747 2.581 10 10 EFCEMM CN(Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000093772621 716446309 /nfs/dbraw/zinc/44/63/09/716446309.db2.gz BXMVKCJVNWWNEQ-UHFFFAOYSA-N -1 1 340.272 2.954 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1[O-] ZINC000319857485 722654212 /nfs/dbraw/zinc/65/42/12/722654212.db2.gz GDMKUJSVXGMECI-ZDUSSCGKSA-N -1 1 337.725 2.747 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000907758693 727009469 /nfs/dbraw/zinc/00/94/69/727009469.db2.gz SGPIRXKHHGEBFG-JOYOIKCWSA-N -1 1 328.206 2.586 10 10 EFCEMM CN1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc2C1=O ZINC001647830296 1089890961 /nfs/dbraw/zinc/89/09/61/1089890961.db2.gz QQRCOOPJZHPLMP-CQSZACIVSA-N -1 1 344.798 2.531 10 10 EFCEMM COC(=O)c1cccc(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001647830277 1089892476 /nfs/dbraw/zinc/89/24/76/1089892476.db2.gz QFDFIDDHZLUKQZ-UHFFFAOYSA-N -1 1 333.771 2.691 10 10 EFCEMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001650913062 1093507285 /nfs/dbraw/zinc/50/72/85/1093507285.db2.gz YLONSYSKWIEEDK-ABKXIKBNSA-N -1 1 337.322 2.882 10 10 EFCEMM Cc1nc2nc(C)cc(NCc3cccc(Br)c3[O-])n2n1 ZINC001651034577 1093519623 /nfs/dbraw/zinc/51/96/23/1093519623.db2.gz KLTHQEVPBZEKJF-UHFFFAOYSA-N -1 1 348.204 2.821 10 10 EFCEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC001628667557 1100122606 /nfs/dbraw/zinc/12/26/06/1100122606.db2.gz XEYXWRZUJGFWJT-UHFFFAOYSA-N -1 1 339.804 2.502 10 10 EFCEMM O=C(Cc1n[nH]c(C2CC2)n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001629137125 1100170920 /nfs/dbraw/zinc/17/09/20/1100170920.db2.gz WPVFLYMCGFXPLD-UHFFFAOYSA-N -1 1 341.198 2.553 10 10 EFCEMM O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001630273691 1100290375 /nfs/dbraw/zinc/29/03/75/1100290375.db2.gz SWTIVUMYTVIBRR-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM Cc1ccn(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001638472774 1100861861 /nfs/dbraw/zinc/86/18/61/1100861861.db2.gz KIMXZHSHABXGBE-UHFFFAOYSA-N -1 1 341.342 2.661 10 10 EFCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(-c2ccoc2)n1 ZINC001640404770 1101043319 /nfs/dbraw/zinc/04/33/19/1101043319.db2.gz GBGWFVLUIMCLQA-UHFFFAOYSA-N -1 1 331.759 2.969 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccccc2)CC1 ZINC001641926206 1101176150 /nfs/dbraw/zinc/17/61/50/1101176150.db2.gz NNPMPFBTKNKNEW-HNNXBMFYSA-N -1 1 331.343 2.841 10 10 EFCEMM CC(=O)Nc1ccc(O)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001653566944 1101632050 /nfs/dbraw/zinc/63/20/50/1101632050.db2.gz GWDKAUYOBXKTCW-UHFFFAOYSA-N -1 1 334.759 2.640 10 10 EFCEMM C[C@](O)(CNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1 ZINC001654470549 1101720219 /nfs/dbraw/zinc/72/02/19/1101720219.db2.gz KPBHQKWJAAYQBV-INIZCTEOSA-N -1 1 339.750 2.528 10 10 EFCEMM C[C@@](O)(CNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1 ZINC001654470550 1101720496 /nfs/dbraw/zinc/72/04/96/1101720496.db2.gz KPBHQKWJAAYQBV-MRXNPFEDSA-N -1 1 339.750 2.528 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CC(=O)NC[C@H]2C(C)(C)C)c1[O-] ZINC001655695700 1101873047 /nfs/dbraw/zinc/87/30/47/1101873047.db2.gz LPXSDWADRQVBEJ-AWEZNQCLSA-N -1 1 338.835 2.595 10 10 EFCEMM COc1cccc(C(C)=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784053464 1104058035 /nfs/dbraw/zinc/05/80/35/1104058035.db2.gz FNQBNUDKYQMZMT-XYOKQWHBSA-N -1 1 342.347 2.936 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1Cc2ccccc2O1 ZINC001672752141 1105895024 /nfs/dbraw/zinc/89/50/24/1105895024.db2.gz QLPLRHHLHUCJIA-ZDUSSCGKSA-N -1 1 332.787 2.849 10 10 EFCEMM O=C(NCc1cc(C(F)F)on1)NCc1cccc(Cl)c1[O-] ZINC001676875463 1106612653 /nfs/dbraw/zinc/61/26/53/1106612653.db2.gz ZVSDGJYIAHCLHF-UHFFFAOYSA-N -1 1 331.706 2.971 10 10 EFCEMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784024 212248327 /nfs/dbraw/zinc/24/83/27/212248327.db2.gz MTHJHMCYZUHYET-SECBINFHSA-N -1 1 347.396 2.570 10 10 EFCEMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000294941512 475094134 /nfs/dbraw/zinc/09/41/34/475094134.db2.gz LLJUJNHWDZRGCT-MEBBXXQBSA-N -1 1 349.333 2.978 10 10 EFCEMM CO[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000295230939 475112639 /nfs/dbraw/zinc/11/26/39/475112639.db2.gz CXBROFLGDWEWGE-AAEUAGOBSA-N -1 1 342.233 2.976 10 10 EFCEMM CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000373587215 476416339 /nfs/dbraw/zinc/41/63/39/476416339.db2.gz WFLMQHTULHOZPY-ZIAGYGMSSA-N -1 1 327.808 2.588 10 10 EFCEMM C[C@H](NCc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756539248 575757596 /nfs/dbraw/zinc/75/75/96/575757596.db2.gz KXWDOHVVGXDDFT-VIFPVBQESA-N -1 1 344.293 2.910 10 10 EFCEMM COCc1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000764933551 576525949 /nfs/dbraw/zinc/52/59/49/576525949.db2.gz FGTXJZRTJADKEQ-UHFFFAOYSA-N -1 1 330.207 2.765 10 10 EFCEMM CC(C)c1cccnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770089461 577401570 /nfs/dbraw/zinc/40/15/70/577401570.db2.gz PRRDCRSLRBYPFE-UHFFFAOYSA-N -1 1 349.412 2.534 10 10 EFCEMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000773086059 581395537 /nfs/dbraw/zinc/39/55/37/581395537.db2.gz CIUMBZIJANZREV-NSHDSACASA-N -1 1 339.486 2.865 10 10 EFCEMM CCCCCc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n[nH]1 ZINC000850008800 1250220926 /nfs/dbraw/zinc/22/09/26/1250220926.db2.gz AQNPPDBWVRVIRM-UHFFFAOYSA-N -1 1 332.356 2.593 10 10 EFCEMM Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124757 1278419420 /nfs/dbraw/zinc/41/94/20/1278419420.db2.gz XJYJZLMNMPKLLG-MADCSZMMSA-N -1 1 327.705 2.930 10 10 EFCEMM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742434409 1270061496 /nfs/dbraw/zinc/06/14/96/1270061496.db2.gz IGLQWONZNDMHMM-LFIBNONCSA-N -1 1 330.347 2.538 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2ccnn2C)c1[O-] ZINC000844465832 1279022498 /nfs/dbraw/zinc/02/24/98/1279022498.db2.gz VXARTZIMNATSHI-MRXNPFEDSA-N -1 1 349.818 2.555 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818330155 1276507934 /nfs/dbraw/zinc/50/79/34/1276507934.db2.gz OMTYACCXJBAAMC-YMTOWFKASA-N -1 1 325.792 2.933 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818330155 1276507941 /nfs/dbraw/zinc/50/79/41/1276507941.db2.gz OMTYACCXJBAAMC-YMTOWFKASA-N -1 1 325.792 2.933 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC001297438773 1323216754 /nfs/dbraw/zinc/21/67/54/1323216754.db2.gz DANOGUPAFROWPW-SNVBAGLBSA-N -1 1 335.201 2.970 10 10 EFCEMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCc2[nH]cnc2C1 ZINC000854473618 1300582300 /nfs/dbraw/zinc/58/23/00/1300582300.db2.gz BWYWKAOANJIQPK-QMMMGPOBSA-N -1 1 340.210 2.843 10 10 EFCEMM COc1ccc(N2CC[C@@H](NC(=O)c3c([O-])cccc3F)C2)cc1 ZINC000855224540 1300847328 /nfs/dbraw/zinc/84/73/28/1300847328.db2.gz FUXNEEXHVMNZMN-GFCCVEGCSA-N -1 1 330.359 2.549 10 10 EFCEMM COc1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1O ZINC000797820410 1302933966 /nfs/dbraw/zinc/93/39/66/1302933966.db2.gz WODXMEZFFFCTCF-UHFFFAOYSA-N -1 1 330.365 2.750 10 10 EFCEMM CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827544897 1315998052 /nfs/dbraw/zinc/99/80/52/1315998052.db2.gz NEOHZSBQRFZAFV-LBPRGKRZSA-N -1 1 346.258 2.887 10 10 EFCEMM Cc1cccc(NC(=O)NCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001159034358 1311438343 /nfs/dbraw/zinc/43/83/43/1311438343.db2.gz SCAZEVKZDALRLQ-UHFFFAOYSA-N -1 1 347.802 2.792 10 10 EFCEMM COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041047 1311439568 /nfs/dbraw/zinc/43/95/68/1311439568.db2.gz AWFXIWCQQIMCAV-UHFFFAOYSA-N -1 1 336.731 2.892 10 10 EFCEMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([N+](=O)[O-])[n-]1 ZINC001160564337 1311737826 /nfs/dbraw/zinc/73/78/26/1311737826.db2.gz YSBVCIQKIASCEH-UHFFFAOYSA-N -1 1 348.322 2.885 10 10 EFCEMM Cc1[nH]c(C=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001297442267 1323218009 /nfs/dbraw/zinc/21/80/09/1323218009.db2.gz YYXAVELUCSOCGY-UHFFFAOYSA-N -1 1 337.173 2.534 10 10 EFCEMM O=C(NCCc1cnc2ccccc2c1)c1c(F)ccc(O)c1[O-] ZINC001306892277 1324730157 /nfs/dbraw/zinc/73/01/57/1324730157.db2.gz BYQZZMSFBUDVOP-UHFFFAOYSA-N -1 1 326.327 2.758 10 10 EFCEMM CC[C@@H](NCC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062877 1324863060 /nfs/dbraw/zinc/86/30/60/1324863060.db2.gz WWNFVXAPVTXUNP-IYKSTZQJSA-N -1 1 328.416 2.928 10 10 EFCEMM COC12CCC(C(=O)NCc3cccc(Cl)c3[O-])(CC1)C(=O)C2 ZINC001353173651 1333983397 /nfs/dbraw/zinc/98/33/97/1333983397.db2.gz JPMOIJCBHYUJTN-UHFFFAOYSA-N -1 1 337.803 2.580 10 10 EFCEMM C=CC(=O)NCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001457037318 1394934389 /nfs/dbraw/zinc/93/43/89/1394934389.db2.gz LEOJOBRXBBXGRF-UHFFFAOYSA-N -1 1 344.798 2.778 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001457036357 1394934498 /nfs/dbraw/zinc/93/44/98/1394934498.db2.gz GHNRPZINKUJHPM-GFCCVEGCSA-N -1 1 348.761 2.927 10 10 EFCEMM COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001457037580 1394934951 /nfs/dbraw/zinc/93/49/51/1394934951.db2.gz MKSHHIOEQJRGBY-UHFFFAOYSA-N -1 1 336.731 2.892 10 10 EFCEMM COc1ccn2c(c1)ncc2C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038168 1394935721 /nfs/dbraw/zinc/93/57/21/1394935721.db2.gz VLRPOGTZDQMLBQ-UHFFFAOYSA-N -1 1 331.759 2.632 10 10 EFCEMM C=COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC001468858054 1396987316 /nfs/dbraw/zinc/98/73/16/1396987316.db2.gz OXNCGTGUCGGRJS-UHFFFAOYSA-N -1 1 348.380 2.538 10 10 EFCEMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(F)ccc1N(C)C ZINC001472633969 1397263694 /nfs/dbraw/zinc/26/36/94/1397263694.db2.gz JZEGAUJKOJALOI-SECBINFHSA-N -1 1 336.338 2.933 10 10 EFCEMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC001558757130 1415199686 /nfs/dbraw/zinc/19/96/86/1415199686.db2.gz QGEMCWRGTCEFAB-UHFFFAOYSA-N -1 1 336.731 2.892 10 10 EFCEMM O=C(CNC(=O)OCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001558756918 1415199871 /nfs/dbraw/zinc/19/98/71/1415199871.db2.gz HVKCBMPQQXZTTK-UHFFFAOYSA-N -1 1 348.786 2.588 10 10 EFCEMM COc1ccc(CNC(=O)c2c([O-])c(O)ccc2F)cc1Cl ZINC001559031612 1415219684 /nfs/dbraw/zinc/21/96/84/1415219684.db2.gz OCFILVFHJHKGTK-UHFFFAOYSA-N -1 1 325.723 2.829 10 10 EFCEMM COc1ccnc(CNC(=O)NCc2cccc(Cl)c2[O-])c1F ZINC001565093279 1415389631 /nfs/dbraw/zinc/38/96/31/1415389631.db2.gz UYQRDVQNFUXFRX-UHFFFAOYSA-N -1 1 339.754 2.588 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1[O-] ZINC000319857479 722654206 /nfs/dbraw/zinc/65/42/06/722654206.db2.gz GDMKUJSVXGMECI-CYBMUJFWSA-N -1 1 337.725 2.747 10 10 EFCEMM CC1(C)C[C@@H](O)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895460398 724144176 /nfs/dbraw/zinc/14/41/76/724144176.db2.gz OHTGBPQOZDDJJW-LLVKDONJSA-N -1 1 332.213 2.887 10 10 EFCEMM CCC(C)(C)C(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000907756999 727009131 /nfs/dbraw/zinc/00/91/31/727009131.db2.gz BQKFANUMTKEBKS-UHFFFAOYSA-N -1 1 328.206 2.776 10 10 EFCEMM CC(C)(C)OC(=O)NCC(F)(F)CNCc1cccc(F)c1[O-] ZINC000230955422 728608431 /nfs/dbraw/zinc/60/84/31/728608431.db2.gz VOEDHRPXXLFKFD-UHFFFAOYSA-N -1 1 334.338 2.781 10 10 EFCEMM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001647827059 1089888116 /nfs/dbraw/zinc/88/81/16/1089888116.db2.gz VARNCZFJDXXJJJ-INIZCTEOSA-N -1 1 344.798 2.640 10 10 EFCEMM C[S@](=O)c1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001647830001 1089888726 /nfs/dbraw/zinc/88/87/26/1089888726.db2.gz DCAYWHMJASZQOS-QFIPXVFZSA-N -1 1 337.828 2.642 10 10 EFCEMM Cc1ccc([C@H](C)NC(=O)c2c([O-])c(O)ccc2F)cc1[N+](=O)[O-] ZINC001650842577 1093499364 /nfs/dbraw/zinc/49/93/64/1093499364.db2.gz WRQQBYSPHIAUPM-VIFPVBQESA-N -1 1 334.303 2.945 10 10 EFCEMM CN(C)C(=O)c1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606860178 1097463484 /nfs/dbraw/zinc/46/34/84/1097463484.db2.gz GQVRMRRIUYDSSM-UHFFFAOYSA-N -1 1 332.787 2.677 10 10 EFCEMM COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(C=O)c2[O-])c1 ZINC001622778995 1099543271 /nfs/dbraw/zinc/54/32/71/1099543271.db2.gz FARWHDUHGDHNCT-NSHDSACASA-N -1 1 329.352 2.718 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cnc2[nH]ccc2c1 ZINC001623364589 1099580701 /nfs/dbraw/zinc/58/07/01/1099580701.db2.gz RWAQCVBEHDDJGX-UHFFFAOYSA-N -1 1 346.184 2.913 10 10 EFCEMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001626978590 1099943673 /nfs/dbraw/zinc/94/36/73/1099943673.db2.gz VTHZGRBHBRDRON-CYBMUJFWSA-N -1 1 344.386 2.859 10 10 EFCEMM O=C(C[C@@H]1CCCC[C@H]1O)NCc1cccc(Br)c1[O-] ZINC001634725425 1100626539 /nfs/dbraw/zinc/62/65/39/1100626539.db2.gz XLOOHGKCPKYASA-GXFFZTMASA-N -1 1 342.233 2.712 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1ccc2nonc2c1 ZINC001635840805 1100682808 /nfs/dbraw/zinc/68/28/08/1100682808.db2.gz XJCBVXWBEWKUHE-UHFFFAOYSA-N -1 1 348.156 2.621 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cc2nnc[nH]2)cc1 ZINC001637227103 1100766449 /nfs/dbraw/zinc/76/64/49/1100766449.db2.gz NIWVCWXGSZQUHS-UHFFFAOYSA-N -1 1 342.786 2.685 10 10 EFCEMM O=C(CN1Cc2ccccc2OC1=O)NCc1cccc(Cl)c1[O-] ZINC001637231954 1100766693 /nfs/dbraw/zinc/76/66/93/1100766693.db2.gz DUTBKHNRHUDPTB-UHFFFAOYSA-N -1 1 346.770 2.676 10 10 EFCEMM O=C(NCc1ccc(OC(F)F)cc1F)c1c(F)ccc(O)c1[O-] ZINC001638995536 1100903850 /nfs/dbraw/zinc/90/38/50/1100903850.db2.gz FZPGAPVNVHXNBR-UHFFFAOYSA-N -1 1 345.248 2.907 10 10 EFCEMM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001640404578 1101043048 /nfs/dbraw/zinc/04/30/48/1101043048.db2.gz CWVFSVSZFZBTMX-UHFFFAOYSA-N -1 1 346.774 2.673 10 10 EFCEMM COC(=O)c1coc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640405358 1101043194 /nfs/dbraw/zinc/04/31/94/1101043194.db2.gz RZSGGQCIHSJJIP-AATRIKPKSA-N -1 1 335.743 2.755 10 10 EFCEMM COc1ccc(N2CC[C@H](CNC(=O)c3cccc([O-])c3F)C2)cc1 ZINC001643347441 1101291526 /nfs/dbraw/zinc/29/15/26/1101291526.db2.gz ZPZGWPXFTNKHNX-CYBMUJFWSA-N -1 1 344.386 2.796 10 10 EFCEMM CC[C@@H](C)n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000784940508 1101426082 /nfs/dbraw/zinc/42/60/82/1101426082.db2.gz YVYYXBQNGPBPSN-SNVBAGLBSA-N -1 1 332.356 2.613 10 10 EFCEMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])NC(=O)c1ccccc1 ZINC001653563881 1101632956 /nfs/dbraw/zinc/63/29/56/1101632956.db2.gz QZWNULMEGWUBJN-GFCCVEGCSA-N -1 1 346.814 2.870 10 10 EFCEMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1c([O-])c(O)ccc1F ZINC001654270638 1101700401 /nfs/dbraw/zinc/70/04/01/1101700401.db2.gz NQHUSPZUWDQION-UHFFFAOYSA-N -1 1 341.342 2.695 10 10 EFCEMM Cc1[nH]c2ccccc2c1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC001654280408 1101700722 /nfs/dbraw/zinc/70/07/22/1101700722.db2.gz HLPZIVBOMOHTBH-UHFFFAOYSA-N -1 1 328.343 2.999 10 10 EFCEMM CC(C)(C)OC1CC(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784960331 1102089189 /nfs/dbraw/zinc/08/91/89/1102089189.db2.gz RXNBBPSXADSJKL-UHFFFAOYSA-N -1 1 336.384 2.808 10 10 EFCEMM C[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737321 1103572339 /nfs/dbraw/zinc/57/23/39/1103572339.db2.gz GSGVNLYCAFUJMF-AWEZNQCLSA-N -1 1 341.407 2.940 10 10 EFCEMM C[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737321 1103572365 /nfs/dbraw/zinc/57/23/65/1103572365.db2.gz GSGVNLYCAFUJMF-AWEZNQCLSA-N -1 1 341.407 2.940 10 10 EFCEMM Cc1nc(CC2CC2)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784903318 1108719037 /nfs/dbraw/zinc/71/90/37/1108719037.db2.gz DQEUCFRGDSFKRT-UHFFFAOYSA-N -1 1 347.392 2.855 10 10 EFCEMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(Br)o1 ZINC000001508512 201510632 /nfs/dbraw/zinc/51/06/32/201510632.db2.gz ZTURGPIULKJFTD-UHFFFAOYSA-N -1 1 348.156 2.522 10 10 EFCEMM COc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000088547032 472373263 /nfs/dbraw/zinc/37/32/63/472373263.db2.gz UTOZEJCTVMECJR-UHFFFAOYSA-N -1 1 339.373 2.640 10 10 EFCEMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccccc2)O1 ZINC000276571144 474566352 /nfs/dbraw/zinc/56/63/52/474566352.db2.gz KKNYCQKUTZTKDQ-XHDPSFHLSA-N -1 1 331.343 2.839 10 10 EFCEMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000276571140 474566645 /nfs/dbraw/zinc/56/66/45/474566645.db2.gz KKNYCQKUTZTKDQ-ABAIWWIYSA-N -1 1 331.343 2.839 10 10 EFCEMM CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000373587213 476416556 /nfs/dbraw/zinc/41/65/56/476416556.db2.gz WFLMQHTULHOZPY-KGLIPLIRSA-N -1 1 327.808 2.588 10 10 EFCEMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736447 476424112 /nfs/dbraw/zinc/42/41/12/476424112.db2.gz BAPMLDJVCLDKMQ-DYLAAIIWSA-N -1 1 329.227 2.785 10 10 EFCEMM CCn1ncc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000527925598 478573322 /nfs/dbraw/zinc/57/33/22/478573322.db2.gz VKEQEVKXBDSQCN-MRVPVSSYSA-N -1 1 343.200 2.756 10 10 EFCEMM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528213448 478684132 /nfs/dbraw/zinc/68/41/32/478684132.db2.gz OUZLUBIFGHOJTA-RISCZKNCSA-N -1 1 343.221 2.521 10 10 EFCEMM Cc1cnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c([O-])c1 ZINC000763257170 576369845 /nfs/dbraw/zinc/36/98/45/576369845.db2.gz CQWNMRMBMMKODP-OAHLLOKOSA-N -1 1 342.395 2.623 10 10 EFCEMM CNC(=O)c1cccnc1NCc1cccc(Br)c1[O-] ZINC000764935593 576526256 /nfs/dbraw/zinc/52/62/56/576526256.db2.gz ZBADJOSDOLPVES-UHFFFAOYSA-N -1 1 336.189 2.521 10 10 EFCEMM CCc1onc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765727861 577070982 /nfs/dbraw/zinc/07/09/82/577070982.db2.gz QAPZNCXDPRVUDQ-UHFFFAOYSA-N -1 1 339.189 2.944 10 10 EFCEMM COC(=O)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765730575 577071125 /nfs/dbraw/zinc/07/11/25/577071125.db2.gz DEVNMUVUXZHAMG-UHFFFAOYSA-N -1 1 344.205 2.504 10 10 EFCEMM CNc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765943912 577090869 /nfs/dbraw/zinc/09/08/69/577090869.db2.gz MTBVGNIPBROFTB-UHFFFAOYSA-N -1 1 342.218 2.583 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000842938439 1257064899 /nfs/dbraw/zinc/06/48/99/1257064899.db2.gz WPURXBLIAZOTMU-LKFCYVNXSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000842938439 1257064905 /nfs/dbraw/zinc/06/49/05/1257064905.db2.gz WPURXBLIAZOTMU-LKFCYVNXSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000842938439 1257064912 /nfs/dbraw/zinc/06/49/12/1257064912.db2.gz WPURXBLIAZOTMU-LKFCYVNXSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000842938440 1257064966 /nfs/dbraw/zinc/06/49/66/1257064966.db2.gz WPURXBLIAZOTMU-OTYXRUKQSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000842938440 1257064975 /nfs/dbraw/zinc/06/49/75/1257064975.db2.gz WPURXBLIAZOTMU-OTYXRUKQSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000842938440 1257064983 /nfs/dbraw/zinc/06/49/83/1257064983.db2.gz WPURXBLIAZOTMU-OTYXRUKQSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818330153 1276507243 /nfs/dbraw/zinc/50/72/43/1276507243.db2.gz OMTYACCXJBAAMC-OTYXRUKQSA-N -1 1 325.792 2.933 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818330153 1276507245 /nfs/dbraw/zinc/50/72/45/1276507245.db2.gz OMTYACCXJBAAMC-OTYXRUKQSA-N -1 1 325.792 2.933 10 10 EFCEMM C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631677 1276541756 /nfs/dbraw/zinc/54/17/56/1276541756.db2.gz MPEVWRJUQVYKSP-ZANVPECISA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631677 1276541764 /nfs/dbraw/zinc/54/17/64/1276541764.db2.gz MPEVWRJUQVYKSP-ZANVPECISA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C(=O)[O-] ZINC000818631101 1276541934 /nfs/dbraw/zinc/54/19/34/1276541934.db2.gz CFBRTAUUAXGDPE-PELKAZGASA-N -1 1 328.752 2.639 10 10 EFCEMM COC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000789573257 1276819823 /nfs/dbraw/zinc/81/98/23/1276819823.db2.gz IKJHCKVFVIRDCW-LBPRGKRZSA-N -1 1 328.206 2.504 10 10 EFCEMM Cc1cc([C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])CCO2)ccc1F ZINC000789995655 1277154178 /nfs/dbraw/zinc/15/41/78/1277154178.db2.gz QRJYYTYYRFCCLF-HNNXBMFYSA-N -1 1 349.333 2.898 10 10 EFCEMM CC(C)C1(S(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000867194997 1294339859 /nfs/dbraw/zinc/33/98/59/1294339859.db2.gz MUYPPNSBODPGJG-UHFFFAOYSA-N -1 1 348.262 2.763 10 10 EFCEMM O=C(COC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000803736420 1313074853 /nfs/dbraw/zinc/07/48/53/1313074853.db2.gz KGXGOBRLLSYKOQ-UWVGGRQHSA-N -1 1 332.274 2.802 10 10 EFCEMM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034389 1311438542 /nfs/dbraw/zinc/43/85/42/1311438542.db2.gz UHUOSENFUWNCFO-UHFFFAOYSA-N -1 1 336.731 2.892 10 10 EFCEMM O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC001162279250 1312079267 /nfs/dbraw/zinc/07/92/67/1312079267.db2.gz XLWISGPPLZXOTC-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM COc1c([O-])c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955517 1316256411 /nfs/dbraw/zinc/25/64/11/1316256411.db2.gz JBYCFXVIHORKSO-BJOHPYRUSA-N -1 1 346.330 2.554 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1ncc(Cl)cn1 ZINC001297441083 1323218125 /nfs/dbraw/zinc/21/81/25/1323218125.db2.gz SDOIGKIEXHPQOL-UHFFFAOYSA-N -1 1 342.580 2.528 10 10 EFCEMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccccn1 ZINC001305069905 1324671509 /nfs/dbraw/zinc/67/15/09/1324671509.db2.gz UKFCROCHPOKSOI-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM CCCN(CCC)c1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000901911809 1324759496 /nfs/dbraw/zinc/75/94/96/1324759496.db2.gz NMQABJXLOJKYKF-CRAIPNDOSA-N -1 1 334.460 2.987 10 10 EFCEMM C[C@@H](NCc1nc(CN(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903223159 1324826302 /nfs/dbraw/zinc/82/63/02/1324826302.db2.gz VXNIIUPLYOJGOD-SNVBAGLBSA-N -1 1 336.417 2.669 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])Nc1nc2c(s1)COCC2 ZINC001333360999 1331125194 /nfs/dbraw/zinc/12/51/94/1331125194.db2.gz QGQOROXFHDIJBJ-UHFFFAOYSA-N -1 1 339.804 2.897 10 10 EFCEMM Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001457035564 1394934066 /nfs/dbraw/zinc/93/40/66/1394934066.db2.gz CBNJGHUXARDJJD-UHFFFAOYSA-N -1 1 344.802 2.944 10 10 EFCEMM Cn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001457036791 1394934647 /nfs/dbraw/zinc/93/46/47/1394934647.db2.gz NKZIJADEPFJVAQ-UHFFFAOYSA-N -1 1 331.759 2.568 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cnc2cc[nH]c2c1 ZINC001467763049 1396894608 /nfs/dbraw/zinc/89/46/08/1396894608.db2.gz AQQNAXBEDQLNSY-UHFFFAOYSA-N -1 1 346.184 2.961 10 10 EFCEMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1 ZINC000243341549 1419217808 /nfs/dbraw/zinc/21/78/08/1419217808.db2.gz LTDOZYOJWJEXLK-UHFFFAOYSA-N -1 1 333.413 2.512 10 10 EFCEMM O=C(NCc1cc(Br)ccc1O)c1c([O-])cccc1F ZINC000804735087 713455724 /nfs/dbraw/zinc/45/57/24/713455724.db2.gz KUMYKONOJNZTMT-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154114739 727714328 /nfs/dbraw/zinc/71/43/28/727714328.db2.gz MOQGWIIYMXGEEC-GFCCVEGCSA-N -1 1 339.355 2.732 10 10 EFCEMM COc1cccc(OC)c1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001648606373 1092237764 /nfs/dbraw/zinc/23/77/64/1092237764.db2.gz PLJRNLFHNFRIEN-UHFFFAOYSA-N -1 1 335.787 2.922 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]nc1-c1ccncc1 ZINC001648606729 1092238817 /nfs/dbraw/zinc/23/88/17/1092238817.db2.gz WUJOBPOZCBIDAU-UHFFFAOYSA-N -1 1 328.759 2.761 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(c2ccccc2)=NO1 ZINC001648606473 1092239267 /nfs/dbraw/zinc/23/92/67/1092239267.db2.gz QXJONPQGEOBFDS-HNNXBMFYSA-N -1 1 330.771 2.855 10 10 EFCEMM COc1ccc2[nH]cc(CCNC(=O)c3c(F)ccc(O)c3[O-])c2c1 ZINC001650797024 1093495540 /nfs/dbraw/zinc/49/55/40/1093495540.db2.gz MEUQAEUNMSQEFY-UHFFFAOYSA-N -1 1 344.342 2.699 10 10 EFCEMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001650913063 1093508054 /nfs/dbraw/zinc/50/80/54/1093508054.db2.gz YLONSYSKWIEEDK-FVMDXXJSSA-N -1 1 337.322 2.882 10 10 EFCEMM COc1ccc(N2CCC(NC(=O)c3cccc([O-])c3F)CC2)cc1 ZINC001626479654 1099879509 /nfs/dbraw/zinc/87/95/09/1099879509.db2.gz LMBWYACHESCSOK-UHFFFAOYSA-N -1 1 344.386 2.939 10 10 EFCEMM C[Si](C)(CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001635195663 1100648695 /nfs/dbraw/zinc/64/86/95/1100648695.db2.gz AHBLGYNQUWAXBP-UHFFFAOYSA-N -1 1 348.906 3.000 10 10 EFCEMM Cc1cnc(F)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001635839771 1100682904 /nfs/dbraw/zinc/68/29/04/1100682904.db2.gz LPMZAACNFKWOMX-UHFFFAOYSA-N -1 1 339.164 2.927 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)Nc2ccccc21 ZINC001640402327 1101044107 /nfs/dbraw/zinc/04/41/07/1101044107.db2.gz QAFWIPKOIRKZKF-GFCCVEGCSA-N -1 1 330.771 2.788 10 10 EFCEMM CNc1ncnc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc21 ZINC001653567188 1101632523 /nfs/dbraw/zinc/63/25/23/1101632523.db2.gz ORYFMSLCEMMLPQ-UHFFFAOYSA-N -1 1 342.786 2.961 10 10 EFCEMM CCCOc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000021024183 212200643 /nfs/dbraw/zinc/20/06/43/212200643.db2.gz RFLILXCKKWPUKT-UHFFFAOYSA-N -1 1 337.379 2.956 10 10 EFCEMM COc1ccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000080000430 472958538 /nfs/dbraw/zinc/95/85/38/472958538.db2.gz FGISNFBYHQSPAS-UHFFFAOYSA-N -1 1 330.359 2.502 10 10 EFCEMM Cn1nccc1C1=CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000289319113 474223856 /nfs/dbraw/zinc/22/38/56/474223856.db2.gz FNBYGINTGMFIGD-UHFFFAOYSA-N -1 1 348.790 2.977 10 10 EFCEMM CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000284691269 474726179 /nfs/dbraw/zinc/72/61/79/474726179.db2.gz HXUSISWAAAGZAC-OAHLLOKOSA-N -1 1 336.407 2.615 10 10 EFCEMM O=C([C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCCC1 ZINC000293901349 475058592 /nfs/dbraw/zinc/05/85/92/475058592.db2.gz LAWKIMNKVYQEFF-NSHDSACASA-N -1 1 326.799 2.629 10 10 EFCEMM O=C(NCCCCOCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000295362008 475121882 /nfs/dbraw/zinc/12/18/82/475121882.db2.gz WCZUADQJHSGVJB-UHFFFAOYSA-N -1 1 333.359 2.964 10 10 EFCEMM O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367440005 477511141 /nfs/dbraw/zinc/51/11/41/477511141.db2.gz YXWKDIXNYTXYIG-HNNXBMFYSA-N -1 1 326.780 2.956 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCSC[C@H]2CCO)c1[O-] ZINC000759726066 575926945 /nfs/dbraw/zinc/92/69/45/575926945.db2.gz CIAQUZIEMDKPRY-CYBMUJFWSA-N -1 1 329.849 2.548 10 10 EFCEMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])o1 ZINC000766199746 577120487 /nfs/dbraw/zinc/12/04/87/577120487.db2.gz GZRGBAATQGRCPH-UHFFFAOYSA-N -1 1 346.202 2.535 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000769756479 577383023 /nfs/dbraw/zinc/38/30/23/577383023.db2.gz WVEAZSLFPODVIX-NSHDSACASA-N -1 1 325.792 2.935 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000769756479 577383025 /nfs/dbraw/zinc/38/30/25/577383025.db2.gz WVEAZSLFPODVIX-NSHDSACASA-N -1 1 325.792 2.935 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000769756478 577383054 /nfs/dbraw/zinc/38/30/54/577383054.db2.gz WVEAZSLFPODVIX-LLVKDONJSA-N -1 1 325.792 2.935 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000769756478 577383057 /nfs/dbraw/zinc/38/30/57/577383057.db2.gz WVEAZSLFPODVIX-LLVKDONJSA-N -1 1 325.792 2.935 10 10 EFCEMM COc1c(Cl)cccc1CNC(=O)c1c([O-])c(O)ccc1F ZINC001649087958 1258287420 /nfs/dbraw/zinc/28/74/20/1258287420.db2.gz WIJYSSHKHZQDIG-UHFFFAOYSA-N -1 1 325.723 2.829 10 10 EFCEMM O=C(COC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccc([O-])c(O)c1 ZINC000923426105 1261634541 /nfs/dbraw/zinc/63/45/41/1261634541.db2.gz NAHLZYKLDGCFBP-ZDUSSCGKSA-N -1 1 334.368 2.563 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824849172 1278312231 /nfs/dbraw/zinc/31/22/31/1278312231.db2.gz TWLBCWDWRFCYAM-JGPRNRPPSA-N -1 1 325.206 2.752 10 10 EFCEMM Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124755 1278418861 /nfs/dbraw/zinc/41/88/61/1278418861.db2.gz XJYJZLMNMPKLLG-JVXZTZIISA-N -1 1 327.705 2.930 10 10 EFCEMM O=C([N-]c1c2nonc2ccc1Cl)c1csc(-c2ncc[nH]2)n1 ZINC001128704772 1269643690 /nfs/dbraw/zinc/64/36/90/1269643690.db2.gz XZVVQCQLYNIJTN-UHFFFAOYSA-N -1 1 346.759 2.975 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C(=O)[O-] ZINC000818631102 1276541814 /nfs/dbraw/zinc/54/18/14/1276541814.db2.gz CFBRTAUUAXGDPE-PRHODGIISA-N -1 1 328.752 2.639 10 10 EFCEMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000812298955 1285062540 /nfs/dbraw/zinc/06/25/40/1285062540.db2.gz XHLHRIFNGVUBCB-OAHLLOKOSA-N -1 1 341.407 2.940 10 10 EFCEMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000812298955 1285062551 /nfs/dbraw/zinc/06/25/51/1285062551.db2.gz XHLHRIFNGVUBCB-OAHLLOKOSA-N -1 1 341.407 2.940 10 10 EFCEMM Cc1nc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2o1 ZINC000795660172 1290993420 /nfs/dbraw/zinc/99/34/20/1290993420.db2.gz UDDXIAZZHQSCLA-UHFFFAOYSA-N -1 1 327.292 2.587 10 10 EFCEMM Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2cc(F)ccc21 ZINC000796378628 1294594209 /nfs/dbraw/zinc/59/42/09/1294594209.db2.gz ZGULSXOOFOPZST-UHFFFAOYSA-N -1 1 343.310 2.768 10 10 EFCEMM [O-]c1c(F)cc(Br)cc1CNc1n[nH]c2c1COCC2 ZINC000886202997 1294760889 /nfs/dbraw/zinc/76/08/89/1294760889.db2.gz JIEUQJFBQZZFPG-UHFFFAOYSA-N -1 1 342.168 2.702 10 10 EFCEMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000852582291 1299770074 /nfs/dbraw/zinc/77/00/74/1299770074.db2.gz SPNCYPJFUJLSOO-GFCCVEGCSA-N -1 1 349.175 2.999 10 10 EFCEMM O=C([O-])[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000854247965 1300486483 /nfs/dbraw/zinc/48/64/83/1300486483.db2.gz LLEQBXGWSDMFCA-GFCCVEGCSA-N -1 1 328.206 2.745 10 10 EFCEMM CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000866629086 1303719621 /nfs/dbraw/zinc/71/96/21/1303719621.db2.gz VWTIMSHBTNVKLE-CYBMUJFWSA-N -1 1 342.443 2.562 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])C1CC2(CSC2)C1 ZINC000867830758 1303975505 /nfs/dbraw/zinc/97/55/05/1303975505.db2.gz IARSSEZYYYWWGV-UHFFFAOYSA-N -1 1 342.258 2.914 10 10 EFCEMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000901662139 1310842345 /nfs/dbraw/zinc/84/23/45/1310842345.db2.gz VRKFMFCUUNRFMT-ZDUSSCGKSA-N -1 1 343.445 2.880 10 10 EFCEMM O=S(=O)(CC1Cc2ccccc2C1)Nc1ccc([O-])c(F)c1F ZINC000901680487 1310878040 /nfs/dbraw/zinc/87/80/40/1310878040.db2.gz GIESMUTWKLQORX-UHFFFAOYSA-N -1 1 339.363 2.827 10 10 EFCEMM O=C(c1c(F)ccc(O)c1[O-])N1Cc2cnn(-c3ccccc3)c2C1 ZINC001161421090 1311883712 /nfs/dbraw/zinc/88/37/12/1311883712.db2.gz FKVHTADPRXYWAB-UHFFFAOYSA-N -1 1 339.326 2.579 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@H](O)C(F)(F)C2)c1 ZINC000826957762 1315540303 /nfs/dbraw/zinc/54/03/03/1315540303.db2.gz GGZYWAFNSRGVTA-NSHDSACASA-N -1 1 336.176 2.665 10 10 EFCEMM Cc1nn(C)c2ncc(C(=O)NCc3cccc(Cl)c3[O-])cc12 ZINC001305069959 1324671116 /nfs/dbraw/zinc/67/11/16/1324671116.db2.gz WCVOJNNOEQDZGJ-UHFFFAOYSA-N -1 1 330.775 2.566 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cnnn1-c1cccc(F)c1 ZINC001305084921 1324672270 /nfs/dbraw/zinc/67/22/70/1324672270.db2.gz OVNTVGYYEJWETM-UHFFFAOYSA-N -1 1 346.749 2.695 10 10 EFCEMM CN(CC(=O)NCc1cccc(Cl)c1[O-])c1ccc(Cl)cn1 ZINC001305085181 1324672965 /nfs/dbraw/zinc/67/29/65/1324672965.db2.gz RPJRUQPLEJWATN-UHFFFAOYSA-N -1 1 340.210 2.847 10 10 EFCEMM COc1ccc(C[C@H]2CCN2C(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001306694944 1324718426 /nfs/dbraw/zinc/71/84/26/1324718426.db2.gz BGRIISBUXHSCOG-GFCCVEGCSA-N -1 1 331.343 2.703 10 10 EFCEMM COc1c2ccccc2oc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001306829457 1324722856 /nfs/dbraw/zinc/72/28/56/1324722856.db2.gz FWQJUULVFRUWSY-UHFFFAOYSA-N -1 1 331.299 2.922 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1[O-] ZINC001307878739 1324783911 /nfs/dbraw/zinc/78/39/11/1324783911.db2.gz XCQCRGJNPSWATC-HBNTYKKESA-N -1 1 338.835 2.688 10 10 EFCEMM CO[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001320907974 1329317988 /nfs/dbraw/zinc/31/79/88/1329317988.db2.gz OVIPHKLPHCPGHH-GHMZBOCLSA-N -1 1 343.221 2.521 10 10 EFCEMM Cc1cc(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC001450722489 1392716423 /nfs/dbraw/zinc/71/64/23/1392716423.db2.gz RGRDQRUENBVTSW-UHFFFAOYSA-N -1 1 328.199 2.980 10 10 EFCEMM C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038570 1394935782 /nfs/dbraw/zinc/93/57/82/1394935782.db2.gz XGVGRTRKTLHLNQ-BONVTDFDSA-N -1 1 337.778 2.966 10 10 EFCEMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1nccn1-c1ccccc1 ZINC001457860726 1395369840 /nfs/dbraw/zinc/36/98/40/1395369840.db2.gz RCYKJYFMEBCVQK-LLVKDONJSA-N -1 1 341.342 2.914 10 10 EFCEMM O=C(NCc1nc(-c2ccncc2)cs1)c1c(F)ccc(O)c1[O-] ZINC001457985837 1395394199 /nfs/dbraw/zinc/39/41/99/1395394199.db2.gz UKOSJSWJPPAKAD-UHFFFAOYSA-N -1 1 345.355 2.685 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCn3c(C)nnc3[C@H]2C)c1[O-] ZINC001473904894 1397349278 /nfs/dbraw/zinc/34/92/78/1397349278.db2.gz ABXIWBRQTNCISH-SECBINFHSA-N -1 1 334.807 2.725 10 10 EFCEMM C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(N(C)C)cc1 ZINC001556260153 1415060556 /nfs/dbraw/zinc/06/05/56/1415060556.db2.gz BUAMEFOLZFMRNM-NSHDSACASA-N -1 1 341.440 2.575 10 10 EFCEMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(N(C)C)cc1 ZINC001556260152 1415060697 /nfs/dbraw/zinc/06/06/97/1415060697.db2.gz BUAMEFOLZFMRNM-LLVKDONJSA-N -1 1 341.440 2.575 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc2nc[nH]c(=O)c21 ZINC001558757568 1415199946 /nfs/dbraw/zinc/19/99/46/1415199946.db2.gz KCHZMAWGPQWKHR-UHFFFAOYSA-N -1 1 329.743 2.624 10 10 EFCEMM O=C(NCCc1ccc2c[nH]nc2c1)NCc1cccc(Cl)c1[O-] ZINC001686441108 1416800034 /nfs/dbraw/zinc/80/00/34/1416800034.db2.gz COZPDBKRRHTZGM-UHFFFAOYSA-N -1 1 344.802 2.964 10 10 EFCEMM C[C@H](NCc1cnn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000806168538 713408415 /nfs/dbraw/zinc/40/84/15/713408415.db2.gz QCLDHVRFQXHDFO-ZETCQYMHSA-N -1 1 345.628 2.787 10 10 EFCEMM CCCCN1CC(=O)N[C@H]1c1cc(C)cc(Br)c1[O-] ZINC000781553946 716129261 /nfs/dbraw/zinc/12/92/61/716129261.db2.gz FNUXQEAOEHVUAS-CQSZACIVSA-N -1 1 327.222 2.694 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000781908659 716422807 /nfs/dbraw/zinc/42/28/07/716422807.db2.gz KUBKPSBZADFKSS-BFKGZMGPSA-N -1 1 346.290 2.804 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NC(C)(C)C)c1[O-] ZINC000176989959 717337892 /nfs/dbraw/zinc/33/78/92/717337892.db2.gz DWEWYYKBGDTUAY-UHFFFAOYSA-N -1 1 326.824 2.595 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000907758694 727009704 /nfs/dbraw/zinc/00/97/04/727009704.db2.gz SGPIRXKHHGEBFG-SKDRFNHKSA-N -1 1 328.206 2.586 10 10 EFCEMM Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467796 729544834 /nfs/dbraw/zinc/54/48/34/729544834.db2.gz GPCXEXVVEPGRRY-GFCCVEGCSA-N -1 1 337.221 2.583 10 10 EFCEMM COc1ccc(Cl)cc1CCNC(=O)c1c([O-])c(O)ccc1F ZINC001648555798 1092232118 /nfs/dbraw/zinc/23/21/18/1092232118.db2.gz GGYXBOCVSWPPIC-UHFFFAOYSA-N -1 1 339.750 2.871 10 10 EFCEMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1O ZINC001648606811 1092238032 /nfs/dbraw/zinc/23/80/32/1092238032.db2.gz ZMUQFDSSNWQCEV-UHFFFAOYSA-N -1 1 337.759 2.698 10 10 EFCEMM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cl)c1[O-] ZINC001648605855 1092238848 /nfs/dbraw/zinc/23/88/48/1092238848.db2.gz BJTPGEMWHLFACF-UHFFFAOYSA-N -1 1 336.731 2.649 10 10 EFCEMM O=C(Cc1nnc(-c2ccccc2)o1)NCc1cccc(Cl)c1[O-] ZINC001648608833 1092239409 /nfs/dbraw/zinc/23/94/09/1092239409.db2.gz NGJUESNJOKPJHC-UHFFFAOYSA-N -1 1 343.770 2.955 10 10 EFCEMM O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1c(F)ccc(O)c1[O-] ZINC001650668665 1093479732 /nfs/dbraw/zinc/47/97/32/1093479732.db2.gz XZZUUAKEEVYTRS-UHFFFAOYSA-N -1 1 344.342 2.515 10 10 EFCEMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001650913065 1093507997 /nfs/dbraw/zinc/50/79/97/1093507997.db2.gz YLONSYSKWIEEDK-XXFAHNHDSA-N -1 1 337.322 2.882 10 10 EFCEMM Cn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C(F)(F)F ZINC001606860682 1097463490 /nfs/dbraw/zinc/46/34/90/1097463490.db2.gz PMKWUMJGENNGKY-UHFFFAOYSA-N -1 1 333.697 2.728 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(Cn2cncn2)c1 ZINC001606869558 1097464365 /nfs/dbraw/zinc/46/43/65/1097464365.db2.gz VUYQJYPEVIYDTJ-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])[C@@H](C)C1 ZINC000781912339 1098700855 /nfs/dbraw/zinc/70/08/55/1098700855.db2.gz PFMWWQUYFYQZOX-NSHDSACASA-N -1 1 341.249 2.516 10 10 EFCEMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])cnc1F ZINC001626821972 1099923139 /nfs/dbraw/zinc/92/31/39/1099923139.db2.gz HVJBRWMRSSBGAW-UHFFFAOYSA-N -1 1 339.164 2.927 10 10 EFCEMM COc1ccc(N(C)CCN(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001632050655 1100450098 /nfs/dbraw/zinc/45/00/98/1100450098.db2.gz ZQBVSAPMBBUGAZ-UHFFFAOYSA-N -1 1 332.375 2.748 10 10 EFCEMM COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001632050596 1100450742 /nfs/dbraw/zinc/45/07/42/1100450742.db2.gz YJIRWWPIYQCMHI-UHFFFAOYSA-N -1 1 332.375 2.748 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cc(C(F)F)n[nH]1 ZINC001635839396 1100683083 /nfs/dbraw/zinc/68/30/83/1100683083.db2.gz BXSNWFRBPQMJNI-UHFFFAOYSA-N -1 1 346.131 2.745 10 10 EFCEMM O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1cccc(Cl)c1[O-] ZINC001653567387 1101632586 /nfs/dbraw/zinc/63/25/86/1101632586.db2.gz XCUFFSGGCANJQB-GFCCVEGCSA-N -1 1 348.761 2.927 10 10 EFCEMM Cc1cc(C(=O)N(C)c2nn[n-]n2)c(C)n1-c1ccc(Cl)cc1 ZINC001168360252 1108655662 /nfs/dbraw/zinc/65/56/62/1108655662.db2.gz YFSIWAHYYHSQBB-UHFFFAOYSA-N -1 1 330.779 2.537 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@]12C[C@H]1COC21CCC1 ZINC000898673369 1109051003 /nfs/dbraw/zinc/05/10/03/1109051003.db2.gz WIUWZJNKIGFFFD-BLLLJJGKSA-N -1 1 336.819 2.804 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C2CC2)nc1 ZINC000296787883 241099839 /nfs/dbraw/zinc/09/98/39/241099839.db2.gz QNJFFWLIAUNOMF-UHFFFAOYSA-N -1 1 348.200 2.752 10 10 EFCEMM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000021024963 212200913 /nfs/dbraw/zinc/20/09/13/212200913.db2.gz TZOJQHYUFIMNMC-AWEZNQCLSA-N -1 1 337.379 2.629 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000187205073 473837131 /nfs/dbraw/zinc/83/71/31/473837131.db2.gz AGCUPQNMAZBRLB-UHFFFAOYSA-N -1 1 348.834 2.602 10 10 EFCEMM CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000284691265 474724938 /nfs/dbraw/zinc/72/49/38/474724938.db2.gz HXUSISWAAAGZAC-HNNXBMFYSA-N -1 1 336.407 2.615 10 10 EFCEMM O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCCC1 ZINC000293901346 475058535 /nfs/dbraw/zinc/05/85/35/475058535.db2.gz LAWKIMNKVYQEFF-LLVKDONJSA-N -1 1 326.799 2.629 10 10 EFCEMM COc1ccc(CCCNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294972534 475095801 /nfs/dbraw/zinc/09/58/01/475095801.db2.gz XNPNYNKCVVUFCL-UHFFFAOYSA-N -1 1 349.358 2.617 10 10 EFCEMM CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000373587214 476416485 /nfs/dbraw/zinc/41/64/85/476416485.db2.gz WFLMQHTULHOZPY-UONOGXRCSA-N -1 1 327.808 2.588 10 10 EFCEMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736449 476424190 /nfs/dbraw/zinc/42/41/90/476424190.db2.gz BAPMLDJVCLDKMQ-KDDOJWQBSA-N -1 1 329.227 2.785 10 10 EFCEMM O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c(O)c3ccccc3c([O-])c21 ZINC000584636737 479197352 /nfs/dbraw/zinc/19/73/52/479197352.db2.gz YQBHYIYFJCZGDX-UHFFFAOYSA-N -1 1 335.271 2.935 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763488690 576379051 /nfs/dbraw/zinc/37/90/51/576379051.db2.gz CYURBNHKYKFROO-WLRWDXFRSA-N -1 1 346.290 2.806 10 10 EFCEMM CCOC(=O)[C@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000768537856 577281761 /nfs/dbraw/zinc/28/17/61/577281761.db2.gz XPDQXFVKNLGZDL-CYBMUJFWSA-N -1 1 342.233 2.991 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000842938441 1257066354 /nfs/dbraw/zinc/06/63/54/1257066354.db2.gz WPURXBLIAZOTMU-XPTSAGLGSA-N -1 1 325.792 2.791 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000842938441 1257066362 /nfs/dbraw/zinc/06/63/62/1257066362.db2.gz WPURXBLIAZOTMU-XPTSAGLGSA-N -1 1 325.792 2.791 10 10 EFCEMM Cc1ccc(N2CCCN(C(=O)c3c([O-])c(O)ccc3F)CC2)cc1 ZINC000825505082 1278573424 /nfs/dbraw/zinc/57/34/24/1278573424.db2.gz BINVYIMLFUHLGB-UHFFFAOYSA-N -1 1 344.386 2.898 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787405775 1275777778 /nfs/dbraw/zinc/77/77/78/1275777778.db2.gz IDAMLMGWIFKACZ-IAZYJMLFSA-N -1 1 325.206 2.752 10 10 EFCEMM COc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)c(O)c1 ZINC000794383260 1280164429 /nfs/dbraw/zinc/16/44/29/1280164429.db2.gz KNUSIMMGMSSEHK-UHFFFAOYSA-N -1 1 337.759 2.698 10 10 EFCEMM COc1ccc(COCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180409571 1289527490 /nfs/dbraw/zinc/52/74/90/1289527490.db2.gz CGYHHKOEJLSKQF-UHFFFAOYSA-N -1 1 335.787 2.887 10 10 EFCEMM COc1cc(OC)c(C(=O)NCc2cccc(Cl)c2[O-])cc1C=O ZINC001180420231 1289531107 /nfs/dbraw/zinc/53/11/07/1289531107.db2.gz IZQFYVXWBGJCEW-UHFFFAOYSA-N -1 1 349.770 2.805 10 10 EFCEMM O=S(=O)([N-]c1ccc(O)cc1)c1cc2c(cc1Cl)OCCO2 ZINC000776744389 1300577746 /nfs/dbraw/zinc/57/77/46/1300577746.db2.gz HNZPPEKOOQHUBN-UHFFFAOYSA-N -1 1 341.772 2.618 10 10 EFCEMM C[N@H+]1CCn2nc(NCc3cc(Cl)cc(Cl)c3O)cc2C1 ZINC000865844268 1303425590 /nfs/dbraw/zinc/42/55/90/1303425590.db2.gz HHXVAMNXZIYIIK-UHFFFAOYSA-N -1 1 327.215 2.953 10 10 EFCEMM C[C@@H](NCc1nn(C)cc1C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866564931 1303688736 /nfs/dbraw/zinc/68/87/36/1303688736.db2.gz FSHCGPSHHLFTAU-MRVPVSSYSA-N -1 1 326.303 2.822 10 10 EFCEMM CCN(C)c1ccc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000866629087 1303719770 /nfs/dbraw/zinc/71/97/70/1303719770.db2.gz VWTIMSHBTNVKLE-ZDUSSCGKSA-N -1 1 342.443 2.562 10 10 EFCEMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000868899606 1304524444 /nfs/dbraw/zinc/52/44/44/1304524444.db2.gz LKOFYNFDRIRDDR-PTRXPTGYSA-N -1 1 343.221 2.520 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(-c2ccccn2)nc1 ZINC001159041345 1311439597 /nfs/dbraw/zinc/43/95/97/1311439597.db2.gz JECHVADRXNPUIQ-UHFFFAOYSA-N -1 1 340.770 2.828 10 10 EFCEMM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305069290 1324671609 /nfs/dbraw/zinc/67/16/09/1324671609.db2.gz BMALPFYTZQEFJY-QFYYESIMSA-N -1 1 333.771 2.890 10 10 EFCEMM COC(=O)/C=C/c1ccc(C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001305083742 1324673036 /nfs/dbraw/zinc/67/30/36/1324673036.db2.gz BHVKPFGAWGWGAS-SOFGYWHQSA-N -1 1 335.743 2.755 10 10 EFCEMM COc1ccc(C[C@@H]2CCN2C(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001306694945 1324718378 /nfs/dbraw/zinc/71/83/78/1324718378.db2.gz BGRIISBUXHSCOG-LBPRGKRZSA-N -1 1 331.343 2.703 10 10 EFCEMM Nc1cc(F)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001467763611 1396894314 /nfs/dbraw/zinc/89/43/14/1396894314.db2.gz JXTMAZFJYZXHBM-UHFFFAOYSA-N -1 1 339.164 2.806 10 10 EFCEMM O=C(NCc1cc(O)ccc1O)c1ccc2ccc(O)cc2c1[O-] ZINC001471661904 1397194913 /nfs/dbraw/zinc/19/49/13/1397194913.db2.gz GTEIRBDIHVFNNP-UHFFFAOYSA-N -1 1 325.320 2.592 10 10 EFCEMM CC(=O)c1cccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001475774863 1397457756 /nfs/dbraw/zinc/45/77/56/1397457756.db2.gz SPNSZYVGXPNRPU-UHFFFAOYSA-N -1 1 339.800 2.727 10 10 EFCEMM CC(C)c1n[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001558757142 1415199357 /nfs/dbraw/zinc/19/93/57/1415199357.db2.gz QUPBURUBZJZLIR-UHFFFAOYSA-N -1 1 338.751 2.730 10 10 EFCEMM CC1CCN(c2ccc(CNC(=O)c3ccc([O-])cn3)cc2)CC1 ZINC001565664047 1415409370 /nfs/dbraw/zinc/40/93/70/1415409370.db2.gz UBFGEZJDACDWFX-UHFFFAOYSA-N -1 1 325.412 2.954 10 10 EFCEMM O=C(NCc1cc(Br)ccc1O)c1cc(F)ccc1[O-] ZINC000804737119 713455981 /nfs/dbraw/zinc/45/59/81/713455981.db2.gz INUNWCQFBBHHJC-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(N(C)C)cc3)cnc2n1 ZINC000915107427 726871465 /nfs/dbraw/zinc/87/14/65/726871465.db2.gz AVGSQRHCUMWJRL-UHFFFAOYSA-N -1 1 336.395 2.640 10 10 EFCEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(N(C)C)cc1)c2=O ZINC000915107427 726871471 /nfs/dbraw/zinc/87/14/71/726871471.db2.gz AVGSQRHCUMWJRL-UHFFFAOYSA-N -1 1 336.395 2.640 10 10 EFCEMM Cc1ccccc1SCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591274 727699108 /nfs/dbraw/zinc/69/91/08/727699108.db2.gz DMUPUKGHIULGEA-UHFFFAOYSA-N -1 1 332.377 2.924 10 10 EFCEMM O=C(C[C@H]1C(=O)Nc2c1cccc2F)NCc1cccc(Cl)c1[O-] ZINC001647830230 1089888343 /nfs/dbraw/zinc/88/83/43/1089888343.db2.gz OKJUEEAEBHGFJD-LLVKDONJSA-N -1 1 348.761 2.927 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2ccnc2)nc1 ZINC001647826990 1089888451 /nfs/dbraw/zinc/88/84/51/1089888451.db2.gz RLRMHJVDCNNWRD-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001648606675 1092238403 /nfs/dbraw/zinc/23/84/03/1092238403.db2.gz VOGOXFFTXYCLFY-OAHLLOKOSA-N -1 1 348.761 2.994 10 10 EFCEMM O=C(NCCNc1nc2ccccc2s1)c1c(F)ccc(O)c1[O-] ZINC001649395755 1092446023 /nfs/dbraw/zinc/44/60/23/1092446023.db2.gz GQOUCOPALSCRPM-UHFFFAOYSA-N -1 1 347.371 2.689 10 10 EFCEMM CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(=O)[nH]1 ZINC001651186081 1093537066 /nfs/dbraw/zinc/53/70/66/1093537066.db2.gz XQXAHBSRKSRJEW-UHFFFAOYSA-N -1 1 334.347 2.565 10 10 EFCEMM O=C(NCc1c(O)cccc1F)c1c([O-])cnc2c(F)cccc21 ZINC001596916332 1094552689 /nfs/dbraw/zinc/55/26/89/1094552689.db2.gz DWYHMBNGJJEXCA-UHFFFAOYSA-N -1 1 330.290 2.854 10 10 EFCEMM CC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1c(C)noc1C ZINC000783360264 1096960337 /nfs/dbraw/zinc/96/03/37/1096960337.db2.gz VDURJPYVVHASJZ-GFCCVEGCSA-N -1 1 333.340 2.622 10 10 EFCEMM O=C(COC(=O)c1c[nH]c2cc(F)ccc21)c1ccc([O-])c(O)c1 ZINC000783139347 1099052951 /nfs/dbraw/zinc/05/29/51/1099052951.db2.gz BAZDIYSYSGUCMO-UHFFFAOYSA-N -1 1 329.283 2.758 10 10 EFCEMM COc1ccc(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)cc1F ZINC001622579184 1099526913 /nfs/dbraw/zinc/52/69/13/1099526913.db2.gz RXCGBOAORXYUJG-UHFFFAOYSA-N -1 1 348.349 2.641 10 10 EFCEMM Nc1c(F)cccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001635839372 1100683062 /nfs/dbraw/zinc/68/30/62/1100683062.db2.gz BKSRNTZOMLAENQ-UHFFFAOYSA-N -1 1 339.164 2.806 10 10 EFCEMM Cn1c(CNC(=O)c2c(F)ccc(O)c2[O-])nc2cccc(Cl)c21 ZINC001641477845 1101139403 /nfs/dbraw/zinc/13/94/03/1101139403.db2.gz YKHNIIAJQRZAGT-UHFFFAOYSA-N -1 1 349.749 2.707 10 10 EFCEMM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1c(F)ccc(O)c1[O-] ZINC001641630439 1101152473 /nfs/dbraw/zinc/15/24/73/1101152473.db2.gz NOURVRRVZOGTOT-UHFFFAOYSA-N -1 1 335.722 2.697 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccccc2)CC1 ZINC001641926207 1101176528 /nfs/dbraw/zinc/17/65/28/1101176528.db2.gz NNPMPFBTKNKNEW-OAHLLOKOSA-N -1 1 331.343 2.841 10 10 EFCEMM O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCc1cccc(Cl)c1[O-] ZINC001653567388 1101632065 /nfs/dbraw/zinc/63/20/65/1101632065.db2.gz XCUFFSGGCANJQB-LBPRGKRZSA-N -1 1 348.761 2.927 10 10 EFCEMM COc1cc(C(=O)NCc2cccc(OC)c2O)cc(Cl)c1[O-] ZINC000785416861 1104905520 /nfs/dbraw/zinc/90/55/20/1104905520.db2.gz ZBUFUDXQZYLGBN-UHFFFAOYSA-N -1 1 337.759 2.698 10 10 EFCEMM CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000194938914 240187502 /nfs/dbraw/zinc/18/75/02/240187502.db2.gz DTUQJASYSDNDGA-LLVKDONJSA-N -1 1 336.823 2.874 10 10 EFCEMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c([O-])c(O)ccc1F ZINC000296289728 241081261 /nfs/dbraw/zinc/08/12/61/241081261.db2.gz LROVUPJXJPRGEM-VIFPVBQESA-N -1 1 335.379 2.988 10 10 EFCEMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000294941503 475093252 /nfs/dbraw/zinc/09/32/52/475093252.db2.gz LLJUJNHWDZRGCT-BONVTDFDSA-N -1 1 349.333 2.978 10 10 EFCEMM CC(C)COCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765758465 577073400 /nfs/dbraw/zinc/07/34/00/577073400.db2.gz XODCQZFECRJPON-UHFFFAOYSA-N -1 1 330.222 2.834 10 10 EFCEMM C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC000843040479 1258087262 /nfs/dbraw/zinc/08/72/62/1258087262.db2.gz ICJTVHOUDHSHQP-ONGXEEELSA-N -1 1 328.206 2.697 10 10 EFCEMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnccc1C(F)(F)F ZINC000785488351 1275098168 /nfs/dbraw/zinc/09/81/68/1275098168.db2.gz STKJAJRHDAIWBZ-UHFFFAOYSA-N -1 1 336.266 2.746 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C(=O)[O-] ZINC000818631633 1276542036 /nfs/dbraw/zinc/54/20/36/1276542036.db2.gz LTWINCHSTALUFI-BXKDBHETSA-N -1 1 328.206 2.840 10 10 EFCEMM COC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000789573256 1276820306 /nfs/dbraw/zinc/82/03/06/1276820306.db2.gz IKJHCKVFVIRDCW-GFCCVEGCSA-N -1 1 328.206 2.504 10 10 EFCEMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789946924 1277112836 /nfs/dbraw/zinc/11/28/36/1277112836.db2.gz ORQNVKWPQXMHNV-UHFFFAOYSA-N -1 1 341.342 2.695 10 10 EFCEMM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793366147 1279576485 /nfs/dbraw/zinc/57/64/85/1279576485.db2.gz QTTVEYCITRVZGS-MRXNPFEDSA-N -1 1 329.799 2.955 10 10 EFCEMM CCN(CC)c1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1F ZINC000806571244 1281098868 /nfs/dbraw/zinc/09/88/68/1281098868.db2.gz SCPCJYZEHPUNHY-ALCCZGGFSA-N -1 1 327.363 2.573 10 10 EFCEMM CC(C)(C)C[C@@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000813539053 1285988015 /nfs/dbraw/zinc/98/80/15/1285988015.db2.gz DVOFRSDXIDCJGU-NSHDSACASA-N -1 1 344.249 2.958 10 10 EFCEMM CC(C)(C)C[C@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000813539052 1285988294 /nfs/dbraw/zinc/98/82/94/1285988294.db2.gz DVOFRSDXIDCJGU-LLVKDONJSA-N -1 1 344.249 2.958 10 10 EFCEMM COc1cccc2c1[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2 ZINC000814533609 1286725057 /nfs/dbraw/zinc/72/50/57/1286725057.db2.gz BTVLWQPSUQTRNJ-ZDUSSCGKSA-N -1 1 342.347 2.562 10 10 EFCEMM O=c1[nH]c2nc(Cl)nc(NCc3cccc(Cl)c3[O-])c2[nH]1 ZINC001187862245 1291251692 /nfs/dbraw/zinc/25/16/92/1291251692.db2.gz RABQEVJBFLFESJ-UHFFFAOYSA-N -1 1 326.143 2.683 10 10 EFCEMM O=C([O-])[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000854247967 1300486581 /nfs/dbraw/zinc/48/65/81/1300486581.db2.gz LLEQBXGWSDMFCA-LBPRGKRZSA-N -1 1 328.206 2.745 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccnc1-n1cccn1 ZINC001159033425 1311437909 /nfs/dbraw/zinc/43/79/09/1311437909.db2.gz IJZPHYVTAJDGCI-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c([O-])c1 ZINC001162113774 1312050341 /nfs/dbraw/zinc/05/03/41/1312050341.db2.gz ITJZBSCDGITJRJ-AWEZNQCLSA-N -1 1 327.428 2.831 10 10 EFCEMM O=C(NCc1ccc2oc(=O)[nH]c2c1)NCc1cccc(Cl)c1[O-] ZINC001248467868 1314937089 /nfs/dbraw/zinc/93/70/89/1314937089.db2.gz WOECLWOECVRFOG-UHFFFAOYSA-N -1 1 347.758 2.892 10 10 EFCEMM COc1ccc(N2CCC(NC(=O)c3ccc(F)c([O-])c3)CC2)cc1 ZINC001292594431 1322092027 /nfs/dbraw/zinc/09/20/27/1322092027.db2.gz SQQBKQAANYGYJD-UHFFFAOYSA-N -1 1 344.386 2.939 10 10 EFCEMM Cc1cccc(-n2cc(C(=O)NCc3cccc(Cl)c3[O-])nn2)c1 ZINC001305069347 1324671581 /nfs/dbraw/zinc/67/15/81/1324671581.db2.gz FFWDFIIYDTVSHV-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001305069353 1324671597 /nfs/dbraw/zinc/67/15/97/1324671597.db2.gz FRKFXEABBYVFMG-UHFFFAOYSA-N -1 1 336.731 2.649 10 10 EFCEMM Cc1csc2nc(CC(=O)NCc3cccc(Cl)c3[O-])cn12 ZINC001305085451 1324672693 /nfs/dbraw/zinc/67/26/93/1324672693.db2.gz ZMNPQBCNCRMYRK-UHFFFAOYSA-N -1 1 335.816 2.922 10 10 EFCEMM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001305084994 1324672896 /nfs/dbraw/zinc/67/28/96/1324672896.db2.gz PSENPOVUMGFNEH-UHFFFAOYSA-N -1 1 337.734 2.901 10 10 EFCEMM O=C(NCc1cnccc1C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC001306879241 1324728813 /nfs/dbraw/zinc/72/88/13/1324728813.db2.gz NMYCCRCDZHLAMA-UHFFFAOYSA-N -1 1 330.237 2.581 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1[O-] ZINC001307878740 1324783206 /nfs/dbraw/zinc/78/32/06/1324783206.db2.gz XCQCRGJNPSWATC-OUAUKWLOSA-N -1 1 338.835 2.688 10 10 EFCEMM CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1c1ccc(F)cc1 ZINC001324417692 1329625234 /nfs/dbraw/zinc/62/52/34/1329625234.db2.gz OHFOUTYPBNFHNM-CJNGLKHVSA-N -1 1 348.349 2.551 10 10 EFCEMM CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1c1ccc(F)cc1 ZINC001324417691 1329625404 /nfs/dbraw/zinc/62/54/04/1329625404.db2.gz OHFOUTYPBNFHNM-BBRMVZONSA-N -1 1 348.349 2.551 10 10 EFCEMM O=C(COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([O-])c(O)c1 ZINC001327240786 1330445993 /nfs/dbraw/zinc/44/59/93/1330445993.db2.gz RGXRAIGRJBXVNB-MXWKQRLJSA-N -1 1 326.295 2.505 10 10 EFCEMM O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001469161239 1397006431 /nfs/dbraw/zinc/00/64/31/1397006431.db2.gz ILAICPYXDLXQJS-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2cnnc2)cc1 ZINC001558757180 1415199337 /nfs/dbraw/zinc/19/93/37/1415199337.db2.gz SLIJHZNCUFPIBT-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM C[C@H]1Oc2c(cccc2C(=O)NCc2cccc(Cl)c2[O-])NC1=O ZINC001558756756 1415199347 /nfs/dbraw/zinc/19/93/47/1415199347.db2.gz ADZVLLRKVVPCPH-SECBINFHSA-N -1 1 346.770 2.695 10 10 EFCEMM CC(C)C(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccn1 ZINC001558757127 1415199572 /nfs/dbraw/zinc/19/95/72/1415199572.db2.gz QFEJBZDWIMDAKY-UHFFFAOYSA-N -1 1 347.802 2.965 10 10 EFCEMM COC(=O)c1ccc(/C=C/C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001558757985 1415199783 /nfs/dbraw/zinc/19/97/83/1415199783.db2.gz ZGPITYLNDLBASL-SOFGYWHQSA-N -1 1 335.743 2.755 10 10 EFCEMM Cc1n[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1Br ZINC001558756894 1415199880 /nfs/dbraw/zinc/19/98/80/1415199880.db2.gz GRWPNNJDEQLWDO-UHFFFAOYSA-N -1 1 344.596 2.770 10 10 EFCEMM O=C(NCCN1CCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001683968825 1416690193 /nfs/dbraw/zinc/69/01/93/1416690193.db2.gz STQMRCJZECZEHC-UHFFFAOYSA-N -1 1 345.830 2.908 10 10 EFCEMM CN(Cc1ccccc1O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001684338141 1416718171 /nfs/dbraw/zinc/71/81/71/1416718171.db2.gz STAKCTAJJPHKKN-UHFFFAOYSA-N -1 1 336.338 2.760 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCO[C@H]1C1CC1 ZINC000907759444 727009532 /nfs/dbraw/zinc/00/95/32/727009532.db2.gz YANKFRJCUGGLBB-RISCZKNCSA-N -1 1 340.217 2.586 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC001647830095 1089887758 /nfs/dbraw/zinc/88/77/58/1089887758.db2.gz IHHZZKAMUZYGDN-UHFFFAOYSA-N -1 1 345.786 2.719 10 10 EFCEMM O=C(C[C@@H]1C(=O)Nc2c1cccc2F)NCc1cccc(Cl)c1[O-] ZINC001647830231 1089890027 /nfs/dbraw/zinc/89/00/27/1089890027.db2.gz OKJUEEAEBHGFJD-NSHDSACASA-N -1 1 348.761 2.927 10 10 EFCEMM O=C(NCc1ccc(OC(F)F)cc1)c1c(F)ccc(O)c1[O-] ZINC001648412159 1092213403 /nfs/dbraw/zinc/21/34/03/1092213403.db2.gz AHJAWKOYDWDJBO-UHFFFAOYSA-N -1 1 327.258 2.768 10 10 EFCEMM O=C(NCc1ncc(-c2ccccc2)o1)c1c(F)ccc(O)c1[O-] ZINC001650770493 1093492389 /nfs/dbraw/zinc/49/23/89/1093492389.db2.gz OOOXFATXRHFKTF-UHFFFAOYSA-N -1 1 328.299 2.822 10 10 EFCEMM Cc1cccc2[nH]cc(CCNC(=O)c3c(F)ccc(O)c3[O-])c21 ZINC001610373652 1098645920 /nfs/dbraw/zinc/64/59/20/1098645920.db2.gz PLVWFGRDCMXRQR-UHFFFAOYSA-N -1 1 328.343 2.999 10 10 EFCEMM O=C(NCc1c(F)c(F)cc(F)c1F)c1c([O-])c(O)ccc1F ZINC001610992411 1098968574 /nfs/dbraw/zinc/96/85/74/1098968574.db2.gz SSGOJBODHUMIHR-UHFFFAOYSA-N -1 1 333.212 2.723 10 10 EFCEMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611090733 1098979041 /nfs/dbraw/zinc/97/90/41/1098979041.db2.gz WIRFJJXXLKPNOZ-JDNHERCYSA-N -1 1 337.322 2.882 10 10 EFCEMM O=C(NCc1c(F)cc(F)c(F)c1F)c1c([O-])c(O)ccc1F ZINC001611244722 1098995127 /nfs/dbraw/zinc/99/51/27/1098995127.db2.gz MKDCKWHRGUSTEM-UHFFFAOYSA-N -1 1 333.212 2.723 10 10 EFCEMM O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001633599391 1100553456 /nfs/dbraw/zinc/55/34/56/1100553456.db2.gz ZISPKHKXMFNOGF-UHFFFAOYSA-N -1 1 327.258 2.752 10 10 EFCEMM Nc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000050352779 1100700953 /nfs/dbraw/zinc/70/09/53/1100700953.db2.gz BSUNHIPBYOBBEH-UHFFFAOYSA-N -1 1 340.817 2.728 10 10 EFCEMM COC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001637226983 1100766116 /nfs/dbraw/zinc/76/61/16/1100766116.db2.gz HYPMAKKHSCUUPS-UHFFFAOYSA-N -1 1 333.771 2.691 10 10 EFCEMM Nc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccccc1 ZINC001637232579 1100766229 /nfs/dbraw/zinc/76/62/29/1100766229.db2.gz UHLFIKWCULYEJE-UHFFFAOYSA-N -1 1 342.786 2.744 10 10 EFCEMM CCCCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC001638428605 1100859851 /nfs/dbraw/zinc/85/98/51/1100859851.db2.gz BELGTGCXQZNMRJ-STQMWFEESA-N -1 1 325.380 2.951 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC001640083779 1101012602 /nfs/dbraw/zinc/01/26/02/1101012602.db2.gz GVESVJPCXYOKRO-SNVBAGLBSA-N -1 1 335.201 2.970 10 10 EFCEMM Cc1nn(C)c2nc(C)c(C(=O)NCc3cccc(Cl)c3[O-])cc12 ZINC001640402323 1101043426 /nfs/dbraw/zinc/04/34/26/1101043426.db2.gz PURVRIUKSFCFLC-UHFFFAOYSA-N -1 1 344.802 2.874 10 10 EFCEMM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001640404802 1101043713 /nfs/dbraw/zinc/04/37/13/1101043713.db2.gz HEPAUZDQLFGRNR-UHFFFAOYSA-N -1 1 339.710 2.605 10 10 EFCEMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c([O-])c(O)ccc1F ZINC001641386500 1101130715 /nfs/dbraw/zinc/13/07/15/1101130715.db2.gz RPKNPLKJGVXQMT-UHFFFAOYSA-N -1 1 340.694 2.729 10 10 EFCEMM C[C@]1(C(=O)NCc2cccc(Cl)c2[O-])Cc2ccccc2C(=O)O1 ZINC001653563635 1101630103 /nfs/dbraw/zinc/63/01/03/1101630103.db2.gz GSORDOLXOKJQEK-GOSISDBHSA-N -1 1 345.782 2.834 10 10 EFCEMM COc1c(C(=O)NCc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001653567116 1101632098 /nfs/dbraw/zinc/63/20/98/1101632098.db2.gz LDGJUACBKOBZCI-UHFFFAOYSA-N -1 1 336.731 2.892 10 10 EFCEMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001653566915 1101632456 /nfs/dbraw/zinc/63/24/56/1101632456.db2.gz FWOAPKOZTMOQCS-UHFFFAOYSA-N -1 1 338.722 2.952 10 10 EFCEMM C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001653567251 1101633056 /nfs/dbraw/zinc/63/30/56/1101633056.db2.gz QWSWHDYXJKPRQJ-NSHDSACASA-N -1 1 335.787 2.622 10 10 EFCEMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001679448679 1107576816 /nfs/dbraw/zinc/57/68/16/1107576816.db2.gz WXCVTRVCHMYUGF-QCZZGDTMSA-N -1 1 326.824 2.904 10 10 EFCEMM COC(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000123184154 473108735 /nfs/dbraw/zinc/10/87/35/473108735.db2.gz AFGDYAPESDGLIB-SNVBAGLBSA-N -1 1 328.206 2.540 10 10 EFCEMM CC1(C)SC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000283587783 474443036 /nfs/dbraw/zinc/44/30/36/474443036.db2.gz LKPAUHOILSXCEG-SNVBAGLBSA-N -1 1 345.262 2.848 10 10 EFCEMM O=c1[nH]ccc2c1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000277076652 474577129 /nfs/dbraw/zinc/57/71/29/474577129.db2.gz RVEUOVHYKHZTAX-UHFFFAOYSA-N -1 1 335.747 2.613 10 10 EFCEMM C[NH+]1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000293101461 474813334 /nfs/dbraw/zinc/81/33/34/474813334.db2.gz ZIPZBQQIDAQSET-UHFFFAOYSA-N -1 1 341.249 2.503 10 10 EFCEMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736452 476423469 /nfs/dbraw/zinc/42/34/69/476423469.db2.gz BAPMLDJVCLDKMQ-WLTAIBSBSA-N -1 1 329.227 2.785 10 10 EFCEMM C[C@@H](NCc1cn(C)nn1)c1cc(Br)cc(Cl)c1[O-] ZINC000757655231 575847821 /nfs/dbraw/zinc/84/78/21/575847821.db2.gz IUDWRIBEIWKCTL-SSDOTTSWSA-N -1 1 345.628 2.787 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)C[C@H](C)C2)c1 ZINC000763646704 576383769 /nfs/dbraw/zinc/38/37/69/576383769.db2.gz AFDSTXWCDCSBAC-WYRIXSBYSA-N -1 1 346.290 2.664 10 10 EFCEMM CC(C)(C)OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764767502 576500792 /nfs/dbraw/zinc/50/07/92/576500792.db2.gz BWCCAHBYVYQBJA-UHFFFAOYSA-N -1 1 345.237 2.769 10 10 EFCEMM COCc1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765751251 577072569 /nfs/dbraw/zinc/07/25/69/577072569.db2.gz CHOCRBOUOOZIFX-UHFFFAOYSA-N -1 1 340.173 2.824 10 10 EFCEMM CCn1nc(C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753784 577072910 /nfs/dbraw/zinc/07/29/10/577072910.db2.gz QFCTXFICHSDVFU-UHFFFAOYSA-N -1 1 338.205 2.610 10 10 EFCEMM O=C(Cc1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765756180 577073248 /nfs/dbraw/zinc/07/32/48/577073248.db2.gz KXZWRUVZDIEZSH-UHFFFAOYSA-N -1 1 336.185 2.719 10 10 EFCEMM O=C(/C=C\c1cncc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765767467 577074499 /nfs/dbraw/zinc/07/44/99/577074499.db2.gz ZWPWWDLUORDQEI-PLNGDYQASA-N -1 1 349.184 2.585 10 10 EFCEMM CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])C1CC1 ZINC001116755411 1261390606 /nfs/dbraw/zinc/39/06/06/1261390606.db2.gz HMFWCACLFGNXJT-ZDUSSCGKSA-N -1 1 342.233 2.894 10 10 EFCEMM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742434410 1270061796 /nfs/dbraw/zinc/06/17/96/1270061796.db2.gz IGLQWONZNDMHMM-WJDWOHSUSA-N -1 1 330.347 2.538 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C(=O)[O-] ZINC000818631104 1276541978 /nfs/dbraw/zinc/54/19/78/1276541978.db2.gz CFBRTAUUAXGDPE-UFBFGSQYSA-N -1 1 328.752 2.639 10 10 EFCEMM NC(=O)CN1CCc2ccc(NCc3cccc(Cl)c3[O-])cc2C1 ZINC000789768447 1276973106 /nfs/dbraw/zinc/97/31/06/1276973106.db2.gz HKXAGTZEHKDLSQ-UHFFFAOYSA-N -1 1 345.830 2.501 10 10 EFCEMM COc1ccccc1-c1ncc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000792857823 1279197446 /nfs/dbraw/zinc/19/74/46/1279197446.db2.gz GBMVXVQSTOPXSD-WUXMJOGZSA-N -1 1 329.406 2.641 10 10 EFCEMM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@]2(CCOC2)O1 ZINC000793366144 1279577049 /nfs/dbraw/zinc/57/70/49/1279577049.db2.gz QTTVEYCITRVZGS-INIZCTEOSA-N -1 1 329.799 2.955 10 10 EFCEMM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1c(F)ccc(O)c1[O-] ZINC000846655623 1280370785 /nfs/dbraw/zinc/37/07/85/1280370785.db2.gz REEPFMUMWHOLJF-HAQNSBGRSA-N -1 1 345.374 2.785 10 10 EFCEMM COc1cc(F)ccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753020521 1288976082 /nfs/dbraw/zinc/97/60/82/1288976082.db2.gz SFEHNWLSEGWEDE-UHFFFAOYSA-N -1 1 333.287 2.619 10 10 EFCEMM O=C(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000803736421 1313074956 /nfs/dbraw/zinc/07/49/56/1313074956.db2.gz KGXGOBRLLSYKOQ-VHSXEESVSA-N -1 1 332.274 2.802 10 10 EFCEMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000852582292 1299770753 /nfs/dbraw/zinc/77/07/53/1299770753.db2.gz SPNCYPJFUJLSOO-LBPRGKRZSA-N -1 1 349.175 2.999 10 10 EFCEMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC000854473616 1300581938 /nfs/dbraw/zinc/58/19/38/1300581938.db2.gz BWYWKAOANJIQPK-MRVPVSSYSA-N -1 1 340.210 2.843 10 10 EFCEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1 ZINC000776748337 1300612203 /nfs/dbraw/zinc/61/22/03/1300612203.db2.gz BQVKDIZNYBPTSE-UHFFFAOYSA-N -1 1 335.381 2.596 10 10 EFCEMM COc1ccc(N2CC[C@@H](NC(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000855226929 1300849162 /nfs/dbraw/zinc/84/91/62/1300849162.db2.gz UVOBSDJHHJKDBU-LLVKDONJSA-N -1 1 348.349 2.688 10 10 EFCEMM C[C@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864508979 1302954525 /nfs/dbraw/zinc/95/45/25/1302954525.db2.gz GQTHGMLPLMGOGU-JSGCOSHPSA-N -1 1 328.206 2.888 10 10 EFCEMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000867830535 1303975124 /nfs/dbraw/zinc/97/51/24/1303975124.db2.gz BHVYIKVJGOKXRA-YWVKMMECSA-N -1 1 328.206 2.584 10 10 EFCEMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000867830533 1303975877 /nfs/dbraw/zinc/97/58/77/1303975877.db2.gz BHVYIKVJGOKXRA-WCABBAIRSA-N -1 1 328.206 2.584 10 10 EFCEMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000868899604 1304524240 /nfs/dbraw/zinc/52/42/40/1304524240.db2.gz LKOFYNFDRIRDDR-KBVBSXBZSA-N -1 1 343.221 2.520 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(N2CCNC2=O)cc1 ZINC001159033192 1311437738 /nfs/dbraw/zinc/43/77/38/1311437738.db2.gz DPCMLAVWVIQZKY-UHFFFAOYSA-N -1 1 345.786 2.505 10 10 EFCEMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])c2ccccc2n1 ZINC001160879142 1311801951 /nfs/dbraw/zinc/80/19/51/1311801951.db2.gz MBJFTUGULAFTGZ-UHFFFAOYSA-N -1 1 342.326 2.724 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C(F)F)C2)c1 ZINC000802654617 1311887938 /nfs/dbraw/zinc/88/79/38/1311887938.db2.gz YIAILYSGJMTJJT-LLVKDONJSA-N -1 1 336.176 2.929 10 10 EFCEMM CC[C@@H]1OCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000803213772 1312374346 /nfs/dbraw/zinc/37/43/46/1312374346.db2.gz ITHBCTWAJAIAMH-PWSUYJOCSA-N -1 1 328.206 2.586 10 10 EFCEMM CCc1nc(C(=O)NCc2cccc(Br)c2[O-])c(C)o1 ZINC000803213378 1312375857 /nfs/dbraw/zinc/37/58/57/1312375857.db2.gz RVYIIXUPGCZJRV-UHFFFAOYSA-N -1 1 339.189 2.944 10 10 EFCEMM O=Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC001297439401 1323217093 /nfs/dbraw/zinc/21/70/93/1323217093.db2.gz HBRUPXJJLKNYJA-UHFFFAOYSA-N -1 1 340.198 2.959 10 10 EFCEMM CC(=O)c1cccc(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001305069762 1324671993 /nfs/dbraw/zinc/67/19/93/1324671993.db2.gz NUJKJVADYGENRZ-UHFFFAOYSA-N -1 1 333.771 2.943 10 10 EFCEMM O=C([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000901756139 1324755827 /nfs/dbraw/zinc/75/58/27/1324755827.db2.gz UWEUYUFSOCAMCI-UHFFFAOYSA-N -1 1 344.386 2.650 10 10 EFCEMM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001346560914 1332656659 /nfs/dbraw/zinc/65/66/59/1332656659.db2.gz GIYZXRVVIJBUMX-GXFFZTMASA-N -1 1 340.807 2.577 10 10 EFCEMM O=C(COCCOc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001457035649 1394933883 /nfs/dbraw/zinc/93/38/83/1394933883.db2.gz CXCOQMKLHZKOSA-UHFFFAOYSA-N -1 1 335.787 2.757 10 10 EFCEMM O=C(NCc1cccc(OC2CC2)c1F)c1c(F)ccc(O)c1[O-] ZINC001457921515 1395385924 /nfs/dbraw/zinc/38/59/24/1395385924.db2.gz BQHVWCIVCQCDDX-UHFFFAOYSA-N -1 1 335.306 2.847 10 10 EFCEMM O=C([N-]c1c2nonc2ccc1Cl)c1cc(C(F)F)ncn1 ZINC001459788313 1395983719 /nfs/dbraw/zinc/98/37/19/1395983719.db2.gz MSHPMSXJMDHQHO-UHFFFAOYSA-N -1 1 325.662 2.856 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cn(Cc2cccs2)nn1 ZINC001558756912 1415199841 /nfs/dbraw/zinc/19/98/41/1415199841.db2.gz HOYBTAVWXVJNGS-UHFFFAOYSA-N -1 1 348.815 2.677 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000781908669 716422797 /nfs/dbraw/zinc/42/27/97/716422797.db2.gz KUBKPSBZADFKSS-QQKBFRNYSA-N -1 1 346.290 2.804 10 10 EFCEMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@@H]1SC ZINC000895512144 724175183 /nfs/dbraw/zinc/17/51/83/724175183.db2.gz FRMMFBIWJYGQAZ-BZPMIXESSA-N -1 1 344.864 2.754 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000907758692 727009651 /nfs/dbraw/zinc/00/96/51/727009651.db2.gz SGPIRXKHHGEBFG-CABZTGNLSA-N -1 1 328.206 2.586 10 10 EFCEMM COc1cccc(C2=CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c1 ZINC001648676880 1092251333 /nfs/dbraw/zinc/25/13/33/1092251333.db2.gz SHZOJUREVDWNDG-UHFFFAOYSA-N -1 1 329.327 2.785 10 10 EFCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(-c2cccnc2)n1 ZINC001606860736 1097463635 /nfs/dbraw/zinc/46/36/35/1097463635.db2.gz RCKHSTOYZYFXRH-UHFFFAOYSA-N -1 1 342.786 2.771 10 10 EFCEMM O=C(NCc1ccc(OC(F)F)c(F)c1)c1c(F)ccc(O)c1[O-] ZINC001611369464 1099004883 /nfs/dbraw/zinc/00/48/83/1099004883.db2.gz SRJRGPFVQPECDO-UHFFFAOYSA-N -1 1 345.248 2.907 10 10 EFCEMM O=C(NCCc1cccc(C(F)(F)F)n1)c1c(F)ccc(O)c1[O-] ZINC001611369170 1099005497 /nfs/dbraw/zinc/00/54/97/1099005497.db2.gz FIDNOTXTSRMHCY-UHFFFAOYSA-N -1 1 344.264 2.623 10 10 EFCEMM C[C@@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611667293 1099029662 /nfs/dbraw/zinc/02/96/62/1099029662.db2.gz WTUZKDQTNYDFHG-NSHDSACASA-N -1 1 325.380 2.952 10 10 EFCEMM CNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001613056764 1099089276 /nfs/dbraw/zinc/08/92/76/1099089276.db2.gz LDRLKTGDNQNNFS-UHFFFAOYSA-N -1 1 335.747 2.926 10 10 EFCEMM Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000036743219 1099566484 /nfs/dbraw/zinc/56/64/84/1099566484.db2.gz NLUPCIXJEUMDCA-UHFFFAOYSA-N -1 1 340.817 2.728 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]ccc2n1 ZINC001626822189 1099923124 /nfs/dbraw/zinc/92/31/24/1099923124.db2.gz LRVCAZKOQWQWGY-UHFFFAOYSA-N -1 1 346.184 2.961 10 10 EFCEMM Cc1cc(CNC(=O)c2cnncc2[O-])c(C)n1-c1cccc(C)c1 ZINC001631794555 1100428649 /nfs/dbraw/zinc/42/86/49/1100428649.db2.gz UPIRZTMEYVMIEA-UHFFFAOYSA-N -1 1 336.395 2.828 10 10 EFCEMM COc1ccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c(O)c1 ZINC001633927007 1100574794 /nfs/dbraw/zinc/57/47/94/1100574794.db2.gz OBBABAXNJRQRMS-UHFFFAOYSA-N -1 1 339.347 2.895 10 10 EFCEMM Cc1oc(C=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001634724748 1100626291 /nfs/dbraw/zinc/62/62/91/1100626291.db2.gz IJZCFJMVWWCXBP-UHFFFAOYSA-N -1 1 338.157 2.799 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1Cn1ccnn1 ZINC001637226948 1100766553 /nfs/dbraw/zinc/76/65/53/1100766553.db2.gz GJUWNXDQXRTRIE-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM CCOc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OC ZINC001638339415 1100850039 /nfs/dbraw/zinc/85/00/39/1100850039.db2.gz YMSGNNCAZZXQBY-UHFFFAOYSA-N -1 1 335.331 2.574 10 10 EFCEMM O=C(NCCc1ccc(F)c(F)c1F)c1c([O-])c(O)ccc1F ZINC001638515603 1100865281 /nfs/dbraw/zinc/86/52/81/1100865281.db2.gz UXUOEVONPLOVJL-UHFFFAOYSA-N -1 1 329.249 2.627 10 10 EFCEMM O=C(NCCOc1ccc(Cl)c(F)c1)c1c(F)ccc(O)c1[O-] ZINC001641563626 1101146121 /nfs/dbraw/zinc/14/61/21/1101146121.db2.gz JMCBJGFSFXHTAA-UHFFFAOYSA-N -1 1 343.713 2.838 10 10 EFCEMM O=C(NCc1ccccc1Br)c1c([O-])c(O)ccc1F ZINC001654200316 1101691837 /nfs/dbraw/zinc/69/18/37/1101691837.db2.gz AOOPZRVIFJHGCJ-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM COc1cc(Br)ccc1C=C1SC(=S)[N-]C1=O ZINC000588419666 1102191656 /nfs/dbraw/zinc/19/16/56/1102191656.db2.gz GNFMYGSUIMKFFD-RUDMXATFSA-N -1 1 330.228 2.947 10 10 EFCEMM CC1(C)CO[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000897576459 1105766934 /nfs/dbraw/zinc/76/69/34/1105766934.db2.gz IVUPABSDYPQCAG-LLVKDONJSA-N -1 1 342.233 2.976 10 10 EFCEMM O=C(CSc1ccccc1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000021024501 212200569 /nfs/dbraw/zinc/20/05/69/212200569.db2.gz IEHLLAOWDQUSNB-UHFFFAOYSA-N -1 1 325.393 2.645 10 10 EFCEMM CC1(C)CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000279300987 474969404 /nfs/dbraw/zinc/96/94/04/474969404.db2.gz LOXRSUJTWMULSC-NSHDSACASA-N -1 1 328.206 2.729 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@]3(CCCOC3)C2)c1[O-] ZINC000285393895 475003661 /nfs/dbraw/zinc/00/36/61/475003661.db2.gz SQBQSVUFJMXDPQ-KRWDZBQOSA-N -1 1 339.819 2.630 10 10 EFCEMM CO[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000295230944 475112925 /nfs/dbraw/zinc/11/29/25/475112925.db2.gz CXBROFLGDWEWGE-DGCLKSJQSA-N -1 1 342.233 2.976 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763488692 576378941 /nfs/dbraw/zinc/37/89/41/576378941.db2.gz CYURBNHKYKFROO-WYRIXSBYSA-N -1 1 346.290 2.806 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000763646698 576383831 /nfs/dbraw/zinc/38/38/31/576383831.db2.gz AFDSTXWCDCSBAC-JEOXALJRSA-N -1 1 346.290 2.664 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])C1CCC(=O)CC1 ZINC000765728658 577070865 /nfs/dbraw/zinc/07/08/65/577070865.db2.gz JAACDEPRPMZXDV-UHFFFAOYSA-N -1 1 326.190 2.530 10 10 EFCEMM O=C(/C=C/c1cncc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765767472 577074261 /nfs/dbraw/zinc/07/42/61/577074261.db2.gz ZWPWWDLUORDQEI-SNAWJCMRSA-N -1 1 349.184 2.585 10 10 EFCEMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)cc1 ZINC000769676953 577378128 /nfs/dbraw/zinc/37/81/28/577378128.db2.gz CPWJUNPBSBDRRT-UHFFFAOYSA-N -1 1 348.424 2.739 10 10 EFCEMM C[C@@H]1CCOCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650949 581496467 /nfs/dbraw/zinc/49/64/67/581496467.db2.gz SRKQLGHXBDLQSY-CQSZACIVSA-N -1 1 341.407 2.940 10 10 EFCEMM C[C@@H]1CCOCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650949 581496468 /nfs/dbraw/zinc/49/64/68/581496468.db2.gz SRKQLGHXBDLQSY-CQSZACIVSA-N -1 1 341.407 2.940 10 10 EFCEMM Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124756 1278419333 /nfs/dbraw/zinc/41/93/33/1278419333.db2.gz XJYJZLMNMPKLLG-KRTXAFLBSA-N -1 1 327.705 2.930 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792192801 1278634825 /nfs/dbraw/zinc/63/48/25/1278634825.db2.gz QNMRPGOAKOHJHW-QEAOQQLJSA-N -1 1 346.290 2.804 10 10 EFCEMM O=C(COC(=O)c1coc(C2CCCC2)n1)c1ccc([O-])c(O)c1 ZINC000786655878 1275464098 /nfs/dbraw/zinc/46/40/98/1275464098.db2.gz RSRWVZWMFXJVKB-UHFFFAOYSA-N -1 1 331.324 2.783 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C(=O)[O-] ZINC000818631103 1276541254 /nfs/dbraw/zinc/54/12/54/1276541254.db2.gz CFBRTAUUAXGDPE-QPUJVOFHSA-N -1 1 328.752 2.639 10 10 EFCEMM C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631675 1276541838 /nfs/dbraw/zinc/54/18/38/1276541838.db2.gz MPEVWRJUQVYKSP-RNCFNFMXSA-N -1 1 328.206 2.840 10 10 EFCEMM C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631675 1276541848 /nfs/dbraw/zinc/54/18/48/1276541848.db2.gz MPEVWRJUQVYKSP-RNCFNFMXSA-N -1 1 328.206 2.840 10 10 EFCEMM O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccc([O-])c(O)c1 ZINC000792808713 1279177845 /nfs/dbraw/zinc/17/78/45/1279177845.db2.gz UWLUKVQHMPTCBX-UHFFFAOYSA-N -1 1 346.726 2.667 10 10 EFCEMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1c1cccs1)cc2=O ZINC000846229980 1280077369 /nfs/dbraw/zinc/07/73/69/1280077369.db2.gz CCJPMWYFWNYSRU-LBPRGKRZSA-N -1 1 344.396 2.532 10 10 EFCEMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000812298954 1285062296 /nfs/dbraw/zinc/06/22/96/1285062296.db2.gz XHLHRIFNGVUBCB-HNNXBMFYSA-N -1 1 341.407 2.940 10 10 EFCEMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000812298954 1285062305 /nfs/dbraw/zinc/06/23/05/1285062305.db2.gz XHLHRIFNGVUBCB-HNNXBMFYSA-N -1 1 341.407 2.940 10 10 EFCEMM CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC000817240912 1288483370 /nfs/dbraw/zinc/48/33/70/1288483370.db2.gz LADQQGTTXRLRPD-UHFFFAOYSA-N -1 1 329.352 2.830 10 10 EFCEMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001135945994 1288657202 /nfs/dbraw/zinc/65/72/02/1288657202.db2.gz ADMLPHCPCNFLPK-UHFFFAOYSA-N -1 1 344.386 2.640 10 10 EFCEMM O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000803736419 1313075212 /nfs/dbraw/zinc/07/52/12/1313075212.db2.gz KGXGOBRLLSYKOQ-NXEZZACHSA-N -1 1 332.274 2.802 10 10 EFCEMM COc1c2ccccc2[nH]c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803815407 1313192541 /nfs/dbraw/zinc/19/25/41/1313192541.db2.gz JUHLBDIYSXYCGU-UHFFFAOYSA-N -1 1 341.319 2.627 10 10 EFCEMM COc1ccc(N2CC[C@H](NC(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000855224102 1300846954 /nfs/dbraw/zinc/84/69/54/1300846954.db2.gz DDZRGBUCJDBLKY-ZDUSSCGKSA-N -1 1 330.359 2.549 10 10 EFCEMM COc1ccc(N2CC[C@H](NC(=O)c3c([O-])cccc3F)C2)cc1 ZINC000855224542 1300847827 /nfs/dbraw/zinc/84/78/27/1300847827.db2.gz FUXNEEXHVMNZMN-LBPRGKRZSA-N -1 1 330.359 2.549 10 10 EFCEMM CCO[C@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CC1 ZINC000863411262 1302603927 /nfs/dbraw/zinc/60/39/27/1302603927.db2.gz VVZJERIYQNYTKZ-CYBMUJFWSA-N -1 1 337.800 2.742 10 10 EFCEMM O=Cc1ccc(OCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159033936 1311438338 /nfs/dbraw/zinc/43/83/38/1311438338.db2.gz OLGMXGKUXYOTNA-UHFFFAOYSA-N -1 1 333.771 2.943 10 10 EFCEMM O=C(CCc1nc(-c2ccco2)no1)NCc1cccc(Cl)c1[O-] ZINC001159033634 1311438362 /nfs/dbraw/zinc/43/83/62/1311438362.db2.gz LKICGHWWCFGRLS-UHFFFAOYSA-N -1 1 347.758 2.938 10 10 EFCEMM COc1c([O-])c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955527 1316256312 /nfs/dbraw/zinc/25/63/12/1316256312.db2.gz JBYCFXVIHORKSO-RFAUZJTJSA-N -1 1 346.330 2.554 10 10 EFCEMM CCOC(=O)CCCCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC001306673229 1324718111 /nfs/dbraw/zinc/71/81/11/1324718111.db2.gz SFJVKCSHTNIIFG-UHFFFAOYSA-N -1 1 341.379 2.870 10 10 EFCEMM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1F ZINC001333135734 1331083110 /nfs/dbraw/zinc/08/31/10/1331083110.db2.gz CBYKWXJIJYPIOQ-NEPJUHHUSA-N -1 1 348.340 2.977 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2cccnc2C1 ZINC001346912691 1332702711 /nfs/dbraw/zinc/70/27/11/1332702711.db2.gz HOCUWMDCCHTEDK-LBPRGKRZSA-N -1 1 347.212 2.581 10 10 EFCEMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1 ZINC000848617934 1334813814 /nfs/dbraw/zinc/81/38/14/1334813814.db2.gz GCTFCCMAWOIJHW-MVWJERBFSA-N -1 1 349.412 2.717 10 10 EFCEMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([O-])cn1 ZINC001468656049 1396977094 /nfs/dbraw/zinc/97/70/94/1396977094.db2.gz BNXQGQKYJPQRPZ-UHFFFAOYSA-N -1 1 331.335 2.749 10 10 EFCEMM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001558757173 1415199905 /nfs/dbraw/zinc/19/99/05/1415199905.db2.gz SBWNKUKFZSUYCC-UHFFFAOYSA-N -1 1 335.747 2.926 10 10 EFCEMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2ccccc2c1[O-] ZINC001567467562 1416149970 /nfs/dbraw/zinc/14/99/70/1416149970.db2.gz MATOHRPCRJBMIW-NSHDSACASA-N -1 1 338.363 2.713 10 10 EFCEMM O=C(NCCc1c(F)cc([O-])cc1F)NCc1c(O)cccc1F ZINC001684342465 1416718329 /nfs/dbraw/zinc/71/83/29/1416718329.db2.gz OCZDHQNXZINECO-UHFFFAOYSA-N -1 1 340.301 2.557 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2cccn2)nc1 ZINC001647826608 1089887310 /nfs/dbraw/zinc/88/73/10/1089887310.db2.gz BLBGPFVYOULHMQ-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c2cnn(C)c2n1 ZINC001647830043 1089887810 /nfs/dbraw/zinc/88/78/10/1089887810.db2.gz GDBIHYLUBFJHFJ-UHFFFAOYSA-N -1 1 330.775 2.566 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-n2cc[nH]c2=O)cc1 ZINC001648608303 1092237552 /nfs/dbraw/zinc/23/75/52/1092237552.db2.gz BJMRTNSQTINBMK-UHFFFAOYSA-N -1 1 343.770 2.867 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccnn1CC(F)(F)F ZINC001648605844 1092239053 /nfs/dbraw/zinc/23/90/53/1092239053.db2.gz ATKIRAWWGRUCCH-UHFFFAOYSA-N -1 1 333.697 2.734 10 10 EFCEMM Cn1nc(CC(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001606867762 1097464220 /nfs/dbraw/zinc/46/42/20/1097464220.db2.gz CSZVKGKTXKGAMK-UHFFFAOYSA-N -1 1 329.787 2.791 10 10 EFCEMM Cc1cnc(F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001623364970 1099580187 /nfs/dbraw/zinc/58/01/87/1099580187.db2.gz VTJZKVMEBPJAIW-UHFFFAOYSA-N -1 1 339.164 2.927 10 10 EFCEMM Nc1ncnc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc12 ZINC001637227097 1100766099 /nfs/dbraw/zinc/76/60/99/1100766099.db2.gz NEIOWPQSOXBQMT-UHFFFAOYSA-N -1 1 328.759 2.501 10 10 EFCEMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c([O-])c(O)ccc1F ZINC001638417441 1100858374 /nfs/dbraw/zinc/85/83/74/1100858374.db2.gz UOFUYYFZEWQKBL-UHFFFAOYSA-N -1 1 348.330 2.898 10 10 EFCEMM CCCCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC001638428603 1100859525 /nfs/dbraw/zinc/85/95/25/1100859525.db2.gz BELGTGCXQZNMRJ-QWHCGFSZSA-N -1 1 325.380 2.951 10 10 EFCEMM Cc1ccncc1CC(=O)NCc1cccc(Br)c1[O-] ZINC001640087961 1101012854 /nfs/dbraw/zinc/01/28/54/1101012854.db2.gz NUPVYXGLFOTCRZ-UHFFFAOYSA-N -1 1 335.201 2.717 10 10 EFCEMM CC(=O)N(CC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001640405329 1101043974 /nfs/dbraw/zinc/04/39/74/1101043974.db2.gz RHENYMATVOGMKM-UHFFFAOYSA-N -1 1 332.787 2.715 10 10 EFCEMM CCc1cccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC001642253644 1101201928 /nfs/dbraw/zinc/20/19/28/1101201928.db2.gz QABFWEWUQZEJHZ-UHFFFAOYSA-N -1 1 348.424 2.603 10 10 EFCEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001625852430 1101828237 /nfs/dbraw/zinc/82/82/37/1101828237.db2.gz NOAMBDALAGZBEH-UHFFFAOYSA-N -1 1 338.407 2.826 10 10 EFCEMM C[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737324 1103572720 /nfs/dbraw/zinc/57/27/20/1103572720.db2.gz GSGVNLYCAFUJMF-CQSZACIVSA-N -1 1 341.407 2.940 10 10 EFCEMM C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000905737324 1103572727 /nfs/dbraw/zinc/57/27/27/1103572727.db2.gz GSGVNLYCAFUJMF-CQSZACIVSA-N -1 1 341.407 2.940 10 10 EFCEMM COc1cccc(C(C)=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784053463 1104057273 /nfs/dbraw/zinc/05/72/73/1104057273.db2.gz FNQBNUDKYQMZMT-WQLSENKSSA-N -1 1 342.347 2.936 10 10 EFCEMM CC(=O)N(C)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001672485792 1105842294 /nfs/dbraw/zinc/84/22/94/1105842294.db2.gz KZLVLUJZVSLCMH-UHFFFAOYSA-N -1 1 348.790 2.745 10 10 EFCEMM COc1ccccc1CONC(=O)NCc1cccc(Cl)c1[O-] ZINC001680562197 1107939119 /nfs/dbraw/zinc/93/91/19/1107939119.db2.gz IOQAJHQLCUASCJ-UHFFFAOYSA-N -1 1 336.775 2.985 10 10 EFCEMM O=C(COc1ccccc1)Nc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1 ZINC000004016323 210100280 /nfs/dbraw/zinc/10/02/80/210100280.db2.gz WACUBTMQMHZVDF-UHFFFAOYSA-N -1 1 343.770 2.585 10 10 EFCEMM CC1(C)SC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000283587780 474442321 /nfs/dbraw/zinc/44/23/21/474442321.db2.gz LKPAUHOILSXCEG-JTQLQIEISA-N -1 1 345.262 2.848 10 10 EFCEMM CCOCc1nc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])no1 ZINC000290276346 474564365 /nfs/dbraw/zinc/56/43/65/474564365.db2.gz WRZPGELHXCWUGE-QWRGUYRKSA-N -1 1 349.387 2.510 10 10 EFCEMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000294941524 475093196 /nfs/dbraw/zinc/09/31/96/475093196.db2.gz LLJUJNHWDZRGCT-ZUZCIYMTSA-N -1 1 349.333 2.978 10 10 EFCEMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736451 476424238 /nfs/dbraw/zinc/42/42/38/476424238.db2.gz BAPMLDJVCLDKMQ-QWRKXWFKSA-N -1 1 329.227 2.785 10 10 EFCEMM O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367440006 477511528 /nfs/dbraw/zinc/51/15/28/477511528.db2.gz YXWKDIXNYTXYIG-OAHLLOKOSA-N -1 1 326.780 2.956 10 10 EFCEMM CCn1ncc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000527925602 478573492 /nfs/dbraw/zinc/57/34/92/478573492.db2.gz VKEQEVKXBDSQCN-QMMMGPOBSA-N -1 1 343.200 2.756 10 10 EFCEMM Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529676713 479245548 /nfs/dbraw/zinc/24/55/48/479245548.db2.gz SZEZKVAURFRPMG-KGLIPLIRSA-N -1 1 329.849 2.506 10 10 EFCEMM CC1(C)OCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000297908190 534993065 /nfs/dbraw/zinc/99/30/65/534993065.db2.gz TUINHEYBXVPJHB-NSHDSACASA-N -1 1 343.221 2.521 10 10 EFCEMM O=C(NCc1cscn1)NCc1cccc(Br)c1[O-] ZINC000764771190 576501551 /nfs/dbraw/zinc/50/15/51/576501551.db2.gz UILGMZDBGCSGGD-UHFFFAOYSA-N -1 1 342.218 2.611 10 10 EFCEMM Cc1nnccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765342615 577034080 /nfs/dbraw/zinc/03/40/80/577034080.db2.gz GCUYUQLUAJQSKS-UHFFFAOYSA-N -1 1 337.177 2.575 10 10 EFCEMM O=C(COC(=O)c1csc(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC000792325512 1278729615 /nfs/dbraw/zinc/72/96/15/1278729615.db2.gz KZQNHTLDOLSQRN-UHFFFAOYSA-N -1 1 347.270 2.613 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCOCC1 ZINC000787582780 1275815618 /nfs/dbraw/zinc/81/56/18/1275815618.db2.gz WLUPCJDTLCXJEF-JTQLQIEISA-N -1 1 328.206 2.588 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2ccnn2C)c1[O-] ZINC000844465830 1279023241 /nfs/dbraw/zinc/02/32/41/1279023241.db2.gz VXARTZIMNATSHI-INIZCTEOSA-N -1 1 349.818 2.555 10 10 EFCEMM Cc1cc([C@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])CCO2)ccc1F ZINC000789995656 1277154334 /nfs/dbraw/zinc/15/43/34/1277154334.db2.gz QRJYYTYYRFCCLF-OAHLLOKOSA-N -1 1 349.333 2.898 10 10 EFCEMM CCN(CC)c1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1F ZINC000806571245 1281099604 /nfs/dbraw/zinc/09/96/04/1281099604.db2.gz SCPCJYZEHPUNHY-FNORWQNLSA-N -1 1 327.363 2.573 10 10 EFCEMM COc1cccc2c1[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2 ZINC000814533608 1286725272 /nfs/dbraw/zinc/72/52/72/1286725272.db2.gz BTVLWQPSUQTRNJ-CYBMUJFWSA-N -1 1 342.347 2.562 10 10 EFCEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775292199 1291819499 /nfs/dbraw/zinc/81/94/99/1291819499.db2.gz VOHKTHRTWMVOAT-UHFFFAOYSA-N -1 1 349.408 2.905 10 10 EFCEMM COC(=O)[C@@](C)(CCF)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852578375 1299765437 /nfs/dbraw/zinc/76/54/37/1299765437.db2.gz KNICVHHXFQZTPE-OAHLLOKOSA-N -1 1 331.771 2.629 10 10 EFCEMM COC(=O)[C@](C)(CCF)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852578374 1299766515 /nfs/dbraw/zinc/76/65/15/1299766515.db2.gz KNICVHHXFQZTPE-HNNXBMFYSA-N -1 1 331.771 2.629 10 10 EFCEMM COc1ccc(N2CC[C@@H](NC(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000855224101 1300846389 /nfs/dbraw/zinc/84/63/89/1300846389.db2.gz DDZRGBUCJDBLKY-CYBMUJFWSA-N -1 1 330.359 2.549 10 10 EFCEMM COc1cc([N-]S(=O)(=O)c2ccccc2SC)ccc1O ZINC000797820166 1302941805 /nfs/dbraw/zinc/94/18/05/1302941805.db2.gz JJIPLIRKCZBAMI-UHFFFAOYSA-N -1 1 325.411 2.924 10 10 EFCEMM C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864509116 1302954663 /nfs/dbraw/zinc/95/46/63/1302954663.db2.gz GQTHGMLPLMGOGU-TZMCWYRMSA-N -1 1 328.206 2.888 10 10 EFCEMM O=C(NCCc1ccc2ccccc2n1)c1c(F)ccc(O)c1[O-] ZINC001160598836 1311743869 /nfs/dbraw/zinc/74/38/69/1311743869.db2.gz AASRHSLNJUAXKJ-UHFFFAOYSA-N -1 1 326.327 2.758 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C(F)F)C2)c1 ZINC000802654618 1311888108 /nfs/dbraw/zinc/88/81/08/1311888108.db2.gz YIAILYSGJMTJJT-NSHDSACASA-N -1 1 336.176 2.929 10 10 EFCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(-c2ccco2)n1 ZINC001305084754 1324672385 /nfs/dbraw/zinc/67/23/85/1324672385.db2.gz MRGONSPDSZNDIA-UHFFFAOYSA-N -1 1 331.759 2.969 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1[O-] ZINC001307878738 1324783849 /nfs/dbraw/zinc/78/38/49/1324783849.db2.gz XCQCRGJNPSWATC-GMTAPVOTSA-N -1 1 338.835 2.688 10 10 EFCEMM CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1c1ccc(F)cc1 ZINC001324417694 1329625434 /nfs/dbraw/zinc/62/54/34/1329625434.db2.gz OHFOUTYPBNFHNM-XJKSGUPXSA-N -1 1 348.349 2.551 10 10 EFCEMM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001324471292 1329630996 /nfs/dbraw/zinc/63/09/96/1329630996.db2.gz KNHAISQCSBNFBQ-KDOFPFPSSA-N -1 1 331.343 2.706 10 10 EFCEMM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001324471296 1329630999 /nfs/dbraw/zinc/63/09/99/1329630999.db2.gz KNHAISQCSBNFBQ-RDTXWAMCSA-N -1 1 331.343 2.706 10 10 EFCEMM CC(C)O[N-]C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001324790954 1329658116 /nfs/dbraw/zinc/65/81/16/1329658116.db2.gz DETZFHNPLQBMRG-UHFFFAOYSA-N -1 1 329.444 2.864 10 10 EFCEMM C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038572 1394935291 /nfs/dbraw/zinc/93/52/91/1394935291.db2.gz XGVGRTRKTLHLNQ-MEBBXXQBSA-N -1 1 337.778 2.966 10 10 EFCEMM O=C(NCCOCc1ccc(Cl)cc1)c1c(F)ccc(O)c1[O-] ZINC001457705137 1395298691 /nfs/dbraw/zinc/29/86/91/1395298691.db2.gz DPQOZTWAQSMJGZ-UHFFFAOYSA-N -1 1 339.750 2.837 10 10 EFCEMM COC(=O)c1cnc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001458705081 1395556432 /nfs/dbraw/zinc/55/64/32/1395556432.db2.gz ZGFLEGRFIXTCIL-UHFFFAOYSA-N -1 1 337.719 2.748 10 10 EFCEMM COc1cc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1 ZINC001558910289 1415209954 /nfs/dbraw/zinc/20/99/54/1415209954.db2.gz YICDBFGRVPVXNE-UHFFFAOYSA-N -1 1 335.331 2.526 10 10 EFCEMM O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Br)c([O-])c1 ZINC001567612466 1416209748 /nfs/dbraw/zinc/20/97/48/1416209748.db2.gz YBDXCKRSNVHJGV-UHFFFAOYSA-N -1 1 338.157 2.747 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCO[C@H]1c1ccncc1 ZINC000890761450 713448127 /nfs/dbraw/zinc/44/81/27/713448127.db2.gz SOFHPWLKHZAKRQ-CJNGLKHVSA-N -1 1 332.787 2.835 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@]12OCCC[C@H]1C2(F)F ZINC000895786431 724313399 /nfs/dbraw/zinc/31/33/99/724313399.db2.gz SJWKOEYQKUHNCD-RISCZKNCSA-N -1 1 346.761 2.659 10 10 EFCEMM CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001647827010 1089888379 /nfs/dbraw/zinc/88/83/79/1089888379.db2.gz SKOKSFCUACMWPK-MHWRWJLKSA-N -1 1 344.798 2.839 10 10 EFCEMM C[S@@](=O)c1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001647830000 1089888982 /nfs/dbraw/zinc/88/89/82/1089888982.db2.gz DCAYWHMJASZQOS-JOCHJYFZSA-N -1 1 337.828 2.642 10 10 EFCEMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001586262505 1092717187 /nfs/dbraw/zinc/71/71/87/1092717187.db2.gz VIAXHLXDDILJDT-UHFFFAOYSA-N -1 1 330.779 2.537 10 10 EFCEMM COc1cc(CCNC(=O)c2c([O-])c(O)ccc2F)ccc1Cl ZINC001651039949 1093520593 /nfs/dbraw/zinc/52/05/93/1093520593.db2.gz NRSXLMXSZHECKN-UHFFFAOYSA-N -1 1 339.750 2.871 10 10 EFCEMM CSc1nc(=O)[nH]c(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860708 1097463464 /nfs/dbraw/zinc/46/34/64/1097463464.db2.gz QKUKDDMETNKQMJ-UHFFFAOYSA-N -1 1 339.804 2.502 10 10 EFCEMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1noc(-c2ccccc2)n1 ZINC001611042869 1098973587 /nfs/dbraw/zinc/97/35/87/1098973587.db2.gz JIPGHWBDBZVWBH-SECBINFHSA-N -1 1 343.314 2.778 10 10 EFCEMM O=C(NCCc1nsc2ccccc12)c1c(F)ccc(O)c1[O-] ZINC001611608140 1099024061 /nfs/dbraw/zinc/02/40/61/1099024061.db2.gz QPTCJHRPVMSDKM-UHFFFAOYSA-N -1 1 332.356 2.819 10 10 EFCEMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(C=O)c2[O-])c1 ZINC001622778994 1099543050 /nfs/dbraw/zinc/54/30/50/1099543050.db2.gz FARWHDUHGDHNCT-LLVKDONJSA-N -1 1 329.352 2.718 10 10 EFCEMM Nc1ccc(F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001623364698 1099581014 /nfs/dbraw/zinc/58/10/14/1099581014.db2.gz SSISLYBJUGKLIT-UHFFFAOYSA-N -1 1 339.164 2.806 10 10 EFCEMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([O-])c1F ZINC001623451519 1099590543 /nfs/dbraw/zinc/59/05/43/1099590543.db2.gz GQFLUJWRFUBSHL-UHFFFAOYSA-N -1 1 344.386 2.640 10 10 EFCEMM CC(=O)Nc1ccc(CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001637219076 1100765395 /nfs/dbraw/zinc/76/53/95/1100765395.db2.gz SMBZTYDZVIQAMA-UHFFFAOYSA-N -1 1 332.787 2.863 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ncn(-c2ccccc2)n1 ZINC001637226827 1100766191 /nfs/dbraw/zinc/76/61/91/1100766191.db2.gz AYTZAMORQDXHNP-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM CCCCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC001638428599 1100859339 /nfs/dbraw/zinc/85/93/39/1100859339.db2.gz BELGTGCXQZNMRJ-CHWSQXEVSA-N -1 1 325.380 2.951 10 10 EFCEMM O=C(NCc1ccnc(C(F)(F)F)c1)c1c(F)ccc(O)c1[O-] ZINC001638703761 1100880025 /nfs/dbraw/zinc/88/00/25/1100880025.db2.gz HORCSIWFYUTEPC-UHFFFAOYSA-N -1 1 330.237 2.581 10 10 EFCEMM CC(=O)NCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640401952 1101043819 /nfs/dbraw/zinc/04/38/19/1101043819.db2.gz INQHAMQGKYXXDU-UHFFFAOYSA-N -1 1 332.787 2.612 10 10 EFCEMM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1c(F)ccc(O)c1[O-] ZINC001641795617 1101166255 /nfs/dbraw/zinc/16/62/55/1101166255.db2.gz OACWBHCDKBYLJS-JBCWJZNQSA-N -1 1 333.746 2.958 10 10 EFCEMM Cn1cc(-c2nc(C(=O)NCc3cccc(Cl)c3[O-])cs2)cn1 ZINC001653567313 1101632282 /nfs/dbraw/zinc/63/22/82/1101632282.db2.gz UDBBMYOKELVPPZ-UHFFFAOYSA-N -1 1 348.815 2.833 10 10 EFCEMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761818 1101960023 /nfs/dbraw/zinc/96/00/23/1101960023.db2.gz YYWJTBBKBRTDNT-CMPLNLGQSA-N -1 1 340.807 2.575 10 10 EFCEMM CC1(C)CO[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000897576460 1105767253 /nfs/dbraw/zinc/76/72/53/1105767253.db2.gz IVUPABSDYPQCAG-NSHDSACASA-N -1 1 342.233 2.976 10 10 EFCEMM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001672327547 1105802083 /nfs/dbraw/zinc/80/20/83/1105802083.db2.gz SXZBSVYPSCPOOX-UHFFFAOYSA-N -1 1 349.774 2.996 10 10 EFCEMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001679448678 1107576322 /nfs/dbraw/zinc/57/63/22/1107576322.db2.gz WXCVTRVCHMYUGF-OWYVNGRQSA-N -1 1 326.824 2.904 10 10 EFCEMM COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000021024162 212200903 /nfs/dbraw/zinc/20/09/03/212200903.db2.gz QQIXMZGMXZRVDC-UHFFFAOYSA-N -1 1 343.770 2.829 10 10 EFCEMM O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCN(C3CC3)CC2)c1[O-] ZINC000179729508 473713036 /nfs/dbraw/zinc/71/30/36/473713036.db2.gz NBWVSKOVZHYWMT-UHFFFAOYSA-N -1 1 325.796 2.624 10 10 EFCEMM COc1c([O-])c(CN2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000282516461 474094881 /nfs/dbraw/zinc/09/48/81/474094881.db2.gz ZIPGRPRRANZRBC-UHFFFAOYSA-N -1 1 343.177 2.794 10 10 EFCEMM CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])no1 ZINC000290276348 474564292 /nfs/dbraw/zinc/56/42/92/474564292.db2.gz WRZPGELHXCWUGE-WDEREUQCSA-N -1 1 349.387 2.510 10 10 EFCEMM C[C@H](NCc1ccn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756776825 575786173 /nfs/dbraw/zinc/78/61/73/575786173.db2.gz DUOUJLXEUZHVIN-QMMMGPOBSA-N -1 1 328.185 2.878 10 10 EFCEMM Cc1cnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000763243753 576369204 /nfs/dbraw/zinc/36/92/04/576369204.db2.gz KOSJCAYCZKLDMP-UHFFFAOYSA-N -1 1 343.452 2.579 10 10 EFCEMM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468255 577364740 /nfs/dbraw/zinc/36/47/40/577364740.db2.gz FUOROXADYDOWCL-SECBINFHSA-N -1 1 338.256 2.566 10 10 EFCEMM C[C@H]1CCOCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650947 581496489 /nfs/dbraw/zinc/49/64/89/581496489.db2.gz SRKQLGHXBDLQSY-AWEZNQCLSA-N -1 1 341.407 2.940 10 10 EFCEMM C[C@H]1CCOCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000774650947 581496490 /nfs/dbraw/zinc/49/64/90/581496490.db2.gz SRKQLGHXBDLQSY-AWEZNQCLSA-N -1 1 341.407 2.940 10 10 EFCEMM C[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)CC1(C)C ZINC000715739810 1263906820 /nfs/dbraw/zinc/90/68/20/1263906820.db2.gz ZMFILVAIMBUXRG-UHFFFAOYSA-N -1 1 331.229 2.820 10 10 EFCEMM Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124754 1278419493 /nfs/dbraw/zinc/41/94/93/1278419493.db2.gz XJYJZLMNMPKLLG-JMCQJSRRSA-N -1 1 327.705 2.930 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CCn3cnnc3[C@H]2C)c1 ZINC000792190498 1278630882 /nfs/dbraw/zinc/63/08/82/1278630882.db2.gz WSIQBFAQZZYUGU-SNVBAGLBSA-N -1 1 337.221 2.631 10 10 EFCEMM CCN1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC000787416385 1275769768 /nfs/dbraw/zinc/76/97/68/1275769768.db2.gz DPPXCRSJTMFYES-UHFFFAOYSA-N -1 1 341.249 2.517 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818330152 1276507797 /nfs/dbraw/zinc/50/77/97/1276507797.db2.gz OMTYACCXJBAAMC-LKFCYVNXSA-N -1 1 325.792 2.933 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818330152 1276507802 /nfs/dbraw/zinc/50/78/02/1276507802.db2.gz OMTYACCXJBAAMC-LKFCYVNXSA-N -1 1 325.792 2.933 10 10 EFCEMM COc1ccc(OC)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789944696 1277108139 /nfs/dbraw/zinc/10/81/39/1277108139.db2.gz WQZJTTUVVSHWCD-SECBINFHSA-N -1 1 335.331 2.745 10 10 EFCEMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1c(F)ccc(O)c1[O-] ZINC000789977669 1277139272 /nfs/dbraw/zinc/13/92/72/1277139272.db2.gz XBDRRTRGPGLFPW-UHFFFAOYSA-N -1 1 332.306 2.830 10 10 EFCEMM Cc1ccc(CN(CCO)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000793364310 1279577796 /nfs/dbraw/zinc/57/77/96/1279577796.db2.gz DWMBNWWNTZUDCH-UHFFFAOYSA-N -1 1 340.763 2.850 10 10 EFCEMM CN(C)c1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c(C(F)(F)F)c1 ZINC000806571421 1281097849 /nfs/dbraw/zinc/09/78/49/1281097849.db2.gz VEIDTYUJMQERKQ-HYXAFXHYSA-N -1 1 349.316 2.673 10 10 EFCEMM CN(C)c1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c(C(F)(F)F)c1 ZINC000806571420 1281098703 /nfs/dbraw/zinc/09/87/03/1281098703.db2.gz VEIDTYUJMQERKQ-HWKANZROSA-N -1 1 349.316 2.673 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC001297438772 1323216767 /nfs/dbraw/zinc/21/67/67/1323216767.db2.gz DANOGUPAFROWPW-JTQLQIEISA-N -1 1 335.201 2.970 10 10 EFCEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776750906 1300647077 /nfs/dbraw/zinc/64/70/77/1300647077.db2.gz NOMBVZWPJYGGKF-UHFFFAOYSA-N -1 1 341.772 2.633 10 10 EFCEMM C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864508978 1302954064 /nfs/dbraw/zinc/95/40/64/1302954064.db2.gz GQTHGMLPLMGOGU-GXTWGEPZSA-N -1 1 328.206 2.888 10 10 EFCEMM C[C@H](NCc1nn(C)cc1C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866564932 1303689206 /nfs/dbraw/zinc/68/92/06/1303689206.db2.gz FSHCGPSHHLFTAU-QMMMGPOBSA-N -1 1 326.303 2.822 10 10 EFCEMM O=C(COC(=O)C1([C@H]2CCCCO2)CCC1)c1ccc([O-])c(O)c1 ZINC000869811591 1304981859 /nfs/dbraw/zinc/98/18/59/1304981859.db2.gz YAEQRBFCEKGNQD-MRXNPFEDSA-N -1 1 334.368 2.563 10 10 EFCEMM CC(C)(C)c1csc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000870060701 1305110794 /nfs/dbraw/zinc/11/07/94/1305110794.db2.gz LYAOMQFPHCRYCK-UHFFFAOYSA-N -1 1 335.381 2.892 10 10 EFCEMM COc1c(F)cc(C(=O)NCc2cccc(Cl)c2[O-])c(N)c1F ZINC001159041539 1311439577 /nfs/dbraw/zinc/43/95/77/1311439577.db2.gz QYUJFWUVEWCONU-UHFFFAOYSA-N -1 1 342.729 2.845 10 10 EFCEMM CNc1c(C(=O)NCc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001159041305 1311439845 /nfs/dbraw/zinc/43/98/45/1311439845.db2.gz HQAQWTFABHRBKH-UHFFFAOYSA-N -1 1 335.747 2.926 10 10 EFCEMM COC(=O)Cc1sccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041589 1311439907 /nfs/dbraw/zinc/43/99/07/1311439907.db2.gz TVBVYCTXMXVQGF-UHFFFAOYSA-N -1 1 339.800 2.753 10 10 EFCEMM Cc1cnc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c([O-])c1 ZINC001162113775 1312050540 /nfs/dbraw/zinc/05/05/40/1312050540.db2.gz ITJZBSCDGITJRJ-CQSZACIVSA-N -1 1 327.428 2.831 10 10 EFCEMM COC(=O)c1ccnc(NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001164341285 1312495327 /nfs/dbraw/zinc/49/53/27/1312495327.db2.gz DYNRDTSBVJPMAD-UHFFFAOYSA-N -1 1 337.719 2.748 10 10 EFCEMM O=C(NCCc1ccoc1)NCc1cccc(Br)c1[O-] ZINC001253099020 1315566982 /nfs/dbraw/zinc/56/69/82/1315566982.db2.gz KHARKEKQDMENCY-UHFFFAOYSA-N -1 1 339.189 2.790 10 10 EFCEMM COc1c([O-])c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955532 1316256387 /nfs/dbraw/zinc/25/63/87/1316256387.db2.gz JBYCFXVIHORKSO-VFZGTOFNSA-N -1 1 346.330 2.554 10 10 EFCEMM COc1cccc(Cl)c1CNC(=O)c1c([O-])c(O)ccc1F ZINC001306825889 1324723231 /nfs/dbraw/zinc/72/32/31/1324723231.db2.gz FAAPHIQPFNGMCP-UHFFFAOYSA-N -1 1 325.723 2.829 10 10 EFCEMM O=C(NCC(F)(F)c1cccc(F)c1)c1c([O-])c(O)ccc1F ZINC001306872811 1324727691 /nfs/dbraw/zinc/72/76/91/1324727691.db2.gz RRCLSCMSJVGCCT-UHFFFAOYSA-N -1 1 329.249 2.898 10 10 EFCEMM O=C([N-]c1c2nonc2ccc1Cl)c1cnc(OCC2CC2)cn1 ZINC001323483521 1329546563 /nfs/dbraw/zinc/54/65/63/1329546563.db2.gz PJIGOQZSVDJABI-UHFFFAOYSA-N -1 1 345.746 2.707 10 10 EFCEMM COc1cc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)ccc1O ZINC001344476390 1332457268 /nfs/dbraw/zinc/45/72/68/1332457268.db2.gz PMCADYVFPMDUQM-UHFFFAOYSA-N -1 1 334.353 2.651 10 10 EFCEMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1nccn1-c1ccccc1 ZINC001457860729 1395370119 /nfs/dbraw/zinc/37/01/19/1395370119.db2.gz RCYKJYFMEBCVQK-NSHDSACASA-N -1 1 341.342 2.914 10 10 EFCEMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(F)ccc1N(C)C ZINC001472633970 1397263739 /nfs/dbraw/zinc/26/37/39/1397263739.db2.gz JZEGAUJKOJALOI-VIFPVBQESA-N -1 1 336.338 2.933 10 10 EFCEMM O=C(NCc1cccc2c1OCC2)NCc1cccc(Cl)c1[O-] ZINC001479413650 1397719161 /nfs/dbraw/zinc/71/91/61/1397719161.db2.gz ZBTGPJNNGKCAIQ-UHFFFAOYSA-N -1 1 332.787 2.980 10 10 EFCEMM C[C@@H]1Oc2c(cccc2C(=O)NCc2cccc(Cl)c2[O-])NC1=O ZINC001558756757 1415199733 /nfs/dbraw/zinc/19/97/33/1415199733.db2.gz ADZVLLRKVVPCPH-VIFPVBQESA-N -1 1 346.770 2.695 10 10 EFCEMM C[C@@H](NCc1cnn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000806168537 713408406 /nfs/dbraw/zinc/40/84/06/713408406.db2.gz QCLDHVRFQXHDFO-SSDOTTSWSA-N -1 1 345.628 2.787 10 10 EFCEMM O=C(NCc1cc(Br)ccc1O)c1ccc([O-])c(F)c1 ZINC000804737465 713456185 /nfs/dbraw/zinc/45/61/85/713456185.db2.gz RVLPMDYXDQYGSN-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@H]1CCCO1 ZINC000151743554 725821037 /nfs/dbraw/zinc/82/10/37/725821037.db2.gz CMGVFSNYTKPLMG-OAHLLOKOSA-N -1 1 341.407 2.940 10 10 EFCEMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@H]1CCCO1 ZINC000151743554 725821039 /nfs/dbraw/zinc/82/10/39/725821039.db2.gz CMGVFSNYTKPLMG-OAHLLOKOSA-N -1 1 341.407 2.940 10 10 EFCEMM CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1C ZINC000183197912 727988367 /nfs/dbraw/zinc/98/83/67/727988367.db2.gz DVGWDFDKQKUIMM-UHFFFAOYSA-N -1 1 348.424 2.887 10 10 EFCEMM O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(Cl)c1[O-] ZINC001647826916 1089889923 /nfs/dbraw/zinc/88/99/23/1089889923.db2.gz OZTRJZBOTKJUTD-UHFFFAOYSA-N -1 1 336.731 2.649 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(N2CCNC2=O)c1 ZINC001647826972 1089890111 /nfs/dbraw/zinc/89/01/11/1089890111.db2.gz QWDPXAQWLZLSLP-UHFFFAOYSA-N -1 1 345.786 2.505 10 10 EFCEMM COc1cccc2cc(CNC(=O)c3c(F)ccc(O)c3[O-])oc21 ZINC001648522157 1092229001 /nfs/dbraw/zinc/22/90/01/1092229001.db2.gz FAXAIKXQBJTZBO-UHFFFAOYSA-N -1 1 331.299 2.922 10 10 EFCEMM COc1cc2c(cc1C(=O)NCc1cccc(Cl)c1[O-])OCO2 ZINC001648606173 1092237881 /nfs/dbraw/zinc/23/78/81/1092237881.db2.gz KAOWTBFMAWODRP-UHFFFAOYSA-N -1 1 335.743 2.713 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]nc1-c1cccnc1 ZINC001648606534 1092238375 /nfs/dbraw/zinc/23/83/75/1092238375.db2.gz RWYFKWLUBODABQ-UHFFFAOYSA-N -1 1 328.759 2.761 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(c2ccccc2)=NO1 ZINC001648606476 1092238676 /nfs/dbraw/zinc/23/86/76/1092238676.db2.gz QXJONPQGEOBFDS-OAHLLOKOSA-N -1 1 330.771 2.855 10 10 EFCEMM CCn1cc(Cl)c(C(=O)[N-]c2c3nonc3ccc2Cl)n1 ZINC001586682983 1092750699 /nfs/dbraw/zinc/75/06/99/1092750699.db2.gz PCBCICNYUNTQCR-UHFFFAOYSA-N -1 1 326.143 2.998 10 10 EFCEMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])c(O)ccc2F)cc1[N+](=O)[O-] ZINC001650842576 1093499882 /nfs/dbraw/zinc/49/98/82/1093499882.db2.gz WRQQBYSPHIAUPM-SECBINFHSA-N -1 1 334.303 2.945 10 10 EFCEMM COc1ccc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC001594800279 1094440003 /nfs/dbraw/zinc/44/00/03/1094440003.db2.gz VEYOPDBFLFBVTO-UHFFFAOYSA-N -1 1 348.349 2.641 10 10 EFCEMM CC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1c(C)noc1C ZINC000783360265 1096960479 /nfs/dbraw/zinc/96/04/79/1096960479.db2.gz VDURJPYVVHASJZ-LBPRGKRZSA-N -1 1 333.340 2.622 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001606868830 1097464200 /nfs/dbraw/zinc/46/42/00/1097464200.db2.gz RAKKUIUCOUICGY-XIKOKIGWSA-N -1 1 342.782 2.572 10 10 EFCEMM CC(C)n1ccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC001623365036 1099580947 /nfs/dbraw/zinc/58/09/47/1099580947.db2.gz WPLRIYZTYCNIJT-UHFFFAOYSA-N -1 1 338.205 2.862 10 10 EFCEMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC001623550158 1099600938 /nfs/dbraw/zinc/60/09/38/1099600938.db2.gz RWXCGVYVUPSSHY-UHFFFAOYSA-N -1 1 338.407 2.834 10 10 EFCEMM COc1ccc(N2CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)cc1 ZINC001625249628 1099786837 /nfs/dbraw/zinc/78/68/37/1099786837.db2.gz ZCLNOSAPLYZGOY-UHFFFAOYSA-N -1 1 344.386 2.892 10 10 EFCEMM Cc1cc(C=O)c([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC001627198946 1099967662 /nfs/dbraw/zinc/96/76/62/1099967662.db2.gz OXWPVRJFXOLKOM-UHFFFAOYSA-N -1 1 336.438 2.882 10 10 EFCEMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)ccc([O-])c1F ZINC001634387165 1100605777 /nfs/dbraw/zinc/60/57/77/1100605777.db2.gz NBNCXIQWTWYPLX-UHFFFAOYSA-N -1 1 334.322 2.776 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])C1(c2cccnc2)CC1 ZINC001635840789 1100682945 /nfs/dbraw/zinc/68/29/45/1100682945.db2.gz WWPMQSHBPYJWHX-UHFFFAOYSA-N -1 1 347.212 2.898 10 10 EFCEMM CCc1nocc1C(=O)NCc1cccc(Br)c1[O-] ZINC001635839726 1100683052 /nfs/dbraw/zinc/68/30/52/1100683052.db2.gz KMVNSYJQFFJNCA-UHFFFAOYSA-N -1 1 325.162 2.635 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]nc1-c1ccccn1 ZINC001637227389 1100765939 /nfs/dbraw/zinc/76/59/39/1100765939.db2.gz ZILLHHITAJNWIB-UHFFFAOYSA-N -1 1 328.759 2.761 10 10 EFCEMM COc1ccc(C=O)c(OCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001640404763 1101043227 /nfs/dbraw/zinc/04/32/27/1101043227.db2.gz FXJZERBKLPJRCO-UHFFFAOYSA-N -1 1 349.770 2.562 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cn2cncn2)cc1 ZINC001640401713 1101043493 /nfs/dbraw/zinc/04/34/93/1101043493.db2.gz BRPBDEWTVLANCD-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM O=C(NCc1c(O)cccc1F)c1ccc(Br)cc1[O-] ZINC001652298883 1101471934 /nfs/dbraw/zinc/47/19/34/1101471934.db2.gz SEBMACZNYADOSI-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(N2CCOC2=O)cc1 ZINC001653563525 1101630868 /nfs/dbraw/zinc/63/08/68/1101630868.db2.gz ATSSNEPWYUSINX-UHFFFAOYSA-N -1 1 346.770 2.932 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CC(=O)NC[C@@H]2C(C)(C)C)c1[O-] ZINC001655695701 1101874565 /nfs/dbraw/zinc/87/45/65/1101874565.db2.gz LPXSDWADRQVBEJ-CQSZACIVSA-N -1 1 338.835 2.595 10 10 EFCEMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000088547721 1106169308 /nfs/dbraw/zinc/16/93/08/1106169308.db2.gz ZLMAQMCEKVHQHS-UHFFFAOYSA-N -1 1 348.424 2.724 10 10 EFCEMM O=C(COC(=O)C1(C(F)(F)F)CCCC1)c1ccc([O-])c(O)c1 ZINC000842133448 1109006138 /nfs/dbraw/zinc/00/61/38/1109006138.db2.gz JSVKFFUXXFBHLQ-UHFFFAOYSA-N -1 1 332.274 2.946 10 10 EFCEMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000021784020 202071285 /nfs/dbraw/zinc/07/12/85/202071285.db2.gz MTHJHMCYZUHYET-VIFPVBQESA-N -1 1 347.396 2.570 10 10 EFCEMM Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000034957438 202282759 /nfs/dbraw/zinc/28/27/59/202282759.db2.gz QWPQLLXNTOKFIR-UHFFFAOYSA-N -1 1 327.203 2.832 10 10 EFCEMM CN(C)c1noc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000194938928 240188854 /nfs/dbraw/zinc/18/88/54/240188854.db2.gz DTUQJASYSDNDGA-NSHDSACASA-N -1 1 336.823 2.874 10 10 EFCEMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c([O-])c(O)ccc1F ZINC000296289724 241080381 /nfs/dbraw/zinc/08/03/81/241080381.db2.gz LROVUPJXJPRGEM-SECBINFHSA-N -1 1 335.379 2.988 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)F)CC2)c1[O-] ZINC000267409119 474666774 /nfs/dbraw/zinc/66/67/74/474666774.db2.gz SUIYHUDWOYCBKN-UHFFFAOYSA-N -1 1 332.778 2.631 10 10 EFCEMM Cc1cc(Cl)cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292840927 474668934 /nfs/dbraw/zinc/66/89/34/474668934.db2.gz SCWYBIJBSGGIPN-UHFFFAOYSA-N -1 1 331.865 2.611 10 10 EFCEMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1c(F)ccc(O)c1[O-] ZINC000294879145 475088200 /nfs/dbraw/zinc/08/82/00/475088200.db2.gz HJLVKQHFKHUJEC-UHFFFAOYSA-N -1 1 336.388 2.844 10 10 EFCEMM CO[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000295230958 475113024 /nfs/dbraw/zinc/11/30/24/475113024.db2.gz CXBROFLGDWEWGE-YPMHNXCESA-N -1 1 342.233 2.976 10 10 EFCEMM CCn1ncc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000527922313 478573589 /nfs/dbraw/zinc/57/35/89/478573589.db2.gz FLUWNBXETLVSKK-MRVPVSSYSA-N -1 1 343.200 2.756 10 10 EFCEMM C[C@@H](NCc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756539247 575757284 /nfs/dbraw/zinc/75/72/84/575757284.db2.gz KXWDOHVVGXDDFT-SECBINFHSA-N -1 1 344.293 2.910 10 10 EFCEMM Cc1cnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c([O-])c1 ZINC000763257167 576369784 /nfs/dbraw/zinc/36/97/84/576369784.db2.gz CQWNMRMBMMKODP-HNNXBMFYSA-N -1 1 342.395 2.623 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CCn3cnnc3[C@@H]2C)c1 ZINC000792190494 1278631112 /nfs/dbraw/zinc/63/11/12/1278631112.db2.gz WSIQBFAQZZYUGU-JTQLQIEISA-N -1 1 337.221 2.631 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2C[C@H](O)CC(F)(F)C2)c1 ZINC000787437807 1275779892 /nfs/dbraw/zinc/77/98/92/1275779892.db2.gz DNWFGRIZQMSHMO-SNVBAGLBSA-N -1 1 336.176 2.665 10 10 EFCEMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000790417148 1277528136 /nfs/dbraw/zinc/52/81/36/1277528136.db2.gz ITCJCFJJDYIYDU-UHFFFAOYSA-N -1 1 335.381 2.542 10 10 EFCEMM Cc1nc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)sc1C ZINC000845997259 1279989107 /nfs/dbraw/zinc/98/91/07/1279989107.db2.gz ZRTIPYNMDSSYQL-UHFFFAOYSA-N -1 1 332.834 2.597 10 10 EFCEMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCC2CC2)C1 ZINC000817367476 1288562557 /nfs/dbraw/zinc/56/25/57/1288562557.db2.gz AWTNNCGUHRNESB-UHFFFAOYSA-N -1 1 341.455 2.866 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001180409592 1289527250 /nfs/dbraw/zinc/52/72/50/1289527250.db2.gz DMYZGVNSNFLYNZ-UHFFFAOYSA-N -1 1 346.730 2.760 10 10 EFCEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC000776745171 1300591412 /nfs/dbraw/zinc/59/14/12/1300591412.db2.gz FPVBUODJQYVNLF-UHFFFAOYSA-N -1 1 341.772 2.633 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cn(-c2ccccc2)nn1 ZINC001159034560 1311438598 /nfs/dbraw/zinc/43/85/98/1311438598.db2.gz XHXALGTZKDLQFR-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827544896 1315997715 /nfs/dbraw/zinc/99/77/15/1315997715.db2.gz NEOHZSBQRFZAFV-GFCCVEGCSA-N -1 1 346.258 2.887 10 10 EFCEMM O=C(CCc1nc2cccnc2[nH]1)NCc1cccc(Cl)c1[O-] ZINC001305069772 1324671475 /nfs/dbraw/zinc/67/14/75/1324671475.db2.gz OFHIDFVCGYSUST-UHFFFAOYSA-N -1 1 330.775 2.566 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305070012 1324671963 /nfs/dbraw/zinc/67/19/63/1324671963.db2.gz WUJZPHAWGFIHKZ-CYBMUJFWSA-N -1 1 344.798 2.715 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccnc(-c2ccccn2)n1 ZINC001305084410 1324672954 /nfs/dbraw/zinc/67/29/54/1324672954.db2.gz IVXZSKDNZOPNED-UHFFFAOYSA-N -1 1 340.770 2.828 10 10 EFCEMM Cc1ccc2c(CCNC(=O)c3c(F)ccc(O)c3[O-])c[nH]c2c1 ZINC001306829654 1324723213 /nfs/dbraw/zinc/72/32/13/1324723213.db2.gz YXYNRRZWZQAIPW-UHFFFAOYSA-N -1 1 328.343 2.999 10 10 EFCEMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001457037208 1394934609 /nfs/dbraw/zinc/93/46/09/1394934609.db2.gz JYOFBTUVRSVXPK-UHFFFAOYSA-N -1 1 342.782 2.789 10 10 EFCEMM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1c([O-])c(O)ccc1F ZINC001457720248 1395302580 /nfs/dbraw/zinc/30/25/80/1395302580.db2.gz KEYSOMIJUVOGAE-UHFFFAOYSA-N -1 1 329.249 2.926 10 10 EFCEMM CC1(C)CCC[C@@](O)(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC001559024000 1415219172 /nfs/dbraw/zinc/21/91/72/1415219172.db2.gz QWTJKJLZNHAJNP-KRWDZBQOSA-N -1 1 325.380 2.688 10 10 EFCEMM Cc1ccc(O)c(CNC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001684343047 1416718352 /nfs/dbraw/zinc/71/83/52/1416718352.db2.gz XIGGEUCUZNMZHM-UHFFFAOYSA-N -1 1 336.338 2.726 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NCc1cccc2c1OCCO2 ZINC001685681393 1416770734 /nfs/dbraw/zinc/77/07/34/1416770734.db2.gz FOUBHJOKPGVICW-UHFFFAOYSA-N -1 1 348.786 2.816 10 10 EFCEMM CO[C@]12CCC[C@@]1(C(=O)NCc1cccc(Cl)c1[O-])CCO2 ZINC000890763038 713449748 /nfs/dbraw/zinc/44/97/48/713449748.db2.gz NJBJLANUMIXUNI-HOTGVXAUSA-N -1 1 325.792 2.595 10 10 EFCEMM O=C(NCc1cc(Br)ccc1O)c1ccc([O-])cc1F ZINC000804735631 713455441 /nfs/dbraw/zinc/45/54/41/713455441.db2.gz GCAXJKJGTWUJRE-UHFFFAOYSA-N -1 1 340.148 2.929 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000896217568 723206098 /nfs/dbraw/zinc/20/60/98/723206098.db2.gz QIKOCZBRPJTAGW-KBPBESRZSA-N -1 1 338.835 2.908 10 10 EFCEMM CC1(C)C[C@H](O)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895460399 724144161 /nfs/dbraw/zinc/14/41/61/724144161.db2.gz OHTGBPQOZDDJJW-NSHDSACASA-N -1 1 332.213 2.887 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000907758690 727009646 /nfs/dbraw/zinc/00/96/46/727009646.db2.gz SGPIRXKHHGEBFG-BXKDBHETSA-N -1 1 328.206 2.586 10 10 EFCEMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154114645 727714227 /nfs/dbraw/zinc/71/42/27/727714227.db2.gz MOQGWIIYMXGEEC-LBPRGKRZSA-N -1 1 339.355 2.732 10 10 EFCEMM CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001647827011 1089889555 /nfs/dbraw/zinc/88/95/55/1089889555.db2.gz SKOKSFCUACMWPK-YBEGLDIGSA-N -1 1 344.798 2.839 10 10 EFCEMM O=C(Cc1cn2cc(F)ccc2n1)NCc1cccc(Cl)c1[O-] ZINC001647830398 1089892108 /nfs/dbraw/zinc/89/21/08/1089892108.db2.gz VHXMWTZTJIXLBE-UHFFFAOYSA-N -1 1 333.750 2.691 10 10 EFCEMM Cc1cnn(Cc2cc(C(=O)NCc3cccc(Cl)c3[O-])no2)c1 ZINC001648606117 1092239178 /nfs/dbraw/zinc/23/91/78/1092239178.db2.gz IREGPJFMRVUPQE-UHFFFAOYSA-N -1 1 346.774 2.517 10 10 EFCEMM O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001595751964 1094490928 /nfs/dbraw/zinc/49/09/28/1094490928.db2.gz KPZYIEOJNMKBLK-UHFFFAOYSA-N -1 1 341.285 2.795 10 10 EFCEMM CSc1ncc(C(=O)NCc2c(O)ccc3ccccc32)c(=O)[n-]1 ZINC001597741858 1094619097 /nfs/dbraw/zinc/61/90/97/1094619097.db2.gz DHYDKIBCQJNSQT-UHFFFAOYSA-N -1 1 341.392 2.693 10 10 EFCEMM CCOC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])nc1C ZINC001606859761 1097463388 /nfs/dbraw/zinc/46/33/88/1097463388.db2.gz AEYXJYPVMGZAJZ-UHFFFAOYSA-N -1 1 348.786 2.856 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc2cc[nH]c(=O)c2s1 ZINC001606868913 1097464287 /nfs/dbraw/zinc/46/42/87/1097464287.db2.gz SLKLSUDRMWMJLP-UHFFFAOYSA-N -1 1 334.784 2.879 10 10 EFCEMM Cc1ccccc1-n1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1 ZINC001606870592 1097465260 /nfs/dbraw/zinc/46/52/60/1097465260.db2.gz ZPOUMHXHBHPVHR-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM O=C(NCCCSc1nccs1)c1c(F)ccc(O)c1[O-] ZINC001610392891 1098651666 /nfs/dbraw/zinc/65/16/66/1098651666.db2.gz PCXKKLPNBLRNMM-UHFFFAOYSA-N -1 1 328.390 2.606 10 10 EFCEMM Cc1cc(F)ncc1C(=O)NCc1cccc(Br)c1[O-] ZINC001634724480 1100626310 /nfs/dbraw/zinc/62/63/10/1100626310.db2.gz BIXMCIRKOHFLQH-UHFFFAOYSA-N -1 1 339.164 2.927 10 10 EFCEMM O=C(Cc1ccc(O)c(O)c1)Nc1cccc([O-])c1Br ZINC001636029939 1100695560 /nfs/dbraw/zinc/69/55/60/1100695560.db2.gz KJUZVKNZMRDNHK-UHFFFAOYSA-N -1 1 338.157 2.747 10 10 EFCEMM CCCCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC001638428601 1100859315 /nfs/dbraw/zinc/85/93/15/1100859315.db2.gz BELGTGCXQZNMRJ-OLZOCXBDSA-N -1 1 325.380 2.951 10 10 EFCEMM O=C(NC[C@H]1CSc2ccccc2O1)c1c(F)ccc(O)c1[O-] ZINC001641668564 1101155415 /nfs/dbraw/zinc/15/54/15/1101155415.db2.gz IMHVCCZIIYZTKS-VIFPVBQESA-N -1 1 335.356 2.520 10 10 EFCEMM CCc1nc2c(nccc2C(=O)NCc2cccc(Cl)c2[O-])[nH]1 ZINC001653567279 1101632215 /nfs/dbraw/zinc/63/22/15/1101632215.db2.gz SGWXOBVGOFGUPC-UHFFFAOYSA-N -1 1 330.775 2.809 10 10 EFCEMM CC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001664752813 1104538264 /nfs/dbraw/zinc/53/82/64/1104538264.db2.gz DQKOHLLUPRYQKI-UHFFFAOYSA-N -1 1 339.800 2.727 10 10 EFCEMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001679448677 1107577027 /nfs/dbraw/zinc/57/70/27/1107577027.db2.gz WXCVTRVCHMYUGF-CUOATXAZSA-N -1 1 326.824 2.904 10 10 EFCEMM CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1(C)C ZINC001679448676 1107577141 /nfs/dbraw/zinc/57/71/41/1107577141.db2.gz WXCVTRVCHMYUGF-BIGNPOOSSA-N -1 1 326.824 2.904 10 10 EFCEMM COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000899105066 1109203959 /nfs/dbraw/zinc/20/39/59/1109203959.db2.gz NNIBYCWEZWNSPI-PWSUYJOCSA-N -1 1 340.807 2.577 10 10 EFCEMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771575 240262453 /nfs/dbraw/zinc/26/24/53/240262453.db2.gz RXIYIIJCMYBIGV-IAQYHMDHSA-N -1 1 345.270 2.852 10 10 EFCEMM COc1c([O-])c(CNC2(c3noc(C)n3)CCCC2)ccc1[N+](=O)[O-] ZINC000278104870 474601303 /nfs/dbraw/zinc/60/13/03/474601303.db2.gz ABRPDCOTIGOSTI-UHFFFAOYSA-N -1 1 348.359 2.560 10 10 EFCEMM CC1(C)CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000279300985 474968577 /nfs/dbraw/zinc/96/85/77/474968577.db2.gz LOXRSUJTWMULSC-LLVKDONJSA-N -1 1 328.206 2.729 10 10 EFCEMM CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000295230951 475113558 /nfs/dbraw/zinc/11/35/58/475113558.db2.gz CXBROFLGDWEWGE-WCQYABFASA-N -1 1 342.233 2.976 10 10 EFCEMM C[C@H](NCc1cn(C)nn1)c1cc(Br)cc(Cl)c1[O-] ZINC000757655233 575847793 /nfs/dbraw/zinc/84/77/93/575847793.db2.gz IUDWRIBEIWKCTL-ZETCQYMHSA-N -1 1 345.628 2.787 10 10 EFCEMM CCc1nnc(CNCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000708137897 1259679286 /nfs/dbraw/zinc/67/92/86/1259679286.db2.gz GIVZBJSPUDJHCJ-UHFFFAOYSA-N -1 1 345.628 2.778 10 10 EFCEMM Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726610 1278263949 /nfs/dbraw/zinc/26/39/49/1278263949.db2.gz POSDYOBLEGWQHU-ZDUSSCGKSA-N -1 1 336.176 2.665 10 10 EFCEMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(O)c(O)c1 ZINC000735979951 1267478723 /nfs/dbraw/zinc/47/87/23/1267478723.db2.gz QLNZKXAERIECPV-UHFFFAOYSA-N -1 1 346.286 2.587 10 10 EFCEMM COc1ccc(OC)c([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789944697 1277107917 /nfs/dbraw/zinc/10/79/17/1277107917.db2.gz WQZJTTUVVSHWCD-VIFPVBQESA-N -1 1 335.331 2.745 10 10 EFCEMM O=C(c1c(F)ccc(O)c1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000789946682 1277112609 /nfs/dbraw/zinc/11/26/09/1277112609.db2.gz MBGRXOCLOUWOBC-UHFFFAOYSA-N -1 1 326.327 2.917 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1[O-] ZINC000844470233 1279027110 /nfs/dbraw/zinc/02/71/10/1279027110.db2.gz MWYSHYWUOFRDKE-HUUCEWRRSA-N -1 1 339.819 2.626 10 10 EFCEMM O=[N+]([O-])c1ccc([O-])c(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000790635960 1277689821 /nfs/dbraw/zinc/68/98/21/1277689821.db2.gz NOXTXHZHYSOHDT-UHFFFAOYSA-N -1 1 338.367 2.835 10 10 EFCEMM NC(=O)c1[nH]nc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000790980151 1277910581 /nfs/dbraw/zinc/91/05/81/1277910581.db2.gz IYTHDDKRJUHGTF-UHFFFAOYSA-N -1 1 334.738 2.772 10 10 EFCEMM COc1ccc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)nc1 ZINC000846660696 1280404123 /nfs/dbraw/zinc/40/41/23/1280404123.db2.gz WMKQYWXUDKLGQE-UHFFFAOYSA-N -1 1 346.358 2.660 10 10 EFCEMM CCOC(C[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O)OCC ZINC000846969556 1280669631 /nfs/dbraw/zinc/66/96/31/1280669631.db2.gz IDHQDGJNRKCGTD-UHFFFAOYSA-N -1 1 327.396 2.955 10 10 EFCEMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822950084 1289163503 /nfs/dbraw/zinc/16/35/03/1289163503.db2.gz XMIMOOILAMNPCF-NXEZZACHSA-N -1 1 326.183 2.842 10 10 EFCEMM O=C(COC(=O)c1ccn(C2CCCCC2)n1)c1ccc([O-])c(O)c1 ZINC000795743387 1291368958 /nfs/dbraw/zinc/36/89/58/1291368958.db2.gz MUZWBTZBYAUTNO-UHFFFAOYSA-N -1 1 344.367 2.839 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1Cc2cccc(O)c2C1 ZINC001234146415 1313068190 /nfs/dbraw/zinc/06/81/90/1313068190.db2.gz WZTWVVCBNOPZKT-LBPRGKRZSA-N -1 1 332.787 2.718 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1Cc2cccc(O)c2C1 ZINC001234146413 1313068294 /nfs/dbraw/zinc/06/82/94/1313068294.db2.gz WZTWVVCBNOPZKT-GFCCVEGCSA-N -1 1 332.787 2.718 10 10 EFCEMM O=C(COC(=O)C(F)(F)Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000796344143 1294520933 /nfs/dbraw/zinc/52/09/33/1294520933.db2.gz BOPPJBPTKUWYPC-UHFFFAOYSA-N -1 1 336.290 2.702 10 10 EFCEMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC000901662138 1310841527 /nfs/dbraw/zinc/84/15/27/1310841527.db2.gz VRKFMFCUUNRFMT-CYBMUJFWSA-N -1 1 343.445 2.880 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cnn(-c2ccccc2)n1 ZINC001159033997 1311438588 /nfs/dbraw/zinc/43/85/88/1311438588.db2.gz PCRKHDDQZWSZTR-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2[O-])n1 ZINC001307229626 1323133001 /nfs/dbraw/zinc/13/30/01/1323133001.db2.gz KUAXDSNUXVWAMW-UHFFFAOYSA-N -1 1 337.719 2.748 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(-c2ncccn2)s1 ZINC001305069702 1324671466 /nfs/dbraw/zinc/67/14/66/1324671466.db2.gz LLUJIVJXGJPVSG-UHFFFAOYSA-N -1 1 346.799 2.889 10 10 EFCEMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305069289 1324671802 /nfs/dbraw/zinc/67/18/02/1324671802.db2.gz BMALPFYTZQEFJY-MGPLVRAMSA-N -1 1 333.771 2.890 10 10 EFCEMM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305069291 1324671892 /nfs/dbraw/zinc/67/18/92/1324671892.db2.gz BMALPFYTZQEFJY-QLJPJBMISA-N -1 1 333.771 2.890 10 10 EFCEMM CCCN(CCC)c1ccc(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC000901933932 1324760257 /nfs/dbraw/zinc/76/02/57/1324760257.db2.gz NMQABJXLOJKYKF-QAPCUYQASA-N -1 1 334.460 2.987 10 10 EFCEMM CC[C@@H](NCC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062878 1324862582 /nfs/dbraw/zinc/86/25/82/1324862582.db2.gz WWNFVXAPVTXUNP-LLYBFZRZSA-N -1 1 328.416 2.928 10 10 EFCEMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1 ZINC000848617931 1334813805 /nfs/dbraw/zinc/81/38/05/1334813805.db2.gz GCTFCCMAWOIJHW-JLLWLGSASA-N -1 1 349.412 2.717 10 10 EFCEMM CC(C)c1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC001456627128 1394734219 /nfs/dbraw/zinc/73/42/19/1394734219.db2.gz PQZOJIRUWSUZSL-UHFFFAOYSA-N -1 1 349.412 2.534 10 10 EFCEMM C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457038573 1394935319 /nfs/dbraw/zinc/93/53/19/1394935319.db2.gz XGVGRTRKTLHLNQ-ZUZCIYMTSA-N -1 1 337.778 2.966 10 10 EFCEMM COC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001457039317 1394935824 /nfs/dbraw/zinc/93/58/24/1394935824.db2.gz WGSZOSBGFXBMPV-UHFFFAOYSA-N -1 1 325.773 2.824 10 10 EFCEMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC001467764620 1396893862 /nfs/dbraw/zinc/89/38/62/1396893862.db2.gz RZPJALKWIFZXOK-UHFFFAOYSA-N -1 1 326.146 2.686 10 10 EFCEMM COc1ccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)c(O)c1 ZINC001471235114 1397152676 /nfs/dbraw/zinc/15/26/76/1397152676.db2.gz JLGAXMQPCPSEIV-UHFFFAOYSA-N -1 1 336.775 2.759 10 10 EFCEMM COc1cccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)c1O ZINC001479211610 1397619727 /nfs/dbraw/zinc/61/97/27/1397619727.db2.gz LSLAVTYEWBTCPN-UHFFFAOYSA-N -1 1 336.775 2.759 10 10 EFCEMM Cc1nn(C)c2nc(C)cc(C(=O)NCc3cccc(Cl)c3[O-])c12 ZINC001558757259 1415199900 /nfs/dbraw/zinc/19/99/00/1415199900.db2.gz WZIRNLNWOOHRRP-UHFFFAOYSA-N -1 1 344.802 2.874 10 10 EFCEMM O=C(NCc1ccc(Br)o1)c1c(F)ccc(O)c1[O-] ZINC001558967578 1415215045 /nfs/dbraw/zinc/21/50/45/1415215045.db2.gz JXVQMLSFWATUAN-UHFFFAOYSA-N -1 1 330.109 2.522 10 10 EFCEMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2ccccc2c1[O-] ZINC001567467561 1416150441 /nfs/dbraw/zinc/15/04/41/1416150441.db2.gz MATOHRPCRJBMIW-LLVKDONJSA-N -1 1 338.363 2.713 10 10 EFCEMM Cn1nc(CNC(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001686062000 1416787042 /nfs/dbraw/zinc/78/70/42/1416787042.db2.gz CRXBWBFUYXQUMF-UHFFFAOYSA-N -1 1 344.802 2.932 10 10 EFCEMM COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177239556 717954321 /nfs/dbraw/zinc/95/43/21/717954321.db2.gz SZIMMSYPIHESDV-AWEZNQCLSA-N -1 1 325.792 2.776 10 10 EFCEMM CC1(C(=O)[O-])CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000232844113 727110618 /nfs/dbraw/zinc/11/06/18/727110618.db2.gz HEJJVERTCQQDLY-UHFFFAOYSA-N -1 1 328.206 2.841 10 10 EFCEMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@@H]1CCCO1 ZINC000151743478 725821063 /nfs/dbraw/zinc/82/10/63/725821063.db2.gz CMGVFSNYTKPLMG-HNNXBMFYSA-N -1 1 341.407 2.940 10 10 EFCEMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@@H]1CCCO1 ZINC000151743478 725821064 /nfs/dbraw/zinc/82/10/64/725821064.db2.gz CMGVFSNYTKPLMG-HNNXBMFYSA-N -1 1 341.407 2.940 10 10 EFCEMM O=C(NCCOc1ccccc1Cl)c1c(F)ccc(O)c1[O-] ZINC001648676432 1092252112 /nfs/dbraw/zinc/25/21/12/1092252112.db2.gz MMRWOWQADVPTHO-UHFFFAOYSA-N -1 1 325.723 2.699 10 10 EFCEMM Cn1cc(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])cn1 ZINC001648694174 1092256329 /nfs/dbraw/zinc/25/63/29/1092256329.db2.gz HYVMHRSQQBGAPX-UHFFFAOYSA-N -1 1 341.342 2.567 10 10 EFCEMM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c([O-])c(O)ccc1F ZINC001650971608 1093514600 /nfs/dbraw/zinc/51/46/00/1093514600.db2.gz LCRJBGDNHWJPHY-WRWORJQWSA-N -1 1 341.260 2.940 10 10 EFCEMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(N2CCOCC2)cc1 ZINC001597916045 1094640543 /nfs/dbraw/zinc/64/05/43/1094640543.db2.gz XVVWIOKSKBHKJY-ZDUSSCGKSA-N -1 1 344.386 2.859 10 10 EFCEMM CCOc1ccc(N2CCN(C(=O)c3cccc([O-])c3F)CC2)cc1 ZINC001630992849 1100359095 /nfs/dbraw/zinc/35/90/95/1100359095.db2.gz ZFEOHUBZIFAGOS-UHFFFAOYSA-N -1 1 344.386 2.892 10 10 EFCEMM CCOc1cc(C(=O)NCc2cc(O)ccc2O)cc(Cl)c1[O-] ZINC001637122212 1100758288 /nfs/dbraw/zinc/75/82/88/1100758288.db2.gz BPKTZESPUOHJAT-UHFFFAOYSA-N -1 1 337.759 2.786 10 10 EFCEMM CCc1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC001640087893 1101012932 /nfs/dbraw/zinc/01/29/32/1101012932.db2.gz MFEBNAAUGXSDNN-UHFFFAOYSA-N -1 1 325.162 2.635 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(-n2ccnn2)c1 ZINC001640405433 1101043165 /nfs/dbraw/zinc/04/31/65/1101043165.db2.gz UMKXUXWGTMOUCP-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM O=C(NCc1sccc1Br)c1c(F)ccc(O)c1[O-] ZINC001641513420 1101142682 /nfs/dbraw/zinc/14/26/82/1101142682.db2.gz FLJGPOBIPISASA-UHFFFAOYSA-N -1 1 346.177 2.991 10 10 EFCEMM Cc1cc(C(=O)N(C)c2nn[n-]n2)c(C)n1-c1cccc(Cl)c1 ZINC001642427091 1101212871 /nfs/dbraw/zinc/21/28/71/1101212871.db2.gz MDVYGGXGPDSQDI-UHFFFAOYSA-N -1 1 330.779 2.537 10 10 EFCEMM O=C(COC(=O)C12CC(c3ccccc3)(C1)C2)c1ccc([O-])c(O)c1 ZINC000784927328 1101318834 /nfs/dbraw/zinc/31/88/34/1101318834.db2.gz MJWDKUORLOCZHA-UHFFFAOYSA-N -1 1 338.359 2.946 10 10 EFCEMM CC[C@H](C)n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000784940507 1101425991 /nfs/dbraw/zinc/42/59/91/1101425991.db2.gz YVYYXBQNGPBPSN-JTQLQIEISA-N -1 1 332.356 2.613 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1-n1ccnn1 ZINC001653567070 1101633105 /nfs/dbraw/zinc/63/31/05/1101633105.db2.gz IZKCLZGPPDHKNA-UHFFFAOYSA-N -1 1 328.759 2.556 10 10 EFCEMM Cc1ccccc1-c1nc(CNC(=O)c2c(F)ccc(O)c2[O-])no1 ZINC001654408957 1101712487 /nfs/dbraw/zinc/71/24/87/1101712487.db2.gz APWNISFMKVQTSJ-UHFFFAOYSA-N -1 1 343.314 2.525 10 10 EFCEMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771577 240262292 /nfs/dbraw/zinc/26/22/92/240262292.db2.gz RXIYIIJCMYBIGV-XHDPSFHLSA-N -1 1 345.270 2.852 10 10 EFCEMM CCOCc1nc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])no1 ZINC000290276341 474564027 /nfs/dbraw/zinc/56/40/27/474564027.db2.gz WRZPGELHXCWUGE-GHMZBOCLSA-N -1 1 349.387 2.510 10 10 EFCEMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000276571143 474565828 /nfs/dbraw/zinc/56/58/28/474565828.db2.gz KKNYCQKUTZTKDQ-NHYWBVRUSA-N -1 1 331.343 2.839 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCO[C@]3(CCCOC3)C2)c1[O-] ZINC000285393897 475003921 /nfs/dbraw/zinc/00/39/21/475003921.db2.gz SQBQSVUFJMXDPQ-QGZVFWFLSA-N -1 1 339.819 2.630 10 10 EFCEMM O=C(NC1CCN(c2ccccc2)CC1)c1c([O-])c(O)ccc1F ZINC000294760159 475081594 /nfs/dbraw/zinc/08/15/94/475081594.db2.gz DYXPSZMAPHZJMZ-UHFFFAOYSA-N -1 1 330.359 2.636 10 10 EFCEMM CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000373587212 476416043 /nfs/dbraw/zinc/41/60/43/476416043.db2.gz WFLMQHTULHOZPY-KBPBESRZSA-N -1 1 327.808 2.588 10 10 EFCEMM COc1c([O-])c(CN2CCCC[C@@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000365815632 536860841 /nfs/dbraw/zinc/86/08/41/536860841.db2.gz GTKQHQBPMFWRPQ-CYBMUJFWSA-N -1 1 348.359 2.728 10 10 EFCEMM C[C@@H](NCc1ccn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756776823 575786157 /nfs/dbraw/zinc/78/61/57/575786157.db2.gz DUOUJLXEUZHVIN-MRVPVSSYSA-N -1 1 328.185 2.878 10 10 EFCEMM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756801658 575788053 /nfs/dbraw/zinc/78/80/53/575788053.db2.gz BSFQXUGIIPYQOG-LLVKDONJSA-N -1 1 347.365 2.780 10 10 EFCEMM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756801660 575788089 /nfs/dbraw/zinc/78/80/89/575788089.db2.gz BSFQXUGIIPYQOG-NSHDSACASA-N -1 1 347.365 2.780 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000765727871 577070827 /nfs/dbraw/zinc/07/08/27/577070827.db2.gz QGMKXRDSRWFWEA-SNVBAGLBSA-N -1 1 342.233 2.834 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000765727869 577070873 /nfs/dbraw/zinc/07/08/73/577070873.db2.gz QGMKXRDSRWFWEA-JTQLQIEISA-N -1 1 342.233 2.834 10 10 EFCEMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765731023 577071141 /nfs/dbraw/zinc/07/11/41/577071141.db2.gz WVWAYVBJXOOKLM-SNVBAGLBSA-N -1 1 335.201 2.970 10 10 EFCEMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765731019 577071179 /nfs/dbraw/zinc/07/11/79/577071179.db2.gz WVWAYVBJXOOKLM-JTQLQIEISA-N -1 1 335.201 2.970 10 10 EFCEMM O=C(COC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccc([O-])c(O)c1 ZINC000923426103 1261634104 /nfs/dbraw/zinc/63/41/04/1261634104.db2.gz NAHLZYKLDGCFBP-CYBMUJFWSA-N -1 1 334.368 2.563 10 10 EFCEMM COc1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC000825305777 1278500381 /nfs/dbraw/zinc/50/03/81/1278500381.db2.gz RLUGROTUHRCXSX-UHFFFAOYSA-N -1 1 333.819 2.771 10 10 EFCEMM O=C(Cc1cnc2ccccc2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000788987669 1276428686 /nfs/dbraw/zinc/42/86/86/1276428686.db2.gz APNIGECZSWQURR-UHFFFAOYSA-N -1 1 337.331 2.615 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818330154 1276507448 /nfs/dbraw/zinc/50/74/48/1276507448.db2.gz OMTYACCXJBAAMC-XPTSAGLGSA-N -1 1 325.792 2.933 10 10 EFCEMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818330154 1276507455 /nfs/dbraw/zinc/50/74/55/1276507455.db2.gz OMTYACCXJBAAMC-XPTSAGLGSA-N -1 1 325.792 2.933 10 10 EFCEMM C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631634 1276541115 /nfs/dbraw/zinc/54/11/15/1276541115.db2.gz LTWINCHSTALUFI-CABZTGNLSA-N -1 1 328.206 2.840 10 10 EFCEMM CC(C)C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000818630673 1276541912 /nfs/dbraw/zinc/54/19/12/1276541912.db2.gz ZTHNXNJAIAUWFQ-LLVKDONJSA-N -1 1 330.222 2.991 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CCC(F)(c2ccccn2)CC1 ZINC000846652325 1280365625 /nfs/dbraw/zinc/36/56/25/1280365625.db2.gz NAHGELRTYYUJIE-UHFFFAOYSA-N -1 1 334.322 2.733 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ncc(Br)cn1 ZINC001180419959 1289530848 /nfs/dbraw/zinc/53/08/48/1289530848.db2.gz GWMYFQCWWDGWDG-UHFFFAOYSA-N -1 1 342.580 2.528 10 10 EFCEMM O=C(COC(=O)c1cc(O)c2ccccc2c1)c1ccc([O-])c(O)c1 ZINC000795681797 1291178242 /nfs/dbraw/zinc/17/82/42/1291178242.db2.gz LERGMWWEHLEDNL-UHFFFAOYSA-N -1 1 338.315 2.996 10 10 EFCEMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000853597613 1300184368 /nfs/dbraw/zinc/18/43/68/1300184368.db2.gz KMALALSFVMDHKI-UHFFFAOYSA-N -1 1 339.391 2.551 10 10 EFCEMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC000853597613 1300184373 /nfs/dbraw/zinc/18/43/73/1300184373.db2.gz KMALALSFVMDHKI-UHFFFAOYSA-N -1 1 339.391 2.551 10 10 EFCEMM COc1ccc(N2CC[C@H](NC(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000855226930 1300849081 /nfs/dbraw/zinc/84/90/81/1300849081.db2.gz UVOBSDJHHJKDBU-NSHDSACASA-N -1 1 348.349 2.688 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC001159034054 1311438536 /nfs/dbraw/zinc/43/85/36/1311438536.db2.gz PXESNRJSKDYXDI-UHFFFAOYSA-N -1 1 346.770 2.932 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305070013 1324671955 /nfs/dbraw/zinc/67/19/55/1324671955.db2.gz WUJZPHAWGFIHKZ-ZDUSSCGKSA-N -1 1 344.798 2.715 10 10 EFCEMM COC(=O)/C=C\c1ccc(C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001305083743 1324672154 /nfs/dbraw/zinc/67/21/54/1324672154.db2.gz BHVKPFGAWGWGAS-VURMDHGXSA-N -1 1 335.743 2.755 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CC(Cc2c(F)cccc2F)C1 ZINC001306670860 1324718099 /nfs/dbraw/zinc/71/80/99/1324718099.db2.gz NIVGGPFSEITVKI-UHFFFAOYSA-N -1 1 337.297 2.830 10 10 EFCEMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(-n2ccnc2)cc1 ZINC001306755027 1324720267 /nfs/dbraw/zinc/72/02/67/1324720267.db2.gz QONPNMUKGYQJBA-LLVKDONJSA-N -1 1 341.342 2.914 10 10 EFCEMM C[C@H](NCc1nc(CN(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903223158 1324826561 /nfs/dbraw/zinc/82/65/61/1324826561.db2.gz VXNIIUPLYOJGOD-JTQLQIEISA-N -1 1 336.417 2.669 10 10 EFCEMM CC[C@H](NCC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062879 1324863133 /nfs/dbraw/zinc/86/31/33/1324863133.db2.gz WWNFVXAPVTXUNP-NFAHFFEMSA-N -1 1 328.416 2.928 10 10 EFCEMM CO[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001320907975 1329317709 /nfs/dbraw/zinc/31/77/09/1329317709.db2.gz OVIPHKLPHCPGHH-MNOVXSKESA-N -1 1 343.221 2.521 10 10 EFCEMM CO[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001320907976 1329317785 /nfs/dbraw/zinc/31/77/85/1329317785.db2.gz OVIPHKLPHCPGHH-QWRGUYRKSA-N -1 1 343.221 2.521 10 10 EFCEMM CO[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC001320907977 1329317854 /nfs/dbraw/zinc/31/78/54/1329317854.db2.gz OVIPHKLPHCPGHH-WDEREUQCSA-N -1 1 343.221 2.521 10 10 EFCEMM CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1c1ccc(F)cc1 ZINC001324417693 1329625421 /nfs/dbraw/zinc/62/54/21/1329625421.db2.gz OHFOUTYPBNFHNM-CZUORRHYSA-N -1 1 348.349 2.551 10 10 EFCEMM COCCCn1ccc(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001332937772 1331050158 /nfs/dbraw/zinc/05/01/58/1331050158.db2.gz MPXYMWDKXKPYRY-UHFFFAOYSA-N -1 1 338.795 2.600 10 10 EFCEMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(F)c([O-])c3)C2)cc1 ZINC001469282395 1397017897 /nfs/dbraw/zinc/01/78/97/1397017897.db2.gz QYPFZNSENOAVCR-ZDUSSCGKSA-N -1 1 344.386 2.796 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCn3c(C)nnc3[C@@H]2C)c1[O-] ZINC001473904896 1397349619 /nfs/dbraw/zinc/34/96/19/1397349619.db2.gz ABXIWBRQTNCISH-VIFPVBQESA-N -1 1 334.807 2.725 10 10 EFCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(-c2ccncc2)n1 ZINC001558756899 1415199957 /nfs/dbraw/zinc/19/99/57/1415199957.db2.gz GYDYDYZEYCUGNF-UHFFFAOYSA-N -1 1 342.786 2.771 10 10 EFCEMM O=C(NCCc1coc(-c2ccccc2)n1)c1c(F)ccc(O)c1[O-] ZINC001558924696 1415211914 /nfs/dbraw/zinc/21/19/14/1415211914.db2.gz GQJRPNLNBSTPPS-UHFFFAOYSA-N -1 1 342.326 2.864 10 10 EFCEMM CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762479 713449282 /nfs/dbraw/zinc/44/92/82/713449282.db2.gz DPVFZOBOLDBEPU-WDEREUQCSA-N -1 1 325.792 2.641 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000781908665 716422671 /nfs/dbraw/zinc/42/26/71/716422671.db2.gz KUBKPSBZADFKSS-FDMGOTLNSA-N -1 1 346.290 2.804 10 10 EFCEMM Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467783 717468168 /nfs/dbraw/zinc/46/81/68/717468168.db2.gz GPCXEXVVEPGRRY-LBPRGKRZSA-N -1 1 337.221 2.583 10 10 EFCEMM CC(=O)N(c1nc(CNCc2c([O-])cccc2F)cs1)C1CC1 ZINC000896640693 723420450 /nfs/dbraw/zinc/42/04/50/723420450.db2.gz MEGAYIQUIRRYMC-UHFFFAOYSA-N -1 1 335.404 2.793 10 10 EFCEMM CCOc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753014976 725531775 /nfs/dbraw/zinc/53/17/75/725531775.db2.gz DMMYVWLMFIOIQP-UHFFFAOYSA-N -1 1 329.324 2.870 10 10 EFCEMM O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001647827038 1089887924 /nfs/dbraw/zinc/88/79/24/1089887924.db2.gz UHYBKELNHCAHPH-UHFFFAOYSA-N -1 1 335.747 2.682 10 10 EFCEMM CC(=O)Nc1cccc(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001647830435 1089891142 /nfs/dbraw/zinc/89/11/42/1089891142.db2.gz WQXGEWBRRVDCDW-UHFFFAOYSA-N -1 1 332.787 2.863 10 10 EFCEMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c(N)c([N+](=O)[O-])c1 ZINC001647830282 1089891200 /nfs/dbraw/zinc/89/12/00/1089891200.db2.gz QGXPQYCANFMEJE-UHFFFAOYSA-N -1 1 335.747 2.774 10 10 EFCEMM CN1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc2C1=O ZINC001647830295 1089892577 /nfs/dbraw/zinc/89/25/77/1089892577.db2.gz QQRCOOPJZHPLMP-AWEZNQCLSA-N -1 1 344.798 2.531 10 10 EFCEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2cc(O)c(O)cc2s1 ZINC001648438680 1092217865 /nfs/dbraw/zinc/21/78/65/1092217865.db2.gz UDEZXBRTYHXRGE-UHFFFAOYSA-N -1 1 344.274 2.702 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001648606673 1092238307 /nfs/dbraw/zinc/23/83/07/1092238307.db2.gz VOGOXFFTXYCLFY-HNNXBMFYSA-N -1 1 348.761 2.994 10 10 EFCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC001648606172 1092238467 /nfs/dbraw/zinc/23/84/67/1092238467.db2.gz KAIOOXXFKUGCKU-UHFFFAOYSA-N -1 1 333.697 2.728 10 10 EFCEMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1-n1cncn1 ZINC001606861183 1097463696 /nfs/dbraw/zinc/46/36/96/1097463696.db2.gz XYOURRFMUVTIET-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001606868828 1097464277 /nfs/dbraw/zinc/46/42/77/1097464277.db2.gz RAKKUIUCOUICGY-KZULUSFZSA-N -1 1 342.782 2.572 10 10 EFCEMM CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])[C@H](C)C1 ZINC000781912338 1098701555 /nfs/dbraw/zinc/70/15/55/1098701555.db2.gz PFMWWQUYFYQZOX-LLVKDONJSA-N -1 1 341.249 2.516 10 10 EFCEMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611090730 1098979556 /nfs/dbraw/zinc/97/95/56/1098979556.db2.gz WIRFJJXXLKPNOZ-ABKXIKBNSA-N -1 1 337.322 2.882 10 10 EFCEMM C[C@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001611667292 1099029579 /nfs/dbraw/zinc/02/95/79/1099029579.db2.gz WTUZKDQTNYDFHG-LLVKDONJSA-N -1 1 325.380 2.952 10 10 EFCEMM O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(Cl)c1[O-] ZINC001633881889 1100571926 /nfs/dbraw/zinc/57/19/26/1100571926.db2.gz IJRMMANHXCDIMC-UHFFFAOYSA-N -1 1 349.774 2.996 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccn(CC(F)(F)F)n1 ZINC001637232045 1100765844 /nfs/dbraw/zinc/76/58/44/1100765844.db2.gz HGTPFWXWKNHUIO-UHFFFAOYSA-N -1 1 333.697 2.734 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cn(Cc2ccccc2)nn1 ZINC001637227190 1100766325 /nfs/dbraw/zinc/76/63/25/1100766325.db2.gz QPVYFELUIBFVQK-UHFFFAOYSA-N -1 1 342.786 2.615 10 10 EFCEMM O=C(NC[C@@H](O)c1cc2ccccc2s1)c1c(F)ccc(O)c1[O-] ZINC001638459642 1100860893 /nfs/dbraw/zinc/86/08/93/1100860893.db2.gz QPGASBXPHKMLJM-GFCCVEGCSA-N -1 1 347.367 2.915 10 10 EFCEMM O=C(NC[C@H](O)c1cc2ccccc2s1)c1c(F)ccc(O)c1[O-] ZINC001638459643 1100860948 /nfs/dbraw/zinc/86/09/48/1100860948.db2.gz QPGASBXPHKMLJM-LBPRGKRZSA-N -1 1 347.367 2.915 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC001640402328 1101043620 /nfs/dbraw/zinc/04/36/20/1101043620.db2.gz QAFWIPKOIRKZKF-LBPRGKRZSA-N -1 1 330.771 2.788 10 10 EFCEMM CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001640401885 1101043654 /nfs/dbraw/zinc/04/36/54/1101043654.db2.gz FXISRMIGYZLAIH-ZDUSSCGKSA-N -1 1 344.798 2.812 10 10 EFCEMM O=C(NC[C@@H]1CSc2ccccc2O1)c1c(F)ccc(O)c1[O-] ZINC001641668563 1101155857 /nfs/dbraw/zinc/15/58/57/1101155857.db2.gz IMHVCCZIIYZTKS-SECBINFHSA-N -1 1 335.356 2.520 10 10 EFCEMM COc1ccc(N2CC[C@@H](CNC(=O)c3cccc([O-])c3F)C2)cc1 ZINC001643347442 1101291584 /nfs/dbraw/zinc/29/15/84/1101291584.db2.gz ZPZGWPXFTNKHNX-ZDUSSCGKSA-N -1 1 344.386 2.796 10 10 EFCEMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])nnn1-c1ccccc1 ZINC001653563985 1101632173 /nfs/dbraw/zinc/63/21/73/1101632173.db2.gz VMXNDJRMLUQNSU-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001653563651 1101632430 /nfs/dbraw/zinc/63/24/30/1101632430.db2.gz HTCWXVKVGWMEQX-VIFPVBQESA-N -1 1 338.816 2.542 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(-n2cc[nH]c2=O)c1 ZINC001653566856 1101632701 /nfs/dbraw/zinc/63/27/01/1101632701.db2.gz CMDGMALMOLUJPT-UHFFFAOYSA-N -1 1 343.770 2.867 10 10 EFCEMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])NC(=O)c1ccccc1 ZINC001653563882 1101632742 /nfs/dbraw/zinc/63/27/42/1101632742.db2.gz QZWNULMEGWUBJN-LBPRGKRZSA-N -1 1 346.814 2.870 10 10 EFCEMM Cc1nc(C(=O)NCc2cccc(Cl)c2[O-])nn1-c1ccccc1 ZINC001653567266 1101632759 /nfs/dbraw/zinc/63/27/59/1101632759.db2.gz ROGCOTDNNHJJOY-UHFFFAOYSA-N -1 1 342.786 2.865 10 10 EFCEMM Cn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3[O-])o2)cn1 ZINC001653567334 1101632941 /nfs/dbraw/zinc/63/29/41/1101632941.db2.gz VFQILUAIIIRBIY-UHFFFAOYSA-N -1 1 331.759 2.969 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1Cc2ccccc2O1 ZINC001672752140 1105895643 /nfs/dbraw/zinc/89/56/43/1105895643.db2.gz QLPLRHHLHUCJIA-CYBMUJFWSA-N -1 1 332.787 2.849 10 10 EFCEMM Cc1nc(CC(C)C)oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784910413 1108729455 /nfs/dbraw/zinc/72/94/55/1108729455.db2.gz LTSIXMNFUYLPET-UHFFFAOYSA-N -1 1 333.340 2.632 10 10 EFCEMM CC1(C)OCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000297908185 534998949 /nfs/dbraw/zinc/99/89/49/534998949.db2.gz TUINHEYBXVPJHB-LLVKDONJSA-N -1 1 343.221 2.521 10 10 EFCEMM COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000032810011 472470425 /nfs/dbraw/zinc/47/04/25/472470425.db2.gz XSQIUGLVKZOYFO-UHFFFAOYSA-N -1 1 332.356 2.950 10 10 EFCEMM Cc1nc([C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)n[nH]1 ZINC000180111963 473801929 /nfs/dbraw/zinc/80/19/29/473801929.db2.gz LAHLITMVVJLERI-GFCCVEGCSA-N -1 1 343.214 2.699 10 10 EFCEMM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000293538305 475027708 /nfs/dbraw/zinc/02/77/08/475027708.db2.gz FQYXRPPLSITAKD-UHFFFAOYSA-N -1 1 329.799 2.814 10 10 EFCEMM COc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294782976 475083841 /nfs/dbraw/zinc/08/38/41/475083841.db2.gz CULRAAUQGYGFIA-SNVBAGLBSA-N -1 1 349.358 2.615 10 10 EFCEMM CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000367830442 477708485 /nfs/dbraw/zinc/70/84/85/477708485.db2.gz CFDRKGYBOUMLMY-CYBMUJFWSA-N -1 1 331.865 2.835 10 10 EFCEMM CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000367830443 477708685 /nfs/dbraw/zinc/70/86/85/477708685.db2.gz CFDRKGYBOUMLMY-ZDUSSCGKSA-N -1 1 331.865 2.835 10 10 EFCEMM COc1c([O-])c(CN2CCCC[C@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000365815634 536861376 /nfs/dbraw/zinc/86/13/76/536861376.db2.gz GTKQHQBPMFWRPQ-ZDUSSCGKSA-N -1 1 348.359 2.728 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2CCO)c1[O-] ZINC000759726069 575927041 /nfs/dbraw/zinc/92/70/41/575927041.db2.gz CIAQUZIEMDKPRY-ZDUSSCGKSA-N -1 1 329.849 2.548 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000763646700 576383802 /nfs/dbraw/zinc/38/38/02/576383802.db2.gz AFDSTXWCDCSBAC-NSPYISDASA-N -1 1 346.290 2.664 10 10 EFCEMM Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824726609 1278263713 /nfs/dbraw/zinc/26/37/13/1278263713.db2.gz POSDYOBLEGWQHU-CYBMUJFWSA-N -1 1 336.176 2.665 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1 ZINC000792192803 1278633855 /nfs/dbraw/zinc/63/38/55/1278633855.db2.gz QNMRPGOAKOHJHW-QWRGUYRKSA-N -1 1 346.290 2.804 10 10 EFCEMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1c1cccs1)cc2=O ZINC000846229979 1280077555 /nfs/dbraw/zinc/07/75/55/1280077555.db2.gz CCJPMWYFWNYSRU-GFCCVEGCSA-N -1 1 344.396 2.532 10 10 EFCEMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000846660605 1280373793 /nfs/dbraw/zinc/37/37/93/1280373793.db2.gz XEGPBIGZSUFILA-UHFFFAOYSA-N -1 1 337.244 2.744 10 10 EFCEMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1ccoc1C(F)(F)F ZINC000811442557 1284318420 /nfs/dbraw/zinc/31/84/20/1284318420.db2.gz MGXAWLJKDJNUGU-UHFFFAOYSA-N -1 1 330.214 2.749 10 10 EFCEMM O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000803736422 1313074920 /nfs/dbraw/zinc/07/49/20/1313074920.db2.gz KGXGOBRLLSYKOQ-ZJUUUORDSA-N -1 1 332.274 2.802 10 10 EFCEMM CCO[C@@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CC1 ZINC000863411263 1302603512 /nfs/dbraw/zinc/60/35/12/1302603512.db2.gz VVZJERIYQNYTKZ-ZDUSSCGKSA-N -1 1 337.800 2.742 10 10 EFCEMM O=C(NCc1cccc(Br)c1[O-])[C@]12CCC[C@H]1OCC2 ZINC000867830733 1303975324 /nfs/dbraw/zinc/97/53/24/1303975324.db2.gz HCVVGQSSNZEJEB-DOMZBBRYSA-N -1 1 340.217 2.730 10 10 EFCEMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000867830531 1303975429 /nfs/dbraw/zinc/97/54/29/1303975429.db2.gz BHVYIKVJGOKXRA-KKZNHRDASA-N -1 1 328.206 2.584 10 10 EFCEMM CS[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000868987192 1304562490 /nfs/dbraw/zinc/56/24/90/1304562490.db2.gz IZTSFAPORIDAKT-MGCOHNPYSA-N -1 1 345.262 2.848 10 10 EFCEMM Cn1cc(-c2cncc(C(=O)NCc3cccc(Cl)c3[O-])c2)cn1 ZINC001159033748 1311438628 /nfs/dbraw/zinc/43/86/28/1311438628.db2.gz NIHOPPPNQVQSBA-UHFFFAOYSA-N -1 1 342.786 2.771 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-n2ccnc2)ccc1O ZINC001159041538 1311439800 /nfs/dbraw/zinc/43/98/00/1311439800.db2.gz QYPZEMWLISUXRI-UHFFFAOYSA-N -1 1 343.770 2.867 10 10 EFCEMM CCOC(CC(=O)NCc1cccc(Br)c1[O-])OCC ZINC000803214156 1312374187 /nfs/dbraw/zinc/37/41/87/1312374187.db2.gz NYYACGHEMHOWSK-UHFFFAOYSA-N -1 1 346.221 2.560 10 10 EFCEMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](O)C(F)(F)C2)c1 ZINC000826957761 1315538983 /nfs/dbraw/zinc/53/89/83/1315538983.db2.gz GGZYWAFNSRGVTA-LLVKDONJSA-N -1 1 336.176 2.665 10 10 EFCEMM COC(=O)COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001305069904 1324671146 /nfs/dbraw/zinc/67/11/46/1324671146.db2.gz UIDFQHTWCXYLLM-UHFFFAOYSA-N -1 1 349.770 2.527 10 10 EFCEMM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c1[O-] ZINC001307878737 1324784024 /nfs/dbraw/zinc/78/40/24/1324784024.db2.gz XCQCRGJNPSWATC-GARJFASQSA-N -1 1 338.835 2.688 10 10 EFCEMM CC[C@H](NCC=Cc1ccc(N(C)C)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904062880 1324862669 /nfs/dbraw/zinc/86/26/69/1324862669.db2.gz WWNFVXAPVTXUNP-YVACAVLKSA-N -1 1 328.416 2.928 10 10 EFCEMM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001324471294 1329631055 /nfs/dbraw/zinc/63/10/55/1329631055.db2.gz KNHAISQCSBNFBQ-KSSFIOAISA-N -1 1 331.343 2.706 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001457036358 1394934438 /nfs/dbraw/zinc/93/44/38/1394934438.db2.gz GHNRPZINKUJHPM-LBPRGKRZSA-N -1 1 348.761 2.927 10 10 EFCEMM O=C(NCc1cccc(Cl)c1[O-])c1cnc2ccccc2c1O ZINC001457037216 1394934692 /nfs/dbraw/zinc/93/46/92/1394934692.db2.gz KDXILBKWAIVHTO-UHFFFAOYSA-N -1 1 328.755 2.817 10 10 EFCEMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(F)c([O-])c3)C2)cc1 ZINC001469282394 1397018027 /nfs/dbraw/zinc/01/80/27/1397018027.db2.gz QYPFZNSENOAVCR-CYBMUJFWSA-N -1 1 344.386 2.796 10 10 EFCEMM O=C(NCc1c(O)cccc1O)c1ccc2ccc(O)cc2c1[O-] ZINC001558536417 1415186922 /nfs/dbraw/zinc/18/69/22/1415186922.db2.gz XLFOLUUAMFUTEZ-UHFFFAOYSA-N -1 1 325.320 2.592 10 10 EFCEMM CC(=O)N1CCc2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc21 ZINC001558756985 1415199394 /nfs/dbraw/zinc/19/93/94/1415199394.db2.gz KHPCERKSDSNQFA-UHFFFAOYSA-N -1 1 344.798 2.885 10 10 EFCEMM O=C(Cn1ccc(=O)c2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001558756845 1415199638 /nfs/dbraw/zinc/19/96/38/1415199638.db2.gz DQVJYQZSXHAPPV-UHFFFAOYSA-N -1 1 342.782 2.677 10 10 EFCEMM O=C1CC2(CCC2)N(Cc2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC000895927729 724397761 /nfs/dbraw/zinc/39/77/61/724397761.db2.gz ATPIIUHBGAANFJ-UHFFFAOYSA-N -1 1 329.227 2.944 10 10 EFCEMM