smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(O)cc(Br)cc1C(F)(F)F ZINC000218247523 348166703 /nfs/dbraw/zinc/16/67/03/348166703.db2.gz XPAWJVPFPOANGE-UHFFFAOYSA-N -1 3 257.005 2.879 10 10 CFCEHM N[C@H](CF)c1c([O-])c(Cl)ccc1Br ZINC000306987125 348394319 /nfs/dbraw/zinc/39/43/19/348394319.db2.gz YGPBODPPVXCEDV-ZCFIWIBFSA-N -1 3 268.513 2.777 10 10 CFCEHM C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1[O-] ZINC000180209209 380633578 /nfs/dbraw/zinc/63/35/78/380633578.db2.gz ARNGJTSBNFCVAG-SNVBAGLBSA-N -1 3 283.343 2.693 10 10 CFCEHM CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)C2)c1[O-] ZINC000079413954 518286622 /nfs/dbraw/zinc/28/66/22/518286622.db2.gz NQXRUTPAWROQCK-VIFPVBQESA-N -1 3 283.368 2.671 10 10 CFCEHM CC[C@@H]1CO[C@H](C)CN1Cc1cccc(F)c1[O-] ZINC000160192019 523517770 /nfs/dbraw/zinc/51/77/70/523517770.db2.gz CPKZDBIBJSLEHA-ZYHUDNBSSA-N -1 3 253.317 2.531 10 10 CFCEHM CC1(C)C(c2ccccc2)=[N+]([O-])[C@@H](c2ccccc2[O-])N1O ZINC000140413994 347925580 /nfs/dbraw/zinc/92/55/80/347925580.db2.gz ZDXHVBOMPRRMMQ-MRXNPFEDSA-O -1 3 299.350 2.765 10 10 CFCEHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000272301746 385504615 /nfs/dbraw/zinc/50/46/15/385504615.db2.gz PWDNYBWNGXHGNG-CMPLNLGQSA-N -1 3 253.317 2.531 10 10 CFCEHM CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1ccccc1[O-] ZINC000156710246 394337791 /nfs/dbraw/zinc/33/77/91/394337791.db2.gz DTNKXSRBKHMTHG-KBPBESRZSA-N -1 3 286.379 2.868 10 10 CFCEHM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000177665833 380364296 /nfs/dbraw/zinc/36/42/96/380364296.db2.gz VGHXHLVUEPFHGK-SNVBAGLBSA-N -1 3 275.304 2.799 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000179942926 380602229 /nfs/dbraw/zinc/60/22/29/380602229.db2.gz NPINTIQFINFXQE-DZGCQCFKSA-N -1 3 265.328 2.675 10 10 CFCEHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000184670410 381459130 /nfs/dbraw/zinc/45/91/30/381459130.db2.gz SJXKUUWZJCATTR-NXEZZACHSA-N -1 3 285.771 2.663 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000186096908 381822820 /nfs/dbraw/zinc/82/28/20/381822820.db2.gz HHNJNNWKOSJEMI-BXUZGUMPSA-N -1 3 286.379 2.786 10 10 CFCEHM CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccccc1[O-] ZINC000156710116 394338037 /nfs/dbraw/zinc/33/80/37/394338037.db2.gz DTNKXSRBKHMTHG-ZIAGYGMSSA-N -1 3 286.379 2.868 10 10 CFCEHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CC(C)(C)O1 ZINC000160215545 525006092 /nfs/dbraw/zinc/00/60/92/525006092.db2.gz ICVHXSTXSQMUAM-SNVBAGLBSA-N -1 3 253.317 2.531 10 10 CFCEHM [O-]c1c(F)cccc1CNc1ccc2c(c1)OCCO2 ZINC000164930569 622975143 /nfs/dbraw/zinc/97/51/43/622975143.db2.gz AKZWFELQTOTQRR-UHFFFAOYSA-N -1 3 275.279 2.915 10 10 CFCEHM Cc1cnc([C@@H](C)NCc2cccc(F)c2[O-])o1 ZINC000231530677 623355224 /nfs/dbraw/zinc/35/52/24/623355224.db2.gz KMJKGFXVQJDBJF-SECBINFHSA-N -1 3 250.273 2.679 10 10 CFCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000126256610 643080566 /nfs/dbraw/zinc/08/05/66/643080566.db2.gz WDDRPGWAMLAFII-QMMMGPOBSA-N -1 3 263.318 2.650 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000186096957 282101145 /nfs/dbraw/zinc/10/11/45/282101145.db2.gz HHNJNNWKOSJEMI-FZMZJTMJSA-N -1 3 286.379 2.786 10 10 CFCEHM [O-]c1ccc(Br)cc1[C@H](NO)C(F)(F)F ZINC000308760036 348405637 /nfs/dbraw/zinc/40/56/37/348405637.db2.gz IWKFTFIJLOBSQF-ZETCQYMHSA-N -1 3 286.047 2.737 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186096412 381822998 /nfs/dbraw/zinc/82/29/98/381822998.db2.gz SRGPXHHMTRUNDK-ZANVPECISA-N -1 3 290.342 2.617 10 10 CFCEHM CC[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000272301749 385504294 /nfs/dbraw/zinc/50/42/94/385504294.db2.gz PWDNYBWNGXHGNG-PWSUYJOCSA-N -1 3 253.317 2.531 10 10 CFCEHM [O-]c1ccc(F)cc1CN[C@H]1COc2ccccc21 ZINC000226607624 526351653 /nfs/dbraw/zinc/35/16/53/526351653.db2.gz BMFKHQABBWITMS-ZDUSSCGKSA-N -1 3 259.280 2.755 10 10 CFCEHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000126379198 643186406 /nfs/dbraw/zinc/18/64/06/643186406.db2.gz PMPNILZZOKJLBC-CYBMUJFWSA-N -1 3 271.316 2.979 10 10 CFCEHM COc1cc(O)c([O-])c(Cl)c1Br ZINC000095564336 185010320 /nfs/dbraw/zinc/01/03/20/185010320.db2.gz RWYOWZGBPWRWNX-UHFFFAOYSA-N -1 3 253.479 2.522 10 10 CFCEHM COc1cc([O-])c(O)c(Cl)c1Br ZINC000095564336 185010321 /nfs/dbraw/zinc/01/03/21/185010321.db2.gz RWYOWZGBPWRWNX-UHFFFAOYSA-N -1 3 253.479 2.522 10 10 CFCEHM [O-]c1c(O)cc(OC(F)(F)F)cc1Br ZINC000575686266 382787686 /nfs/dbraw/zinc/78/76/86/382787686.db2.gz KRPHTJRYGOHMKE-UHFFFAOYSA-N -1 3 273.004 2.759 10 10 CFCEHM [O-]c1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1 ZINC000020390143 171178890 /nfs/dbraw/zinc/17/88/90/171178890.db2.gz IDGMXKDATHDEBA-CQSZACIVSA-N -1 3 256.280 2.970 10 10 CFCEHM CC(C)(C)[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000280382876 518981189 /nfs/dbraw/zinc/98/11/89/518981189.db2.gz FPGBPTAYPYYBLB-CYBMUJFWSA-N -1 3 267.344 2.778 10 10 CFCEHM O=C(N[C@@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000114427446 635833357 /nfs/dbraw/zinc/83/33/57/635833357.db2.gz KGAOBKXKPGFHBN-CQSZACIVSA-N -1 3 283.327 2.905 10 10 CFCEHM Cc1nc(CNCc2cccc(F)c2[O-])cs1 ZINC000158734081 650235061 /nfs/dbraw/zinc/23/50/61/650235061.db2.gz NMZOTPNJYABQPY-UHFFFAOYSA-N -1 3 252.314 2.586 10 10 CFCEHM COc1c(=O)c2ccccc2oc1-c1ccc([O-])c(O)c1 ZINC000014807377 372074370 /nfs/dbraw/zinc/07/43/70/372074370.db2.gz XPYKQSORRZRFLQ-UHFFFAOYSA-N -1 3 284.267 2.880 10 10 CFCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1[O-] ZINC000183552225 381288038 /nfs/dbraw/zinc/28/80/38/381288038.db2.gz JJPLLDLIWRLDJC-AAEUAGOBSA-N -1 3 286.379 2.732 10 10 CFCEHM [O-]c1ccccc1C1=NN[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000001504629 169710320 /nfs/dbraw/zinc/71/03/20/169710320.db2.gz JWUCYCKGRWIJSK-ZDUSSCGKSA-N -1 3 296.326 2.602 10 10 CFCEHM [O-]c1c(Cl)cccc1CN1CCN2CCCC[C@H]2C1 ZINC000245651408 526326221 /nfs/dbraw/zinc/32/62/21/526326221.db2.gz HNTOAGXODLBEIA-ZDUSSCGKSA-N -1 3 280.799 2.716 10 10 CFCEHM CNC(=O)c1ccc(C)c(NCc2cccc(F)c2[O-])c1 ZINC000164991339 622977558 /nfs/dbraw/zinc/97/75/58/622977558.db2.gz AIBHIUYWDQVTKS-UHFFFAOYSA-N -1 3 288.322 2.811 10 10 CFCEHM N[C@@H](CF)c1c([O-])c(Br)ccc1Cl ZINC000306696678 382460669 /nfs/dbraw/zinc/46/06/69/382460669.db2.gz XTTGGBZOEPHXPF-LURJTMIESA-N -1 3 268.513 2.777 10 10 CFCEHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000272301751 385504566 /nfs/dbraw/zinc/50/45/66/385504566.db2.gz PWDNYBWNGXHGNG-ZYHUDNBSSA-N -1 3 253.317 2.531 10 10 CFCEHM Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c([O-])c1O ZINC000177662041 394384299 /nfs/dbraw/zinc/38/42/99/394384299.db2.gz ZSBRRNUIQAFFKD-ZDUSSCGKSA-N -1 3 299.326 2.660 10 10 CFCEHM CC[C@@H](N[C@H](C(=O)OC)C(C)C)c1ccccc1[O-] ZINC000035346431 172138561 /nfs/dbraw/zinc/13/85/61/172138561.db2.gz CEKXCDPBQOUIFD-OCCSQVGLSA-N -1 3 265.353 2.631 10 10 CFCEHM Cc1csc(CN[C@H](C)c2ccc(O)cc2[O-])n1 ZINC000038090623 174104160 /nfs/dbraw/zinc/10/41/60/174104160.db2.gz GQLVKIMQCYEJFA-SECBINFHSA-N -1 3 264.350 2.714 10 10 CFCEHM COCCOc1ccc(NCc2cccc(F)c2[O-])cn1 ZINC000164964104 524050088 /nfs/dbraw/zinc/05/00/88/524050088.db2.gz CCTYUAPWPMXMMU-UHFFFAOYSA-N -1 3 292.310 2.564 10 10 CFCEHM CNC(=O)c1cccc(NCc2cccc(F)c2[O-])c1C ZINC000164999997 622978392 /nfs/dbraw/zinc/97/83/92/622978392.db2.gz SIIDQQIDRMAFIB-UHFFFAOYSA-N -1 3 288.322 2.811 10 10 CFCEHM N[C@H](CF)c1c([O-])c(Br)ccc1Cl ZINC000306744033 348391682 /nfs/dbraw/zinc/39/16/82/348391682.db2.gz XTTGGBZOEPHXPF-ZCFIWIBFSA-N -1 3 268.513 2.777 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000186097391 381822869 /nfs/dbraw/zinc/82/28/69/381822869.db2.gz XXJMAJVYLOFAOH-NOZJJQNGSA-N -1 3 290.342 2.617 10 10 CFCEHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000281262970 385190294 /nfs/dbraw/zinc/19/02/94/385190294.db2.gz NEZYSONJZIALIN-GFCCVEGCSA-N -1 3 253.317 2.532 10 10 CFCEHM COc1ccc(C2=NN[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000008472984 170336928 /nfs/dbraw/zinc/33/69/28/170336928.db2.gz XCGOEVMZLLBWID-OAHLLOKOSA-N -1 3 298.342 2.848 10 10 CFCEHM N[C@@H](c1cc(Br)ccc1[O-])C(F)(F)F ZINC000072190860 295295662 /nfs/dbraw/zinc/29/56/62/295295662.db2.gz OBMKPUYGXHSYMR-ZETCQYMHSA-N -1 3 270.048 2.717 10 10 CFCEHM CC[C@@H](N[C@@H]1CCCn2ncnc21)c1ccccc1[O-] ZINC000156277264 522924869 /nfs/dbraw/zinc/92/48/69/522924869.db2.gz HQABLXPOBVTTRW-CHWSQXEVSA-N -1 3 272.352 2.560 10 10 CFCEHM COc1ccc(CNCc2cccc(F)c2[O-])c(OC)c1 ZINC000165041745 524073663 /nfs/dbraw/zinc/07/36/63/524073663.db2.gz OMMFJLQXJYOMNQ-UHFFFAOYSA-N -1 3 291.322 2.838 10 10 CFCEHM CNC(=O)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC000164935000 622974751 /nfs/dbraw/zinc/97/47/51/622974751.db2.gz VDGBUOFDWNUDNW-UHFFFAOYSA-N -1 3 274.295 2.503 10 10 CFCEHM NC(=O)Nc1cccc(NCc2cccc(F)c2[O-])c1 ZINC000165012081 622978243 /nfs/dbraw/zinc/97/82/43/622978243.db2.gz JNELSTQLJARORA-UHFFFAOYSA-N -1 3 275.283 2.634 10 10 CFCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000126256872 643082190 /nfs/dbraw/zinc/08/21/90/643082190.db2.gz WDDRPGWAMLAFII-MRVPVSSYSA-N -1 3 263.318 2.650 10 10 CFCEHM Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000034955786 372520208 /nfs/dbraw/zinc/52/02/08/372520208.db2.gz JUCCWXUXONLZPN-UHFFFAOYSA-N -1 3 288.372 2.558 10 10 CFCEHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1[O-] ZINC000183552242 381287933 /nfs/dbraw/zinc/28/79/33/381287933.db2.gz JJPLLDLIWRLDJC-WCQYABFASA-N -1 3 286.379 2.732 10 10 CFCEHM [O-]c1c(O)ccc(OC(F)(F)F)c1Br ZINC000575686284 382787674 /nfs/dbraw/zinc/78/76/74/382787674.db2.gz LAWVMKNIEJSCHH-UHFFFAOYSA-N -1 3 273.004 2.759 10 10 CFCEHM CC[C@H](N[C@H](C(=O)OC)C(C)C)c1ccccc1[O-] ZINC000035346429 172138242 /nfs/dbraw/zinc/13/82/42/172138242.db2.gz CEKXCDPBQOUIFD-JSGCOSHPSA-N -1 3 265.353 2.631 10 10 CFCEHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000035346204 172138804 /nfs/dbraw/zinc/13/88/04/172138804.db2.gz BXGUKZMAWGTGKU-RISCZKNCSA-N -1 3 265.353 2.549 10 10 CFCEHM Cc1cccc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc12 ZINC000072194128 176337298 /nfs/dbraw/zinc/33/72/98/176337298.db2.gz HYAMNVOTLYWGGU-UHFFFAOYSA-N -1 3 284.267 2.885 10 10 CFCEHM CC(C)(C)[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000280382886 518947072 /nfs/dbraw/zinc/94/70/72/518947072.db2.gz FPGBPTAYPYYBLB-ZDUSSCGKSA-N -1 3 267.344 2.778 10 10 CFCEHM C[C@@H](c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000132447418 347884814 /nfs/dbraw/zinc/88/48/14/347884814.db2.gz SSYJOWNPOSFZLO-VIFPVBQESA-N -1 3 286.169 2.548 10 10 CFCEHM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000177665825 380363953 /nfs/dbraw/zinc/36/39/53/380363953.db2.gz VGHXHLVUEPFHGK-JTQLQIEISA-N -1 3 275.304 2.799 10 10 CFCEHM C[C@@H](N[C@H]1CCCn2ncnc21)c1cc(Cl)ccc1[O-] ZINC000185662546 381697647 /nfs/dbraw/zinc/69/76/47/381697647.db2.gz XGWFYFIZWMOOKV-SKDRFNHKSA-N -1 3 292.770 2.823 10 10 CFCEHM COc1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000008472976 170336939 /nfs/dbraw/zinc/33/69/39/170336939.db2.gz GMLZJOJKGISXOM-CQSZACIVSA-N -1 3 286.306 2.979 10 10 CFCEHM COCCn1cc(N[C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000094617438 522110943 /nfs/dbraw/zinc/11/09/43/522110943.db2.gz QUZAAHDSGYQTBC-SNVBAGLBSA-N -1 3 279.315 2.547 10 10 CFCEHM Cc1csc([C@H]2CN(Cc3ccccc3[O-])CCO2)n1 ZINC000179567529 380559052 /nfs/dbraw/zinc/55/90/52/380559052.db2.gz UGESAPYRTVTXQS-CQSZACIVSA-N -1 3 290.388 2.731 10 10 CFCEHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)c([O-])c1O ZINC000182457772 381090654 /nfs/dbraw/zinc/09/06/54/381090654.db2.gz OMFINPVXLQNSDQ-LBPRGKRZSA-N -1 3 287.315 2.977 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000186096926 381823024 /nfs/dbraw/zinc/82/30/24/381823024.db2.gz HHNJNNWKOSJEMI-SMDDNHRTSA-N -1 3 286.379 2.786 10 10 CFCEHM Cc1ccc([C@H](C)NCc2nnc3ccccn32)c([O-])c1 ZINC000020185706 171048812 /nfs/dbraw/zinc/04/88/12/171048812.db2.gz LNIGSCIMASWTIS-LBPRGKRZSA-N -1 3 282.347 2.594 10 10 CFCEHM [O-]c1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1 ZINC000020390138 171178638 /nfs/dbraw/zinc/17/86/38/171178638.db2.gz IDGMXKDATHDEBA-AWEZNQCLSA-N -1 3 256.280 2.970 10 10 CFCEHM O=C(Nc1nc2ccccc2s1)c1ccc([O-])c(O)c1 ZINC000029406640 171597211 /nfs/dbraw/zinc/59/72/11/171597211.db2.gz GNKKDFRNLWHCEP-UHFFFAOYSA-N -1 3 286.312 2.960 10 10 CFCEHM Cc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126313280 643115905 /nfs/dbraw/zinc/11/59/05/643115905.db2.gz ADNFWCDDIOBYNG-LLVKDONJSA-N -1 3 271.316 2.897 10 10 CFCEHM C[C@H](c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000132447622 347884786 /nfs/dbraw/zinc/88/47/86/347884786.db2.gz SSYJOWNPOSFZLO-SECBINFHSA-N -1 3 286.169 2.548 10 10 CFCEHM Cc1ccc([C@@H](C)NCc2nnc3ccccn32)c([O-])c1 ZINC000020185704 171048617 /nfs/dbraw/zinc/04/86/17/171048617.db2.gz LNIGSCIMASWTIS-GFCCVEGCSA-N -1 3 282.347 2.594 10 10 CFCEHM COCCn1cc(N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062747443 522110953 /nfs/dbraw/zinc/11/09/53/522110953.db2.gz SWYFJNUUZSXGEV-SNVBAGLBSA-N -1 3 279.315 2.547 10 10 CFCEHM O=C(N[C@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000114427448 635833051 /nfs/dbraw/zinc/83/30/51/635833051.db2.gz KGAOBKXKPGFHBN-AWEZNQCLSA-N -1 3 283.327 2.905 10 10 CFCEHM [O-]c1c(F)cccc1CNc1ccc(CCO)cc1 ZINC000158733130 650235747 /nfs/dbraw/zinc/23/57/47/650235747.db2.gz KWCRXRGHWHNXJQ-UHFFFAOYSA-N -1 3 261.296 2.678 10 10 CFCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000126871807 643705973 /nfs/dbraw/zinc/70/59/73/643705973.db2.gz GONMVFISQSHVCE-NXEZZACHSA-N -1 3 255.745 2.655 10 10 CFCEHM O=C1C[C@H](c2ccccc2)Oc2c(O)c([O-])cc(O)c21 ZINC000014807067 346234470 /nfs/dbraw/zinc/23/44/70/346234470.db2.gz DWNSJXRFYCRZQD-GFCCVEGCSA-N -1 3 272.256 2.510 10 10 CFCEHM COc1ccc2c(=O)cc(-c3ccc([O-])c(O)c3)oc2c1 ZINC000027205910 372336508 /nfs/dbraw/zinc/33/65/08/372336508.db2.gz OXCBVQSOQCUOSG-UHFFFAOYSA-N -1 3 284.267 2.880 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000180160587 380626516 /nfs/dbraw/zinc/62/65/16/380626516.db2.gz IURWEZHMOMRPAP-AWEZNQCLSA-N -1 3 275.327 2.982 10 10 CFCEHM COc1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000008472956 170337069 /nfs/dbraw/zinc/33/70/69/170337069.db2.gz GMLZJOJKGISXOM-AWEZNQCLSA-N -1 3 286.306 2.979 10 10 CFCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC000186758676 626398553 /nfs/dbraw/zinc/39/85/53/626398553.db2.gz MJCRNBYQDMDFTM-QMMMGPOBSA-N -1 3 293.269 2.867 10 10 CFCEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2)cc1C ZINC000020432210 171196624 /nfs/dbraw/zinc/19/66/24/171196624.db2.gz OEVGFLRHKKMPNI-UHFFFAOYSA-N -1 3 276.361 2.686 10 10 CFCEHM CC[C@@H](N[C@H]1CCCn2ncnc21)c1ccccc1[O-] ZINC000156277466 522949352 /nfs/dbraw/zinc/94/93/52/522949352.db2.gz HQABLXPOBVTTRW-OLZOCXBDSA-N -1 3 272.352 2.560 10 10 CFCEHM CN(C)C(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000164956711 622976481 /nfs/dbraw/zinc/97/64/81/622976481.db2.gz DUMOUMDIYOCFEO-UHFFFAOYSA-N -1 3 288.322 2.845 10 10 CFCEHM CC1=NN[C@H](c2cc(Br)ccc2[O-])C1 ZINC000584635462 348697966 /nfs/dbraw/zinc/69/79/66/348697966.db2.gz CTQOKZIASHJHKL-VIFPVBQESA-N -1 3 255.115 2.565 10 10 CFCEHM [O-]c1ccccc1CNCc1sncc1Br ZINC000669379884 540360549 /nfs/dbraw/zinc/36/05/49/540360549.db2.gz LQWIEXYLWUOBQR-UHFFFAOYSA-N -1 3 299.193 2.901 10 10 CFCEHM [O-]c1ccccc1C1=NN[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000001504626 371680021 /nfs/dbraw/zinc/68/00/21/371680021.db2.gz JWUCYCKGRWIJSK-CYBMUJFWSA-N -1 3 296.326 2.602 10 10 CFCEHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1nnc2n1CCCC2 ZINC000183536564 381285540 /nfs/dbraw/zinc/28/55/40/381285540.db2.gz ITSHVCMONKMNLI-NWDGAFQWSA-N -1 3 286.379 2.732 10 10 CFCEHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000184670396 381458880 /nfs/dbraw/zinc/45/88/80/381458880.db2.gz SJXKUUWZJCATTR-UWVGGRQHSA-N -1 3 285.771 2.663 10 10 CFCEHM N[C@@H](CF)c1cc(Cl)cc(Br)c1[O-] ZINC000307277719 382465463 /nfs/dbraw/zinc/46/54/63/382465463.db2.gz SGNLAIUUTJDYFH-ZETCQYMHSA-N -1 3 268.513 2.777 10 10 CFCEHM CCC[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272337635 385513184 /nfs/dbraw/zinc/51/31/84/385513184.db2.gz XYCDWRLTKMLOSZ-LBPRGKRZSA-N -1 3 253.317 2.532 10 10 CFCEHM O=C(NCc1ccccc1)c1cc2cc(O)c([O-])cc2cn1 ZINC000006575042 170214805 /nfs/dbraw/zinc/21/48/05/170214805.db2.gz CYMDDJODSVMYBQ-UHFFFAOYSA-N -1 3 294.310 2.576 10 10 CFCEHM O=C(NCc1ccccc1)c1cc2cc([O-])c(O)cc2cn1 ZINC000006575042 170214807 /nfs/dbraw/zinc/21/48/07/170214807.db2.gz CYMDDJODSVMYBQ-UHFFFAOYSA-N -1 3 294.310 2.576 10 10 CFCEHM COCCn1cc(N[C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000094617437 522110015 /nfs/dbraw/zinc/11/00/15/522110015.db2.gz QUZAAHDSGYQTBC-JTQLQIEISA-N -1 3 279.315 2.547 10 10 CFCEHM COc1cc2c(c([O-])c1)CN(Cc1ccccc1)C2=O ZINC000035823296 372552036 /nfs/dbraw/zinc/55/20/36/372552036.db2.gz VCINMRLYVIDGCL-UHFFFAOYSA-N -1 3 269.300 2.557 10 10 CFCEHM COc1cc(Cl)cc(CN2CCS[C@@H](C)C2)c1[O-] ZINC000184688444 381460467 /nfs/dbraw/zinc/46/04/67/381460467.db2.gz NDXXYHRBEICFPB-VIFPVBQESA-N -1 3 287.812 2.992 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000186096940 381823583 /nfs/dbraw/zinc/82/35/83/381823583.db2.gz HHNJNNWKOSJEMI-RISCZKNCSA-N -1 3 286.379 2.786 10 10 CFCEHM Cc1cccc(C(=O)N(C)c2ccc(N)cc2)c1[O-] ZINC000020373810 171169311 /nfs/dbraw/zinc/16/93/11/171169311.db2.gz DFEGTRYUGWRXRM-UHFFFAOYSA-N -1 3 256.305 2.559 10 10 CFCEHM COC(=O)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC000164943386 622976848 /nfs/dbraw/zinc/97/68/48/622976848.db2.gz XBVRFXJRSQKMJH-UHFFFAOYSA-N -1 3 275.279 2.930 10 10 CFCEHM Cc1cnc([C@H](C)NCc2cccc(F)c2[O-])o1 ZINC000231530693 623355297 /nfs/dbraw/zinc/35/52/97/623355297.db2.gz KMJKGFXVQJDBJF-VIFPVBQESA-N -1 3 250.273 2.679 10 10 CFCEHM Cc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126313498 643115840 /nfs/dbraw/zinc/11/58/40/643115840.db2.gz ADNFWCDDIOBYNG-NSHDSACASA-N -1 3 271.316 2.897 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186096426 381822949 /nfs/dbraw/zinc/82/29/49/381822949.db2.gz SRGPXHHMTRUNDK-TVQRCGJNSA-N -1 3 290.342 2.617 10 10 CFCEHM CC[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000272301747 385504449 /nfs/dbraw/zinc/50/44/49/385504449.db2.gz PWDNYBWNGXHGNG-JQWIXIFHSA-N -1 3 253.317 2.531 10 10 CFCEHM CC(C)c1nc2c(n1C)CCN(Cc1ccccc1[O-])C2 ZINC000179572948 393468044 /nfs/dbraw/zinc/46/80/44/393468044.db2.gz FIKBCGVZSFSOGA-UHFFFAOYSA-N -1 3 285.391 2.807 10 10 CFCEHM CCCc1ccc2c(c1O)C(=O)c1c([O-])cccc1C2=O ZINC000013454733 170551320 /nfs/dbraw/zinc/55/13/20/170551320.db2.gz ASGZSJBCACSXRC-UHFFFAOYSA-N -1 3 282.295 2.826 10 10 CFCEHM Cc1ccc(C(=O)N(C)c2ccc(N)cc2)c([O-])c1 ZINC000020373782 171169688 /nfs/dbraw/zinc/16/96/88/171169688.db2.gz OWPHESLTTPHMLY-UHFFFAOYSA-N -1 3 256.305 2.559 10 10 CFCEHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000126378959 643186353 /nfs/dbraw/zinc/18/63/53/643186353.db2.gz PMPNILZZOKJLBC-ZDUSSCGKSA-N -1 3 271.316 2.979 10 10 CFCEHM O=C1C[C@@H](c2ccccc2)Oc2c(O)c([O-])cc(O)c21 ZINC000014807064 346234834 /nfs/dbraw/zinc/23/48/34/346234834.db2.gz DWNSJXRFYCRZQD-LBPRGKRZSA-N -1 3 272.256 2.510 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000180160563 380625792 /nfs/dbraw/zinc/62/57/92/380625792.db2.gz IURWEZHMOMRPAP-CQSZACIVSA-N -1 3 275.327 2.982 10 10 CFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](O)[C@@H]2C)c1[O-] ZINC000296374062 381367973 /nfs/dbraw/zinc/36/79/73/381367973.db2.gz STACGRWTQBGMGH-LKFCYVNXSA-N -1 3 297.782 2.593 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000186097374 381823236 /nfs/dbraw/zinc/82/32/36/381823236.db2.gz XXJMAJVYLOFAOH-RNCFNFMXSA-N -1 3 290.342 2.617 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000186096443 302675726 /nfs/dbraw/zinc/67/57/26/302675726.db2.gz SRGPXHHMTRUNDK-RNCFNFMXSA-N -1 3 290.342 2.617 10 10 CFCEHM C[C@H]1CN(Cc2cccc(F)c2[O-])CC(C)(C)O1 ZINC000160215684 524623540 /nfs/dbraw/zinc/62/35/40/524623540.db2.gz ICVHXSTXSQMUAM-JTQLQIEISA-N -1 3 253.317 2.531 10 10 CFCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000186097342 282101341 /nfs/dbraw/zinc/10/13/41/282101341.db2.gz XXJMAJVYLOFAOH-ZANVPECISA-N -1 3 290.342 2.617 10 10 CFCEHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1nnc2n1CCCC2 ZINC000183536526 289995219 /nfs/dbraw/zinc/99/52/19/289995219.db2.gz ITSHVCMONKMNLI-RYUDHWBXSA-N -1 3 286.379 2.732 10 10 CFCEHM CCC[C@@H](NCc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000156563855 520782661 /nfs/dbraw/zinc/78/26/61/520782661.db2.gz CDSINNGAFJFVJP-CYBMUJFWSA-N -1 3 279.380 2.992 10 10 CFCEHM CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1ccccc1[O-] ZINC000156709978 522714900 /nfs/dbraw/zinc/71/49/00/522714900.db2.gz DTNKXSRBKHMTHG-UONOGXRCSA-N -1 3 286.379 2.868 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245967974 526350212 /nfs/dbraw/zinc/35/02/12/526350212.db2.gz NPINTIQFINFXQE-UKRRQHHQSA-N -1 3 265.328 2.675 10 10 CFCEHM [O-]c1ccc(F)cc1CN[C@@H]1COc2ccccc21 ZINC000226607616 526352027 /nfs/dbraw/zinc/35/20/27/526352027.db2.gz BMFKHQABBWITMS-CYBMUJFWSA-N -1 3 259.280 2.755 10 10 CFCEHM Cc1csc(CNCc2cccc(F)c2[O-])n1 ZINC000158730129 526358767 /nfs/dbraw/zinc/35/87/67/526358767.db2.gz LRQRSTZVYZJMQD-UHFFFAOYSA-N -1 3 252.314 2.586 10 10 CFCEHM CC1(C)C(c2ccccc2)=[N+]([O-])[C@H](c2ccccc2[O-])N1O ZINC000140413831 347925370 /nfs/dbraw/zinc/92/53/70/347925370.db2.gz ZDXHVBOMPRRMMQ-INIZCTEOSA-O -1 3 299.350 2.765 10 10 CFCEHM N[C@H](CF)c1cc(Cl)cc(Br)c1[O-] ZINC000307092864 348395854 /nfs/dbraw/zinc/39/58/54/348395854.db2.gz SGNLAIUUTJDYFH-SSDOTTSWSA-N -1 3 268.513 2.777 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2nccs2)C1 ZINC000180056315 380615793 /nfs/dbraw/zinc/61/57/93/380615793.db2.gz WIRPNEZEORWQTH-ZDUSSCGKSA-N -1 3 294.351 2.561 10 10 CFCEHM COc1ccccc1[C@@H]1CC(c2ccccc2[O-])=NN1 ZINC000008496472 170338127 /nfs/dbraw/zinc/33/81/27/170338127.db2.gz IBUXKKFLBPYUDG-AWEZNQCLSA-N -1 3 268.316 2.840 10 10 CFCEHM CCOC(=O)c1cc(C)n(Cc2cc(Cl)ccc2[O-])n1 ZINC000113396909 347767196 /nfs/dbraw/zinc/76/71/96/347767196.db2.gz USSRPICQDQQPDW-UHFFFAOYSA-N -1 3 294.738 2.776 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2nccs2)C1 ZINC000180056333 380615634 /nfs/dbraw/zinc/61/56/34/380615634.db2.gz WIRPNEZEORWQTH-CYBMUJFWSA-N -1 3 294.351 2.561 10 10 CFCEHM CCC[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272337633 385513220 /nfs/dbraw/zinc/51/32/20/385513220.db2.gz XYCDWRLTKMLOSZ-GFCCVEGCSA-N -1 3 253.317 2.532 10 10 CFCEHM CCc1cc(NCc2ccccc2[O-])c(=O)[nH]c1C ZINC000005887288 170150361 /nfs/dbraw/zinc/15/03/61/170150361.db2.gz GJJTWMJKJHXXIQ-UHFFFAOYSA-N -1 3 258.321 2.563 10 10 CFCEHM CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000160192284 523508682 /nfs/dbraw/zinc/50/86/82/523508682.db2.gz CPKZDBIBJSLEHA-CMPLNLGQSA-N -1 3 253.317 2.531 10 10 CFCEHM CCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1C ZINC000085344890 179028431 /nfs/dbraw/zinc/02/84/31/179028431.db2.gz FHZLOBAMDLPPMX-UHFFFAOYSA-N -1 3 263.746 2.506 10 10 CFCEHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1nnc2n1CCCC2 ZINC000183536579 287063355 /nfs/dbraw/zinc/06/33/55/287063355.db2.gz ITSHVCMONKMNLI-VXGBXAGGSA-N -1 3 286.379 2.732 10 10 CFCEHM CC[C@H]1CO[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000160192423 523345032 /nfs/dbraw/zinc/34/50/32/523345032.db2.gz CPKZDBIBJSLEHA-JQWIXIFHSA-N -1 3 253.317 2.531 10 10 CFCEHM Cc1cnc(CNCc2cccc(F)c2[O-])s1 ZINC000226609462 623083349 /nfs/dbraw/zinc/08/33/49/623083349.db2.gz CRDOVQDPTFHWRM-UHFFFAOYSA-N -1 3 252.314 2.586 10 10 CFCEHM Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000034955800 372519528 /nfs/dbraw/zinc/51/95/28/372519528.db2.gz SGRBJHAFOYSXMU-UHFFFAOYSA-N -1 3 282.752 2.723 10 10 CFCEHM Cc1csc([C@@H]2CN(Cc3ccccc3[O-])CCO2)n1 ZINC000179567521 380559280 /nfs/dbraw/zinc/55/92/80/380559280.db2.gz UGESAPYRTVTXQS-AWEZNQCLSA-N -1 3 290.388 2.731 10 10 CFCEHM COc1ccc(CN2Cc3c(cccc3[O-])C2=O)cc1 ZINC000521399669 383295455 /nfs/dbraw/zinc/29/54/55/383295455.db2.gz DIIYUDLERFFNIH-UHFFFAOYSA-N -1 3 269.300 2.557 10 10 CFCEHM COc1ccccc1[C@H]1CC(c2ccccc2[O-])=NN1 ZINC000008496513 170338169 /nfs/dbraw/zinc/33/81/69/170338169.db2.gz IBUXKKFLBPYUDG-CQSZACIVSA-N -1 3 268.316 2.840 10 10 CFCEHM Cc1noc(CNCc2c([O-])ccc3ccccc32)n1 ZINC000038034375 326869104 /nfs/dbraw/zinc/86/91/04/326869104.db2.gz MEVFDNRSMNGYGI-UHFFFAOYSA-N -1 3 269.304 2.527 10 10 CFCEHM CCC[C@H](NCc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000156563722 521163526 /nfs/dbraw/zinc/16/35/26/521163526.db2.gz CDSINNGAFJFVJP-ZDUSSCGKSA-N -1 3 279.380 2.992 10 10 CFCEHM CCCN(Cc1nnc(C)n1CC)Cc1ccccc1[O-] ZINC000170779136 521695968 /nfs/dbraw/zinc/69/59/68/521695968.db2.gz SQFYGCGZQKTVCV-UHFFFAOYSA-N -1 3 288.395 2.724 10 10 CFCEHM [O-]c1c(F)cccc1CN1CCOCC12CCCC2 ZINC000272503208 526328922 /nfs/dbraw/zinc/32/89/22/526328922.db2.gz VYPBXBRNYPMJBB-UHFFFAOYSA-N -1 3 265.328 2.676 10 10 CFCEHM Cc1ncc(CNCc2cccc(F)c2[O-])s1 ZINC000158733913 527274033 /nfs/dbraw/zinc/27/40/33/527274033.db2.gz LHFXYONPEBVTMQ-UHFFFAOYSA-N -1 3 252.314 2.586 10 10 CFCEHM CNC(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000164958755 622976405 /nfs/dbraw/zinc/97/64/05/622976405.db2.gz IWTTUYMCLHSFAH-UHFFFAOYSA-N -1 3 274.295 2.503 10 10 CFCEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c([O-])c1O ZINC000182457753 381091089 /nfs/dbraw/zinc/09/10/89/381091089.db2.gz OMFINPVXLQNSDQ-GFCCVEGCSA-N -1 3 287.315 2.977 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000186097356 381822974 /nfs/dbraw/zinc/82/29/74/381822974.db2.gz XXJMAJVYLOFAOH-TVQRCGJNSA-N -1 3 290.342 2.617 10 10 CFCEHM N[C@H](c1cc(Br)ccc1[O-])C(F)(F)F ZINC000072195679 176338166 /nfs/dbraw/zinc/33/81/66/176338166.db2.gz OBMKPUYGXHSYMR-SSDOTTSWSA-N -1 3 270.048 2.717 10 10 CFCEHM CCc1cnc(CNCc2cccc(F)c2[O-])s1 ZINC000226612963 522035937 /nfs/dbraw/zinc/03/59/37/522035937.db2.gz DFLILWIAPPOCNP-UHFFFAOYSA-N -1 3 266.341 2.840 10 10 CFCEHM O=[N+]([O-])c1ccccc1CNCc1cccc(F)c1[O-] ZINC000165036106 622979247 /nfs/dbraw/zinc/97/92/47/622979247.db2.gz TUUMMZAPRRWXDL-UHFFFAOYSA-N -1 3 276.267 2.729 10 10 CFCEHM [O-]c1c(F)cccc1CNc1ccc2c(c1)OCO2 ZINC000083443551 625850567 /nfs/dbraw/zinc/85/05/67/625850567.db2.gz AXNPBMDFANHXEO-UHFFFAOYSA-N -1 3 261.252 2.872 10 10 CFCEHM CCOc1ncccc1NCc1cccc(F)c1[O-] ZINC000158703961 650234287 /nfs/dbraw/zinc/23/42/87/650234287.db2.gz AEDLSHVAYZNWGE-UHFFFAOYSA-N -1 3 262.284 2.937 10 10 CFCEHM [O-]c1cc(C(F)(F)F)c(Br)cc1O ZINC000218247204 348166329 /nfs/dbraw/zinc/16/63/29/348166329.db2.gz BSAVDHOUBIGQTK-UHFFFAOYSA-N -1 3 257.005 2.879 10 10 CFCEHM [O-]c1cc(Br)c(C(F)(F)F)cc1O ZINC000218247204 348166332 /nfs/dbraw/zinc/16/63/32/348166332.db2.gz BSAVDHOUBIGQTK-UHFFFAOYSA-N -1 3 257.005 2.879 10 10 CFCEHM COc1ccc(C2=NN[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000008472963 170336800 /nfs/dbraw/zinc/33/68/00/170336800.db2.gz XCGOEVMZLLBWID-HNNXBMFYSA-N -1 3 298.342 2.848 10 10 CFCEHM CC[C@H](N[C@@H]1CCCn2ncnc21)c1ccccc1[O-] ZINC000156277150 522718289 /nfs/dbraw/zinc/71/82/89/522718289.db2.gz HQABLXPOBVTTRW-QWHCGFSZSA-N -1 3 272.352 2.560 10 10 CFCEHM CC[C@H](N[C@H]1CCCn2ncnc21)c1ccccc1[O-] ZINC000156277373 522752612 /nfs/dbraw/zinc/75/26/12/522752612.db2.gz HQABLXPOBVTTRW-STQMWFEESA-N -1 3 272.352 2.560 10 10 CFCEHM COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000122286407 638979030 /nfs/dbraw/zinc/97/90/30/638979030.db2.gz JKSAZXRSDOKBKU-LBPRGKRZSA-N -1 3 283.755 2.573 10 10 CFCEHM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1[O-] ZINC000183552273 381287565 /nfs/dbraw/zinc/28/75/65/381287565.db2.gz JJPLLDLIWRLDJC-DGCLKSJQSA-N -1 3 286.379 2.732 10 10 CFCEHM COCCn1cc(N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062747442 522109966 /nfs/dbraw/zinc/10/99/66/522109966.db2.gz SWYFJNUUZSXGEV-JTQLQIEISA-N -1 3 279.315 2.547 10 10 CFCEHM CC[C@H]1CO[C@H](C)CN1Cc1cccc(F)c1[O-] ZINC000160192158 523351827 /nfs/dbraw/zinc/35/18/27/523351827.db2.gz CPKZDBIBJSLEHA-PWSUYJOCSA-N -1 3 253.317 2.531 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245967964 526349185 /nfs/dbraw/zinc/34/91/85/526349185.db2.gz NPINTIQFINFXQE-HIFRSBDPSA-N -1 3 265.328 2.675 10 10 CFCEHM [O-]c1ccc(F)cc1CNCC(F)(F)C(F)F ZINC000191765782 526349212 /nfs/dbraw/zinc/34/92/12/526349212.db2.gz ZNOBQXYTUGLZFC-UHFFFAOYSA-N -1 3 255.186 2.521 10 10 CFCEHM N[C@H](CF)c1cc(Br)cc(Cl)c1[O-] ZINC000238683694 348248649 /nfs/dbraw/zinc/24/86/49/348248649.db2.gz QZXONQXXBMOJME-SSDOTTSWSA-N -1 3 268.513 2.777 10 10 CFCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1[O-] ZINC000183552257 381287836 /nfs/dbraw/zinc/28/78/36/381287836.db2.gz JJPLLDLIWRLDJC-YPMHNXCESA-N -1 3 286.379 2.732 10 10 CFCEHM C[C@H](N[C@@H]1CCCn2ncnc21)c1cc(Cl)ccc1[O-] ZINC000185662490 381697538 /nfs/dbraw/zinc/69/75/38/381697538.db2.gz XGWFYFIZWMOOKV-JOYOIKCWSA-N -1 3 292.770 2.823 10 10 CFCEHM COc1ccc(C2=NN[C@@H](c3cccs3)C2)c([O-])c1 ZINC000008472988 170336908 /nfs/dbraw/zinc/33/69/08/170336908.db2.gz YGRUPLWINOTYGS-GFCCVEGCSA-N -1 3 274.345 2.901 10 10 CFCEHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000035346206 172138455 /nfs/dbraw/zinc/13/84/55/172138455.db2.gz BXGUKZMAWGTGKU-FZMZJTMJSA-N -1 3 265.353 2.549 10 10 CFCEHM Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000186096461 302678473 /nfs/dbraw/zinc/67/84/73/302678473.db2.gz SRGPXHHMTRUNDK-NOZJJQNGSA-N -1 3 290.342 2.617 10 10 CFCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC000186758696 626398626 /nfs/dbraw/zinc/39/86/26/626398626.db2.gz MJCRNBYQDMDFTM-MRVPVSSYSA-N -1 3 293.269 2.867 10 10 CFCEHM N[C@@H](CF)c1c([O-])c(Cl)ccc1Br ZINC000306744606 348391883 /nfs/dbraw/zinc/39/18/83/348391883.db2.gz YGPBODPPVXCEDV-LURJTMIESA-N -1 3 268.513 2.777 10 10 CFCEHM [O-]c1c(Cl)cccc1CN1CCN2CCCC[C@@H]2C1 ZINC000124576908 377065752 /nfs/dbraw/zinc/06/57/52/377065752.db2.gz HNTOAGXODLBEIA-CYBMUJFWSA-N -1 3 280.799 2.716 10 10 CFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](O)[C@H]2C)c1[O-] ZINC000296374065 381367959 /nfs/dbraw/zinc/36/79/59/381367959.db2.gz STACGRWTQBGMGH-OTYXRUKQSA-N -1 3 297.782 2.593 10 10 CFCEHM Cc1csc(CN[C@@H](C)c2ccc(O)cc2[O-])n1 ZINC000038090622 174103742 /nfs/dbraw/zinc/10/37/42/174103742.db2.gz GQLVKIMQCYEJFA-VIFPVBQESA-N -1 3 264.350 2.714 10 10 CFCEHM N[C@@H](CF)c1cc(Br)cc(Cl)c1[O-] ZINC000238572343 348247846 /nfs/dbraw/zinc/24/78/46/348247846.db2.gz QZXONQXXBMOJME-ZETCQYMHSA-N -1 3 268.513 2.777 10 10 CFCEHM CCCCCCOC(=O)c1cc(O)c([O-])c(O)c1 ZINC000002510146 371729342 /nfs/dbraw/zinc/72/93/42/371729342.db2.gz DQHJNOHLEKVUHU-UHFFFAOYSA-N -1 3 254.282 2.541 10 10 CFCEHM [O-]c1ccc(F)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000179942908 380602205 /nfs/dbraw/zinc/60/22/05/380602205.db2.gz NPINTIQFINFXQE-ZFWWWQNUSA-N -1 3 265.328 2.675 10 10 CFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](O)[C@@H]2C)c1[O-] ZINC000296374070 381367860 /nfs/dbraw/zinc/36/78/60/381367860.db2.gz STACGRWTQBGMGH-XPTSAGLGSA-N -1 3 297.782 2.593 10 10 CFCEHM C[C@H](N[C@H]1CCCn2ncnc21)c1cc(Cl)ccc1[O-] ZINC000185662526 381697814 /nfs/dbraw/zinc/69/78/14/381697814.db2.gz XGWFYFIZWMOOKV-CABZTGNLSA-N -1 3 292.770 2.823 10 10 CFCEHM CC[C@H](NCc1nnc2ccccn21)c1ccccc1[O-] ZINC000020185551 171048568 /nfs/dbraw/zinc/04/85/68/171048568.db2.gz RIUSYMBZJQXHNS-ZDUSSCGKSA-N -1 3 282.347 2.676 10 10 CFCEHM CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccccc1[O-] ZINC000156710377 522948245 /nfs/dbraw/zinc/94/82/45/522948245.db2.gz DTNKXSRBKHMTHG-KGLIPLIRSA-N -1 3 286.379 2.868 10 10 CFCEHM CCC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000126299821 643110399 /nfs/dbraw/zinc/11/03/99/643110399.db2.gz UUWXAOMSKSLGMI-UHFFFAOYSA-N -1 3 263.337 2.796 10 10 CFCEHM CCOc1cc(C=O)cc(CN2CCCCC2)c1[O-] ZINC000616575504 352372749 /nfs/dbraw/zinc/37/27/49/352372749.db2.gz CYUUTQUWZLVXMW-UHFFFAOYSA-N -1 3 263.337 2.589 10 10 CFCEHM Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c([O-])c1O ZINC000177662027 380364159 /nfs/dbraw/zinc/36/41/59/380364159.db2.gz ZSBRRNUIQAFFKD-CYBMUJFWSA-N -1 3 299.326 2.660 10 10 CFCEHM C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1[O-] ZINC000183536548 381283395 /nfs/dbraw/zinc/28/33/95/381283395.db2.gz ITSHVCMONKMNLI-NEPJUHHUSA-N -1 3 286.379 2.732 10 10 CFCEHM C[C@@H](N[C@@H]1CCCn2ncnc21)c1cc(Cl)ccc1[O-] ZINC000185662510 381697890 /nfs/dbraw/zinc/69/78/90/381697890.db2.gz XGWFYFIZWMOOKV-BXKDBHETSA-N -1 3 292.770 2.823 10 10 CFCEHM CC[C@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000281262973 385190053 /nfs/dbraw/zinc/19/00/53/385190053.db2.gz NEZYSONJZIALIN-LBPRGKRZSA-N -1 3 253.317 2.532 10 10 CFCEHM CC[C@@H](NCc1nnc2ccccn21)c1ccccc1[O-] ZINC000020185549 171048492 /nfs/dbraw/zinc/04/84/92/171048492.db2.gz RIUSYMBZJQXHNS-CYBMUJFWSA-N -1 3 282.347 2.676 10 10 CFCEHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N)cc1 ZINC000037376083 173165051 /nfs/dbraw/zinc/16/50/51/173165051.db2.gz UQRZEPINJNGVLV-UHFFFAOYSA-N -1 3 280.324 2.517 10 10 CFCEHM CN1CCN(Cc2cccc(F)c2[O-])c2ccccc21 ZINC000166375466 622201166 /nfs/dbraw/zinc/20/11/66/622201166.db2.gz ONNNOVDTGZJRMG-UHFFFAOYSA-N -1 3 272.323 2.988 10 10 CFCEHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000126871571 643705939 /nfs/dbraw/zinc/70/59/39/643705939.db2.gz GONMVFISQSHVCE-UWVGGRQHSA-N -1 3 255.745 2.655 10 10 CFCEHM CC1=NN[C@@H](c2cc(Br)ccc2[O-])C1 ZINC000584635461 348698268 /nfs/dbraw/zinc/69/82/68/348698268.db2.gz CTQOKZIASHJHKL-SECBINFHSA-N -1 3 255.115 2.565 10 10 CFCEHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCS1 ZINC000180041568 380613081 /nfs/dbraw/zinc/61/30/81/380613081.db2.gz KNQLQIUJSSAXSO-VIFPVBQESA-N -1 3 257.786 2.983 10 10 CFCEHM [O-]c1cc(Br)cc(OC(F)(F)F)c1O ZINC000575686777 382788194 /nfs/dbraw/zinc/78/81/94/382788194.db2.gz OXZUCXKLYDPQQB-UHFFFAOYSA-N -1 3 273.004 2.759 10 10 CFCEHM COc1ccc(C2=NN[C@H](c3cccs3)C2)c([O-])c1 ZINC000008472968 170336809 /nfs/dbraw/zinc/33/68/09/170336809.db2.gz YGRUPLWINOTYGS-LBPRGKRZSA-N -1 3 274.345 2.901 10 10 CFCEHM