smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](CC)C(C)C)s1 ZINC000736678191 944867451 /nfs/dbraw/zinc/86/74/51/944867451.db2.gz ADOXMRZVULIUJR-SNVBAGLBSA-N -1 3 321.450 3.501 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](CC)C(C)C)s1 ZINC000736678191 944867457 /nfs/dbraw/zinc/86/74/57/944867457.db2.gz ADOXMRZVULIUJR-SNVBAGLBSA-N -1 3 321.450 3.501 20 0 DHADHM Cc1ncc(CSc2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826330538 947961730 /nfs/dbraw/zinc/96/17/30/947961730.db2.gz YLYKOXXGZCEFJT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1ncc(CSc2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826330538 947961735 /nfs/dbraw/zinc/96/17/35/947961735.db2.gz YLYKOXXGZCEFJT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM C[C@H]1CCC[C@@H](CCSc2ccncc2-c2nnn[n-]2)C1 ZINC001576156959 949468434 /nfs/dbraw/zinc/46/84/34/949468434.db2.gz YPUNLQJFLHPCKI-RYUDHWBXSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CCC[C@@H](CCSc2ccncc2-c2nn[n-]n2)C1 ZINC001576156959 949468450 /nfs/dbraw/zinc/46/84/50/949468450.db2.gz YPUNLQJFLHPCKI-RYUDHWBXSA-N -1 3 303.435 3.570 20 0 DHADHM O=C([O-])c1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC001595242203 949477167 /nfs/dbraw/zinc/47/71/67/949477167.db2.gz PPIYCTVESJZION-LBPRGKRZSA-N -1 3 301.308 3.549 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC001594993393 951056797 /nfs/dbraw/zinc/05/67/97/951056797.db2.gz HDFNLLLDRYEHAS-SNVBAGLBSA-N -1 3 324.833 3.636 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000424425364 953482186 /nfs/dbraw/zinc/48/21/86/953482186.db2.gz YORVDKHWSYDFSW-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@H]1c2cc(F)cc(F)c2CCN1CCC1(C(=O)[O-])CCC1 ZINC000903695901 956882629 /nfs/dbraw/zinc/88/26/29/956882629.db2.gz MAZBFICASPBMCX-NSHDSACASA-N -1 3 309.356 3.529 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162570063 959217923 /nfs/dbraw/zinc/21/79/23/959217923.db2.gz CUHHIMWZWXQNNB-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])c1ccc(CN2CCCCCC2)c(Br)c1 ZINC000226718641 959896243 /nfs/dbraw/zinc/89/62/43/959896243.db2.gz ZGKVYZCBBCPNFR-UHFFFAOYSA-N -1 3 312.207 3.523 20 0 DHADHM CN(CCCc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231457303 960609509 /nfs/dbraw/zinc/60/95/09/960609509.db2.gz HMWIVTSQZBNKIF-UHFFFAOYSA-N -1 3 301.361 3.589 20 0 DHADHM CCOc1cccc(Cl)c1CN1CCCC[C@@H]1CC(=O)[O-] ZINC001573924579 961541796 /nfs/dbraw/zinc/54/17/96/961541796.db2.gz KVZRWKRXLOPCGQ-GFCCVEGCSA-N -1 3 311.809 3.568 20 0 DHADHM CC[C@H](C)[C@H](NCc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000263057354 962193805 /nfs/dbraw/zinc/19/38/05/962193805.db2.gz FCWUZRZPWPCEII-FZMZJTMJSA-N -1 3 310.463 3.780 20 0 DHADHM CC(C)Cc1coc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000894438292 1013363986 /nfs/dbraw/zinc/36/39/86/1013363986.db2.gz ZGCGHMJWMDDEFC-UHFFFAOYSA-N -1 3 316.254 3.682 20 0 DHADHM C[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366590 1013380658 /nfs/dbraw/zinc/38/06/58/1013380658.db2.gz BZKGGAWNOGWHIV-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])[C@@H]1CN(CCc2ccc(Cl)cc2)Cc2ccccc21 ZINC000308413235 963273726 /nfs/dbraw/zinc/27/37/26/963273726.db2.gz JFADOQZQOOXENH-QGZVFWFLSA-N -1 3 315.800 3.567 20 0 DHADHM CC[C@H](c1ccc(F)cc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315945428 963956901 /nfs/dbraw/zinc/95/69/01/963956901.db2.gz HVPRFTJBODWTMZ-TZMCWYRMSA-N -1 3 319.298 3.616 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1scnc1C(F)(F)F ZINC000096749172 1013538224 /nfs/dbraw/zinc/53/82/24/1013538224.db2.gz GSIDBMGAKFRUML-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c([O-])c1 ZINC000519777399 1013604496 /nfs/dbraw/zinc/60/44/96/1013604496.db2.gz TWDCMORJVFNNMU-IBGZPJMESA-N -1 3 313.372 3.666 20 0 DHADHM COc1ccc(OC(C)C)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC000625327976 1013666042 /nfs/dbraw/zinc/66/60/42/1013666042.db2.gz JTIABZKGPFQMPC-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CCC(C)(C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000674744345 1018119641 /nfs/dbraw/zinc/11/96/41/1018119641.db2.gz FKQZUMMSGUAWQF-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM CCc1ccccc1Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000683598573 1013712223 /nfs/dbraw/zinc/71/22/23/1013712223.db2.gz KMNTYCNOGQHJAW-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2ccccc2SC)c([O-])c1 ZINC000441381060 1013730802 /nfs/dbraw/zinc/73/08/02/1013730802.db2.gz IGFKRNVKYRRGBT-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM Cc1ccc(Nc2ccc(F)c(C(=O)N(C)C)c2)c(Cl)c1[O-] ZINC001211857816 1013740346 /nfs/dbraw/zinc/74/03/46/1013740346.db2.gz CMMGUHFSPLLBTK-UHFFFAOYSA-N -1 3 322.767 3.939 20 0 DHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1 ZINC000112496584 1013744343 /nfs/dbraw/zinc/74/43/43/1013744343.db2.gz JBFDMEQIOMNSRX-GFCCVEGCSA-N -1 3 304.415 3.704 20 0 DHADHM CC(C)Oc1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000263561712 967900935 /nfs/dbraw/zinc/90/09/35/967900935.db2.gz CHSGEXKGEHSKRG-AWEZNQCLSA-N -1 3 311.809 3.566 20 0 DHADHM COc1cc(Nc2cc(Cl)c([O-])cc2Cl)c(OC)cn1 ZINC001210309331 1013780400 /nfs/dbraw/zinc/78/04/00/1013780400.db2.gz HIODHYSKCQXROS-UHFFFAOYSA-N -1 3 315.156 3.855 20 0 DHADHM O=C(/C=C\c1ccc(Cl)s1)NCc1ccc([O-])c(F)c1 ZINC000255128306 1013840969 /nfs/dbraw/zinc/84/09/69/1013840969.db2.gz KVUJTGLIYUYESE-UTCJRWHESA-N -1 3 311.765 3.576 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000331196111 1013865924 /nfs/dbraw/zinc/86/59/24/1013865924.db2.gz LPYFMHNBLOYVAB-JDFRZJQESA-N -1 3 323.408 3.521 20 0 DHADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000188625497 1013890469 /nfs/dbraw/zinc/89/04/69/1013890469.db2.gz NUVDDUVVOIXBNX-UHFFFAOYSA-N -1 3 313.382 3.713 20 0 DHADHM O=S(=O)([N-][C@@H](c1ccccc1F)C1CCCC1)c1ccco1 ZINC000188756812 1013894290 /nfs/dbraw/zinc/89/42/90/1013894290.db2.gz VEYCDJAQARXDAH-MRXNPFEDSA-N -1 3 323.389 3.629 20 0 DHADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2)Cc2ccccc2O1 ZINC001603334143 972701680 /nfs/dbraw/zinc/70/16/80/972701680.db2.gz LMFUZEFQQYTNJR-UHFFFAOYSA-N -1 3 311.381 3.558 20 0 DHADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1C(F)(F)F ZINC000155632091 1014063923 /nfs/dbraw/zinc/06/39/23/1014063923.db2.gz LYIMGINGEQKHCT-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C(F)(F)F ZINC000155632091 1014063926 /nfs/dbraw/zinc/06/39/26/1014063926.db2.gz LYIMGINGEQKHCT-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM COC(=O)[C@@H]1CCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210859746 1014074355 /nfs/dbraw/zinc/07/43/55/1014074355.db2.gz MOOVKCPCPZZLMG-CYBMUJFWSA-N -1 3 317.772 3.992 20 0 DHADHM CC1(C)C(=O)NCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210859726 1014074462 /nfs/dbraw/zinc/07/44/62/1014074462.db2.gz LREZHKIQBGFHSH-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM CCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC001210956988 1014097639 /nfs/dbraw/zinc/09/76/39/1014097639.db2.gz AAHZAQNJHKQUSS-UHFFFAOYSA-N -1 3 319.829 3.728 20 0 DHADHM CC[C@@H]1CCCC[C@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000401539577 973369776 /nfs/dbraw/zinc/36/97/76/973369776.db2.gz ZXOFVHBRDRYPHG-RVKKMQEKSA-N -1 3 301.430 3.887 20 0 DHADHM O=C([O-])c1cccc2c1CCN(CCSc1ccccc1)C2 ZINC000317390203 1014118793 /nfs/dbraw/zinc/11/87/93/1014118793.db2.gz AUZXPJKUUDOJKU-UHFFFAOYSA-N -1 3 313.422 3.535 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@H](Oc3ccccc3)C2)oc1C(=O)[O-] ZINC000518990428 974326250 /nfs/dbraw/zinc/32/62/50/974326250.db2.gz GKLOAPMDRYHWLG-ZFWWWQNUSA-N -1 3 315.369 3.501 20 0 DHADHM COc1cc(C(=O)NCC[C@@H](C)CC(C)(C)C)cc(OC)c1[O-] ZINC000189476060 1014188705 /nfs/dbraw/zinc/18/87/05/1014188705.db2.gz QNJLQNGGMHWVOL-GFCCVEGCSA-N -1 3 323.433 3.602 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CCSC1CCCCC1)CC2 ZINC000563722941 974538352 /nfs/dbraw/zinc/53/83/52/974538352.db2.gz KKLWSFBJMUTBNM-UHFFFAOYSA-N -1 3 319.470 3.809 20 0 DHADHM CC[C@@H]1CCCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000565102008 974568975 /nfs/dbraw/zinc/56/89/75/974568975.db2.gz BWFDBTOCZSTQQJ-CYBMUJFWSA-N -1 3 311.809 3.682 20 0 DHADHM Cc1noc(Cl)c1CCC(=O)Nc1c([O-])cccc1Cl ZINC000557181986 1014202415 /nfs/dbraw/zinc/20/24/15/1014202415.db2.gz FBFDXRKBXBEJRH-UHFFFAOYSA-N -1 3 315.156 3.567 20 0 DHADHM CC[C@@H](CSC)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000566363142 974610545 /nfs/dbraw/zinc/61/05/45/974610545.db2.gz GBSBIRAWFZYFJE-LBPRGKRZSA-N -1 3 301.839 3.612 20 0 DHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(C)C ZINC000566803003 974621925 /nfs/dbraw/zinc/62/19/25/974621925.db2.gz QXLMXVIWUHIPQG-CABCVRRESA-N -1 3 323.433 3.702 20 0 DHADHM Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000568067196 974659290 /nfs/dbraw/zinc/65/92/90/974659290.db2.gz OQCOCKQTWMQILE-STQMWFEESA-N -1 3 316.426 3.528 20 0 DHADHM CC[C@H](CN(CC)Cc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000568890529 974680624 /nfs/dbraw/zinc/68/06/24/974680624.db2.gz KGIRYGWUSBXQRD-CYBMUJFWSA-N -1 3 318.442 3.857 20 0 DHADHM Cc1oc(CN(Cc2ccc(F)cc2)CC2CC2)cc1C(=O)[O-] ZINC000569731920 974697791 /nfs/dbraw/zinc/69/77/91/974697791.db2.gz BEPSJUDSNDXMBV-UHFFFAOYSA-N -1 3 317.360 3.838 20 0 DHADHM CCc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)nc1 ZINC000572127895 974741787 /nfs/dbraw/zinc/74/17/87/974741787.db2.gz YQCHQQKKMJQEMW-UHFFFAOYSA-N -1 3 312.413 3.511 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])cc1F)CC1(c2ccccc2)CC1 ZINC000582365967 974924949 /nfs/dbraw/zinc/92/49/49/974924949.db2.gz UGAWUSSJQRDLHR-UHFFFAOYSA-N -1 3 313.372 3.688 20 0 DHADHM O=C(CCC1CCOCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134213860 1014336927 /nfs/dbraw/zinc/33/69/27/1014336927.db2.gz WPDZFNHGOIOGBP-UHFFFAOYSA-N -1 3 317.307 3.556 20 0 DHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000055652256 1014384616 /nfs/dbraw/zinc/38/46/16/1014384616.db2.gz RGFLYGATJJTZGT-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM Cc1nc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)cs1 ZINC000049289003 1014385960 /nfs/dbraw/zinc/38/59/60/1014385960.db2.gz OWFANRODFKUYNJ-UHFFFAOYSA-N -1 3 316.760 3.513 20 0 DHADHM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1CC(=O)[O-] ZINC000722603442 978147201 /nfs/dbraw/zinc/14/72/01/978147201.db2.gz IYCGKUMAESWPIG-MWLCHTKSSA-N -1 3 302.201 3.536 20 0 DHADHM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1csc2ccccc12 ZINC000833695066 979224527 /nfs/dbraw/zinc/22/45/27/979224527.db2.gz XZDSDKBLTDAASM-UHFFFAOYSA-N -1 3 300.383 3.560 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000859804859 979635815 /nfs/dbraw/zinc/63/58/15/979635815.db2.gz VEXSAEMRZVZFKL-HNNXBMFYSA-N -1 3 303.358 3.570 20 0 DHADHM CC(C)c1cnc(CNC[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC000900082928 980249114 /nfs/dbraw/zinc/24/91/14/980249114.db2.gz AZFUMSVDMXHQBN-CYBMUJFWSA-N -1 3 310.463 3.637 20 0 DHADHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC001595276350 980298974 /nfs/dbraw/zinc/29/89/74/980298974.db2.gz DRTWDJJKYKUDSM-HUUCEWRRSA-N -1 3 305.399 3.623 20 0 DHADHM CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595284580 980359312 /nfs/dbraw/zinc/35/93/12/980359312.db2.gz YUTPYRGGRIFYGH-MSOLQXFVSA-N -1 3 311.381 3.819 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000901552780 980378400 /nfs/dbraw/zinc/37/84/00/980378400.db2.gz WDTJYKOGZMIIGD-ZIAGYGMSSA-N -1 3 317.429 3.578 20 0 DHADHM C[C@@H](CCc1ccccc1F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901909603 980622895 /nfs/dbraw/zinc/62/28/95/980622895.db2.gz DHSFCXWHKPZLQZ-QWRGUYRKSA-N -1 3 322.405 3.652 20 0 DHADHM C[C@@H](NC1CC(c2ccccc2F)C1)c1ncc(C(=O)[O-])s1 ZINC000901913605 980624662 /nfs/dbraw/zinc/62/46/62/980624662.db2.gz ZUTZIIOJTCVCRU-KPPDAEKUSA-N -1 3 320.389 3.577 20 0 DHADHM CC(C)(CNCc1cc(C(=O)[O-])no1)c1ccc2ccccc2c1 ZINC000902410884 980874670 /nfs/dbraw/zinc/87/46/70/980874670.db2.gz RSAWBMGWUPOQSQ-UHFFFAOYSA-N -1 3 324.380 3.593 20 0 DHADHM O=C([O-])/C=C\c1ccc(CNCC2(C(F)(F)F)CCCC2)o1 ZINC000902494053 980909181 /nfs/dbraw/zinc/90/91/81/980909181.db2.gz OHSIZOGJIQHFRE-WAYWQWQTSA-N -1 3 317.307 3.590 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902525852 980921795 /nfs/dbraw/zinc/92/17/95/980921795.db2.gz LZXWKCROWHRYOJ-QWRGUYRKSA-N -1 3 322.792 3.650 20 0 DHADHM O=C([O-])c1ccc(CNC2(c3cccc(Cl)c3)CC2)s1 ZINC000903677945 981011807 /nfs/dbraw/zinc/01/18/07/981011807.db2.gz DJIXANOLPHCTCK-UHFFFAOYSA-N -1 3 307.802 3.879 20 0 DHADHM CC[C@H]1CCC[C@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595441189 981079009 /nfs/dbraw/zinc/07/90/09/981079009.db2.gz ODTJTCGERROKRT-BLLLJJGKSA-N -1 3 314.385 3.708 20 0 DHADHM O=C([O-])CC[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904011884 981080350 /nfs/dbraw/zinc/08/03/50/981080350.db2.gz KLVHREARCJAKBE-SFHVURJKSA-N -1 3 324.424 3.656 20 0 DHADHM CC[C@@H]1Cc2ccccc2CN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595499875 981267942 /nfs/dbraw/zinc/26/79/42/981267942.db2.gz QMJGKICPWMWTNC-ZBTGYSDGSA-N -1 3 311.381 3.714 20 0 DHADHM CCC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521641233 1014752618 /nfs/dbraw/zinc/75/26/18/1014752618.db2.gz HWFJYNNOALGUGL-VIFPVBQESA-N -1 3 310.246 3.850 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)/C=C/C(C)C)nc(=O)c2c1C ZINC000785042202 1014787551 /nfs/dbraw/zinc/78/75/51/1014787551.db2.gz KOUAPJFTABFOAM-VQCYPWCPSA-N -1 3 320.414 3.830 20 0 DHADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)c(C)c1 ZINC000656564310 1014868756 /nfs/dbraw/zinc/86/87/56/1014868756.db2.gz JAPBWUQLDWBCMC-MRXNPFEDSA-N -1 3 319.426 3.761 20 0 DHADHM CCCN(Cc1oncc1C(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595891443 982926037 /nfs/dbraw/zinc/92/60/37/982926037.db2.gz SJKOLXAFXPGGAM-HNNXBMFYSA-N -1 3 302.374 3.736 20 0 DHADHM CCCc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001596068462 983381334 /nfs/dbraw/zinc/38/13/34/983381334.db2.gz FTODQAMWUMEZEP-UHFFFAOYSA-N -1 3 309.409 3.896 20 0 DHADHM CCN(CCC(F)(F)F)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001596321182 983754022 /nfs/dbraw/zinc/75/40/22/983754022.db2.gz HRZGEJOLEQTIJX-UHFFFAOYSA-N -1 3 314.307 3.640 20 0 DHADHM CC(C)Oc1ccc(COc2ccnc(=S)[n-]2)cc1Cl ZINC001226942687 1015058681 /nfs/dbraw/zinc/05/86/81/1015058681.db2.gz OMKLUTRXNBAEPT-UHFFFAOYSA-N -1 3 310.806 3.785 20 0 DHADHM C/C(=C/c1ccccc1)CN(C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001589003740 984956143 /nfs/dbraw/zinc/95/61/43/984956143.db2.gz JYOKUCKHTFNGSJ-UVTDQMKNSA-N -1 3 312.413 3.567 20 0 DHADHM Cc1ccccc1C1(C(=O)NCc2ncccc2[O-])CCCCC1 ZINC000684350365 1015093761 /nfs/dbraw/zinc/09/37/61/1015093761.db2.gz LGCVBBMXMNZIHU-UHFFFAOYSA-N -1 3 324.424 3.614 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(OCC(C)C)c2)c1 ZINC000614710581 1015127255 /nfs/dbraw/zinc/12/72/55/1015127255.db2.gz BQHBQFZVOOPKMW-UHFFFAOYSA-N -1 3 315.369 3.688 20 0 DHADHM CCOCc1ccccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001596950740 986114591 /nfs/dbraw/zinc/11/45/91/986114591.db2.gz MIQLDWLDRJYWNI-UHFFFAOYSA-N -1 3 313.397 3.520 20 0 DHADHM CCC(C)(C)c1nnc([N-][C@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000895555665 1015202014 /nfs/dbraw/zinc/20/20/14/1015202014.db2.gz QDMNNUKWASZSEX-AAEUAGOBSA-N -1 3 305.353 3.641 20 0 DHADHM CCOc1cccc(F)c1CNC[C@H](CC1CCCC1)C(=O)[O-] ZINC001597159194 986958723 /nfs/dbraw/zinc/95/87/23/986958723.db2.gz CDKHRFOVNUFCQV-AWEZNQCLSA-N -1 3 323.408 3.595 20 0 DHADHM O=C(NC[C@@H]1CCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000452813954 1015277080 /nfs/dbraw/zinc/27/70/80/1015277080.db2.gz HMSRIPOVVIJDCQ-ZDUSSCGKSA-N -1 3 305.324 3.711 20 0 DHADHM CCS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001597258654 987271354 /nfs/dbraw/zinc/27/13/54/987271354.db2.gz QMIGQAUEONCAMR-CQSZACIVSA-N -1 3 311.422 3.632 20 0 DHADHM CCSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001597273216 987327336 /nfs/dbraw/zinc/32/73/36/987327336.db2.gz UENGIDQHJWKEEM-GFCCVEGCSA-N -1 3 318.442 3.686 20 0 DHADHM CC[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1 ZINC001597291414 987377293 /nfs/dbraw/zinc/37/72/93/987377293.db2.gz HJMWMXPBITYELP-WMLDXEAASA-N -1 3 313.397 3.952 20 0 DHADHM CCc1[nH]c(CN2CCC[C@@H]2c2ccccc2C)cc1C(=O)[O-] ZINC001597386718 987607600 /nfs/dbraw/zinc/60/76/00/987607600.db2.gz NPEPPEVPHXFSAD-GOSISDBHSA-N -1 3 312.413 3.921 20 0 DHADHM CSc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1 ZINC001599826224 988602486 /nfs/dbraw/zinc/60/24/86/988602486.db2.gz IIDZTCDBJNFQFS-LRDDRELGSA-N -1 3 301.411 3.885 20 0 DHADHM CCc1cnccc1[C@@H](C)NCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001597636764 988618993 /nfs/dbraw/zinc/61/89/93/988618993.db2.gz JXCJRLBDNOGECH-CQSZACIVSA-N -1 3 324.424 3.611 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000097437564 1015421213 /nfs/dbraw/zinc/42/12/13/1015421213.db2.gz UXVDUUOIELFULA-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM C[C@@H](NCc1[nH]cc(C(=O)[O-])c1C1CC1)c1ccc(F)cc1 ZINC001599841623 988845423 /nfs/dbraw/zinc/84/54/23/988845423.db2.gz XQABMRSZJOJLNG-SNVBAGLBSA-N -1 3 302.349 3.580 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O)c1 ZINC001599841602 988846288 /nfs/dbraw/zinc/84/62/88/988846288.db2.gz VMBLOBVCOXFUDS-SNVBAGLBSA-N -1 3 305.761 3.595 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1Cl ZINC000657054542 1015546727 /nfs/dbraw/zinc/54/67/27/1015546727.db2.gz UEJDUXCYVKJCJU-ZANVPECISA-N -1 3 320.241 3.523 20 0 DHADHM C[C@@H]1CCC[C@H](C)N(Cc2ncc(Br)cc2[O-])C1 ZINC001204776500 1015624367 /nfs/dbraw/zinc/62/43/67/1015624367.db2.gz OQOGMMLWZQWXKW-MNOVXSKESA-N -1 3 313.239 3.560 20 0 DHADHM CN(Cc1cccc(Cl)c1Cl)CC1(CC(=O)[O-])CC1 ZINC001598525977 992721340 /nfs/dbraw/zinc/72/13/40/992721340.db2.gz AMNGBSXMBTYSKB-UHFFFAOYSA-N -1 3 302.201 3.680 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)C3CC3)nc2)n1 ZINC000896786158 1015743823 /nfs/dbraw/zinc/74/38/23/1015743823.db2.gz ULQHETGXKNONQC-UHFFFAOYSA-N -1 3 312.417 3.655 20 0 DHADHM O=C(CCCCCc1ccc(F)cc1)[N-]OCc1ccccn1 ZINC000909542758 1015797537 /nfs/dbraw/zinc/79/75/37/1015797537.db2.gz YSPIOAJGDMBIRL-UHFFFAOYSA-N -1 3 316.376 3.572 20 0 DHADHM C[C@@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cncs1 ZINC001593220387 994311947 /nfs/dbraw/zinc/31/19/47/994311947.db2.gz RYRLTRLHNDSBJS-QMTHXVAHSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@@H](NCCC1(c2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593262277 994553025 /nfs/dbraw/zinc/55/30/25/994553025.db2.gz RDLKCTSQPWMACN-GFCCVEGCSA-N -1 3 316.426 3.614 20 0 DHADHM C[C@H](NCC/C=C/c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265148 994570099 /nfs/dbraw/zinc/57/00/99/994570099.db2.gz QGJRERWOZZERQB-LHXVZLOVSA-N -1 3 302.399 3.595 20 0 DHADHM COc1cccc([C@@H](N[C@@H]2CCCc3sccc32)C(=O)[O-])c1 ZINC001599659402 994632404 /nfs/dbraw/zinc/63/24/04/994632404.db2.gz XYCJELHCJBYGHR-GDBMZVCRSA-N -1 3 317.410 3.550 20 0 DHADHM C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(=O)[O-])co1 ZINC001593285800 994639059 /nfs/dbraw/zinc/63/90/59/994639059.db2.gz JMNYLVPGCZKFGQ-APHBMKBZSA-N -1 3 315.369 3.549 20 0 DHADHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccc2ncsc2c1 ZINC001593310505 994774128 /nfs/dbraw/zinc/77/41/28/994774128.db2.gz JHCXJRYFTRVSOI-VIFPVBQESA-N -1 3 318.423 3.907 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000150945310 1016006918 /nfs/dbraw/zinc/00/69/18/1016006918.db2.gz QZEBBGXOGCXKNL-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001593724989 996272018 /nfs/dbraw/zinc/27/20/18/996272018.db2.gz KRNBAIHRTUZMHZ-AGIUHOORSA-N -1 3 306.406 3.582 20 0 DHADHM COc1ccccc1[C@H](NCc1nc(C)ccc1[O-])c1ccco1 ZINC000151133660 1016022030 /nfs/dbraw/zinc/02/20/30/1016022030.db2.gz JWQFVPPZCXWAFC-IBGZPJMESA-N -1 3 324.380 3.576 20 0 DHADHM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1(C)C ZINC001593940762 996954708 /nfs/dbraw/zinc/95/47/08/996954708.db2.gz RCIGVRWEVSPADW-GFCCVEGCSA-N -1 3 315.335 3.952 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2C)cc1F ZINC001599512289 997318216 /nfs/dbraw/zinc/31/82/16/997318216.db2.gz ZJRIXVMFTRIHNS-SJKOYZFVSA-N -1 3 317.360 3.619 20 0 DHADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599534049 997710350 /nfs/dbraw/zinc/71/03/50/997710350.db2.gz COGQMDQLAZKDOT-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599534048 997710544 /nfs/dbraw/zinc/71/05/44/997710544.db2.gz COGQMDQLAZKDOT-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM COCCN(Cc1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC001599238048 997982386 /nfs/dbraw/zinc/98/23/86/997982386.db2.gz HWVHZBXDHLOOLB-ZDUSSCGKSA-N -1 3 319.426 3.656 20 0 DHADHM Cc1ccc(-c2nc(CNCC[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC000277303515 1016173499 /nfs/dbraw/zinc/17/34/99/1016173499.db2.gz MZZGREMUXXFZQP-CYBMUJFWSA-N -1 3 318.442 3.709 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2cccc(Cl)c2C1 ZINC001299161047 1016176263 /nfs/dbraw/zinc/17/62/63/1016176263.db2.gz VWFRKDLTKCGZDC-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM CC1=C(C)CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001594110355 998208170 /nfs/dbraw/zinc/20/81/70/998208170.db2.gz USMCTHJYXCGXTN-CQSZACIVSA-N -1 3 313.319 3.873 20 0 DHADHM CC1=C(C)CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594110434 998210083 /nfs/dbraw/zinc/21/00/83/998210083.db2.gz WAHGRWSKLBOZQD-AWEZNQCLSA-N -1 3 313.319 3.873 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000277361424 1016243000 /nfs/dbraw/zinc/24/30/00/1016243000.db2.gz AQNWWYRBPHOLFO-LLVKDONJSA-N -1 3 315.335 3.930 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC001594216146 998830570 /nfs/dbraw/zinc/83/05/70/998830570.db2.gz UOFODFXTMSCBGZ-WCBMZHEXSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000892141853 1016292451 /nfs/dbraw/zinc/29/24/51/1016292451.db2.gz WOAGNVTWJXVYQA-BDJLRTHQSA-N -1 3 307.390 3.555 20 0 DHADHM CCC[C@H](C)CCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269155 1016340995 /nfs/dbraw/zinc/34/09/95/1016340995.db2.gz DUMDCWHTGGMDCL-KBPBESRZSA-N -1 3 307.438 3.544 20 0 DHADHM CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000622386725 1016385824 /nfs/dbraw/zinc/38/58/24/1016385824.db2.gz DFWUNLITTFZQBB-OAHLLOKOSA-N -1 3 307.409 3.891 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000622412670 1016396186 /nfs/dbraw/zinc/39/61/86/1016396186.db2.gz WWSHDALQOVFRHI-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM Cc1nc(CC(C)C)c(NC(=O)c2cccc(C)c2[O-])s1 ZINC000622439030 1016410890 /nfs/dbraw/zinc/41/08/90/1016410890.db2.gz VHSBDHHEKVNYLK-UHFFFAOYSA-N -1 3 304.415 3.916 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCCc3sccc32)c1 ZINC000684780858 1016449356 /nfs/dbraw/zinc/44/93/56/1016449356.db2.gz FAWWFWSXAXVLND-UHFFFAOYSA-N -1 3 301.411 3.999 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c([O-])c1 ZINC000622573148 1016475688 /nfs/dbraw/zinc/47/56/88/1016475688.db2.gz FGBUOJSQKQEORZ-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c1[O-] ZINC000622573694 1016476751 /nfs/dbraw/zinc/47/67/51/1016476751.db2.gz SWACLJHATPPNFX-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCOC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC000622619753 1016501140 /nfs/dbraw/zinc/50/11/40/1016501140.db2.gz VRIDNDMMHGZZKC-UHFFFAOYSA-N -1 3 305.418 3.595 20 0 DHADHM CSc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1C ZINC000342476794 1016564325 /nfs/dbraw/zinc/56/43/25/1016564325.db2.gz XXTAQWGCIISLPP-UHFFFAOYSA-N -1 3 324.405 3.811 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2scnc2C2CC2)c(F)c1 ZINC000347225394 1016795885 /nfs/dbraw/zinc/79/58/85/1016795885.db2.gz XSYPAPYAJPDENU-UHFFFAOYSA-N -1 3 322.336 3.754 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccn1Cc1cccs1 ZINC000174883276 1016844094 /nfs/dbraw/zinc/84/40/94/1016844094.db2.gz JYQCJDYJHDLPLH-UHFFFAOYSA-N -1 3 316.357 3.695 20 0 DHADHM COCOc1ccccc1Nc1nc2c(cccc2[O-])s1 ZINC001211549501 1016958428 /nfs/dbraw/zinc/95/84/28/1016958428.db2.gz LYDYCCTVFIGXDL-UHFFFAOYSA-N -1 3 302.355 3.728 20 0 DHADHM CC(C)CN(CC(C)C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117318839 1033337932 /nfs/dbraw/zinc/33/79/32/1033337932.db2.gz XYQPBCRCPPOEHY-UHFFFAOYSA-N -1 3 319.478 3.574 20 0 DHADHM CCc1cccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1[O-] ZINC001147709161 1032335106 /nfs/dbraw/zinc/33/51/06/1032335106.db2.gz FLURCQGEMBNJSC-LBPRGKRZSA-N -1 3 313.372 3.853 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccc(C)o2)c1 ZINC001147910383 1032353543 /nfs/dbraw/zinc/35/35/43/1032353543.db2.gz PUICEDVWCUABFX-NSHDSACASA-N -1 3 319.426 3.767 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1[O-] ZINC001148668854 1032431282 /nfs/dbraw/zinc/43/12/82/1032431282.db2.gz LGXKUDVSYCMPRZ-RISCZKNCSA-N -1 3 303.402 3.539 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2c(C)ccc3cccnc32)ccc1[O-] ZINC001148662908 1032432145 /nfs/dbraw/zinc/43/21/45/1032432145.db2.gz UKZGXHOFHPHQAX-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM CC[C@H](C)C1CCC(NC(=O)c2ccc([O-])c(C(C)=O)c2)CC1 ZINC001148671365 1032432391 /nfs/dbraw/zinc/43/23/91/1032432391.db2.gz SSQIBMRPYGWXLK-YGONEPDPSA-N -1 3 317.429 3.930 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(F)(F)F)c2C)n1 ZINC001148738432 1032436700 /nfs/dbraw/zinc/43/67/00/1032436700.db2.gz BPPYJMBTONPLBP-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001148899321 1032451494 /nfs/dbraw/zinc/45/14/94/1032451494.db2.gz RKNMVIDQQZQCFL-UHFFFAOYSA-N -1 3 309.409 3.707 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000049406984 1011896821 /nfs/dbraw/zinc/89/68/21/1011896821.db2.gz SWSZVKWHHSHZTD-IPLHWJFFSA-N -1 3 319.408 3.908 20 0 DHADHM CC[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001167048756 1012008389 /nfs/dbraw/zinc/00/83/89/1012008389.db2.gz QBYHSVZDWUTZEZ-SFHVURJKSA-N -1 3 309.409 3.901 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCC[C@H]4C[C@H]43)nc2)n1 ZINC000664386079 1012009096 /nfs/dbraw/zinc/00/90/96/1012009096.db2.gz LNXGQXOFYPUFEN-HEHGZKQESA-N -1 3 324.428 3.655 20 0 DHADHM CC(=O)c1c(C)cc(C)c(C[S@@](=O)c2ccc([O-])cc2)c1C ZINC000108085352 1012378987 /nfs/dbraw/zinc/37/89/87/1012378987.db2.gz XXBXRVPEGLCWTJ-QFIPXVFZSA-N -1 3 316.422 3.828 20 0 DHADHM Cc1oc(-c2cccs2)nc1C[S@](=O)c1ccc([O-])cc1 ZINC000108086285 1012383216 /nfs/dbraw/zinc/38/32/16/1012383216.db2.gz HMOVLZKGUKUYOE-OAQYLSRUSA-N -1 3 319.407 3.725 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)nc1 ZINC000514796093 1012447837 /nfs/dbraw/zinc/44/78/37/1012447837.db2.gz BUNYQFDXAFLDBC-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM CCc1ccc(OCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000514881673 1012482497 /nfs/dbraw/zinc/48/24/97/1012482497.db2.gz YOYHPPDNXYSCQP-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CCc1cccc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)c1[O-] ZINC000515110183 1012561206 /nfs/dbraw/zinc/56/12/06/1012561206.db2.gz RSADUDROMNPRBC-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM CSc1c(F)cccc1[N-]C(=O)c1c(C)noc1C1CC1 ZINC000857637490 1032638124 /nfs/dbraw/zinc/63/81/24/1032638124.db2.gz AVPRXJXLTCTAKI-UHFFFAOYSA-N -1 3 306.362 3.974 20 0 DHADHM Cc1ccc(C(=O)N2CC3(CC3)Oc3ccccc32)c([O-])c1C ZINC000890620220 1012612078 /nfs/dbraw/zinc/61/20/78/1012612078.db2.gz YPCUMMJJUNOVSL-UHFFFAOYSA-N -1 3 309.365 3.581 20 0 DHADHM CCCCOc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000436645984 1012763010 /nfs/dbraw/zinc/76/30/10/1012763010.db2.gz FPGZPDAIYCEKHL-UHFFFAOYSA-N -1 3 301.342 3.529 20 0 DHADHM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000342743826 1017144563 /nfs/dbraw/zinc/14/45/63/1017144563.db2.gz KIKIRBARTHOTHJ-GOSISDBHSA-N -1 3 315.800 3.849 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C(F)F)cc2)cc1 ZINC000185788197 1017181105 /nfs/dbraw/zinc/18/11/05/1017181105.db2.gz WPQPMNPLXXEJHU-UHFFFAOYSA-N -1 3 305.324 3.723 20 0 DHADHM CCS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277812196 1017215126 /nfs/dbraw/zinc/21/51/26/1017215126.db2.gz WJOZHRAUVBQXMI-CMPLNLGQSA-N -1 3 313.850 3.840 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cnc(-c2ccco2)s1 ZINC000179146762 1017216025 /nfs/dbraw/zinc/21/60/25/1017216025.db2.gz LQBRGVBQLKAPAK-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCc2c1cccc2Cl ZINC000185835387 1017354421 /nfs/dbraw/zinc/35/44/21/1017354421.db2.gz VTJRROSDZQFYET-JLHYYAGUSA-N -1 3 324.767 3.542 20 0 DHADHM COc1cnccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000350932771 1017373228 /nfs/dbraw/zinc/37/32/28/1017373228.db2.gz APSQHWKPLKVFET-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)c1 ZINC000029046490 1017375521 /nfs/dbraw/zinc/37/55/21/1017375521.db2.gz GHQOSSOEOWDQFF-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1sc2ncnc(NCc3ccc([O-])c(F)c3)c2c1C ZINC000078020148 1017503462 /nfs/dbraw/zinc/50/34/62/1017503462.db2.gz CNCMBIHJYRGMGK-UHFFFAOYSA-N -1 3 303.362 3.765 20 0 DHADHM CS[C@H](C)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000773317662 1032710085 /nfs/dbraw/zinc/71/00/85/1032710085.db2.gz HZKJFSGMHORFPW-SNVBAGLBSA-N -1 3 321.364 3.785 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000181412979 1017748005 /nfs/dbraw/zinc/74/80/05/1017748005.db2.gz XTOISGNMAHUEMO-UHFFFAOYSA-N -1 3 323.314 3.644 20 0 DHADHM CCC[C@@H](NCc1nc(CC)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000181663497 1017785760 /nfs/dbraw/zinc/78/57/60/1017785760.db2.gz SUXJDXGHEIXNBH-OAHLLOKOSA-N -1 3 321.371 3.654 20 0 DHADHM O=C(Nc1cccc(OC2CCCC2)c1)c1cccc2n[n-]nc21 ZINC000182702964 1017946053 /nfs/dbraw/zinc/94/60/53/1017946053.db2.gz YULLSUHKHWNITF-UHFFFAOYSA-N -1 3 322.368 3.532 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(O)ccc1C(F)(F)F ZINC000193706790 1018155031 /nfs/dbraw/zinc/15/50/31/1018155031.db2.gz XXDSZOVHOHGNSQ-UHFFFAOYSA-N -1 3 315.222 3.508 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1ccoc1Br ZINC000928786320 1018160499 /nfs/dbraw/zinc/16/04/99/1018160499.db2.gz BJFZFQNAMAWSNP-UHFFFAOYSA-N -1 3 313.151 3.714 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(F)cc(F)cc2C1 ZINC000343097002 1018164571 /nfs/dbraw/zinc/16/45/71/1018164571.db2.gz SDWRUPOTFLNTHA-UHFFFAOYSA-N -1 3 323.726 3.522 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C3CCCCCCC3)n[n-]2)o1 ZINC000764337715 1018248068 /nfs/dbraw/zinc/24/80/68/1018248068.db2.gz KMPFAHZJBWEZCE-UHFFFAOYSA-N -1 3 302.378 3.672 20 0 DHADHM Cc1ccc(N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000764473982 1018289462 /nfs/dbraw/zinc/28/94/62/1018289462.db2.gz UZVXKMNJJGTRAW-UHFFFAOYSA-N -1 3 324.355 3.561 20 0 DHADHM Cc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc(C)c1F ZINC000675222543 1018303019 /nfs/dbraw/zinc/30/30/19/1018303019.db2.gz PUICYARBYVCAER-UHFFFAOYSA-N -1 3 302.736 3.999 20 0 DHADHM COc1cc(SC)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000446985695 1018311020 /nfs/dbraw/zinc/31/10/20/1018311020.db2.gz BFNKAEFHEPTRBQ-UHFFFAOYSA-N -1 3 317.410 3.992 20 0 DHADHM [O-]c1cc(Cl)c(CN2CC(F)(F)C[C@H]2CF)c(Cl)c1 ZINC001142106044 1018319411 /nfs/dbraw/zinc/31/94/11/1018319411.db2.gz XJAVOWVXAKLFGO-ZETCQYMHSA-N -1 3 314.134 3.878 20 0 DHADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccccc1F ZINC000874909772 1032758852 /nfs/dbraw/zinc/75/88/52/1032758852.db2.gz DUMUDOFUCNOLBV-OAHLLOKOSA-N -1 3 315.344 3.525 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000041332013 1018384867 /nfs/dbraw/zinc/38/48/67/1018384867.db2.gz GIVLFTRSFUJWTK-UHFFFAOYSA-N -1 3 305.334 3.799 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(F)c1Cl ZINC000447554795 1018409274 /nfs/dbraw/zinc/40/92/74/1018409274.db2.gz ZFVDLGLPIDONRH-UHFFFAOYSA-N -1 3 311.715 3.562 20 0 DHADHM CC(C)c1ccc(/C=C\CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000764944008 1018439209 /nfs/dbraw/zinc/43/92/09/1018439209.db2.gz IUJFTLQAKRJWTL-XFHJGTJQSA-N -1 3 303.402 3.788 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(F)c(-c3cccs3)c2)S1 ZINC000874928643 1032764383 /nfs/dbraw/zinc/76/43/83/1032764383.db2.gz SPTPIEHXFYBBAK-GHXNOFRVSA-N -1 3 305.355 3.878 20 0 DHADHM Cc1cc(-c2noc(-c3ccc([O-])cn3)n2)cc(C(F)(F)F)c1 ZINC001212557886 1018462230 /nfs/dbraw/zinc/46/22/30/1018462230.db2.gz GGOWMQPWLLSMTP-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)nc1 ZINC001212558020 1018462471 /nfs/dbraw/zinc/46/24/71/1018462471.db2.gz NIKGLEXDXFEGNK-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001127826823 1018477478 /nfs/dbraw/zinc/47/74/78/1018477478.db2.gz UNUPIXICGCDCIG-DGCLKSJQSA-N -1 3 317.326 3.963 20 0 DHADHM C[C@H](NCc1nc2c(s1)CCCC2)c1cc([O-])cc(F)c1 ZINC000926918839 1032762742 /nfs/dbraw/zinc/76/27/42/1032762742.db2.gz KTMSNNRTLFSBLO-JTQLQIEISA-N -1 3 306.406 3.717 20 0 DHADHM CCN(CC)C(=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213388628 1018532840 /nfs/dbraw/zinc/53/28/40/1018532840.db2.gz DENLFLBTPDKXHJ-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccsc1C(F)(F)F ZINC000704329646 1018550290 /nfs/dbraw/zinc/55/02/90/1018550290.db2.gz RUSGXRDQYLHBRQ-JTQLQIEISA-N -1 3 307.337 3.596 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(-c3ccccc3)c[nH]2)n1 ZINC000676055550 1018650484 /nfs/dbraw/zinc/65/04/84/1018650484.db2.gz FKPSIJCQDNQHHP-NSHDSACASA-N -1 3 312.398 3.734 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccc(F)cc2s1 ZINC000676218897 1018683681 /nfs/dbraw/zinc/68/36/81/1018683681.db2.gz IULHDWISRLVDQL-UHFFFAOYSA-N -1 3 319.332 3.815 20 0 DHADHM CCc1ncc(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000109109465 1018737807 /nfs/dbraw/zinc/73/78/07/1018737807.db2.gz NMEJJDJNSHUEJT-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c1 ZINC000676595641 1018782387 /nfs/dbraw/zinc/78/23/87/1018782387.db2.gz CBBXMZINYZHHRV-UHFFFAOYSA-N -1 3 317.295 3.698 20 0 DHADHM CCc1ccc(-c2nc(-c3ccccc3COC)no2)c([O-])c1 ZINC000685255660 1018854961 /nfs/dbraw/zinc/85/49/61/1018854961.db2.gz BXUOYNZRBPTZND-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM Cc1cccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000354716159 1018866013 /nfs/dbraw/zinc/86/60/13/1018866013.db2.gz JGXFFVDTJKNPLV-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000022305625 1018968190 /nfs/dbraw/zinc/96/81/90/1018968190.db2.gz ADZKUBAPAWLKDX-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000023547149 1018984792 /nfs/dbraw/zinc/98/47/92/1018984792.db2.gz UZLPJVJKBNTHMQ-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c([O-])c1 ZINC000024073268 1018992688 /nfs/dbraw/zinc/99/26/88/1018992688.db2.gz CZZHRWDLNTZQDP-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM O=C(NCc1nc(C2CC2)cs1)c1cc([O-])c2ccccc2c1 ZINC000355119128 1019088225 /nfs/dbraw/zinc/08/82/25/1019088225.db2.gz QKWYMHIRFPOVBK-UHFFFAOYSA-N -1 3 324.405 3.809 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncoc1-c1ccccc1 ZINC000112114523 1019091267 /nfs/dbraw/zinc/09/12/67/1019091267.db2.gz RHRUIETVMOZYRY-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(COC(C)C)nc(=O)c12 ZINC000080715653 1019104564 /nfs/dbraw/zinc/10/45/64/1019104564.db2.gz GVEQEFWTTMXAIR-SNVBAGLBSA-N -1 3 308.447 3.807 20 0 DHADHM CCC(CC)c1nnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000026560104 1019127802 /nfs/dbraw/zinc/12/78/02/1019127802.db2.gz FDCDILZQFLFJLT-UHFFFAOYSA-N -1 3 305.403 3.708 20 0 DHADHM CCCOc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000027070144 1019138063 /nfs/dbraw/zinc/13/80/63/1019138063.db2.gz KWUZUTGFMIDTJJ-UHFFFAOYSA-N -1 3 322.364 3.569 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c([O-])c1 ZINC000029368250 1019176993 /nfs/dbraw/zinc/17/69/93/1019176993.db2.gz XXMFWQXXGSJRTF-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM COc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c([O-])c1 ZINC000030656559 1019202923 /nfs/dbraw/zinc/20/29/23/1019202923.db2.gz LSZBRMGUXDPNFO-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM CC(C)c1nn(C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000356334169 1019213971 /nfs/dbraw/zinc/21/39/71/1019213971.db2.gz BWIVNPDWNUARGR-UHFFFAOYSA-N -1 3 309.369 3.655 20 0 DHADHM CC(C)Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000081945129 1019247076 /nfs/dbraw/zinc/24/70/76/1019247076.db2.gz AHARWADYKHELMH-UHFFFAOYSA-N -1 3 305.765 3.513 20 0 DHADHM CC(C)c1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)C(F)F)CC2 ZINC001128250933 1019248164 /nfs/dbraw/zinc/24/81/64/1019248164.db2.gz IPWFPDPYOLXKEZ-GFCCVEGCSA-N -1 3 303.299 3.814 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000626032106 1019262900 /nfs/dbraw/zinc/26/29/00/1019262900.db2.gz XDSJPQBRMIWLPC-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1csc2ccccc12 ZINC000073974355 1019314278 /nfs/dbraw/zinc/31/42/78/1019314278.db2.gz QPJTVDOLSWFWKO-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc2O1 ZINC000472086348 1019325220 /nfs/dbraw/zinc/32/52/20/1019325220.db2.gz WDNHYZYJXVBVPH-CYBMUJFWSA-N -1 3 319.360 3.973 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1Cc1ccc(F)cc1 ZINC001212477489 1019396419 /nfs/dbraw/zinc/39/64/19/1019396419.db2.gz GFVOKQRSKVSRHP-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM Cc1nc(Cl)c(Nc2cc(F)cc(F)c2[O-])c(Cl)n1 ZINC001212479753 1019411687 /nfs/dbraw/zinc/41/16/87/1019411687.db2.gz QFBMXIDXGCZJFW-UHFFFAOYSA-N -1 3 306.099 3.819 20 0 DHADHM O=C(NCCC[C@H]1CCCCO1)c1cc([O-])c2ccccc2c1 ZINC000279392298 1019654315 /nfs/dbraw/zinc/65/43/15/1019654315.db2.gz ACKFPZGVKXDHFO-MRXNPFEDSA-N -1 3 313.397 3.625 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c([O-])c1 ZINC000171230722 1019723866 /nfs/dbraw/zinc/72/38/66/1019723866.db2.gz TXWMEWGBNLUFJX-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccn1Cc1ccccc1 ZINC000128772189 1019727386 /nfs/dbraw/zinc/72/73/86/1019727386.db2.gz KZKOUROGBXYQPI-UHFFFAOYSA-N -1 3 310.328 3.633 20 0 DHADHM O=C(Nc1cccc2c1OCO2)c1cc([O-])c2ccccc2c1 ZINC000525931278 1019729131 /nfs/dbraw/zinc/72/91/31/1019729131.db2.gz JWUYHFDGTOIVJY-UHFFFAOYSA-N -1 3 307.305 3.526 20 0 DHADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC000525924567 1019729253 /nfs/dbraw/zinc/72/92/53/1019729253.db2.gz JIOLBDJXBJEMNZ-UHFFFAOYSA-N -1 3 309.340 3.923 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000280817577 1019730609 /nfs/dbraw/zinc/73/06/09/1019730609.db2.gz NBDCYTCAXRBOPB-ZDUSSCGKSA-N -1 3 323.314 3.960 20 0 DHADHM O=C(NC1CCC(F)(F)CC1)c1cc([O-])c2ccccc2c1 ZINC000526920676 1019739261 /nfs/dbraw/zinc/73/92/61/1019739261.db2.gz LMENKSLXZPIKCT-UHFFFAOYSA-N -1 3 305.324 3.853 20 0 DHADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527476340 1019751438 /nfs/dbraw/zinc/75/14/38/1019751438.db2.gz MLCAATCLEKNTRL-IINYFYTJSA-N -1 3 323.314 3.958 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)Oc1ccccc1 ZINC000527455575 1019751721 /nfs/dbraw/zinc/75/17/21/1019751721.db2.gz GXUUKAZXLAVEGE-AWEZNQCLSA-N -1 3 321.376 3.743 20 0 DHADHM Cc1ccc(C(=O)NCCc2ccccc2C(F)(F)F)c([O-])c1 ZINC000065139490 1019897058 /nfs/dbraw/zinc/89/70/58/1019897058.db2.gz HAYYOCORZZJAKC-UHFFFAOYSA-N -1 3 323.314 3.692 20 0 DHADHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000065268780 1019899267 /nfs/dbraw/zinc/89/92/67/1019899267.db2.gz FRCYNVAOMZXPIZ-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1C(F)(F)F ZINC000065718179 1019921946 /nfs/dbraw/zinc/92/19/46/1019921946.db2.gz FQVZBNFAGKNRQH-JTQLQIEISA-N -1 3 309.287 3.902 20 0 DHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1csc2ccccc21 ZINC000729962475 1019931160 /nfs/dbraw/zinc/93/11/60/1019931160.db2.gz YUHIISFZLLERTQ-JTQLQIEISA-N -1 3 313.378 3.804 20 0 DHADHM O=C(NCCCSc1ccccc1)c1cc([O-])ccc1Cl ZINC000685567451 1019953986 /nfs/dbraw/zinc/95/39/86/1019953986.db2.gz PYTCYVJLAOYYQA-UHFFFAOYSA-N -1 3 321.829 3.958 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000117625066 1019987186 /nfs/dbraw/zinc/98/71/86/1019987186.db2.gz PNTOSVGUQGCWAP-UHFFFAOYSA-N -1 3 319.361 3.973 20 0 DHADHM O=c1nc(Cl)cc(N2CC3(CCC3)c3c2cccc3F)[n-]1 ZINC000858384445 1032873002 /nfs/dbraw/zinc/87/30/02/1032873002.db2.gz PFNQFVPAMWALAK-UHFFFAOYSA-N -1 3 305.740 3.548 20 0 DHADHM c1ccc2cc(CCNc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC001168734052 1020240616 /nfs/dbraw/zinc/24/06/16/1020240616.db2.gz VWMYOUGFOLXIIE-UHFFFAOYSA-N -1 3 315.380 3.675 20 0 DHADHM c1ccc2cc(CCNc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC001168734052 1020240646 /nfs/dbraw/zinc/24/06/46/1020240646.db2.gz VWMYOUGFOLXIIE-UHFFFAOYSA-N -1 3 315.380 3.675 20 0 DHADHM COc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000055584024 1020324841 /nfs/dbraw/zinc/32/48/41/1020324841.db2.gz ABNAIIOWOSDNPN-MDZDMXLPSA-N -1 3 321.373 3.555 20 0 DHADHM CC(C)(C)c1coc([N-]C(=O)c2scnc2C(F)F)n1 ZINC000875811511 1032893161 /nfs/dbraw/zinc/89/31/61/1032893161.db2.gz HZNZRBGBVVFEOW-UHFFFAOYSA-N -1 3 301.318 3.619 20 0 DHADHM Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(C)cc3[O-])c2C)o1 ZINC000192488415 1020371668 /nfs/dbraw/zinc/37/16/68/1020371668.db2.gz PCELDOBYBJOVNB-UHFFFAOYSA-N -1 3 311.341 3.553 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2c(F)cccc2C1 ZINC000355251425 1020471289 /nfs/dbraw/zinc/47/12/89/1020471289.db2.gz DBLHNKYACWGVRF-UHFFFAOYSA-N -1 3 321.351 3.883 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000734114011 1020562158 /nfs/dbraw/zinc/56/21/58/1020562158.db2.gz XXLWRVJCCSMWQQ-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]c2cc(Cl)ccc21 ZINC000674015798 1020638718 /nfs/dbraw/zinc/63/87/18/1020638718.db2.gz VNAPPCPVXBXNIU-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(C(F)(F)F)CCCCC1 ZINC000612632575 1020652227 /nfs/dbraw/zinc/65/22/27/1020652227.db2.gz PTXXTYYJSRVUGK-UHFFFAOYSA-N -1 3 319.298 3.660 20 0 DHADHM COC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC(F)(F)CC1 ZINC000612754797 1020697033 /nfs/dbraw/zinc/69/70/33/1020697033.db2.gz QURBONBLBGWTMW-UHFFFAOYSA-N -1 3 319.735 3.579 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613026387 1020777950 /nfs/dbraw/zinc/77/79/50/1020777950.db2.gz FGWCHMZBHXTCKZ-JMJZKYOTSA-N -1 3 310.191 3.529 20 0 DHADHM O=c1cc(Nc2ccc(C(F)(F)F)cc2O)nc(C2CC2)[n-]1 ZINC001212630975 1032948469 /nfs/dbraw/zinc/94/84/69/1032948469.db2.gz XKGHJJAQIWGTHR-UHFFFAOYSA-N -1 3 311.263 3.528 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCC2(C1)CCCCCC2 ZINC000175341065 1021036898 /nfs/dbraw/zinc/03/68/98/1021036898.db2.gz NHXYESRPPXPFBS-UHFFFAOYSA-N -1 3 303.402 3.674 20 0 DHADHM CCc1ccc(NC(=S)NCc2ccc([O-])c(F)c2)cc1 ZINC000737461040 1021099096 /nfs/dbraw/zinc/09/90/96/1021099096.db2.gz IAKIKWQFFFYYQM-UHFFFAOYSA-N -1 3 304.390 3.580 20 0 DHADHM Cc1cccc(C)c1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461968 1021103007 /nfs/dbraw/zinc/10/30/07/1021103007.db2.gz WPNRVVRANKNFJF-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM Cc1ccc(SCCC(=O)[N-]OCCC(F)(F)F)cc1C ZINC000162965781 1021148192 /nfs/dbraw/zinc/14/81/92/1021148192.db2.gz HNUIYMFXSVFQJV-UHFFFAOYSA-N -1 3 321.364 3.786 20 0 DHADHM Cc1cc(OCC(=O)Nc2cccc([O-])c2F)cc(C)c1Cl ZINC000128919605 1021379585 /nfs/dbraw/zinc/37/95/85/1021379585.db2.gz AJUVAFUMUDGGBR-UHFFFAOYSA-N -1 3 323.751 3.819 20 0 DHADHM [O-]C(=Cc1nc(-c2cccc(F)c2)no1)c1ccccc1Cl ZINC001211645058 1021416441 /nfs/dbraw/zinc/41/64/41/1021416441.db2.gz LXUIQGBJQICEQP-UHFFFAOYSA-N -1 3 316.719 3.955 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Oc2cccnc2)cc1 ZINC000129530341 1021505473 /nfs/dbraw/zinc/50/54/73/1021505473.db2.gz KGVZWFFINOJIPQ-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM COc1ccc(S[C@@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129712796 1021557656 /nfs/dbraw/zinc/55/76/56/1021557656.db2.gz IDNYNYKKVPBQOY-JTQLQIEISA-N -1 3 321.373 3.659 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1[O-] ZINC000627276487 1021574589 /nfs/dbraw/zinc/57/45/89/1021574589.db2.gz GPLPLGKHGVRGDB-UHFFFAOYSA-N -1 3 324.380 3.930 20 0 DHADHM Cc1ccccc1C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000919047621 1021705216 /nfs/dbraw/zinc/70/52/16/1021705216.db2.gz YLDPUBSHZKJHKJ-UHFFFAOYSA-N -1 3 312.152 3.670 20 0 DHADHM CCN(Cc1sc(=O)[n-]c1Cl)Cc1cccc(F)c1 ZINC001237164047 1021766060 /nfs/dbraw/zinc/76/60/60/1021766060.db2.gz GNDONDWCBZVTMC-UHFFFAOYSA-N -1 3 300.786 3.663 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3ncco3)cc2C)c1[O-] ZINC000557042723 1022033305 /nfs/dbraw/zinc/03/33/05/1022033305.db2.gz PCDIGPJYOQYYNP-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])[nH]c(C)c1C(C)=O ZINC000153451197 1022063801 /nfs/dbraw/zinc/06/38/01/1022063801.db2.gz QNVCZPVJIFIOGM-UHFFFAOYSA-N -1 3 320.776 3.699 20 0 DHADHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000008287941 1022105217 /nfs/dbraw/zinc/10/52/17/1022105217.db2.gz NCFAYZRNUOCPGU-LBPRGKRZSA-N -1 3 324.336 3.669 20 0 DHADHM Cc1c([O-])ccc2c(CN3CC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000746456682 1022109556 /nfs/dbraw/zinc/10/95/56/1022109556.db2.gz CPLUSIVIPKQGCJ-KRWDZBQOSA-N -1 3 321.376 3.754 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000920843779 1022182737 /nfs/dbraw/zinc/18/27/37/1022182737.db2.gz ITXYHNRQNRFAJK-QMTHXVAHSA-N -1 3 323.314 3.950 20 0 DHADHM O=C([N-][C@H]1CCc2c1cccc2F)C(F)(F)c1ccc(F)cc1 ZINC000920846075 1022184460 /nfs/dbraw/zinc/18/44/60/1022184460.db2.gz YHXJRMGRVMRQCL-HNNXBMFYSA-N -1 3 323.289 3.860 20 0 DHADHM O=C([N-][C@@H](CC1CCC1)c1ccccc1)C(F)(F)C(F)F ZINC001127557115 1022281530 /nfs/dbraw/zinc/28/15/30/1022281530.db2.gz SYXYAGJTADZYJN-LBPRGKRZSA-N -1 3 303.299 3.935 20 0 DHADHM COc1ccc([C@@H](C)CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000853769849 1022338530 /nfs/dbraw/zinc/33/85/30/1022338530.db2.gz JESUCANRHONMMO-NSHDSACASA-N -1 3 304.415 3.536 20 0 DHADHM COC(=O)c1ccc(Cl)nc1Nc1ccc(Cl)c([O-])c1 ZINC001212588512 1022348161 /nfs/dbraw/zinc/34/81/61/1022348161.db2.gz RQQQDMMTYNCHKQ-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM Cc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)ccc1F ZINC000103164934 1022356848 /nfs/dbraw/zinc/35/68/48/1022356848.db2.gz PGDOUZTZJJIQAH-UHFFFAOYSA-N -1 3 313.328 3.867 20 0 DHADHM CCOC(=O)c1nc(C2CC2)oc1Nc1ccc(Cl)c([O-])c1 ZINC001212590706 1022433410 /nfs/dbraw/zinc/43/34/10/1022433410.db2.gz ZFZMUYGABXCJLX-UHFFFAOYSA-N -1 3 322.748 3.831 20 0 DHADHM [O-]c1cc(Nc2ccc3nnc(C4CC4)n3c2)ccc1Cl ZINC001212591206 1022450381 /nfs/dbraw/zinc/45/03/81/1022450381.db2.gz ABPLXCKVRVAYPT-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ncsc2C2CC2)no1 ZINC000893273735 1022466102 /nfs/dbraw/zinc/46/61/02/1022466102.db2.gz GECHVSZOHIPQIK-UHFFFAOYSA-N -1 3 309.416 3.514 20 0 DHADHM COC(Cc1ccccc1Nc1ccc(Cl)c([O-])c1)OC ZINC001212592628 1022490252 /nfs/dbraw/zinc/49/02/52/1022490252.db2.gz ZODJDBLBNMSPIH-UHFFFAOYSA-N -1 3 307.777 3.951 20 0 DHADHM O=C(NC1CC1)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212592457 1022491138 /nfs/dbraw/zinc/49/11/38/1022491138.db2.gz QUSWQMXFKTXLFK-UHFFFAOYSA-N -1 3 302.761 3.681 20 0 DHADHM CCCc1nc(CO[N-]C(=O)CCCc2ccccc2)cs1 ZINC000112335225 1022494569 /nfs/dbraw/zinc/49/45/69/1022494569.db2.gz KNKVNSUVRMWXFJ-UHFFFAOYSA-N -1 3 318.442 3.666 20 0 DHADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)ccc1OC ZINC001212593591 1022499930 /nfs/dbraw/zinc/49/99/30/1022499930.db2.gz ZBFRHLGEWQSYGT-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cccnc1CNc1nc(Cl)c(F)cc1C(F)F ZINC001169727347 1022510074 /nfs/dbraw/zinc/51/00/74/1022510074.db2.gz XKUXKWJSRAPIAC-UHFFFAOYSA-N -1 3 303.671 3.524 20 0 DHADHM CN(Cc1cccc(Cl)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000179694447 1022511847 /nfs/dbraw/zinc/51/18/47/1022511847.db2.gz UFDXMOSMDCOCKL-UHFFFAOYSA-N -1 3 306.749 3.586 20 0 DHADHM COc1cc(NCc2ncccc2[O-])c(OC)c2ccccc12 ZINC001169732670 1022526483 /nfs/dbraw/zinc/52/64/83/1022526483.db2.gz PABPZYSRUHQUDD-UHFFFAOYSA-N -1 3 310.353 3.570 20 0 DHADHM COC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1OC ZINC001212594911 1022549678 /nfs/dbraw/zinc/54/96/78/1022549678.db2.gz CSPBWMOTVLWHQA-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM CN(Cc1cc(F)ccc1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179892780 1022565747 /nfs/dbraw/zinc/56/57/47/1022565747.db2.gz GFYFVPWEMLTJMD-UHFFFAOYSA-N -1 3 324.739 3.725 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2ccc(Cl)nc2Cl)n1 ZINC000876481783 1033067086 /nfs/dbraw/zinc/06/70/86/1033067086.db2.gz CRLZHJWJOCCNHM-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c1[O-] ZINC000621171115 1022613874 /nfs/dbraw/zinc/61/38/74/1022613874.db2.gz JJMBFGXCUINQMM-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000621224561 1022651339 /nfs/dbraw/zinc/65/13/39/1022651339.db2.gz NALTUWZCQYLADY-UHFFFAOYSA-N -1 3 321.364 3.823 20 0 DHADHM Cc1ccc([O-])c(CN2CCn3cccc3[C@H]2c2ccccc2)n1 ZINC000158668319 1022656486 /nfs/dbraw/zinc/65/64/86/1022656486.db2.gz VIDFCTHBEXCORE-HXUWFJFHSA-N -1 3 319.408 3.502 20 0 DHADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000159183308 1022699451 /nfs/dbraw/zinc/69/94/51/1022699451.db2.gz IUNVJTRDCFRCTL-HNNXBMFYSA-N -1 3 320.751 3.771 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000584806575 1022762468 /nfs/dbraw/zinc/76/24/68/1022762468.db2.gz NJCJZDLPCUETQG-HNNXBMFYSA-N -1 3 309.369 3.656 20 0 DHADHM Cc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1F ZINC000417558871 1022782207 /nfs/dbraw/zinc/78/22/07/1022782207.db2.gz GUXFSWJBKDFJIG-CXAGYDPISA-N -1 3 301.361 3.686 20 0 DHADHM C[C@@H]1CC(/N=C/c2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000162455820 1022824811 /nfs/dbraw/zinc/82/48/11/1022824811.db2.gz YMBLUJZBLALEPY-BOPKQFDMSA-N -1 3 312.207 3.530 20 0 DHADHM COc1cccc2c1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000180782408 1022825193 /nfs/dbraw/zinc/82/51/93/1022825193.db2.gz HDCNSGPPMQMZSB-UHFFFAOYSA-N -1 3 303.789 3.613 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000617096294 1022843077 /nfs/dbraw/zinc/84/30/77/1022843077.db2.gz PCWIYJQGINOVCS-UHFFFAOYSA-N -1 3 311.357 3.657 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCCc2c(F)cccc2Cl)cc1 ZINC000767932797 1022848046 /nfs/dbraw/zinc/84/80/46/1022848046.db2.gz BXEKAIOFSDTMMQ-UHFFFAOYSA-N -1 3 321.779 3.621 20 0 DHADHM O=C(N[C@@H]1CCCC12CCCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000617105431 1022867940 /nfs/dbraw/zinc/86/79/40/1022867940.db2.gz JVVFAQUFCFHLKV-GOSISDBHSA-N -1 3 324.424 3.761 20 0 DHADHM Cc1sc(NC(=O)Cc2ccc([O-])c(F)c2)nc1C(C)C ZINC000617249352 1022901314 /nfs/dbraw/zinc/90/13/14/1022901314.db2.gz IMTTYFRZCSHBLX-UHFFFAOYSA-N -1 3 308.378 3.601 20 0 DHADHM CSc1c(F)cccc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000617274676 1022904911 /nfs/dbraw/zinc/90/49/11/1022904911.db2.gz FPFSBLRWRRXUTJ-UHFFFAOYSA-N -1 3 306.362 3.974 20 0 DHADHM CC(C)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621908014 1022929290 /nfs/dbraw/zinc/92/92/90/1022929290.db2.gz JCLHLLAEXCOQNH-SNVBAGLBSA-N -1 3 301.308 3.529 20 0 DHADHM CCC/C(C)=C\C(=O)NCc1ccc([O-])c(Br)c1 ZINC000768294192 1022942756 /nfs/dbraw/zinc/94/27/56/1022942756.db2.gz CMWOPAJOAIPGFI-YFHOEESVSA-N -1 3 312.207 3.517 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccsc2)c([O-])c1 ZINC000617407753 1022946219 /nfs/dbraw/zinc/94/62/19/1022946219.db2.gz JGQOKDKPLXNYGU-GFCCVEGCSA-N -1 3 303.427 3.938 20 0 DHADHM CCc1noc(C)c1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621931802 1022949551 /nfs/dbraw/zinc/94/95/51/1022949551.db2.gz JBBSSELSVODQKT-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM O=C(Nc1cc(C2CC2)ccn1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857263293 1022979454 /nfs/dbraw/zinc/97/94/54/1022979454.db2.gz PUHAWKPZYGPBDH-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000622065698 1023021874 /nfs/dbraw/zinc/02/18/74/1023021874.db2.gz JJIDBMSVVYBOIJ-UHFFFAOYSA-N -1 3 307.393 3.782 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@H](C2CCC2)C1 ZINC000622109389 1023031875 /nfs/dbraw/zinc/03/18/75/1023031875.db2.gz OUZMRNGVNKWHML-NSHDSACASA-N -1 3 313.319 3.673 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)cc1[O-] ZINC000412350356 1023100396 /nfs/dbraw/zinc/10/03/96/1023100396.db2.gz XNRIGCHIUKEVIO-UGSOOPFHSA-N -1 3 323.392 3.818 20 0 DHADHM Cc1cccc(CN(C)C(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000622299436 1023106449 /nfs/dbraw/zinc/10/64/49/1023106449.db2.gz ZJMFAZKYTBWBSQ-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM CC[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000769516207 1023171177 /nfs/dbraw/zinc/17/11/77/1023171177.db2.gz MXFFEBVFUMEEAO-GFCCVEGCSA-N -1 3 305.365 3.940 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H](F)c1ccccc1 ZINC000769555800 1023179410 /nfs/dbraw/zinc/17/94/10/1023179410.db2.gz JGJTZXFVIUKTJB-CYBMUJFWSA-N -1 3 324.149 3.804 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1ccco1 ZINC000110382361 1023254698 /nfs/dbraw/zinc/25/46/98/1023254698.db2.gz PQMYTDMWWDDYLS-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM Cc1nc(C(=O)[N-]c2nnc(C3CCCCC3)s2)sc1C ZINC000770144695 1023281562 /nfs/dbraw/zinc/28/15/62/1023281562.db2.gz HFIXFBGAQLAREY-UHFFFAOYSA-N -1 3 322.459 3.911 20 0 DHADHM O=C(CC1(CSc2ccccc2)CC1)[N-]OC1CCCC1 ZINC000770253218 1023292485 /nfs/dbraw/zinc/29/24/85/1023292485.db2.gz JIZPLZINVILVOU-UHFFFAOYSA-N -1 3 305.443 3.939 20 0 DHADHM COC(=O)c1ccc(F)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563377 1023346268 /nfs/dbraw/zinc/34/62/68/1023346268.db2.gz CUYALVDJVGRYKO-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1F ZINC000771522536 1023448594 /nfs/dbraw/zinc/44/85/94/1023448594.db2.gz GCYUORGEAIRNGC-UHFFFAOYSA-N -1 3 315.344 3.671 20 0 DHADHM Cc1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])c(C)n1 ZINC000772163731 1023525506 /nfs/dbraw/zinc/52/55/06/1023525506.db2.gz DDNIWEZQYWXQKO-UHFFFAOYSA-N -1 3 309.724 3.554 20 0 DHADHM COc1cc(COC(=O)c2cc3occc3[n-]2)ccc1SC ZINC000786034336 1023654063 /nfs/dbraw/zinc/65/40/63/1023654063.db2.gz RVAJMZBPWCUPOH-UHFFFAOYSA-N -1 3 317.366 3.848 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1ccc2ccccc2c1 ZINC000786032627 1023654160 /nfs/dbraw/zinc/65/41/60/1023654160.db2.gz KUXABWZEVFYTHP-UHFFFAOYSA-N -1 3 319.316 3.954 20 0 DHADHM COC1(COC(=O)c2cc3sccc3c([O-])c2)CCCC1 ZINC000786141090 1023662957 /nfs/dbraw/zinc/66/29/57/1023662957.db2.gz IMXOMGKNBPGHNC-UHFFFAOYSA-N -1 3 306.383 3.723 20 0 DHADHM CCc1cnc(COC(=O)c2cc3sccc3c([O-])c2)o1 ZINC000786140573 1023663305 /nfs/dbraw/zinc/66/33/05/1023663305.db2.gz DIZMJVOFJTWNNH-UHFFFAOYSA-N -1 3 303.339 3.514 20 0 DHADHM Cc1noc(C)c1CCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786142220 1023663384 /nfs/dbraw/zinc/66/33/84/1023663384.db2.gz UWDARSOWYGIJOJ-UHFFFAOYSA-N -1 3 317.366 3.611 20 0 DHADHM C[C@H]1C[C@@H](COC(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC000786138423 1023666622 /nfs/dbraw/zinc/66/66/22/1023666622.db2.gz SLPJHTZALHALNO-QWRGUYRKSA-N -1 3 306.383 3.579 20 0 DHADHM O=C(OCc1ccc(Cl)nc1)c1cc(Cl)c(Cl)[n-]1 ZINC000125503252 1023669246 /nfs/dbraw/zinc/66/92/46/1023669246.db2.gz VCWYTSXBGVNNBY-UHFFFAOYSA-N -1 3 305.548 3.727 20 0 DHADHM CCCN(Cc1ccccc1F)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000661859714 1023780534 /nfs/dbraw/zinc/78/05/34/1023780534.db2.gz DJBQQFQVABUEAV-ZDUSSCGKSA-N -1 3 303.381 3.603 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000048653280 1023802883 /nfs/dbraw/zinc/80/28/83/1023802883.db2.gz WBSHMQADTCLHFQ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CC(C)c1cnc(COC(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC000787848521 1023826738 /nfs/dbraw/zinc/82/67/38/1023826738.db2.gz PGVPAVNFTAYYHZ-UHFFFAOYSA-N -1 3 321.348 3.709 20 0 DHADHM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1 ZINC000652376512 1023827900 /nfs/dbraw/zinc/82/79/00/1023827900.db2.gz QRHJBMCOECJMPB-MRXNPFEDSA-N -1 3 315.369 3.632 20 0 DHADHM CCC[C@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652396797 1023841495 /nfs/dbraw/zinc/84/14/95/1023841495.db2.gz WMXWRGZWBOPJJP-JTQLQIEISA-N -1 3 314.223 3.768 20 0 DHADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000049525194 1023856136 /nfs/dbraw/zinc/85/61/36/1023856136.db2.gz KKUUJNSRHMYBDP-JOYOIKCWSA-N -1 3 322.257 3.850 20 0 DHADHM C[C@H](c1ccncc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788294081 1023871243 /nfs/dbraw/zinc/87/12/43/1023871243.db2.gz SKOBYBPWSHLVLO-LLVKDONJSA-N -1 3 312.394 3.835 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc([C@@H]3C[C@H]3C)o2)nc(C)n1 ZINC000253480997 1023937857 /nfs/dbraw/zinc/93/78/57/1023937857.db2.gz MIPCPJKNGDJDCA-PTCOGLAWSA-N -1 3 321.380 3.700 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC000538761058 1033175644 /nfs/dbraw/zinc/17/56/44/1033175644.db2.gz GCJLUUUSDUYXRB-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM CCc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1[O-] ZINC000538782855 1033186098 /nfs/dbraw/zinc/18/60/98/1033186098.db2.gz JKDJYPPBFVBTTB-UHFFFAOYSA-N -1 3 314.360 3.920 20 0 DHADHM O=C([N-]c1csc(-c2ccccn2)n1)c1nc(Cl)cs1 ZINC000790015385 1024208304 /nfs/dbraw/zinc/20/83/04/1024208304.db2.gz JLQGLALRSIVHNC-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)cc1 ZINC000531781157 1024332554 /nfs/dbraw/zinc/33/25/54/1024332554.db2.gz CVNQXKSOYHGQFO-UHFFFAOYSA-N -1 3 323.389 3.588 20 0 DHADHM COc1ccccc1OC(=O)c1cc2sccc2c([O-])c1 ZINC000791302776 1024467891 /nfs/dbraw/zinc/46/78/91/1024467891.db2.gz ZLBTVZUHMDOTIC-UHFFFAOYSA-N -1 3 300.335 3.835 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCC2 ZINC000271431014 1024503272 /nfs/dbraw/zinc/50/32/72/1024503272.db2.gz WKNFUTXFEZVNRL-ZDUSSCGKSA-N -1 3 310.397 3.593 20 0 DHADHM CC(C)[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(F)cc1F ZINC000432339884 1024517719 /nfs/dbraw/zinc/51/77/19/1024517719.db2.gz KPIBUJWVSYISMV-SNVBAGLBSA-N -1 3 303.259 4.095 20 0 DHADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000585711699 1024569733 /nfs/dbraw/zinc/56/97/33/1024569733.db2.gz GJMNAVWAQAUSQA-OAHLLOKOSA-N -1 3 312.413 3.617 20 0 DHADHM O=C(c1ccccc1[O-])N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000283060653 1024584034 /nfs/dbraw/zinc/58/40/34/1024584034.db2.gz CKJWCYIIRUCORZ-BJWYYQGGSA-N -1 3 307.393 3.943 20 0 DHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)cc1F ZINC000883955251 1024596685 /nfs/dbraw/zinc/59/66/85/1024596685.db2.gz WCUYGDFEWUZHEA-UHFFFAOYSA-N -1 3 323.755 3.659 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283209866 1024609435 /nfs/dbraw/zinc/60/94/35/1024609435.db2.gz NJRNCUSJVQSGIN-ZDUSSCGKSA-N -1 3 313.319 3.587 20 0 DHADHM C[C@H](COc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792068205 1024621489 /nfs/dbraw/zinc/62/14/89/1024621489.db2.gz LZULDJHTYCDGAL-CQSZACIVSA-N -1 3 321.376 3.743 20 0 DHADHM CC(C)Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n(C)n1 ZINC000792110678 1024625276 /nfs/dbraw/zinc/62/52/76/1024625276.db2.gz LMELGRIUDJFZTP-UHFFFAOYSA-N -1 3 323.396 3.730 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000348942616 1024654383 /nfs/dbraw/zinc/65/43/83/1024654383.db2.gz UFGALUAIVYGTSA-UHFFFAOYSA-N -1 3 318.398 3.543 20 0 DHADHM CCOc1cc(O)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792481014 1024673023 /nfs/dbraw/zinc/67/30/23/1024673023.db2.gz AWRSXSTYSKKOBE-UHFFFAOYSA-N -1 3 323.348 3.902 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c([O-])c1 ZINC000324081476 1024702881 /nfs/dbraw/zinc/70/28/81/1024702881.db2.gz FQNGCEXYKAFZJQ-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000348286694 1024710130 /nfs/dbraw/zinc/71/01/30/1024710130.db2.gz BKOICKXAFPWPIT-INIZCTEOSA-N -1 3 320.392 3.799 20 0 DHADHM Cc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000102635673 1024772573 /nfs/dbraw/zinc/77/25/73/1024772573.db2.gz QNRLBSXKZWBJKZ-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM Cc1ccccc1-c1ccccc1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810322 1033235400 /nfs/dbraw/zinc/23/54/00/1033235400.db2.gz LHMNPOQAYITZFB-IBGZPJMESA-N -1 3 313.372 3.661 20 0 DHADHM C[C@H](Oc1ncc(Br)cc1[O-])c1ccc(F)cc1 ZINC001228952468 1024819505 /nfs/dbraw/zinc/81/95/05/1024819505.db2.gz CBXVNKXEAHIOQX-QMMMGPOBSA-N -1 3 312.138 3.829 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000606628504 1024856719 /nfs/dbraw/zinc/85/67/19/1024856719.db2.gz KJQKXYDFSNXJON-RRFJBIMHSA-N -1 3 320.408 3.689 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2)o1 ZINC000263339236 1024928044 /nfs/dbraw/zinc/92/80/44/1024928044.db2.gz NDDCZFXHAWVLDH-KGLIPLIRSA-N -1 3 315.369 3.757 20 0 DHADHM CSc1cc(C)ccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001299451445 1024939678 /nfs/dbraw/zinc/93/96/78/1024939678.db2.gz BXEUAKRPDBZLJQ-UHFFFAOYSA-N -1 3 315.394 3.877 20 0 DHADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OC1CCCC1 ZINC000135130911 1025186140 /nfs/dbraw/zinc/18/61/40/1025186140.db2.gz JSTYJCFVMDVSJZ-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM COc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000436702475 1025192204 /nfs/dbraw/zinc/19/22/04/1025192204.db2.gz FFKLKUWVPABXEC-CXAGYDPISA-N -1 3 311.381 3.624 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)nc2)n1 ZINC000884649961 1025207274 /nfs/dbraw/zinc/20/72/74/1025207274.db2.gz UWPHTJYEUXYHTP-YUDUHTQSSA-N -1 3 324.428 3.511 20 0 DHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)[N-]OC/C=C\Cl ZINC000794290408 1025249409 /nfs/dbraw/zinc/24/94/09/1025249409.db2.gz LIUZLYAMTNJLDT-KTAJNNJTSA-N -1 3 324.591 3.563 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000229296502 1025255800 /nfs/dbraw/zinc/25/58/00/1025255800.db2.gz KOSWQCQJDYRMTB-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM COc1ccc([O-])c(-c2nc(CC3CCC(F)(F)CC3)no2)c1 ZINC000924256920 1025384007 /nfs/dbraw/zinc/38/40/07/1025384007.db2.gz BKFRYXFTYJZJOP-UHFFFAOYSA-N -1 3 324.327 3.819 20 0 DHADHM Cc1cc2cc(CNC(=O)c3cc([O-])ccc3Cl)ccc2[nH]1 ZINC000354455027 1025435080 /nfs/dbraw/zinc/43/50/80/1025435080.db2.gz IDKGUWNSUJMRMZ-UHFFFAOYSA-N -1 3 314.772 3.765 20 0 DHADHM O=C([N-][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(F)(F)C(F)F ZINC001129852171 1025437935 /nfs/dbraw/zinc/43/79/35/1025437935.db2.gz DWPLOVQAUHPVMB-ONGXEEELSA-N -1 3 323.717 3.993 20 0 DHADHM COc1cc(C)c(OC(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC001129979687 1025499814 /nfs/dbraw/zinc/49/98/14/1025499814.db2.gz KHBQGIJICPAMLO-UHFFFAOYSA-N -1 3 306.745 3.890 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1nccn1-c1ccccc1 ZINC000805541325 1025614159 /nfs/dbraw/zinc/61/41/59/1025614159.db2.gz CLPVIYWKIGWLQT-GFCCVEGCSA-N -1 3 321.336 3.865 20 0 DHADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1cc([O-])cc(F)c1 ZINC000925931503 1025658010 /nfs/dbraw/zinc/65/80/10/1025658010.db2.gz BZKJNIHYGAPDIZ-LBPRGKRZSA-N -1 3 301.365 3.700 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1cc(-c2ccccc2)ns1 ZINC001131210045 1026236650 /nfs/dbraw/zinc/23/66/50/1026236650.db2.gz BGGXFDJKWSJYMC-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM [O-]c1coc2cc(OCc3csc(C4CCCC4)n3)ccc12 ZINC000664136576 1026244535 /nfs/dbraw/zinc/24/45/35/1026244535.db2.gz YPUMQYSRZSPZTE-UHFFFAOYSA-N -1 3 315.394 3.955 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000513344589 1026483628 /nfs/dbraw/zinc/48/36/28/1026483628.db2.gz AIQRASNPVAQAQA-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000280293350 1026628696 /nfs/dbraw/zinc/62/86/96/1026628696.db2.gz FHXSXBMTRZPPDS-LLVKDONJSA-N -1 3 305.447 3.655 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CCSC)c1 ZINC001170593105 1026655871 /nfs/dbraw/zinc/65/58/71/1026655871.db2.gz YIPQEXCWPBKQLL-UHFFFAOYSA-N -1 3 317.410 3.559 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@H](C)CC)nc2)n1 ZINC000664230706 1026704082 /nfs/dbraw/zinc/70/40/82/1026704082.db2.gz QJYUEMXIYLBEMS-GFCCVEGCSA-N -1 3 300.406 3.655 20 0 DHADHM C[C@H](C[C@@H]1CCOC1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810750747 1026843699 /nfs/dbraw/zinc/84/36/99/1026843699.db2.gz PNOBWIIQQVJFHZ-BDAKNGLRSA-N -1 3 313.806 3.855 20 0 DHADHM Cc1noc(C)c1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394533 1026992393 /nfs/dbraw/zinc/99/23/93/1026992393.db2.gz UJSHSHWKPDBKSK-UHFFFAOYSA-N -1 3 310.762 3.845 20 0 DHADHM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000421722716 1027044886 /nfs/dbraw/zinc/04/48/86/1027044886.db2.gz PWBITKMMHREKEC-INIZCTEOSA-N -1 3 311.381 3.506 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421888928 1027080056 /nfs/dbraw/zinc/08/00/56/1027080056.db2.gz JXMROQCRTMNOQJ-XPTSAGLGSA-N -1 3 310.191 3.592 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCC2 ZINC000271431011 1027102001 /nfs/dbraw/zinc/10/20/01/1027102001.db2.gz WKNFUTXFEZVNRL-CYBMUJFWSA-N -1 3 310.397 3.593 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000362252603 1027113315 /nfs/dbraw/zinc/11/33/15/1027113315.db2.gz QMEVOTAOYPBHCI-PWSUYJOCSA-N -1 3 310.357 3.593 20 0 DHADHM Cc1ccsc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362253735 1027114430 /nfs/dbraw/zinc/11/44/30/1027114430.db2.gz UAJKUGHKYCOLMX-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccsc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362253735 1027114447 /nfs/dbraw/zinc/11/44/47/1027114447.db2.gz UAJKUGHKYCOLMX-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cc([O-])cc(F)c1 ZINC000362318459 1027147044 /nfs/dbraw/zinc/14/70/44/1027147044.db2.gz DDMJPWDWMXXLIH-UHFFFAOYSA-N -1 3 311.360 3.553 20 0 DHADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1ccc(Cl)cc1[O-] ZINC000156913821 1027195195 /nfs/dbraw/zinc/19/51/95/1027195195.db2.gz CGSNZWHCRXMJTK-DAFODLJHSA-N -1 3 309.152 3.746 20 0 DHADHM Cc1nc(-c2cccc(NCc3c([O-])cccc3Cl)c2)n[nH]1 ZINC000157170328 1027244887 /nfs/dbraw/zinc/24/48/87/1027244887.db2.gz DQRUPPMUIRUERN-UHFFFAOYSA-N -1 3 314.776 3.751 20 0 DHADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC/C=C\Cl)c1 ZINC000812404978 1027263905 /nfs/dbraw/zinc/26/39/05/1027263905.db2.gz NKFJSFZSEFKMNF-UITAMQMPSA-N -1 3 311.809 3.653 20 0 DHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)[N-]OC/C=C\Cl)C1 ZINC000812407991 1027284590 /nfs/dbraw/zinc/28/45/90/1027284590.db2.gz LNVHDEAROHVYEN-FVGUCBIESA-N -1 3 317.857 3.942 20 0 DHADHM CCCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000362599531 1027304523 /nfs/dbraw/zinc/30/45/23/1027304523.db2.gz MLXWIPLWGRZCKB-OAHLLOKOSA-N -1 3 312.413 3.617 20 0 DHADHM CCc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000574162726 1027367530 /nfs/dbraw/zinc/36/75/30/1027367530.db2.gz PPIBIGYZROURFH-SFHVURJKSA-N -1 3 313.397 3.563 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccnc2)CCCC1 ZINC000362953396 1027465237 /nfs/dbraw/zinc/46/52/37/1027465237.db2.gz AKNAAKUNWOZSJW-UHFFFAOYSA-N -1 3 316.788 3.891 20 0 DHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000296074557 1027534026 /nfs/dbraw/zinc/53/40/26/1027534026.db2.gz VNZHBWGQTHCJJR-UHFFFAOYSA-N -1 3 322.817 3.722 20 0 DHADHM CC(C)CCOc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000158471013 1027541904 /nfs/dbraw/zinc/54/19/04/1027541904.db2.gz FVKYSTAVURNBGQ-MRXNPFEDSA-N -1 3 322.405 3.691 20 0 DHADHM CC(C)CCOc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000158471013 1027541913 /nfs/dbraw/zinc/54/19/13/1027541913.db2.gz FVKYSTAVURNBGQ-MRXNPFEDSA-N -1 3 322.405 3.691 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC=CCC1 ZINC000296217700 1027575333 /nfs/dbraw/zinc/57/53/33/1027575333.db2.gz WEDXDIGNHBXUJH-SNVBAGLBSA-N -1 3 310.191 3.758 20 0 DHADHM C[C@@H](NCc1csc(-c2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000576830595 1027667607 /nfs/dbraw/zinc/66/76/07/1027667607.db2.gz VUZRNLVHOCOAHY-NXEZZACHSA-N -1 3 324.833 3.662 20 0 DHADHM [O-]c1ccc(Cl)cc1-c1ccc2ncnn2c1C(F)(F)F ZINC001245056605 1027684792 /nfs/dbraw/zinc/68/47/92/1027684792.db2.gz HWEIHBYQUKTWTB-UHFFFAOYSA-N -1 3 313.666 3.774 20 0 DHADHM O=C(OC/C=C/Br)c1cc2cc(Cl)sc2[n-]1 ZINC000813930235 1027767996 /nfs/dbraw/zinc/76/79/96/1027767996.db2.gz FYUJWTZQEYRBHR-OWOJBTEDSA-N -1 3 320.595 3.948 20 0 DHADHM Cc1ccc([C@H](C)Nc2cc(F)cc(-c3nnn[n-]3)c2)c(C)c1 ZINC001170724810 1027864222 /nfs/dbraw/zinc/86/42/22/1027864222.db2.gz APCPQBLPZKUOKY-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@H](C)Nc2cc(F)cc(-c3nn[n-]n3)c2)c(C)c1 ZINC001170724810 1027864239 /nfs/dbraw/zinc/86/42/39/1027864239.db2.gz APCPQBLPZKUOKY-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM COc1cccc(CCC(=O)Nc2c([O-])cccc2Cl)c1F ZINC000578581246 1028185919 /nfs/dbraw/zinc/18/59/19/1028185919.db2.gz LKWRNYRBEKFERZ-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000578634835 1028201541 /nfs/dbraw/zinc/20/15/41/1028201541.db2.gz LASJCUSYOCSXEW-GHMZBOCLSA-N -1 3 321.323 3.807 20 0 DHADHM COCc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000815184870 1028406893 /nfs/dbraw/zinc/40/68/93/1028406893.db2.gz LKXBIAFMKTWGKV-UHFFFAOYSA-N -1 3 314.168 3.825 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@]12CCc1ccccc12 ZINC000579612209 1028448966 /nfs/dbraw/zinc/44/89/66/1028448966.db2.gz BHXOIXBXVJTWDE-FZKQIMNGSA-N -1 3 313.784 3.888 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564546265 1028473349 /nfs/dbraw/zinc/47/33/49/1028473349.db2.gz UUYSQYKMQWHWEP-BUXKBTBVSA-N -1 3 319.360 3.797 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000564550682 1028473914 /nfs/dbraw/zinc/47/39/14/1028473914.db2.gz ZGRKNXFTJBGGLL-UHFFFAOYSA-N -1 3 313.463 3.868 20 0 DHADHM C[C@](O)(CC/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000189355875 1028573842 /nfs/dbraw/zinc/57/38/42/1028573842.db2.gz XPAQQZZDJCJQEC-DAQNXSASSA-N -1 3 303.789 3.762 20 0 DHADHM Cc1ncc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC001170808407 1028688561 /nfs/dbraw/zinc/68/85/61/1028688561.db2.gz OHSFRLMMLJYQOH-JTQLQIEISA-N -1 3 312.394 3.801 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1snc(Cl)c1Cl ZINC001135412279 1028747369 /nfs/dbraw/zinc/74/73/69/1028747369.db2.gz NSSCGDTYFDOYHR-UHFFFAOYSA-N -1 3 309.124 3.980 20 0 DHADHM Cc1ccc(-c2noc([N-][C@H](CCO)c3cccs3)n2)cc1 ZINC000778575035 1028854132 /nfs/dbraw/zinc/85/41/32/1028854132.db2.gz NECDDXRHMIAVNG-CYBMUJFWSA-N -1 3 315.398 3.642 20 0 DHADHM COc1c(F)cc(NCc2c(F)ccc([O-])c2F)cc1F ZINC000816523065 1028933879 /nfs/dbraw/zinc/93/38/79/1028933879.db2.gz AQBBCQQMZWYBOA-UHFFFAOYSA-N -1 3 301.239 3.569 20 0 DHADHM CC1(C)Cc2cc(NCc3c(F)ccc([O-])c3F)ccc2O1 ZINC000816563709 1028944331 /nfs/dbraw/zinc/94/43/31/1028944331.db2.gz HNZDERYRBFDYGV-UHFFFAOYSA-N -1 3 305.324 3.996 20 0 DHADHM CCOC1(C)CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000816788802 1029007717 /nfs/dbraw/zinc/00/77/17/1029007717.db2.gz XERGHJBRFKPUMW-UHFFFAOYSA-N -1 3 319.426 3.638 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000628405391 1029042140 /nfs/dbraw/zinc/04/21/40/1029042140.db2.gz KUHGTHVDDVMANS-ZDUSSCGKSA-N -1 3 317.335 3.690 20 0 DHADHM O=C([N-]OCCC(F)(F)F)C1(Cc2ccc(Cl)cc2)CC1 ZINC000779328617 1029094614 /nfs/dbraw/zinc/09/46/14/1029094614.db2.gz XHBPGBQJKQZTMB-UHFFFAOYSA-N -1 3 321.726 3.663 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000568750922 1029119884 /nfs/dbraw/zinc/11/98/84/1029119884.db2.gz PEUQZOWBMLDTCC-WPRPVWTQSA-N -1 3 316.170 3.622 20 0 DHADHM O=C([N-]OCC1CC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000817349906 1029126323 /nfs/dbraw/zinc/12/63/23/1029126323.db2.gz MGBAIOQVVREGKQ-UHFFFAOYSA-N -1 3 307.821 3.901 20 0 DHADHM Cc1ccc(O[C@@H](C)CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000568938438 1029146830 /nfs/dbraw/zinc/14/68/30/1029146830.db2.gz AVPNZMBOVBFOAQ-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM O=C(CC1CC(F)(F)C1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450088948 1029190882 /nfs/dbraw/zinc/19/08/82/1029190882.db2.gz QOJZSWGMFIHIPB-UHFFFAOYSA-N -1 3 309.234 3.785 20 0 DHADHM CC1(C)CC(CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000629121923 1029248832 /nfs/dbraw/zinc/24/88/32/1029248832.db2.gz AEDXFEBJDLBRNF-UHFFFAOYSA-N -1 3 308.447 3.592 20 0 DHADHM CCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC001135999384 1029250059 /nfs/dbraw/zinc/25/00/59/1029250059.db2.gz JRCAOPUVIVMESI-UHFFFAOYSA-N -1 3 301.411 3.776 20 0 DHADHM C[C@H]1CC(CCSc2nc3c(cnn3C)c(=O)[n-]2)C[C@H](C)C1 ZINC000629218362 1029281123 /nfs/dbraw/zinc/28/11/23/1029281123.db2.gz MDXHEFJWLNUJEU-GHMZBOCLSA-N -1 3 320.462 3.623 20 0 DHADHM CC[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@H]1c1ccccc1 ZINC000817957969 1029296838 /nfs/dbraw/zinc/29/68/38/1029296838.db2.gz GVNJDHPRWWDRHN-RHSMWYFYSA-N -1 3 324.424 3.630 20 0 DHADHM O=C(NC1(C2CCC2)CCC1)c1cc([O-])cc(Br)c1 ZINC000529484492 1029318847 /nfs/dbraw/zinc/31/88/47/1029318847.db2.gz XAYMSBTYYZBXHO-UHFFFAOYSA-N -1 3 324.218 3.607 20 0 DHADHM COC[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C)o1 ZINC000191266853 1029343503 /nfs/dbraw/zinc/34/35/03/1029343503.db2.gz GFRUXRNRSZJZRS-LBPRGKRZSA-N -1 3 313.756 3.563 20 0 DHADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)[N-]OC(C)C ZINC001159691879 1029367164 /nfs/dbraw/zinc/36/71/64/1029367164.db2.gz OSLSDVOILQREHA-UHFFFAOYSA-N -1 3 307.434 3.908 20 0 DHADHM CCOC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCC1 ZINC000818270209 1029377321 /nfs/dbraw/zinc/37/73/21/1029377321.db2.gz FNTRGMKMVJLMDV-UHFFFAOYSA-N -1 3 319.426 3.686 20 0 DHADHM CCc1cccc(C(=O)N2CCn3c(cc4ccccc43)C2)c1[O-] ZINC000570743271 1029414859 /nfs/dbraw/zinc/41/48/59/1029414859.db2.gz WCCOWSRMUGXDLY-UHFFFAOYSA-N -1 3 320.392 3.565 20 0 DHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)n1 ZINC001136214719 1029551143 /nfs/dbraw/zinc/55/11/43/1029551143.db2.gz LLEPFHPXHKVBQM-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1csc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001136219500 1029563390 /nfs/dbraw/zinc/56/33/90/1029563390.db2.gz UPZABAOMGXYCSU-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM O=C(N[C@H](c1ccccn1)C1CCC1)c1cc([O-])ccc1Cl ZINC000529831243 1029586213 /nfs/dbraw/zinc/58/62/13/1029586213.db2.gz QQVVKCTYOAWUQS-INIZCTEOSA-N -1 3 316.788 3.712 20 0 DHADHM C[C@H]1C[C@@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000303133977 1029594074 /nfs/dbraw/zinc/59/40/74/1029594074.db2.gz CLCVKLSTHXEHGV-IUCAKERBSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@H]1C[C@@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000303133977 1029594081 /nfs/dbraw/zinc/59/40/81/1029594081.db2.gz CLCVKLSTHXEHGV-IUCAKERBSA-N -1 3 318.343 3.615 20 0 DHADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1OC(C)C ZINC000451248880 1029829278 /nfs/dbraw/zinc/82/92/78/1029829278.db2.gz YOVIRMCAJHXKEM-UHFFFAOYSA-N -1 3 317.360 3.808 20 0 DHADHM C[C@H](N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)(C)C ZINC001136491838 1029868093 /nfs/dbraw/zinc/86/80/93/1029868093.db2.gz IDWHQYKRYDNZOU-JTQLQIEISA-N -1 3 320.820 3.688 20 0 DHADHM Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)c([O-])c1C ZINC001136510600 1029883710 /nfs/dbraw/zinc/88/37/10/1029883710.db2.gz FNDVCSHRLPLWRL-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(Cl)cc2)c1[O-] ZINC000530641622 1029945382 /nfs/dbraw/zinc/94/53/82/1029945382.db2.gz CMUDEEBHKLRZHF-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001206095778 1029951330 /nfs/dbraw/zinc/95/13/30/1029951330.db2.gz JRJUFXNWSOZEEP-UHFFFAOYSA-N -1 3 300.362 3.703 20 0 DHADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001206095778 1029951343 /nfs/dbraw/zinc/95/13/43/1029951343.db2.gz JRJUFXNWSOZEEP-UHFFFAOYSA-N -1 3 300.362 3.703 20 0 DHADHM CC(=O)CCCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085902 1030017071 /nfs/dbraw/zinc/01/70/71/1030017071.db2.gz XDTCDWDONFTLOH-UHFFFAOYSA-N -1 3 324.327 3.807 20 0 DHADHM CCc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1[O-] ZINC000530959824 1030091421 /nfs/dbraw/zinc/09/14/21/1030091421.db2.gz HSYQMWOBYSDDAD-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM S=c1ccc(NCc2cc(-c3cccc(Cl)c3)no2)n[n-]1 ZINC001171020626 1030315816 /nfs/dbraw/zinc/31/58/16/1030315816.db2.gz PWNOSCSUKQXZAI-UHFFFAOYSA-N -1 3 318.789 3.686 20 0 DHADHM CC(C)N(Cc1ccco1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000777562186 1030367302 /nfs/dbraw/zinc/36/73/02/1030367302.db2.gz VEBFKPUBLBDOOJ-UHFFFAOYSA-N -1 3 313.353 3.502 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@H]2CCCC[C@@H]2C)cc1[O-] ZINC001136791718 1030424219 /nfs/dbraw/zinc/42/42/19/1030424219.db2.gz ZAKQWQGWBVDVAE-GXTWGEPZSA-N -1 3 303.402 3.541 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000626267545 1030499761 /nfs/dbraw/zinc/49/97/61/1030499761.db2.gz GAXDDBSOHPJUCO-UHFFFAOYSA-N -1 3 313.397 3.760 20 0 DHADHM O=C(Nc1cc(Cl)ccc1F)c1c[n-]c2ccccc2c1=O ZINC000113737905 1030540816 /nfs/dbraw/zinc/54/08/16/1030540816.db2.gz FHMKVKRULKZCEJ-UHFFFAOYSA-N -1 3 316.719 3.573 20 0 DHADHM O=C(CCOc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000558472408 1030594136 /nfs/dbraw/zinc/59/41/36/1030594136.db2.gz BCNMNKWGPSXTNH-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1ccc([O-])c(F)c1F ZINC001212002847 1030628381 /nfs/dbraw/zinc/62/83/81/1030628381.db2.gz GWSMZCNRJZIOKS-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM CC1(C)Oc2cc(Nc3ccc([O-])c(F)c3F)ccc2NC1=O ZINC001212009498 1030650926 /nfs/dbraw/zinc/65/09/26/1030650926.db2.gz RBPQWLULQQZEAN-UHFFFAOYSA-N -1 3 320.295 3.524 20 0 DHADHM COCCOc1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212011121 1030652896 /nfs/dbraw/zinc/65/28/96/1030652896.db2.gz TUINKJARRMUKEB-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CC(=O)N1CCCc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212011014 1030653058 /nfs/dbraw/zinc/65/30/58/1030653058.db2.gz MJPNZQUOSPNLPQ-UHFFFAOYSA-N -1 3 318.323 3.713 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212010944 1030655280 /nfs/dbraw/zinc/65/52/80/1030655280.db2.gz IWGXVZDNQISCNV-UHFFFAOYSA-N -1 3 318.323 3.536 20 0 DHADHM COc1ccccc1[C@@H]1CCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC000093593976 1030700978 /nfs/dbraw/zinc/70/09/78/1030700978.db2.gz FOHHWMGHLLVARV-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)c3ccccc3C)n[n-]2)o1 ZINC000359001183 1030720297 /nfs/dbraw/zinc/72/02/97/1030720297.db2.gz LHUVQHMUFWSHLX-GFCCVEGCSA-N -1 3 324.384 3.814 20 0 DHADHM Cc1ccc(C(F)(F)F)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000825442127 1030811858 /nfs/dbraw/zinc/81/18/58/1030811858.db2.gz XVKWZZQIXHZSAZ-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(C(F)(F)F)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000825442127 1030811875 /nfs/dbraw/zinc/81/18/75/1030811875.db2.gz XVKWZZQIXHZSAZ-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM CC[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCC(C)CC1 ZINC000359285397 1030882788 /nfs/dbraw/zinc/88/27/88/1030882788.db2.gz VUCDHENXQSIFKM-RTBKNWGFSA-N -1 3 318.343 3.615 20 0 DHADHM CC[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCC(C)CC1 ZINC000359285397 1030882804 /nfs/dbraw/zinc/88/28/04/1030882804.db2.gz VUCDHENXQSIFKM-RTBKNWGFSA-N -1 3 318.343 3.615 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(OC)nn1 ZINC000078116060 1030905211 /nfs/dbraw/zinc/90/52/11/1030905211.db2.gz BULGHWXBDJEXEI-UHFFFAOYSA-N -1 3 323.805 3.503 20 0 DHADHM COCCOCc1ccc(N[C@H](C)c2cc([O-])cc(F)c2)cc1 ZINC000926766547 1030910810 /nfs/dbraw/zinc/91/08/10/1030910810.db2.gz GEAWGEJUUKJLEZ-CYBMUJFWSA-N -1 3 319.376 3.867 20 0 DHADHM CCCO[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000844083950 1030947997 /nfs/dbraw/zinc/94/79/97/1030947997.db2.gz VUQXCFQMRVETIW-QWHCGFSZSA-N -1 3 316.426 3.804 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000292385195 1030974603 /nfs/dbraw/zinc/97/46/03/1030974603.db2.gz ZLJHBHWELRYMKC-CQSZACIVSA-N -1 3 316.401 3.758 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000359836501 1031156049 /nfs/dbraw/zinc/15/60/49/1031156049.db2.gz AQJDLIMKLGTBBF-NEPJUHHUSA-N -1 3 302.378 3.528 20 0 DHADHM CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871211470 1031162684 /nfs/dbraw/zinc/16/26/84/1031162684.db2.gz SWUVSKGBIOXPAS-LBPRGKRZSA-N -1 3 303.324 3.961 20 0 DHADHM CC(C)=CCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000360025094 1031245782 /nfs/dbraw/zinc/24/57/82/1031245782.db2.gz RWWUWXOMQJDWDL-UHFFFAOYSA-N -1 3 311.378 3.515 20 0 DHADHM CCOc1cccc(F)c1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000871877217 1031369065 /nfs/dbraw/zinc/36/90/65/1031369065.db2.gz BPVUDULRKVZBIV-OLZOCXBDSA-N -1 3 311.397 3.594 20 0 DHADHM CCCCOc1ncccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872029002 1031412093 /nfs/dbraw/zinc/41/20/93/1031412093.db2.gz UTPALCFAJKEUFP-CYBMUJFWSA-N -1 3 318.392 3.956 20 0 DHADHM CCCOc1ncccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872029843 1031413882 /nfs/dbraw/zinc/41/38/82/1031413882.db2.gz ZFVROBGZENWLHW-LBPRGKRZSA-N -1 3 304.365 3.566 20 0 DHADHM CO[C@@H](C)c1nc(CN[C@@H](C)c2cccc([O-])c2F)cs1 ZINC000872041764 1031425964 /nfs/dbraw/zinc/42/59/64/1031425964.db2.gz KVFOVHJZTBGRFH-UWVGGRQHSA-N -1 3 310.394 3.546 20 0 DHADHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1cccc([O-])c1F ZINC000872052020 1031440642 /nfs/dbraw/zinc/44/06/42/1031440642.db2.gz AHMBASMUZITQBV-GFCCVEGCSA-N -1 3 318.392 3.954 20 0 DHADHM C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872064236 1031457843 /nfs/dbraw/zinc/45/78/43/1031457843.db2.gz DJWXUNVDTFRWNG-QMTHXVAHSA-N -1 3 305.324 3.845 20 0 DHADHM C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1F ZINC000872071437 1031466649 /nfs/dbraw/zinc/46/66/49/1031466649.db2.gz PBUUPFCFEOAFRQ-NHYWBVRUSA-N -1 3 323.795 3.959 20 0 DHADHM COc1ccccc1C1(N[C@H](C)c2cccc([O-])c2F)CC1 ZINC000872081418 1031476080 /nfs/dbraw/zinc/47/60/80/1031476080.db2.gz GWGYEQUWFJFEIS-GFCCVEGCSA-N -1 3 301.361 3.880 20 0 DHADHM COCCOCc1ccc(N[C@H](C)c2cccc([O-])c2F)cc1 ZINC000872090783 1031488388 /nfs/dbraw/zinc/48/83/88/1031488388.db2.gz SIOFYTZVRODCDT-CYBMUJFWSA-N -1 3 319.376 3.867 20 0 DHADHM COc1cccc([C@@H]2CCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144561636 1031713388 /nfs/dbraw/zinc/71/33/88/1031713388.db2.gz KNGGOTSOYFGNGW-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC001144664556 1031800340 /nfs/dbraw/zinc/80/03/40/1031800340.db2.gz JKQXKIJNKGXZNB-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM CCc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC000561326129 1031825284 /nfs/dbraw/zinc/82/52/84/1031825284.db2.gz QSJPNYUACAAYRQ-UHFFFAOYSA-N -1 3 318.739 3.565 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3CCC=CCC3)c2)n1 ZINC000873507344 1031853007 /nfs/dbraw/zinc/85/30/07/1031853007.db2.gz JOQCWJOZSRRIFG-UHFFFAOYSA-N -1 3 324.380 3.809 20 0 DHADHM C/C(=C/CN1CC=C(c2cccc3ccccc32)CC1)C(=O)[O-] ZINC000846244409 1031940437 /nfs/dbraw/zinc/94/04/37/1031940437.db2.gz VREHRJGOJZQIOP-DHDCSXOGSA-N -1 3 307.393 3.960 20 0 DHADHM CC(C)(C)Oc1cccc(CCC(=O)[N-]OC2CCCCC2)n1 ZINC000777948227 1031992902 /nfs/dbraw/zinc/99/29/02/1031992902.db2.gz AIBJHGSZDBDUOZ-UHFFFAOYSA-N -1 3 320.433 3.572 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001144884406 1032034706 /nfs/dbraw/zinc/03/47/06/1032034706.db2.gz LVQJOVPOPIYCLU-LLVKDONJSA-N -1 3 318.442 3.946 20 0 DHADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OC1CCCCC1 ZINC000777961192 1032045473 /nfs/dbraw/zinc/04/54/73/1032045473.db2.gz LAWRRAXSSUMXQQ-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000777966079 1032050532 /nfs/dbraw/zinc/05/05/32/1032050532.db2.gz YWAIQMVQAXVIGI-UHFFFAOYSA-N -1 3 309.793 3.683 20 0 DHADHM Cc1oc(-c2ccccc2)nc1CO[N-]C(=O)CC(C)(C)C ZINC000842059989 1032056826 /nfs/dbraw/zinc/05/68/26/1032056826.db2.gz DERLGAHIYIEVEH-UHFFFAOYSA-N -1 3 302.374 3.634 20 0 DHADHM CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CCCCC1 ZINC000117318901 1033337882 /nfs/dbraw/zinc/33/78/82/1033337882.db2.gz RVEHBSHEBKELGG-UHFFFAOYSA-N -1 3 317.462 3.615 20 0 DHADHM CCCCN(Cn1[n-]c(-c2ccccn2)nc1=S)[C@H](C)CC ZINC000117319276 1033337997 /nfs/dbraw/zinc/33/79/97/1033337997.db2.gz MOJTVFPRQBDTBQ-CYBMUJFWSA-N -1 3 319.478 3.861 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000877898396 1033504234 /nfs/dbraw/zinc/50/42/34/1033504234.db2.gz LANZURVVTXDYPY-INIZCTEOSA-N -1 3 321.380 3.779 20 0 DHADHM C[C@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)Cc2ccccc21 ZINC000877937397 1033523202 /nfs/dbraw/zinc/52/32/02/1033523202.db2.gz LWHGPNGPOTZELQ-ZDUSSCGKSA-N -1 3 321.380 3.562 20 0 DHADHM Cc1ccc([C@H](C)N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000877969028 1033535249 /nfs/dbraw/zinc/53/52/49/1033535249.db2.gz URCNJJVMYHIFFU-AWEZNQCLSA-N -1 3 323.396 3.944 20 0 DHADHM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C)cc1C ZINC000478701247 1033561355 /nfs/dbraw/zinc/56/13/55/1033561355.db2.gz HOUALQUGCDOAKG-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@@H]1Cc2ccccc2N(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878056351 1033567216 /nfs/dbraw/zinc/56/72/16/1033567216.db2.gz DSAQVDCIQHLJAQ-CYBMUJFWSA-N -1 3 321.380 3.641 20 0 DHADHM Cc1c(-c2noc(-c3cncc([O-])c3)n2)cccc1C(F)(F)F ZINC001212708847 1033572576 /nfs/dbraw/zinc/57/25/76/1033572576.db2.gz SBMMVSIGKCXUBE-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001137250607 1033600634 /nfs/dbraw/zinc/60/06/34/1033600634.db2.gz ZCHJAUBTTARSIX-INIZCTEOSA-N -1 3 313.397 3.918 20 0 DHADHM CC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(C)cc1 ZINC000878344260 1033666925 /nfs/dbraw/zinc/66/69/25/1033666925.db2.gz AMTHXDUJLGRXKS-INIZCTEOSA-N -1 3 323.396 3.992 20 0 DHADHM CC(=O)c1ccc(C(=O)N([C@H](C)c2ccccc2)C2CC2)cc1[O-] ZINC000667453961 1033694016 /nfs/dbraw/zinc/69/40/16/1033694016.db2.gz ZJCZEUOIJMGMGL-CYBMUJFWSA-N -1 3 323.392 3.961 20 0 DHADHM COc1ccc(CN[C@@H](C)c2cccc([O-])c2F)c(C)c1OC ZINC000927122884 1033920337 /nfs/dbraw/zinc/92/03/37/1033920337.db2.gz LMOUOFNSPXZDDS-LBPRGKRZSA-N -1 3 319.376 3.708 20 0 DHADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)cc1OC ZINC001173885103 1033967388 /nfs/dbraw/zinc/96/73/88/1033967388.db2.gz JEOQVXHILQCXFF-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM COC(=O)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001173962556 1033982178 /nfs/dbraw/zinc/98/21/78/1033982178.db2.gz ZTAHUKDBQLZSLM-UHFFFAOYSA-N -1 3 300.339 3.532 20 0 DHADHM CCN(CC)C(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001174063303 1034066651 /nfs/dbraw/zinc/06/66/51/1034066651.db2.gz POHRSETVDQNWNW-UHFFFAOYSA-N -1 3 316.405 3.593 20 0 DHADHM [O-]c1cccc(Nc2ccnc3ccccc32)c1Br ZINC001174039253 1034095634 /nfs/dbraw/zinc/09/56/34/1034095634.db2.gz KGCXVDMOACNHNI-UHFFFAOYSA-N -1 3 315.170 3.868 20 0 DHADHM CC(C)CNC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174079516 1034135393 /nfs/dbraw/zinc/13/53/93/1034135393.db2.gz ZNQGEBITTTWURG-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM COc1ccccc1CO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000879860511 1034143137 /nfs/dbraw/zinc/14/31/37/1034143137.db2.gz POFBEAXARWZCDR-UHFFFAOYSA-N -1 3 319.323 3.612 20 0 DHADHM CCCCNC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174122845 1034145662 /nfs/dbraw/zinc/14/56/62/1034145662.db2.gz WKNWYYLCRFYRKP-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174187209 1034203774 /nfs/dbraw/zinc/20/37/74/1034203774.db2.gz LHEYNLGNCQUPQP-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM Cc1cccc(CN(Cc2ccccn2)Cc2ncccc2[O-])c1 ZINC000554853202 1034374255 /nfs/dbraw/zinc/37/42/55/1034374255.db2.gz NDQMTKNIPLTUSC-UHFFFAOYSA-N -1 3 319.408 3.693 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc2cnccc2o1 ZINC000864528183 1034376171 /nfs/dbraw/zinc/37/61/71/1034376171.db2.gz MKAMPGLFWQQCSH-QGZVFWFLSA-N -1 3 324.380 3.696 20 0 DHADHM CC(C)=CC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000864527629 1034377647 /nfs/dbraw/zinc/37/76/47/1034377647.db2.gz FAKBGDPUJVOQCY-SECBINFHSA-N -1 3 308.230 3.954 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1ccc(CN2CCOCC2)cc1 ZINC001174446480 1034389877 /nfs/dbraw/zinc/38/98/77/1034389877.db2.gz NTFMNSTZEXIULI-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM O=C(CCOc1ccccc1)[N-]OCc1cccc(C(F)F)c1 ZINC000794719756 1034433766 /nfs/dbraw/zinc/43/37/66/1034433766.db2.gz HYYXOIZAWGFLGO-UHFFFAOYSA-N -1 3 321.323 3.641 20 0 DHADHM CNc1ncc2cc(Nc3cccc([O-])c3Cl)ccc2n1 ZINC001174535370 1034451306 /nfs/dbraw/zinc/45/13/06/1034451306.db2.gz SPNIYQXOHIKGCV-UHFFFAOYSA-N -1 3 300.749 3.774 20 0 DHADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184224908 1034453612 /nfs/dbraw/zinc/45/36/12/1034453612.db2.gz YVCQBUYAEGZDMW-ZDUSSCGKSA-N -1 3 317.360 3.576 20 0 DHADHM [O-]c1cc(Nc2ccc(N3CCCCC3)nc2)c(F)cc1F ZINC001174524042 1034482767 /nfs/dbraw/zinc/48/27/67/1034482767.db2.gz BAIMZJWRGVHGOC-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM COc1cc(Nc2cccc([O-])c2Br)ccc1O ZINC001174544822 1034497088 /nfs/dbraw/zinc/49/70/88/1034497088.db2.gz NNXDPFBPRHFNMP-UHFFFAOYSA-N -1 3 310.147 3.613 20 0 DHADHM [O-]c1cccc2sc(Nc3cnn([C@H]4CCCCO4)c3)nc21 ZINC001174599662 1034530223 /nfs/dbraw/zinc/53/02/23/1034530223.db2.gz PGBMLIXAJODFBV-CYBMUJFWSA-N -1 3 316.386 3.641 20 0 DHADHM CC(C)(C)c1nsc([N-]c2cncc(C(F)(F)F)c2)n1 ZINC001174740161 1034589072 /nfs/dbraw/zinc/58/90/72/1034589072.db2.gz JCMUTTPGWMCOHI-UHFFFAOYSA-N -1 3 302.325 3.993 20 0 DHADHM CCC[C@H](O)CCCSCc1noc(-c2ccccc2[O-])n1 ZINC000865380268 1034617919 /nfs/dbraw/zinc/61/79/19/1034617919.db2.gz KPJWPRSREXYAII-LBPRGKRZSA-N -1 3 322.430 3.617 20 0 DHADHM COc1ccc2ccc(C(=O)Nc3ccc(F)c([O-])c3)cc2c1 ZINC001174823946 1034621274 /nfs/dbraw/zinc/62/12/74/1034621274.db2.gz LXEJDGBUNSJOJZ-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1N ZINC001174936753 1034696964 /nfs/dbraw/zinc/69/69/64/1034696964.db2.gz IUXNAOFMLNUTGH-UHFFFAOYSA-N -1 3 311.154 3.928 20 0 DHADHM O=c1ccoc2ccc(Nc3cnc4cccc([O-])c4c3)cc12 ZINC001174942430 1034699405 /nfs/dbraw/zinc/69/94/05/1034699405.db2.gz KXSAWPFOXOLLNP-UHFFFAOYSA-N -1 3 304.305 3.790 20 0 DHADHM CCOc1ccc(Nc2cnc(C)[n-]c2=O)cc1C(F)(F)F ZINC001175034086 1034765103 /nfs/dbraw/zinc/76/51/03/1034765103.db2.gz FVOPZJKGPSHYDW-UHFFFAOYSA-N -1 3 313.279 3.652 20 0 DHADHM [O-]c1cc(F)c(Nc2cccc(Cn3cccn3)c2)c(F)c1 ZINC001175100268 1034781841 /nfs/dbraw/zinc/78/18/41/1034781841.db2.gz OWNBCLZMJWRSKV-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(C)OC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100227 1034781902 /nfs/dbraw/zinc/78/19/02/1034781902.db2.gz OGBOWZVKTURKAS-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM COc1cc(Nc2nc3c(cccc3[O-])s2)cc(OC)c1 ZINC001175103327 1034783863 /nfs/dbraw/zinc/78/38/63/1034783863.db2.gz PLZDZAXNWULCOH-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM COC(=O)c1cc(C)c(C)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102322 1034784547 /nfs/dbraw/zinc/78/45/47/1034784547.db2.gz IPFANRSUCVKUDE-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM Cc1cc(=O)[nH]c2cc(Nc3c(F)cc([O-])cc3F)ccc12 ZINC001175098026 1034812447 /nfs/dbraw/zinc/81/24/47/1034812447.db2.gz WDYWYHRAKHWTDW-UHFFFAOYSA-N -1 3 302.280 3.976 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(OCC(F)(F)F)nc2)c1F ZINC001175263634 1034911692 /nfs/dbraw/zinc/91/16/92/1034911692.db2.gz NRNAXKWAPWSKMH-UHFFFAOYSA-N -1 3 320.217 3.750 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(Br)ncc2F)c1F ZINC001175262929 1034912720 /nfs/dbraw/zinc/91/27/20/1034912720.db2.gz DJWQJGWNWHRTSX-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM COc1ccc2cc(Nc3c(F)ccc([O-])c3F)cnc2c1 ZINC001175262872 1034912729 /nfs/dbraw/zinc/91/27/29/1034912729.db2.gz AMXNFEPSDPFQFA-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COc1cc(Nc2c(F)ccc([O-])c2F)ncc1C(F)(F)F ZINC001175265365 1034914359 /nfs/dbraw/zinc/91/43/59/1034914359.db2.gz MRCDOPIEADKZCF-UHFFFAOYSA-N -1 3 320.217 3.836 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(OC)c1 ZINC001175268528 1034914436 /nfs/dbraw/zinc/91/44/36/1034914436.db2.gz SFCDYHHMZNQWGZ-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM O=C1c2c(cccc2Nc2c(F)ccc([O-])c2F)CN1C1CC1 ZINC001175270524 1034916321 /nfs/dbraw/zinc/91/63/21/1034916321.db2.gz CZCDPEXCDICWHB-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccccc2OC2CCOCC2)c1F ZINC001175269814 1034916682 /nfs/dbraw/zinc/91/66/82/1034916682.db2.gz MRXUPXMERBTAKY-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM CC1(C)COC(c2ccccc2Nc2c(F)ccc([O-])c2F)=N1 ZINC001175270756 1034916961 /nfs/dbraw/zinc/91/69/61/1034916961.db2.gz IYOVSDCOSXWPEO-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM COC(=O)[C@H]1CCc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175270902 1034916988 /nfs/dbraw/zinc/91/69/88/1034916988.db2.gz NLZQZQIEEZLIJM-LBPRGKRZSA-N -1 3 319.307 3.617 20 0 DHADHM c1ccc(-c2ncccc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175425289 1034978172 /nfs/dbraw/zinc/97/81/72/1034978172.db2.gz QNJURKZQYUDTBO-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM CCCCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428145 1034979184 /nfs/dbraw/zinc/97/91/84/1034979184.db2.gz DUNDVTOQRSGKRC-UHFFFAOYSA-N -1 3 309.373 3.789 20 0 DHADHM CC(C)Oc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175432288 1034981213 /nfs/dbraw/zinc/98/12/13/1034981213.db2.gz YVBKMHRXKYWFBV-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM Fc1c(Cl)ccc(Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001175430191 1034981294 /nfs/dbraw/zinc/98/12/94/1034981294.db2.gz JTFPEAPWZNOJCZ-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM O=C1CCCCc2c(Nc3ccc(-c4nn[n-]n4)cc3)cccc21 ZINC001175433225 1034982283 /nfs/dbraw/zinc/98/22/83/1034982283.db2.gz TTZXBCQKZHYGQH-UHFFFAOYSA-N -1 3 319.368 3.519 20 0 DHADHM COc1ccc(Nc2cc(Cl)c([O-])cc2Cl)c(OC)n1 ZINC001175584314 1035030713 /nfs/dbraw/zinc/03/07/13/1035030713.db2.gz QPQMTVRUIVSTJP-UHFFFAOYSA-N -1 3 315.156 3.855 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(CO)cc1 ZINC001175573322 1035047283 /nfs/dbraw/zinc/04/72/83/1035047283.db2.gz SJIMCXBPTNRXBX-UHFFFAOYSA-N -1 3 312.138 3.530 20 0 DHADHM CN1CCC=C(Nc2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)C1 ZINC001175577604 1035050540 /nfs/dbraw/zinc/05/05/40/1035050540.db2.gz DTZISMQHKDWXLX-MRXNPFEDSA-N -1 3 302.418 3.532 20 0 DHADHM CC(C)c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1O ZINC001175756447 1035110521 /nfs/dbraw/zinc/11/05/21/1035110521.db2.gz KSKGDMWVCGXTHD-UHFFFAOYSA-N -1 3 322.364 3.609 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(F)cn1 ZINC001175850944 1035142898 /nfs/dbraw/zinc/14/28/98/1035142898.db2.gz VGASAASICVZEMN-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1cccc(CN2CCOCC2)c1 ZINC001175859284 1035146213 /nfs/dbraw/zinc/14/62/13/1035146213.db2.gz DSNZEGAHLRYPOK-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM CCOC(=O)c1nnsc1[N-]c1ccc(F)c2ccccc12 ZINC001175955323 1035178298 /nfs/dbraw/zinc/17/82/98/1035178298.db2.gz IBZKOOWHDIUPQJ-UHFFFAOYSA-N -1 3 317.345 3.751 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(CC)ccc2[O-])C1 ZINC000162867181 1035278490 /nfs/dbraw/zinc/27/84/90/1035278490.db2.gz IQQZQIYLERWZTD-KGLIPLIRSA-N -1 3 307.459 3.701 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1cc(F)cc(N2CCOCC2)c1 ZINC001176500245 1035281679 /nfs/dbraw/zinc/28/16/79/1035281679.db2.gz ZHXDZQYAIJKBHQ-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM [O-]c1cccc(Nc2cnc(N3CCCCC3)nc2)c1Cl ZINC001176508222 1035284236 /nfs/dbraw/zinc/28/42/36/1035284236.db2.gz NPDCVOAQCOWGRO-UHFFFAOYSA-N -1 3 304.781 3.570 20 0 DHADHM CCOC(=O)c1cnoc1[N-]c1ccc(Cl)cc1Cl ZINC001176652744 1035316141 /nfs/dbraw/zinc/31/61/41/1035316141.db2.gz NKQGPJVGGMAUGR-UHFFFAOYSA-N -1 3 301.129 3.902 20 0 DHADHM Cc1coc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000163422277 1035317792 /nfs/dbraw/zinc/31/77/92/1035317792.db2.gz ZMBPXIADYFPACA-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904005451 1035343787 /nfs/dbraw/zinc/34/37/87/1035343787.db2.gz RRWGYBRHCMUWOD-IFXJQAMLSA-N -1 3 324.424 3.512 20 0 DHADHM CC(C)CCC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000904039291 1035349974 /nfs/dbraw/zinc/34/99/74/1035349974.db2.gz XAQXMPGROOQLTF-AWEZNQCLSA-N -1 3 301.789 3.848 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)[N-]Oc1ccccc1F ZINC001177109820 1035350374 /nfs/dbraw/zinc/35/03/74/1035350374.db2.gz RKQGSGSJADXHED-ZDUSSCGKSA-N -1 3 317.360 3.513 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)c(C)c1 ZINC001177200594 1035354567 /nfs/dbraw/zinc/35/45/67/1035354567.db2.gz WJLKDTYAJVILMY-UHFFFAOYSA-N -1 3 305.324 3.574 20 0 DHADHM O=C(Nc1cc2ccccc2cc1[O-])C(F)(F)c1ccccn1 ZINC001177299804 1035360857 /nfs/dbraw/zinc/36/08/57/1035360857.db2.gz DYJKKSMMIWAFNW-UHFFFAOYSA-N -1 3 314.291 3.671 20 0 DHADHM CCC1(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])CCC1 ZINC001179023361 1035459374 /nfs/dbraw/zinc/45/93/74/1035459374.db2.gz KWSDHURBLDWWFL-UHFFFAOYSA-N -1 3 319.401 3.866 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C ZINC000485040690 1035459744 /nfs/dbraw/zinc/45/97/44/1035459744.db2.gz DMUAMINFIDSGRY-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1 ZINC000485081424 1035469728 /nfs/dbraw/zinc/46/97/28/1035469728.db2.gz UMOQIIQTICJWGE-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CCCCC1 ZINC000485101703 1035471788 /nfs/dbraw/zinc/47/17/88/1035471788.db2.gz CFCCXSLBWAYGNQ-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccccc2)s1 ZINC000905030840 1035477719 /nfs/dbraw/zinc/47/77/19/1035477719.db2.gz XHYTYXTWJSQIMT-UHFFFAOYSA-N -1 3 319.386 3.742 20 0 DHADHM FC(F)c1nnc([N-]Cc2csc(-c3ccsc3)n2)o1 ZINC000189284343 1035518994 /nfs/dbraw/zinc/51/89/94/1035518994.db2.gz COEPHOPQZSAWSJ-UHFFFAOYSA-N -1 3 314.342 3.804 20 0 DHADHM CCCC[C@H](C)NC(=O)Nc1cc(Br)ccc1[O-] ZINC001193062194 1035545890 /nfs/dbraw/zinc/54/58/90/1035545890.db2.gz IBVPGWQNJWVPCC-VIFPVBQESA-N -1 3 315.211 3.855 20 0 DHADHM O=C(NOC1CCCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000775600187 1035668052 /nfs/dbraw/zinc/66/80/52/1035668052.db2.gz IKHURWBRSIECQK-UHFFFAOYSA-N -1 3 311.381 3.587 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C(C)C)o1 ZINC001193589893 1035672040 /nfs/dbraw/zinc/67/20/40/1035672040.db2.gz VVIMYEOKLQQTJZ-KRWDZBQOSA-N -1 3 321.442 3.524 20 0 DHADHM C=Cc1ccc(CNC(=O)c2ccc([O-])cc2C(F)(F)F)cc1 ZINC001193758730 1035730983 /nfs/dbraw/zinc/73/09/83/1035730983.db2.gz ZUTCDWYLLXOOES-UHFFFAOYSA-N -1 3 321.298 3.984 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc(COC(C)C)c1 ZINC001193935766 1035764108 /nfs/dbraw/zinc/76/41/08/1035764108.db2.gz CTGIVFABASARHD-UHFFFAOYSA-N -1 3 315.369 3.584 20 0 DHADHM Cc1ccc(OC(C)C)cc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193936129 1035765042 /nfs/dbraw/zinc/76/50/42/1035765042.db2.gz JQCNQJFJJYMDMZ-UHFFFAOYSA-N -1 3 315.369 3.754 20 0 DHADHM O=C(Nc1cncc([O-])c1)C1(c2ccc(Cl)cc2Cl)CC1 ZINC001180853827 1035773133 /nfs/dbraw/zinc/77/31/33/1035773133.db2.gz FUZHFRHKRBXYAQ-UHFFFAOYSA-N -1 3 323.179 3.764 20 0 DHADHM Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)c([O-])c1C ZINC001181192835 1035860925 /nfs/dbraw/zinc/86/09/25/1035860925.db2.gz NFSSUMQKKLUTJE-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCOCC23CCCC3)c([O-])c1 ZINC001181241561 1035864809 /nfs/dbraw/zinc/86/48/09/1035864809.db2.gz JKBHQANBJUEJBG-QGZVFWFLSA-N -1 3 317.429 3.595 20 0 DHADHM COc1cc(CNC(=O)Oc2ccc(C)cc2)cc(Cl)c1[O-] ZINC001194480930 1035943960 /nfs/dbraw/zinc/94/39/60/1035943960.db2.gz DHXBYKZXNVZRKW-UHFFFAOYSA-N -1 3 321.760 3.651 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001194602018 1035968113 /nfs/dbraw/zinc/96/81/13/1035968113.db2.gz BVGXFYQCSDAVTH-UHFFFAOYSA-N -1 3 312.394 3.652 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H](Cc1ccccc1)c1ccccc1 ZINC001181823761 1036006497 /nfs/dbraw/zinc/00/64/97/1036006497.db2.gz QBKBBQPYDCPOSM-QGZVFWFLSA-N -1 3 318.376 3.752 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000540206494 1036015084 /nfs/dbraw/zinc/01/50/84/1036015084.db2.gz RFXAFGGXELCMBD-HZPDHXFCSA-N -1 3 319.426 3.593 20 0 DHADHM Cc1ccc2c(cccc2NC(=O)c2cnc(C(F)(F)F)[n-]2)n1 ZINC001194782035 1036021053 /nfs/dbraw/zinc/02/10/53/1036021053.db2.gz KRWIGWMHYDWOAL-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001195048223 1036116062 /nfs/dbraw/zinc/11/60/62/1036116062.db2.gz LJJUSOCWSNVZEE-UHFFFAOYSA-N -1 3 317.552 3.707 20 0 DHADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000774092759 1036160605 /nfs/dbraw/zinc/16/06/05/1036160605.db2.gz PQYFNAOIKKCURU-CYBMUJFWSA-N -1 3 317.410 3.581 20 0 DHADHM [O-]c1cccc(CN2CCC([C@H]3CCCCO3)CC2)c1Cl ZINC000668628499 1036289794 /nfs/dbraw/zinc/28/97/94/1036289794.db2.gz YIJOAHPVVUVQEV-MRXNPFEDSA-N -1 3 309.837 3.827 20 0 DHADHM FC(F)(F)[C@H]([N-]c1ncc2ccsc2n1)c1ccccn1 ZINC001168480002 1036321245 /nfs/dbraw/zinc/32/12/45/1036321245.db2.gz VUMFKCUXLPIURX-SNVBAGLBSA-N -1 3 310.304 3.802 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000541399300 1036321982 /nfs/dbraw/zinc/32/19/82/1036321982.db2.gz DBRNQIKFQQUKDM-SNVBAGLBSA-N -1 3 320.186 3.897 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC(C3CCCCC3)CC2)n1 ZINC001195860786 1036359185 /nfs/dbraw/zinc/35/91/85/1036359185.db2.gz GBJAGINXANNOJL-UHFFFAOYSA-N -1 3 303.450 3.537 20 0 DHADHM Cc1nc(COC(=O)c2cc3ccsc3[n-]2)nc2ccccc12 ZINC000914891748 1036442564 /nfs/dbraw/zinc/44/25/64/1036442564.db2.gz SBVIFBVLZZYVMW-UHFFFAOYSA-N -1 3 323.377 3.838 20 0 DHADHM CCOC(=O)c1ncsc1[N-]c1c(F)ccc(Cl)c1F ZINC001250090507 1036466253 /nfs/dbraw/zinc/46/62/53/1036466253.db2.gz POJDYOBRKCFSFX-UHFFFAOYSA-N -1 3 318.732 3.995 20 0 DHADHM O=C([N-]c1cc(C2CCCC2)no1)C(=O)c1ccc(Cl)cc1 ZINC001182892288 1036476537 /nfs/dbraw/zinc/47/65/37/1036476537.db2.gz QFBCPQVDUWFIKY-UHFFFAOYSA-N -1 3 318.760 3.807 20 0 DHADHM COc1ccccc1NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001196251702 1036481068 /nfs/dbraw/zinc/48/10/68/1036481068.db2.gz HNTNMGIWGMKMCR-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](c1ccccc1)C(C)C ZINC001183576394 1036626444 /nfs/dbraw/zinc/62/64/44/1036626444.db2.gz FYZAMKOFJQEPJP-KRWDZBQOSA-N -1 3 311.381 3.973 20 0 DHADHM [O-]c1ccc(NC(=S)NCc2ccccc2Cl)cc1F ZINC001196824662 1036630520 /nfs/dbraw/zinc/63/05/20/1036630520.db2.gz MPUZBPTWDRGIGT-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1-n1cccc1 ZINC000762321749 1036706494 /nfs/dbraw/zinc/70/64/94/1036706494.db2.gz VPVMXCHEUUHUHH-UHFFFAOYSA-N -1 3 310.328 3.883 20 0 DHADHM CCc1nc([N-]C(=O)c2nnc(C3CC3)o2)sc1C(C)(C)C ZINC000909928708 1036720605 /nfs/dbraw/zinc/72/06/05/1036720605.db2.gz AKISRTHJTYEZLF-UHFFFAOYSA-N -1 3 320.418 3.516 20 0 DHADHM O=C(OC[C@H]1CCC2(CCCC2)O1)c1cccc(Cl)c1[O-] ZINC000784563435 1036737481 /nfs/dbraw/zinc/73/74/81/1036737481.db2.gz OXODPEPXFGMSPU-LLVKDONJSA-N -1 3 310.777 3.694 20 0 DHADHM CC(C)C(=O)Nc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001197666753 1036831401 /nfs/dbraw/zinc/83/14/01/1036831401.db2.gz YXQYOHWAYOLXJG-UHFFFAOYSA-N -1 3 305.765 3.779 20 0 DHADHM COc1cc(C(=O)O[C@H](C)c2cccc(C)c2)cc(OC)c1[O-] ZINC000784359647 1036846875 /nfs/dbraw/zinc/84/68/75/1036846875.db2.gz CTECPHNTMZZHFN-GFCCVEGCSA-N -1 3 316.353 3.636 20 0 DHADHM O=C(Nc1cccc(Oc2ccccc2)n1)c1c([O-])cccc1O ZINC001184461682 1036852777 /nfs/dbraw/zinc/85/27/77/1036852777.db2.gz WNWJSXWRVWCOSF-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM Fc1ccccc1[N-]c1nnc(Sc2nccnc2F)s1 ZINC001184571925 1036889991 /nfs/dbraw/zinc/88/99/91/1036889991.db2.gz GTPGWUKRNXOOPP-UHFFFAOYSA-N -1 3 323.353 3.501 20 0 DHADHM CCC(CC)n1ccc(CN(CC)C2CCC(C(=O)[O-])CC2)n1 ZINC000570107488 1036932945 /nfs/dbraw/zinc/93/29/45/1036932945.db2.gz MFZWURBFOTYLLM-UHFFFAOYSA-N -1 3 321.465 3.710 20 0 DHADHM O=C(NCCc1ccccc1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001184940039 1036971523 /nfs/dbraw/zinc/97/15/23/1036971523.db2.gz XILLLRYJESUOPU-UHFFFAOYSA-N -1 3 324.302 3.775 20 0 DHADHM C=CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001198609019 1037079763 /nfs/dbraw/zinc/07/97/63/1037079763.db2.gz NOMOIVZEECIDPG-UHFFFAOYSA-N -1 3 319.226 3.609 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ncccc1C1CCC1 ZINC001185277140 1037089302 /nfs/dbraw/zinc/08/93/02/1037089302.db2.gz GNDNALQVHLWOPO-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc(F)c(F)c1F ZINC001185293980 1037095901 /nfs/dbraw/zinc/09/59/01/1037095901.db2.gz GKIJPAQJSQITDW-UHFFFAOYSA-N -1 3 323.230 3.996 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OC2CCCC2)c(Cl)c1 ZINC000774865300 1037120305 /nfs/dbraw/zinc/12/03/05/1037120305.db2.gz GOGTXWGBDJCOFU-UHFFFAOYSA-N -1 3 311.809 3.798 20 0 DHADHM COc1ccc(CCCCCC(=O)[N-]OC2CCCC2)cc1 ZINC000774862942 1037130008 /nfs/dbraw/zinc/13/00/08/1037130008.db2.gz IKCMLXJJDRKPTA-UHFFFAOYSA-N -1 3 305.418 3.789 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(C)c1 ZINC001198816897 1037137765 /nfs/dbraw/zinc/13/77/65/1037137765.db2.gz RDBNJMJFSHKVBA-UHFFFAOYSA-N -1 3 317.366 3.551 20 0 DHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)c1ccc(F)cc1 ZINC000775932153 1037193925 /nfs/dbraw/zinc/19/39/25/1037193925.db2.gz DECGFTXUWOLAHW-VIFPVBQESA-N -1 3 322.719 3.613 20 0 DHADHM Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000025981536 1037198306 /nfs/dbraw/zinc/19/83/06/1037198306.db2.gz FGYAHNKCURLIRM-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000177665200 1037257891 /nfs/dbraw/zinc/25/78/91/1037257891.db2.gz JOWTUJFKHVLCJG-UHFFFAOYSA-N -1 3 324.405 3.858 20 0 DHADHM Cc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1F ZINC000025425546 1037340431 /nfs/dbraw/zinc/34/04/31/1037340431.db2.gz KWTWCSCHMBPULF-UHFFFAOYSA-N -1 3 313.328 3.867 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186453667 1037403370 /nfs/dbraw/zinc/40/33/70/1037403370.db2.gz VHGNVBXODJIPSJ-CQSZACIVSA-N -1 3 300.333 3.730 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(F)cc3cccnc32)n1 ZINC000763207986 1037476562 /nfs/dbraw/zinc/47/65/62/1037476562.db2.gz FXIHXVXLRGXWKJ-UHFFFAOYSA-N -1 3 315.373 3.611 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1C1CCCCC1 ZINC000056092551 1037519542 /nfs/dbraw/zinc/51/95/42/1037519542.db2.gz AKMWXGDSDSECSC-SFHVURJKSA-N -1 3 324.424 3.713 20 0 DHADHM Cc1cc(C)cc(NC(=S)Nc2ncc([O-])cc2Cl)c1 ZINC001201199035 1037565787 /nfs/dbraw/zinc/56/57/87/1037565787.db2.gz JCZAOWWBWAQPSB-UHFFFAOYSA-N -1 3 307.806 3.866 20 0 DHADHM CC(C)[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000490192295 1037632997 /nfs/dbraw/zinc/63/29/97/1037632997.db2.gz FHOBSRKNSHLDDL-AWEZNQCLSA-N -1 3 324.384 3.833 20 0 DHADHM O=C(Nc1ccc(F)c(Cl)c1)Nc1ncc([O-])cc1Cl ZINC001187677755 1037689429 /nfs/dbraw/zinc/68/94/29/1037689429.db2.gz HHPCXRKNLGLHRG-UHFFFAOYSA-N -1 3 316.119 3.877 20 0 DHADHM O=S(=O)([N-]c1ccccc1SC(F)(F)F)C1CCC1 ZINC001188131337 1037819799 /nfs/dbraw/zinc/81/97/99/1037819799.db2.gz ZZLXJXIUAIYDNV-UHFFFAOYSA-N -1 3 311.350 3.593 20 0 DHADHM COc1cc(NC(=O)c2c(C)cccc2[O-])cc2cccnc21 ZINC001188655295 1037943749 /nfs/dbraw/zinc/94/37/49/1037943749.db2.gz NOHIWJQLKIMGKQ-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188734301 1037972995 /nfs/dbraw/zinc/97/29/95/1037972995.db2.gz HRTWWAZDRDGRCF-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(Cl)c3)n[n-]2)o1 ZINC000916851642 1037989996 /nfs/dbraw/zinc/98/99/96/1037989996.db2.gz CIMFKVNXXYPXEB-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(Cl)c3)[n-]n2)o1 ZINC000916851642 1037990006 /nfs/dbraw/zinc/99/00/06/1037990006.db2.gz CIMFKVNXXYPXEB-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1c(F)cccc1F ZINC001202032632 1038011552 /nfs/dbraw/zinc/01/15/52/1038011552.db2.gz PJUIRULMNJSWEQ-UHFFFAOYSA-N -1 3 322.315 3.626 20 0 DHADHM O=S(=O)(CC1CC1)[N-]c1ccccc1-c1ccc(Cl)cn1 ZINC001188976788 1038012835 /nfs/dbraw/zinc/01/28/35/1038012835.db2.gz HXAJXYULUPEOKC-UHFFFAOYSA-N -1 3 322.817 3.554 20 0 DHADHM CC(C)(C)c1cccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001188984385 1038031567 /nfs/dbraw/zinc/03/15/67/1038031567.db2.gz YWARXRXHJUCZCZ-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM COc1ccccc1NC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001202113356 1038067487 /nfs/dbraw/zinc/06/74/87/1038067487.db2.gz KDFRXQYYVAFLKW-UHFFFAOYSA-N -1 3 315.354 3.655 20 0 DHADHM CC[C@@H](C)n1nc(C(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000571297292 1038125738 /nfs/dbraw/zinc/12/57/38/1038125738.db2.gz IKCUOCRCHOAVPL-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cnn[n-]1 ZINC001189352347 1038141840 /nfs/dbraw/zinc/14/18/40/1038141840.db2.gz ZUOSEXOIKBMQFZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1c[n-]nn1 ZINC001189352347 1038141845 /nfs/dbraw/zinc/14/18/45/1038141845.db2.gz ZUOSEXOIKBMQFZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cn[n-]n1 ZINC001189352347 1038141848 /nfs/dbraw/zinc/14/18/48/1038141848.db2.gz ZUOSEXOIKBMQFZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM CC(=O)Oc1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1C ZINC001189409367 1038149651 /nfs/dbraw/zinc/14/96/51/1038149651.db2.gz IDFVKEAJUYXXSN-UHFFFAOYSA-N -1 3 319.744 3.532 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000127878701 1038219307 /nfs/dbraw/zinc/21/93/07/1038219307.db2.gz OHZZZPVKFDYZCZ-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1c([O-])ccc2c(CN3C[C@H](C)c4ccccc43)cc(=O)oc12 ZINC000917116145 1038224596 /nfs/dbraw/zinc/22/45/96/1038224596.db2.gz LLHCPXKDXNKFNZ-LBPRGKRZSA-N -1 3 321.376 3.931 20 0 DHADHM Cc1ccc2oc(C(=O)[N-]c3nnc(C(F)F)s3)cc2c1 ZINC000067552048 1038231217 /nfs/dbraw/zinc/23/12/17/1038231217.db2.gz YDWSVWHXDUKJLS-UHFFFAOYSA-N -1 3 309.297 3.783 20 0 DHADHM O=C(NCCCCC1CCCCC1)c1ccc(=O)[n-]c1Cl ZINC001190925981 1038402733 /nfs/dbraw/zinc/40/27/33/1038402733.db2.gz GUPXOPQEPVHPIH-UHFFFAOYSA-N -1 3 310.825 3.921 20 0 DHADHM COc1c(C)cc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1C ZINC001191071676 1038430079 /nfs/dbraw/zinc/43/00/79/1038430079.db2.gz XEIZLTHQVKIIHV-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM O=c1ccnc(C=Cc2cccc(OCc3ccc(F)cc3)c2)[n-]1 ZINC000157186381 1038652637 /nfs/dbraw/zinc/65/26/37/1038652637.db2.gz KMHVISWMPCLBRG-RMKNXTFCSA-N -1 3 322.339 3.658 20 0 DHADHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC001192798631 1038700039 /nfs/dbraw/zinc/70/00/39/1038700039.db2.gz NAONQTMVSPBVBD-ZDUSSCGKSA-N -1 3 322.257 3.706 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)c1Cl ZINC001192838249 1038707062 /nfs/dbraw/zinc/70/70/62/1038707062.db2.gz JSZZQZJYBRMQPC-ZDUSSCGKSA-N -1 3 322.257 3.769 20 0 DHADHM COc1cccc([C@H](C)NC(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001192885568 1038710864 /nfs/dbraw/zinc/71/08/64/1038710864.db2.gz DPJUPIWSAPZWCZ-JTQLQIEISA-N -1 3 320.776 3.937 20 0 DHADHM Cc1cc(C(=O)[N-]c2ccccc2SC(F)(F)F)no1 ZINC000129788699 1039535691 /nfs/dbraw/zinc/53/56/91/1039535691.db2.gz IWYOSDLNTXCUIM-UHFFFAOYSA-N -1 3 302.277 3.847 20 0 DHADHM Cc1c2cccc(F)c2oc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536626 1039922834 /nfs/dbraw/zinc/92/28/34/1039922834.db2.gz HWIOSMAFDUOVRG-UHFFFAOYSA-N -1 3 317.291 3.655 20 0 DHADHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H](C)C1 ZINC000606910197 1040032997 /nfs/dbraw/zinc/03/29/97/1040032997.db2.gz WMRGYCSQDVGLAE-UWVGGRQHSA-N -1 3 319.829 3.582 20 0 DHADHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001212176967 1040056823 /nfs/dbraw/zinc/05/68/23/1040056823.db2.gz JUMVBHSRQVZRKH-SNVBAGLBSA-N -1 3 321.895 3.896 20 0 DHADHM CC(C)(C)C1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000063427443 1040278206 /nfs/dbraw/zinc/27/82/06/1040278206.db2.gz DUXXRQXVAZYBAJ-UHFFFAOYSA-N -1 3 322.474 3.698 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc([O-])c1F ZINC000534209961 1040747664 /nfs/dbraw/zinc/74/76/64/1040747664.db2.gz LTWAYCZRXCXXAS-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CC(C)(C)Oc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)ccn1 ZINC000534327883 1040801673 /nfs/dbraw/zinc/80/16/73/1040801673.db2.gz AUMANXQNJJDFHG-UHFFFAOYSA-N -1 3 313.332 3.714 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000456572808 1040868248 /nfs/dbraw/zinc/86/82/48/1040868248.db2.gz SLOXVEVZVMUXIA-QGZVFWFLSA-N -1 3 311.381 3.915 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(CC(F)(F)F)C2)c([O-])c1 ZINC000457123381 1041020588 /nfs/dbraw/zinc/02/05/88/1041020588.db2.gz RPHUMZYRZXAGSD-UHFFFAOYSA-N -1 3 315.335 3.930 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](C1CC1)C1CCC1 ZINC000457231436 1041061109 /nfs/dbraw/zinc/06/11/09/1041061109.db2.gz DSKQDUGZCUAILL-SFHVURJKSA-N -1 3 305.393 3.549 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000092429798 185317908 /nfs/dbraw/zinc/31/79/08/185317908.db2.gz ZXTXQKSCWRYKSA-INIZCTEOSA-N -1 3 323.392 3.578 20 0 DHADHM Cc1cc(F)c(CN[C@H](C)CCCCC(=O)[O-])c(Cl)c1 ZINC000417544114 334961166 /nfs/dbraw/zinc/96/11/66/334961166.db2.gz GZXTYRNDEQRLAU-LLVKDONJSA-N -1 3 301.789 3.911 20 0 DHADHM CC(C)c1ncc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417566279 334990905 /nfs/dbraw/zinc/99/09/05/334990905.db2.gz QYSLVCFGYCCGRU-IUODEOHRSA-N -1 3 318.442 3.818 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccccc1Cl ZINC000006316464 181329024 /nfs/dbraw/zinc/32/90/24/181329024.db2.gz LWOXVLXXTATKRB-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1ncc(C(F)(F)F)s1 ZINC000417595187 335001490 /nfs/dbraw/zinc/00/14/90/335001490.db2.gz XNSTWOWIHGDXLJ-MRVPVSSYSA-N -1 3 324.368 3.531 20 0 DHADHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000417604691 335004134 /nfs/dbraw/zinc/00/41/34/335004134.db2.gz VCZIALAVNPHYNM-INIZCTEOSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)=CCSC[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000417624649 335015499 /nfs/dbraw/zinc/01/54/99/335015499.db2.gz KYTYYWHFSBWLLH-AWEZNQCLSA-N -1 3 313.850 3.582 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417625935 335015685 /nfs/dbraw/zinc/01/56/85/335015685.db2.gz QNXMQJMMEIIAEB-VIFPVBQESA-N -1 3 308.180 3.866 20 0 DHADHM CCCc1csc(CN[C@H]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000417626095 335015774 /nfs/dbraw/zinc/01/57/74/335015774.db2.gz MQUGBXXVSFVSDE-JSGCOSHPSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@@H](CC(C)(C)NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000417629102 335018267 /nfs/dbraw/zinc/01/82/67/335018267.db2.gz AUPKWRKUYWLWEW-JTQLQIEISA-N -1 3 324.471 3.851 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000417631130 335019098 /nfs/dbraw/zinc/01/90/98/335019098.db2.gz VBBKDWUOTOVZPK-LLVKDONJSA-N -1 3 319.879 3.644 20 0 DHADHM C[C@@H]([C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-])C1CC1 ZINC000417639189 335022666 /nfs/dbraw/zinc/02/26/66/335022666.db2.gz LNOMLRRZGWFIJA-LHLIQPBNSA-N -1 3 308.230 3.644 20 0 DHADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000273566615 130138891 /nfs/dbraw/zinc/13/88/91/130138891.db2.gz YJMLZWRBIDHFQP-PWSUYJOCSA-N -1 3 309.793 3.626 20 0 DHADHM Cc1nc(C2CC2)oc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274420007 130233681 /nfs/dbraw/zinc/23/36/81/130233681.db2.gz XXANLNIGTYMQFB-SNVBAGLBSA-N -1 3 312.369 3.720 20 0 DHADHM Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1F ZINC000277489099 130616125 /nfs/dbraw/zinc/61/61/25/130616125.db2.gz XAFJBWKIAJHWHR-CXAGYDPISA-N -1 3 301.361 3.686 20 0 DHADHM COc1ccc(F)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000286136196 131221491 /nfs/dbraw/zinc/22/14/91/131221491.db2.gz QXIWKWNUMZPKLT-LLVKDONJSA-N -1 3 315.344 3.694 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC=C(c3ccncc3)C2)c([O-])c1 ZINC000286164190 131223069 /nfs/dbraw/zinc/22/30/69/131223069.db2.gz HGFSZDFFHFKXFH-UHFFFAOYSA-N -1 3 322.408 3.840 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc2ccc(F)cc2c1 ZINC000340242696 131251136 /nfs/dbraw/zinc/25/11/36/131251136.db2.gz DSIAUEULESQOLL-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297104241 132000227 /nfs/dbraw/zinc/00/02/27/132000227.db2.gz GBZHUJYNIMEPRB-WBVHZDCISA-N -1 3 311.381 3.506 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1cn(C)nc1C1CCCCC1 ZINC000297311259 132009752 /nfs/dbraw/zinc/00/97/52/132009752.db2.gz HEPLEMOPQOFCDK-GFCCVEGCSA-N -1 3 308.426 3.567 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000297311259 132009754 /nfs/dbraw/zinc/00/97/54/132009754.db2.gz HEPLEMOPQOFCDK-GFCCVEGCSA-N -1 3 308.426 3.567 20 0 DHADHM CCCC(=O)Nc1ccc(Cl)c(NC([O-])=NOC(C)C)c1 ZINC000297615137 132025754 /nfs/dbraw/zinc/02/57/54/132025754.db2.gz BFAIAAHDYQXVPJ-UHFFFAOYSA-N -1 3 313.785 3.540 20 0 DHADHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[N-]OC(C)C)c1 ZINC000297615137 132025755 /nfs/dbraw/zinc/02/57/55/132025755.db2.gz BFAIAAHDYQXVPJ-UHFFFAOYSA-N -1 3 313.785 3.540 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000297794362 132034774 /nfs/dbraw/zinc/03/47/74/132034774.db2.gz JODNXJYMOYWYLK-NSHDSACASA-N -1 3 322.411 3.511 20 0 DHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC([O-])=NOC(C)C ZINC000297927094 132040335 /nfs/dbraw/zinc/04/03/35/132040335.db2.gz ZRQIFTFEBRITSN-UHFFFAOYSA-N -1 3 323.393 3.804 20 0 DHADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[N-]OC(C)C ZINC000297927094 132040337 /nfs/dbraw/zinc/04/03/37/132040337.db2.gz ZRQIFTFEBRITSN-UHFFFAOYSA-N -1 3 323.393 3.804 20 0 DHADHM CCOc1cc(CN(C)Cc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000298023424 132045018 /nfs/dbraw/zinc/04/50/18/132045018.db2.gz DXCSPRATELUGJZ-UHFFFAOYSA-N -1 3 321.804 3.782 20 0 DHADHM CCOc1cc(C(=O)[N-]c2cc(C(=O)CC)ccc2Cl)on1 ZINC000298592152 132069320 /nfs/dbraw/zinc/06/93/20/132069320.db2.gz IXTJWTAGERQECS-UHFFFAOYSA-N -1 3 322.748 3.572 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cncnc2C(C)C)s1 ZINC000298658773 132072754 /nfs/dbraw/zinc/07/27/54/132072754.db2.gz QJODCTLPSJSJCP-UHFFFAOYSA-N -1 3 319.434 3.607 20 0 DHADHM CCS[C@H]1CCCC[C@H]1NCc1nc(=O)c2sccc2[n-]1 ZINC000299407959 132103868 /nfs/dbraw/zinc/10/38/68/132103868.db2.gz SRRNJKQVVXGAAG-PWSUYJOCSA-N -1 3 323.487 3.551 20 0 DHADHM O=C([O-])C1(NCc2csc(-c3cccs3)n2)CCCCC1 ZINC000340675328 132144433 /nfs/dbraw/zinc/14/44/33/132144433.db2.gz BQNQOBWVMJJPDN-UHFFFAOYSA-N -1 3 322.455 3.749 20 0 DHADHM O=C([O-])C1(NCc2csc(-c3ccccc3)n2)CCCCC1 ZINC000340679789 132145815 /nfs/dbraw/zinc/14/58/15/132145815.db2.gz VQBAHOCIANEGOV-UHFFFAOYSA-N -1 3 316.426 3.687 20 0 DHADHM Cc1ncccc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000340692120 132159114 /nfs/dbraw/zinc/15/91/14/132159114.db2.gz SXDHJQZKYKXGBV-FQEVSTJZSA-N -1 3 324.424 3.531 20 0 DHADHM Cc1ccc(NC(=O)c2cnc(C)c(Cl)c2Cl)c([O-])c1 ZINC000153775283 335085712 /nfs/dbraw/zinc/08/57/12/335085712.db2.gz NJSYTMHNRIAHLU-UHFFFAOYSA-N -1 3 311.168 3.963 20 0 DHADHM CCc1cc([N-]C(=O)c2sc(-c3ccc(C)o3)nc2C)no1 ZINC000606885523 435343313 /nfs/dbraw/zinc/34/33/13/435343313.db2.gz HWNQPGGSHWZSBS-UHFFFAOYSA-N -1 3 317.370 3.823 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)no1 ZINC000606884978 435343340 /nfs/dbraw/zinc/34/33/40/435343340.db2.gz AQVSAEXLMXTXFC-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM CCCOc1cc(C)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448735436 332797977 /nfs/dbraw/zinc/79/79/77/332797977.db2.gz SMQGHXKYIAPDDE-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448764410 332811146 /nfs/dbraw/zinc/81/11/46/332811146.db2.gz LPVZHCUSKGDXSP-KRWDZBQOSA-N -1 3 313.372 3.746 20 0 DHADHM COc1cccc(-c2nc(Cc3ccccc3Cl)no2)c1[O-] ZINC000109037692 331504575 /nfs/dbraw/zinc/50/45/75/331504575.db2.gz LJLPIBTVPCFNSE-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(C)C)cc2)o1 ZINC000539113704 331692217 /nfs/dbraw/zinc/69/22/17/331692217.db2.gz HWMYSFKMXHDZAE-CYBMUJFWSA-N -1 3 321.442 3.621 20 0 DHADHM C[C@H](CCC[C@H](C)NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000087679105 331770967 /nfs/dbraw/zinc/77/09/67/331770967.db2.gz FIBGPRZCLULNDJ-NEPJUHHUSA-N -1 3 312.479 3.810 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(OC(F)F)c1 ZINC000557182195 331774740 /nfs/dbraw/zinc/77/47/40/331774740.db2.gz KTAUYXSQYVAZCJ-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(-c3ncco3)c2C)ccc1[O-] ZINC000557358340 331784797 /nfs/dbraw/zinc/78/47/97/331784797.db2.gz KDEHODQYSQZAAQ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1occc1Br ZINC000176418941 332939599 /nfs/dbraw/zinc/93/95/99/332939599.db2.gz RDTZKACZLBDUQR-UHFFFAOYSA-N -1 3 323.171 3.904 20 0 DHADHM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000426772865 331991025 /nfs/dbraw/zinc/99/10/25/331991025.db2.gz LXUVYEGQQXIMLK-SFHVURJKSA-N -1 3 313.397 3.637 20 0 DHADHM [O-]c1ccc(Br)c(CN[C@@H]2CCCc3occc32)c1 ZINC000126441957 331995629 /nfs/dbraw/zinc/99/56/29/331995629.db2.gz XNFJDSDAZXYGTM-CQSZACIVSA-N -1 3 322.202 3.915 20 0 DHADHM Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)c([O-])c1 ZINC000410066672 332085191 /nfs/dbraw/zinc/08/51/91/332085191.db2.gz BVURDHQCNRTZHD-MRXNPFEDSA-N -1 3 318.804 3.595 20 0 DHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1ccc(Cl)cc1F ZINC000426776913 332123357 /nfs/dbraw/zinc/12/33/57/332123357.db2.gz IURGFNAKFKLDQD-INIZCTEOSA-N -1 3 321.779 3.655 20 0 DHADHM CC(C)(C)C[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000426777455 332135698 /nfs/dbraw/zinc/13/56/98/332135698.db2.gz NMEJDTIDIHCGSA-GFCCVEGCSA-N -1 3 321.314 3.824 20 0 DHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2)c1 ZINC000426787489 332153648 /nfs/dbraw/zinc/15/36/48/332153648.db2.gz FCUBBUFFMSRZGC-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000426792626 332154290 /nfs/dbraw/zinc/15/42/90/332154290.db2.gz NGZFUKGGNKIVKA-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM O=C([O-])[C@H](NCc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000426795087 332154512 /nfs/dbraw/zinc/15/45/12/332154512.db2.gz WRWCXCLNERYBKK-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM COc1ccccc1[C@@H](NCc1cc(C)c(C)cc1C)C(=O)[O-] ZINC000426822533 332157964 /nfs/dbraw/zinc/15/79/64/332157964.db2.gz CSZNTYITSDYTOA-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM CC(C)(C)c1csc2ncnc(NCc3ncccc3[O-])c12 ZINC000427172451 332175385 /nfs/dbraw/zinc/17/53/85/332175385.db2.gz WVLVGHKCBHWKBG-UHFFFAOYSA-N -1 3 314.414 3.702 20 0 DHADHM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000559936747 332295217 /nfs/dbraw/zinc/29/52/17/332295217.db2.gz GUXATSGPCMEWMS-SNVBAGLBSA-N -1 3 319.763 3.944 20 0 DHADHM CC(C)[C@@H](CNCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000559980120 332298991 /nfs/dbraw/zinc/29/89/91/332298991.db2.gz BVFNMZSVGJZEIE-QGZVFWFLSA-N -1 3 315.388 3.939 20 0 DHADHM COc1cccc(C2(CNCc3c(F)ccc([O-])c3F)CC2)c1 ZINC000560533293 332353693 /nfs/dbraw/zinc/35/36/93/332353693.db2.gz BLDMYLSINKXQIM-UHFFFAOYSA-N -1 3 319.351 3.500 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccccc2F)c1[O-] ZINC000560551110 332358067 /nfs/dbraw/zinc/35/80/67/332358067.db2.gz RTVCNARTOLZADZ-NSHDSACASA-N -1 3 315.344 3.551 20 0 DHADHM COc1ccccc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000566359406 332376852 /nfs/dbraw/zinc/37/68/52/332376852.db2.gz VIOLQZRIIDZOCY-CQSZACIVSA-N -1 3 317.410 3.792 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(OC(F)F)cc1 ZINC000560822455 332388757 /nfs/dbraw/zinc/38/87/57/332388757.db2.gz QNVMHDYQCQGROR-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)Nc1c([O-])cccc1Cl ZINC000560822992 332388780 /nfs/dbraw/zinc/38/87/80/332388780.db2.gz JYJIZFLFJODWID-UHFFFAOYSA-N -1 3 306.749 3.547 20 0 DHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000565053211 332504424 /nfs/dbraw/zinc/50/44/24/332504424.db2.gz FVCVJFLDWKKDHF-OAHLLOKOSA-N -1 3 321.446 3.501 20 0 DHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448964121 332535353 /nfs/dbraw/zinc/53/53/53/332535353.db2.gz DGHKJNZGBOBTPY-IBGZPJMESA-N -1 3 315.388 3.930 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1sccc1Br ZINC000132968615 332580088 /nfs/dbraw/zinc/58/00/88/332580088.db2.gz RJRWADPYTAQQOS-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448752866 332658193 /nfs/dbraw/zinc/65/81/93/332658193.db2.gz XYNWAUOTIVOMSM-QGZVFWFLSA-N -1 3 313.372 3.746 20 0 DHADHM CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccc(F)cc1 ZINC000569950607 332696135 /nfs/dbraw/zinc/69/61/35/332696135.db2.gz VPUBTYSJZXWIGA-CQSZACIVSA-N -1 3 315.344 3.866 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000103341510 332968734 /nfs/dbraw/zinc/96/87/34/332968734.db2.gz HWOUDEJHGZJCLH-NSHDSACASA-N -1 3 310.319 3.965 20 0 DHADHM COc1ccccc1CCN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000580201966 333003563 /nfs/dbraw/zinc/00/35/63/333003563.db2.gz LPCRVVOUTKGUOI-CYBMUJFWSA-N -1 3 317.385 3.530 20 0 DHADHM CN(Cc1csc2ccccc12)C(=O)c1ccc(O)cc1[O-] ZINC000179431508 333025153 /nfs/dbraw/zinc/02/51/53/333025153.db2.gz JDAPJLJQXWMDTH-UHFFFAOYSA-N -1 3 313.378 3.585 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCc3c(OC)cccc32)c1 ZINC000497503046 333256906 /nfs/dbraw/zinc/25/69/06/333256906.db2.gz JUIYZOXTMNJNNO-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@]12CCCc1ccccc12 ZINC000531373983 333346859 /nfs/dbraw/zinc/34/68/59/333346859.db2.gz RVYGQZVFZBQLDA-BEFAXECRSA-N -1 3 311.356 3.764 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531372804 333346941 /nfs/dbraw/zinc/34/69/41/333346941.db2.gz JNIKDXRZDROPAU-FFSVYQOJSA-N -1 3 309.381 3.844 20 0 DHADHM C[C@H]1CCN(C(=O)c2scnc2C2CC2)c2c([O-])cccc21 ZINC000186297628 333372289 /nfs/dbraw/zinc/37/22/89/333372289.db2.gz KRGGQOFZIZMEFS-JTQLQIEISA-N -1 3 314.410 3.880 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)co1 ZINC000186624428 333375573 /nfs/dbraw/zinc/37/55/73/333375573.db2.gz SMPICGCNYZDSPE-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM Cc1ccc(C)c(OCCCCC(=O)Nc2ncccc2[O-])c1 ZINC000063091015 333415393 /nfs/dbraw/zinc/41/53/93/333415393.db2.gz XRBWNTYZTRINHF-UHFFFAOYSA-N -1 3 314.385 3.592 20 0 DHADHM Cc1ccccc1NCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533972055 333552368 /nfs/dbraw/zinc/55/23/68/333552368.db2.gz VORJLHNCXGAICO-UHFFFAOYSA-N -1 3 304.777 3.795 20 0 DHADHM CCc1cccc(C(=O)N(CC)Cc2ccc(OC)cc2)c1[O-] ZINC000534266213 333569567 /nfs/dbraw/zinc/56/95/67/333569567.db2.gz VSEVOWDYQWQBMJ-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)sc2C)on1 ZINC000411103906 333631121 /nfs/dbraw/zinc/63/11/21/333631121.db2.gz RFQKSCSVIZYILR-QMMMGPOBSA-N -1 3 322.386 3.597 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000412460420 333758653 /nfs/dbraw/zinc/75/86/53/333758653.db2.gz FSDRVHGQJOIDOR-CVEARBPZSA-N -1 3 319.420 3.797 20 0 DHADHM COCc1ncc(C(=O)[N-]c2ccc(C)cc2SC)s1 ZINC000413904388 333880780 /nfs/dbraw/zinc/88/07/80/333880780.db2.gz OHPWFWMSUVNBRG-UHFFFAOYSA-N -1 3 308.428 3.572 20 0 DHADHM CC(C)C(C)(C)[S@@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414248955 333920377 /nfs/dbraw/zinc/92/03/77/333920377.db2.gz VVCIRVCJJWNIOA-QFIPXVFZSA-N -1 3 318.442 3.533 20 0 DHADHM Cc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1[O-] ZINC000436570525 333975197 /nfs/dbraw/zinc/97/51/97/333975197.db2.gz ACQDPRNNSMDVAW-UHFFFAOYSA-N -1 3 305.324 3.608 20 0 DHADHM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436624313 333981767 /nfs/dbraw/zinc/98/17/67/333981767.db2.gz JIIXDOKNKDKCHI-LBPRGKRZSA-N -1 3 317.360 3.648 20 0 DHADHM CCc1cc(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)ccc1[O-] ZINC000436710517 333989710 /nfs/dbraw/zinc/98/97/10/333989710.db2.gz VJBVYXPLKOAZRN-RNCFNFMXSA-N -1 3 303.324 3.661 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(F)cc2F)c([O-])c1 ZINC000436798104 334000120 /nfs/dbraw/zinc/00/01/20/334000120.db2.gz REULBWIYUJJQJC-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CC(C)(C)OC1CC(Cc2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436867797 334012587 /nfs/dbraw/zinc/01/25/87/334012587.db2.gz DOXFTUCZPKVUFH-UHFFFAOYSA-N -1 3 302.374 3.578 20 0 DHADHM CCSc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436899615 334015789 /nfs/dbraw/zinc/01/57/89/334015789.db2.gz DZJRCQRQYPGSIG-UHFFFAOYSA-N -1 3 303.383 3.765 20 0 DHADHM CN(CCCc1ccsc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000343544155 335171110 /nfs/dbraw/zinc/17/11/10/335171110.db2.gz IYMNEQUQOKZYPB-UHFFFAOYSA-N -1 3 319.455 3.523 20 0 DHADHM COc1ccc(-c2ccccc2C)cc1CN[C@@H](C)CC(=O)[O-] ZINC000414635093 334049216 /nfs/dbraw/zinc/04/92/16/334049216.db2.gz FUKAMVNEKBXMMO-AWEZNQCLSA-N -1 3 313.397 3.623 20 0 DHADHM CN(CCCC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000414637436 334049567 /nfs/dbraw/zinc/04/95/67/334049567.db2.gz MKZTYESUSIPEMP-UHFFFAOYSA-N -1 3 309.312 3.521 20 0 DHADHM C[C@@H](CN(C)Cc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000414661817 334060006 /nfs/dbraw/zinc/06/00/06/334060006.db2.gz YBRVQIBUXHCDGC-ZDUSSCGKSA-N -1 3 301.361 3.645 20 0 DHADHM O=C([N-]OCC1CC1)Nc1cccc(CCC(F)(F)F)c1 ZINC000292749618 334191516 /nfs/dbraw/zinc/19/15/16/334191516.db2.gz NTQNOHIXTPHBAL-UHFFFAOYSA-N -1 3 302.296 3.645 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCC2 ZINC000293743354 334201749 /nfs/dbraw/zinc/20/17/49/334201749.db2.gz LOEUQSOFXFTWLZ-QGZVFWFLSA-N -1 3 310.397 3.591 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000110482641 334275315 /nfs/dbraw/zinc/27/53/15/334275315.db2.gz DCPOHTUKXDJLKX-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cccc(Cl)c1Cl ZINC000049282552 334324538 /nfs/dbraw/zinc/32/45/38/334324538.db2.gz NBYRCZOJLBTXKL-JTQLQIEISA-N -1 3 320.241 3.628 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2CCC2CCCC2)ccc1[O-] ZINC000443073829 338443435 /nfs/dbraw/zinc/44/34/35/338443435.db2.gz PYXQZAMJGIKIRN-MRXNPFEDSA-N -1 3 317.429 3.976 20 0 DHADHM O=C(CCc1ccnc2ccccc12)Nc1cccc([O-])c1F ZINC000534945851 334349936 /nfs/dbraw/zinc/34/99/36/334349936.db2.gz RCSAIXCNELLTIQ-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2c(F)cccc2Cl)no1 ZINC000111688890 334353823 /nfs/dbraw/zinc/35/38/23/334353823.db2.gz NVIZAQYMZKNDRV-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1 ZINC000532033268 334381253 /nfs/dbraw/zinc/38/12/53/334381253.db2.gz YTNKHCMQXOLQJD-FQEVSTJZSA-N -1 3 309.409 3.758 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000340735855 334383856 /nfs/dbraw/zinc/38/38/56/334383856.db2.gz DPQXONKDNVCCCE-VHSXEESVSA-N -1 3 323.179 3.836 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1csc(C(F)(F)F)n1 ZINC000341593163 334459989 /nfs/dbraw/zinc/45/99/89/334459989.db2.gz ZPSPQPVDNWVSJE-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2O1 ZINC000443564535 338454853 /nfs/dbraw/zinc/45/48/53/338454853.db2.gz BFKALSDZMVBOEU-SFHVURJKSA-N -1 3 313.353 3.850 20 0 DHADHM O=C([N-]c1scnc1C1CC1)c1cc(-c2ccccc2)no1 ZINC000342870653 334585420 /nfs/dbraw/zinc/58/54/20/334585420.db2.gz OGXIBQICBNDKIH-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC000416318294 334662679 /nfs/dbraw/zinc/66/26/79/334662679.db2.gz XMLXERGIWBMHJK-LSDHHAIUSA-N -1 3 305.418 3.688 20 0 DHADHM Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1OC(F)F ZINC000417016783 334688857 /nfs/dbraw/zinc/68/88/57/334688857.db2.gz DGVHFLOJJCEIGW-UHFFFAOYSA-N -1 3 321.327 3.582 20 0 DHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785473 334815239 /nfs/dbraw/zinc/81/52/39/334815239.db2.gz UDNJMXWFNJEDSA-MWLCHTKSSA-N -1 3 317.307 3.555 20 0 DHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785474 334815246 /nfs/dbraw/zinc/81/52/46/334815246.db2.gz UDNJMXWFNJEDSA-ONGXEEELSA-N -1 3 317.307 3.555 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000444470040 338473868 /nfs/dbraw/zinc/47/38/68/338473868.db2.gz VEQYWWBGIAZTRW-CXAGYDPISA-N -1 3 323.392 3.542 20 0 DHADHM O=C([N-]c1nc2ccsc2s1)c1cc(-c2ccco2)on1 ZINC000344421303 335247266 /nfs/dbraw/zinc/24/72/66/335247266.db2.gz LISQEIZOCOZQJH-UHFFFAOYSA-N -1 3 317.351 3.858 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(F)c1F ZINC000344632131 335265518 /nfs/dbraw/zinc/26/55/18/335265518.db2.gz JTECTUMMOOYNCG-MRVPVSSYSA-N -1 3 311.715 3.815 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2sccc2C1 ZINC000344774997 335276418 /nfs/dbraw/zinc/27/64/18/335276418.db2.gz KPIIYBXXGJIGTF-UHFFFAOYSA-N -1 3 319.401 3.500 20 0 DHADHM C[C@H]1CCN(C(=O)CCCC(F)(F)F)c2c([O-])cccc21 ZINC000345123611 335303362 /nfs/dbraw/zinc/30/33/62/335303362.db2.gz FHNBIAHZDLCRKC-JTQLQIEISA-N -1 3 301.308 3.965 20 0 DHADHM CCO[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)C(C)C ZINC000345129215 335304013 /nfs/dbraw/zinc/30/40/13/335304013.db2.gz IZELBJSGTDITRD-CJNGLKHVSA-N -1 3 305.418 3.684 20 0 DHADHM Cc1cc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c(C)o1 ZINC000345724954 335346147 /nfs/dbraw/zinc/34/61/47/335346147.db2.gz XCHIYGOLYDLOLF-LBPRGKRZSA-N -1 3 319.376 3.941 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)cc3cccnc32)n1 ZINC000345933073 335361922 /nfs/dbraw/zinc/36/19/22/335361922.db2.gz RTGPJWGWBUKKAC-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CSCc2ccccc2)n1 ZINC000345945292 335362941 /nfs/dbraw/zinc/36/29/41/335362941.db2.gz SYKNZSVYMUGUFU-LBPRGKRZSA-N -1 3 316.426 3.604 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CSc2ccc(F)cc2)n1 ZINC000345946980 335363094 /nfs/dbraw/zinc/36/30/94/335363094.db2.gz VIPHAKSJEQKMOA-SNVBAGLBSA-N -1 3 320.389 3.602 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000345922725 335365632 /nfs/dbraw/zinc/36/56/32/335365632.db2.gz FZAVMAPKRIVFDN-HNNXBMFYSA-N -1 3 302.349 3.613 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(-c4cccc(F)c4)no3)n[n-]2)o1 ZINC000346147451 335381974 /nfs/dbraw/zinc/38/19/74/335381974.db2.gz WPUBPPJNVDKUIC-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(-c4cccc(F)c4)no3)[n-]n2)o1 ZINC000346147451 335381975 /nfs/dbraw/zinc/38/19/75/335381975.db2.gz WPUBPPJNVDKUIC-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM CCCc1nc(C)c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000346949202 335452412 /nfs/dbraw/zinc/45/24/12/335452412.db2.gz UGGRBXFPTFEOQN-LLVKDONJSA-N -1 3 314.385 3.795 20 0 DHADHM O=C(c1csc(=O)[n-]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000348898752 335617067 /nfs/dbraw/zinc/61/70/67/335617067.db2.gz FXCQYSKWNOVHKB-HNNXBMFYSA-N -1 3 314.410 3.531 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccnc(C2CC2)n1 ZINC000349565971 335681227 /nfs/dbraw/zinc/68/12/27/335681227.db2.gz QLISBYYSJUUTKH-UHFFFAOYSA-N -1 3 320.352 3.570 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(SCCCO)cc2)c1 ZINC000349570159 335681871 /nfs/dbraw/zinc/68/18/71/335681871.db2.gz RTEIPJWZJCAJPK-UHFFFAOYSA-N -1 3 307.390 3.618 20 0 DHADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1[O-] ZINC000349726302 335694403 /nfs/dbraw/zinc/69/44/03/335694403.db2.gz YQFYPWARBVUFAC-UHFFFAOYSA-N -1 3 323.348 3.831 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000094156084 335721525 /nfs/dbraw/zinc/72/15/25/335721525.db2.gz QLCTXFANZOISRI-SFHVURJKSA-N -1 3 324.424 3.744 20 0 DHADHM Cc1nnc(-c2ccccc2NCc2c(F)ccc([O-])c2F)o1 ZINC000350143366 335730720 /nfs/dbraw/zinc/73/07/20/335730720.db2.gz NKNPSTLRROBRPS-UHFFFAOYSA-N -1 3 317.295 3.641 20 0 DHADHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1[O-] ZINC000113414215 335737130 /nfs/dbraw/zinc/73/71/30/335737130.db2.gz ZVVPTXSRRIXFNR-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2o1 ZINC000350699110 335773209 /nfs/dbraw/zinc/77/32/09/335773209.db2.gz FRKQXILBCJXNNQ-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM Cc1ccc2nc(C(F)(F)c3ccc(F)cc3)[n-]c(=O)c2c1 ZINC000519445295 335851019 /nfs/dbraw/zinc/85/10/19/335851019.db2.gz OGBWPJBVYOQBOI-UHFFFAOYSA-N -1 3 304.271 3.923 20 0 DHADHM CC(C)c1cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c([O-])c(C(C)C)c1 ZINC000536687911 335865323 /nfs/dbraw/zinc/86/53/23/335865323.db2.gz MBANOGJVSGQZNU-UONOGXRCSA-N -1 3 321.461 3.776 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000532278330 335929867 /nfs/dbraw/zinc/92/98/67/335929867.db2.gz JOCRPPIXIIAEBK-QMTHXVAHSA-N -1 3 319.788 3.621 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000583636104 336009653 /nfs/dbraw/zinc/00/96/53/336009653.db2.gz ITXOTNYWADAEQU-TXEJJXNPSA-N -1 3 316.426 3.881 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000192470657 336035049 /nfs/dbraw/zinc/03/50/49/336035049.db2.gz TUUIPILSMIAKSQ-GOSISDBHSA-N -1 3 323.392 3.780 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000192470647 336035273 /nfs/dbraw/zinc/03/52/73/336035273.db2.gz TUUIPILSMIAKSQ-SFHVURJKSA-N -1 3 323.392 3.780 20 0 DHADHM COc1ccc(OC(F)F)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000192511045 336040396 /nfs/dbraw/zinc/04/03/96/336040396.db2.gz VVGHOXYPWHAZCD-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CC(C)N(CCc1nccs1)Cc1cccc([O-])c1Cl ZINC000351683973 336058048 /nfs/dbraw/zinc/05/80/48/336058048.db2.gz CSHRRXNPXYBSQY-UHFFFAOYSA-N -1 3 310.850 3.955 20 0 DHADHM Cc1ccc2c(CSc3cccc(C(N)=O)c3)ccc([O-])c2n1 ZINC000351734441 336063392 /nfs/dbraw/zinc/06/33/92/336063392.db2.gz GIUBVNPXTPWXMC-UHFFFAOYSA-N -1 3 324.405 3.640 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3ccc(F)c(F)c3C2)c1F ZINC000351815171 336070030 /nfs/dbraw/zinc/07/00/30/336070030.db2.gz VCSWCWRZFHSMQX-UHFFFAOYSA-N -1 3 311.278 3.507 20 0 DHADHM c1ccc(-c2nc(SCc3ccc4c(c3)CCC4)n[n-]2)nc1 ZINC000351828216 336070863 /nfs/dbraw/zinc/07/08/63/336070863.db2.gz VWJIXTWBHVIBKK-UHFFFAOYSA-N -1 3 308.410 3.648 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000332113796 336159140 /nfs/dbraw/zinc/15/91/40/336159140.db2.gz ANJFGLMCOFAPGO-QGZVFWFLSA-N -1 3 311.381 3.632 20 0 DHADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1Cl ZINC000351925783 336179289 /nfs/dbraw/zinc/17/92/89/336179289.db2.gz GQYDSEXTWFFXHN-AWEZNQCLSA-N -1 3 313.806 3.609 20 0 DHADHM Cc1ccc([O-])c(CN2CC=C(c3c(F)cccc3F)CC2)n1 ZINC000351982453 336185883 /nfs/dbraw/zinc/18/58/83/336185883.db2.gz OPMSPEUVJMOXGV-UHFFFAOYSA-N -1 3 316.351 3.663 20 0 DHADHM CN(CCCOc1ccc(F)cc1)Cc1cc(O)cc(F)c1 ZINC000351997232 336187219 /nfs/dbraw/zinc/18/72/19/336187219.db2.gz SCTZNIRCGXAAKV-UHFFFAOYSA-N -1 3 307.340 3.571 20 0 DHADHM CN(CCCOc1ccc(F)cc1)Cc1cc([O-])cc(F)c1 ZINC000351997232 336187220 /nfs/dbraw/zinc/18/72/20/336187220.db2.gz SCTZNIRCGXAAKV-UHFFFAOYSA-N -1 3 307.340 3.571 20 0 DHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000352141668 336196427 /nfs/dbraw/zinc/19/64/27/336196427.db2.gz DVLRDSMDRATZCG-QMMMGPOBSA-N -1 3 323.361 3.521 20 0 DHADHM CC(C)c1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000352174561 336199053 /nfs/dbraw/zinc/19/90/53/336199053.db2.gz BLAFGFQVCBBLEW-UHFFFAOYSA-N -1 3 320.396 3.525 20 0 DHADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c1 ZINC000333633990 336207559 /nfs/dbraw/zinc/20/75/59/336207559.db2.gz WEIPHAYXGAIOLI-BXUZGUMPSA-N -1 3 302.374 3.669 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c([O-])c1C ZINC000333651946 336207735 /nfs/dbraw/zinc/20/77/35/336207735.db2.gz ZDXLJOLWLAXRTO-UKRRQHHQSA-N -1 3 316.401 3.978 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc3ccccc3n2)c1F ZINC000352261556 336208311 /nfs/dbraw/zinc/20/83/11/336208311.db2.gz UXSMQIGLOSXJEN-UHFFFAOYSA-N -1 3 300.308 3.508 20 0 DHADHM Cc1c([N-]C(=O)[C@@H]2CCC(C)(C)O2)onc1C1CCCCC1 ZINC000333840381 336210777 /nfs/dbraw/zinc/21/07/77/336210777.db2.gz NJCWPRITWNBFHQ-ZDUSSCGKSA-N -1 3 306.406 3.927 20 0 DHADHM CC(C)c1scnc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000352307900 336211282 /nfs/dbraw/zinc/21/12/82/336211282.db2.gz WHVCWXIRJNVUFQ-UHFFFAOYSA-N -1 3 320.399 3.630 20 0 DHADHM [O-]c1ccc(F)c(CNCc2nccc3ccccc32)c1F ZINC000352394326 336216051 /nfs/dbraw/zinc/21/60/51/336216051.db2.gz MMQYXVLJELEGLP-UHFFFAOYSA-N -1 3 300.308 3.508 20 0 DHADHM CCc1ccc2occ(C(=O)Nc3nnc(-c4ccco4)[n-]3)c2c1 ZINC000352435561 336218487 /nfs/dbraw/zinc/21/84/87/336218487.db2.gz QDUCNEUFMHSCDC-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM CCc1ccc2occ(C(=O)Nc3nc(-c4ccco4)n[n-]3)c2c1 ZINC000352435561 336218488 /nfs/dbraw/zinc/21/84/88/336218488.db2.gz QDUCNEUFMHSCDC-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM CCc1ccc2occ(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2c1 ZINC000352435561 336218489 /nfs/dbraw/zinc/21/84/89/336218489.db2.gz QDUCNEUFMHSCDC-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cccc2[n-]nnc21 ZINC000526124231 336220749 /nfs/dbraw/zinc/22/07/49/336220749.db2.gz RORCBDMRWXVDOG-UHFFFAOYSA-N -1 3 302.422 3.781 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cccc2nn[n-]c21 ZINC000526124231 336220750 /nfs/dbraw/zinc/22/07/50/336220750.db2.gz RORCBDMRWXVDOG-UHFFFAOYSA-N -1 3 302.422 3.781 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cccc2n[n-]nc21 ZINC000526124231 336220751 /nfs/dbraw/zinc/22/07/51/336220751.db2.gz RORCBDMRWXVDOG-UHFFFAOYSA-N -1 3 302.422 3.781 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352804995 336241529 /nfs/dbraw/zinc/24/15/29/336241529.db2.gz XLIFLQZYOUYSRD-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000532881399 336284548 /nfs/dbraw/zinc/28/45/48/336284548.db2.gz OYWIBMKOEINDDO-GFCCVEGCSA-N -1 3 318.804 3.575 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c2cc(F)ccc21 ZINC000192986643 336286560 /nfs/dbraw/zinc/28/65/60/336286560.db2.gz DBBDQVOTJYTUAA-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CCC(CC)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301425445 336305920 /nfs/dbraw/zinc/30/59/20/336305920.db2.gz TXURMOKENLGAKC-UHFFFAOYSA-N -1 3 314.414 3.802 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(C)C)CC3)nc2)n1 ZINC000301568197 336315562 /nfs/dbraw/zinc/31/55/62/336315562.db2.gz MWQJVBFYSLDHLU-UHFFFAOYSA-N -1 3 312.417 3.655 20 0 DHADHM Cc1ccc(-c2noc([N-]Cc3ccn(C4CCCC4)n3)n2)cc1 ZINC000302071296 336346828 /nfs/dbraw/zinc/34/68/28/336346828.db2.gz ULSUWTIQCUUBFY-UHFFFAOYSA-N -1 3 323.400 3.969 20 0 DHADHM C[C@H](Nc1nc2nncc-2c(O)[n-]1)c1ccc(Cl)cc1Cl ZINC000302800217 336369698 /nfs/dbraw/zinc/36/96/98/336369698.db2.gz BYSLOMRIRCLFAD-LURJTMIESA-N -1 3 324.171 3.538 20 0 DHADHM CC(C)(C)OCCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000352932884 336378226 /nfs/dbraw/zinc/37/82/26/336378226.db2.gz VRJICANBYBAVIK-UHFFFAOYSA-N -1 3 306.435 3.554 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC(CC(F)(F)F)CC1 ZINC000353460479 336419015 /nfs/dbraw/zinc/41/90/15/336419015.db2.gz CCUYODBJEOQZEM-UHFFFAOYSA-N -1 3 321.726 3.850 20 0 DHADHM Cc1c(CNC(=O)c2ccc([O-])c(C)c2)oc2ccc(F)cc12 ZINC000354361954 336468245 /nfs/dbraw/zinc/46/82/45/336468245.db2.gz SVCITHDJUJKGNN-UHFFFAOYSA-N -1 3 313.328 3.824 20 0 DHADHM CC(C)c1cc(C(=O)N(C)Cc2ncc[nH]2)c([O-])c(C(C)C)c1 ZINC000354518803 336473432 /nfs/dbraw/zinc/47/34/32/336473432.db2.gz BQXDILPOMOTVGZ-UHFFFAOYSA-N -1 3 315.417 3.634 20 0 DHADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cncnc1 ZINC000354765276 336481476 /nfs/dbraw/zinc/48/14/76/336481476.db2.gz FIRGDBUDZWBKFD-UHFFFAOYSA-N -1 3 307.806 3.883 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000355284762 336502501 /nfs/dbraw/zinc/50/25/01/336502501.db2.gz DFQKHPLUPFTEKW-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM CCOc1ccc(CN(C(=O)c2cccc([O-])c2)C(C)C)cc1 ZINC000357320167 336580454 /nfs/dbraw/zinc/58/04/54/336580454.db2.gz CWEVWTZIPIQTLZ-UHFFFAOYSA-N -1 3 313.397 3.842 20 0 DHADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000357397138 336584039 /nfs/dbraw/zinc/58/40/39/336584039.db2.gz GKXGOYGPXBIQSZ-VKAVYKQESA-N -1 3 318.376 3.562 20 0 DHADHM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000363251642 336820870 /nfs/dbraw/zinc/82/08/70/336820870.db2.gz IASRFPRIRIDNFI-IGCXYCKISA-N -1 3 311.381 3.505 20 0 DHADHM CSc1cc(C(=O)[N-]c2nncs2)c(Cl)cc1Cl ZINC000118988839 336875849 /nfs/dbraw/zinc/87/58/49/336875849.db2.gz LHZSWPKAFXFHDR-UHFFFAOYSA-N -1 3 320.226 3.819 20 0 DHADHM Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)s1 ZINC000371563660 336908083 /nfs/dbraw/zinc/90/80/83/336908083.db2.gz PAAJNTRZIBOKQW-KEDPEKRHSA-N -1 3 314.410 3.534 20 0 DHADHM Cc1cnc([C@H]2CCCCN2C(=O)c2cccc(C)c2[O-])s1 ZINC000373164129 336950338 /nfs/dbraw/zinc/95/03/38/336950338.db2.gz ADRBVYVSZAJHPX-CQSZACIVSA-N -1 3 316.426 3.833 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccn2)C2CCCC2)c1 ZINC000373229655 336954045 /nfs/dbraw/zinc/95/40/45/336954045.db2.gz NOOLQLQUXVAOAC-SFHVURJKSA-N -1 3 300.377 3.947 20 0 DHADHM CC(C)c1cc(C(=O)N2CCCOCC2)c([O-])c(C(C)C)c1 ZINC000374026136 336979367 /nfs/dbraw/zinc/97/93/67/336979367.db2.gz CFAFJOZIJHZCPB-UHFFFAOYSA-N -1 3 305.418 3.502 20 0 DHADHM C[C@@H](c1cccnc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375368672 337009417 /nfs/dbraw/zinc/00/94/17/337009417.db2.gz UANXPJNPCYSAPB-AWEZNQCLSA-N -1 3 310.397 3.720 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000426752987 337044976 /nfs/dbraw/zinc/04/49/76/337044976.db2.gz BSNUSNOYCXFZEZ-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000377942105 337064212 /nfs/dbraw/zinc/06/42/12/337064212.db2.gz MSNBKFCBFMTKAL-QLJPJBMISA-N -1 3 321.829 3.815 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c(F)c2)CC)n1 ZINC000193619760 337078623 /nfs/dbraw/zinc/07/86/23/337078623.db2.gz UZNZSJCIFXFIAH-WQLSENKSSA-N -1 3 304.340 3.951 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000171492571 337087436 /nfs/dbraw/zinc/08/74/36/337087436.db2.gz POXRIYKGBLXOLZ-UHFFFAOYSA-N -1 3 305.403 3.815 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000172739801 337130713 /nfs/dbraw/zinc/13/07/13/337130713.db2.gz JUAHFSPGQVUOPC-UHFFFAOYSA-N -1 3 303.343 3.767 20 0 DHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000178326555 337164032 /nfs/dbraw/zinc/16/40/32/337164032.db2.gz FETWZFJAVHDYIX-GOSISDBHSA-N -1 3 311.381 3.768 20 0 DHADHM Cc1nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c(C)s1 ZINC000178837571 337167206 /nfs/dbraw/zinc/16/72/06/337167206.db2.gz ZJOWIIWBCDHPER-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000182198318 337187266 /nfs/dbraw/zinc/18/72/66/337187266.db2.gz GQYJGCHXULYIOD-UHFFFAOYSA-N -1 3 319.307 3.587 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000182542754 337188837 /nfs/dbraw/zinc/18/88/37/337188837.db2.gz WQFWYIXXHJBHEG-CQSZACIVSA-N -1 3 318.376 3.945 20 0 DHADHM Cc1ccc2cccc(C(=O)N3CCCc4cccc([O-])c43)c2n1 ZINC000182923003 337190728 /nfs/dbraw/zinc/19/07/28/337190728.db2.gz ICIRBSMLTLKCQJ-UHFFFAOYSA-N -1 3 318.376 3.842 20 0 DHADHM CC[C@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000183460189 337191883 /nfs/dbraw/zinc/19/18/83/337191883.db2.gz ZSVQUXDSIOZELT-KOLCDFICSA-N -1 3 317.307 3.555 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000023528575 337193709 /nfs/dbraw/zinc/19/37/09/337193709.db2.gz IWZVSXUXXRJSCL-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1cccc([O-])c1 ZINC000183993549 337194280 /nfs/dbraw/zinc/19/42/80/337194280.db2.gz BODPHXJDHZFGCC-UHFFFAOYSA-N -1 3 317.193 3.673 20 0 DHADHM O=C([N-]c1csc(-c2ccncc2)n1)c1ccc(Cl)o1 ZINC000185441137 337205381 /nfs/dbraw/zinc/20/53/81/337205381.db2.gz QOCAMCJSDWGMOK-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c2cccnc12 ZINC000397063803 337245758 /nfs/dbraw/zinc/24/57/58/337245758.db2.gz ZPHXTLZIBFJSDJ-WCQYABFASA-N -1 3 318.804 3.573 20 0 DHADHM Cc1csc(C2CCN(Cc3cc([O-])cc(F)c3)CC2)n1 ZINC000186205619 337254718 /nfs/dbraw/zinc/25/47/18/337254718.db2.gz BCBHIHPGZFFWFD-UHFFFAOYSA-N -1 3 306.406 3.676 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000187466582 337266091 /nfs/dbraw/zinc/26/60/91/337266091.db2.gz WIVPHOGBYUBBRM-GFCCVEGCSA-N -1 3 317.335 3.609 20 0 DHADHM O=C(Nc1ccc(Cl)cc1F)c1n[n-]nc1-c1ccccc1 ZINC000188410154 337273217 /nfs/dbraw/zinc/27/32/17/337273217.db2.gz ITYGHMAMTKIODB-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM Cc1ccc([O-])c(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c1 ZINC000190401212 337287546 /nfs/dbraw/zinc/28/75/46/337287546.db2.gz WEIPHAYXGAIOLI-FZMZJTMJSA-N -1 3 302.374 3.669 20 0 DHADHM O=C(Nc1cc(F)cc(F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000192452521 337305409 /nfs/dbraw/zinc/30/54/09/337305409.db2.gz DVTRZDLSCMOVSK-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3coc4ccccc34)no2)c1 ZINC000321943073 337306118 /nfs/dbraw/zinc/30/61/18/337306118.db2.gz UTARGIAZISSIRJ-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)[C@@H]1C(=O)[O-] ZINC000235318666 337309095 /nfs/dbraw/zinc/30/90/95/337309095.db2.gz WQQHTQXMDUIAQW-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000235314909 337308943 /nfs/dbraw/zinc/30/89/43/337308943.db2.gz MOADHDDMLPADKG-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000235662453 337326660 /nfs/dbraw/zinc/32/66/60/337326660.db2.gz MOADHDDMLPADKG-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(C(C)(C)CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000584509684 337351870 /nfs/dbraw/zinc/35/18/70/337351870.db2.gz QJXKYDRRLNGOSA-OAHLLOKOSA-N -1 3 313.445 3.770 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccsc2)CC1 ZINC000124042841 337403395 /nfs/dbraw/zinc/40/33/95/337403395.db2.gz RDHUXCKAPGBWCJ-UHFFFAOYSA-N -1 3 301.411 3.549 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ccc(N(C)C)cc2F)c1[O-] ZINC000162273708 337612098 /nfs/dbraw/zinc/61/20/98/337612098.db2.gz ZCXIXVCYYTUMJI-UHFFFAOYSA-N -1 3 322.767 3.811 20 0 DHADHM CC(C)C[C@@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000263469498 337630056 /nfs/dbraw/zinc/63/00/56/337630056.db2.gz HFNPICZPYIFXCL-NSHDSACASA-N -1 3 324.471 3.708 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c([O-])c1C ZINC000421951418 337663702 /nfs/dbraw/zinc/66/37/02/337663702.db2.gz CVWLRKIUBVOQGW-GFCCVEGCSA-N -1 3 315.335 3.814 20 0 DHADHM CCOc1cc(-c2noc(/C=C/c3ccc(C)nc3)n2)ccc1[O-] ZINC000445417737 337695164 /nfs/dbraw/zinc/69/51/64/337695164.db2.gz KWNWURPRNBYIAO-RMKNXTFCSA-N -1 3 323.352 3.715 20 0 DHADHM CCOc1cc(-c2noc(/C=C\c3cnccc3C)n2)ccc1[O-] ZINC000445421225 337719354 /nfs/dbraw/zinc/71/93/54/337719354.db2.gz XTNGHKHFLDDZHV-ALCCZGGFSA-N -1 3 323.352 3.715 20 0 DHADHM CCOc1cc(-c2noc(CCc3ccccc3C)n2)ccc1[O-] ZINC000445428486 337728579 /nfs/dbraw/zinc/72/85/79/337728579.db2.gz VICCJLXQXJWNRL-UHFFFAOYSA-N -1 3 324.380 3.935 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2ccsc2C(F)(F)F)s1 ZINC000528128153 337788975 /nfs/dbraw/zinc/78/89/75/337788975.db2.gz ZAKKOWXJUQJZIV-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000536890146 337846070 /nfs/dbraw/zinc/84/60/70/337846070.db2.gz NUIIDTNMVNVGRO-CHWSQXEVSA-N -1 3 305.736 3.927 20 0 DHADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000120148712 337870853 /nfs/dbraw/zinc/87/08/53/337870853.db2.gz XFOHVNCRRPDLJU-LLVKDONJSA-N -1 3 301.773 3.738 20 0 DHADHM CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c(C(C)C)c1 ZINC000537489276 337937979 /nfs/dbraw/zinc/93/79/79/337937979.db2.gz POAIJPZFLGQPDI-OKILXGFUSA-N -1 3 319.445 3.888 20 0 DHADHM O=C(NC[C@H](c1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000514807418 337971998 /nfs/dbraw/zinc/97/19/98/337971998.db2.gz RJAJZSKIKCDAHZ-MRXNPFEDSA-N -1 3 315.800 3.969 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000515205594 337982663 /nfs/dbraw/zinc/98/26/63/337982663.db2.gz NMTXXQBRIXVZHB-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3ccc(F)c(F)c3)no2)c1 ZINC000445450430 337992896 /nfs/dbraw/zinc/99/28/96/337992896.db2.gz SPBRHTWQWGYGKU-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCCC2)c1Cl ZINC000515731452 337996008 /nfs/dbraw/zinc/99/60/08/337996008.db2.gz GAVOFQXHMQXVNI-UHFFFAOYSA-N -1 3 308.230 3.523 20 0 DHADHM CCCc1ccc2nccc(N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000515852021 337998931 /nfs/dbraw/zinc/99/89/31/337998931.db2.gz MBYVRELBRNKFKR-MRXNPFEDSA-N -1 3 324.424 3.878 20 0 DHADHM CCCn1c(CN[C@@H](C)CCCCC(=O)[O-])nc2ccccc21 ZINC000426647813 338036835 /nfs/dbraw/zinc/03/68/35/338036835.db2.gz QPTJSKVLQFYBFH-AWEZNQCLSA-N -1 3 317.433 3.569 20 0 DHADHM O=C([O-])CC1(CNCc2ccc(Cl)cc2Cl)CCC1 ZINC000426656912 338037314 /nfs/dbraw/zinc/03/73/14/338037314.db2.gz KUOBBBOUYKTTEF-UHFFFAOYSA-N -1 3 302.201 3.728 20 0 DHADHM Cc1ccc([C@H](NCc2cc(C)c3ncccc3c2)C(=O)[O-])cc1 ZINC000426673649 338037712 /nfs/dbraw/zinc/03/77/12/338037712.db2.gz YSKWNYOLLXULNA-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)c(Cl)c1 ZINC000426677786 338037842 /nfs/dbraw/zinc/03/78/42/338037842.db2.gz ADTITOJBFFTCSA-UHFFFAOYSA-N -1 3 324.207 3.910 20 0 DHADHM Cc1cc(Cl)ccc1CNCc1ccccc1CC(=O)[O-] ZINC000426678413 338037896 /nfs/dbraw/zinc/03/78/96/338037896.db2.gz CABLOZLPGLIUFH-UHFFFAOYSA-N -1 3 303.789 3.565 20 0 DHADHM Cc1ccc([C@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cc1 ZINC000426685673 338038091 /nfs/dbraw/zinc/03/80/91/338038091.db2.gz JQIJASQLRWSZHM-HNNXBMFYSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1ccc([C@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])cc1 ZINC000426688879 338038232 /nfs/dbraw/zinc/03/82/32/338038232.db2.gz XQSFTLQRFFRUQI-SFHVURJKSA-N -1 3 313.397 3.698 20 0 DHADHM O=C([O-])c1ccc(CNCc2cccc(-c3ccncc3)c2)cc1 ZINC000426708771 338038747 /nfs/dbraw/zinc/03/87/47/338038747.db2.gz MTQQSDKDRCOIIL-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM Cc1cccc([C@H](NCc2ccc3ncccc3c2)C(=O)[O-])c1C ZINC000426724930 338039355 /nfs/dbraw/zinc/03/93/55/338039355.db2.gz XDOJQKRXTNWYQO-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCC[C@]2(C)C(=O)[O-])cs1 ZINC000426730255 338039579 /nfs/dbraw/zinc/03/95/79/338039579.db2.gz KMGWGYZQPSCSHW-LRDDRELGSA-N -1 3 310.463 3.564 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000426734917 338039789 /nfs/dbraw/zinc/03/97/89/338039789.db2.gz BYMHFBQUPHCMIW-PBHICJAKSA-N -1 3 316.426 3.543 20 0 DHADHM CC1([C@H](NCc2ccsc2Cl)C(=O)[O-])CCCCC1 ZINC000426745524 338040371 /nfs/dbraw/zinc/04/03/71/338040371.db2.gz URSPTIFCHXJELR-LLVKDONJSA-N -1 3 301.839 3.915 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000426751417 338040671 /nfs/dbraw/zinc/04/06/71/338040671.db2.gz VSZVOLSOBGYXHK-AUUYWEPGSA-N -1 3 320.392 3.786 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1coc2ccccc12)c1ccccc1 ZINC000426755283 338040888 /nfs/dbraw/zinc/04/08/88/338040888.db2.gz YAEUUKHGKNYOQQ-SCLBCKFNSA-N -1 3 309.365 3.984 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@H]2CCO)c([O-])c(C(C)C)c1 ZINC000428599961 338056961 /nfs/dbraw/zinc/05/69/61/338056961.db2.gz WCRGPNCRIFAPHH-HNNXBMFYSA-N -1 3 319.445 3.626 20 0 DHADHM CC(C)Oc1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000431402625 338129907 /nfs/dbraw/zinc/12/99/07/338129907.db2.gz RAKIZBLIXDLJNE-UHFFFAOYSA-N -1 3 319.788 3.763 20 0 DHADHM CN(C)[C@H](CC(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000431788163 338138884 /nfs/dbraw/zinc/13/88/84/338138884.db2.gz ZCXRJHGSOGMVQK-OAHLLOKOSA-N -1 3 318.804 3.677 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000431847012 338140050 /nfs/dbraw/zinc/14/00/50/338140050.db2.gz UOZIMCRXNWSFPV-ZBEGNZNMSA-N -1 3 301.773 3.879 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1 ZINC000432264241 338151839 /nfs/dbraw/zinc/15/18/39/338151839.db2.gz LEMMOZSHGLRCDD-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H]2CCOC[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000432466559 338156910 /nfs/dbraw/zinc/15/69/10/338156910.db2.gz XXWYFAGVURGASV-GUYCJALGSA-N -1 3 319.445 3.794 20 0 DHADHM CC(=O)c1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1Cl ZINC000432515633 338158097 /nfs/dbraw/zinc/15/80/97/338158097.db2.gz UAAOPEMMFKGEJK-UHFFFAOYSA-N -1 3 316.719 3.998 20 0 DHADHM COc1cc(C)ccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000432541799 338158437 /nfs/dbraw/zinc/15/84/37/338158437.db2.gz OZULIUHFPHFPHS-VQHVLOKHSA-N -1 3 308.337 3.930 20 0 DHADHM COC(=O)c1cnc(S[C@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC000432671918 338162121 /nfs/dbraw/zinc/16/21/21/338162121.db2.gz XCGUFGPKXQZPFY-LBPRGKRZSA-N -1 3 308.790 3.629 20 0 DHADHM COC(=O)c1cnc(SCCCc2ccccc2Cl)[n-]1 ZINC000432673056 338162135 /nfs/dbraw/zinc/16/21/35/338162135.db2.gz UQPADIMMQBSXBS-UHFFFAOYSA-N -1 3 310.806 3.575 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2noc(-c3ccccc3)n2)s1 ZINC000433373230 338194234 /nfs/dbraw/zinc/19/42/34/338194234.db2.gz JPZFPIIEDDLCFW-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000433809920 338202593 /nfs/dbraw/zinc/20/25/93/338202593.db2.gz XIMLBZWWROHXCY-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(F)(c3ccccc3)CC2)n1 ZINC000435060748 338231633 /nfs/dbraw/zinc/23/16/33/338231633.db2.gz MPRHXDQGMYQHLR-UHFFFAOYSA-N -1 3 300.377 3.556 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c([O-])c1C ZINC000436488445 338274092 /nfs/dbraw/zinc/27/40/92/338274092.db2.gz VXEXJJHVPCOPBO-CQSZACIVSA-N -1 3 313.372 3.778 20 0 DHADHM [O-]c1ccc(-c2noc(-c3csc(C(F)(F)F)n3)n2)cc1 ZINC000436511910 338274569 /nfs/dbraw/zinc/27/45/69/338274569.db2.gz IKKPYDXIYWZMQD-UHFFFAOYSA-N -1 3 313.260 3.585 20 0 DHADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436512531 338274675 /nfs/dbraw/zinc/27/46/75/338274675.db2.gz KWAXDXQBQUSWNU-LJQANCHMSA-N -1 3 313.372 3.720 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccsc3Cl)n2)cc1 ZINC000436510622 338274705 /nfs/dbraw/zinc/27/47/05/338274705.db2.gz DVRSXNJWKYOOMS-UHFFFAOYSA-N -1 3 308.746 3.736 20 0 DHADHM COc1cccc(-c2nc(-c3cccc4ncccc43)no2)c1[O-] ZINC000436524008 338275102 /nfs/dbraw/zinc/27/51/02/338275102.db2.gz XWQVHVGZOQGKOO-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436531721 338275584 /nfs/dbraw/zinc/27/55/84/338275584.db2.gz WJHDCYDEVADMBH-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc2ccccc2c1[O-] ZINC000436538023 338275913 /nfs/dbraw/zinc/27/59/13/338275913.db2.gz ZWHRVABJXUXLBM-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c([O-])c1 ZINC000436549883 338276754 /nfs/dbraw/zinc/27/67/54/338276754.db2.gz XYYIKNKRGQLQCK-HXUWFJFHSA-N -1 3 309.409 3.895 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(F)cn3)no1)CCCC2 ZINC000436560189 338277006 /nfs/dbraw/zinc/27/70/06/338277006.db2.gz BVGWFXFMGMKKIP-UHFFFAOYSA-N -1 3 311.316 3.522 20 0 DHADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436562416 338277095 /nfs/dbraw/zinc/27/70/95/338277095.db2.gz JLCAROYHJGXVSF-CABCVRRESA-N -1 3 309.409 3.854 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c([O-])c1C ZINC000436560879 338277159 /nfs/dbraw/zinc/27/71/59/338277159.db2.gz DHCJGLXQBVJPCM-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(OC(F)F)c2)c1[O-] ZINC000436565238 338277316 /nfs/dbraw/zinc/27/73/16/338277316.db2.gz UKDZCAWKYFDRPG-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1[O-] ZINC000436566812 338277460 /nfs/dbraw/zinc/27/74/60/338277460.db2.gz MVXKWUCKJFMWNZ-CYBMUJFWSA-N -1 3 313.250 3.565 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC000436572153 338277747 /nfs/dbraw/zinc/27/77/47/338277747.db2.gz DHSMLLPJYSQXFC-WBVHZDCISA-N -1 3 309.409 3.794 20 0 DHADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436572422 338277821 /nfs/dbraw/zinc/27/78/21/338277821.db2.gz FYBFYGLEFTXPMB-KRWDZBQOSA-N -1 3 315.388 3.871 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c([O-])c1 ZINC000436576796 338277932 /nfs/dbraw/zinc/27/79/32/338277932.db2.gz RGJYOPRANQYTGZ-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1 ZINC000436579496 338278144 /nfs/dbraw/zinc/27/81/44/338278144.db2.gz XGCMCIVKKIKCQH-DOTOQJQBSA-N -1 3 309.409 3.794 20 0 DHADHM C[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436578738 338278264 /nfs/dbraw/zinc/27/82/64/338278264.db2.gz XIWPMMSDUCMORK-HNNXBMFYSA-N -1 3 309.409 3.802 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1C ZINC000436588297 338278719 /nfs/dbraw/zinc/27/87/19/338278719.db2.gz SKZFKCHTZDRAJH-CABCVRRESA-N -1 3 305.443 3.509 20 0 DHADHM CC[C@@](C)(NC(=O)c1ccc(C)c(C)c1[O-])c1nc(C)cs1 ZINC000436588846 338278843 /nfs/dbraw/zinc/27/88/43/338278843.db2.gz OHMDIJTXFVSPNO-QGZVFWFLSA-N -1 3 318.442 3.829 20 0 DHADHM Cc1nc(C)c(CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436592782 338278952 /nfs/dbraw/zinc/27/89/52/338278952.db2.gz YUZCRBGYMMHGPG-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cccc([C@@H]4CCOC4)c3)n2)cc1 ZINC000436595720 338279087 /nfs/dbraw/zinc/27/90/87/338279087.db2.gz MQYXUFTZEBCAMK-OAHLLOKOSA-N -1 3 308.337 3.613 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC(C)=C(C)C2)c([O-])c1 ZINC000436593440 338279123 /nfs/dbraw/zinc/27/91/23/338279123.db2.gz BWOJECFBRWQTIZ-UHFFFAOYSA-N -1 3 303.402 3.753 20 0 DHADHM O=C(Nc1ccc2cccc(Cl)c2n1)c1c([O-])cccc1O ZINC000436594048 338279135 /nfs/dbraw/zinc/27/91/35/338279135.db2.gz FGNOIJXUQAXNSP-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CCOc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)ccc1O ZINC000436597877 338279216 /nfs/dbraw/zinc/27/92/16/338279216.db2.gz XDFKJMBIQXZNOR-UHFFFAOYSA-N -1 3 316.744 3.760 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c([O-])c1 ZINC000436601802 338279506 /nfs/dbraw/zinc/27/95/06/338279506.db2.gz KRLZBIDGQBZOOW-KRWDZBQOSA-N -1 3 312.413 3.567 20 0 DHADHM CCCCOc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436612429 338279936 /nfs/dbraw/zinc/27/99/36/338279936.db2.gz XWNUNDFOUHLJHN-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM CCc1ccnc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436620366 338280261 /nfs/dbraw/zinc/28/02/61/338280261.db2.gz VKAURIJEWQNYQL-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)c([O-])c1C ZINC000436627516 338280669 /nfs/dbraw/zinc/28/06/69/338280669.db2.gz WOGNSOQQHJZUPX-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(F)cc1F ZINC000436635321 338280714 /nfs/dbraw/zinc/28/07/14/338280714.db2.gz SZDYSWJMDFKMEJ-AWEZNQCLSA-N -1 3 321.323 3.560 20 0 DHADHM COCc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436638811 338280893 /nfs/dbraw/zinc/28/08/93/338280893.db2.gz HFYZPZRHUPVXTA-UHFFFAOYSA-N -1 3 313.397 3.592 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000436686189 338282762 /nfs/dbraw/zinc/28/27/62/338282762.db2.gz NBUVYLXIXVYRGU-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c1[O-] ZINC000436696806 338283162 /nfs/dbraw/zinc/28/31/62/338283162.db2.gz IAKGKTPOBWHAAK-SFHVURJKSA-N -1 3 317.335 3.551 20 0 DHADHM CCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000436695836 338283236 /nfs/dbraw/zinc/28/32/36/338283236.db2.gz GTUMSIKAWDABSG-UHFFFAOYSA-N -1 3 319.788 3.683 20 0 DHADHM COCCn1ccc2ccc(NC(=O)c3cc(C)ccc3[O-])cc21 ZINC000436702617 338283437 /nfs/dbraw/zinc/28/34/37/338283437.db2.gz DGJFXJQSBBJKER-UHFFFAOYSA-N -1 3 324.380 3.554 20 0 DHADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000436705909 338283487 /nfs/dbraw/zinc/28/34/87/338283487.db2.gz OPFXQPWHVQTZOL-ZIAGYGMSSA-N -1 3 305.418 3.919 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC000436719144 338283948 /nfs/dbraw/zinc/28/39/48/338283948.db2.gz NQXFBMRHCGSDFQ-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1 ZINC000436721242 338284096 /nfs/dbraw/zinc/28/40/96/338284096.db2.gz WIZKZHDCCOLOFQ-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM COc1cccc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC000436739651 338284747 /nfs/dbraw/zinc/28/47/47/338284747.db2.gz OKMOMFMNHSYENJ-CHWSQXEVSA-N -1 3 305.418 3.688 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c1[O-] ZINC000436739384 338284779 /nfs/dbraw/zinc/28/47/79/338284779.db2.gz PWHHDPZBDGLZMJ-OAHLLOKOSA-N -1 3 322.408 3.720 20 0 DHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436736354 338284802 /nfs/dbraw/zinc/28/48/02/338284802.db2.gz GJKSQQGZKOEBMA-HUUCEWRRSA-N -1 3 311.381 3.554 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3cc(C)ccc3[O-])c2C1 ZINC000436746474 338285186 /nfs/dbraw/zinc/28/51/86/338285186.db2.gz HKCMSTMZHSSWMS-UHFFFAOYSA-N -1 3 310.397 3.679 20 0 DHADHM CCCOc1nc(C(=O)Nc2ccccc2[O-])cc2ccccc21 ZINC000436749309 338285313 /nfs/dbraw/zinc/28/53/13/338285313.db2.gz JMPFFKZNKVIKIV-UHFFFAOYSA-N -1 3 322.364 3.982 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2cccs2)c([O-])c1 ZINC000436759598 338286037 /nfs/dbraw/zinc/28/60/37/338286037.db2.gz CGAQZCYAXUSIOJ-GFCCVEGCSA-N -1 3 303.427 3.938 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1[O-] ZINC000436765754 338286340 /nfs/dbraw/zinc/28/63/40/338286340.db2.gz YLWCPTWEPVNZPA-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM C[C@H](Oc1ccc(F)c(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436765433 338286400 /nfs/dbraw/zinc/28/64/00/338286400.db2.gz BCFBWNXCNILOOE-VIFPVBQESA-N -1 3 318.279 3.860 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436763504 338286467 /nfs/dbraw/zinc/28/64/67/338286467.db2.gz HCGKEYUMQRSOBH-DGCLKSJQSA-N -1 3 303.402 3.509 20 0 DHADHM CC(C)Cc1nc(-c2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000436767766 338286491 /nfs/dbraw/zinc/28/64/91/338286491.db2.gz HXOKPZQWVWYNAM-UHFFFAOYSA-N -1 3 301.371 3.764 20 0 DHADHM Cc1ccnn1-c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436772264 338286740 /nfs/dbraw/zinc/28/67/40/338286740.db2.gz NEKFTQYHOURRDO-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc1C ZINC000436797816 338287763 /nfs/dbraw/zinc/28/77/63/338287763.db2.gz PLQDZERCXIPUBB-KRWDZBQOSA-N -1 3 311.381 3.692 20 0 DHADHM CC(C)(C)Oc1ccc(-c2noc(-c3ccccc3[O-])n2)nc1 ZINC000436796276 338287845 /nfs/dbraw/zinc/28/78/45/338287845.db2.gz VREDXGUMINIZNX-UHFFFAOYSA-N -1 3 311.341 3.682 20 0 DHADHM COc1ccc(C(=O)N(C)C/C(C)=C\c2ccccc2)c([O-])c1 ZINC000436805533 338287954 /nfs/dbraw/zinc/28/79/54/338287954.db2.gz FHERWEQXDFGUNN-KAMYIIQDSA-N -1 3 311.381 3.576 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000436806031 338288011 /nfs/dbraw/zinc/28/80/11/338288011.db2.gz GPPIDBFHUZUQRZ-NEPJUHHUSA-N -1 3 314.291 3.992 20 0 DHADHM CCOc1ccc(CN(C)C(=O)c2ccc(CC)cc2[O-])cc1 ZINC000436803253 338288013 /nfs/dbraw/zinc/28/80/13/338288013.db2.gz NGQNIGBTMMDFPV-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM Cc1ccc(C(=O)N(C)CCCOc2ccccc2C)c([O-])c1 ZINC000436808524 338288116 /nfs/dbraw/zinc/28/81/16/338288116.db2.gz PJMMEGLWGFAFLB-UHFFFAOYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c1 ZINC000436810576 338288171 /nfs/dbraw/zinc/28/81/71/338288171.db2.gz BSRZDWZYUQHCKQ-CYBMUJFWSA-N -1 3 301.390 3.757 20 0 DHADHM CCc1ccc(C(=O)N(C)CCc2ccc(Cl)cc2)c([O-])c1 ZINC000436813972 338288291 /nfs/dbraw/zinc/28/82/91/338288291.db2.gz JMHJBRPOOYSXEL-UHFFFAOYSA-N -1 3 317.816 3.923 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c([O-])c1 ZINC000436818952 338288530 /nfs/dbraw/zinc/28/85/30/338288530.db2.gz GTRKGWKNCZRKMZ-MRXNPFEDSA-N -1 3 309.409 3.893 20 0 DHADHM CCc1ccc(C(=O)Nc2ccccc2OCC(F)F)c([O-])c1 ZINC000436827116 338288845 /nfs/dbraw/zinc/28/88/45/338288845.db2.gz CVANJZQRWHJWIV-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436832684 338288944 /nfs/dbraw/zinc/28/89/44/338288944.db2.gz JTNJBNRFLMQVGT-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM Cc1cccc(C(=O)NCCCCCOC2CCCCC2)c1[O-] ZINC000436839186 338289481 /nfs/dbraw/zinc/28/94/81/338289481.db2.gz MYSBZFBWDFLBLC-UHFFFAOYSA-N -1 3 319.445 3.950 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CCCc4c(O)cccc43)n2)cc1 ZINC000436868074 338290542 /nfs/dbraw/zinc/29/05/42/338290542.db2.gz FPZXVSZAWUQULS-OAHLLOKOSA-N -1 3 308.337 3.616 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1[O-] ZINC000436872463 338290946 /nfs/dbraw/zinc/29/09/46/338290946.db2.gz WQQMLQRYKWOSMC-QGZVFWFLSA-N -1 3 309.365 3.572 20 0 DHADHM CC(C)CCc1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000436886275 338291729 /nfs/dbraw/zinc/29/17/29/338291729.db2.gz GUBSZZUNXIARCO-UHFFFAOYSA-N -1 3 302.374 3.744 20 0 DHADHM O=C(NC1CC(F)(F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436882887 338291856 /nfs/dbraw/zinc/29/18/56/338291856.db2.gz XQFNGQGBYBENFH-UHFFFAOYSA-N -1 3 317.335 3.511 20 0 DHADHM COc1ccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4)no3)c2c1 ZINC000436890040 338291978 /nfs/dbraw/zinc/29/19/78/338291978.db2.gz DHCVQWQQXZEKTF-UHFFFAOYSA-N -1 3 321.336 3.523 20 0 DHADHM O=C(c1ccccc1[O-])N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436890569 338292120 /nfs/dbraw/zinc/29/21/20/338292120.db2.gz CFMQCCLCTZSQPJ-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000436906416 338292882 /nfs/dbraw/zinc/29/28/82/338292882.db2.gz VWGYIAHWWALFBZ-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM CCOc1ccccc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436909757 338293035 /nfs/dbraw/zinc/29/30/35/338293035.db2.gz NLPCOESGTDYQTO-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM CCCCOc1cccc(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436907147 338293043 /nfs/dbraw/zinc/29/30/43/338293043.db2.gz XLNXZEUHKATMAS-UHFFFAOYSA-N -1 3 313.397 3.810 20 0 DHADHM COc1ccc([C@H](C)CCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436925172 338293568 /nfs/dbraw/zinc/29/35/68/338293568.db2.gz IWXDASLWFSEWMB-CYBMUJFWSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)ccc1[O-] ZINC000436930348 338294093 /nfs/dbraw/zinc/29/40/93/338294093.db2.gz XCOUCIPNIBSKQE-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM CC[C@@H](CNC(=O)c1ccc([O-])c(C)c1)Oc1ccccc1C ZINC000436940096 338294867 /nfs/dbraw/zinc/29/48/67/338294867.db2.gz UFOJQGOMWCGPGV-INIZCTEOSA-N -1 3 313.397 3.596 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1 ZINC000436943022 338294903 /nfs/dbraw/zinc/29/49/03/338294903.db2.gz XLBFBHPRPWHOMR-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM COc1cccc(-c2nc([C@H](C)c3cccs3)no2)c1[O-] ZINC000436942672 338294953 /nfs/dbraw/zinc/29/49/53/338294953.db2.gz WPSBRSCINUTOGZ-SECBINFHSA-N -1 3 302.355 3.664 20 0 DHADHM COc1cccc2[nH]cc(Cc3noc(-c4ccccc4[O-])n3)c21 ZINC000436942653 338295045 /nfs/dbraw/zinc/29/50/45/338295045.db2.gz WLULDEJSDXSWMM-UHFFFAOYSA-N -1 3 321.336 3.523 20 0 DHADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1ccc(F)cc1F ZINC000436951816 338295463 /nfs/dbraw/zinc/29/54/63/338295463.db2.gz TYIBHWSZKSGZHV-HNNXBMFYSA-N -1 3 321.323 3.560 20 0 DHADHM Cc1cccc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1[O-] ZINC000436959245 338295967 /nfs/dbraw/zinc/29/59/67/338295967.db2.gz CDOPQEHYIFJYHG-UHFFFAOYSA-N -1 3 315.417 3.929 20 0 DHADHM CCCNc1ccccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000436981401 338296546 /nfs/dbraw/zinc/29/65/46/338296546.db2.gz CQFBVHCNUCHYAT-UHFFFAOYSA-N -1 3 314.385 3.783 20 0 DHADHM CCCOc1ccc(CNC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000436988683 338296977 /nfs/dbraw/zinc/29/69/77/338296977.db2.gz XOCBGNKCTMAUJZ-UHFFFAOYSA-N -1 3 313.397 3.728 20 0 DHADHM CC1=CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000437928784 338325492 /nfs/dbraw/zinc/32/54/92/338325492.db2.gz AMFQZSFAYBJKJM-UHFFFAOYSA-N -1 3 321.420 3.970 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1c([O-])cccc1O ZINC000438464228 338344569 /nfs/dbraw/zinc/34/45/69/338344569.db2.gz YUVCKHMLRLRAPO-JKSUJKDBSA-N -1 3 319.360 3.537 20 0 DHADHM CCc1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])o2)cc1 ZINC000438884162 338354778 /nfs/dbraw/zinc/35/47/78/338354778.db2.gz QVZIPXLFUIRSOU-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000439315830 338366995 /nfs/dbraw/zinc/36/69/95/338366995.db2.gz BXQUKJTXXSBTJO-HOCLYGCPSA-N -1 3 311.429 3.513 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1[O-] ZINC000572485960 338382636 /nfs/dbraw/zinc/38/26/36/338382636.db2.gz HXVLQNJJFXJMQG-GJZGRUSLSA-N -1 3 301.386 3.750 20 0 DHADHM COc1ccc2occ(C(=O)[N-]c3nnc(C(C)C)s3)c2c1 ZINC000440442784 338387469 /nfs/dbraw/zinc/38/74/69/338387469.db2.gz IHHOZXSJXKXULB-UHFFFAOYSA-N -1 3 317.370 3.669 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442849049 338434524 /nfs/dbraw/zinc/43/45/24/338434524.db2.gz BHRZLZKKOAPSAR-UHFFFAOYSA-N -1 3 317.360 3.592 20 0 DHADHM Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000447697842 338563655 /nfs/dbraw/zinc/56/36/55/338563655.db2.gz ZZSHSGMLCQFCGZ-FQEVSTJZSA-N -1 3 309.409 3.813 20 0 DHADHM O=C(CC1CC(F)(F)C1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000449825928 338654841 /nfs/dbraw/zinc/65/48/41/338654841.db2.gz QMJFPFMQXNWELU-UHFFFAOYSA-N -1 3 309.234 3.785 20 0 DHADHM CCc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449885773 338657258 /nfs/dbraw/zinc/65/72/58/338657258.db2.gz HTDOOKXRGDVMNQ-HNNXBMFYSA-N -1 3 317.360 3.593 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCC[C@H]1c1ccco1 ZINC000449959134 338660666 /nfs/dbraw/zinc/66/06/66/338660666.db2.gz KAEXIGCCPNHFGC-HNNXBMFYSA-N -1 3 317.360 3.811 20 0 DHADHM Cc1cccc2c1C[C@@H](C(=O)N1CC[C@H](C)c3cccc([O-])c31)O2 ZINC000450942088 338713574 /nfs/dbraw/zinc/71/35/74/338713574.db2.gz ULVKCHQOGOGKGW-UGSOOPFHSA-N -1 3 323.392 3.545 20 0 DHADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452528364 338770093 /nfs/dbraw/zinc/77/00/93/338770093.db2.gz NSGMQJGULCCRGA-WDEREUQCSA-N -1 3 315.335 3.967 20 0 DHADHM [O-]c1ccc(CCCc2nc(C3CC(F)(F)C3)no2)cc1F ZINC000453196262 338806254 /nfs/dbraw/zinc/80/62/54/338806254.db2.gz VVKHGEOABRMFJF-UHFFFAOYSA-N -1 3 312.291 3.602 20 0 DHADHM CCOc1cc(CN2CCS[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000459335782 339022538 /nfs/dbraw/zinc/02/25/38/339022538.db2.gz CGKGQFWAEBMNIB-WDEREUQCSA-N -1 3 315.866 3.770 20 0 DHADHM C[C@H](c1ccccc1)N(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459359012 339024346 /nfs/dbraw/zinc/02/43/46/339024346.db2.gz UGGAMLWVUDHKME-CYBMUJFWSA-N -1 3 309.413 3.785 20 0 DHADHM C[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H](c2ccco2)C1 ZINC000459370114 339025210 /nfs/dbraw/zinc/02/52/10/339025210.db2.gz WXMZPZVOGYGHFT-DOMZBBRYSA-N -1 3 313.401 3.626 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000459401876 339027244 /nfs/dbraw/zinc/02/72/44/339027244.db2.gz JDTQGJDRNDLULY-MRVPVSSYSA-N -1 3 309.822 3.625 20 0 DHADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000461154451 339059861 /nfs/dbraw/zinc/05/98/61/339059861.db2.gz VSNYBDUDYFNOJE-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)C(C)(C)c1ccccc1 ZINC000462356434 339076500 /nfs/dbraw/zinc/07/65/00/339076500.db2.gz HQXZOYRWQIVPJO-AWEZNQCLSA-N -1 3 323.483 3.783 20 0 DHADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462700790 339084356 /nfs/dbraw/zinc/08/43/56/339084356.db2.gz CLVKAIHYJHGKFQ-UWVGGRQHSA-N -1 3 307.818 3.582 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@@H]2C)o1 ZINC000462686031 339084223 /nfs/dbraw/zinc/08/42/23/339084223.db2.gz SUFHAGBRIUFMQJ-SJCJKPOMSA-N -1 3 319.426 3.580 20 0 DHADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000462706665 339084524 /nfs/dbraw/zinc/08/45/24/339084524.db2.gz TXAWMHVWXVEAHW-GHMZBOCLSA-N -1 3 323.380 3.808 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCc1cncc2ccccc21 ZINC000462768111 339087632 /nfs/dbraw/zinc/08/76/32/339087632.db2.gz XEMBRMVLLRQLQL-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCc2ccccc21 ZINC000468528012 339265486 /nfs/dbraw/zinc/26/54/86/339265486.db2.gz BNCSNJCLRLKMQT-KRWDZBQOSA-N -1 3 313.372 3.658 20 0 DHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468582400 339266807 /nfs/dbraw/zinc/26/68/07/339266807.db2.gz XDODCCYQQJHZAM-ZDUSSCGKSA-N -1 3 301.361 3.731 20 0 DHADHM CC(C)[C@H](C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000468597311 339266875 /nfs/dbraw/zinc/26/68/75/339266875.db2.gz DMTVXFVFIMFGJX-ZDUSSCGKSA-N -1 3 307.409 3.890 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2[n-]1 ZINC000468869153 339273159 /nfs/dbraw/zinc/27/31/59/339273159.db2.gz IMLWTFYVTUJKAO-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3ccc(C)cc3C)ccc2[n-]1 ZINC000468869153 339273160 /nfs/dbraw/zinc/27/31/60/339273160.db2.gz IMLWTFYVTUJKAO-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM CC1(C)CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469203843 339282975 /nfs/dbraw/zinc/28/29/75/339282975.db2.gz IJCFMZUDVWLUMU-MRXNPFEDSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc(F)cc2F)c2c([O-])cccc21 ZINC000469237501 339283820 /nfs/dbraw/zinc/28/38/20/339283820.db2.gz QTLCKXBDPAFQAQ-NSHDSACASA-N -1 3 317.335 3.753 20 0 DHADHM CCC[C@H]1SCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469393437 339287767 /nfs/dbraw/zinc/28/77/67/339287767.db2.gz NINAUJBWNINGEN-MRXNPFEDSA-N -1 3 311.422 3.556 20 0 DHADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000469400954 339287891 /nfs/dbraw/zinc/28/78/91/339287891.db2.gz ASWPAAMGWDHSMD-SNVBAGLBSA-N -1 3 321.364 3.562 20 0 DHADHM CCOc1nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2[n-]1 ZINC000469444030 339289544 /nfs/dbraw/zinc/28/95/44/339289544.db2.gz FXFJQHHWRAFRMW-GFCCVEGCSA-N -1 3 321.380 3.553 20 0 DHADHM CCOc1nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2[n-]1 ZINC000469444030 339289545 /nfs/dbraw/zinc/28/95/45/339289545.db2.gz FXFJQHHWRAFRMW-GFCCVEGCSA-N -1 3 321.380 3.553 20 0 DHADHM C[C@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469671819 339295283 /nfs/dbraw/zinc/29/52/83/339295283.db2.gz AAUDHJIRXPBKAM-DZGCQCFKSA-N -1 3 307.409 3.939 20 0 DHADHM CCCCCc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471129091 339337841 /nfs/dbraw/zinc/33/78/41/339337841.db2.gz KTBLGBYOQIDETK-UHFFFAOYSA-N -1 3 313.401 3.842 20 0 DHADHM Cn1c2cccc(Br)c2nc1-c1cc([O-])cc(F)c1 ZINC000471438516 339344838 /nfs/dbraw/zinc/34/48/38/339344838.db2.gz XQNCDUNODJSAEL-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCc2ncccc2[O-])CC1 ZINC000472188157 339365615 /nfs/dbraw/zinc/36/56/15/339365615.db2.gz HNONQQIWRVMHMU-UONOGXRCSA-N -1 3 319.449 3.581 20 0 DHADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCc2ncccc2[O-])CC1 ZINC000472188147 339365636 /nfs/dbraw/zinc/36/56/36/339365636.db2.gz HNONQQIWRVMHMU-KBPBESRZSA-N -1 3 319.449 3.581 20 0 DHADHM CSc1cccc(C)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000472237849 339367073 /nfs/dbraw/zinc/36/70/73/339367073.db2.gz HWIABBXSRYBGBK-UHFFFAOYSA-N -1 3 302.399 3.836 20 0 DHADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1cc([O-])cc(F)c1 ZINC000473146374 339382939 /nfs/dbraw/zinc/38/29/39/339382939.db2.gz YRGBODQGNHVZST-SFHVURJKSA-N -1 3 315.388 3.883 20 0 DHADHM CN(Cc1ccc(Br)cc1)Cc1cc([O-])cc(F)c1 ZINC000473146611 339383018 /nfs/dbraw/zinc/38/30/18/339383018.db2.gz ZZWNJAWEYFFHKM-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM CC(C)c1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000477746453 339500382 /nfs/dbraw/zinc/50/03/82/339500382.db2.gz XSYYXEQUCLWMKT-UHFFFAOYSA-N -1 3 316.376 3.654 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1 ZINC000479536496 339539873 /nfs/dbraw/zinc/53/98/73/339539873.db2.gz LYGUNXJZOJUBBA-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM O=S(=O)([N-][C@@H](CC1CCC1)c1ccccc1)c1cccs1 ZINC000479928815 339553545 /nfs/dbraw/zinc/55/35/45/339553545.db2.gz SNJYPJHFBRCAJN-HNNXBMFYSA-N -1 3 321.467 3.958 20 0 DHADHM O=c1cc(C=CC=Cc2ccc(F)cc2F)nc(C2CC2)[n-]1 ZINC000485983499 339717841 /nfs/dbraw/zinc/71/78/41/339717841.db2.gz MNXCETHPVINNIX-HSFFGMMNSA-N -1 3 300.308 3.652 20 0 DHADHM CCc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C)ccc1[O-] ZINC000486655926 339730499 /nfs/dbraw/zinc/73/04/99/339730499.db2.gz JRYFGOVSTNSUNP-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM COc1cc(O)cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000487182861 339745506 /nfs/dbraw/zinc/74/55/06/339745506.db2.gz VPXOAHCQDSTZMK-UHFFFAOYSA-N -1 3 322.773 3.849 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000487706917 339761408 /nfs/dbraw/zinc/76/14/08/339761408.db2.gz IJBAICGYPAGNTE-UHFFFAOYSA-N -1 3 317.288 3.978 20 0 DHADHM CCCCNc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000489576066 339813185 /nfs/dbraw/zinc/81/31/85/339813185.db2.gz BFDGRULUXIZZKR-UHFFFAOYSA-N -1 3 316.376 3.673 20 0 DHADHM Cc1cc(C(=O)NCCc2cccc3ccccc32)ccc1[O-] ZINC000499582130 340039940 /nfs/dbraw/zinc/03/99/40/340039940.db2.gz BOOIZDUIXHGSFQ-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)cc2NC2CC2)ccc1[O-] ZINC000499842046 340045588 /nfs/dbraw/zinc/04/55/88/340045588.db2.gz QXYIACXMOJXKSF-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000500047347 340049223 /nfs/dbraw/zinc/04/92/23/340049223.db2.gz HWROXGWCPVEJOX-OPRDCNLKSA-N -1 3 307.868 3.505 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000500048178 340049203 /nfs/dbraw/zinc/04/92/03/340049203.db2.gz KSJJKEYQIBHAGS-UHFFFAOYSA-N -1 3 309.353 3.562 20 0 DHADHM Cc1ccc([O-])c(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1 ZINC000500414201 340057485 /nfs/dbraw/zinc/05/74/85/340057485.db2.gz GHFPKKPBHTVEAV-APPDUMDISA-N -1 3 302.805 3.774 20 0 DHADHM Cc1ccc([O-])c(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1 ZINC000500414203 340057566 /nfs/dbraw/zinc/05/75/66/340057566.db2.gz GHFPKKPBHTVEAV-GTNSWQLSSA-N -1 3 302.805 3.774 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)cc2OC(F)F)ccc1[O-] ZINC000500614393 340063643 /nfs/dbraw/zinc/06/36/43/340063643.db2.gz XUCDOQFDTZXGKF-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CCCC[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000503714917 340134047 /nfs/dbraw/zinc/13/40/47/340134047.db2.gz GBMIGLYZIJUTBV-SNVBAGLBSA-N -1 3 314.223 3.597 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N3CCCCc4ccccc43)n[n-]2)o1 ZINC000502677700 340110097 /nfs/dbraw/zinc/11/00/97/340110097.db2.gz WCNFWJLWTXMKIV-UHFFFAOYSA-N -1 3 321.380 3.961 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N3CCCCc4ccccc43)[n-]n2)o1 ZINC000502677700 340110098 /nfs/dbraw/zinc/11/00/98/340110098.db2.gz WCNFWJLWTXMKIV-UHFFFAOYSA-N -1 3 321.380 3.961 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000503548175 340130172 /nfs/dbraw/zinc/13/01/72/340130172.db2.gz INQQWASPESGMFA-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM C[C@@H](C(=O)[N-][C@@](C)(c1ccccc1)C(F)(F)F)C(F)(F)F ZINC000504571534 340149467 /nfs/dbraw/zinc/14/94/67/340149467.db2.gz WOPLDXPKJIWPBG-KWQFWETISA-N -1 3 313.241 3.779 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCOc3ccccc32)c1 ZINC000505573670 340171380 /nfs/dbraw/zinc/17/13/80/340171380.db2.gz DMTOVMLEKICWAK-MRXNPFEDSA-N -1 3 311.381 3.598 20 0 DHADHM CN(Cc1ccccc1F)Cc1cc([O-])ccc1Br ZINC000505605033 340172668 /nfs/dbraw/zinc/17/26/68/340172668.db2.gz FTXGKMYZHXFAJV-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CCCC(F)(F)C1 ZINC000505715072 340175615 /nfs/dbraw/zinc/17/56/15/340175615.db2.gz VEPUPPMDORRVNH-JTQLQIEISA-N -1 3 317.763 3.530 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC000506231312 340189462 /nfs/dbraw/zinc/18/94/62/340189462.db2.gz NOYIAQWXLFTXDY-OAHLLOKOSA-N -1 3 323.392 3.998 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCc2ccccc2O)c([O-])c1 ZINC000506243958 340189821 /nfs/dbraw/zinc/18/98/21/340189821.db2.gz QPQYTZLFFMCMTM-UHFFFAOYSA-N -1 3 313.397 3.967 20 0 DHADHM CCOC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC000506409196 340194099 /nfs/dbraw/zinc/19/40/99/340194099.db2.gz XMWRBGLAHUPLLD-UHFFFAOYSA-N -1 3 313.397 3.625 20 0 DHADHM CN(Cc1cccc([O-])c1Cl)C[C@@H]1OCCc2ccccc21 ZINC000507739767 340229992 /nfs/dbraw/zinc/22/99/92/340229992.db2.gz LTIFGOAPGBCSCH-KRWDZBQOSA-N -1 3 317.816 3.791 20 0 DHADHM Cc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1[O-] ZINC000301144279 340246770 /nfs/dbraw/zinc/24/67/70/340246770.db2.gz KGNYJXWQHZHKNY-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM CC(C)(C)c1cnc(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000509141808 340262183 /nfs/dbraw/zinc/26/21/83/340262183.db2.gz UFVQKBZYRGSGAO-UHFFFAOYSA-N -1 3 324.833 3.981 20 0 DHADHM COc1c(Cl)cc(NC(=O)c2cccc([O-])c2)cc1Cl ZINC000509334701 340266583 /nfs/dbraw/zinc/26/65/83/340266583.db2.gz NAEPLEKBOHCHNL-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CCOc1ccc(OC)cc1NCc1c(F)ccc([O-])c1F ZINC000509433435 340269342 /nfs/dbraw/zinc/26/93/42/340269342.db2.gz DBPXUAXOUXURGB-UHFFFAOYSA-N -1 3 309.312 3.690 20 0 DHADHM Cc1cccc(C(=O)NCCSCc2ccccc2F)c1[O-] ZINC000302533000 340275545 /nfs/dbraw/zinc/27/55/45/340275545.db2.gz JTDMZQLTAHDYQZ-UHFFFAOYSA-N -1 3 319.401 3.503 20 0 DHADHM Cc1ccc(SCCNCc2c(F)ccc([O-])c2F)cc1 ZINC000509670761 340276408 /nfs/dbraw/zinc/27/64/08/340276408.db2.gz LIERFBMRJZGNIL-UHFFFAOYSA-N -1 3 309.381 3.861 20 0 DHADHM Cc1ccc(SCCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000302613520 340277649 /nfs/dbraw/zinc/27/76/49/340277649.db2.gz SXQDUUIJLRHGJM-UHFFFAOYSA-N -1 3 301.411 3.531 20 0 DHADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccccc1[O-] ZINC000302795159 340282206 /nfs/dbraw/zinc/28/22/06/340282206.db2.gz XDMGYTJUNFBZFG-UHFFFAOYSA-N -1 3 309.365 3.973 20 0 DHADHM COc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1[O-] ZINC000509905442 340282424 /nfs/dbraw/zinc/28/24/24/340282424.db2.gz UEJVOERFEMLIRE-BPLDGKMQSA-N -1 3 305.418 3.591 20 0 DHADHM [O-]c1ccc(F)c(CNCCCc2c[nH]c3ccccc23)c1F ZINC000510779819 340310776 /nfs/dbraw/zinc/31/07/76/340310776.db2.gz LUGSKWXQZYKXIU-UHFFFAOYSA-N -1 3 316.351 3.874 20 0 DHADHM COc1ccc([C@@H](C)NCc2c(F)ccc([O-])c2F)cc1F ZINC000511486816 340328278 /nfs/dbraw/zinc/32/82/78/340328278.db2.gz IMHYKOGDKNKOKQ-SECBINFHSA-N -1 3 311.303 3.669 20 0 DHADHM CCS[C@@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000511556591 340330553 /nfs/dbraw/zinc/33/05/53/340330553.db2.gz RGRRWJQMYHWLQL-GHMZBOCLSA-N -1 3 301.402 3.824 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000512031139 340345463 /nfs/dbraw/zinc/34/54/63/340345463.db2.gz NHXKETWZFAPLPU-RKDXNWHRSA-N -1 3 310.246 3.706 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512020829 340345580 /nfs/dbraw/zinc/34/55/80/340345580.db2.gz ABBVTOOQFUROSG-BDAKNGLRSA-N -1 3 310.246 3.706 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000512026264 340345719 /nfs/dbraw/zinc/34/57/19/340345719.db2.gz SHVXGKWWNZUNCS-RKDXNWHRSA-N -1 3 310.246 3.706 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000512026261 340345773 /nfs/dbraw/zinc/34/57/73/340345773.db2.gz SHVXGKWWNZUNCS-BDAKNGLRSA-N -1 3 310.246 3.706 20 0 DHADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512908603 340383630 /nfs/dbraw/zinc/38/36/30/340383630.db2.gz HUCILVYUDGHVHU-XJKSGUPXSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1nnc(SCc2ncccc2[O-])n1[C@H]1CCC[C@@H](C)C1 ZINC000516705190 340454378 /nfs/dbraw/zinc/45/43/78/340454378.db2.gz FSPUNZCACDCNGN-YPMHNXCESA-N -1 3 318.446 3.731 20 0 DHADHM O=C([O-])c1coc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000517159781 340464624 /nfs/dbraw/zinc/46/46/24/340464624.db2.gz YNRQLGQNJDQKMT-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM C[C@H](OC1CCCCCC1)C(=O)N1CCCc2cccc([O-])c21 ZINC000182944443 340485966 /nfs/dbraw/zinc/48/59/66/340485966.db2.gz CHYNREBHOZROQC-AWEZNQCLSA-N -1 3 317.429 3.799 20 0 DHADHM CC(C)c1ccc(OCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183268717 340487216 /nfs/dbraw/zinc/48/72/16/340487216.db2.gz PYODJBALFYKULE-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM CC(C)c1cc(C(=O)N(C)c2nncs2)c([O-])c(C(C)C)c1 ZINC000184307512 340491957 /nfs/dbraw/zinc/49/19/57/340491957.db2.gz CNGGLYCCSGTSQR-UHFFFAOYSA-N -1 3 319.430 3.767 20 0 DHADHM COc1ccc2cc(CNCc3cc([O-])cc(F)c3)ccc2c1 ZINC000185454410 340501282 /nfs/dbraw/zinc/50/12/82/340501282.db2.gz KJVJGXKPYXPQLD-UHFFFAOYSA-N -1 3 311.356 3.983 20 0 DHADHM C[C@H]1CCc2sc(C(=O)NCc3ccc([O-])c(F)c3)cc2C1 ZINC000523424812 340623541 /nfs/dbraw/zinc/62/35/41/340623541.db2.gz PVXQZGSVZZVSJT-JTQLQIEISA-N -1 3 319.401 3.648 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523424226 340623545 /nfs/dbraw/zinc/62/35/45/340623545.db2.gz FJQYZWKIZZTVDM-UHFFFAOYSA-N -1 3 301.361 3.759 20 0 DHADHM CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000303279453 340634216 /nfs/dbraw/zinc/63/42/16/340634216.db2.gz LUHZSQAQHDZQSB-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(OC2CCCCC2)cc1 ZINC000524009630 340645686 /nfs/dbraw/zinc/64/56/86/340645686.db2.gz AYIQHIYEYRZTOT-UHFFFAOYSA-N -1 3 312.369 3.751 20 0 DHADHM COc1ccc(Cl)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234946288 340655260 /nfs/dbraw/zinc/65/52/60/340655260.db2.gz RFBWAVFMWMPROI-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM [O-]c1cccc(CNCCCC(F)(F)F)c1Br ZINC000315971285 340677672 /nfs/dbraw/zinc/67/76/72/340677672.db2.gz RBPXZKOAFSDSLI-UHFFFAOYSA-N -1 3 312.129 3.587 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(C)CCC(F)(F)CC2)c1[O-] ZINC000529385250 340753732 /nfs/dbraw/zinc/75/37/32/340753732.db2.gz DVABUQZILUCRQZ-UHFFFAOYSA-N -1 3 311.328 3.749 20 0 DHADHM [O-]c1cc(CN2CC(Cc3ccco3)C2)cc(C(F)(F)F)c1 ZINC000529649002 340766706 /nfs/dbraw/zinc/76/67/06/340766706.db2.gz MIODEDYWYVNJQQ-UHFFFAOYSA-N -1 3 311.303 3.679 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000530009473 340776142 /nfs/dbraw/zinc/77/61/42/340776142.db2.gz BRADHMBHNOJIBT-NSHDSACASA-N -1 3 309.356 3.531 20 0 DHADHM COc1ccc2nc(C(=O)Nc3ccc(C)cc3[O-])ccc2c1 ZINC000125424125 340804079 /nfs/dbraw/zinc/80/40/79/340804079.db2.gz XMIVEYKIELWEON-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM C[C@H]1CCc2sc(C(=O)Nc3cccc([O-])c3F)cc2C1 ZINC000128287946 340865529 /nfs/dbraw/zinc/86/55/29/340865529.db2.gz HGOKTQVWDFXZBI-VIFPVBQESA-N -1 3 305.374 3.970 20 0 DHADHM CCc1cccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c1[O-] ZINC000539864476 340907604 /nfs/dbraw/zinc/90/76/04/340907604.db2.gz IQICKRCURFRVJZ-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCOc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128726983 340910250 /nfs/dbraw/zinc/91/02/50/340910250.db2.gz ACVJXQAJZLIVBN-DHZHZOJOSA-N -1 3 301.317 3.582 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000068789193 340931532 /nfs/dbraw/zinc/93/15/32/340931532.db2.gz OWCTVYSCDUQNHX-UHFFFAOYSA-N -1 3 321.323 3.574 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C)c3ccccc32)c1 ZINC000542682967 341017132 /nfs/dbraw/zinc/01/71/32/341017132.db2.gz XKCQKHVFAMYCQT-CYBMUJFWSA-N -1 3 311.381 3.945 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1cccc(CC)c1[O-] ZINC000543749297 341056813 /nfs/dbraw/zinc/05/68/13/341056813.db2.gz SGOBLEIYOKHKMK-UHFFFAOYSA-N -1 3 307.434 3.624 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3)no2)c1[O-] ZINC000544085019 341069777 /nfs/dbraw/zinc/06/97/77/341069777.db2.gz AXQOBHJHKGUFHT-UHFFFAOYSA-N -1 3 323.352 3.630 20 0 DHADHM CCOc1c(F)cccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072507368 341088171 /nfs/dbraw/zinc/08/81/71/341088171.db2.gz HVCKVCQUWPSDCP-UHFFFAOYSA-N -1 3 313.250 3.894 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1sccc1OC(F)F ZINC000072701087 341099664 /nfs/dbraw/zinc/09/96/64/341099664.db2.gz HUNJGWUGISIDMD-UHFFFAOYSA-N -1 3 319.716 3.961 20 0 DHADHM CC[C@H](C)CN(C)Cc1ccc(OC)c([O-])c1Br ZINC000545550171 341129964 /nfs/dbraw/zinc/12/99/64/341129964.db2.gz UEAPVXJCKSDBNQ-JTQLQIEISA-N -1 3 316.239 3.641 20 0 DHADHM CCc1cccc(C(=O)N2CCSC(CC)(CC)C2)c1[O-] ZINC000545955587 341148291 /nfs/dbraw/zinc/14/82/91/341148291.db2.gz WMZQULZQZPKBQR-UHFFFAOYSA-N -1 3 307.459 3.702 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000133029513 341152168 /nfs/dbraw/zinc/15/21/68/341152168.db2.gz PMKJBELHZGLZDM-UHFFFAOYSA-N -1 3 303.343 3.514 20 0 DHADHM C[C@H]1C[C@@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000546511139 341171625 /nfs/dbraw/zinc/17/16/25/341171625.db2.gz XOJGAYFAJMBBBW-FZMZJTMJSA-N -1 3 310.353 3.878 20 0 DHADHM Cc1nc(C(C)C)sc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000546589635 341173675 /nfs/dbraw/zinc/17/36/75/341173675.db2.gz TVNCXHSWUVUNNX-UHFFFAOYSA-N -1 3 301.371 3.998 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000077612550 341227351 /nfs/dbraw/zinc/22/73/51/341227351.db2.gz SYZWGEGKRISERE-ZJUUUORDSA-N -1 3 305.736 3.927 20 0 DHADHM COc1cc(OC)c(NC(=O)c2cccc(C)c2[O-])cc1Cl ZINC000078282229 341239648 /nfs/dbraw/zinc/23/96/48/341239648.db2.gz FAEMAHGMMIPQEV-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136067984 341252256 /nfs/dbraw/zinc/25/22/56/341252256.db2.gz DMKCWCLNIZMNNO-ZDUSSCGKSA-N -1 3 317.816 3.726 20 0 DHADHM COc1ccc(SCCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000136079924 341252486 /nfs/dbraw/zinc/25/24/86/341252486.db2.gz LTHZWQHPPOEFLM-UHFFFAOYSA-N -1 3 317.410 3.830 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1Cl ZINC000548478252 341262815 /nfs/dbraw/zinc/26/28/15/341262815.db2.gz NSCZMZINJVXTAR-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000550548078 341318518 /nfs/dbraw/zinc/31/85/18/341318518.db2.gz LPJGHKGJRVKZKH-GFCCVEGCSA-N -1 3 303.789 3.921 20 0 DHADHM Cc1cccc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)n1 ZINC000551332072 341338869 /nfs/dbraw/zinc/33/88/69/341338869.db2.gz FDEJGRPAUONFES-HNNXBMFYSA-N -1 3 304.340 3.711 20 0 DHADHM Cc1nsc(NC2CC2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000551898008 341354450 /nfs/dbraw/zinc/35/44/50/341354450.db2.gz MEGIHHAQXNEBJJ-UHFFFAOYSA-N -1 3 323.805 3.637 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1[O-] ZINC000552069293 341367192 /nfs/dbraw/zinc/36/71/92/341367192.db2.gz MZKZSUFDSAJZLW-UHFFFAOYSA-N -1 3 322.364 3.647 20 0 DHADHM CSc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000552069268 341367211 /nfs/dbraw/zinc/36/72/11/341367211.db2.gz LXFGTSIMZSQWEL-UHFFFAOYSA-N -1 3 301.367 3.569 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1[O-] ZINC000552069083 341367318 /nfs/dbraw/zinc/36/73/18/341367318.db2.gz ASTLYWXLKOACKI-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM CCC[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000248723720 341385166 /nfs/dbraw/zinc/38/51/66/341385166.db2.gz MPCYNERDFZNKEJ-RBSFLKMASA-N -1 3 317.429 3.828 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)o1 ZINC000552953071 341410253 /nfs/dbraw/zinc/41/02/53/341410253.db2.gz XESWADGNIHVZFY-ZDUSSCGKSA-N -1 3 315.394 3.781 20 0 DHADHM CCc1cc(C(=O)NCc2cc(-c3ccccc3)no2)ccc1[O-] ZINC000553313322 341424893 /nfs/dbraw/zinc/42/48/93/341424893.db2.gz GNPJNBKHDCWDJW-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM O=C([O-])[C@H]1CC[C@H](CNCc2ccc(Cl)cc2Cl)CC1 ZINC000253127872 341447281 /nfs/dbraw/zinc/44/72/81/341447281.db2.gz MQAKSDVKMJGASA-XYPYZODXSA-N -1 3 316.228 3.974 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000554444634 341454468 /nfs/dbraw/zinc/45/44/68/341454468.db2.gz LPRQTEFTTRBSRF-MRXNPFEDSA-N -1 3 311.381 3.847 20 0 DHADHM Cc1nc(CC2CC2)sc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000564610428 341504992 /nfs/dbraw/zinc/50/49/92/341504992.db2.gz NOHDLFDHRKEOCF-UHFFFAOYSA-N -1 3 313.382 3.827 20 0 DHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152844096 341508364 /nfs/dbraw/zinc/50/83/64/341508364.db2.gz USMWBMOYXJPNRT-IUODEOHRSA-N -1 3 308.397 3.642 20 0 DHADHM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153435723 341540194 /nfs/dbraw/zinc/54/01/94/341540194.db2.gz OUSMKQHDXYLHQO-VIFPVBQESA-N -1 3 308.790 3.560 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000404859786 341574420 /nfs/dbraw/zinc/57/44/20/341574420.db2.gz UIOWRMITEYTNPW-KRWDZBQOSA-N -1 3 319.401 3.564 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)c(F)c1F ZINC000153628890 341575911 /nfs/dbraw/zinc/57/59/11/341575911.db2.gz URFKHPLVSSADBL-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM COc1cccc(Cl)c1CC(=O)Nc1c(C)cccc1[O-] ZINC000154635730 341592776 /nfs/dbraw/zinc/59/27/76/341592776.db2.gz VOLKEORHRVCTGO-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM Cc1ncc(Cl)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000157143341 341633235 /nfs/dbraw/zinc/63/32/35/341633235.db2.gz RGGSVVKXQCRSHA-UHFFFAOYSA-N -1 3 319.792 3.694 20 0 DHADHM CCCc1nc(C)c(C(=O)Nc2cccc(C(C)=O)c2[O-])s1 ZINC000568779492 341681365 /nfs/dbraw/zinc/68/13/65/341681365.db2.gz LGSMVDPCULKSLW-UHFFFAOYSA-N -1 3 318.398 3.565 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000577140032 341889782 /nfs/dbraw/zinc/88/97/82/341889782.db2.gz OQDIXEZGMUDKDJ-XHDPSFHLSA-N -1 3 317.335 3.519 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]cc1-c1ccc(F)cc1 ZINC000178326418 341951732 /nfs/dbraw/zinc/95/17/32/341951732.db2.gz AXQACSDBQMMEMU-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM O=S(=O)([N-][C@@H]1CCC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000486697037 518202895 /nfs/dbraw/zinc/20/28/95/518202895.db2.gz RQQFJGWBIQVDEZ-HUUCEWRRSA-N -1 3 321.467 3.753 20 0 DHADHM CC(C)(C)c1cnc([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000338227371 519075669 /nfs/dbraw/zinc/07/56/69/519075669.db2.gz UFKCQAMHCWPATF-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2ccc(F)c(Cl)c2F)s1 ZINC000182777641 519890531 /nfs/dbraw/zinc/89/05/31/519890531.db2.gz HMFWOBFOXBJCSU-UHFFFAOYSA-N -1 3 317.748 3.845 20 0 DHADHM CCC[C@@H](C(=O)N1CCCc2cccc([O-])c21)c1ccccn1 ZINC000339346574 520581432 /nfs/dbraw/zinc/58/14/32/520581432.db2.gz CGVCZZXNWWQCHJ-OAHLLOKOSA-N -1 3 310.397 3.650 20 0 DHADHM CC[C@H](NCc1cccc([O-])c1Cl)c1c(C)nn(C)c1C ZINC000339286573 522656701 /nfs/dbraw/zinc/65/67/01/522656701.db2.gz MSYCUOKJYYKERI-ZDUSSCGKSA-N -1 3 307.825 3.637 20 0 DHADHM Cc1ccccc1NC1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000368876566 525266343 /nfs/dbraw/zinc/26/63/43/525266343.db2.gz QWEKUBVBCVYTAU-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM Cc1ccc2c(CN3CC[C@@H](C)C(F)(F)C3)ccc([O-])c2n1 ZINC000338352066 526130260 /nfs/dbraw/zinc/13/02/60/526130260.db2.gz FGAFYRPWMAAGJP-LLVKDONJSA-N -1 3 306.356 3.726 20 0 DHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338883002 526234402 /nfs/dbraw/zinc/23/44/02/526234402.db2.gz LBFHFOXNNHRIJE-SNVBAGLBSA-N -1 3 313.319 3.816 20 0 DHADHM [O-]c1ccccc1-c1nc(COc2ccc(Cl)cc2)no1 ZINC000040542132 526368557 /nfs/dbraw/zinc/36/85/57/526368557.db2.gz LYOSRSPBMXNHFT-UHFFFAOYSA-N -1 3 302.717 3.675 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4C[C@@H]4c4ccccc4)no3)n[n-]2)c1 ZINC000338074330 526561167 /nfs/dbraw/zinc/56/11/67/526561167.db2.gz QHQFEGOYWOYWFF-OLZOCXBDSA-N -1 3 318.336 3.991 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4C[C@@H]4c4ccccc4)no3)[n-]n2)c1 ZINC000338074330 526561174 /nfs/dbraw/zinc/56/11/74/526561174.db2.gz QHQFEGOYWOYWFF-OLZOCXBDSA-N -1 3 318.336 3.991 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4C[C@H]4c4ccccc4)no3)n[n-]2)c1 ZINC000338074336 526561267 /nfs/dbraw/zinc/56/12/67/526561267.db2.gz QHQFEGOYWOYWFF-QWHCGFSZSA-N -1 3 318.336 3.991 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4C[C@H]4c4ccccc4)no3)[n-]n2)c1 ZINC000338074336 526561273 /nfs/dbraw/zinc/56/12/73/526561273.db2.gz QHQFEGOYWOYWFF-QWHCGFSZSA-N -1 3 318.336 3.991 20 0 DHADHM O=C(CCc1c[nH]c2ccccc12)N1CCCc2cccc([O-])c21 ZINC000170873030 526577185 /nfs/dbraw/zinc/57/71/85/526577185.db2.gz XFZACUPHSWVMEV-UHFFFAOYSA-N -1 3 320.392 3.786 20 0 DHADHM Cc1sc2nc(-c3ccnc(OC(F)F)c3)[n-]c(=O)c2c1C ZINC000337672511 526888314 /nfs/dbraw/zinc/88/83/14/526888314.db2.gz VWLBZCUVZGRWBA-UHFFFAOYSA-N -1 3 323.324 3.677 20 0 DHADHM O=C(Nc1ccccc1[O-])c1csc(CCc2ccccc2)n1 ZINC000337375626 527428945 /nfs/dbraw/zinc/42/89/45/527428945.db2.gz AFMVNNIYNJGSIE-UHFFFAOYSA-N -1 3 324.405 3.886 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(Cl)ccc1F ZINC000182709437 527528381 /nfs/dbraw/zinc/52/83/81/527528381.db2.gz RGQCZVSYHXVODU-UHFFFAOYSA-N -1 3 322.771 3.828 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(Cl)cc1F ZINC000336888098 527533371 /nfs/dbraw/zinc/53/33/71/527533371.db2.gz LEWJZNJPVBATCF-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM CCc1nc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)cs1 ZINC000273810122 536143731 /nfs/dbraw/zinc/14/37/31/536143731.db2.gz IRMDYCUMWWDHQD-UHFFFAOYSA-N -1 3 315.398 3.669 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2ccc(Cl)s2)n1 ZINC000273555031 536154456 /nfs/dbraw/zinc/15/44/56/536154456.db2.gz YGJPPLNSGFZGEP-SNVBAGLBSA-N -1 3 311.838 3.700 20 0 DHADHM c1ccc([C@@H](CC2CC2)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823773574 599053935 /nfs/dbraw/zinc/05/39/35/599053935.db2.gz WEMOTDNTSBZIAA-QGZVFWFLSA-N -1 3 305.385 3.820 20 0 DHADHM C[C@@H](CNc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000820280473 599197031 /nfs/dbraw/zinc/19/70/31/599197031.db2.gz HEWFHWQUCMFKCH-NSHDSACASA-N -1 3 313.792 3.736 20 0 DHADHM C[C@@H](CNc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000820280473 599197036 /nfs/dbraw/zinc/19/70/36/599197036.db2.gz HEWFHWQUCMFKCH-NSHDSACASA-N -1 3 313.792 3.736 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737180111 599233601 /nfs/dbraw/zinc/23/36/01/599233601.db2.gz PBMHLSQZLMXROE-MNOVXSKESA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737180111 599233603 /nfs/dbraw/zinc/23/36/03/599233603.db2.gz PBMHLSQZLMXROE-MNOVXSKESA-N -1 3 323.853 3.606 20 0 DHADHM Cc1c(NC(=O)C[C@@H](C)CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822066539 607296754 /nfs/dbraw/zinc/29/67/54/607296754.db2.gz FYJLBNRUDZLJPK-LLVKDONJSA-N -1 3 315.421 3.576 20 0 DHADHM Cc1c(NC(=O)C[C@@H](C)CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822066539 607296755 /nfs/dbraw/zinc/29/67/55/607296755.db2.gz FYJLBNRUDZLJPK-LLVKDONJSA-N -1 3 315.421 3.576 20 0 DHADHM C[C@@H](Sc1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193346 599289684 /nfs/dbraw/zinc/28/96/84/599289684.db2.gz PMJXWCFOQBQKSI-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193346 599289686 /nfs/dbraw/zinc/28/96/86/599289686.db2.gz PMJXWCFOQBQKSI-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM c1csc(-c2cccc(Nc3ccc(-c4nnn[n-]4)cn3)c2)c1 ZINC000738419854 598247572 /nfs/dbraw/zinc/24/75/72/598247572.db2.gz RXFCLWCYHFCNNS-UHFFFAOYSA-N -1 3 320.381 3.734 20 0 DHADHM c1csc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cn3)c2)c1 ZINC000738419854 598247573 /nfs/dbraw/zinc/24/75/73/598247573.db2.gz RXFCLWCYHFCNNS-UHFFFAOYSA-N -1 3 320.381 3.734 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000736335171 598277853 /nfs/dbraw/zinc/27/78/53/598277853.db2.gz YNRPXRIQDONCGE-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000736335171 598277854 /nfs/dbraw/zinc/27/78/54/598277854.db2.gz YNRPXRIQDONCGE-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM Clc1cccc(SCc2ccccc2-c2nnn[n-]2)c1 ZINC000737574410 598294184 /nfs/dbraw/zinc/29/41/84/598294184.db2.gz KAGHORQKWSLIPE-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1cccc(SCc2ccccc2-c2nn[n-]n2)c1 ZINC000737574410 598294185 /nfs/dbraw/zinc/29/41/85/598294185.db2.gz KAGHORQKWSLIPE-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Cc1sc(NC(=O)C[C@@H](C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000737563741 598495214 /nfs/dbraw/zinc/49/52/14/598495214.db2.gz STKWIMVETXOFAO-VIFPVBQESA-N -1 3 321.450 3.556 20 0 DHADHM Cc1sc(NC(=O)C[C@@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000737563741 598495215 /nfs/dbraw/zinc/49/52/15/598495215.db2.gz STKWIMVETXOFAO-VIFPVBQESA-N -1 3 321.450 3.556 20 0 DHADHM c1ccc2c(c1)nccc2SCc1ccc(-c2nnn[n-]2)cc1 ZINC000738435927 598504781 /nfs/dbraw/zinc/50/47/81/598504781.db2.gz FHTVBAXBINSOMI-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2c(c1)nccc2SCc1ccc(-c2nn[n-]n2)cc1 ZINC000738435927 598504782 /nfs/dbraw/zinc/50/47/82/598504782.db2.gz FHTVBAXBINSOMI-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM Clc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737573958 598506805 /nfs/dbraw/zinc/50/68/05/598506805.db2.gz IDOMXEBAXDNDJL-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737573958 598506806 /nfs/dbraw/zinc/50/68/06/598506806.db2.gz IDOMXEBAXDNDJL-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000737584570 598629471 /nfs/dbraw/zinc/62/94/71/598629471.db2.gz SRBJDOADXKFAML-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000737584570 598629473 /nfs/dbraw/zinc/62/94/73/598629473.db2.gz SRBJDOADXKFAML-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000737342190 598653361 /nfs/dbraw/zinc/65/33/61/598653361.db2.gz MNBJKANNRIDAIY-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000737342190 598653363 /nfs/dbraw/zinc/65/33/63/598653363.db2.gz MNBJKANNRIDAIY-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Fc1ccc(COc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737650305 598674803 /nfs/dbraw/zinc/67/48/03/598674803.db2.gz QLZKHQUBXCKORZ-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1ccc(COc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737650305 598674804 /nfs/dbraw/zinc/67/48/04/598674804.db2.gz QLZKHQUBXCKORZ-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737659191 598695315 /nfs/dbraw/zinc/69/53/15/598695315.db2.gz AGMAEAVMXNJFKZ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737659191 598695316 /nfs/dbraw/zinc/69/53/16/598695316.db2.gz AGMAEAVMXNJFKZ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Cc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1F ZINC000737265667 598791764 /nfs/dbraw/zinc/79/17/64/598791764.db2.gz YTZBDWFJRHZOSE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC000737265667 598791765 /nfs/dbraw/zinc/79/17/65/598791765.db2.gz YTZBDWFJRHZOSE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CSc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821982963 599351030 /nfs/dbraw/zinc/35/10/30/599351030.db2.gz CBJGCOOBNDPCMR-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM CSc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821982963 599351036 /nfs/dbraw/zinc/35/10/36/599351036.db2.gz CBJGCOOBNDPCMR-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM C[C@@H](Nc1nccc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461580 599354660 /nfs/dbraw/zinc/35/46/60/599354660.db2.gz NEKINVKBLNMOGF-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1nccc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461580 599354662 /nfs/dbraw/zinc/35/46/62/599354662.db2.gz NEKINVKBLNMOGF-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1nccc2sccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820461579 599355238 /nfs/dbraw/zinc/35/52/38/599355238.db2.gz NEKINVKBLNMOGF-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1nccc2sccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820461579 599355241 /nfs/dbraw/zinc/35/52/41/599355241.db2.gz NEKINVKBLNMOGF-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821138856 599367648 /nfs/dbraw/zinc/36/76/48/599367648.db2.gz JAVMCMDITSANAY-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821138856 599367649 /nfs/dbraw/zinc/36/76/49/599367649.db2.gz JAVMCMDITSANAY-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1ccc(Cl)cc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822239756 599389361 /nfs/dbraw/zinc/38/93/61/599389361.db2.gz CMBNXLNETFGMTE-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc(Cl)cc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822239756 599389363 /nfs/dbraw/zinc/38/93/63/599389363.db2.gz CMBNXLNETFGMTE-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822228881 599491148 /nfs/dbraw/zinc/49/11/48/599491148.db2.gz HRZGKMNRFNZLEY-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822228881 599491151 /nfs/dbraw/zinc/49/11/51/599491151.db2.gz HRZGKMNRFNZLEY-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM CC[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(F)cc1 ZINC000736391744 599522760 /nfs/dbraw/zinc/52/27/60/599522760.db2.gz NFGWLJLPVXWIAP-CYBMUJFWSA-N -1 3 315.377 3.644 20 0 DHADHM CC[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(F)cc1 ZINC000736391744 599522763 /nfs/dbraw/zinc/52/27/63/599522763.db2.gz NFGWLJLPVXWIAP-CYBMUJFWSA-N -1 3 315.377 3.644 20 0 DHADHM COc1ccccc1[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000738127513 599773944 /nfs/dbraw/zinc/77/39/44/599773944.db2.gz KWRWUVSRLDRGQV-QGZVFWFLSA-N -1 3 311.381 3.731 20 0 DHADHM COc1ccccc1[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000738126659 599992870 /nfs/dbraw/zinc/99/28/70/599992870.db2.gz HZWUUMHATAIMFH-OAHLLOKOSA-N -1 3 315.369 3.714 20 0 DHADHM Cc1cc(CN2CCC(c3ccccc3C)CC2)oc1C(=O)[O-] ZINC000578756364 600080893 /nfs/dbraw/zinc/08/08/93/600080893.db2.gz QGHNMEJYWDYYQO-UHFFFAOYSA-N -1 3 313.397 3.974 20 0 DHADHM CCC[C@@](C)(NCc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000736962488 600321693 /nfs/dbraw/zinc/32/16/93/600321693.db2.gz LBRCEJKXCGMKRN-MRXNPFEDSA-N -1 3 310.463 3.924 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1cccc(C(=O)[O-])c1)CCC2 ZINC000263468256 600335984 /nfs/dbraw/zinc/33/59/84/600335984.db2.gz KPYGTYHAIFSKPQ-OAHLLOKOSA-N -1 3 316.426 3.659 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000050509338 600427545 /nfs/dbraw/zinc/42/75/45/600427545.db2.gz JZWXHMMINYKKLW-BONVTDFDSA-N -1 3 307.752 3.956 20 0 DHADHM Cc1cc(C)cc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832875973 600747716 /nfs/dbraw/zinc/74/77/16/600747716.db2.gz ZLZVLTJCIQQWFF-GUYCJALGSA-N -1 3 301.361 3.919 20 0 DHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccoc2C(=O)[O-])C1 ZINC000581553729 600836089 /nfs/dbraw/zinc/83/60/89/600836089.db2.gz BVEOHZMQNXKUOZ-XHDPSFHLSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccoc2C(=O)[O-])C1 ZINC000579483881 600840092 /nfs/dbraw/zinc/84/00/92/600840092.db2.gz CCSSTHBXWIWZKG-ABAIWWIYSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H](CSc3ccccc3)C2)o1 ZINC000516575949 600846648 /nfs/dbraw/zinc/84/66/48/600846648.db2.gz IGOKWGDQASAHOJ-ZDUSSCGKSA-N -1 3 317.410 3.592 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000578660341 600973170 /nfs/dbraw/zinc/97/31/70/600973170.db2.gz CRMORGCTCAWLER-JKSUJKDBSA-N -1 3 321.417 3.538 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000577226553 600973203 /nfs/dbraw/zinc/97/32/03/600973203.db2.gz LSENFYWSPKQRLO-JKSUJKDBSA-N -1 3 321.417 3.538 20 0 DHADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000519613056 601117857 /nfs/dbraw/zinc/11/78/57/601117857.db2.gz WXFRCSPLMUQRIB-MEDUHNTESA-N -1 3 303.333 3.700 20 0 DHADHM COc1ccc(Cl)cc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000832367559 601140885 /nfs/dbraw/zinc/14/08/85/601140885.db2.gz IHRXGBSXQXEULV-MRXNPFEDSA-N -1 3 319.788 3.606 20 0 DHADHM C[C@](NCc1csc(C2CCCCC2)n1)(C(=O)[O-])C1CC1 ZINC000827741672 601171805 /nfs/dbraw/zinc/17/18/05/601171805.db2.gz PKJIIHWQUZWJML-MRXNPFEDSA-N -1 3 308.447 3.534 20 0 DHADHM Cc1nc(C)c(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000566510368 601432757 /nfs/dbraw/zinc/43/27/57/601432757.db2.gz PLAOKGSKFUKYCP-HUUCEWRRSA-N -1 3 322.474 3.615 20 0 DHADHM Cc1cc(CN2CCC(c3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000832882266 601451807 /nfs/dbraw/zinc/45/18/07/601451807.db2.gz BGYOZVWOUGRBGB-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM CSCc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000832770690 601496480 /nfs/dbraw/zinc/49/64/80/601496480.db2.gz AQECJYKOFJTRCT-INIZCTEOSA-N -1 3 319.401 3.604 20 0 DHADHM O=C([O-])CN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000238161807 601548340 /nfs/dbraw/zinc/54/83/40/601548340.db2.gz QSYNBPDBNFTNIB-INIZCTEOSA-N -1 3 301.773 3.524 20 0 DHADHM O=C([O-])CC1(NCc2coc(-c3ccccc3)n2)CCCCC1 ZINC000833205935 601562362 /nfs/dbraw/zinc/56/23/62/601562362.db2.gz QZCULPIKFCJZSU-UHFFFAOYSA-N -1 3 314.385 3.609 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC000833313486 601630155 /nfs/dbraw/zinc/63/01/55/601630155.db2.gz WWUXOFOHUZXGNC-AWEZNQCLSA-N -1 3 317.335 3.653 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000827740672 601850179 /nfs/dbraw/zinc/85/01/79/601850179.db2.gz ALLZBXBJSOQQNM-LLVKDONJSA-N -1 3 321.323 3.837 20 0 DHADHM Cc1cccnc1[C@@H](NCc1ccc(C(=O)[O-])s1)C(C)C ZINC000832983273 601958603 /nfs/dbraw/zinc/95/86/03/601958603.db2.gz AIJBXJQQEGDNMA-AWEZNQCLSA-N -1 3 304.415 3.637 20 0 DHADHM c1csc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826512524 607644843 /nfs/dbraw/zinc/64/48/43/607644843.db2.gz DLUGQDPJSAQIEJ-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM c1csc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826512524 607644845 /nfs/dbraw/zinc/64/48/45/607644845.db2.gz DLUGQDPJSAQIEJ-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM c1cc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cs1 ZINC000826512639 607645135 /nfs/dbraw/zinc/64/51/35/607645135.db2.gz IIQVXLYPIQUYAY-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM c1cc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000826512639 607645137 /nfs/dbraw/zinc/64/51/37/607645137.db2.gz IIQVXLYPIQUYAY-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(-c2ccccc2)o1 ZINC000827717208 604292431 /nfs/dbraw/zinc/29/24/31/604292431.db2.gz FKFJURKGHPYUQB-ZFWWWQNUSA-N -1 3 314.385 3.740 20 0 DHADHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000833226968 604784933 /nfs/dbraw/zinc/78/49/33/604784933.db2.gz YWELVTBDJWLOGK-UHFFFAOYSA-N -1 3 318.804 3.602 20 0 DHADHM CC(C)CN(CCC(=O)[O-])Cc1ncc(-c2ccccc2)s1 ZINC000833486188 604864684 /nfs/dbraw/zinc/86/46/84/604864684.db2.gz AUHRUQVDIUCVTL-UHFFFAOYSA-N -1 3 318.442 3.743 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000827718510 604994312 /nfs/dbraw/zinc/99/43/12/604994312.db2.gz UFZHFIVHSXJBHU-GUYCJALGSA-N -1 3 312.413 3.856 20 0 DHADHM CCc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)s1 ZINC000833670949 605002839 /nfs/dbraw/zinc/00/28/39/605002839.db2.gz PWJXWEKZBBTLEK-LBPRGKRZSA-N -1 3 319.426 3.625 20 0 DHADHM CC(C)N(Cc1ccccc1F)Cc1ccccc1CC(=O)[O-] ZINC000833498267 605064547 /nfs/dbraw/zinc/06/45/47/605064547.db2.gz LFAQFDKDEQXOKW-UHFFFAOYSA-N -1 3 315.388 3.863 20 0 DHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825397908 605118025 /nfs/dbraw/zinc/11/80/25/605118025.db2.gz ROBPXMULSRTNIA-RYUDHWBXSA-N -1 3 304.415 3.928 20 0 DHADHM C[C@@H]1C[C@H](C)CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000572370633 605203210 /nfs/dbraw/zinc/20/32/10/605203210.db2.gz YVHSXJBNBHGADX-BETUJISGSA-N -1 3 314.385 3.518 20 0 DHADHM CC(C)N(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC000833499847 605220327 /nfs/dbraw/zinc/22/03/27/605220327.db2.gz ZTAJFANTNCIVIP-UHFFFAOYSA-N -1 3 302.374 3.659 20 0 DHADHM Cc1nc([C@@H](C)NCCc2ccc(NC(=O)[O-])cc2)c(C)s1 ZINC000830708762 605513554 /nfs/dbraw/zinc/51/35/54/605513554.db2.gz CROGZUQHMYYPNS-SNVBAGLBSA-N -1 3 319.430 3.743 20 0 DHADHM CC(C)c1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820192162 606028475 /nfs/dbraw/zinc/02/84/75/606028475.db2.gz FPBXEVLUZGQECE-LBPRGKRZSA-N -1 3 308.389 3.558 20 0 DHADHM CC(C)c1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820192162 606028482 /nfs/dbraw/zinc/02/84/82/606028482.db2.gz FPBXEVLUZGQECE-LBPRGKRZSA-N -1 3 308.389 3.558 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820826239 606137692 /nfs/dbraw/zinc/13/76/92/606137692.db2.gz LOBBPQIAMYCUAA-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820826239 606137694 /nfs/dbraw/zinc/13/76/94/606137694.db2.gz LOBBPQIAMYCUAA-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM CC(C)CCCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820072311 606266210 /nfs/dbraw/zinc/26/62/10/606266210.db2.gz FTZUTKWCLKVQFO-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM CC(C)CCCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820072311 606266212 /nfs/dbraw/zinc/26/62/12/606266212.db2.gz FTZUTKWCLKVQFO-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1ccccc1-c1nnn[n-]1)CC2 ZINC000822786730 606329745 /nfs/dbraw/zinc/32/97/45/606329745.db2.gz NWSUGHYSJQVEQS-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1ccccc1-c1nn[n-]n1)CC2 ZINC000822786730 606329747 /nfs/dbraw/zinc/32/97/47/606329747.db2.gz NWSUGHYSJQVEQS-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709803 606387003 /nfs/dbraw/zinc/38/70/03/606387003.db2.gz PRVCFVLZLHIUEF-VURMDHGXSA-N -1 3 311.395 3.708 20 0 DHADHM CCCCOc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821077437 606454987 /nfs/dbraw/zinc/45/49/87/606454987.db2.gz GAEXDIDXLAVVEK-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM CCCCOc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821077437 606454988 /nfs/dbraw/zinc/45/49/88/606454988.db2.gz GAEXDIDXLAVVEK-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051085 606603279 /nfs/dbraw/zinc/60/32/79/606603279.db2.gz KQWQPVJILJNBBZ-LBPRGKRZSA-N -1 3 316.405 3.543 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051085 606603280 /nfs/dbraw/zinc/60/32/80/606603280.db2.gz KQWQPVJILJNBBZ-LBPRGKRZSA-N -1 3 316.405 3.543 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822774488 606632931 /nfs/dbraw/zinc/63/29/31/606632931.db2.gz KFXRMJRMRSNCQG-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822774488 606632932 /nfs/dbraw/zinc/63/29/32/606632932.db2.gz KFXRMJRMRSNCQG-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Clc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822579090 606636577 /nfs/dbraw/zinc/63/65/77/606636577.db2.gz VQCSGNYZBJMWPJ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822579090 606636578 /nfs/dbraw/zinc/63/65/78/606636578.db2.gz VQCSGNYZBJMWPJ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CC(C)(C)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819957793 606641415 /nfs/dbraw/zinc/64/14/15/606641415.db2.gz DUAXLYMHDWPSKW-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819957793 606641416 /nfs/dbraw/zinc/64/14/16/606641416.db2.gz DUAXLYMHDWPSKW-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000822444347 606853278 /nfs/dbraw/zinc/85/32/78/606853278.db2.gz MWZYRHTXGXNPLA-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000822444347 606853280 /nfs/dbraw/zinc/85/32/80/606853280.db2.gz MWZYRHTXGXNPLA-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000820556110 607009766 /nfs/dbraw/zinc/00/97/66/607009766.db2.gz RLVWFHUEUVRRSX-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000820556110 607009768 /nfs/dbraw/zinc/00/97/68/607009768.db2.gz RLVWFHUEUVRRSX-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM CC(C)(C)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819959016 607251674 /nfs/dbraw/zinc/25/16/74/607251674.db2.gz UWZVGEHKQRRSJC-SREVYHEPSA-N -1 3 311.414 3.791 20 0 DHADHM CC(C)(C)c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819959016 607251675 /nfs/dbraw/zinc/25/16/75/607251675.db2.gz UWZVGEHKQRRSJC-SREVYHEPSA-N -1 3 311.414 3.791 20 0 DHADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000823861799 607883024 /nfs/dbraw/zinc/88/30/24/607883024.db2.gz RAZKTPNEOSTHCU-KTKRTIGZSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000823861799 607883025 /nfs/dbraw/zinc/88/30/25/607883025.db2.gz RAZKTPNEOSTHCU-KTKRTIGZSA-N -1 3 305.366 3.647 20 0 DHADHM Fc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826374037 607915780 /nfs/dbraw/zinc/91/57/80/607915780.db2.gz IWPKPLWZFYOOIT-VMPITWQZSA-N -1 3 317.327 3.724 20 0 DHADHM Fc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826374037 607915781 /nfs/dbraw/zinc/91/57/81/607915781.db2.gz IWPKPLWZFYOOIT-VMPITWQZSA-N -1 3 317.327 3.724 20 0 DHADHM FC1(F)CCC(Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826370419 608053048 /nfs/dbraw/zinc/05/30/48/608053048.db2.gz RTUNSIBQQDIKJQ-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC(Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826370419 608053049 /nfs/dbraw/zinc/05/30/49/608053049.db2.gz RTUNSIBQQDIKJQ-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1C(C)C ZINC000826170730 608319384 /nfs/dbraw/zinc/31/93/84/608319384.db2.gz NFDIPQYOOUBJSZ-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1C(C)C ZINC000826170730 608319386 /nfs/dbraw/zinc/31/93/86/608319386.db2.gz NFDIPQYOOUBJSZ-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM CCCOc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825341799 609173046 /nfs/dbraw/zinc/17/30/46/609173046.db2.gz KHOSQNUYTORDHH-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825341799 609173048 /nfs/dbraw/zinc/17/30/48/609173048.db2.gz KHOSQNUYTORDHH-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1F ZINC000826299623 609255382 /nfs/dbraw/zinc/25/53/82/609255382.db2.gz NDOIWHGUXKAUFE-HNNXBMFYSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC000826299623 609255384 /nfs/dbraw/zinc/25/53/84/609255384.db2.gz NDOIWHGUXKAUFE-HNNXBMFYSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826241141 609273932 /nfs/dbraw/zinc/27/39/32/609273932.db2.gz STBUAAUMTLXBOU-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826241141 609273933 /nfs/dbraw/zinc/27/39/33/609273933.db2.gz STBUAAUMTLXBOU-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824754690 609311011 /nfs/dbraw/zinc/31/10/11/609311011.db2.gz JMGRPFPKIIRYNW-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824754690 609311012 /nfs/dbraw/zinc/31/10/12/609311012.db2.gz JMGRPFPKIIRYNW-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000824753543 609311106 /nfs/dbraw/zinc/31/11/06/609311106.db2.gz DWRNEWZOVRAHCY-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000824753543 609311109 /nfs/dbraw/zinc/31/11/09/609311109.db2.gz DWRNEWZOVRAHCY-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825717410 609346386 /nfs/dbraw/zinc/34/63/86/609346386.db2.gz JXFWOTJOKXIEAA-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825717410 609346388 /nfs/dbraw/zinc/34/63/88/609346388.db2.gz JXFWOTJOKXIEAA-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cscc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826320890 609348333 /nfs/dbraw/zinc/34/83/33/609348333.db2.gz IYRGBLDEJXMXBU-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cscc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826320890 609348334 /nfs/dbraw/zinc/34/83/34/609348334.db2.gz IYRGBLDEJXMXBU-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cc(F)ccc1CSc1ccccc1-c1nnn[n-]1 ZINC000826268717 609488597 /nfs/dbraw/zinc/48/85/97/609488597.db2.gz KKBDWPSJTMXCOP-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cc(F)ccc1CSc1ccccc1-c1nn[n-]n1 ZINC000826268717 609488598 /nfs/dbraw/zinc/48/85/98/609488598.db2.gz KKBDWPSJTMXCOP-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC(C)CC(CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001539569505 948549031 /nfs/dbraw/zinc/54/90/31/948549031.db2.gz LFSGSVVESUILSJ-UHFFFAOYSA-N -1 3 315.421 3.514 20 0 DHADHM CC(C)CC(CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001539569505 948549032 /nfs/dbraw/zinc/54/90/32/948549032.db2.gz LFSGSVVESUILSJ-UHFFFAOYSA-N -1 3 315.421 3.514 20 0 DHADHM CCc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)[O-])c1)CCO2 ZINC001593640284 953639771 /nfs/dbraw/zinc/63/97/71/953639771.db2.gz WHQNJXVFHCSDSP-KRWDZBQOSA-N -1 3 311.381 3.561 20 0 DHADHM C[C@@H]1CCN(CCc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC001589355542 954133624 /nfs/dbraw/zinc/13/36/24/954133624.db2.gz SJSPDEZJMITYPA-PWSUYJOCSA-N -1 3 316.228 3.579 20 0 DHADHM COc1cccc(C2(NCc3ccc(C(=O)[O-])s3)CCC2)c1 ZINC000903692862 956872694 /nfs/dbraw/zinc/87/26/94/956872694.db2.gz QGEUUMLGILRWAT-UHFFFAOYSA-N -1 3 317.410 3.624 20 0 DHADHM O=C([O-])[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000050510082 957493889 /nfs/dbraw/zinc/49/38/89/957493889.db2.gz RNOFCJZOEKHUNF-CQSZACIVSA-N -1 3 310.180 3.909 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc[nH]c1C1CC1 ZINC000339957993 1013168032 /nfs/dbraw/zinc/16/80/32/1013168032.db2.gz AFGIPNNERVGEHF-UHFFFAOYSA-N -1 3 321.174 3.613 20 0 DHADHM C[C@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229299977 960074596 /nfs/dbraw/zinc/07/45/96/960074596.db2.gz SOXQKXIVKFMSDG-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM O=C([O-])C1(CCNC2(c3c(F)cccc3F)CCC2)CCC1 ZINC001574638735 962326689 /nfs/dbraw/zinc/32/66/89/962326689.db2.gz QJJGIWHPPBAEIS-UHFFFAOYSA-N -1 3 309.356 3.579 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC001574680227 962579394 /nfs/dbraw/zinc/57/93/94/962579394.db2.gz VJWGQRZTMOFFNA-NSHDSACASA-N -1 3 316.228 3.723 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263414578 962582478 /nfs/dbraw/zinc/58/24/78/962582478.db2.gz MSEDFQOJQOWRFW-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM CC(C)C[C@@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000263504816 962687047 /nfs/dbraw/zinc/68/70/47/962687047.db2.gz VEZYXNMUZRWSNF-LBPRGKRZSA-N -1 3 324.471 3.708 20 0 DHADHM CCCOCc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263504936 962687634 /nfs/dbraw/zinc/68/76/34/962687634.db2.gz WTNIGULHXKROMX-UHFFFAOYSA-N -1 3 313.397 3.601 20 0 DHADHM C[C@@H]1CCCCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000652369093 1013380103 /nfs/dbraw/zinc/38/01/03/1013380103.db2.gz GZCXUNHPWFKVEW-SNVBAGLBSA-N -1 3 312.207 3.522 20 0 DHADHM O=C(OCc1ccccc1)c1cccc(Br)c1[O-] ZINC000140941822 1013390126 /nfs/dbraw/zinc/39/01/26/1013390126.db2.gz HQAXMQBMESEMDQ-UHFFFAOYSA-N -1 3 307.143 3.512 20 0 DHADHM O=C(NCc1ccc(Oc2ccccc2)cn1)c1ccccc1[O-] ZINC001143578181 1013489280 /nfs/dbraw/zinc/48/92/80/1013489280.db2.gz DFMVTVFRQVKJNM-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccccc2F)cc1 ZINC000426719994 1013498092 /nfs/dbraw/zinc/49/80/92/1013498092.db2.gz KEIFBZFHEIKQKR-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2[O-])C1 ZINC000187970953 1013550105 /nfs/dbraw/zinc/55/01/05/1013550105.db2.gz FIYPYLOTTJUQHR-ZIAGYGMSSA-N -1 3 307.459 3.701 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(CC)cc2[O-])C1 ZINC000187970923 1013550445 /nfs/dbraw/zinc/55/04/45/1013550445.db2.gz FIYPYLOTTJUQHR-KBPBESRZSA-N -1 3 307.459 3.701 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(CC)cc2[O-])C1 ZINC000187970979 1013551192 /nfs/dbraw/zinc/55/11/92/1013551192.db2.gz FIYPYLOTTJUQHR-UONOGXRCSA-N -1 3 307.459 3.701 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000519720711 1013594669 /nfs/dbraw/zinc/59/46/69/1013594669.db2.gz GZRNZKUDVPGBHE-UHFFFAOYSA-N -1 3 322.330 3.971 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC000032605883 1013675217 /nfs/dbraw/zinc/67/52/17/1013675217.db2.gz ZGQZZQOUKXVGBN-UHFFFAOYSA-N -1 3 312.756 3.742 20 0 DHADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000330600619 1013829632 /nfs/dbraw/zinc/82/96/32/1013829632.db2.gz HOYZAOJEKPBWNW-ILWJIGKKSA-N -1 3 317.307 3.553 20 0 DHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000330798751 1013839724 /nfs/dbraw/zinc/83/97/24/1013839724.db2.gz GSQKVBQSZLEFCR-ABAIWWIYSA-N -1 3 311.809 3.825 20 0 DHADHM [O-]c1cccc(CNc2ccc3cn[nH]c3c2)c1Br ZINC000315064258 1013839853 /nfs/dbraw/zinc/83/98/53/1013839853.db2.gz VMROBGWITFXZMK-UHFFFAOYSA-N -1 3 318.174 3.643 20 0 DHADHM [O-]c1cccc(CNc2ccc3c[nH]nc3c2)c1Br ZINC000315064258 1013839862 /nfs/dbraw/zinc/83/98/62/1013839862.db2.gz VMROBGWITFXZMK-UHFFFAOYSA-N -1 3 318.174 3.643 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780366726 1014021594 /nfs/dbraw/zinc/02/15/94/1014021594.db2.gz XNAYLQCZFRADRU-UHFFFAOYSA-N -1 3 315.316 3.873 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cccc(C(F)F)c1 ZINC000780366338 1014064430 /nfs/dbraw/zinc/06/44/30/1014064430.db2.gz VFSQBNPVDBLQDA-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM O=C1CCCN1c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210855734 1014073286 /nfs/dbraw/zinc/07/32/86/1014073286.db2.gz UEFQVRHIDYJVTC-UHFFFAOYSA-N -1 3 302.761 3.916 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2nccc3ccccc32)c2ccccc21 ZINC001605982923 973018744 /nfs/dbraw/zinc/01/87/44/973018744.db2.gz FMMFQTNEPIMMRW-ZWKOTPCHSA-N -1 3 318.376 3.638 20 0 DHADHM O=C([O-])CCN[C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC001606196950 973448469 /nfs/dbraw/zinc/44/84/69/973448469.db2.gz YBRBDJMDYMBPTH-IBGZPJMESA-N -1 3 324.355 3.528 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655361466 1014131192 /nfs/dbraw/zinc/13/11/92/1014131192.db2.gz FDEWLAJYBWSAEP-OAHLLOKOSA-N -1 3 305.393 3.645 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccccc3)nc2)n1 ZINC000068621165 1014152286 /nfs/dbraw/zinc/15/22/86/1014152286.db2.gz KBGVKHCOUXCTAL-ZDUSSCGKSA-N -1 3 320.396 3.567 20 0 DHADHM CN(CCCOc1cccc(Cl)c1)Cc1ccoc1C(=O)[O-] ZINC000566357824 974607178 /nfs/dbraw/zinc/60/71/78/974607178.db2.gz NBDDEPXMVHQFMY-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM [O-]c1c(F)cc(Nc2cnccc2Br)cc1F ZINC001211232928 1014247706 /nfs/dbraw/zinc/24/77/06/1014247706.db2.gz HDMCZTXIPSCBCV-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CCCC[C@@H](C(=O)[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634692635 975273498 /nfs/dbraw/zinc/27/34/98/975273498.db2.gz FSLSVAIJSRPSIM-AWEZNQCLSA-N -1 3 315.335 3.707 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652367033 975516558 /nfs/dbraw/zinc/51/65/58/975516558.db2.gz FIYMMZWQJBDUPU-VXGBXAGGSA-N -1 3 311.809 3.680 20 0 DHADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366741 975516917 /nfs/dbraw/zinc/51/69/17/975516917.db2.gz NAGOBQSPLNLSJY-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000652398506 975520177 /nfs/dbraw/zinc/52/01/77/975520177.db2.gz HXBYCBOPYUCVJV-QGZVFWFLSA-N -1 3 311.381 3.938 20 0 DHADHM CC1(C)[C@@H]2CN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000652426712 975528782 /nfs/dbraw/zinc/52/87/82/975528782.db2.gz HEEJRYVXIIPBPF-NTZNESFSSA-N -1 3 314.212 3.707 20 0 DHADHM CC(C)OCc1ccccc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC001591735886 975730066 /nfs/dbraw/zinc/73/00/66/975730066.db2.gz YIPBUSHNSKCGJB-MRXNPFEDSA-N -1 3 319.426 3.589 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccncc2)no1 ZINC000320413845 1014345046 /nfs/dbraw/zinc/34/50/46/1014345046.db2.gz IFRGZAGPCPFVRQ-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(C)C)c1Cl ZINC000614598338 1014353521 /nfs/dbraw/zinc/35/35/21/1014353521.db2.gz BSYUDSZGLGYSPD-UHFFFAOYSA-N -1 3 310.246 3.626 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(C(F)F)cc1)c1ccsc1 ZINC000580882266 1014418859 /nfs/dbraw/zinc/41/88/59/1014418859.db2.gz HGQHPORYLKJANH-ZDUSSCGKSA-N -1 3 311.353 3.991 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3ccc(O)cc3[O-])CC2)c1C ZINC000891344274 1014461560 /nfs/dbraw/zinc/46/15/60/1014461560.db2.gz SPLKOZQVYLMTBH-UHFFFAOYSA-N -1 3 323.392 3.644 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1C(F)(F)F ZINC000827717324 978964195 /nfs/dbraw/zinc/96/41/95/978964195.db2.gz GMMRDFMMMHISKY-QMTHXVAHSA-N -1 3 324.302 3.577 20 0 DHADHM CCN(C/C=C(\C)C(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000846242447 979419801 /nfs/dbraw/zinc/41/98/01/979419801.db2.gz ZDCUBSLKJKGHRI-UXBLZVDNSA-N -1 3 302.201 3.846 20 0 DHADHM C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC001592884863 979766277 /nfs/dbraw/zinc/76/62/77/979766277.db2.gz DIZINIXATHWCJP-GFCCVEGCSA-N -1 3 319.351 3.726 20 0 DHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128426052 1014617230 /nfs/dbraw/zinc/61/72/30/1014617230.db2.gz CGINRUJOQZRUGW-JTQLQIEISA-N -1 3 321.373 3.659 20 0 DHADHM CC[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC001595276846 980302837 /nfs/dbraw/zinc/30/28/37/980302837.db2.gz MNPMECVPYOHKSV-GJZGRUSLSA-N -1 3 304.777 3.602 20 0 DHADHM CC[C@@](NCc1ccoc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305094 980441972 /nfs/dbraw/zinc/44/19/72/980441972.db2.gz KJWARSZACSNTPM-INIZCTEOSA-N -1 3 307.777 3.721 20 0 DHADHM CC[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901911445 980623707 /nfs/dbraw/zinc/62/37/07/980623707.db2.gz LBLLYZTTWMNXMD-NEPJUHHUSA-N -1 3 304.415 3.686 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000902015445 980693345 /nfs/dbraw/zinc/69/33/45/980693345.db2.gz IYNGFRZKDVZQAN-RNCFNFMXSA-N -1 3 319.298 3.530 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595359956 980746250 /nfs/dbraw/zinc/74/62/50/980746250.db2.gz OCTVJZYHERXWSP-INIZCTEOSA-N -1 3 316.401 3.613 20 0 DHADHM O=C([O-])c1csc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000902131483 980750304 /nfs/dbraw/zinc/75/03/04/980750304.db2.gz PPTKHIVXYRUGCK-ZDUSSCGKSA-N -1 3 323.414 3.912 20 0 DHADHM CCc1oc(CN(C)CCCCc2ccccc2)cc1C(=O)[O-] ZINC000902141233 980753771 /nfs/dbraw/zinc/75/37/71/980753771.db2.gz KFCKFZBAYDXFDA-UHFFFAOYSA-N -1 3 315.413 3.995 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)Cc1cccc(C(=O)[O-])c1 ZINC001595364355 980793139 /nfs/dbraw/zinc/79/31/39/980793139.db2.gz UJDDOWZWLCKEQM-QGZVFWFLSA-N -1 3 313.397 3.977 20 0 DHADHM CCc1oc(CN2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000902326535 980834779 /nfs/dbraw/zinc/83/47/79/980834779.db2.gz PUFCYSCEIVUQQR-UHFFFAOYSA-N -1 3 319.426 3.981 20 0 DHADHM Cc1ccc(SC[C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000902330944 980836319 /nfs/dbraw/zinc/83/63/19/980836319.db2.gz CTARFTAMNBUABK-GFCCVEGCSA-N -1 3 305.399 3.557 20 0 DHADHM CSc1cc(C)ccc1CNCc1csc(C(=O)[O-])c1 ZINC000902349357 980843827 /nfs/dbraw/zinc/84/38/27/980843827.db2.gz ODIGXCYDAPZTMP-UHFFFAOYSA-N -1 3 307.440 3.766 20 0 DHADHM O=C([O-])/C=C/c1ccc(CNCC2(C(F)(F)F)CCCC2)o1 ZINC000902494052 980909364 /nfs/dbraw/zinc/90/93/64/980909364.db2.gz OHSIZOGJIQHFRE-AATRIKPKSA-N -1 3 317.307 3.590 20 0 DHADHM CCc1oc(CN2CCC3(CCSCC3)CC2)cc1C(=O)[O-] ZINC000902496370 980910716 /nfs/dbraw/zinc/91/07/16/980910716.db2.gz HZEDOOYTALLGRT-UHFFFAOYSA-N -1 3 323.458 3.649 20 0 DHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902525850 980922044 /nfs/dbraw/zinc/92/20/44/980922044.db2.gz LZXWKCROWHRYOJ-GHMZBOCLSA-N -1 3 322.792 3.650 20 0 DHADHM O=C([O-])c1cc(CN2CCC[C@H]2CCC2CCCCC2)on1 ZINC000902530587 980923480 /nfs/dbraw/zinc/92/34/80/980923480.db2.gz MNQDYUPFCQYASS-AWEZNQCLSA-N -1 3 306.406 3.698 20 0 DHADHM CCc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000905374188 981097136 /nfs/dbraw/zinc/09/71/36/981097136.db2.gz RRCGKOWQQJJUGB-SFHVURJKSA-N -1 3 312.413 3.683 20 0 DHADHM Cc1cc(C)cc(C2CCN(Cc3cccc(C(=O)[O-])n3)CC2)c1 ZINC000905810217 981162528 /nfs/dbraw/zinc/16/25/28/981162528.db2.gz IRIDJOVJTUPPJO-UHFFFAOYSA-N -1 3 324.424 3.776 20 0 DHADHM CCC[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001595601211 981587335 /nfs/dbraw/zinc/58/73/35/981587335.db2.gz XSVQYJOQSXHUPX-LSDHHAIUSA-N -1 3 313.401 3.547 20 0 DHADHM CC(C)(C)OCc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000933208902 1014750267 /nfs/dbraw/zinc/75/02/67/1014750267.db2.gz BDSAKOYXHRPFBB-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000933208902 1014750272 /nfs/dbraw/zinc/75/02/72/1014750272.db2.gz BDSAKOYXHRPFBB-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM CCOc1cc(CN2CC[C@H](C)[C@H](F)C2)cc(Cl)c1[O-] ZINC000656531892 1014808203 /nfs/dbraw/zinc/80/82/03/1014808203.db2.gz PKKHUPKRCUSGEV-GXFFZTMASA-N -1 3 301.789 3.624 20 0 DHADHM CCCCN1Cc2cccc(N[C@H](CC(C)C)C(=O)[O-])c2C1 ZINC001595750721 982429698 /nfs/dbraw/zinc/42/96/98/982429698.db2.gz BHFZMXUBKVIQPN-QGZVFWFLSA-N -1 3 304.434 3.714 20 0 DHADHM CC[C@@H](C)[C@@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594931550 982567269 /nfs/dbraw/zinc/56/72/69/982567269.db2.gz RLNSGQHKZDLERF-WBMJQRKESA-N -1 3 315.417 3.662 20 0 DHADHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451742178 1014878407 /nfs/dbraw/zinc/87/84/07/1014878407.db2.gz AXAFIJFRTYGYEK-SUMWQHHRSA-N -1 3 313.372 3.684 20 0 DHADHM CS[C@H]1CC[C@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001118253294 982947998 /nfs/dbraw/zinc/94/79/98/982947998.db2.gz IDZHUCWIHZWROS-QWRGUYRKSA-N -1 3 313.850 3.754 20 0 DHADHM CCCc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001596062630 983372318 /nfs/dbraw/zinc/37/23/18/983372318.db2.gz IEFULXNRBVCIPD-UHFFFAOYSA-N -1 3 309.409 3.896 20 0 DHADHM CCCc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC001596062627 983372393 /nfs/dbraw/zinc/37/23/93/983372393.db2.gz HOVCYDGQIGWREF-QGZVFWFLSA-N -1 3 315.438 3.885 20 0 DHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000094102423 1015020430 /nfs/dbraw/zinc/02/04/30/1015020430.db2.gz QVRFBMLXPZEABJ-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM S=c1nccc(O[C@@H]2CCc3c2cccc3Br)[n-]1 ZINC001226940484 1015051227 /nfs/dbraw/zinc/05/12/27/1015051227.db2.gz STFWVHHUQPJKDS-LLVKDONJSA-N -1 3 323.215 3.594 20 0 DHADHM C/C(=C\c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])s1 ZINC001589003877 984957822 /nfs/dbraw/zinc/95/78/22/984957822.db2.gz OXQCFFDPFBEBHC-JLHYYAGUSA-N -1 3 301.411 3.982 20 0 DHADHM [O-]c1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)cc1F ZINC000895350368 1015084873 /nfs/dbraw/zinc/08/48/73/1015084873.db2.gz RWPOLYIERXINBO-QGZVFWFLSA-N -1 3 301.361 3.903 20 0 DHADHM CC[C@@H](C)N(CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000656756570 1015129320 /nfs/dbraw/zinc/12/93/20/1015129320.db2.gz MGJFHBVAHNNWSC-GFCCVEGCSA-N -1 3 302.374 3.660 20 0 DHADHM CC[C@@H](C)N(CC)Cc1c(Br)cccc1C(=O)[O-] ZINC000656756038 1015129582 /nfs/dbraw/zinc/12/95/82/1015129582.db2.gz HBDRCVIRIBSFGL-SNVBAGLBSA-N -1 3 314.223 3.768 20 0 DHADHM Cc1ccc2[nH]c3c(c2c1)CN(CCC(C)(C)CC(=O)[O-])CC3 ZINC000656767503 1015135878 /nfs/dbraw/zinc/13/58/78/1015135878.db2.gz RUCJBUFVKFVTGK-UHFFFAOYSA-N -1 3 314.429 3.725 20 0 DHADHM CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656765262 1015138599 /nfs/dbraw/zinc/13/85/99/1015138599.db2.gz NFDFTOVPEGRZDV-QLFBSQMISA-N -1 3 322.474 3.732 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3C[C@H]3C3CC3)nc2)n1 ZINC000895429031 1015146698 /nfs/dbraw/zinc/14/66/98/1015146698.db2.gz XRWZPEDJNQQTFR-CJNGLKHVSA-N -1 3 324.428 3.655 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H](CCF)C1 ZINC000656783247 1015148678 /nfs/dbraw/zinc/14/86/78/1015148678.db2.gz JNKUNZIWHVMOFU-GFCCVEGCSA-N -1 3 302.349 3.509 20 0 DHADHM Cc1[nH]c2ccc(CNCc3csc(C(=O)[O-])c3)cc2c1C ZINC001599965095 985887500 /nfs/dbraw/zinc/88/75/00/985887500.db2.gz OQGZXXDRURLRDI-UHFFFAOYSA-N -1 3 314.410 3.834 20 0 DHADHM CCOc1ccccc1[C@@H](CC)NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001597172200 987001587 /nfs/dbraw/zinc/00/15/87/987001587.db2.gz DDFJJRZEDMYWGJ-OAHLLOKOSA-N -1 3 316.401 3.661 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cc2cccnc2o1)c1ccccc1 ZINC001589600985 987424852 /nfs/dbraw/zinc/42/48/52/987424852.db2.gz CYSFCRJMYOWGGW-MRXNPFEDSA-N -1 3 324.380 3.770 20 0 DHADHM CCc1[nH]c(CN(C)C/C(C)=C/c2ccccc2)cc1C(=O)[O-] ZINC001597380356 987573110 /nfs/dbraw/zinc/57/31/10/987573110.db2.gz HNGQKGUNLJRJPC-GXDHUFHOSA-N -1 3 312.413 3.811 20 0 DHADHM CCc1ccc(CN(Cc2cc(C)c(C(=O)[O-])[nH]2)C2CC2)cc1 ZINC001597525999 988168243 /nfs/dbraw/zinc/16/82/43/988168243.db2.gz FWMFPSJDVOCHMF-UHFFFAOYSA-N -1 3 312.413 3.748 20 0 DHADHM CCc1ccc2c(c1)CCN([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC001597569720 988338787 /nfs/dbraw/zinc/33/87/87/988338787.db2.gz VQHZCGOTXGLKJV-GOSISDBHSA-N -1 3 313.372 3.572 20 0 DHADHM CSc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599824322 988570093 /nfs/dbraw/zinc/57/00/93/988570093.db2.gz XRUITFDIRHYQOF-QGZVFWFLSA-N -1 3 315.438 3.941 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001597637105 988621317 /nfs/dbraw/zinc/62/13/17/988621317.db2.gz WJAIIOOWIUPALF-GHMZBOCLSA-N -1 3 304.415 3.816 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(O)c1 ZINC001599841045 988830057 /nfs/dbraw/zinc/83/00/57/988830057.db2.gz HQXBPPWXWKNFNG-BMIGLBTASA-N -1 3 305.761 3.522 20 0 DHADHM CC(C)[C@H](NCc1ccccc1CC(=O)[O-])c1ccccc1F ZINC001591030220 991330983 /nfs/dbraw/zinc/33/09/83/991330983.db2.gz GHLJHZONZIWMQZ-IBGZPJMESA-N -1 3 315.388 3.940 20 0 DHADHM CC(C)CSCCNCc1cc(C(=O)[O-])ccc1Cl ZINC001591422699 992504399 /nfs/dbraw/zinc/50/43/99/992504399.db2.gz NXOWKVAHAZHIMO-UHFFFAOYSA-N -1 3 301.839 3.517 20 0 DHADHM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598537458 992856793 /nfs/dbraw/zinc/85/67/93/992856793.db2.gz ZWAWCFUDVLKQLN-DZGCQCFKSA-N -1 3 316.426 3.609 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(Cl)s1)c1ccsc1 ZINC000276955441 1015773016 /nfs/dbraw/zinc/77/30/16/1015773016.db2.gz FELLMVYUCDCNCE-SNVBAGLBSA-N -1 3 301.820 3.769 20 0 DHADHM C[C@@H](CC(=O)[N-]OCc1ccccn1)Cc1ccc(Cl)cc1 ZINC000909540327 1015786649 /nfs/dbraw/zinc/78/66/49/1015786649.db2.gz MKCAECRYCGIQGF-CYBMUJFWSA-N -1 3 318.804 3.552 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC001593190869 994128984 /nfs/dbraw/zinc/12/89/84/994128984.db2.gz XSXSFEFNVQRPFV-TVQRCGJNSA-N -1 3 312.291 3.510 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)C(C)(C)c1ccccc1 ZINC001593198426 994171510 /nfs/dbraw/zinc/17/15/10/994171510.db2.gz RBYWWCWTISYAKU-NWDGAFQWSA-N -1 3 318.442 3.858 20 0 DHADHM C[C@@H](NCCCCC(=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC001593263987 994562056 /nfs/dbraw/zinc/56/20/56/994562056.db2.gz DJXDBZATJKFGPI-MRVPVSSYSA-N -1 3 324.730 3.659 20 0 DHADHM C[C@@H](NCC/C=C/c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265145 994570381 /nfs/dbraw/zinc/57/03/81/994570381.db2.gz QGJRERWOZZERQB-BIPYJSMBSA-N -1 3 302.399 3.595 20 0 DHADHM C[C@H](NCc1ccc(C(C)(C)C)cc1)c1cncc(C(=O)[O-])c1 ZINC001593295787 994692129 /nfs/dbraw/zinc/69/21/29/994692129.db2.gz HMIZWTQBCZICKU-ZDUSSCGKSA-N -1 3 312.413 3.928 20 0 DHADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc2ncsc2c1 ZINC001593310502 994774261 /nfs/dbraw/zinc/77/42/61/994774261.db2.gz JHCXJRYFTRVSOI-SECBINFHSA-N -1 3 318.423 3.907 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cccc(Cl)c1F ZINC000150849409 1015992382 /nfs/dbraw/zinc/99/23/82/1015992382.db2.gz OBRKKHLMJAHCTE-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001593724991 996271499 /nfs/dbraw/zinc/27/14/99/996271499.db2.gz KRNBAIHRTUZMHZ-JHJVBQTASA-N -1 3 306.406 3.582 20 0 DHADHM CC1(C)CCC[C@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593902996 996769298 /nfs/dbraw/zinc/76/92/98/996769298.db2.gz FFUVGZNFGHTXNL-OAHLLOKOSA-N -1 3 314.385 3.708 20 0 DHADHM COC[C@@H](N[C@H](C)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC001599174253 996811322 /nfs/dbraw/zinc/81/13/22/996811322.db2.gz UUVYPNFXSWHVSN-RDTXWAMCSA-N -1 3 313.397 3.732 20 0 DHADHM COc1cc(C)cc(CNCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599392326 997060849 /nfs/dbraw/zinc/06/08/49/997060849.db2.gz LMSVRCCZLCGAKL-UHFFFAOYSA-N -1 3 319.788 3.645 20 0 DHADHM CC(C)(C)c1nc(CNCCCCCCCC(=O)[O-])cs1 ZINC000277406292 1016292303 /nfs/dbraw/zinc/29/23/03/1016292303.db2.gz SDNVNFQXOURBRK-UHFFFAOYSA-N -1 3 312.479 3.955 20 0 DHADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000622421159 1016398926 /nfs/dbraw/zinc/39/89/26/1016398926.db2.gz NYZSCJHYHQAPHP-CYBMUJFWSA-N -1 3 301.308 3.633 20 0 DHADHM Cc1ccc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000622510326 1016442358 /nfs/dbraw/zinc/44/23/58/1016442358.db2.gz ABZRYPQAUSMNLA-UHFFFAOYSA-N -1 3 312.413 3.884 20 0 DHADHM Cc1oc([C@H](C)N(C)CCCOc2ccccc2)cc1C(=O)[O-] ZINC000563278275 1016487511 /nfs/dbraw/zinc/48/75/11/1016487511.db2.gz PRSVPUWDSGLYAT-ZDUSSCGKSA-N -1 3 317.385 3.748 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1CCCCCC1 ZINC000622644889 1016503545 /nfs/dbraw/zinc/50/35/45/1016503545.db2.gz LPBRBKQHNGDKNS-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000622698745 1016534483 /nfs/dbraw/zinc/53/44/83/1016534483.db2.gz KGXHTMIGAPCRLV-SNVBAGLBSA-N -1 3 307.752 3.605 20 0 DHADHM CCc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774684427 1036678110 /nfs/dbraw/zinc/67/81/10/1036678110.db2.gz WWNKVVMTDSECAZ-UHFFFAOYSA-N -1 3 305.365 3.551 20 0 DHADHM Cc1ccc(-c2nc(CN[C@@H](C)CCCC(=O)[O-])cs2)cc1 ZINC000277545459 1016583138 /nfs/dbraw/zinc/58/31/38/1016583138.db2.gz ZXEQAGBMOQYAGG-ZDUSSCGKSA-N -1 3 318.442 3.852 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000582328074 1016589828 /nfs/dbraw/zinc/58/98/28/1016589828.db2.gz JWGBYENGADITOE-UHFFFAOYSA-N -1 3 320.795 3.992 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ccccc2)s1 ZINC000174878128 1016844323 /nfs/dbraw/zinc/84/43/23/1016844323.db2.gz WRFLEWFMEPGXSP-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM Cc1ccc(-c2ocnc2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174886010 1016846130 /nfs/dbraw/zinc/84/61/30/1016846130.db2.gz UUAURMLYPWOTMZ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1cc(Br)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174901513 1016843891 /nfs/dbraw/zinc/84/38/91/1016843891.db2.gz MNOLNELDAUJXST-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCc1onc(C)c1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000192618618 1016979017 /nfs/dbraw/zinc/97/90/17/1016979017.db2.gz KKDCKOTVHXRWPU-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185645153 1017072926 /nfs/dbraw/zinc/07/29/26/1017072926.db2.gz KGQHGDFNKMODJO-QGZVFWFLSA-N -1 3 321.779 3.758 20 0 DHADHM C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779224 1032266672 /nfs/dbraw/zinc/26/66/72/1032266672.db2.gz QARXBDGXAIOVKP-LKFCYVNXSA-N -1 3 302.201 3.851 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1[O-] ZINC001147034725 1032268127 /nfs/dbraw/zinc/26/81/27/1032268127.db2.gz QONFETNMMNXWTO-GOSISDBHSA-N -1 3 323.392 3.866 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(Br)cs1 ZINC001147912488 1032353653 /nfs/dbraw/zinc/35/36/53/1032353653.db2.gz OGLUMGNEFVUBHE-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)[N-]OCC2CCC2)cc1 ZINC001148107278 1032363331 /nfs/dbraw/zinc/36/33/31/1032363331.db2.gz OWFKNBJTXZJYCF-QGZVFWFLSA-N -1 3 319.445 3.646 20 0 DHADHM COc1cccc(C(=O)Nc2cc(OC(C)C)ccc2C)c1[O-] ZINC001148201696 1032376047 /nfs/dbraw/zinc/37/60/47/1032376047.db2.gz DSFPOUGWNKYLKY-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1[O-] ZINC001148663668 1032431670 /nfs/dbraw/zinc/43/16/70/1032431670.db2.gz BMHCZQPYYRKFOU-UHFFFAOYSA-N -1 3 313.328 3.864 20 0 DHADHM CC1CC(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001148667034 1032431787 /nfs/dbraw/zinc/43/17/87/1032431787.db2.gz BZXAUDXHCVEUMX-UHFFFAOYSA-N -1 3 323.436 3.953 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)c3ccccc32)ccc1[O-] ZINC001148669080 1032431881 /nfs/dbraw/zinc/43/18/81/1032431881.db2.gz PRNUDBQKCXYHFW-GTNSWQLSSA-N -1 3 309.365 3.573 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cccc3cncc(F)c32)ccc1[O-] ZINC001148664419 1032432165 /nfs/dbraw/zinc/43/21/65/1032432165.db2.gz MAXQNQKAEKKFTA-UHFFFAOYSA-N -1 3 324.311 3.534 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000001502494 1011976475 /nfs/dbraw/zinc/97/64/75/1011976475.db2.gz XXTDNSMFTYTJIP-UHFFFAOYSA-N -1 3 320.392 3.893 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC[C@H](F)C1 ZINC000424743359 1012116125 /nfs/dbraw/zinc/11/61/25/1012116125.db2.gz WGNDBNDEOSKGQF-BDAKNGLRSA-N -1 3 305.271 3.878 20 0 DHADHM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1CC(=O)[O-] ZINC000722602972 1012315238 /nfs/dbraw/zinc/31/52/38/1012315238.db2.gz DVSFFCOZLUPOBC-NXEZZACHSA-N -1 3 302.201 3.536 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000109037543 1012404701 /nfs/dbraw/zinc/40/47/01/1012404701.db2.gz IZXSOJZZZKSSGX-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCC(F)(F)CC1 ZINC000655341035 1012666848 /nfs/dbraw/zinc/66/68/48/1012666848.db2.gz LZZUEDCDDZFKPW-VIFPVBQESA-N -1 3 317.763 3.989 20 0 DHADHM O=C(CCCCC(=O)c1ccccc1)[N-]OCc1ccccc1 ZINC000048365600 1012707840 /nfs/dbraw/zinc/70/78/40/1012707840.db2.gz UNEKSBUBBRXWMY-UHFFFAOYSA-N -1 3 311.381 3.678 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC2(CCCCC2)O1 ZINC000655380931 1012743070 /nfs/dbraw/zinc/74/30/70/1012743070.db2.gz LVIPHEFITYQJJL-LBPRGKRZSA-N -1 3 323.820 3.609 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC(F)(c2ccccc2F)C1 ZINC000646895328 1012778544 /nfs/dbraw/zinc/77/85/44/1012778544.db2.gz RZBUZUYMJZGMMQ-UHFFFAOYSA-N -1 3 323.726 3.506 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2CC2CCCC2)cc1[O-] ZINC000655410763 1012808558 /nfs/dbraw/zinc/80/85/58/1012808558.db2.gz ASQMVKQGYNBDAM-INIZCTEOSA-N -1 3 315.413 3.780 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccc2Cl)o1 ZINC000045574561 1012961176 /nfs/dbraw/zinc/96/11/76/1012961176.db2.gz OFMREQBHYMBBNB-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000007405285 1013023510 /nfs/dbraw/zinc/02/35/10/1013023510.db2.gz CPXMCQMKGFZRKE-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CCOc1ccc(OCC)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC000623577927 1017121366 /nfs/dbraw/zinc/12/13/66/1017121366.db2.gz MJNJFLYBNMWGGK-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM [O-]c1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1F ZINC000892279488 1017155614 /nfs/dbraw/zinc/15/56/14/1017155614.db2.gz CHLGYQOTOFWGJY-INIZCTEOSA-N -1 3 317.360 3.701 20 0 DHADHM O=C(OCc1cnc(Cl)s1)c1cc(F)cc(Cl)c1[O-] ZINC000760532199 1032682560 /nfs/dbraw/zinc/68/25/60/1032682560.db2.gz ZQQBAZFZRFMKNP-UHFFFAOYSA-N -1 3 322.144 3.652 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000339007510 1032685042 /nfs/dbraw/zinc/68/50/42/1032685042.db2.gz UFUIZZUPWVNBOU-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1ccccc1[N+](=O)[O-] ZINC000303286775 1017387042 /nfs/dbraw/zinc/38/70/42/1017387042.db2.gz KAVWMWARROZLBG-UHFFFAOYSA-N -1 3 306.362 3.503 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])n1cnc2ccccc21 ZINC000339007809 1032694549 /nfs/dbraw/zinc/69/45/49/1032694549.db2.gz XPQREGBCMBHBGK-JTQLQIEISA-N -1 3 315.760 3.595 20 0 DHADHM [O-]c1ccc(CNc2ncnc3c4ccccc4oc32)cc1F ZINC000078019997 1017503286 /nfs/dbraw/zinc/50/32/86/1017503286.db2.gz IELOHKVPLZWXPS-UHFFFAOYSA-N -1 3 309.300 3.833 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cc(F)c(F)cc2Cl)n1 ZINC000874698020 1032710630 /nfs/dbraw/zinc/71/06/30/1032710630.db2.gz NNWPYUWKHKYJLA-UHFFFAOYSA-N -1 3 317.748 3.845 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccccc2[O-])s1 ZINC000119958874 1017675539 /nfs/dbraw/zinc/67/55/39/1017675539.db2.gz CAUYYQWHYWQGRE-LLVKDONJSA-N -1 3 304.415 3.553 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523510180 1017715226 /nfs/dbraw/zinc/71/52/26/1017715226.db2.gz VGUSKASXIWGDSE-INWMFGNUSA-N -1 3 322.424 3.791 20 0 DHADHM O=C(Nc1cccc(OCCF)c1)c1cc([O-])ccc1Cl ZINC000342903641 1017752498 /nfs/dbraw/zinc/75/24/98/1017752498.db2.gz VDABOGXEYCDALJ-UHFFFAOYSA-N -1 3 309.724 3.646 20 0 DHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])C1CCCC1 ZINC000674080232 1017817058 /nfs/dbraw/zinc/81/70/58/1017817058.db2.gz IICLZJSKFDUABH-VIFPVBQESA-N -1 3 312.207 3.920 20 0 DHADHM CC(C)(C)n1cc(NCc2cccc([O-])c2Br)cn1 ZINC000459443826 1018002923 /nfs/dbraw/zinc/00/29/23/1018002923.db2.gz BPRYXDZCVBUFEJ-UHFFFAOYSA-N -1 3 324.222 3.718 20 0 DHADHM O=C(Nc1ccccc1-c1ccccc1)c1cccc2n[n-]nc21 ZINC000183328797 1018011469 /nfs/dbraw/zinc/01/14/69/1018011469.db2.gz KKMWFBPYULXQBW-UHFFFAOYSA-N -1 3 314.348 3.877 20 0 DHADHM CC[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000172521968 1018062000 /nfs/dbraw/zinc/06/20/00/1018062000.db2.gz IOTQQSGOEXOZGH-AWEZNQCLSA-N -1 3 316.376 3.524 20 0 DHADHM Cc1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccsc1 ZINC000714325800 1018144208 /nfs/dbraw/zinc/14/42/08/1018144208.db2.gz SMSGPLJQAFRDFW-UHFFFAOYSA-N -1 3 323.226 3.559 20 0 DHADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000525388969 1018272462 /nfs/dbraw/zinc/27/24/62/1018272462.db2.gz VPQGQTQGLWERFN-NXEZZACHSA-N -1 3 307.868 3.649 20 0 DHADHM C[C@]1(F)CCN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H]1F ZINC001142105629 1018311914 /nfs/dbraw/zinc/31/19/14/1018311914.db2.gz HZQPDISGPVZRCL-STQMWFEESA-N -1 3 310.171 3.971 20 0 DHADHM [O-]c1cc(Cl)c(CN2CC[C@@]3(C2)CCCCO3)c(Cl)c1 ZINC001142106082 1018322123 /nfs/dbraw/zinc/32/21/23/1018322123.db2.gz YKVYDNOWTBOMIU-OAHLLOKOSA-N -1 3 316.228 3.844 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccccc2C)c1 ZINC000447058716 1018322405 /nfs/dbraw/zinc/32/24/05/1018322405.db2.gz IXRAJSTYEMMEND-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)c([O-])c1 ZINC000315259500 1032761653 /nfs/dbraw/zinc/76/16/53/1032761653.db2.gz XUNTWMXBQSMVBX-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3)s2)S1 ZINC000874928830 1032762575 /nfs/dbraw/zinc/76/25/75/1032762575.db2.gz WMVVMAWFQJWBDA-KPKJPENVSA-N -1 3 305.355 3.878 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(OC)c(SC)c2)c1[O-] ZINC001299165133 1018417977 /nfs/dbraw/zinc/41/79/77/1018417977.db2.gz JTEDRJIKBFYAAQ-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM CCOC(=O)c1sc([N-]c2c(C)ccnc2F)nc1C1CC1 ZINC001212557615 1018462517 /nfs/dbraw/zinc/46/25/17/1018462517.db2.gz OEGANZUPZGTXDP-UHFFFAOYSA-N -1 3 321.377 3.783 20 0 DHADHM CCOc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1Cl ZINC001212557932 1018462882 /nfs/dbraw/zinc/46/28/82/1018462882.db2.gz ITBVJLNUIMEQJH-UHFFFAOYSA-N -1 3 317.732 3.556 20 0 DHADHM Cc1ccc2nccc(N3CCC(C(C)(C)C(=O)[O-])CC3)c2c1 ZINC000565037831 1018486970 /nfs/dbraw/zinc/48/69/70/1018486970.db2.gz DLAMROHVQKGOTE-UHFFFAOYSA-N -1 3 312.413 3.870 20 0 DHADHM CC(C)C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccs1 ZINC000527108695 1018515532 /nfs/dbraw/zinc/51/55/32/1018515532.db2.gz WAQLTKOGMAJIQZ-CYBMUJFWSA-N -1 3 314.414 3.537 20 0 DHADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C(F)(F)F ZINC001214469170 1018735003 /nfs/dbraw/zinc/73/50/03/1018735003.db2.gz XMOLTDUAKUKJPP-UHFFFAOYSA-N -1 3 315.320 3.975 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C)cnc1F ZINC001127875733 1018817982 /nfs/dbraw/zinc/81/79/82/1018817982.db2.gz YDETZDWUPIHSCT-UHFFFAOYSA-N -1 3 311.316 3.745 20 0 DHADHM O=C([N-]Cc1cccc(Cl)c1)C(F)(F)c1ccccc1F ZINC000765516378 1018855425 /nfs/dbraw/zinc/85/54/25/1018855425.db2.gz OEOSVSOKPFXKNY-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000350828287 1018862414 /nfs/dbraw/zinc/86/24/14/1018862414.db2.gz VDQLUQIBGSBTLZ-LLVKDONJSA-N -1 3 312.394 3.535 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000007052675 1019000721 /nfs/dbraw/zinc/00/07/21/1019000721.db2.gz LJMXWXQXNYDIPU-UHFFFAOYSA-N -1 3 301.411 3.675 20 0 DHADHM [O-]c1cccnc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000584199247 1019019973 /nfs/dbraw/zinc/01/99/73/1019019973.db2.gz XWPQEJSQNVHGIK-AWEZNQCLSA-N -1 3 311.410 3.734 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cnc1C ZINC000921875804 1019031278 /nfs/dbraw/zinc/03/12/78/1019031278.db2.gz ZEQISWVTYSAGOD-UHFFFAOYSA-N -1 3 302.349 3.505 20 0 DHADHM O=C([N-][C@@H]1CCc2cc(F)ccc21)C(F)(F)c1ccccc1F ZINC000765670366 1019036370 /nfs/dbraw/zinc/03/63/70/1019036370.db2.gz ZGTIMKPXJSDQTD-OAHLLOKOSA-N -1 3 323.289 3.860 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3cccc(Cl)c3)no2)c1 ZINC000387005023 1019039241 /nfs/dbraw/zinc/03/92/41/1019039241.db2.gz ABKJTSBYVSRZGO-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000029046493 1019165087 /nfs/dbraw/zinc/16/50/87/1019165087.db2.gz NLUSXITVMDTGFX-UHFFFAOYSA-N -1 3 323.389 3.724 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC000081750834 1019225912 /nfs/dbraw/zinc/22/59/12/1019225912.db2.gz GJFNXNPWHJTWCZ-UHFFFAOYSA-N -1 3 312.369 3.555 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000032595499 1019243630 /nfs/dbraw/zinc/24/36/30/1019243630.db2.gz MFLNQESOODIDOA-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000033816392 1019258832 /nfs/dbraw/zinc/25/88/32/1019258832.db2.gz GRHNRAWLWVXAKP-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncc(C(F)(F)F)cc1F ZINC001212477573 1019396510 /nfs/dbraw/zinc/39/65/10/1019396510.db2.gz IMGFTJUNXZORKO-UHFFFAOYSA-N -1 3 308.181 3.967 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncc(Br)cc1F ZINC001212479819 1019411583 /nfs/dbraw/zinc/41/15/83/1019411583.db2.gz TZZVEBXEGKZPMH-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncc(F)cc1Br ZINC001212479770 1019412031 /nfs/dbraw/zinc/41/20/31/1019412031.db2.gz QXPAABLWYFOILY-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Nc1ccc(N(c2cc(F)cc(F)c2[O-])C2CCCC2)nc1 ZINC001212484092 1019446283 /nfs/dbraw/zinc/44/62/83/1019446283.db2.gz JNYZFLQOZLIZGW-UHFFFAOYSA-N -1 3 305.328 3.728 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1[O-] ZINC000091676851 1019476699 /nfs/dbraw/zinc/47/66/99/1019476699.db2.gz WDONCZOEBWKJJD-NSHDSACASA-N -1 3 315.344 3.521 20 0 DHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])o2)cc1 ZINC000138464663 1019639206 /nfs/dbraw/zinc/63/92/06/1019639206.db2.gz YBWISBVKCKCSQN-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM Cc1cccc(CCNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000525917050 1019726834 /nfs/dbraw/zinc/72/68/34/1019726834.db2.gz UNYITTBXHGXZBL-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM CCOc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525924525 1019729397 /nfs/dbraw/zinc/72/93/97/1019729397.db2.gz YFTFOSCNYRUYSP-UHFFFAOYSA-N -1 3 321.376 3.874 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000727673293 1019754284 /nfs/dbraw/zinc/75/42/84/1019754284.db2.gz ZWJJPMPYNBBTTI-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000727673293 1019754301 /nfs/dbraw/zinc/75/43/01/1019754301.db2.gz ZWJJPMPYNBBTTI-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM COc1ccc(C(C)=O)c(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000727966266 1019850206 /nfs/dbraw/zinc/85/02/06/1019850206.db2.gz YSXBHAYRTMDZPP-UHFFFAOYSA-N -1 3 315.350 3.660 20 0 DHADHM COCC(C)(C)CCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000290953728 1019898585 /nfs/dbraw/zinc/89/85/85/1019898585.db2.gz QVKLSPQDSWCACB-UHFFFAOYSA-N -1 3 315.413 3.728 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)c2cccc(SC)c2)c1 ZINC000094090114 1020077292 /nfs/dbraw/zinc/07/72/92/1020077292.db2.gz ZFWNAJMMNKYGBE-UHFFFAOYSA-N -1 3 301.411 3.953 20 0 DHADHM CCC[C@@H](C(=O)Nc1n[n-]c(SC)n1)c1cccc(Cl)c1 ZINC000624925682 1020147573 /nfs/dbraw/zinc/14/75/73/1020147573.db2.gz URKYPYYCMAPACU-LLVKDONJSA-N -1 3 324.837 3.702 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cccc(Cl)c2o1 ZINC000084632352 1020171343 /nfs/dbraw/zinc/17/13/43/1020171343.db2.gz RNJRGADVYIHWAY-UHFFFAOYSA-N -1 3 319.719 3.861 20 0 DHADHM CC(F)(F)CCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000922636190 1020185196 /nfs/dbraw/zinc/18/51/96/1020185196.db2.gz HJBXIEBAKBULII-UHFFFAOYSA-N -1 3 304.308 3.833 20 0 DHADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cc(=O)[n-]cn2)c(C)c1 ZINC000624953877 1020213537 /nfs/dbraw/zinc/21/35/37/1020213537.db2.gz WUVWZSZHXHCEQC-LLVKDONJSA-N -1 3 317.414 3.634 20 0 DHADHM CC(C)[C@H](N[C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000186352058 1020256072 /nfs/dbraw/zinc/25/60/72/1020256072.db2.gz ALKBNRJRGDJYEI-ABAIWWIYSA-N -1 3 311.397 3.548 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000352486100 1020269133 /nfs/dbraw/zinc/26/91/33/1020269133.db2.gz MMYSVRYCYPSUAK-KRWDZBQOSA-N -1 3 306.365 3.851 20 0 DHADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000055548128 1020451053 /nfs/dbraw/zinc/45/10/53/1020451053.db2.gz CEZSUZDGFRUZAU-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM CC(C)(C)c1ccc(CCC(=O)[N-]OCc2ccccn2)cc1 ZINC001626091128 1020545253 /nfs/dbraw/zinc/54/52/53/1020545253.db2.gz LXKAJENJRXMHDE-UHFFFAOYSA-N -1 3 312.413 3.560 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000133131687 1020600333 /nfs/dbraw/zinc/60/03/33/1020600333.db2.gz KAIFKNYVSGSFGR-UHFFFAOYSA-N -1 3 318.735 3.596 20 0 DHADHM C[C@H](c1ccccc1F)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163777491 1020618051 /nfs/dbraw/zinc/61/80/51/1020618051.db2.gz CTSAOKRXDCJGHU-LLVKDONJSA-N -1 3 320.339 3.573 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735006663 1020681540 /nfs/dbraw/zinc/68/15/40/1020681540.db2.gz DBEOHIGSSISBJC-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735006663 1020681541 /nfs/dbraw/zinc/68/15/41/1020681541.db2.gz DBEOHIGSSISBJC-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000735083648 1020689864 /nfs/dbraw/zinc/68/98/64/1020689864.db2.gz WMBKLANGDHYHKB-NXEZZACHSA-N -1 3 319.829 3.582 20 0 DHADHM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000735083876 1020690172 /nfs/dbraw/zinc/69/01/72/1020690172.db2.gz XJVKENVSMAMKEW-GDGBQDQQSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2c(F)cc(F)cc2F)cc1F ZINC000133529747 1020739230 /nfs/dbraw/zinc/73/92/30/1020739230.db2.gz BSRIREIVJMSELF-UHFFFAOYSA-N -1 3 301.214 3.943 20 0 DHADHM Cc1cccc(C(C)C)c1NC(=O)c1nnc2ccccc2c1[O-] ZINC000177941112 1020863434 /nfs/dbraw/zinc/86/34/34/1020863434.db2.gz ZOHKJJZCIYMSDT-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM CCc1cnccc1[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000613246715 1020871011 /nfs/dbraw/zinc/87/10/11/1020871011.db2.gz JWOGMIOMTWDWRU-NSHDSACASA-N -1 3 316.426 3.563 20 0 DHADHM CCC[C@@H](CC)[S@@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414233891 1021017464 /nfs/dbraw/zinc/01/74/64/1021017464.db2.gz BUUHVKYBFPLGOK-QRQCRPRQSA-N -1 3 318.442 3.677 20 0 DHADHM CCSCc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000160985037 1021055607 /nfs/dbraw/zinc/05/56/07/1021055607.db2.gz OILGWRCMJYIYOP-AWEZNQCLSA-N -1 3 310.419 3.519 20 0 DHADHM CCSCc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000160985037 1021055609 /nfs/dbraw/zinc/05/56/09/1021055609.db2.gz OILGWRCMJYIYOP-AWEZNQCLSA-N -1 3 310.419 3.519 20 0 DHADHM CCc1cccc(NC(=S)NCc2ccc([O-])c(F)c2)c1 ZINC000737461941 1021103237 /nfs/dbraw/zinc/10/32/37/1021103237.db2.gz VKWVDOJKTQIFEI-UHFFFAOYSA-N -1 3 304.390 3.580 20 0 DHADHM CCc1ccc([C@H](C)CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162894010 1021145979 /nfs/dbraw/zinc/14/59/79/1021145979.db2.gz ZLINAWBVUGQBMC-LLVKDONJSA-N -1 3 303.324 3.743 20 0 DHADHM O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000917518751 1021287893 /nfs/dbraw/zinc/28/78/93/1021287893.db2.gz LJTIVVCIRHZRDG-AUWJEWJLSA-N -1 3 318.159 3.804 20 0 DHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc([O-])c1F ZINC000129178430 1021448230 /nfs/dbraw/zinc/44/82/30/1021448230.db2.gz HASUZODKHIWFAJ-AWEZNQCLSA-N -1 3 303.333 3.636 20 0 DHADHM CC(=O)c1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1[O-] ZINC000667048528 1032984653 /nfs/dbraw/zinc/98/46/53/1032984653.db2.gz CAMJDXIVGJOJSW-NSHDSACASA-N -1 3 313.353 3.554 20 0 DHADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129597407 1021517842 /nfs/dbraw/zinc/51/78/42/1021517842.db2.gz KKORQTOXVRYPEV-LLVKDONJSA-N -1 3 303.333 3.961 20 0 DHADHM C[C@@H]1CN(CCc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000659800951 1021537482 /nfs/dbraw/zinc/53/74/82/1021537482.db2.gz BFUZRYDCQMDDTA-YGRLFVJLSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@@H]1CCc2c(C(=O)Nc3cccc([O-])c3F)csc2C1 ZINC000129694187 1021548192 /nfs/dbraw/zinc/54/81/92/1021548192.db2.gz VXIOEXAWKXAZKS-SECBINFHSA-N -1 3 305.374 3.970 20 0 DHADHM CC[C@H](Nc1cc(=O)[n-]c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000892756600 1021599921 /nfs/dbraw/zinc/59/99/21/1021599921.db2.gz DXWCMEJYWPUXFY-ZETCQYMHSA-N -1 3 318.324 3.529 20 0 DHADHM COc1cccc(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)c1[O-] ZINC000619021976 1021620137 /nfs/dbraw/zinc/62/01/37/1021620137.db2.gz SEJLSASHLIXQBA-LBPRGKRZSA-N -1 3 311.381 3.727 20 0 DHADHM COc1cccc(C(=O)N2c3ccccc3C(C)(C)[C@H]2C)c1[O-] ZINC000619021975 1021620771 /nfs/dbraw/zinc/62/07/71/1021620771.db2.gz SEJLSASHLIXQBA-GFCCVEGCSA-N -1 3 311.381 3.727 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCCC(F)(F)F ZINC000154925074 1021738817 /nfs/dbraw/zinc/73/88/17/1021738817.db2.gz MHRYKDFNDNMGRF-UHFFFAOYSA-N -1 3 323.314 3.896 20 0 DHADHM CC[S@](=O)[C@@H]1CCC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000175897281 1021769943 /nfs/dbraw/zinc/76/99/43/1021769943.db2.gz HLZRGZDQPTVEIU-ISTRSSKCSA-N -1 3 313.850 3.544 20 0 DHADHM CC(C)(COC(=O)c1cc2cc(Cl)sc2[n-]1)n1cccn1 ZINC000851308363 1021825074 /nfs/dbraw/zinc/82/50/74/1021825074.db2.gz KWRKOLRJDGQAHV-UHFFFAOYSA-N -1 3 323.805 3.671 20 0 DHADHM CCc1nc([N-]C(=O)c2c(C)noc2C(F)(F)F)sc1C ZINC000746017619 1021828684 /nfs/dbraw/zinc/82/86/84/1021828684.db2.gz AVBUQNVQUCWWTB-UHFFFAOYSA-N -1 3 319.308 3.581 20 0 DHADHM CC(=O)N1CCc2ccc(Nc3c(Cl)ccc([O-])c3F)cc21 ZINC001214559025 1021885802 /nfs/dbraw/zinc/88/58/02/1021885802.db2.gz DDWLXUYQNFSOHO-UHFFFAOYSA-N -1 3 320.751 3.837 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2c(C)[nH]c3ccccc32)c1[O-] ZINC000556894097 1021928648 /nfs/dbraw/zinc/92/86/48/1021928648.db2.gz MFMPAWFBBPEITE-UHFFFAOYSA-N -1 3 322.364 3.566 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1[O-] ZINC000556891516 1021933064 /nfs/dbraw/zinc/93/30/64/1021933064.db2.gz BODLUMGCDRASFH-QGZVFWFLSA-N -1 3 309.365 3.727 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1[O-] ZINC000556892519 1021935487 /nfs/dbraw/zinc/93/54/87/1021935487.db2.gz KXAZQSVGVJJXLL-JTQLQIEISA-N -1 3 317.772 3.990 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2C)c1 ZINC000614950035 1021939313 /nfs/dbraw/zinc/93/93/13/1021939313.db2.gz OWUMMYUUSCEZQG-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM O=c1[n-]c(-c2ncccn2)nc2ccc(Oc3ccccc3)cc21 ZINC000620127093 1022042973 /nfs/dbraw/zinc/04/29/73/1022042973.db2.gz PRAMJWCVQADWTE-UHFFFAOYSA-N -1 3 316.320 3.585 20 0 DHADHM CCc1ccc(O)c([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c1 ZINC000746368743 1022047387 /nfs/dbraw/zinc/04/73/87/1022047387.db2.gz ZUAQZDZOJQQLHB-ZHACJKMWSA-N -1 3 317.410 3.676 20 0 DHADHM C[C@@H](CSCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000183337126 1022106086 /nfs/dbraw/zinc/10/60/86/1022106086.db2.gz KYGGSCJWMUTUAA-NSHDSACASA-N -1 3 305.365 3.592 20 0 DHADHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000180072429 1022108514 /nfs/dbraw/zinc/10/85/14/1022108514.db2.gz CNXUSURXTNDZCA-KRWDZBQOSA-N -1 3 321.779 3.758 20 0 DHADHM CCCC=CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000920476009 1022130816 /nfs/dbraw/zinc/13/08/16/1022130816.db2.gz PSOFFIXTMQMSGF-POHAHGRESA-N -1 3 311.385 3.706 20 0 DHADHM O=C([N-]Cc1ccc(F)cc1)C(F)(F)c1cccc(Cl)c1 ZINC000920999043 1022198745 /nfs/dbraw/zinc/19/87/45/1022198745.db2.gz CSVWUWOTEOSYNH-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc(OC)c1C ZINC000153543518 1022222103 /nfs/dbraw/zinc/22/21/03/1022222103.db2.gz TUPAYYZXDJMHOW-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1oc(-c2ccccc2)nc1C ZINC000153998498 1022269373 /nfs/dbraw/zinc/26/93/73/1022269373.db2.gz YXIZYUUHLLCRSO-UHFFFAOYSA-N -1 3 311.341 3.761 20 0 DHADHM O=C([N-]OCc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000182709833 1022304789 /nfs/dbraw/zinc/30/47/89/1022304789.db2.gz LBBIFWQKSSJNDS-UHFFFAOYSA-N -1 3 317.345 3.689 20 0 DHADHM Cc1ccc(N[C@@H]2C[C@@H](C)c3ccccc32)cc1-c1nnn[n-]1 ZINC001169372320 1022370420 /nfs/dbraw/zinc/37/04/20/1022370420.db2.gz DWZBNBCENRDKHH-SJKOYZFVSA-N -1 3 305.385 3.836 20 0 DHADHM Cc1ccc(N[C@@H]2C[C@@H](C)c3ccccc32)cc1-c1nn[n-]n1 ZINC001169372320 1022370439 /nfs/dbraw/zinc/37/04/39/1022370439.db2.gz DWZBNBCENRDKHH-SJKOYZFVSA-N -1 3 305.385 3.836 20 0 DHADHM FC(F)(F)c1ccc(CCCNc2ccc(=S)[n-]n2)cc1 ZINC001169352000 1022381997 /nfs/dbraw/zinc/38/19/97/1022381997.db2.gz JMDLASFXRFIGIA-UHFFFAOYSA-N -1 3 313.348 3.829 20 0 DHADHM COC(=O)c1ncc(Cl)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212590317 1022408864 /nfs/dbraw/zinc/40/88/64/1022408864.db2.gz GOAAFTCZBDNURI-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM COCCOc1ccc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212593413 1022488669 /nfs/dbraw/zinc/48/86/69/1022488669.db2.gz PQRGAAJRSZXMCT-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM CC1(C)Oc2cc(Nc3ccc(Cl)c([O-])c3)ccc2NC1=O ZINC001212592622 1022490170 /nfs/dbraw/zinc/49/01/70/1022490170.db2.gz ZEYMYNLTVLGVGR-UHFFFAOYSA-N -1 3 318.760 3.899 20 0 DHADHM CC(=O)N1CCc2c1cccc2Nc1ccc(Cl)c([O-])c1 ZINC001212593984 1022515556 /nfs/dbraw/zinc/51/55/56/1022515556.db2.gz OMGJJRBPSUULNR-UHFFFAOYSA-N -1 3 302.761 3.698 20 0 DHADHM C[C@H]1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N(C)C1=O ZINC001212594906 1022547060 /nfs/dbraw/zinc/54/70/60/1022547060.db2.gz CMVRQSNMYXNKRX-JTQLQIEISA-N -1 3 316.788 3.944 20 0 DHADHM CC1(C)C(=O)NCc2cccc(Nc3ccc(Cl)c([O-])c3)c21 ZINC001212595453 1022548780 /nfs/dbraw/zinc/54/87/80/1022548780.db2.gz VDPJNTJMGKJXQF-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM C[C@@H]1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N(C)C1=O ZINC001212594907 1022549412 /nfs/dbraw/zinc/54/94/12/1022549412.db2.gz CMVRQSNMYXNKRX-SNVBAGLBSA-N -1 3 316.788 3.944 20 0 DHADHM CC1(C)NC(=O)Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212595286 1022558394 /nfs/dbraw/zinc/55/83/94/1022558394.db2.gz MBNQXGMZYVUOGT-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM CCSc1cccc(F)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417048626 1022575529 /nfs/dbraw/zinc/57/55/29/1022575529.db2.gz RYDPAVZXTOWRLL-UHFFFAOYSA-N -1 3 319.405 3.923 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000616507078 1022730643 /nfs/dbraw/zinc/73/06/43/1022730643.db2.gz CIWRBAJNKGBSES-HNNXBMFYSA-N -1 3 305.443 3.909 20 0 DHADHM CC(NC(=O)c1cc2sccc2c([O-])c1)(C1CC1)C1CC1 ZINC000856118010 1022751691 /nfs/dbraw/zinc/75/16/91/1022751691.db2.gz BNUIZQVLFLVJPC-UHFFFAOYSA-N -1 3 301.411 3.915 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000617095608 1022843443 /nfs/dbraw/zinc/84/34/43/1022843443.db2.gz WEURXMYKMGHRRX-UHFFFAOYSA-N -1 3 322.459 3.713 20 0 DHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617097904 1022843747 /nfs/dbraw/zinc/84/37/47/1022843747.db2.gz HXBWITZKRDWFHP-UHFFFAOYSA-N -1 3 322.434 3.799 20 0 DHADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621757745 1022859908 /nfs/dbraw/zinc/85/99/08/1022859908.db2.gz NQPNAHVEJLRVTF-SNVBAGLBSA-N -1 3 324.302 3.639 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)[C@H](C)c3ccco3)cc(=O)oc12 ZINC000069069007 1022882790 /nfs/dbraw/zinc/88/27/90/1022882790.db2.gz SGDOXSYUTCYSOJ-GFCCVEGCSA-N -1 3 313.353 3.593 20 0 DHADHM COc1cccc(-c2nc([C@H]3CCCc4ccccc43)no2)c1[O-] ZINC000324798129 1022965848 /nfs/dbraw/zinc/96/58/48/1022965848.db2.gz MDRUMTYDIJVKPM-AWEZNQCLSA-N -1 3 322.364 3.919 20 0 DHADHM CCN(CC(C)(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622061317 1023020418 /nfs/dbraw/zinc/02/04/18/1023020418.db2.gz CHENKILWSJOGLY-UHFFFAOYSA-N -1 3 303.324 3.919 20 0 DHADHM CC[C@H]1CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000069374075 1023036616 /nfs/dbraw/zinc/03/66/16/1023036616.db2.gz JNNRCMYSTYKLLA-LBPRGKRZSA-N -1 3 322.503 3.672 20 0 DHADHM C[C@]1(CCNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1(F)F ZINC000622171907 1023059994 /nfs/dbraw/zinc/05/99/94/1023059994.db2.gz XQSDBGNIXMYLFD-LBPRGKRZSA-N -1 3 323.261 3.576 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(Cc3ccsc3)C2)c([O-])c1 ZINC000622256970 1023080217 /nfs/dbraw/zinc/08/02/17/1023080217.db2.gz LAQUFRYPDFQPCL-UHFFFAOYSA-N -1 3 315.438 3.892 20 0 DHADHM O=C1Oc2ccccc2/C1=C/c1cc([O-])ccc1Br ZINC000769775238 1023204744 /nfs/dbraw/zinc/20/47/44/1023204744.db2.gz YPQYQWZSDWSRSE-WQLSENKSSA-N -1 3 317.138 3.614 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000769831454 1023224572 /nfs/dbraw/zinc/22/45/72/1023224572.db2.gz IYDGTVHPAHNJTR-HNNXBMFYSA-N -1 3 303.308 3.648 20 0 DHADHM Cc1ccc2c(c1)OCCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000769913495 1023232546 /nfs/dbraw/zinc/23/25/46/1023232546.db2.gz QPQWBNORYDWQQN-UHFFFAOYSA-N -1 3 323.392 3.619 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCC(C2CCCCC2)CC1 ZINC000770403464 1023306224 /nfs/dbraw/zinc/30/62/24/1023306224.db2.gz XUXMOPHBGUEFHT-UHFFFAOYSA-N -1 3 303.402 3.530 20 0 DHADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](C)S1 ZINC001137111307 1033128755 /nfs/dbraw/zinc/12/87/55/1033128755.db2.gz JSYFHLHDFSEJKI-UWVGGRQHSA-N -1 3 307.440 3.573 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000661435365 1023600851 /nfs/dbraw/zinc/60/08/51/1023600851.db2.gz FVHULUUMDYZZAW-CZUORRHYSA-N -1 3 313.401 3.762 20 0 DHADHM O=c1nc(CN2CC[C@H](C3CCCCC3)C2)[n-]c2ccsc21 ZINC000661578467 1023648209 /nfs/dbraw/zinc/64/82/09/1023648209.db2.gz NNGOAZXDGBSCTN-ZDUSSCGKSA-N -1 3 317.458 3.799 20 0 DHADHM O=C(OCc1cc(Cl)nc(Cl)c1)c1cc2occc2[n-]1 ZINC000786027341 1023649183 /nfs/dbraw/zinc/64/91/83/1023649183.db2.gz BBVKKCOJCZLWOA-UHFFFAOYSA-N -1 3 311.124 3.820 20 0 DHADHM COc1ccc(Cl)c(COC(=O)c2cc3occc3[n-]2)c1 ZINC000786034252 1023653961 /nfs/dbraw/zinc/65/39/61/1023653961.db2.gz YYKFIGREWIITGP-UHFFFAOYSA-N -1 3 305.717 3.780 20 0 DHADHM O=C(O[C@H]1Cc2ccccc2C1=O)c1cc2sccc2c([O-])c1 ZINC000786139970 1023663211 /nfs/dbraw/zinc/66/32/11/1023663211.db2.gz LSURKBOVXUXZNK-HNNXBMFYSA-N -1 3 324.357 3.571 20 0 DHADHM O=C(OC[C@H]1CC1(Cl)Cl)c1cc2sccc2c([O-])c1 ZINC000786135103 1023667264 /nfs/dbraw/zinc/66/72/64/1023667264.db2.gz VMAPULURVKTTSN-MRVPVSSYSA-N -1 3 317.193 3.958 20 0 DHADHM Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(C)cc1[O-] ZINC000786645149 1023716838 /nfs/dbraw/zinc/71/68/38/1023716838.db2.gz PUSQWIRLBVQSEI-UHFFFAOYSA-N -1 3 315.760 3.562 20 0 DHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000048652809 1023801309 /nfs/dbraw/zinc/80/13/09/1023801309.db2.gz NZDOMPQBGRZINO-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCc2ccccc2C1 ZINC000788262134 1023866945 /nfs/dbraw/zinc/86/69/45/1023866945.db2.gz TXHMBQALKBOXAZ-UHFFFAOYSA-N -1 3 309.390 3.805 20 0 DHADHM O=C(NCCc1ccc(F)cc1)c1cc2sccc2c([O-])c1 ZINC000788261712 1023867409 /nfs/dbraw/zinc/86/74/09/1023867409.db2.gz PTSNKZWKCVMEJV-UHFFFAOYSA-N -1 3 315.369 3.719 20 0 DHADHM CC(C)[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC000788305958 1023868857 /nfs/dbraw/zinc/86/88/57/1023868857.db2.gz QJBJVODPEHKFBD-OAHLLOKOSA-N -1 3 321.467 3.821 20 0 DHADHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]OC1CCOCC1)(C2)C3 ZINC000772722858 1023918856 /nfs/dbraw/zinc/91/88/56/1023918856.db2.gz OPRMOOXHBWDMEU-UHFFFAOYSA-N -1 3 321.461 3.600 20 0 DHADHM CC1(C)CCCC[C@@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222402 1023997938 /nfs/dbraw/zinc/99/79/38/1023997938.db2.gz GTWSAGGCJQFFGZ-NVXWUHKLSA-N -1 3 301.430 3.887 20 0 DHADHM CC(C)C[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268157632 1024077785 /nfs/dbraw/zinc/07/77/85/1024077785.db2.gz HIJYHVQCFCGDKH-CQSZACIVSA-N -1 3 312.413 3.981 20 0 DHADHM CCc1cccc(C(=O)N2CCc3c2cccc3Cl)c1[O-] ZINC000538783057 1033186966 /nfs/dbraw/zinc/18/69/66/1033186966.db2.gz VOYDBJWRIFZJCI-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM CCC[C@@H]1C[C@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452746938 1024177137 /nfs/dbraw/zinc/17/71/37/1024177137.db2.gz GYFWTCKGMZVVMK-NXEZZACHSA-N -1 3 312.207 3.838 20 0 DHADHM Cc1cc2nc([N-]C(=O)c3nc(Cl)cs3)oc2c(C)c1 ZINC000790945108 1024402155 /nfs/dbraw/zinc/40/21/55/1024402155.db2.gz FHQVJGUNRHUXDZ-UHFFFAOYSA-N -1 3 307.762 3.807 20 0 DHADHM O=c1ccnc(C=Cc2ccc(OCc3ccc(F)cc3)cc2)[n-]1 ZINC000131787331 1024433495 /nfs/dbraw/zinc/43/34/95/1024433495.db2.gz WCTPXGLPXWAWGP-BJMVGYQFSA-N -1 3 322.339 3.658 20 0 DHADHM O=C(CCC(=O)c1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000348559839 1024590707 /nfs/dbraw/zinc/59/07/07/1024590707.db2.gz FZUVPUPFMODUPG-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOc2ccccc2C1 ZINC000792076686 1024621209 /nfs/dbraw/zinc/62/12/09/1024621209.db2.gz PXDQEEZOXWXXIY-UHFFFAOYSA-N -1 3 319.360 3.580 20 0 DHADHM O=C(NCc1ccc(Cl)nc1)c1cc([O-])c2ccccc2c1 ZINC000792067891 1024622197 /nfs/dbraw/zinc/62/21/97/1024622197.db2.gz ZHAXATPOJLCIBQ-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(CC(F)(F)F)C1 ZINC000792226346 1024651000 /nfs/dbraw/zinc/65/10/00/1024651000.db2.gz RBXACGFCYPXHMV-UHFFFAOYSA-N -1 3 309.287 3.570 20 0 DHADHM COc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1F ZINC000792335854 1024665935 /nfs/dbraw/zinc/66/59/35/1024665935.db2.gz QTWJRNPENRGEMP-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000317934654 1024670711 /nfs/dbraw/zinc/67/07/11/1024670711.db2.gz NTVNQQVLSWMMOG-ZDUSSCGKSA-N -1 3 319.298 3.674 20 0 DHADHM Cc1cccc(Cl)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000792608105 1024734620 /nfs/dbraw/zinc/73/46/20/1024734620.db2.gz FLQFKXKCLNISME-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM CCN(CCc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC000666172031 1024747253 /nfs/dbraw/zinc/74/72/53/1024747253.db2.gz PWILRAFSLYUIFP-UHFFFAOYSA-N -1 3 315.438 3.819 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)CCO2 ZINC000897418704 1024788551 /nfs/dbraw/zinc/78/85/51/1024788551.db2.gz UUOBMFMVSJJPTK-LLVKDONJSA-N -1 3 303.789 3.831 20 0 DHADHM Cc1ccc2ccccc2c1CS(=O)(=O)c1cccc([O-])c1 ZINC000350597039 1024831392 /nfs/dbraw/zinc/83/13/92/1024831392.db2.gz JBOOJPLGJUMERM-UHFFFAOYSA-N -1 3 312.390 3.828 20 0 DHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC000350936256 1024866145 /nfs/dbraw/zinc/86/61/45/1024866145.db2.gz FOWQMHRQSWVXJU-UHFFFAOYSA-N -1 3 306.170 3.696 20 0 DHADHM [O-]c1ccccc1-c1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000319997229 1024921348 /nfs/dbraw/zinc/92/13/48/1024921348.db2.gz SXYOFYLKEXGUEZ-ZDUSSCGKSA-N -1 3 312.350 3.668 20 0 DHADHM COc1cc2c(cc1F)CC[C@H]2NCc1c(F)ccc([O-])c1F ZINC000353360078 1025039893 /nfs/dbraw/zinc/03/98/93/1025039893.db2.gz FOXGYFWYQVAPTN-CQSZACIVSA-N -1 3 323.314 3.595 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(CC(C)C)n1 ZINC000154148575 1025074676 /nfs/dbraw/zinc/07/46/76/1025074676.db2.gz WCCSMMBNZRZRMW-UHFFFAOYSA-N -1 3 305.403 3.768 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1[O-] ZINC001137212289 1025188734 /nfs/dbraw/zinc/18/87/34/1025188734.db2.gz ODGQJRIWLYJCJG-AWEZNQCLSA-N -1 3 315.335 3.806 20 0 DHADHM CSCCO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000794188691 1025231944 /nfs/dbraw/zinc/23/19/44/1025231944.db2.gz UCMGHZVVCYLFTP-UHFFFAOYSA-N -1 3 319.879 3.623 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1Cl)[N-]OC/C=C/Cl ZINC000794305488 1025251939 /nfs/dbraw/zinc/25/19/39/1025251939.db2.gz MLGFGSYQLANVLG-ORCRQEGFSA-N -1 3 324.591 3.563 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000859948694 1033272064 /nfs/dbraw/zinc/27/20/64/1033272064.db2.gz BUUWEEWSKVLXGT-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM COc1ncc(Nc2cc(F)c([O-])cc2F)cc1C(F)(F)F ZINC001212802020 1025324500 /nfs/dbraw/zinc/32/45/00/1025324500.db2.gz UKCLBMLXKPMSGH-UHFFFAOYSA-N -1 3 320.217 3.836 20 0 DHADHM COc1c(C)cc(C(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000539101255 1033276297 /nfs/dbraw/zinc/27/62/97/1033276297.db2.gz SGMZIXRCLFNIMJ-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM O=C(NC1(c2ccccc2F)CC1)c1cc([O-])ccc1Cl ZINC000354452738 1025432905 /nfs/dbraw/zinc/43/29/05/1025432905.db2.gz MAQWZAHRUCAOOO-UHFFFAOYSA-N -1 3 305.736 3.604 20 0 DHADHM Cc1sc(C)c(S(=O)(=O)[N-]c2cccnc2Cl)c1C ZINC000722568974 1025517284 /nfs/dbraw/zinc/51/72/84/1025517284.db2.gz TVCQORGCFQHHGH-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM CCSc1cc(Cl)ccc1C(=O)Nc1ncccc1[O-] ZINC000128922136 1025598078 /nfs/dbraw/zinc/59/80/78/1025598078.db2.gz GMWCBOWLBDLGCG-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000614244581 1025983320 /nfs/dbraw/zinc/98/33/20/1025983320.db2.gz KZLDFRJKJMIYOF-KCJUWKMLSA-N -1 3 319.348 3.527 20 0 DHADHM CC(C)Oc1cccc(F)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001211773343 1025984665 /nfs/dbraw/zinc/98/46/65/1025984665.db2.gz USXDEFCASOLSTJ-UHFFFAOYSA-N -1 3 303.337 3.730 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000289743860 1026154987 /nfs/dbraw/zinc/15/49/87/1026154987.db2.gz KSOKTBNLFGEPRU-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM Cc1ccc(NC(=O)[N-]c2cc(-c3ccccn3)no2)c(C)c1 ZINC001202739179 1026167258 /nfs/dbraw/zinc/16/72/58/1026167258.db2.gz AUHNIKWUJRNZOQ-UHFFFAOYSA-N -1 3 308.341 3.997 20 0 DHADHM CC(=O)c1cccc(NC(=O)/C=C\Sc2ccccc2)c1[O-] ZINC000808188419 1026223041 /nfs/dbraw/zinc/22/30/41/1026223041.db2.gz WGJXVPWOMBVBFH-KHPPLWFESA-N -1 3 313.378 3.839 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCC[C@H](O)c1ccccc1 ZINC000808257883 1026244274 /nfs/dbraw/zinc/24/42/74/1026244274.db2.gz ZDZCWYYAVHKDOF-KRWDZBQOSA-N -1 3 305.418 3.518 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CC34CCCC4)c2)n1 ZINC000747485179 1026253753 /nfs/dbraw/zinc/25/37/53/1026253753.db2.gz QBDBLFZBUUIIBN-HNNXBMFYSA-N -1 3 324.380 3.643 20 0 DHADHM O=C(OCc1cccnc1Cl)c1cc(Cl)c(Cl)[n-]1 ZINC000729193976 1026392479 /nfs/dbraw/zinc/39/24/79/1026392479.db2.gz NHPLWYVDKONQTR-UHFFFAOYSA-N -1 3 305.548 3.727 20 0 DHADHM O=C([O-])[C@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000263409172 1026487660 /nfs/dbraw/zinc/48/76/60/1026487660.db2.gz KUBWZWLODJEKPU-NSHDSACASA-N -1 3 316.228 3.723 20 0 DHADHM CN(CCCOCc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000513479916 1026521389 /nfs/dbraw/zinc/52/13/89/1026521389.db2.gz TYXGDJPBBGJVBI-UHFFFAOYSA-N -1 3 321.367 3.709 20 0 DHADHM CO[C@]1(C)CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000280103150 1026592618 /nfs/dbraw/zinc/59/26/18/1026592618.db2.gz UQNWUJXIFZEMIF-GOSISDBHSA-N -1 3 305.418 3.547 20 0 DHADHM Cc1cc(-c2cccc(CS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC001244550369 1026771172 /nfs/dbraw/zinc/77/11/72/1026771172.db2.gz CLTOOONKANDCNB-UHFFFAOYSA-N -1 3 310.802 3.566 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000420272483 1026794632 /nfs/dbraw/zinc/79/46/32/1026794632.db2.gz MDWWQKGRWNPAES-BLLLJJGKSA-N -1 3 311.372 3.993 20 0 DHADHM Cc1nc(COC(=O)c2cc3cc(Cl)sc3[n-]2)oc1C ZINC000810625406 1026802197 /nfs/dbraw/zinc/80/21/97/1026802197.db2.gz AFLIKIMNXLTZDJ-UHFFFAOYSA-N -1 3 310.762 3.845 20 0 DHADHM Cc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000810634826 1026814026 /nfs/dbraw/zinc/81/40/26/1026814026.db2.gz DXZNANSBXKZWLN-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM Cc1ncc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c(C)n1 ZINC000810669860 1026823349 /nfs/dbraw/zinc/82/33/49/1026823349.db2.gz PBXXRXJBIUCXDA-UHFFFAOYSA-N -1 3 321.789 3.647 20 0 DHADHM C[C@H](CCn1cccn1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810658318 1026828508 /nfs/dbraw/zinc/82/85/08/1026828508.db2.gz KEKBOBLWETZCIP-SECBINFHSA-N -1 3 323.805 3.715 20 0 DHADHM COC1(CCOC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000810880595 1026872816 /nfs/dbraw/zinc/87/28/16/1026872816.db2.gz MCMPPZSATLFAHL-UHFFFAOYSA-N -1 3 313.806 3.999 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1ccc2c(c1)CCCCC2=O ZINC000810984474 1026907727 /nfs/dbraw/zinc/90/77/27/1026907727.db2.gz CDABHXLSOYGJCA-UHFFFAOYSA-N -1 3 313.328 3.693 20 0 DHADHM [O-]c1cccnc1CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000571448190 1027128681 /nfs/dbraw/zinc/12/86/81/1027128681.db2.gz VQLVDJFJWOAQGM-UHFFFAOYSA-N -1 3 316.351 3.745 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000812401151 1027259456 /nfs/dbraw/zinc/25/94/56/1027259456.db2.gz VWFCSXVSKSYKQY-YVGDHZEHSA-N -1 3 321.726 3.999 20 0 DHADHM C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(F)ccc1[S-] ZINC001170685879 1027381229 /nfs/dbraw/zinc/38/12/29/1027381229.db2.gz IXFAKBABEXCETG-NSHDSACASA-N -1 3 313.401 3.987 20 0 DHADHM CS[C@H](C)CC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296042431 1027526289 /nfs/dbraw/zinc/52/62/89/1027526289.db2.gz MLYATDOTYAEHAW-SSDOTTSWSA-N -1 3 318.236 3.543 20 0 DHADHM Cc1nc(C(=O)OC(C)C)ccc1-c1cc(Cl)ccc1[O-] ZINC001245053174 1027676088 /nfs/dbraw/zinc/67/60/88/1027676088.db2.gz VZWDOEAVEFYSLV-UHFFFAOYSA-N -1 3 305.761 3.981 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1Cc2ccccc2CO1 ZINC000813698898 1027697665 /nfs/dbraw/zinc/69/76/65/1027697665.db2.gz HXCOSUYSXDQIHD-UHFFFAOYSA-N -1 3 311.362 3.695 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000296947418 1027766498 /nfs/dbraw/zinc/76/64/98/1027766498.db2.gz OPIOVCMNGFVAFG-WDEREUQCSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc([O-])c(CNC(C)(C)c2nc3ccccc3s2)n1 ZINC000527744092 1027868608 /nfs/dbraw/zinc/86/86/08/1027868608.db2.gz KMMXHYNEEDOVKD-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM O=C([N-][C@H]1CCc2cccc3cccc1c32)C(F)(F)C(F)F ZINC001134132602 1027910809 /nfs/dbraw/zinc/91/08/09/1027910809.db2.gz IZSIGWHHZAGLEE-LBPRGKRZSA-N -1 3 311.278 3.844 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448657835 1027949218 /nfs/dbraw/zinc/94/92/18/1027949218.db2.gz ANJZLXOGCDCXNW-KRWDZBQOSA-N -1 3 313.372 3.746 20 0 DHADHM CSc1ccc(C(=O)N2CC[C@H]2c2ccccc2F)c([O-])c1 ZINC000365592651 1027976218 /nfs/dbraw/zinc/97/62/18/1027976218.db2.gz WXDICINURWVXTP-HNNXBMFYSA-N -1 3 317.385 3.840 20 0 DHADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc([O-])c2ccccc2c1 ZINC000366200672 1028060854 /nfs/dbraw/zinc/06/08/54/1028060854.db2.gz GWFYGDYWCCYYGD-YZGWKJHDSA-N -1 3 315.372 3.614 20 0 DHADHM CC1CCC(N(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)CC1 ZINC000448807630 1028086398 /nfs/dbraw/zinc/08/63/98/1028086398.db2.gz AYRLHUDUFQCSPG-UHFFFAOYSA-N -1 3 305.393 3.644 20 0 DHADHM CC(C)CCN(C(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000448821961 1028104822 /nfs/dbraw/zinc/10/48/22/1028104822.db2.gz IAOUBCGSOCYBGR-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM CSc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000366788067 1028111403 /nfs/dbraw/zinc/11/14/03/1028111403.db2.gz GVKSNPOUNTZBLO-HIFRSBDPSA-N -1 3 323.483 3.614 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC000935120432 1028203457 /nfs/dbraw/zinc/20/34/57/1028203457.db2.gz IQPFNQKZRNUTKB-UHFFFAOYSA-N -1 3 307.419 3.843 20 0 DHADHM COc1cccc(C[C@H](C)CC(=O)Nc2cccc([O-])c2F)c1 ZINC000935138911 1028205358 /nfs/dbraw/zinc/20/53/58/1028205358.db2.gz YLHPRYSJJVUHRE-LBPRGKRZSA-N -1 3 317.360 3.747 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)c1ccccc1 ZINC000578926175 1028275045 /nfs/dbraw/zinc/27/50/45/1028275045.db2.gz YHTVOUKUZXDKMD-VXGBXAGGSA-N -1 3 303.789 3.968 20 0 DHADHM Cc1ccc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)s1 ZINC000049183484 1028397930 /nfs/dbraw/zinc/39/79/30/1028397930.db2.gz HQYYHPFYNRAQBF-SECBINFHSA-N -1 3 305.428 3.618 20 0 DHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000579649763 1028458417 /nfs/dbraw/zinc/45/84/17/1028458417.db2.gz NDPNQTSRCNZYRI-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564546267 1028473689 /nfs/dbraw/zinc/47/36/89/1028473689.db2.gz UUYSQYKMQWHWEP-HXPMCKFVSA-N -1 3 319.360 3.797 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC000565487625 1028594440 /nfs/dbraw/zinc/59/44/40/1028594440.db2.gz VYTWDOZAUSZAJR-NXEZZACHSA-N -1 3 312.207 3.520 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000626637102 1028628730 /nfs/dbraw/zinc/62/87/30/1028628730.db2.gz WCHSMAPAUXDGEE-LBPRGKRZSA-N -1 3 315.335 3.751 20 0 DHADHM Cc1nc(NC2CC2)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000748036784 1028646081 /nfs/dbraw/zinc/64/60/81/1028646081.db2.gz ZZHDDJUVUKFEQD-UHFFFAOYSA-N -1 3 323.805 3.637 20 0 DHADHM Cc1ncc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC001170808408 1028691649 /nfs/dbraw/zinc/69/16/49/1028691649.db2.gz OHSFRLMMLJYQOH-SNVBAGLBSA-N -1 3 312.394 3.801 20 0 DHADHM CC(C)(C)c1ncsc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001135368521 1028719630 /nfs/dbraw/zinc/71/96/30/1028719630.db2.gz DCVXPSYUNRLOMW-UHFFFAOYSA-N -1 3 311.382 3.886 20 0 DHADHM CCCCc1nc(CN(CC)C2CCC(C(=O)[O-])CC2)cs1 ZINC000566507808 1028734956 /nfs/dbraw/zinc/73/49/56/1028734956.db2.gz CJRSTIFDDCKNME-UHFFFAOYSA-N -1 3 324.490 3.951 20 0 DHADHM Cc1ccc(NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC001135566788 1028863665 /nfs/dbraw/zinc/86/36/65/1028863665.db2.gz VRSRWCHVIUMOKZ-UHFFFAOYSA-N -1 3 324.163 3.829 20 0 DHADHM [O-]c1ccc(F)c(CN2CC3(CCC3)[C@@H]2c2ccco2)c1F ZINC000449638701 1028887409 /nfs/dbraw/zinc/88/74/09/1028887409.db2.gz LTRXSKITWLZZHF-INIZCTEOSA-N -1 3 305.324 3.991 20 0 DHADHM CCN(Cc1cccc([O-])c1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000816514667 1028916769 /nfs/dbraw/zinc/91/67/69/1028916769.db2.gz FCWRXZUJVWJCQR-QGZVFWFLSA-N -1 3 319.832 3.910 20 0 DHADHM CC(=O)Nc1c(C)ccc(NCc2c(F)ccc([O-])c2F)c1C ZINC000816523659 1028931689 /nfs/dbraw/zinc/93/16/89/1028931689.db2.gz YZIOHXUNQYLSAM-UHFFFAOYSA-N -1 3 320.339 3.858 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(OC(F)F)cc2)c1F ZINC000816522585 1028932564 /nfs/dbraw/zinc/93/25/64/1028932564.db2.gz GBEYQKRKZXUTFE-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM CC[C@@H](C)CONC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000816976762 1029044534 /nfs/dbraw/zinc/04/45/34/1029044534.db2.gz JTRICSYPPKKEEJ-CYBMUJFWSA-N -1 3 315.369 3.892 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275400 1029063329 /nfs/dbraw/zinc/06/33/29/1029063329.db2.gz WQQHTQXMDUIAQW-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM CC[C@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000411200046 1029066375 /nfs/dbraw/zinc/06/63/75/1029066375.db2.gz ZUEYLEIHODLDRQ-CQSZACIVSA-N -1 3 311.381 3.518 20 0 DHADHM CCn1cc(CC(=O)[N-]OC2CCCCC2)c2ccccc21 ZINC000779321199 1029094027 /nfs/dbraw/zinc/09/40/27/1029094027.db2.gz WKVUUWAZRCYQGI-UHFFFAOYSA-N -1 3 300.402 3.584 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1OCC1CC1 ZINC000449980902 1029124854 /nfs/dbraw/zinc/12/48/54/1029124854.db2.gz VWTBYGAARGHKMH-UHFFFAOYSA-N -1 3 315.344 3.501 20 0 DHADHM C[C@H](CC(=O)[N-]OCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817324852 1029126501 /nfs/dbraw/zinc/12/65/01/1029126501.db2.gz QWZDXAQGWCVIBQ-SNVBAGLBSA-N -1 3 301.308 3.657 20 0 DHADHM COc1cccc([C@@H](C)C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000569158172 1029186888 /nfs/dbraw/zinc/18/68/88/1029186888.db2.gz QDWKUDXGUCNHNS-SNVBAGLBSA-N -1 3 305.761 3.796 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c([O-])c1 ZINC000817929027 1029273237 /nfs/dbraw/zinc/27/32/37/1029273237.db2.gz CLZGCYGZXDBTHY-HNNXBMFYSA-N -1 3 302.418 3.549 20 0 DHADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817951567 1029295488 /nfs/dbraw/zinc/29/54/88/1029295488.db2.gz GLWJLBVEOBFOFS-WMZOPIPTSA-N -1 3 324.424 3.691 20 0 DHADHM CC[C@H](NCc1c([O-])ccc(Cl)c1F)c1nccs1 ZINC000191145837 1029301743 /nfs/dbraw/zinc/30/17/43/1029301743.db2.gz ABDMAGMBFDQXMW-JTQLQIEISA-N -1 3 300.786 3.882 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@H]2CCCc2ccccc2)c([O-])c1 ZINC000817997803 1029303330 /nfs/dbraw/zinc/30/33/30/1029303330.db2.gz XNECHCNVZOJILK-QGZVFWFLSA-N -1 3 324.424 3.602 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000629373693 1029316154 /nfs/dbraw/zinc/31/61/54/1029316154.db2.gz LAIASEOPTJJJPX-GZBFAFLISA-N -1 3 311.784 3.554 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629373558 1029316510 /nfs/dbraw/zinc/31/65/10/1029316510.db2.gz JPXSUJGAEFHMOJ-BQFCYCMXSA-N -1 3 316.445 3.589 20 0 DHADHM CC(C)(C)c1cnc(SCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000570540585 1029382079 /nfs/dbraw/zinc/38/20/79/1029382079.db2.gz DTDZGVCLPCXWEZ-UHFFFAOYSA-N -1 3 305.403 3.637 20 0 DHADHM O=C(CO[C@@H]1CCCc2ccccc21)Nc1cccc([O-])c1F ZINC000570672336 1029403305 /nfs/dbraw/zinc/40/33/05/1029403305.db2.gz QADVLRVURLJVMY-MRXNPFEDSA-N -1 3 315.344 3.564 20 0 DHADHM O=C([N-][C@H]1C[C@H](c2ccccc2Cl)C1)C(F)(F)C(F)F ZINC000819255316 1029513517 /nfs/dbraw/zinc/51/35/17/1029513517.db2.gz YYLIVRPRKXSSKN-ZKCHVHJHSA-N -1 3 309.690 3.603 20 0 DHADHM CCN(CC)[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC000530006283 1029699693 /nfs/dbraw/zinc/69/96/93/1029699693.db2.gz NZPMQZRBHVPZTA-MRXNPFEDSA-N -1 3 316.376 3.553 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000390956197 1029723407 /nfs/dbraw/zinc/72/34/07/1029723407.db2.gz YUPPZINAJMGSFJ-SNVBAGLBSA-N -1 3 324.302 3.712 20 0 DHADHM CC(C)Cc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000820559456 1029745498 /nfs/dbraw/zinc/74/54/98/1029745498.db2.gz XCFANHTZWXGPIV-UHFFFAOYSA-N -1 3 310.806 3.953 20 0 DHADHM O=C([O-])c1ccc(F)c2c1CN(CCCC1CCCC1)CC2 ZINC000530167754 1029761424 /nfs/dbraw/zinc/76/14/24/1029761424.db2.gz CPNXLFXMALCFSA-UHFFFAOYSA-N -1 3 305.393 3.852 20 0 DHADHM Cc1cc(Cl)ccc1OCCCNC(=O)c1ccccc1[O-] ZINC001136402488 1029796917 /nfs/dbraw/zinc/79/69/17/1029796917.db2.gz BGANICUVPFVOKV-UHFFFAOYSA-N -1 3 319.788 3.553 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000794853446 1029937362 /nfs/dbraw/zinc/93/73/62/1029937362.db2.gz QVQAOBRBFZIRAS-LLVKDONJSA-N -1 3 317.385 3.580 20 0 DHADHM COCc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468407667 1029982074 /nfs/dbraw/zinc/98/20/74/1029982074.db2.gz HBFMVAWMOFZRSF-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000530719951 1029983123 /nfs/dbraw/zinc/98/31/23/1029983123.db2.gz WQIZLZXNJNOKBE-UHFFFAOYSA-N -1 3 323.392 3.873 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCCCc2cccc(F)c2)c1 ZINC001136676771 1030207477 /nfs/dbraw/zinc/20/74/77/1030207477.db2.gz ORZVOZBCQIDWFM-UHFFFAOYSA-N -1 3 319.401 3.616 20 0 DHADHM CC1(C)CCc2onc(C(=O)Nc3c([O-])cccc3Cl)c2C1 ZINC000823162229 1030221194 /nfs/dbraw/zinc/22/11/94/1030221194.db2.gz ZAPIYVPKMFYQFI-UHFFFAOYSA-N -1 3 320.776 3.801 20 0 DHADHM CCc1cccc2c(CCNC(=O)c3ccc(C)cc3[O-])c[nH]c21 ZINC001136785469 1030413885 /nfs/dbraw/zinc/41/38/85/1030413885.db2.gz ATECGGVXDMXUQS-UHFFFAOYSA-N -1 3 322.408 3.717 20 0 DHADHM CC(C)c1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016719241 1030476326 /nfs/dbraw/zinc/47/63/26/1030476326.db2.gz MRBMVXJEHBXICY-LFIBNONCSA-N -1 3 306.365 3.533 20 0 DHADHM CCCCCC[C@H](C)CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824154467 1030484932 /nfs/dbraw/zinc/48/49/32/1030484932.db2.gz OIUMOFPAEZVCRL-ZDUSSCGKSA-N -1 3 321.465 3.839 20 0 DHADHM O=C([N-]c1nc(C2CC2)cs1)c1scnc1C(F)(F)F ZINC000291489176 1030524148 /nfs/dbraw/zinc/52/41/48/1030524148.db2.gz NUXMRYTZINKKTI-UHFFFAOYSA-N -1 3 319.333 3.748 20 0 DHADHM CC(C)c1scnc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000291588084 1030559955 /nfs/dbraw/zinc/55/99/55/1030559955.db2.gz YKRKADJRAWGGLH-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CSc1ccc(Cl)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000824477714 1030561250 /nfs/dbraw/zinc/56/12/50/1030561250.db2.gz DQTLPSYORDNXOC-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(Cl)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000824477714 1030561255 /nfs/dbraw/zinc/56/12/55/1030561255.db2.gz DQTLPSYORDNXOC-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CC1(C)C(=O)Nc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212010833 1030655775 /nfs/dbraw/zinc/65/57/75/1030655775.db2.gz BCMSRBZWLRPGMN-UHFFFAOYSA-N -1 3 304.296 3.644 20 0 DHADHM Nc1ccc(OC(F)(F)F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212013734 1030657187 /nfs/dbraw/zinc/65/71/87/1030657187.db2.gz HICRBCOEOYIDEL-UHFFFAOYSA-N -1 3 320.217 3.895 20 0 DHADHM CCc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)sc1C ZINC000359018948 1030734408 /nfs/dbraw/zinc/73/44/08/1030734408.db2.gz OBFVTOFGHMOSBA-UHFFFAOYSA-N -1 3 316.386 3.558 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC001137002748 1030753940 /nfs/dbraw/zinc/75/39/40/1030753940.db2.gz TUOYXKTVKZCBRG-DOTOQJQBSA-N -1 3 309.409 3.966 20 0 DHADHM CCCCC[C@@H](C)CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305214 1030771173 /nfs/dbraw/zinc/77/11/73/1030771173.db2.gz VJYAROPVNFEDCW-CYBMUJFWSA-N -1 3 319.449 3.672 20 0 DHADHM CCCCCC[C@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304820 1030772233 /nfs/dbraw/zinc/77/22/33/1030772233.db2.gz KWQTTZPRFYQUSI-ZDUSSCGKSA-N -1 3 319.449 3.672 20 0 DHADHM Cc1ccc2c(C(=O)Nc3n[n-]c(-c4ccco4)n3)csc2c1 ZINC000359129969 1030791876 /nfs/dbraw/zinc/79/18/76/1030791876.db2.gz XCUIJGRDAVWMCF-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM CSC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000869644904 1030828228 /nfs/dbraw/zinc/82/82/28/1030828228.db2.gz MWNRJDAJLRDAAI-UHFFFAOYSA-N -1 3 301.411 3.513 20 0 DHADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ncccc1[O-] ZINC000359184596 1030830027 /nfs/dbraw/zinc/83/00/27/1030830027.db2.gz ALZJWOVPEMJGMU-AWEZNQCLSA-N -1 3 321.380 3.645 20 0 DHADHM COc1cccc2nc(NC(=O)c3c(C)cccc3[O-])sc21 ZINC001143691247 1030904810 /nfs/dbraw/zinc/90/48/10/1030904810.db2.gz IRIXTJVVCDVZFY-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@]34C[C@@H]3CCCC4)c2)n1 ZINC000870213956 1030943595 /nfs/dbraw/zinc/94/35/95/1030943595.db2.gz IBIKCPSAOWLIBI-LIRRHRJNSA-N -1 3 324.380 3.643 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000292385192 1030974677 /nfs/dbraw/zinc/97/46/77/1030974677.db2.gz ZLJHBHWELRYMKC-AWEZNQCLSA-N -1 3 316.401 3.758 20 0 DHADHM O=C(C[C@H]1CCc2ccccc2C1)[N-]OCCCC(F)(F)F ZINC000871213691 1031164100 /nfs/dbraw/zinc/16/41/00/1031164100.db2.gz VGQOCYJVIZMAFT-LBPRGKRZSA-N -1 3 315.335 3.572 20 0 DHADHM C[C@]1(C(=O)[N-]OCCCC(F)(F)F)CCc2ccccc2C1 ZINC000871213719 1031165410 /nfs/dbraw/zinc/16/54/10/1031165410.db2.gz YDCCHLWPFVPHRG-HNNXBMFYSA-N -1 3 315.335 3.572 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CC1CCC(C)CC1)CC2 ZINC000871620509 1031248673 /nfs/dbraw/zinc/24/86/73/1031248673.db2.gz DNEXPVRKUHGKJS-UHFFFAOYSA-N -1 3 317.429 3.578 20 0 DHADHM CCOc1cccc(F)c1CN[C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000871874289 1031364798 /nfs/dbraw/zinc/36/47/98/1031364798.db2.gz KGQNYOAZMNHAMX-WBMJQRKESA-N -1 3 323.408 3.594 20 0 DHADHM CC(C)Oc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872025163 1031407737 /nfs/dbraw/zinc/40/77/37/1031407737.db2.gz HFPAVERGMFZWRD-LBPRGKRZSA-N -1 3 304.365 3.564 20 0 DHADHM COCc1cc(CN[C@H](C)c2cccc([O-])c2F)ccc1F ZINC000872038502 1031422038 /nfs/dbraw/zinc/42/20/38/1031422038.db2.gz OEEBBEWGBAZAHZ-LLVKDONJSA-N -1 3 307.340 3.668 20 0 DHADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872046598 1031433531 /nfs/dbraw/zinc/43/35/31/1031433531.db2.gz JLKBCPBDNBDXQC-DOMZBBRYSA-N -1 3 301.361 3.932 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2cccc([O-])c2F)cc1CO ZINC000872059619 1031451273 /nfs/dbraw/zinc/45/12/73/1031451273.db2.gz JHMWSESYPFKZQL-NSHDSACASA-N -1 3 305.349 3.595 20 0 DHADHM C[C@H](NCc1cc(COC(C)(C)C)on1)c1cccc([O-])c1F ZINC000872064042 1031458315 /nfs/dbraw/zinc/45/83/15/1031458315.db2.gz VTFLUFDWUKAVCX-NSHDSACASA-N -1 3 322.380 3.685 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000872160872 1031544300 /nfs/dbraw/zinc/54/43/00/1031544300.db2.gz NWASDPHPLXYFJV-SNVBAGLBSA-N -1 3 319.323 3.621 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H](OC3CCC3)CC2)c1F ZINC000872259082 1031561412 /nfs/dbraw/zinc/56/14/12/1031561412.db2.gz KZDKXFROKNBTCZ-ZDUSSCGKSA-N -1 3 311.372 3.594 20 0 DHADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c([O-])c1 ZINC000293724834 1031589528 /nfs/dbraw/zinc/58/95/28/1031589528.db2.gz KFHXRUSBIUOMPA-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM CN(CC/C=C/c1cccnc1)Cc1c(F)cc([O-])cc1F ZINC001144561323 1031712342 /nfs/dbraw/zinc/71/23/42/1031712342.db2.gz GUWWJHLOUQMPSM-GORDUTHDSA-N -1 3 304.340 3.601 20 0 DHADHM COc1ccccc1C[C@@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144562086 1031712658 /nfs/dbraw/zinc/71/26/58/1031712658.db2.gz YDNMMAGLVTVIKS-GFCCVEGCSA-N -1 3 321.367 3.742 20 0 DHADHM COc1cccc([C@H]2CCN(Cc3c(F)cc([O-])cc3F)C2)c1 ZINC001144561639 1031713923 /nfs/dbraw/zinc/71/39/23/1031713923.db2.gz KNGGOTSOYFGNGW-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM CC[C@H](C)C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001144633042 1031779295 /nfs/dbraw/zinc/77/92/95/1031779295.db2.gz BEELIBTWUCNVOH-GRTSSRMGSA-N -1 3 307.409 3.795 20 0 DHADHM COCCOc1cc(C)ccc1NCc1c(F)ccc([O-])c1F ZINC000294205564 1031871044 /nfs/dbraw/zinc/87/10/44/1031871044.db2.gz KZWBLUWUSREHMF-UHFFFAOYSA-N -1 3 323.339 3.616 20 0 DHADHM CC(C)(C)c1csc(COc2ccc3c([O-])coc3c2)n1 ZINC000094966741 1031879722 /nfs/dbraw/zinc/87/97/22/1031879722.db2.gz NXIIDVBHZZDULT-UHFFFAOYSA-N -1 3 303.383 3.595 20 0 DHADHM [O-]c1cccc(CN2CC[C@@H](Cc3nccs3)C2)c1Cl ZINC000898068992 1031940753 /nfs/dbraw/zinc/94/07/53/1031940753.db2.gz SYXGBZYPRSIVEL-NSHDSACASA-N -1 3 308.834 3.567 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](CC)CO1 ZINC000846375241 1031968251 /nfs/dbraw/zinc/96/82/51/1031968251.db2.gz NKIYGFFCGIWHBL-HOTGVXAUSA-N -1 3 313.397 3.575 20 0 DHADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OC1CCCCC1 ZINC000777963723 1032042434 /nfs/dbraw/zinc/04/24/34/1032042434.db2.gz YHZLTXMJEYVFPX-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM CCc1cccc2c(CC(=O)[N-]OC3CCCCC3)c[nH]c21 ZINC000777961616 1032046298 /nfs/dbraw/zinc/04/62/98/1032046298.db2.gz LKAUEENWOCRGPU-UHFFFAOYSA-N -1 3 300.402 3.653 20 0 DHADHM O=C(CCCc1c[nH]c2ccccc12)[N-]OC1CCCCC1 ZINC000777962825 1032047134 /nfs/dbraw/zinc/04/71/34/1032047134.db2.gz FFDUAWPWBYHAHS-UHFFFAOYSA-N -1 3 300.402 3.871 20 0 DHADHM CCC(CC)CN(CC)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319315 1033338069 /nfs/dbraw/zinc/33/80/69/1033338069.db2.gz ZEMMLOZZBVEQRQ-UHFFFAOYSA-N -1 3 319.478 3.718 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000877898397 1033502976 /nfs/dbraw/zinc/50/29/76/1033502976.db2.gz LANZURVVTXDYPY-MRXNPFEDSA-N -1 3 321.380 3.779 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccn(C2CCCC2)n1 ZINC000552780119 1033509908 /nfs/dbraw/zinc/50/99/08/1033509908.db2.gz XPBXOIUOGXLMQM-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM CC(C)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000877928678 1033518065 /nfs/dbraw/zinc/51/80/65/1033518065.db2.gz DWWMWSCGUSZAIG-GOSISDBHSA-N -1 3 323.396 3.929 20 0 DHADHM Cc1ccc2c(c1)N(Cc1nnc(-c3ccccc3[O-])o1)CCC2 ZINC000878093925 1033577614 /nfs/dbraw/zinc/57/76/14/1033577614.db2.gz LPZKMPPYMCPUHC-UHFFFAOYSA-N -1 3 321.380 3.703 20 0 DHADHM Cc1ccc(C)c(CN(C)Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC000878510169 1033731968 /nfs/dbraw/zinc/73/19/68/1033731968.db2.gz FPNUJOMZTPGYCB-UHFFFAOYSA-N -1 3 323.396 3.691 20 0 DHADHM CC(=O)Nc1cccc(Nc2cccc([O-])c2Br)c1 ZINC001173834160 1033916795 /nfs/dbraw/zinc/91/67/95/1033916795.db2.gz KQXKIIXLXSKKJD-UHFFFAOYSA-N -1 3 321.174 3.857 20 0 DHADHM COc1ccc(OC)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001173916043 1033946951 /nfs/dbraw/zinc/94/69/51/1033946951.db2.gz KTEJWKSJYXCOCT-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299814362 1033964294 /nfs/dbraw/zinc/96/42/94/1033964294.db2.gz SUWSGIHMZNZTTJ-DIFFPNOSSA-N -1 3 321.421 3.520 20 0 DHADHM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299814362 1033964311 /nfs/dbraw/zinc/96/43/11/1033964311.db2.gz SUWSGIHMZNZTTJ-DIFFPNOSSA-N -1 3 321.421 3.520 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([O-])c1 ZINC000863241635 1034039207 /nfs/dbraw/zinc/03/92/07/1034039207.db2.gz BGIPLQJZVMYEMS-RYQLBKOJSA-N -1 3 307.393 3.576 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)c2ccccc12 ZINC000480069626 1034051715 /nfs/dbraw/zinc/05/17/15/1034051715.db2.gz LRPFBBMCCZZPGZ-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174062208 1034065707 /nfs/dbraw/zinc/06/57/07/1034065707.db2.gz PLLJVCXGRGUOKX-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cncc2ccccc21 ZINC001174098156 1034108509 /nfs/dbraw/zinc/10/85/09/1034108509.db2.gz FTQCKIPABTWCEV-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174187499 1034206915 /nfs/dbraw/zinc/20/69/15/1034206915.db2.gz ARVDDBBOSKSEIT-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174194922 1034215835 /nfs/dbraw/zinc/21/58/35/1034215835.db2.gz PPULDVMOLOTOOZ-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM CC(=O)NCc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001174234712 1034240212 /nfs/dbraw/zinc/24/02/12/1034240212.db2.gz XBMFDNXHOQHYJA-UHFFFAOYSA-N -1 3 304.777 3.734 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174321588 1034286557 /nfs/dbraw/zinc/28/65/57/1034286557.db2.gz HRAANIRUQSFTNW-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3[nH]cnc3c2)CC)n1 ZINC000864086502 1034288472 /nfs/dbraw/zinc/28/84/72/1034288472.db2.gz GOLVUGTXKGGKSB-MDWZMJQESA-N -1 3 308.385 3.549 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3nc[nH]c3c2)CC)n1 ZINC000864086502 1034288485 /nfs/dbraw/zinc/28/84/85/1034288485.db2.gz GOLVUGTXKGGKSB-MDWZMJQESA-N -1 3 308.385 3.549 20 0 DHADHM [O-]c1cc(F)cc(F)c1N=C1CCCN(Cc2ccccc2)C1 ZINC001174397376 1034327330 /nfs/dbraw/zinc/32/73/30/1034327330.db2.gz WOHSLLDCDSZFLO-UHFFFAOYSA-N -1 3 316.351 3.872 20 0 DHADHM CCOc1c(Cl)cc(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001174534042 1034451068 /nfs/dbraw/zinc/45/10/68/1034451068.db2.gz KTCGKYVLDNHVMJ-UHFFFAOYSA-N -1 3 314.172 3.940 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(N3CCCCC3)nc2)cc1F ZINC001174523233 1034480272 /nfs/dbraw/zinc/48/02/72/1034480272.db2.gz HCUYXHHWYJJUPW-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM CCC[C@H](NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000185030034 1034522187 /nfs/dbraw/zinc/52/21/87/1034522187.db2.gz RBHYKTGEJJACEX-ZDUSSCGKSA-N -1 3 324.833 3.806 20 0 DHADHM CN(C)[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])s3)cccc21 ZINC001174808955 1034635704 /nfs/dbraw/zinc/63/57/04/1034635704.db2.gz XMHJITQHLNBTBF-LBPRGKRZSA-N -1 3 318.398 3.575 20 0 DHADHM Cc1nc2c(cccc2C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000350654491 1034658670 /nfs/dbraw/zinc/65/86/70/1034658670.db2.gz BGZITCMUROLCSP-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2cccc(Cl)c2F)n1 ZINC000186889297 1034669455 /nfs/dbraw/zinc/66/94/55/1034669455.db2.gz KBNBIHQUXGMGEI-UHFFFAOYSA-N -1 3 323.799 3.562 20 0 DHADHM CC(C)(C)NC(=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175100428 1034781132 /nfs/dbraw/zinc/78/11/32/1034781132.db2.gz UAWKOUJGPQTYRR-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM COC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(Cl)c1 ZINC001175102329 1034783500 /nfs/dbraw/zinc/78/35/00/1034783500.db2.gz IVTKMHOMVBDSLT-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM O=c1cc(Nc2ccc(F)cc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001175101367 1034784724 /nfs/dbraw/zinc/78/47/24/1034784724.db2.gz GSCNGVRILLIWNM-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)ccc1F ZINC000192737536 1034815302 /nfs/dbraw/zinc/81/53/02/1034815302.db2.gz VCSRPWBLXOCIJI-QMTHXVAHSA-N -1 3 307.344 3.571 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(CC)c2[O-])C1 ZINC000162878847 1034872659 /nfs/dbraw/zinc/87/26/59/1034872659.db2.gz FVCUQAMVLGJHMJ-ZIAGYGMSSA-N -1 3 307.459 3.701 20 0 DHADHM CCOc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001175240630 1034885478 /nfs/dbraw/zinc/88/54/78/1034885478.db2.gz RGEXTAQXUIXULM-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM COC(=O)c1cc(Cl)sc1Nc1c(F)ccc([O-])c1F ZINC001175263196 1034912564 /nfs/dbraw/zinc/91/25/64/1034912564.db2.gz GRHHGDLNJGPUIG-UHFFFAOYSA-N -1 3 319.716 3.916 20 0 DHADHM CC1(C)C(=O)Nc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175268210 1034913775 /nfs/dbraw/zinc/91/37/75/1034913775.db2.gz NEKWEOIIZNVNCD-UHFFFAOYSA-N -1 3 304.296 3.644 20 0 DHADHM COCCOc1ccc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175267580 1034914331 /nfs/dbraw/zinc/91/43/31/1034914331.db2.gz ASXPUGFSSVAHDK-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2-c2cccc(F)c2)c1F ZINC001175266653 1034914926 /nfs/dbraw/zinc/91/49/26/1034914926.db2.gz VNDPXVKSQHUJHM-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM COC(=O)c1cc(Cl)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268178 1034914977 /nfs/dbraw/zinc/91/49/77/1034914977.db2.gz JLJICMUUGUPNDM-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CN1c2cc(Nc3c(F)ccc([O-])c3F)ccc2C(C)(C)C1=O ZINC001175270471 1034916143 /nfs/dbraw/zinc/91/61/43/1034916143.db2.gz AJZXZXMUEVYIEB-UHFFFAOYSA-N -1 3 318.323 3.668 20 0 DHADHM Cc1noc(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2)n1 ZINC001175268826 1034916630 /nfs/dbraw/zinc/91/66/30/1034916630.db2.gz XXDBWBGEJORNHK-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC001175430099 1034980066 /nfs/dbraw/zinc/98/00/66/1034980066.db2.gz FHXWAFBZCTWUPY-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM COc1cccc2c(Nc3ccc(-c4nn[n-]n4)cc3)cccc12 ZINC001175432044 1034981043 /nfs/dbraw/zinc/98/10/43/1034981043.db2.gz QWZIYLTZVQHYDH-UHFFFAOYSA-N -1 3 317.352 3.772 20 0 DHADHM Cc1c2c[nH]nc2ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175465094 1034989668 /nfs/dbraw/zinc/98/96/68/1034989668.db2.gz KFOMLILCRNMSHV-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM Cc1ccc(Nc2ccc(C(=O)NC3CC3)cc2)c(Cl)c1[O-] ZINC001175609041 1035063025 /nfs/dbraw/zinc/06/30/25/1035063025.db2.gz UYCWCXCUXVBNKK-UHFFFAOYSA-N -1 3 316.788 3.990 20 0 DHADHM CC(C)(C)c1nsc([N-]c2cnc(N)cc2C(F)(F)F)n1 ZINC001175710031 1035108005 /nfs/dbraw/zinc/10/80/05/1035108005.db2.gz QTOJEUMQCYPWQQ-UHFFFAOYSA-N -1 3 317.340 3.575 20 0 DHADHM Cn1ccc2c1cccc2Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175868429 1035148727 /nfs/dbraw/zinc/14/87/27/1035148727.db2.gz KRVUFKSZGBWOLA-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM O=c1cc(Nc2ccc3scnc3c2)[n-]n1-c1ccccc1 ZINC001175915684 1035160407 /nfs/dbraw/zinc/16/04/07/1035160407.db2.gz VVXYZCMFCPLZAH-UHFFFAOYSA-N -1 3 308.366 3.931 20 0 DHADHM COC(=O)C1(c2ccc(Nc3ccc([O-])c(F)c3F)cc2)CC1 ZINC001175920189 1035161258 /nfs/dbraw/zinc/16/12/58/1035161258.db2.gz HJEAMOMPOFCAPU-UHFFFAOYSA-N -1 3 319.307 3.619 20 0 DHADHM COC(=O)c1c(Cl)cc(Cl)nc1[N-]c1c(C)noc1C ZINC001176178716 1035213339 /nfs/dbraw/zinc/21/33/39/1035213339.db2.gz JDVCLBICUNSHOM-UHFFFAOYSA-N -1 3 316.144 3.523 20 0 DHADHM CCc1nnc([N-]c2c(Cl)cccc2COC(C)=O)s1 ZINC001212774485 1035241204 /nfs/dbraw/zinc/24/12/04/1035241204.db2.gz PSAGEOHBZFDQLX-UHFFFAOYSA-N -1 3 311.794 3.561 20 0 DHADHM CC(C)(C)c1nnc([N-]c2cc(F)cc(N3CCCC3)c2)o1 ZINC001176416938 1035269047 /nfs/dbraw/zinc/26/90/47/1035269047.db2.gz GZEYSSIXUMUGAC-UHFFFAOYSA-N -1 3 304.369 3.850 20 0 DHADHM [O-]c1cc(Nc2ccnn2Cc2ccccc2)c(F)cc1F ZINC001176706045 1035325352 /nfs/dbraw/zinc/32/53/52/1035325352.db2.gz WPCUWVZVUDWLFN-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(C)CCN(C(=O)c1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000436537436 1035345477 /nfs/dbraw/zinc/34/54/77/1035345477.db2.gz HCACNJIEMISGAT-UHFFFAOYSA-N -1 3 319.401 3.552 20 0 DHADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccc(F)c(C)c1 ZINC001177199570 1035354759 /nfs/dbraw/zinc/35/47/59/1035354759.db2.gz MXSNHLSUOUYNNB-UHFFFAOYSA-N -1 3 303.333 3.515 20 0 DHADHM CCO[C@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C1CCCC1 ZINC000904139194 1035372767 /nfs/dbraw/zinc/37/27/67/1035372767.db2.gz GZCLMHZUBRENNR-INIZCTEOSA-N -1 3 320.364 3.773 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCCc3sccc3C2)c1 ZINC000668411443 1035430131 /nfs/dbraw/zinc/43/01/31/1035430131.db2.gz LKWFZNVPHZGXGU-UHFFFAOYSA-N -1 3 319.451 3.764 20 0 DHADHM CCCC[C@H](C)N(CCCC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436709958 1035471282 /nfs/dbraw/zinc/47/12/82/1035471282.db2.gz PYPYDBTXJYWABT-ZDUSSCGKSA-N -1 3 321.417 3.942 20 0 DHADHM O=S(=O)([N-]CC[C@@H]1CC=CCC1)c1cc(F)ccc1Cl ZINC001193596092 1035671712 /nfs/dbraw/zinc/67/17/12/1035671712.db2.gz PKBAPMFEUMRIHN-LLVKDONJSA-N -1 3 317.813 3.504 20 0 DHADHM CC(C)(C)Cc1ncc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC000906058653 1035749377 /nfs/dbraw/zinc/74/93/77/1035749377.db2.gz QCNFUBNMLOTFHE-UHFFFAOYSA-N -1 3 311.357 3.657 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc2ccccc2cc1O ZINC001193936654 1035763732 /nfs/dbraw/zinc/76/37/32/1035763732.db2.gz RDIPESXOOIJVDP-UHFFFAOYSA-N -1 3 309.321 3.517 20 0 DHADHM Cc1ccc(NC(=O)c2c(C)cc(O)cc2[O-])cc1OC(F)F ZINC001193936027 1035765887 /nfs/dbraw/zinc/76/58/87/1035765887.db2.gz IEVKCPLNGCLYCC-UHFFFAOYSA-N -1 3 323.295 3.568 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCOCC23CCCC3)c([O-])c1 ZINC001181241559 1035864990 /nfs/dbraw/zinc/86/49/90/1035864990.db2.gz JKBHQANBJUEJBG-KRWDZBQOSA-N -1 3 317.429 3.595 20 0 DHADHM CCC[C@@H](C)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001194232641 1035866177 /nfs/dbraw/zinc/86/61/77/1035866177.db2.gz AKQXFRGWPYLCGR-SECBINFHSA-N -1 3 309.884 3.815 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])Oc1ccccc1 ZINC001194248009 1035890390 /nfs/dbraw/zinc/89/03/90/1035890390.db2.gz VSIOOWRGDMDGKU-UHFFFAOYSA-N -1 3 308.131 3.766 20 0 DHADHM CC(C)(C)COC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194392166 1035919883 /nfs/dbraw/zinc/91/98/83/1035919883.db2.gz TWOYZXFGCKCWAT-UHFFFAOYSA-N -1 3 323.389 3.942 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccc(C(F)(F)F)o1 ZINC001194404465 1035921883 /nfs/dbraw/zinc/92/18/83/1035921883.db2.gz ACOOBLMMFDMXBJ-UHFFFAOYSA-N -1 3 314.141 3.558 20 0 DHADHM COc1ccc(OC(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001194535304 1035952578 /nfs/dbraw/zinc/95/25/78/1035952578.db2.gz QWZOQVMDJJIPSP-UHFFFAOYSA-N -1 3 307.733 3.974 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)cc1C ZINC001194643407 1035977925 /nfs/dbraw/zinc/97/79/25/1035977925.db2.gz VDDKQVGTIPFHIC-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181778436 1035989679 /nfs/dbraw/zinc/98/96/79/1035989679.db2.gz PJABCYLKCWGRFE-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cnccc3C)n[n-]2)o1 ZINC000773945150 1035997627 /nfs/dbraw/zinc/99/76/27/1035997627.db2.gz PDWZOVKUAFHWMK-LBPRGKRZSA-N -1 3 311.341 3.600 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cnccc3C)[n-]n2)o1 ZINC000773945150 1035997641 /nfs/dbraw/zinc/99/76/41/1035997641.db2.gz PDWZOVKUAFHWMK-LBPRGKRZSA-N -1 3 311.341 3.600 20 0 DHADHM Cc1ccc2cccnc2c1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194782557 1036019779 /nfs/dbraw/zinc/01/97/79/1036019779.db2.gz UAEGHAZEGGRPDG-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc(C2(C(=O)NCc3ncccc3[O-])CCCCC2)cc1 ZINC001181873845 1036026844 /nfs/dbraw/zinc/02/68/44/1036026844.db2.gz LJMPRRQXKOOCQD-UHFFFAOYSA-N -1 3 324.424 3.614 20 0 DHADHM CCC1(CC)C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001181882465 1036032390 /nfs/dbraw/zinc/03/23/90/1036032390.db2.gz IVQGWTVREVXSEG-SNVBAGLBSA-N -1 3 312.207 3.920 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H](CCF)C2)c1Br ZINC000668591660 1036165574 /nfs/dbraw/zinc/16/55/74/1036165574.db2.gz FIWNPGNECCBQAK-NSHDSACASA-N -1 3 316.214 3.726 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCCC1(F)F ZINC001195327447 1036203573 /nfs/dbraw/zinc/20/35/73/1036203573.db2.gz CVBKZMBUYZWWHN-LLVKDONJSA-N -1 3 323.792 3.505 20 0 DHADHM CC(C)(C)OCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775667364 1036303186 /nfs/dbraw/zinc/30/31/86/1036303186.db2.gz PHWPIKXZEZZHSQ-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775667364 1036303204 /nfs/dbraw/zinc/30/32/04/1036303204.db2.gz PHWPIKXZEZZHSQ-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM FC(F)(F)[C@@H]([N-]c1ncc2ccsc2n1)c1ccccn1 ZINC001168480000 1036321100 /nfs/dbraw/zinc/32/11/00/1036321100.db2.gz VUMFKCUXLPIURX-JTQLQIEISA-N -1 3 310.304 3.802 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccnc(NC2CCC2)c1 ZINC000908411675 1036404587 /nfs/dbraw/zinc/40/45/87/1036404587.db2.gz BZMVJPRGRWERBL-UHFFFAOYSA-N -1 3 317.776 3.657 20 0 DHADHM CCc1cccc(C(=O)N2CC=C(c3ccccc3C)C2)c1[O-] ZINC000541863039 1036445824 /nfs/dbraw/zinc/44/58/24/1036445824.db2.gz NUYJHPCGQOUKEZ-UHFFFAOYSA-N -1 3 307.393 3.802 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)CNc2ccccc2)c([O-])c1 ZINC001182919733 1036474378 /nfs/dbraw/zinc/47/43/78/1036474378.db2.gz OTGDHQDZSTUOBL-CQSZACIVSA-N -1 3 312.413 3.746 20 0 DHADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)(C)C ZINC001182931781 1036494091 /nfs/dbraw/zinc/49/40/91/1036494091.db2.gz VDENCDSXEUCNDP-NSHDSACASA-N -1 3 304.394 3.774 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c2cccc(F)c21 ZINC000762077739 1036506531 /nfs/dbraw/zinc/50/65/31/1036506531.db2.gz WZDQIKWDQGRIHG-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2cccc(F)c2Cl)no1 ZINC000762126706 1036541646 /nfs/dbraw/zinc/54/16/46/1036541646.db2.gz GERBTZLZMUNYFY-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM C[C@@H](C(=O)Nc1cncc([O-])c1)c1ccc(F)c2ccccc21 ZINC001183502967 1036611772 /nfs/dbraw/zinc/61/17/72/1036611772.db2.gz RXASJBZVNVWWHW-LLVKDONJSA-N -1 3 310.328 3.822 20 0 DHADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(C)c(F)c1 ZINC001168487994 1036633279 /nfs/dbraw/zinc/63/32/79/1036633279.db2.gz QZEJAPQPZBBWDD-IUODEOHRSA-N -1 3 303.381 3.740 20 0 DHADHM O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000915198231 1036695929 /nfs/dbraw/zinc/69/59/29/1036695929.db2.gz GBRAMZYMGKGWNP-RMKNXTFCSA-N -1 3 318.170 3.807 20 0 DHADHM COc1cc(OC)c(NCc2c([O-])cccc2Cl)cc1F ZINC000151905004 1036710083 /nfs/dbraw/zinc/71/00/83/1036710083.db2.gz USUBMHXVOAXQOT-UHFFFAOYSA-N -1 3 311.740 3.814 20 0 DHADHM CC(C)(C)Sc1ccccc1[N-]C(=O)c1ncc(F)cn1 ZINC001197209597 1036711109 /nfs/dbraw/zinc/71/11/09/1036711109.db2.gz ODQDXFXTNOPSEE-UHFFFAOYSA-N -1 3 305.378 3.759 20 0 DHADHM CC(C)Oc1ncc(Cl)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001203311655 1036791443 /nfs/dbraw/zinc/79/14/43/1036791443.db2.gz QNNCLWGOXOPZCV-UHFFFAOYSA-N -1 3 320.780 3.639 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)c1ccccc1Cl ZINC001184479743 1036859064 /nfs/dbraw/zinc/85/90/64/1036859064.db2.gz ZFASJZJYQJTQCP-SNVBAGLBSA-N -1 3 317.772 3.990 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000488246265 1036912931 /nfs/dbraw/zinc/91/29/31/1036912931.db2.gz TWEUAMQPYJKXFV-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM C[C@@H]1CC/C(=C/C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000762820000 1036951631 /nfs/dbraw/zinc/95/16/31/1036951631.db2.gz WXWRKUVHZPSQBG-SBMLRHLQSA-N -1 3 310.191 3.840 20 0 DHADHM Cc1ccc(F)c(NC(=O)[N-]c2cc(-c3ccncc3)no2)c1 ZINC001185228683 1037073499 /nfs/dbraw/zinc/07/34/99/1037073499.db2.gz IWADMQVSKKWRFD-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC001185330288 1037112979 /nfs/dbraw/zinc/11/29/79/1037112979.db2.gz SJIRJRFJLOENRY-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM CN(C)c1ccc(NC(=S)Nc2ccc(Cl)cc2[O-])cc1 ZINC001198758510 1037124831 /nfs/dbraw/zinc/12/48/31/1037124831.db2.gz GSMRFEAYVQQQCF-UHFFFAOYSA-N -1 3 321.833 3.921 20 0 DHADHM CSc1nc(NCc2ccc([O-])c(F)c2)cc(C(F)F)n1 ZINC001185478784 1037154425 /nfs/dbraw/zinc/15/44/25/1037154425.db2.gz NIIMBINJDKNBHU-UHFFFAOYSA-N -1 3 315.320 3.593 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Cl ZINC001185485669 1037157214 /nfs/dbraw/zinc/15/72/14/1037157214.db2.gz WVAOLUKUAFDXAY-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c(C)c1 ZINC001198944066 1037176220 /nfs/dbraw/zinc/17/62/20/1037176220.db2.gz YEDXCRHVKKNRFQ-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM Cc1conc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000154604143 1037205298 /nfs/dbraw/zinc/20/52/98/1037205298.db2.gz KHGIFAFQLFIGMJ-UHFFFAOYSA-N -1 3 317.732 3.852 20 0 DHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC001185909748 1037263179 /nfs/dbraw/zinc/26/31/79/1037263179.db2.gz ZDHWEASFNCQHFM-GHMZBOCLSA-N -1 3 319.829 3.584 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c1[O-] ZINC000912041670 1037278538 /nfs/dbraw/zinc/27/85/38/1037278538.db2.gz MGJKUGKGGGXHGY-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM Cc1c(Cl)onc1C(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001199670868 1037300883 /nfs/dbraw/zinc/30/08/83/1037300883.db2.gz KAFQKTJSVXPHLQ-UHFFFAOYSA-N -1 3 321.695 3.683 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)C)nc2Cl)n1 ZINC001199696739 1037322852 /nfs/dbraw/zinc/32/28/52/1037322852.db2.gz PYLWZMDLNIQYEA-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM O=C(CCc1cc(F)ccc1F)Nc1cc(Cl)ccc1[O-] ZINC000054141307 1037326738 /nfs/dbraw/zinc/32/67/38/1037326738.db2.gz PRHWRXKWFPQLGJ-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccccc1 ZINC000054771952 1037373137 /nfs/dbraw/zinc/37/31/37/1037373137.db2.gz KMTJTSNGPNNNRX-SFHVURJKSA-N -1 3 318.376 3.505 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cccc(OC(C)C)c2)n1 ZINC000763207911 1037476184 /nfs/dbraw/zinc/47/61/84/1037476184.db2.gz FKDXHQLRYRADDK-UHFFFAOYSA-N -1 3 304.415 3.711 20 0 DHADHM COc1ccc2c(c1)nccc2Nc1ncc(Cl)cc1[O-] ZINC001203523527 1037478598 /nfs/dbraw/zinc/47/85/98/1037478598.db2.gz RFFKTOLYSJNIQE-UHFFFAOYSA-N -1 3 301.733 3.741 20 0 DHADHM COc1ccc(Cl)cc1CSCc1nc(C)cc(=O)[n-]1 ZINC000763210425 1037485439 /nfs/dbraw/zinc/48/54/39/1037485439.db2.gz YVMVICMHUNJTNK-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(-c3ccccc3)on2)n1 ZINC000763210124 1037485636 /nfs/dbraw/zinc/48/56/36/1037485636.db2.gz VRXIRWYQRUSWMU-UHFFFAOYSA-N -1 3 313.382 3.579 20 0 DHADHM CC[C@H](C)c1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001186983652 1037532450 /nfs/dbraw/zinc/53/24/50/1037532450.db2.gz NTFSOPJZUIIMST-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM CC[C@H](C)c1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001186983652 1037532462 /nfs/dbraw/zinc/53/24/62/1037532462.db2.gz NTFSOPJZUIIMST-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001187363836 1037622637 /nfs/dbraw/zinc/62/26/37/1037622637.db2.gz KGVFBPIROKUNCE-UHFFFAOYSA-N -1 3 303.333 3.961 20 0 DHADHM Cc1ccc(Nc2cnn(Cc3ccccn3)c2)c(Cl)c1[O-] ZINC001201423352 1037663582 /nfs/dbraw/zinc/66/35/82/1037663582.db2.gz XYMXSYLFHZCXDC-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1[O-] ZINC001187576944 1037665631 /nfs/dbraw/zinc/66/56/31/1037665631.db2.gz GJQBMXOVBJKSSR-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]1C(F)(F)F ZINC000913020742 1037703162 /nfs/dbraw/zinc/70/31/62/1037703162.db2.gz YBHPRFGTRJYIRO-LBPRGKRZSA-N -1 3 315.316 3.774 20 0 DHADHM C[C@H](Nc1nc2ccccc2s1)c1nc(C(F)(F)F)n[n-]1 ZINC001187733251 1037706869 /nfs/dbraw/zinc/70/68/69/1037706869.db2.gz VKBRMUPMUYKLSZ-LURJTMIESA-N -1 3 313.308 3.606 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c([O-])c1 ZINC001187924758 1037755447 /nfs/dbraw/zinc/75/54/47/1037755447.db2.gz CMQZWZJYRUDUKI-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM CSc1cccc(NC(=O)Nc2ncc([O-])cc2Cl)c1 ZINC001188027030 1037792632 /nfs/dbraw/zinc/79/26/32/1037792632.db2.gz VOGOJRFPRVUOSW-UHFFFAOYSA-N -1 3 309.778 3.807 20 0 DHADHM Cc1cc(C)n(-c2cccc(NCc3cc([O-])cc(F)c3)c2)n1 ZINC000185588946 1037824544 /nfs/dbraw/zinc/82/45/44/1037824544.db2.gz CRKUZLWKGOCWLZ-UHFFFAOYSA-N -1 3 311.360 3.946 20 0 DHADHM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)C1CCC1 ZINC001188145353 1037828687 /nfs/dbraw/zinc/82/86/87/1037828687.db2.gz YCBUCSCUFQLNHB-UHFFFAOYSA-N -1 3 315.410 3.687 20 0 DHADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(OC)cc1[O-] ZINC000124446320 1037898910 /nfs/dbraw/zinc/89/89/10/1037898910.db2.gz QDULHBFQKWIPMJ-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM COc1ccc(NC(=O)Nc2cc(F)ccc2[O-])cc1Cl ZINC001188472369 1037908025 /nfs/dbraw/zinc/90/80/25/1037908025.db2.gz GYUYMITWBAQSGC-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C1CCC1)C(F)(F)F ZINC001188647326 1037944719 /nfs/dbraw/zinc/94/47/19/1037944719.db2.gz PUHZUSRDZOLYID-ZDUSSCGKSA-N -1 3 301.308 3.504 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1[O-] ZINC000570906717 1037944998 /nfs/dbraw/zinc/94/49/98/1037944998.db2.gz DSHKPWJEMPACIQ-XGWLTEMNSA-N -1 3 315.413 3.636 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001188659219 1037948569 /nfs/dbraw/zinc/94/85/69/1037948569.db2.gz ISVAFZDBVKANHP-KRWDZBQOSA-N -1 3 301.361 3.967 20 0 DHADHM COc1ccc2ncc(NC(=O)c3c(C)cccc3[O-])cc2c1 ZINC001188638728 1037956005 /nfs/dbraw/zinc/95/60/05/1037956005.db2.gz PPMULJHRELMPFV-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1 ZINC000916729973 1037958130 /nfs/dbraw/zinc/95/81/30/1037958130.db2.gz OJMGJNIKQBZYFZ-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM COc1nc(NC(=O)c2c(C)cccc2[O-])cc2ccccc21 ZINC001188640667 1037957937 /nfs/dbraw/zinc/95/79/37/1037957937.db2.gz VETKVBDWPQZBDE-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccc(F)cc1F ZINC001202008637 1037960694 /nfs/dbraw/zinc/96/06/94/1037960694.db2.gz JZKFHLBCGSQLBM-UHFFFAOYSA-N -1 3 321.308 3.924 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000188922846 1038009781 /nfs/dbraw/zinc/00/97/81/1038009781.db2.gz BKNWJMJYKXMUPS-UHFFFAOYSA-N -1 3 315.320 3.505 20 0 DHADHM O=C([N-]OC1CCOCC1)C1(C2CCCCC2)CCCCC1 ZINC000775245399 1038144081 /nfs/dbraw/zinc/14/40/81/1038144081.db2.gz FXRKLQHDYGTTQL-UHFFFAOYSA-N -1 3 309.450 3.744 20 0 DHADHM CCc1cccc(C)c1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001189944489 1038237578 /nfs/dbraw/zinc/23/75/78/1038237578.db2.gz CQBMTVPASJGWCW-UHFFFAOYSA-N -1 3 312.373 3.574 20 0 DHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CCC[C@H]1C1CCCCC1 ZINC001190908558 1038407096 /nfs/dbraw/zinc/40/70/96/1038407096.db2.gz AITVPHCBDTZGEN-ZDUSSCGKSA-N -1 3 308.809 3.626 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(=O)[n-]c2Cl)c1 ZINC001190918476 1038409026 /nfs/dbraw/zinc/40/90/26/1038409026.db2.gz ROVNJNSBUJCJBS-LLVKDONJSA-N -1 3 304.777 3.548 20 0 DHADHM COc1ccc(C(C)(C)C)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775432512 1038434799 /nfs/dbraw/zinc/43/47/99/1038434799.db2.gz IMYXWPYQJGCMBT-OAHLLOKOSA-N -1 3 322.405 3.572 20 0 DHADHM COc1ccc(C(C)(C)C)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775432512 1038434808 /nfs/dbraw/zinc/43/48/08/1038434808.db2.gz IMYXWPYQJGCMBT-OAHLLOKOSA-N -1 3 322.405 3.572 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000572733789 1038495010 /nfs/dbraw/zinc/49/50/10/1038495010.db2.gz MJJZORYLDDDFRY-YUMQZZPRSA-N -1 3 307.699 3.963 20 0 DHADHM CC(C)P(CCNC(=O)c1c([O-])ccc(F)c1F)C(C)C ZINC001192784810 1038699483 /nfs/dbraw/zinc/69/94/83/1038699483.db2.gz QDFCOHDJDJQJKD-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cccc(OCC(F)(F)F)c1 ZINC001212167471 1038801473 /nfs/dbraw/zinc/80/14/73/1038801473.db2.gz XYQDWTNVESFAKN-UHFFFAOYSA-N -1 3 302.227 3.611 20 0 DHADHM O=c1cc(CSCC[C@@H]2CCOC2)nc(-c2ccccc2)[n-]1 ZINC000591401027 1038863663 /nfs/dbraw/zinc/86/36/63/1038863663.db2.gz FCXYIERRFHNDPU-ZDUSSCGKSA-N -1 3 316.426 3.509 20 0 DHADHM Cc1oc([C@H](C)N(C)CCOc2cccc(C)c2)cc1C(=O)[O-] ZINC000574331567 1039607281 /nfs/dbraw/zinc/60/72/81/1039607281.db2.gz FUGJNJKVURFJAB-ZDUSSCGKSA-N -1 3 317.385 3.666 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccc(Nc2ccccc2)c1 ZINC000605331454 1039662256 /nfs/dbraw/zinc/66/22/56/1039662256.db2.gz ZLKBWPDKXQVBNI-UHFFFAOYSA-N -1 3 305.337 3.783 20 0 DHADHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)C1 ZINC000606910194 1040033593 /nfs/dbraw/zinc/03/35/93/1040033593.db2.gz WGZSONZUOQKZSY-RKDXNWHRSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1cnc(-c2ccc([O-])cc2C(F)(F)F)nc1NC(C)C ZINC001205067004 1040099964 /nfs/dbraw/zinc/09/99/64/1040099964.db2.gz ZULGANJCUDFCKU-UHFFFAOYSA-N -1 3 311.307 3.997 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c1cccc2Cl ZINC000574965595 1040111915 /nfs/dbraw/zinc/11/19/15/1040111915.db2.gz GOONYUGNDUSKJB-UHFFFAOYSA-N -1 3 308.164 3.902 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1OC(C)C ZINC000607616692 1040207455 /nfs/dbraw/zinc/20/74/55/1040207455.db2.gz KHPULKAJNABMNG-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C2CCCC2)CC1 ZINC000608694194 1040587685 /nfs/dbraw/zinc/58/76/85/1040587685.db2.gz FWUXBQDNQSISAE-UHFFFAOYSA-N -1 3 320.408 3.643 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CCc1ccc(Cl)cc1)CC2 ZINC000082791425 185204058 /nfs/dbraw/zinc/20/40/58/185204058.db2.gz PZEWPFYRTSORCZ-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000005121076 181205647 /nfs/dbraw/zinc/20/56/47/181205647.db2.gz UPYWAQBKJRLSMS-UHFFFAOYSA-N -1 3 319.401 3.814 20 0 DHADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CCC1 ZINC000091683909 193090108 /nfs/dbraw/zinc/09/01/08/193090108.db2.gz JFJUQMBJZCLBQQ-UHFFFAOYSA-N -1 3 311.381 3.596 20 0 DHADHM Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)ccc1F ZINC000417600865 335002953 /nfs/dbraw/zinc/00/29/53/335002953.db2.gz KNIOZAJRKYIUDU-KRWDZBQOSA-N -1 3 301.361 3.830 20 0 DHADHM COc1ccc(F)c(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417599038 335000893 /nfs/dbraw/zinc/00/08/93/335000893.db2.gz GZIHXQBLYFZBAK-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CCSc1cccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417617796 335010053 /nfs/dbraw/zinc/01/00/53/335010053.db2.gz COTXCSBXEQWQKH-LLVKDONJSA-N -1 3 321.364 3.541 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000417620735 335014321 /nfs/dbraw/zinc/01/43/21/335014321.db2.gz JRVXADCGRJMCDR-SNVBAGLBSA-N -1 3 310.444 3.605 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1cc(Cl)cs1)C(=O)[O-] ZINC000417628156 335016697 /nfs/dbraw/zinc/01/66/97/335016697.db2.gz QKEMTBFVBIDFEF-GFCCVEGCSA-N -1 3 319.879 3.644 20 0 DHADHM CCc1ccc(-c2ccc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000417623220 335018071 /nfs/dbraw/zinc/01/80/71/335018071.db2.gz PEVIQBROQNEJPJ-HOTGVXAUSA-N -1 3 311.381 3.628 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(Br)s2)c([O-])c1 ZINC000015922974 182024464 /nfs/dbraw/zinc/02/44/64/182024464.db2.gz CQSQZAKQWHTGMO-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000417631808 335020080 /nfs/dbraw/zinc/02/00/80/335020080.db2.gz YFNVIEKQNLFZPQ-ZDUSSCGKSA-N -1 3 304.415 3.543 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000417650793 335027923 /nfs/dbraw/zinc/02/79/23/335027923.db2.gz NYWIGTRYHQJOPA-PSASIEDQSA-N -1 3 320.191 3.723 20 0 DHADHM Cc1cc(C)c(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000417649196 335030144 /nfs/dbraw/zinc/03/01/44/335030144.db2.gz QXZSFRHMWPELEV-UHFFFAOYSA-N -1 3 319.351 3.878 20 0 DHADHM CC[C@H](CCNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417671057 335039458 /nfs/dbraw/zinc/03/94/58/335039458.db2.gz QAIZLGRBECDXQK-MRVPVSSYSA-N -1 3 308.180 3.723 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C)ccc2[O-])s1 ZINC000106710730 194245897 /nfs/dbraw/zinc/24/58/97/194245897.db2.gz QOFNPLVCCYVWIS-NSHDSACASA-N -1 3 304.415 3.607 20 0 DHADHM CCCc1nc(-c2noc(-c3cc(Cl)c(Cl)[n-]3)n2)co1 ZINC000289194285 535466332 /nfs/dbraw/zinc/46/63/32/535466332.db2.gz SEZZXWRXBSAMED-UHFFFAOYSA-N -1 3 313.144 3.979 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1cc(Cl)sc1Cl ZINC000417697817 335060120 /nfs/dbraw/zinc/06/01/20/335060120.db2.gz FPABZLYEJCHFPV-VIFPVBQESA-N -1 3 308.230 3.788 20 0 DHADHM Cc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)c([O-])c1 ZINC000072001624 184920110 /nfs/dbraw/zinc/92/01/10/184920110.db2.gz FBIHBBAGLOEJDP-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)ccc1[O-] ZINC000272438630 130030328 /nfs/dbraw/zinc/03/03/28/130030328.db2.gz MICPQRFJNJCOFX-KRWDZBQOSA-N -1 3 310.397 3.853 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000272719002 130057556 /nfs/dbraw/zinc/05/75/56/130057556.db2.gz ZOAZLNWNAXUNLY-UHFFFAOYSA-N -1 3 320.723 3.937 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000272719002 130057557 /nfs/dbraw/zinc/05/75/57/130057557.db2.gz ZOAZLNWNAXUNLY-UHFFFAOYSA-N -1 3 320.723 3.937 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000272799569 130064911 /nfs/dbraw/zinc/06/49/11/130064911.db2.gz AKLLUVKHZMPZFK-PBFPGSCMSA-N -1 3 310.397 3.591 20 0 DHADHM CCc1c([N-]C(=O)c2ccc(SC)o2)onc1C(F)(F)F ZINC000274730560 130257697 /nfs/dbraw/zinc/25/76/97/130257697.db2.gz WLWUFWPCZFPYAI-UHFFFAOYSA-N -1 3 320.292 3.823 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000286027082 131216249 /nfs/dbraw/zinc/21/62/49/131216249.db2.gz GEVAREIOOKFSGF-KBAYOESNSA-N -1 3 323.392 3.506 20 0 DHADHM CCCC(C)(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000287019165 131259744 /nfs/dbraw/zinc/25/97/44/131259744.db2.gz QCPHSDAFSKWMPE-UHFFFAOYSA-N -1 3 304.365 3.696 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000340263158 131303310 /nfs/dbraw/zinc/30/33/10/131303310.db2.gz HUQFRBLPIJBAGJ-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM COc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1[O-] ZINC000288593867 131332001 /nfs/dbraw/zinc/33/20/01/131332001.db2.gz LSMPDYZAUUBHAR-HNNXBMFYSA-N -1 3 317.410 3.686 20 0 DHADHM Cn1cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340314415 131381798 /nfs/dbraw/zinc/38/17/98/131381798.db2.gz BJENRKCXESZYNA-UHFFFAOYSA-N -1 3 318.682 3.655 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC2CCC2)cc1 ZINC000340316549 131387203 /nfs/dbraw/zinc/38/72/03/131387203.db2.gz WWKDJJCVYDCIKN-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM Cc1cnc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)s1 ZINC000290073154 131450761 /nfs/dbraw/zinc/45/07/61/131450761.db2.gz BPOGTERNHACVCR-UHFFFAOYSA-N -1 3 321.402 3.726 20 0 DHADHM CC[C@H](C)CON=C([O-])Nc1cc(-c2ccco2)nn1C(C)C ZINC000297113173 132000826 /nfs/dbraw/zinc/00/08/26/132000826.db2.gz MZPZZDUFGNWSPR-LBPRGKRZSA-N -1 3 320.393 3.823 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000297113173 132000827 /nfs/dbraw/zinc/00/08/27/132000827.db2.gz MZPZZDUFGNWSPR-LBPRGKRZSA-N -1 3 320.393 3.823 20 0 DHADHM CCOc1cc(CN2CCC[C@@H]2CSC)cc(Cl)c1[O-] ZINC000340561252 132002779 /nfs/dbraw/zinc/00/27/79/132002779.db2.gz KMFWTGZMCBYVTA-GFCCVEGCSA-N -1 3 315.866 3.772 20 0 DHADHM Cc1ncsc1CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000298611550 132069879 /nfs/dbraw/zinc/06/98/79/132069879.db2.gz ODOZWDPUGZTEKJ-NSHDSACASA-N -1 3 316.426 3.630 20 0 DHADHM Cc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c([O-])c1C ZINC000298794061 132077833 /nfs/dbraw/zinc/07/78/33/132077833.db2.gz NGEKLSPSVOKYCI-UHFFFAOYSA-N -1 3 319.445 3.676 20 0 DHADHM C[C@H]1CCc2nc(CN[C@H](CC(=O)[O-])CC(C)(C)C)sc2C1 ZINC000340679926 132144838 /nfs/dbraw/zinc/14/48/38/132144838.db2.gz WUWHEALBKQECFN-NWDGAFQWSA-N -1 3 324.490 3.637 20 0 DHADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442947377 338440031 /nfs/dbraw/zinc/44/00/31/338440031.db2.gz TZNFAQLFMRKIDS-ZJUUUORDSA-N -1 3 303.280 3.521 20 0 DHADHM Cc1ccc2oc([N-]c3cnn(Cc4ccccn4)c3)nc2c1 ZINC000604035014 430550388 /nfs/dbraw/zinc/55/03/88/430550388.db2.gz QATSJCHCUZCQTP-UHFFFAOYSA-N -1 3 305.341 3.520 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(-c3ccccc3F)n2)no1 ZINC000606886277 435342981 /nfs/dbraw/zinc/34/29/81/435342981.db2.gz ICCSYIJYVXMMLW-UHFFFAOYSA-N -1 3 317.345 3.752 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)C2(C3CC3)CCOCC2)c([O-])c1 ZINC000556921932 331754090 /nfs/dbraw/zinc/75/40/90/331754090.db2.gz KOGFMGMWLZYYQJ-UHFFFAOYSA-N -1 3 317.429 3.835 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC000557191624 331775554 /nfs/dbraw/zinc/77/55/54/331775554.db2.gz RFIZSKUJSIXJIY-UHFFFAOYSA-N -1 3 307.393 3.884 20 0 DHADHM CN(C)Cc1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000517782568 331969576 /nfs/dbraw/zinc/96/95/76/331969576.db2.gz RGYDNESOVGLNJX-UHFFFAOYSA-N -1 3 324.424 3.585 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 ZINC000559248561 332003500 /nfs/dbraw/zinc/00/35/00/332003500.db2.gz FWTWDGDPMHIAKJ-UHFFFAOYSA-N -1 3 313.781 3.729 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000409916700 332063748 /nfs/dbraw/zinc/06/37/48/332063748.db2.gz XKMMJFSDAHIYHQ-SNVBAGLBSA-N -1 3 324.302 3.857 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000426781477 332152798 /nfs/dbraw/zinc/15/27/98/332152798.db2.gz AIDOIEHFURUUNY-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000426783916 332152967 /nfs/dbraw/zinc/15/29/67/332152967.db2.gz LDJXUEPXAXQURT-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000426790853 332153982 /nfs/dbraw/zinc/15/39/82/332153982.db2.gz GCMPIAOPWDHDBZ-CQSZACIVSA-N -1 3 318.442 3.789 20 0 DHADHM Cc1ccc2cc(CN[C@@H](C(=O)[O-])c3cccc(F)c3)ccc2n1 ZINC000426796264 332154748 /nfs/dbraw/zinc/15/47/48/332154748.db2.gz BJIGXZIXEZZUMZ-GOSISDBHSA-N -1 3 324.355 3.598 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](CC(=O)[O-])C(C)C ZINC000426833186 332156532 /nfs/dbraw/zinc/15/65/32/332156532.db2.gz LCKCVYNLQJYVQH-LBPRGKRZSA-N -1 3 320.216 3.591 20 0 DHADHM CCCc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426813326 332157089 /nfs/dbraw/zinc/15/70/89/332157089.db2.gz WFNRRKPFDFSWCR-KRWDZBQOSA-N -1 3 301.361 3.694 20 0 DHADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000426819326 332157714 /nfs/dbraw/zinc/15/77/14/332157714.db2.gz VKEQIRZTXVBYLB-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ccc(NC(C)C)nc2)c1[O-] ZINC000426961903 332162292 /nfs/dbraw/zinc/16/22/92/332162292.db2.gz DXYHTJUEHRUUSG-UHFFFAOYSA-N -1 3 319.792 3.822 20 0 DHADHM CCC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000427151416 332172220 /nfs/dbraw/zinc/17/22/20/332172220.db2.gz CYXFPQGIXYCUII-UHFFFAOYSA-N -1 3 309.822 3.712 20 0 DHADHM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000442954632 338440091 /nfs/dbraw/zinc/44/00/91/338440091.db2.gz SNZFDIHNDYCQJL-MRXNPFEDSA-N -1 3 313.397 3.542 20 0 DHADHM CCC[C@H](C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000531015312 332210830 /nfs/dbraw/zinc/21/08/30/332210830.db2.gz QSXCPULPLFVVPP-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM Cc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)c([O-])c1 ZINC000053368607 332238377 /nfs/dbraw/zinc/23/83/77/332238377.db2.gz HCBLIKBIGBJJHJ-UHFFFAOYSA-N -1 3 308.337 3.537 20 0 DHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(CC2CCCC2)no1 ZINC000560036848 332304777 /nfs/dbraw/zinc/30/47/77/332304777.db2.gz XDXUBLKFMFPVDJ-UHFFFAOYSA-N -1 3 323.755 3.847 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000261790704 332354420 /nfs/dbraw/zinc/35/44/20/332354420.db2.gz XSUCTIUIGCXJLE-LBPRGKRZSA-N -1 3 301.308 3.548 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc3c2OCO3)CC)n1 ZINC000560871209 332391025 /nfs/dbraw/zinc/39/10/25/332391025.db2.gz YVOBCOUJQFLFOR-FMIVXFBMSA-N -1 3 312.369 3.814 20 0 DHADHM Cc1cccc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)c1C ZINC000560957654 332396686 /nfs/dbraw/zinc/39/66/86/332396686.db2.gz VWZVXDSTXWOAER-UHFFFAOYSA-N -1 3 317.816 3.864 20 0 DHADHM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc([O-])c1 ZINC000561703966 332484369 /nfs/dbraw/zinc/48/43/69/332484369.db2.gz TXQQWUQYKDMYJP-JOCQHMNTSA-N -1 3 301.773 3.722 20 0 DHADHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000565044984 332485049 /nfs/dbraw/zinc/48/50/49/332485049.db2.gz VFPQWAWWYVEDOW-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000569832393 332683935 /nfs/dbraw/zinc/68/39/35/332683935.db2.gz XSSKWCZNOWFDNN-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448780674 332692497 /nfs/dbraw/zinc/69/24/97/332692497.db2.gz FMNWKFVRUZFBMX-GFCCVEGCSA-N -1 3 317.360 3.890 20 0 DHADHM COc1cc(C)cc(C(=O)N(C)c2ccc(F)c(Cl)c2)c1[O-] ZINC000182143022 333037079 /nfs/dbraw/zinc/03/70/79/333037079.db2.gz VCCCOQKJKZGCSL-UHFFFAOYSA-N -1 3 323.751 3.778 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCc2cccc(O)c21 ZINC000183609911 333059848 /nfs/dbraw/zinc/05/98/48/333059848.db2.gz RKJFJGNTOFHGMW-UHFFFAOYSA-N -1 3 323.392 3.570 20 0 DHADHM CCc1cc(NC(=O)c2cc(OC)c([O-])c(OC)c2)ccc1C ZINC000183608868 333059982 /nfs/dbraw/zinc/05/99/82/333059982.db2.gz VHVOYTYADNRPHY-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460435046 333086266 /nfs/dbraw/zinc/08/62/66/333086266.db2.gz HUEPSGJSYMGJEW-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SC2CCOCC2)s1 ZINC000128829180 333109976 /nfs/dbraw/zinc/10/99/76/333109976.db2.gz KEHRKZCOKVHVPJ-UHFFFAOYSA-N -1 3 311.407 3.692 20 0 DHADHM Cc1cccc2c(CC(=O)N3CCCc4cccc([O-])c43)c[nH]c21 ZINC000182927052 333181206 /nfs/dbraw/zinc/18/12/06/333181206.db2.gz UABKGLPNNFTVSK-UHFFFAOYSA-N -1 3 320.392 3.704 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@H](C)c1ccc(F)c(F)c1 ZINC000497691814 333278918 /nfs/dbraw/zinc/27/89/18/333278918.db2.gz KDBFHWVLCFMGRK-SECBINFHSA-N -1 3 313.373 3.915 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](c3ccccc3)C(C)C)[n-]2)o1 ZINC000497742545 333285942 /nfs/dbraw/zinc/28/59/42/333285942.db2.gz MLRPDHMWUOZEDZ-OAHLLOKOSA-N -1 3 324.384 3.751 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](c3ccccc3)C(C)C)n2)o1 ZINC000497742545 333285943 /nfs/dbraw/zinc/28/59/43/333285943.db2.gz MLRPDHMWUOZEDZ-OAHLLOKOSA-N -1 3 324.384 3.751 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000497742545 333285945 /nfs/dbraw/zinc/28/59/45/333285945.db2.gz MLRPDHMWUOZEDZ-OAHLLOKOSA-N -1 3 324.384 3.751 20 0 DHADHM CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000497772514 333289363 /nfs/dbraw/zinc/28/93/63/333289363.db2.gz HNAIKLDWXRZIIF-UHFFFAOYSA-N -1 3 321.364 3.707 20 0 DHADHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497808096 333294484 /nfs/dbraw/zinc/29/44/84/333294484.db2.gz FWIKDDPXJHIBNY-TZMCWYRMSA-N -1 3 322.424 3.888 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000497959869 333314631 /nfs/dbraw/zinc/31/46/31/333314631.db2.gz MQZTZXSLMGCVOC-UHFFFAOYSA-N -1 3 317.410 3.585 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2cc3ccccc3o2)c1[O-] ZINC000531198338 333330365 /nfs/dbraw/zinc/33/03/65/333330365.db2.gz RUSZOAFRTOFFCO-UHFFFAOYSA-N -1 3 309.365 3.973 20 0 DHADHM COc1cc(C)sc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531351390 333345600 /nfs/dbraw/zinc/34/56/00/333345600.db2.gz ONPPWOBJZGZMRI-UHFFFAOYSA-N -1 3 311.790 3.985 20 0 DHADHM CC(C)COc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000531372636 333346831 /nfs/dbraw/zinc/34/68/31/333346831.db2.gz QPVUFXYBEOMULT-UHFFFAOYSA-N -1 3 303.333 3.818 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000531372797 333346967 /nfs/dbraw/zinc/34/69/67/333346967.db2.gz IMFWBWVSEOSAPT-QWHCGFSZSA-N -1 3 305.736 3.927 20 0 DHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC000531373200 333347198 /nfs/dbraw/zinc/34/71/98/333347198.db2.gz IHSDGBTVHLVPHF-AWEZNQCLSA-N -1 3 323.751 3.981 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC000531373249 333347221 /nfs/dbraw/zinc/34/72/21/333347221.db2.gz MMDFTAZTHWEPJU-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000343341261 335135639 /nfs/dbraw/zinc/13/56/39/335135639.db2.gz LRSPSWAHTQYJAW-KOLCDFICSA-N -1 3 317.307 3.555 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc2ccccc2s1 ZINC000188922656 333375707 /nfs/dbraw/zinc/37/57/07/333375707.db2.gz VIIQZNQNCPWARZ-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000320762393 335137256 /nfs/dbraw/zinc/13/72/56/335137256.db2.gz SDIYIBMODGUCAO-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1ccsc1[C@H]1C[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580334674 333415940 /nfs/dbraw/zinc/41/59/40/333415940.db2.gz WVXQHLDEVWINGS-QWRGUYRKSA-N -1 3 323.381 3.649 20 0 DHADHM CC(C)C(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525886622 335142020 /nfs/dbraw/zinc/14/20/20/335142020.db2.gz HNQXWMWZQLEXCU-UHFFFAOYSA-N -1 3 300.196 3.775 20 0 DHADHM O=C(COC/C=C\c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000533985965 333555368 /nfs/dbraw/zinc/55/53/68/333555368.db2.gz IBBVMZDNERACOU-DAXSKMNVSA-N -1 3 317.772 3.714 20 0 DHADHM CCc1ccc([O-])c(C(=O)NCc2ncoc2-c2ccccc2)c1 ZINC000531814428 333565276 /nfs/dbraw/zinc/56/52/76/333565276.db2.gz BNQMSDJKXYKUQI-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@@H](C)c1cccnc1 ZINC000186410446 335158082 /nfs/dbraw/zinc/15/80/82/335158082.db2.gz BHODSOTZRNLSLZ-AWEZNQCLSA-N -1 3 324.424 3.889 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1CCC(C)C ZINC000343399031 335162088 /nfs/dbraw/zinc/16/20/88/335162088.db2.gz KKHHETZUKUBBBM-UHFFFAOYSA-N -1 3 321.808 3.849 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(F)c1 ZINC000414404210 333964010 /nfs/dbraw/zinc/96/40/10/333964010.db2.gz HPSCSASSGJLHMT-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000266163378 333971373 /nfs/dbraw/zinc/97/13/73/333971373.db2.gz PRWMUWSBINNDOG-GDBMZVCRSA-N -1 3 310.397 3.639 20 0 DHADHM CCc1cc(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)ccc1[O-] ZINC000436710518 333989718 /nfs/dbraw/zinc/98/97/18/333989718.db2.gz VJBVYXPLKOAZRN-TVQRCGJNSA-N -1 3 303.324 3.661 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2nccs2)cc(Cl)c1[O-] ZINC000414495740 333997250 /nfs/dbraw/zinc/99/72/50/333997250.db2.gz OJGDNNQMYJROJG-VIFPVBQESA-N -1 3 312.822 3.752 20 0 DHADHM CCc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c([O-])c1 ZINC000436806446 334001060 /nfs/dbraw/zinc/00/10/60/334001060.db2.gz FZSFNPDAKZAVHI-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 ZINC000436872760 334013947 /nfs/dbraw/zinc/01/39/47/334013947.db2.gz UYZKCEHGFRZHPV-UONOGXRCSA-N -1 3 314.291 3.992 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCCc3cccc([O-])c32)CCO1 ZINC000272870163 334040536 /nfs/dbraw/zinc/04/05/36/334040536.db2.gz TXNNEZZOVKDOQH-YOEHRIQHSA-N -1 3 317.429 3.513 20 0 DHADHM COc1cccc(C2=CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000414639236 334050065 /nfs/dbraw/zinc/05/00/65/334050065.db2.gz PHXBYCLWHXLKPD-UHFFFAOYSA-N -1 3 323.392 3.683 20 0 DHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)c(OC)cc1Cl ZINC000414685411 334068863 /nfs/dbraw/zinc/06/88/63/334068863.db2.gz SVRORILJKBSQDL-SECBINFHSA-N -1 3 320.216 3.687 20 0 DHADHM CCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1F ZINC000414687755 334069378 /nfs/dbraw/zinc/06/93/78/334069378.db2.gz XMGPCUSHZZVQNV-UHFFFAOYSA-N -1 3 301.361 3.789 20 0 DHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000278514850 334097173 /nfs/dbraw/zinc/09/71/73/334097173.db2.gz QMUXDFNSBXMJEU-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM [O-]c1cccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1Cl ZINC000293156115 334196093 /nfs/dbraw/zinc/19/60/93/334196093.db2.gz FEZAWCDEMQLYQG-YJBOKZPZSA-N -1 3 317.816 3.913 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1cccnc1 ZINC000293599239 334199660 /nfs/dbraw/zinc/19/96/60/334199660.db2.gz AQWIPRVPACIMIX-HNNXBMFYSA-N -1 3 316.788 3.664 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000296082829 334229734 /nfs/dbraw/zinc/22/97/34/334229734.db2.gz LNAOUTPAHXDCHT-DTWKUNHWSA-N -1 3 321.726 3.849 20 0 DHADHM CCC(C)(C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187581151 334265701 /nfs/dbraw/zinc/26/57/01/334265701.db2.gz CKWKUWZWYUUNIG-UHFFFAOYSA-N -1 3 311.381 3.542 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000534589772 334293824 /nfs/dbraw/zinc/29/38/24/334293824.db2.gz MBLREXNDIHPAKL-UHFFFAOYSA-N -1 3 305.324 3.608 20 0 DHADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(Cl)cc(Cl)c1 ZINC000049282580 334324545 /nfs/dbraw/zinc/32/45/45/334324545.db2.gz CBSUXSWPETWUKA-JTQLQIEISA-N -1 3 320.241 3.628 20 0 DHADHM C[C@H](COc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534727254 334332522 /nfs/dbraw/zinc/33/25/22/334332522.db2.gz AXFBFIRRFVMGKS-LLVKDONJSA-N -1 3 305.761 3.699 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1scnc1C1CC1 ZINC000535001066 334353325 /nfs/dbraw/zinc/35/33/25/334353325.db2.gz ZFURKJKZOIJPCW-UHFFFAOYSA-N -1 3 308.790 3.561 20 0 DHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529170263 334354644 /nfs/dbraw/zinc/35/46/44/334354644.db2.gz IATADCKBIFGETH-SNVBAGLBSA-N -1 3 324.218 3.559 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000532033269 334381242 /nfs/dbraw/zinc/38/12/42/334381242.db2.gz YTNKHCMQXOLQJD-HXUWFJFHSA-N -1 3 309.409 3.758 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000340735836 334383867 /nfs/dbraw/zinc/38/38/67/334383867.db2.gz DPQXONKDNVCCCE-NXEZZACHSA-N -1 3 323.179 3.836 20 0 DHADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000340871961 334392014 /nfs/dbraw/zinc/39/20/14/334392014.db2.gz NRMBFRLWIFMCFE-FQEVSTJZSA-N -1 3 309.409 3.976 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCS[C@@H]2CCCC[C@H]21 ZINC000342443305 334541942 /nfs/dbraw/zinc/54/19/42/334541942.db2.gz VDZQEOVFDNAHQT-ZIAGYGMSSA-N -1 3 311.834 3.546 20 0 DHADHM CCc1cc2c(nc(-c3ccc(OC(F)F)cn3)[n-]c2=O)s1 ZINC000342624467 334555494 /nfs/dbraw/zinc/55/54/94/334555494.db2.gz XOJKSZCTRKSBMA-UHFFFAOYSA-N -1 3 323.324 3.623 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2csc(-c3ccccn3)n2)on1 ZINC000342649638 334563217 /nfs/dbraw/zinc/56/32/17/334563217.db2.gz JRCGYGMTQBYFBR-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000472264040 334592640 /nfs/dbraw/zinc/59/26/40/334592640.db2.gz ZORFXPVYUAFCQJ-UWVGGRQHSA-N -1 3 324.833 3.766 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2nc3c(s2)CCC3)c1F ZINC000415355496 334611224 /nfs/dbraw/zinc/61/12/24/334611224.db2.gz PFUKCZQWHMQEPL-UHFFFAOYSA-N -1 3 324.352 3.561 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000112588411 334718080 /nfs/dbraw/zinc/71/80/80/334718080.db2.gz ZSXGAMXLMHDZRV-SFHVURJKSA-N -1 3 313.397 3.870 20 0 DHADHM CCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCOCC1 ZINC000330737971 334811037 /nfs/dbraw/zinc/81/10/37/334811037.db2.gz YNGCIFXDUVGKLD-UHFFFAOYSA-N -1 3 317.307 3.556 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000330798764 334812004 /nfs/dbraw/zinc/81/20/04/334812004.db2.gz GSQKVBQSZLEFCR-NHYWBVRUSA-N -1 3 311.809 3.825 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CC2CCC(C(F)(F)F)CC2)n1 ZINC000330855152 334819182 /nfs/dbraw/zinc/81/91/82/334819182.db2.gz YQHUGVJKWGVTJH-UHFFFAOYSA-N -1 3 316.323 3.793 20 0 DHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1c[n-]nc1-c1ccncc1 ZINC000343897252 335204121 /nfs/dbraw/zinc/20/41/21/335204121.db2.gz AOKGMKLFTNZJSF-UHFFFAOYSA-N -1 3 322.343 3.741 20 0 DHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cn[n-]c1-c1ccncc1 ZINC000343897252 335204123 /nfs/dbraw/zinc/20/41/23/335204123.db2.gz AOKGMKLFTNZJSF-UHFFFAOYSA-N -1 3 322.343 3.741 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)n1 ZINC000344367198 335244879 /nfs/dbraw/zinc/24/48/79/335244879.db2.gz IAEIJZNXJFFHLW-WFASDCNBSA-N -1 3 315.417 3.619 20 0 DHADHM Cn1ccc(C(=O)N2CCCc3cccc([O-])c32)c1C1CCC1 ZINC000344560964 335258575 /nfs/dbraw/zinc/25/85/75/335258575.db2.gz DTKRDJWZIXKRGN-UHFFFAOYSA-N -1 3 310.397 3.591 20 0 DHADHM C[C@@H]1CCCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468614900 335295108 /nfs/dbraw/zinc/29/51/08/335295108.db2.gz HDWVRPILMCGBIH-HIFRSBDPSA-N -1 3 307.409 3.797 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3cccs3)C[C@H]2C)c1[O-] ZINC000371012617 335354285 /nfs/dbraw/zinc/35/42/85/335354285.db2.gz YMVXTVMYKMCSPH-CHWSQXEVSA-N -1 3 301.411 3.780 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000345934926 335362003 /nfs/dbraw/zinc/36/20/03/335362003.db2.gz JBYPVMJXCCIKFG-XYJRDEOASA-N -1 3 312.369 3.554 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000345934925 335362097 /nfs/dbraw/zinc/36/20/97/335362097.db2.gz JBYPVMJXCCIKFG-LPTSXCQYSA-N -1 3 312.369 3.554 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2occc2COc2ccccc2)n1 ZINC000345935025 335362208 /nfs/dbraw/zinc/36/22/08/335362208.db2.gz UHNSULOXAXBWQJ-UHFFFAOYSA-N -1 3 324.336 3.520 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CSCc2cccc(Cl)c2)n1 ZINC000345936864 335362311 /nfs/dbraw/zinc/36/23/11/335362311.db2.gz KUPVZGIJAZYCTK-UHFFFAOYSA-N -1 3 322.817 3.621 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2COC(C)(C)C)n1 ZINC000345939103 335362583 /nfs/dbraw/zinc/36/25/83/335362583.db2.gz YSBDUJPOZKQODL-UHFFFAOYSA-N -1 3 314.385 3.663 20 0 DHADHM Cc1ccc(S[C@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345945162 335363084 /nfs/dbraw/zinc/36/30/84/335363084.db2.gz SBTLYZGOEZAGIC-GFCCVEGCSA-N -1 3 302.399 3.523 20 0 DHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000345956072 335363715 /nfs/dbraw/zinc/36/37/15/335363715.db2.gz NYVLPCSQVQPINR-MRXNPFEDSA-N -1 3 316.376 3.517 20 0 DHADHM Cc1ccccc1C1=CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000345970205 335364965 /nfs/dbraw/zinc/36/49/65/335364965.db2.gz UUTDOWCMHSYNHV-UHFFFAOYSA-N -1 3 313.784 3.893 20 0 DHADHM Cc1ccc2nc(C)c(C(=O)Nc3nc(C)ccc3[O-])cc2c1 ZINC000345992709 335368328 /nfs/dbraw/zinc/36/83/28/335368328.db2.gz RBSRSXUTXCLECS-UHFFFAOYSA-N -1 3 307.353 3.513 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c3cccnc23)n1 ZINC000345999381 335368724 /nfs/dbraw/zinc/36/87/24/335368724.db2.gz VPGJSKYCWYYEAR-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM CN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)c(Cl)c1 ZINC000346065580 335372246 /nfs/dbraw/zinc/37/22/46/335372246.db2.gz MYPOJEMRRQOVSU-UHFFFAOYSA-N -1 3 319.723 3.739 20 0 DHADHM CN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)c(Cl)c1 ZINC000346065580 335372247 /nfs/dbraw/zinc/37/22/47/335372247.db2.gz MYPOJEMRRQOVSU-UHFFFAOYSA-N -1 3 319.723 3.739 20 0 DHADHM CCc1oc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)cc1C ZINC000347160955 335474787 /nfs/dbraw/zinc/47/47/87/335474787.db2.gz IPSBQUQIBPROAR-UHFFFAOYSA-N -1 3 307.296 3.884 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000347264417 335484449 /nfs/dbraw/zinc/48/44/49/335484449.db2.gz JFIXUHYMGPEHJQ-KCJUWKMLSA-N -1 3 321.726 3.849 20 0 DHADHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1[O-] ZINC000113414217 335737160 /nfs/dbraw/zinc/73/71/60/335737160.db2.gz ZVVPTXSRRIXFNR-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM O=c1ccc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)c[nH]1 ZINC000350441142 335753949 /nfs/dbraw/zinc/75/39/49/335753949.db2.gz ULBIDGWMTQFYLK-UHFFFAOYSA-N -1 3 318.745 3.700 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000519253396 335822161 /nfs/dbraw/zinc/82/21/61/335822161.db2.gz PEJBBFWZRSTECE-LBPRGKRZSA-N -1 3 323.380 3.808 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1cccc2cnccc21 ZINC000520710607 336033542 /nfs/dbraw/zinc/03/35/42/336033542.db2.gz IWGVJXHSSBOVIM-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM CCOc1ccc(CN(Cc2nc(C)ccc2[O-])C(C)C)cc1 ZINC000351580502 336047034 /nfs/dbraw/zinc/04/70/34/336047034.db2.gz BZEYAOOBDUJTFY-UHFFFAOYSA-N -1 3 314.429 3.905 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2C)cc1[O-] ZINC000331971013 336154615 /nfs/dbraw/zinc/15/46/15/336154615.db2.gz RSEMWIHLDIFIKZ-SFHVURJKSA-N -1 3 323.392 3.881 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc(OC(F)F)cc2)c1F ZINC000351987421 336186012 /nfs/dbraw/zinc/18/60/12/336186012.db2.gz VDTFURKNZQRSJN-UHFFFAOYSA-N -1 3 315.266 3.562 20 0 DHADHM COc1ccccc1CN(Cc1cc([O-])cc(F)c1)C1CC1 ZINC000352001133 336187663 /nfs/dbraw/zinc/18/76/63/336187663.db2.gz DKIKLNJICLEQFD-UHFFFAOYSA-N -1 3 301.361 3.705 20 0 DHADHM O=c1cc(C=Cc2csc(-c3ccccn3)n2)nc(C2CC2)[n-]1 ZINC000352025696 336190195 /nfs/dbraw/zinc/19/01/95/336190195.db2.gz GKBFJVSEWXLLSW-VOTSOKGWSA-N -1 3 322.393 3.749 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccccc2OC(F)F)c1F ZINC000352071581 336193009 /nfs/dbraw/zinc/19/30/09/336193009.db2.gz KFFXQRBXZUODGM-UHFFFAOYSA-N -1 3 315.266 3.562 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(N3CCCCC3)cn2)c1F ZINC000352181630 336199662 /nfs/dbraw/zinc/19/96/62/336199662.db2.gz GFHNVYZSXXGRNW-UHFFFAOYSA-N -1 3 319.355 3.668 20 0 DHADHM CCO[C@H](CCNCc1c(F)ccc([O-])c1F)C1CCCC1 ZINC000352655160 336229055 /nfs/dbraw/zinc/22/90/55/336229055.db2.gz PMAUVGYCJUXRNC-MRXNPFEDSA-N -1 3 313.388 3.745 20 0 DHADHM CCC(CC)[C@H](CCNCc1c(F)ccc([O-])c1F)OC ZINC000352694116 336230908 /nfs/dbraw/zinc/23/09/08/336230908.db2.gz UFEALIZMUNYBHK-HNNXBMFYSA-N -1 3 301.377 3.601 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1[O-] ZINC000042253119 336238031 /nfs/dbraw/zinc/23/80/31/336238031.db2.gz BCWGQGQKYNFFPZ-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(C(F)(F)F)c(F)c1 ZINC000190350169 336263405 /nfs/dbraw/zinc/26/34/05/336263405.db2.gz PJPTUIKAJPSSGR-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1cccs1 ZINC000104742623 336267011 /nfs/dbraw/zinc/26/70/11/336267011.db2.gz AWAYTCSPMVYXIS-HNNXBMFYSA-N -1 3 307.440 3.568 20 0 DHADHM O=C([O-])C1(NCc2csc(C3CCCCC3)n2)CCCC1 ZINC000532881439 336284592 /nfs/dbraw/zinc/28/45/92/336284592.db2.gz QJAIIURUPWQPTD-UHFFFAOYSA-N -1 3 308.447 3.678 20 0 DHADHM Cc1ccc(-c2noc([N-]Cc3cn4c(cccc4C)n3)n2)cc1 ZINC000302080711 336347591 /nfs/dbraw/zinc/34/75/91/336347591.db2.gz XQXASFFXBTUYPI-UHFFFAOYSA-N -1 3 319.368 3.613 20 0 DHADHM CC(C)(C)c1nc([N-][C@H](c2ccccc2)c2ccccn2)no1 ZINC000302130836 336349923 /nfs/dbraw/zinc/34/99/23/336349923.db2.gz KFSFIUCCJSBDHY-OAHLLOKOSA-N -1 3 308.385 3.964 20 0 DHADHM C[C@H](Nc1nc2nncc-2c(O)[n-]1)c1cc(Cl)ccc1Cl ZINC000302459427 336359184 /nfs/dbraw/zinc/35/91/84/336359184.db2.gz UESBFEAQLSMJRN-LURJTMIESA-N -1 3 324.171 3.538 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1ccncc1F ZINC000352896172 336369750 /nfs/dbraw/zinc/36/97/50/336369750.db2.gz OLDCIDZDXNCAED-SECBINFHSA-N -1 3 314.282 3.796 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)CC)nc2)n1 ZINC000302813333 336370189 /nfs/dbraw/zinc/37/01/89/336370189.db2.gz ZNUDKKAPURRXNS-UHFFFAOYSA-N -1 3 300.406 3.655 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1[O-] ZINC000320900532 336384229 /nfs/dbraw/zinc/38/42/29/336384229.db2.gz VGXNRVOEKOVVDC-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CO[C@H]1CCOc2c(NCc3c(F)ccc([O-])c3F)cccc21 ZINC000353251235 336408227 /nfs/dbraw/zinc/40/82/27/336408227.db2.gz FLEKOZFQUWMPFV-HNNXBMFYSA-N -1 3 321.323 3.753 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1F ZINC000353548883 336424275 /nfs/dbraw/zinc/42/42/75/336424275.db2.gz HYMBZKYWECJAOW-CXAGYDPISA-N -1 3 319.351 3.680 20 0 DHADHM O=C([N-]c1nc(-c2cccnc2)cs1)c1sccc1F ZINC000354106401 336459386 /nfs/dbraw/zinc/45/93/86/336459386.db2.gz JNHMLQFAJBAWHJ-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM CCOc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000354277598 336465355 /nfs/dbraw/zinc/46/53/55/336465355.db2.gz GOYQKKOOMVHQBP-UHFFFAOYSA-N -1 3 323.751 3.513 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(F)c(C)c3)cs2)on1 ZINC000356808464 336561551 /nfs/dbraw/zinc/56/15/51/336561551.db2.gz KCXDFPGBFBBYRJ-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM CN1C(=O)c2ccccc2N[C@H]1c1cc([O-])cc(C(F)(F)F)c1 ZINC000356957363 336567127 /nfs/dbraw/zinc/56/71/27/336567127.db2.gz FMFJLDPLQCIVHM-CQSZACIVSA-N -1 3 322.286 3.607 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000357148574 336575043 /nfs/dbraw/zinc/57/50/43/336575043.db2.gz LLCFZJBOLDQCSE-UHFFFAOYSA-N -1 3 322.430 3.883 20 0 DHADHM CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000357266742 336578752 /nfs/dbraw/zinc/57/87/52/336578752.db2.gz YQWOXQFWZBOYMG-SJKOYZFVSA-N -1 3 323.396 3.786 20 0 DHADHM O=C([N-]c1ccc(C2CCC2)cn1)c1noc(-c2ccccc2)n1 ZINC000360062708 336699769 /nfs/dbraw/zinc/69/97/69/336699769.db2.gz YEOJLVHYIDXXHM-UHFFFAOYSA-N -1 3 320.352 3.651 20 0 DHADHM Cc1cccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000368068351 336837120 /nfs/dbraw/zinc/83/71/20/336837120.db2.gz HTVLEJZZYFZYBF-MRXNPFEDSA-N -1 3 316.788 3.726 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CC(C)(C)C3)c2)n1 ZINC000370580799 336888033 /nfs/dbraw/zinc/88/80/33/336888033.db2.gz XRLREXLURYONQK-UHFFFAOYSA-N -1 3 311.385 3.532 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H]1c1ccccc1F ZINC000371246373 336898259 /nfs/dbraw/zinc/89/82/59/336898259.db2.gz CWRUUULZBYBVPZ-MRXNPFEDSA-N -1 3 319.763 3.701 20 0 DHADHM Cc1cnc([C@@H]2CCCCN2C(=O)c2cccc(C)c2[O-])s1 ZINC000373164128 336950242 /nfs/dbraw/zinc/95/02/42/336950242.db2.gz ADRBVYVSZAJHPX-AWEZNQCLSA-N -1 3 316.426 3.833 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3)CC2)cc1F ZINC000582432381 336975185 /nfs/dbraw/zinc/97/51/85/336975185.db2.gz WQLADZSTSLHDJF-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000375077946 337002700 /nfs/dbraw/zinc/00/27/00/337002700.db2.gz GFOXRHBVEYZXGI-GXFFZTMASA-N -1 3 320.414 3.618 20 0 DHADHM O=C(NC1CC(c2ccccc2)C1)c1cc([O-])ccc1Cl ZINC000375426917 337011131 /nfs/dbraw/zinc/01/11/31/337011131.db2.gz RIWCXOCONCKXON-UHFFFAOYSA-N -1 3 301.773 3.722 20 0 DHADHM CSc1ccc(C(=O)N2CCC=C(c3ccco3)C2)c([O-])c1 ZINC000376038357 337025755 /nfs/dbraw/zinc/02/57/55/337025755.db2.gz VTBKXORRTCAQOG-UHFFFAOYSA-N -1 3 315.394 3.637 20 0 DHADHM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC000392128927 337082055 /nfs/dbraw/zinc/08/20/55/337082055.db2.gz HJAAUFFWMRFMBA-LJQANCHMSA-N -1 3 321.376 3.764 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)ccc1F ZINC000582510472 337099659 /nfs/dbraw/zinc/09/96/59/337099659.db2.gz VPUAVPCCPIXPBK-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000394404019 337115719 /nfs/dbraw/zinc/11/57/19/337115719.db2.gz KOZVIHVVDUTZJG-SNVBAGLBSA-N -1 3 307.337 3.609 20 0 DHADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000582671881 337119290 /nfs/dbraw/zinc/11/92/90/337119290.db2.gz XIUHJFNJOKVJQI-LJQANCHMSA-N -1 3 320.392 3.660 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc3c(s2)CCCC3)on1 ZINC000172706730 337130417 /nfs/dbraw/zinc/13/04/17/337130417.db2.gz ARIYCYDIYCRITO-SECBINFHSA-N -1 3 305.403 3.776 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(F)ccc2[O-])nn1C(C)(C)C ZINC000174869573 337145079 /nfs/dbraw/zinc/14/50/79/337145079.db2.gz XNFIZGJZSFKYBZ-UHFFFAOYSA-N -1 3 319.380 3.859 20 0 DHADHM CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000582790738 337167341 /nfs/dbraw/zinc/16/73/41/337167341.db2.gz CKHJHBTZWVTNRO-LBPRGKRZSA-N -1 3 317.385 3.878 20 0 DHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)cccc3[O-])cc2)n1 ZINC000179544227 337170180 /nfs/dbraw/zinc/17/01/80/337170180.db2.gz YQTJOZSTASFPEE-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000179554496 337170262 /nfs/dbraw/zinc/17/02/62/337170262.db2.gz DHITZHLVCCAWSA-UHFFFAOYSA-N -1 3 311.341 3.613 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cccn1Cc1cccs1 ZINC000180859130 337178106 /nfs/dbraw/zinc/17/81/06/337178106.db2.gz VQWNNXPGXCFFBD-UHFFFAOYSA-N -1 3 316.357 3.695 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cccc([O-])c2)[C@H]1c1ccccc1 ZINC000182469431 337186399 /nfs/dbraw/zinc/18/63/99/337186399.db2.gz NGTKSWWEHCTLOR-CXAGYDPISA-N -1 3 313.422 3.711 20 0 DHADHM Cc1c(NC(=O)c2cccc([O-])c2)cnn1-c1cc(C)ccc1C ZINC000182856782 337190477 /nfs/dbraw/zinc/19/04/77/337190477.db2.gz JLMXAIIBOKWMCC-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C(c1nc2ccccc2s1)N1CCCc2cccc([O-])c21 ZINC000182915641 337190844 /nfs/dbraw/zinc/19/08/44/337190844.db2.gz XHLDVUIQPFIAQU-UHFFFAOYSA-N -1 3 310.378 3.595 20 0 DHADHM CC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000183460219 337191950 /nfs/dbraw/zinc/19/19/50/337191950.db2.gz ZSVQUXDSIOZELT-ONGXEEELSA-N -1 3 317.307 3.555 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2oc3ccccc3c2C)n1 ZINC000183555379 337192171 /nfs/dbraw/zinc/19/21/71/337192171.db2.gz NEFSYVDNDBHSSB-GFCCVEGCSA-N -1 3 311.385 3.650 20 0 DHADHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1cccc([O-])c1 ZINC000183992042 337194274 /nfs/dbraw/zinc/19/42/74/337194274.db2.gz UMFDWJPJVNAXBA-UHFFFAOYSA-N -1 3 317.193 3.673 20 0 DHADHM Cc1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)c([O-])c1 ZINC000321080148 337194685 /nfs/dbraw/zinc/19/46/85/337194685.db2.gz LRLFTHAXRNJCCB-ZDUSSCGKSA-N -1 3 308.337 3.665 20 0 DHADHM O=[S@@](Cc1csc(C2CCCC2)n1)c1cccc([O-])c1 ZINC000184068086 337195961 /nfs/dbraw/zinc/19/59/61/337195961.db2.gz WCELBPITVFOAFL-FQEVSTJZSA-N -1 3 307.440 3.814 20 0 DHADHM COc1cccc(F)c1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000184524619 337198239 /nfs/dbraw/zinc/19/82/39/337198239.db2.gz ROWQBEPFCCNKKP-UHFFFAOYSA-N -1 3 312.300 3.742 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000321114736 337199180 /nfs/dbraw/zinc/19/91/80/337199180.db2.gz PEESTLGUYZTOGJ-GFCCVEGCSA-N -1 3 315.369 3.830 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000583754441 337329927 /nfs/dbraw/zinc/32/99/27/337329927.db2.gz KCQVDJQGKDNRJZ-RULNRJAQSA-N -1 3 315.335 3.966 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000120912429 337396103 /nfs/dbraw/zinc/39/61/03/337396103.db2.gz IBNXNLKSJVHWJK-QGZVFWFLSA-N -1 3 310.397 3.853 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NCc1cccc(Cl)c1 ZINC000136069422 337453640 /nfs/dbraw/zinc/45/36/40/337453640.db2.gz WYRQQHZPLGYYQF-UHFFFAOYSA-N -1 3 310.180 3.558 20 0 DHADHM CCOc1cc(-c2noc(C(C)(C)CC(F)F)n2)ccc1[O-] ZINC000420490124 337502979 /nfs/dbraw/zinc/50/29/79/337502979.db2.gz AVMNXEYCFLPDTI-UHFFFAOYSA-N -1 3 312.316 3.774 20 0 DHADHM CCOc1cc(-c2noc([C@@H](CC(C)C)OC)n2)ccc1[O-] ZINC000420497106 337503887 /nfs/dbraw/zinc/50/38/87/337503887.db2.gz ZDUDMEVZTUPFTJ-CQSZACIVSA-N -1 3 306.362 3.575 20 0 DHADHM O=C([O-])CCC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000572007670 337586196 /nfs/dbraw/zinc/58/61/96/337586196.db2.gz KYLMXZYUBUWCEH-INIZCTEOSA-N -1 3 307.821 3.904 20 0 DHADHM CC[C@H](NCc1ncccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000572079575 337589467 /nfs/dbraw/zinc/58/94/67/337589467.db2.gz HAFLFDLOEWNEOQ-QMMMGPOBSA-N -1 3 317.336 3.503 20 0 DHADHM CCC(CC)(CNCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000263038323 337623387 /nfs/dbraw/zinc/62/33/87/337623387.db2.gz IFXMJJSEDFZALS-UHFFFAOYSA-N -1 3 318.442 3.791 20 0 DHADHM O=C([O-])C1CN(Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000263483541 337630269 /nfs/dbraw/zinc/63/02/69/337630269.db2.gz GTPONNFXWVPBED-UHFFFAOYSA-N -1 3 307.802 3.585 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1O ZINC000445425297 337726463 /nfs/dbraw/zinc/72/64/63/337726463.db2.gz BWSZNSMAOMQCDD-UHFFFAOYSA-N -1 3 312.325 3.522 20 0 DHADHM CCOc1cc(-c2noc(/C=C\c3ccc(C)cn3)n2)ccc1[O-] ZINC000445430178 337730516 /nfs/dbraw/zinc/73/05/16/337730516.db2.gz IBRVRIMEBDSSCY-CLFYSBASSA-N -1 3 323.352 3.715 20 0 DHADHM CCCCN(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000527856043 337769507 /nfs/dbraw/zinc/76/95/07/337769507.db2.gz YALWVZHBFMMPCS-UHFFFAOYSA-N -1 3 312.207 3.559 20 0 DHADHM C[C@@H]1CC[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)O1 ZINC000528238193 337797724 /nfs/dbraw/zinc/79/77/24/337797724.db2.gz NPTSNVDJAIUMEG-QMTHXVAHSA-N -1 3 300.358 3.561 20 0 DHADHM C[C@H]1CC[C@@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)O1 ZINC000528238189 337797764 /nfs/dbraw/zinc/79/77/64/337797764.db2.gz NPTSNVDJAIUMEG-HZMBPMFUSA-N -1 3 300.358 3.561 20 0 DHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159355 337832029 /nfs/dbraw/zinc/83/20/29/337832029.db2.gz WLSXQQLSAYRGLU-CQSZACIVSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533159244 337832106 /nfs/dbraw/zinc/83/21/06/337832106.db2.gz PZYJSUJQJSCCRU-LLVKDONJSA-N -1 3 305.761 3.760 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)o1 ZINC000536893729 337845205 /nfs/dbraw/zinc/84/52/05/337845205.db2.gz PRNGNTCUFNLKBU-INIZCTEOSA-N -1 3 307.415 3.572 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000119484465 337861069 /nfs/dbraw/zinc/86/10/69/337861069.db2.gz TYSGHBYNIKGQSW-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM CSc1ccc(C)c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000514827751 337971402 /nfs/dbraw/zinc/97/14/02/337971402.db2.gz BMFCKAFOLZEYGB-UHFFFAOYSA-N -1 3 315.394 3.877 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000424763433 337984367 /nfs/dbraw/zinc/98/43/67/337984367.db2.gz ZZDCDWPMUZYDNR-SCZZXKLOSA-N -1 3 316.170 3.622 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CCCC2)c1Cl ZINC000516378605 338012222 /nfs/dbraw/zinc/01/22/22/338012222.db2.gz KVRGYGZGWPWDQW-UHFFFAOYSA-N -1 3 322.257 3.913 20 0 DHADHM COC[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(C)ccc1[O-] ZINC000426499754 338033783 /nfs/dbraw/zinc/03/37/83/338033783.db2.gz YPQVIAMJCHTZPT-MRXNPFEDSA-N -1 3 320.820 3.569 20 0 DHADHM CC[C@@H](CNCc1cc(Cl)cc(Cl)c1OC)CC(=O)[O-] ZINC000426629993 338036518 /nfs/dbraw/zinc/03/65/18/338036518.db2.gz GRRXGICIQQJKKX-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM O=C([O-])C[C@@H](CNCc1ccc(F)cc1Cl)c1ccccc1 ZINC000426629568 338036569 /nfs/dbraw/zinc/03/65/69/338036569.db2.gz RGCXSXLYZYGSTR-AWEZNQCLSA-N -1 3 321.779 3.827 20 0 DHADHM O=C([O-])[C@@H](CCNCc1ccccc1Cl)Cc1ccccc1 ZINC000426629820 338036599 /nfs/dbraw/zinc/03/65/99/338036599.db2.gz SCSHFOOTTGRSNR-HNNXBMFYSA-N -1 3 317.816 3.763 20 0 DHADHM CC(C)(CCCNCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000426646500 338036854 /nfs/dbraw/zinc/03/68/54/338036854.db2.gz JOWWNCDNHLXPAL-UHFFFAOYSA-N -1 3 319.323 3.566 20 0 DHADHM CC(C)(CCCNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000426646015 338036930 /nfs/dbraw/zinc/03/69/30/338036930.db2.gz JWJYQZOMRAHHRS-UHFFFAOYSA-N -1 3 304.217 3.974 20 0 DHADHM O=C([O-])[C@H](CCNCc1ccsc1Cl)Cc1ccccc1 ZINC000426667861 338037548 /nfs/dbraw/zinc/03/75/48/338037548.db2.gz AOBXYGPHQDYVCU-CYBMUJFWSA-N -1 3 323.845 3.825 20 0 DHADHM O=C([O-])CC1(CNCc2c(Cl)cccc2Cl)CCC1 ZINC000426671027 338037742 /nfs/dbraw/zinc/03/77/42/338037742.db2.gz UISFYBSVOBRJLI-UHFFFAOYSA-N -1 3 302.201 3.728 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1ccc2ccccc2c1 ZINC000426693023 338038359 /nfs/dbraw/zinc/03/83/59/338038359.db2.gz XJZLFSDJGYOWNK-UHFFFAOYSA-N -1 3 305.377 3.757 20 0 DHADHM O=C([O-])C[C@@H](NCc1cccc2cccnc21)c1ccsc1 ZINC000426695179 338038372 /nfs/dbraw/zinc/03/83/72/338038372.db2.gz MEIRCGPENIOSEA-OAHLLOKOSA-N -1 3 312.394 3.602 20 0 DHADHM Cc1ccc([C@@H](NCc2cc3ccc(F)cc3[nH]2)C(=O)[O-])cc1 ZINC000426701834 338038513 /nfs/dbraw/zinc/03/85/13/338038513.db2.gz AYHSOZQWCLQIIP-QGZVFWFLSA-N -1 3 312.344 3.531 20 0 DHADHM Cc1oc2ccccc2c1CNCc1ccccc1CC(=O)[O-] ZINC000426708944 338038715 /nfs/dbraw/zinc/03/87/15/338038715.db2.gz OSZXBCJQDRGDRC-UHFFFAOYSA-N -1 3 309.365 3.658 20 0 DHADHM COc1ccc2cc(CNCc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000426711851 338038932 /nfs/dbraw/zinc/03/89/32/338038932.db2.gz SFCBIVRJKBHLNR-UHFFFAOYSA-N -1 3 321.376 3.836 20 0 DHADHM CCC[C@@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426715351 338038978 /nfs/dbraw/zinc/03/89/78/338038978.db2.gz QWYAAWORSCIBTB-QGZVFWFLSA-N -1 3 301.361 3.836 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000426727269 338039464 /nfs/dbraw/zinc/03/94/64/338039464.db2.gz NZVFWTGTCFURSU-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM CSc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426744079 338040352 /nfs/dbraw/zinc/04/03/52/338040352.db2.gz CAVUTPKBAFEOPD-KRWDZBQOSA-N -1 3 315.438 3.941 20 0 DHADHM Cc1cc(C)cc([C@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])c1 ZINC000426749772 338040647 /nfs/dbraw/zinc/04/06/47/338040647.db2.gz IKZHOIDBTBDQGI-WHLIDYPQSA-N -1 3 313.372 3.871 20 0 DHADHM C[C@@H]1CC[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000429566162 338084347 /nfs/dbraw/zinc/08/43/47/338084347.db2.gz URSBKUBYGXSRLO-VXGBXAGGSA-N -1 3 311.385 3.702 20 0 DHADHM C[C@H]1CC[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000429566161 338084355 /nfs/dbraw/zinc/08/43/55/338084355.db2.gz URSBKUBYGXSRLO-RYUDHWBXSA-N -1 3 311.385 3.702 20 0 DHADHM Cc1cc([O-])c2nc(/C=C/c3cnn(CC(F)F)c3)ccc2c1 ZINC000431158820 338124462 /nfs/dbraw/zinc/12/44/62/338124462.db2.gz DUYCVDIFTMACSR-DUXPYHPUSA-N -1 3 315.323 3.881 20 0 DHADHM COc1cc(C(=O)N(C)C2CCC(C(C)C)CC2)ccc1[O-] ZINC000432551207 338158803 /nfs/dbraw/zinc/15/88/03/338158803.db2.gz BYUOLYSSZQBBPX-UHFFFAOYSA-N -1 3 305.418 3.688 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433119068 338182347 /nfs/dbraw/zinc/18/23/47/338182347.db2.gz DXDOXYODHLXVPL-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1cccc(N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000433358913 338193662 /nfs/dbraw/zinc/19/36/62/338193662.db2.gz FOIFDDIXBAWKCE-UHFFFAOYSA-N -1 3 324.355 3.561 20 0 DHADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000433372613 338193963 /nfs/dbraw/zinc/19/39/63/338193963.db2.gz PDGNCHVRRSICLK-JTQLQIEISA-N -1 3 305.761 3.584 20 0 DHADHM CC(C)C1CCC(N(C)C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000433401644 338194704 /nfs/dbraw/zinc/19/47/04/338194704.db2.gz TWMLGQMRDICFDB-UHFFFAOYSA-N -1 3 322.424 3.888 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000433530000 338196416 /nfs/dbraw/zinc/19/64/16/338196416.db2.gz WNWIEAUAPGYPKN-UHFFFAOYSA-N -1 3 319.426 3.837 20 0 DHADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433614164 338198282 /nfs/dbraw/zinc/19/82/82/338198282.db2.gz BZDVGJPZVBDWHO-MRVPVSSYSA-N -1 3 303.836 3.632 20 0 DHADHM CCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000434336450 338214722 /nfs/dbraw/zinc/21/47/22/338214722.db2.gz YGILASXNJYAQLM-UHFFFAOYSA-N -1 3 323.352 3.823 20 0 DHADHM CCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000434336450 338214723 /nfs/dbraw/zinc/21/47/23/338214723.db2.gz YGILASXNJYAQLM-UHFFFAOYSA-N -1 3 323.352 3.823 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C)c(OC)c2)CC)n1 ZINC000435339275 338237454 /nfs/dbraw/zinc/23/74/54/338237454.db2.gz RCHVQBWXDGEQNO-GDNBJRDFSA-N -1 3 312.413 3.990 20 0 DHADHM COC[C@H](C)n1c2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC000435717863 338246165 /nfs/dbraw/zinc/24/61/65/338246165.db2.gz SOOVRFFHYAFDAG-NSHDSACASA-N -1 3 300.333 3.755 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(Cc3cc(F)cc(F)c3)no2)c1 ZINC000435952967 338253980 /nfs/dbraw/zinc/25/39/80/338253980.db2.gz MPAAFVQTSUCPAG-SNAWJCMRSA-N -1 3 314.291 3.815 20 0 DHADHM [O-]c1cccc(/C=C/c2nc([C@@H]3CCOc4ccccc43)no2)c1 ZINC000435956062 338254268 /nfs/dbraw/zinc/25/42/68/338254268.db2.gz RVEHWDNHZDFJIZ-ROJDOSBLSA-N -1 3 320.348 3.860 20 0 DHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cc2ccccc2s1 ZINC000436486844 338273847 /nfs/dbraw/zinc/27/38/47/338273847.db2.gz KBUSCNLUFDPPIP-JTQLQIEISA-N -1 3 313.378 3.804 20 0 DHADHM CSc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436497328 338274391 /nfs/dbraw/zinc/27/43/91/338274391.db2.gz SJHLPJDSMFTNBS-GFCCVEGCSA-N -1 3 301.411 3.914 20 0 DHADHM Cc1nc2c(cccc2-c2noc(-c3cccc(C)c3[O-])n2)[nH]1 ZINC000436520304 338274763 /nfs/dbraw/zinc/27/47/63/338274763.db2.gz FGKNMWKHZZXPBU-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc4ncccc43)no2)c1 ZINC000436523135 338274921 /nfs/dbraw/zinc/27/49/21/338274921.db2.gz PUXKEPGAFPJINM-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1cccc(C(=O)Nc2cnccc2OC(C)(C)C)c1[O-] ZINC000436522480 338274982 /nfs/dbraw/zinc/27/49/82/338274982.db2.gz VEVYCTRXMPNZHF-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nccs1 ZINC000436533866 338275788 /nfs/dbraw/zinc/27/57/88/338275788.db2.gz HHPANVXJSNNTIR-CYBMUJFWSA-N -1 3 304.415 3.853 20 0 DHADHM Cc1ccc([O-])c(-c2nc(CCn3ccc4ccccc43)no2)c1 ZINC000436535841 338275941 /nfs/dbraw/zinc/27/59/41/338275941.db2.gz UBAVSICRQPZXQI-UHFFFAOYSA-N -1 3 319.364 3.948 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H](c2ccccc2)C1 ZINC000436540596 338276112 /nfs/dbraw/zinc/27/61/12/338276112.db2.gz PUICVDILLMTNSO-GOSISDBHSA-N -1 3 321.420 3.901 20 0 DHADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1ccccc1[O-] ZINC000436548972 338276520 /nfs/dbraw/zinc/27/65/20/338276520.db2.gz OKICWJYTBZEGGZ-UHFFFAOYSA-N -1 3 318.785 3.585 20 0 DHADHM CCOc1cc(C)ccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000436552886 338276962 /nfs/dbraw/zinc/27/69/62/338276962.db2.gz AYGKVQAPUWBNBI-UHFFFAOYSA-N -1 3 315.369 3.669 20 0 DHADHM CCC(CC)N(CCOC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436559489 338277023 /nfs/dbraw/zinc/27/70/23/338277023.db2.gz WPYLXIIOCVSVBA-UHFFFAOYSA-N -1 3 307.434 3.793 20 0 DHADHM CC(C)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCCC1 ZINC000436565647 338277363 /nfs/dbraw/zinc/27/73/63/338277363.db2.gz UCQFVLPNGDHVPT-UHFFFAOYSA-N -1 3 317.429 3.899 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H](CC)c2nc(C)cs2)c1 ZINC000436568897 338277415 /nfs/dbraw/zinc/27/74/15/338277415.db2.gz XEQLOZALNSNGOX-ZDUSSCGKSA-N -1 3 304.415 3.601 20 0 DHADHM CC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nc(C)cs1 ZINC000436568140 338277503 /nfs/dbraw/zinc/27/75/03/338277503.db2.gz QVCWSBHHUOTVOA-ZDUSSCGKSA-N -1 3 304.415 3.655 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(OCC3CC3)CC2)c([O-])c1 ZINC000436575134 338277763 /nfs/dbraw/zinc/27/77/63/338277763.db2.gz NOOWVBAIWLFXKJ-UHFFFAOYSA-N -1 3 317.429 3.547 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC12CCC2 ZINC000436574396 338277888 /nfs/dbraw/zinc/27/78/88/338277888.db2.gz LADPKGBJAZTAIB-UHFFFAOYSA-N -1 3 307.393 3.752 20 0 DHADHM CC1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436575936 338278077 /nfs/dbraw/zinc/27/80/77/338278077.db2.gz PMKPWSNBEFIOFA-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCS[C@H](C(C)C)C2)c([O-])c1 ZINC000436576961 338278083 /nfs/dbraw/zinc/27/80/83/338278083.db2.gz SGEBCVRPQKTLJB-INIZCTEOSA-N -1 3 307.459 3.729 20 0 DHADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436587949 338278490 /nfs/dbraw/zinc/27/84/90/338278490.db2.gz YHFJTFHBZUOMPM-GASCZTMLSA-N -1 3 309.409 3.996 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c([O-])c1 ZINC000436587153 338278513 /nfs/dbraw/zinc/27/85/13/338278513.db2.gz VWIPVHBUFVCEIZ-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c2cccc3Cl)c([O-])c1C ZINC000436587604 338278519 /nfs/dbraw/zinc/27/85/19/338278519.db2.gz PQGYORFYVXRXLW-UHFFFAOYSA-N -1 3 301.773 3.865 20 0 DHADHM CCC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436586860 338278525 /nfs/dbraw/zinc/27/85/25/338278525.db2.gz NOIISCXTFHLMPQ-ZDUSSCGKSA-N -1 3 317.429 3.758 20 0 DHADHM CCOc1cc(Cl)ccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436588012 338278536 /nfs/dbraw/zinc/27/85/36/338278536.db2.gz RAEZVKPJQIHGHO-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM Cc1cccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000436588006 338278655 /nfs/dbraw/zinc/27/86/55/338278655.db2.gz QYDSBOMDSXHTGP-NWDGAFQWSA-N -1 3 315.335 3.799 20 0 DHADHM COc1ccc(N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1Cl ZINC000436590597 338278746 /nfs/dbraw/zinc/27/87/46/338278746.db2.gz SUNMUDNZSFLBCU-UHFFFAOYSA-N -1 3 319.788 3.948 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1[O-] ZINC000436598606 338279218 /nfs/dbraw/zinc/27/92/18/338279218.db2.gz BCJZRHGGSVIEFD-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436604967 338279605 /nfs/dbraw/zinc/27/96/05/338279605.db2.gz OUZQKEXMGXOGFI-CYBMUJFWSA-N -1 3 309.356 3.579 20 0 DHADHM C[C@H]1[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1(F)F ZINC000436609070 338279840 /nfs/dbraw/zinc/27/98/40/338279840.db2.gz HWKXKMKDGBQHLG-ISVAXAHUSA-N -1 3 302.280 3.964 20 0 DHADHM Cc1cnccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613863 338280025 /nfs/dbraw/zinc/28/00/25/338280025.db2.gz STDQSKIMHYBUPK-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM COC[C@@H](C)[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436621846 338280320 /nfs/dbraw/zinc/28/03/20/338280320.db2.gz YIRRWUWEZBCIRK-VXGBXAGGSA-N -1 3 312.369 3.981 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436631347 338280686 /nfs/dbraw/zinc/28/06/86/338280686.db2.gz RVDKLLGYCIJJJE-INIZCTEOSA-N -1 3 311.381 3.517 20 0 DHADHM COc1c(C)cc(CN(C)C(=O)c2ccc(C)cc2[O-])cc1C ZINC000436635380 338280812 /nfs/dbraw/zinc/28/08/12/338280812.db2.gz PNTUQUFXUOOVIB-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436636130 338280855 /nfs/dbraw/zinc/28/08/55/338280855.db2.gz TWKLEWAKEJGDOC-AWEZNQCLSA-N -1 3 313.397 3.842 20 0 DHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1c([O-])cccc1O ZINC000436646576 338281271 /nfs/dbraw/zinc/28/12/71/338281271.db2.gz IFXRJDULQVDRMY-UHFFFAOYSA-N -1 3 307.349 3.523 20 0 DHADHM CC[C@@H](C)Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436649581 338281465 /nfs/dbraw/zinc/28/14/65/338281465.db2.gz VMQHPBAHOMTNNO-LLVKDONJSA-N -1 3 301.342 3.527 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c([O-])c1 ZINC000436656945 338281804 /nfs/dbraw/zinc/28/18/04/338281804.db2.gz SHAGYHOIASOEJZ-SFHVURJKSA-N -1 3 307.349 3.813 20 0 DHADHM Cc1cccc(C(=O)NCCc2ccccc2C(F)(F)F)c1[O-] ZINC000436673574 338282272 /nfs/dbraw/zinc/28/22/72/338282272.db2.gz PIDBKSADPHGUKD-UHFFFAOYSA-N -1 3 323.314 3.692 20 0 DHADHM COc1cc(-c2nc([C@H](C)C(C)(C)C)no2)cc(OC)c1[O-] ZINC000436686993 338282821 /nfs/dbraw/zinc/28/28/21/338282821.db2.gz GWFNJIDQIJXRFQ-VIFPVBQESA-N -1 3 306.362 3.609 20 0 DHADHM Cc1cccc(-c2nc(-c3cccnc3OC(C)C)no2)c1[O-] ZINC000436691129 338283040 /nfs/dbraw/zinc/28/30/40/338283040.db2.gz XGVCWWHEQBLSHX-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM Cc1cccc(C(=O)NCc2cccc(-c3cccnc3)c2)c1[O-] ZINC000436694406 338283247 /nfs/dbraw/zinc/28/32/47/338283247.db2.gz CEQQYKUADZKRSL-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM O=C(NC1CCC(F)(F)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436699650 338283333 /nfs/dbraw/zinc/28/33/33/338283333.db2.gz VZTQSRIIVNYBQU-UHFFFAOYSA-N -1 3 309.356 3.579 20 0 DHADHM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1[O-] ZINC000436718799 338284045 /nfs/dbraw/zinc/28/40/45/338284045.db2.gz MVXKWUCKJFMWNZ-ZDUSSCGKSA-N -1 3 313.250 3.565 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436741385 338284940 /nfs/dbraw/zinc/28/49/40/338284940.db2.gz SYNSTTPCYIHDFN-INIZCTEOSA-N -1 3 313.397 3.933 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cncs2)c([O-])c1 ZINC000436740197 338284970 /nfs/dbraw/zinc/28/49/70/338284970.db2.gz RGJHWYMUCNWHFA-NSHDSACASA-N -1 3 320.414 3.519 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCC[C@H]1C ZINC000436743983 338285139 /nfs/dbraw/zinc/28/51/39/338285139.db2.gz IMDFCCGPOWTREC-PBHICJAKSA-N -1 3 319.445 3.793 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCC[C@H]1C ZINC000436743984 338285194 /nfs/dbraw/zinc/28/51/94/338285194.db2.gz IMDFCCGPOWTREC-RHSMWYFYSA-N -1 3 319.445 3.793 20 0 DHADHM COc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1Cl ZINC000436754283 338285591 /nfs/dbraw/zinc/28/55/91/338285591.db2.gz YASHFFRSHUAAPY-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM O=C(NCc1ccccn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755628 338285717 /nfs/dbraw/zinc/28/57/17/338285717.db2.gz NMZFIOQZDYUDBA-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([O-])c1C ZINC000436758963 338286006 /nfs/dbraw/zinc/28/60/06/338286006.db2.gz PJAOOFZDLOMJTE-ZDUSSCGKSA-N -1 3 301.361 3.981 20 0 DHADHM CCCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436758071 338286063 /nfs/dbraw/zinc/28/60/63/338286063.db2.gz KYVGHKSJSJMVQY-UHFFFAOYSA-N -1 3 313.397 3.843 20 0 DHADHM CCO[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)C1=CCCC1 ZINC000436762728 338286268 /nfs/dbraw/zinc/28/62/68/338286268.db2.gz UFAMLZPTYJRDKJ-HNNXBMFYSA-N -1 3 300.358 3.500 20 0 DHADHM CC(=O)Nc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767650 338286507 /nfs/dbraw/zinc/28/65/07/338286507.db2.gz GRHYPDYQLGWVCO-NYYWCZLTSA-N -1 3 321.336 3.571 20 0 DHADHM CCC(CC)N(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436771388 338286773 /nfs/dbraw/zinc/28/67/73/338286773.db2.gz UWLINBNFWZTOIQ-UHFFFAOYSA-N -1 3 305.418 3.756 20 0 DHADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436776350 338286976 /nfs/dbraw/zinc/28/69/76/338286976.db2.gz ULGLCFCZBNGUNL-JSGCOSHPSA-N -1 3 319.307 3.568 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)c([O-])c1 ZINC000436793850 338287614 /nfs/dbraw/zinc/28/76/14/338287614.db2.gz UCJYAULITIGCIM-INIZCTEOSA-N -1 3 317.429 3.547 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1[O-] ZINC000436792709 338287629 /nfs/dbraw/zinc/28/76/29/338287629.db2.gz PHBFABZEHBEAPC-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM Cc1cccc(C(=O)Nc2nc(CC(F)(F)F)cs2)c1[O-] ZINC000436795137 338287678 /nfs/dbraw/zinc/28/76/78/338287678.db2.gz XXSKFYOAUJUVHZ-UHFFFAOYSA-N -1 3 316.304 3.514 20 0 DHADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])cc1C ZINC000436797819 338287810 /nfs/dbraw/zinc/28/78/10/338287810.db2.gz PLQDZERCXIPUBB-QGZVFWFLSA-N -1 3 311.381 3.692 20 0 DHADHM CCc1c(NC(=O)c2ccc([O-])c(C)c2)cnn1CCC(C)C ZINC000436807436 338288214 /nfs/dbraw/zinc/28/82/14/338288214.db2.gz YLZCGUAPNXVXEM-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM Cc1cccc(C(=O)NCc2ccccc2OC2CCC2)c1[O-] ZINC000436811417 338288237 /nfs/dbraw/zinc/28/82/37/338288237.db2.gz AMRMTSUCXJZJRA-UHFFFAOYSA-N -1 3 311.381 3.562 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c([O-])c1 ZINC000436820182 338288671 /nfs/dbraw/zinc/28/86/71/338288671.db2.gz LBGLOPPTVKSFCA-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM CCc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)c([O-])c1 ZINC000436836442 338289177 /nfs/dbraw/zinc/28/91/77/338289177.db2.gz DWASYGADAIHWRD-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)no2)c([O-])c1 ZINC000436842157 338289701 /nfs/dbraw/zinc/28/97/01/338289701.db2.gz VXENWQBDXYBHSH-UHFFFAOYSA-N -1 3 323.352 3.630 20 0 DHADHM COc1cc(Cl)c(NC(=O)c2cc(C)ccc2[O-])cc1C ZINC000436847348 338289782 /nfs/dbraw/zinc/28/97/82/338289782.db2.gz JRYJDZODXHMVCF-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000436849118 338289820 /nfs/dbraw/zinc/28/98/20/338289820.db2.gz CVIJBPXGYLIBSA-FQEVSTJZSA-N -1 3 309.409 3.976 20 0 DHADHM COc1cccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1[O-] ZINC000436859768 338290157 /nfs/dbraw/zinc/29/01/57/338290157.db2.gz DCCHQPFKNFJRLY-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM CCOc1cc(-c2noc([C@@H](OC)[C@H](C)CC)n2)ccc1[O-] ZINC000436869055 338290629 /nfs/dbraw/zinc/29/06/29/338290629.db2.gz CMKJBNFJWQOWGZ-YGRLFVJLSA-N -1 3 306.362 3.575 20 0 DHADHM [O-]c1ccc(-c2noc(C3(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000436867807 338290709 /nfs/dbraw/zinc/29/07/09/338290709.db2.gz DRQBYTKQEIKENQ-UHFFFAOYSA-N -1 3 310.328 3.856 20 0 DHADHM CC[C@H](C)CN(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436874274 338291172 /nfs/dbraw/zinc/29/11/72/338291172.db2.gz VCVKDHMQMKGIDS-LBPRGKRZSA-N -1 3 305.418 3.614 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1 ZINC000436885574 338291863 /nfs/dbraw/zinc/29/18/63/338291863.db2.gz KNRHPMBKBVVSCK-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(C)c2)C12CCCCC2 ZINC000436898827 338292458 /nfs/dbraw/zinc/29/24/58/338292458.db2.gz AEFOLHPRYWLBPP-SJORKVTESA-N -1 3 317.429 3.558 20 0 DHADHM CCO[C@H]1C[C@H](NC(=O)c2ccc([O-])c(C)c2)C12CCCCC2 ZINC000436898826 338292541 /nfs/dbraw/zinc/29/25/41/338292541.db2.gz AEFOLHPRYWLBPP-IRXDYDNUSA-N -1 3 317.429 3.558 20 0 DHADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1cccc(Cl)c1 ZINC000436918594 338293366 /nfs/dbraw/zinc/29/33/66/338293366.db2.gz HPYDQVZEVALOEG-CQSZACIVSA-N -1 3 319.788 3.935 20 0 DHADHM COc1cccc(C(=O)N2CCC(C)(CC(C)C)CC2)c1[O-] ZINC000436919137 338293492 /nfs/dbraw/zinc/29/34/92/338293492.db2.gz BLGZGXSDMRAJFM-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM COc1cccc(C(=O)N[C@H](c2ccccc2C)C2CC2)c1[O-] ZINC000436919207 338293550 /nfs/dbraw/zinc/29/35/50/338293550.db2.gz MRPOBRQXNRYFAV-KRWDZBQOSA-N -1 3 311.381 3.590 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)ccc1[O-] ZINC000436925344 338293669 /nfs/dbraw/zinc/29/36/69/338293669.db2.gz ZJPXZALZDMLUHL-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM COc1cccc(C2=CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000436927009 338293803 /nfs/dbraw/zinc/29/38/03/338293803.db2.gz QAEIKWHNVULUMU-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM COc1ccc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2n1 ZINC000436926832 338293831 /nfs/dbraw/zinc/29/38/31/338293831.db2.gz LETIJNQPDVOABT-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC2(CC2)C1 ZINC000436930477 338294040 /nfs/dbraw/zinc/29/40/40/338294040.db2.gz GMUADEHWTHTOCI-UHFFFAOYSA-N -1 3 321.420 3.999 20 0 DHADHM COCCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)c1ccccc1 ZINC000436929092 338294060 /nfs/dbraw/zinc/29/40/60/338294060.db2.gz UNBPYKNPVOPUKE-HNNXBMFYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)ccc1[O-] ZINC000436930743 338294091 /nfs/dbraw/zinc/29/40/91/338294091.db2.gz YFIRQCZLVBLXKI-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM COc1cccc(-c2nc([C@H](C)Oc3ccccc3)no2)c1[O-] ZINC000436932684 338294270 /nfs/dbraw/zinc/29/42/70/338294270.db2.gz QIMCKHJCYWBVPD-NSHDSACASA-N -1 3 312.325 3.591 20 0 DHADHM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000436940060 338294750 /nfs/dbraw/zinc/29/47/50/338294750.db2.gz SXQZBGQSDDGBGE-INIZCTEOSA-N -1 3 313.397 3.980 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)ccc1[O-] ZINC000436939974 338294777 /nfs/dbraw/zinc/29/47/77/338294777.db2.gz SPNLZSMAKSJFGP-JTQLQIEISA-N -1 3 307.752 3.984 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCc2ccccc21 ZINC000436946565 338295130 /nfs/dbraw/zinc/29/51/30/338295130.db2.gz JPOGVYMYOYRSJY-UHFFFAOYSA-N -1 3 307.393 3.864 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000436945746 338295185 /nfs/dbraw/zinc/29/51/85/338295185.db2.gz QCTCYCHJELEDKT-BXUZGUMPSA-N -1 3 319.763 3.779 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1Cc2ccccc2C1 ZINC000436950692 338295335 /nfs/dbraw/zinc/29/53/35/338295335.db2.gz ODJFQZYGEMSACM-UHFFFAOYSA-N -1 3 321.420 3.510 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000436952096 338295459 /nfs/dbraw/zinc/29/54/59/338295459.db2.gz VLRXTUDAARXXNT-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM CO[C@@](C)(c1noc(-c2ccc(C(C)C)cc2[O-])n1)C1CC1 ZINC000436953575 338295617 /nfs/dbraw/zinc/29/56/17/338295617.db2.gz AAELOUPCDZVAJU-QGZVFWFLSA-N -1 3 302.374 3.837 20 0 DHADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000436954951 338295714 /nfs/dbraw/zinc/29/57/14/338295714.db2.gz JCUMKADBQQPLCY-AWEZNQCLSA-N -1 3 323.314 3.858 20 0 DHADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1cc(F)ccc1F ZINC000436954873 338295762 /nfs/dbraw/zinc/29/57/62/338295762.db2.gz YKBQOACMTZDLCL-HNNXBMFYSA-N -1 3 321.323 3.560 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1(C)C ZINC000436955559 338295784 /nfs/dbraw/zinc/29/57/84/338295784.db2.gz LBTFJMNYSFGSRF-GFCCVEGCSA-N -1 3 317.429 3.614 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H](c2ccccc2)C1 ZINC000436955810 338295803 /nfs/dbraw/zinc/29/58/03/338295803.db2.gz IOCHFLAHCOOARN-QGZVFWFLSA-N -1 3 321.420 3.901 20 0 DHADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1OC(C)C ZINC000436987369 338296805 /nfs/dbraw/zinc/29/68/05/338296805.db2.gz MCVVCKMECSGHOE-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC000436991734 338297026 /nfs/dbraw/zinc/29/70/26/338297026.db2.gz ZBQBOFTXXRHASW-GJZGRUSLSA-N -1 3 317.429 3.833 20 0 DHADHM CCNc1cc(C)ccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000436996553 338297141 /nfs/dbraw/zinc/29/71/41/338297141.db2.gz DHHVSEIDJYXULZ-UHFFFAOYSA-N -1 3 314.385 3.702 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000438677376 338350742 /nfs/dbraw/zinc/35/07/42/338350742.db2.gz GLFZLIXEIYUQLP-FUHWJXTLSA-N -1 3 309.409 3.842 20 0 DHADHM O=C(c1cccc(F)c1Cl)N1CCCc2cccc([O-])c21 ZINC000156478247 338363341 /nfs/dbraw/zinc/36/33/41/338363341.db2.gz JIFSCLLQCYZMQG-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1[O-] ZINC000572485962 338382666 /nfs/dbraw/zinc/38/26/66/338382666.db2.gz HXVLQNJJFXJMQG-LSDHHAIUSA-N -1 3 301.386 3.750 20 0 DHADHM CCc1ccc([O-])c(C(=O)NCc2cc(C(CC)CC)no2)c1 ZINC000440067328 338383144 /nfs/dbraw/zinc/38/31/44/338383144.db2.gz AXWMZPRMIMHVJO-UHFFFAOYSA-N -1 3 316.401 3.776 20 0 DHADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1c(Cl)ccc2ccccc21 ZINC000440401038 338386756 /nfs/dbraw/zinc/38/67/56/338386756.db2.gz VIMMMYRNCJUCOY-CYBMUJFWSA-N -1 3 321.829 3.880 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1 ZINC000440732460 338396139 /nfs/dbraw/zinc/39/61/39/338396139.db2.gz MOALJQQJRIJXDG-NSHDSACASA-N -1 3 305.324 3.512 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1ncccc1Oc1ccccc1 ZINC000440742846 338396456 /nfs/dbraw/zinc/39/64/56/338396456.db2.gz WAYJPFMZJVXEQF-UHFFFAOYSA-N -1 3 309.325 3.731 20 0 DHADHM O=C([N-]c1nc(-c2ccco2)cs1)c1cc(C2CC2)no1 ZINC000440765034 338396865 /nfs/dbraw/zinc/39/68/65/338396865.db2.gz WEKDGTCCAKKORU-UHFFFAOYSA-N -1 3 301.327 3.521 20 0 DHADHM C[C@H](CS(=O)(=O)[N-]c1ccc2ccoc2c1)c1ccccc1 ZINC000442824784 338433605 /nfs/dbraw/zinc/43/36/05/338433605.db2.gz GMSJHFNARJAYMO-CYBMUJFWSA-N -1 3 315.394 3.978 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449583182 338639887 /nfs/dbraw/zinc/63/98/87/338639887.db2.gz HUIYINFWZIPRMT-ZDUSSCGKSA-N -1 3 311.278 3.726 20 0 DHADHM Cc1cc(Br)cc(C(=O)Nc2ccccc2[O-])c1 ZINC000162901172 338670706 /nfs/dbraw/zinc/67/07/06/338670706.db2.gz IRKRDYAYNBXGHQ-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1cnc(CCCC(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000450940350 338713438 /nfs/dbraw/zinc/71/34/38/338713438.db2.gz RISIGDFGUNSMCZ-LBPRGKRZSA-N -1 3 314.385 3.552 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000452750673 338777792 /nfs/dbraw/zinc/77/77/92/338777792.db2.gz FRBPJENVLIMMQU-PSASIEDQSA-N -1 3 312.207 3.838 20 0 DHADHM C[C@H](CC(C)(C)C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000457192856 338955314 /nfs/dbraw/zinc/95/53/14/338955314.db2.gz MOERTYQEZHJFEJ-SECBINFHSA-N -1 3 303.324 3.966 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4CCCC[C@H]4C3)c[n-]c12 ZINC000164568857 339002556 /nfs/dbraw/zinc/00/25/56/339002556.db2.gz QXWCUWDUHUBLNJ-KBPBESRZSA-N -1 3 310.397 3.511 20 0 DHADHM C[C@H]1c2cccn2CCN1Cc1cccc([O-])c1Br ZINC000459308658 339020818 /nfs/dbraw/zinc/02/08/18/339020818.db2.gz YETVKWFEYTYDDJ-NSHDSACASA-N -1 3 321.218 3.533 20 0 DHADHM CC(C)N(Cc1ccc(F)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459327354 339021938 /nfs/dbraw/zinc/02/19/38/339021938.db2.gz NVRRLDXOHOAZLW-UHFFFAOYSA-N -1 3 315.392 3.609 20 0 DHADHM CCOc1cc(CN2CCS[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000459335770 339022445 /nfs/dbraw/zinc/02/24/45/339022445.db2.gz CGKGQFWAEBMNIB-MNOVXSKESA-N -1 3 315.866 3.770 20 0 DHADHM [O-]c1cccc(CN2CCc3ccsc3C2)c1Br ZINC000459340992 339022893 /nfs/dbraw/zinc/02/28/93/339022893.db2.gz FXBNGIIWABSJSU-UHFFFAOYSA-N -1 3 324.243 3.775 20 0 DHADHM O=c1cc(CN(C2CC2)[C@H]2CCc3ccccc32)nc(C2CC2)[n-]1 ZINC000459354985 339023903 /nfs/dbraw/zinc/02/39/03/339023903.db2.gz PHMUTRMIKJQFHW-SFHVURJKSA-N -1 3 321.424 3.712 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1c(F)cccc1Cl ZINC000459380360 339025855 /nfs/dbraw/zinc/02/58/55/339025855.db2.gz BHKKOFVJFFJYTK-SECBINFHSA-N -1 3 321.783 3.703 20 0 DHADHM Cc1cc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)c(C)o1 ZINC000459409689 339027586 /nfs/dbraw/zinc/02/75/86/339027586.db2.gz RTRAANDZUAGSPF-ZDUSSCGKSA-N -1 3 323.396 3.910 20 0 DHADHM C[C@H](c1ccncc1)N(C)Cc1cccc([O-])c1Br ZINC000459480094 339031689 /nfs/dbraw/zinc/03/16/89/339031689.db2.gz LHGXFTIXSUMOQR-LLVKDONJSA-N -1 3 321.218 3.743 20 0 DHADHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000462320253 339075777 /nfs/dbraw/zinc/07/57/77/339075777.db2.gz RWQQMLPGWQCJBB-UHFFFAOYSA-N -1 3 319.829 3.726 20 0 DHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462488202 339079932 /nfs/dbraw/zinc/07/99/32/339079932.db2.gz HPHNMBSRAAFZBS-UHFFFAOYSA-N -1 3 307.818 3.726 20 0 DHADHM CC[C@@H](C)[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000462887245 339096351 /nfs/dbraw/zinc/09/63/51/339096351.db2.gz AEOPHWHQMLNIAP-QMTHXVAHSA-N -1 3 315.808 3.579 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCCC12CCCC2 ZINC000463536559 339120717 /nfs/dbraw/zinc/12/07/17/339120717.db2.gz PGLXDCAHQVQXSP-MRXNPFEDSA-N -1 3 320.408 3.834 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)c(F)c1 ZINC000468562227 339266577 /nfs/dbraw/zinc/26/65/77/339266577.db2.gz ZGPCRYDZQBQSNF-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(Cl)cc1 ZINC000468583422 339266819 /nfs/dbraw/zinc/26/68/19/339266819.db2.gz DHRJYVWEPAAHFB-UHFFFAOYSA-N -1 3 321.779 3.824 20 0 DHADHM C[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)c2c([O-])cccc21 ZINC000468809788 339271432 /nfs/dbraw/zinc/27/14/32/339271432.db2.gz CJCOQOFBZNCHBX-ZDUSSCGKSA-N -1 3 321.376 3.708 20 0 DHADHM CC[C@@H]1CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468861766 339273051 /nfs/dbraw/zinc/27/30/51/339273051.db2.gz GTCSTRWXKXVWKE-GDBMZVCRSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000468956343 339275960 /nfs/dbraw/zinc/27/59/60/339275960.db2.gz LUUXDIQMUZUOEU-UONOGXRCSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000469093857 339280017 /nfs/dbraw/zinc/28/00/17/339280017.db2.gz VNOCXXVOPFVZPS-XJKCOSOUSA-N -1 3 307.409 3.795 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000469414578 339288339 /nfs/dbraw/zinc/28/83/39/339288339.db2.gz SZMDEKZAUFUCEM-GOEBONIOSA-N -1 3 305.393 3.645 20 0 DHADHM CC(C)C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469417434 339288370 /nfs/dbraw/zinc/28/83/70/339288370.db2.gz DNFSJJIDUOOPIB-OAHLLOKOSA-N -1 3 307.409 3.749 20 0 DHADHM CCOc1nc2ccc(C(=O)N(CC)c3ccccc3)cc2[n-]1 ZINC000469518930 339292450 /nfs/dbraw/zinc/29/24/50/339292450.db2.gz LGECUCFLRRWJAB-UHFFFAOYSA-N -1 3 309.369 3.628 20 0 DHADHM CCOc1nc2cc(C(=O)N(CC)c3ccccc3)ccc2[n-]1 ZINC000469518930 339292451 /nfs/dbraw/zinc/29/24/51/339292451.db2.gz LGECUCFLRRWJAB-UHFFFAOYSA-N -1 3 309.369 3.628 20 0 DHADHM CCC(C)(C)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000470134143 339311467 /nfs/dbraw/zinc/31/14/67/339311467.db2.gz RDOUTABKPXEIRW-UHFFFAOYSA-N -1 3 313.401 3.797 20 0 DHADHM COc1ccc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1OC ZINC000470256645 339315341 /nfs/dbraw/zinc/31/53/41/339315341.db2.gz WZETUEZCTHLTOS-SOFGYWHQSA-N -1 3 314.385 3.667 20 0 DHADHM CCc1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471636196 339350047 /nfs/dbraw/zinc/35/00/47/339350047.db2.gz UKTBVEGRSGTNJX-AWEZNQCLSA-N -1 3 304.415 3.538 20 0 DHADHM O=C(Nc1ccc(Cl)c(F)c1)c1c[n-]nc1-c1ccncc1 ZINC000471817852 339355148 /nfs/dbraw/zinc/35/51/48/339355148.db2.gz WZDJHTTWEWTZCC-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM O=C(Nc1ccc(Cl)c(F)c1)c1cn[n-]c1-c1ccncc1 ZINC000471817852 339355149 /nfs/dbraw/zinc/35/51/49/339355149.db2.gz WZDJHTTWEWTZCC-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM CC(C)(C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C(F)F ZINC000473210258 339383755 /nfs/dbraw/zinc/38/37/55/339383755.db2.gz XSZFZDDUTSMRTB-UHFFFAOYSA-N -1 3 313.222 3.521 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CNCc2ncccc2[O-])o1 ZINC000475340542 339447841 /nfs/dbraw/zinc/44/78/41/339447841.db2.gz WNAZLXNZCLYGRZ-UHFFFAOYSA-N -1 3 312.344 3.785 20 0 DHADHM CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](O)C2)c([O-])c(C(C)C)c1 ZINC000476510166 339477812 /nfs/dbraw/zinc/47/78/12/339477812.db2.gz MOTJBVBVYSBKBH-ZFWWWQNUSA-N -1 3 319.445 3.530 20 0 DHADHM CCSc1nnc([N-]C(=O)c2scc(C)c2Cl)s1 ZINC000479668202 339545248 /nfs/dbraw/zinc/54/52/48/339545248.db2.gz WXLJYBAOYMXGOP-UHFFFAOYSA-N -1 3 319.864 3.926 20 0 DHADHM O=S(=O)(CCc1ccccc1)[N-]c1csc2ccccc12 ZINC000484061564 339680332 /nfs/dbraw/zinc/68/03/32/339680332.db2.gz XVUJXCUMOROFBT-UHFFFAOYSA-N -1 3 317.435 3.886 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C ZINC000485119698 339698830 /nfs/dbraw/zinc/69/88/30/339698830.db2.gz IWRLHKUWRGCMPB-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1[O-] ZINC000485460957 339703741 /nfs/dbraw/zinc/70/37/41/339703741.db2.gz DXWNCXLMFDQGNU-LLVKDONJSA-N -1 3 301.411 3.776 20 0 DHADHM CCc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1[O-] ZINC000485556159 339705641 /nfs/dbraw/zinc/70/56/41/339705641.db2.gz FXUKODDVSITWCX-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM Cc1ccc([N-]C(=O)c2scnc2C(F)(F)F)c(F)c1 ZINC000485743193 339711985 /nfs/dbraw/zinc/71/19/85/339711985.db2.gz PUDCKFLSOQOCDC-UHFFFAOYSA-N -1 3 304.268 3.862 20 0 DHADHM CCc1cc(C(=O)Nc2ccccc2-n2ccc(C)n2)ccc1[O-] ZINC000486618203 339730036 /nfs/dbraw/zinc/73/00/36/339730036.db2.gz VAGYHCXIWWCFCG-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM Cc1cc(C)c(CC(=O)N2CCCc3cccc([O-])c32)c(C)c1 ZINC000490871870 339842438 /nfs/dbraw/zinc/84/24/38/339842438.db2.gz ALMDRWMLVBICPM-UHFFFAOYSA-N -1 3 309.409 3.839 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000499509246 340038277 /nfs/dbraw/zinc/03/82/77/340038277.db2.gz ZWNQFXDROMPSTH-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM Cc1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)ccc1[O-] ZINC000499948168 340047440 /nfs/dbraw/zinc/04/74/40/340047440.db2.gz FQGJTPJYHPOJAM-UHFFFAOYSA-N -1 3 320.320 3.841 20 0 DHADHM Cc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c([O-])c1 ZINC000502953619 340117526 /nfs/dbraw/zinc/11/75/26/340117526.db2.gz XYPHACSOXHLZCF-INIZCTEOSA-N -1 3 311.381 3.847 20 0 DHADHM O=C(CCc1cccc(F)c1F)Nc1cc(Cl)ccc1[O-] ZINC000504637013 340150419 /nfs/dbraw/zinc/15/04/19/340150419.db2.gz FYBVGAGCXGYOQW-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM CN(Cc1cccc(F)c1)Cc1cc([O-])ccc1Br ZINC000505597595 340172305 /nfs/dbraw/zinc/17/23/05/340172305.db2.gz SBPZLPWJSYVFNC-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cnc3ccccc3n2)c([O-])c1 ZINC000506256869 340190212 /nfs/dbraw/zinc/19/02/12/340190212.db2.gz XKZYANXVAYODRG-UHFFFAOYSA-N -1 3 321.380 3.885 20 0 DHADHM O=C(CSc1cc(Cl)ccc1F)Nc1ccccc1[O-] ZINC000506385159 340193810 /nfs/dbraw/zinc/19/38/10/340193810.db2.gz YZZJFBZWSOUFJW-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM [O-]c1ccc(F)c(CN(Cc2ccccc2F)C2CC2)c1F ZINC000507023439 340205615 /nfs/dbraw/zinc/20/56/15/340205615.db2.gz UFVWLGMFPCBOMR-UHFFFAOYSA-N -1 3 307.315 3.974 20 0 DHADHM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc([O-])ccc1Cl ZINC000507173087 340211089 /nfs/dbraw/zinc/21/10/89/340211089.db2.gz KJISLHLLDBMWJQ-UHFFFAOYSA-N -1 3 314.772 3.799 20 0 DHADHM CC(C)(C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000508071062 340238791 /nfs/dbraw/zinc/23/87/91/340238791.db2.gz ZTZBRXAYGXGSBS-UHFFFAOYSA-N -1 3 303.836 3.632 20 0 DHADHM COc1cc(C)c(NC(=O)c2cc([O-])ccc2Cl)cc1C ZINC000508093674 340239084 /nfs/dbraw/zinc/23/90/84/340239084.db2.gz IITMLCLFGVOEPH-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1F ZINC000508502016 340244988 /nfs/dbraw/zinc/24/49/88/340244988.db2.gz IADXJVONJDNDRI-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM CC(C)(C)C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000508943276 340256042 /nfs/dbraw/zinc/25/60/42/340256042.db2.gz XCBWFTHWGNGKHO-UHFFFAOYSA-N -1 3 309.837 3.873 20 0 DHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000509068738 340260307 /nfs/dbraw/zinc/26/03/07/340260307.db2.gz KEZIPWUEGQMFNZ-QGZVFWFLSA-N -1 3 315.800 3.700 20 0 DHADHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc([O-])c1Cl ZINC000509083959 340260747 /nfs/dbraw/zinc/26/07/47/340260747.db2.gz NSUCNHAZPPTEMD-YVEFUNNKSA-N -1 3 317.816 3.870 20 0 DHADHM C[C@H](CN(C)C(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000509333315 340266442 /nfs/dbraw/zinc/26/64/42/340266442.db2.gz DWSPXJFDZWULHR-CYBMUJFWSA-N -1 3 317.816 3.850 20 0 DHADHM Cc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1[O-] ZINC000302844677 340283777 /nfs/dbraw/zinc/28/37/77/340283777.db2.gz GRQKXJVXJQRLPJ-UHFFFAOYSA-N -1 3 311.356 3.769 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3[O-])on2)cc1 ZINC000302956915 340289738 /nfs/dbraw/zinc/28/97/38/340289738.db2.gz PIVNGFWIZVMENJ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM COc1ccc(Cl)cc1CNCc1c(F)ccc([O-])c1F ZINC000510270512 340294697 /nfs/dbraw/zinc/29/46/97/340294697.db2.gz NGMXTMCADDNHOZ-UHFFFAOYSA-N -1 3 313.731 3.622 20 0 DHADHM Cc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1[O-] ZINC000303036047 340297207 /nfs/dbraw/zinc/29/72/07/340297207.db2.gz YMAMCYOEMJFPPZ-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2SCCc3ccccc32)c1F ZINC000511452673 340327620 /nfs/dbraw/zinc/32/76/20/340327620.db2.gz CYQKTYPSVNVEEC-MRXNPFEDSA-N -1 3 321.392 3.791 20 0 DHADHM Cc1cccc([C@@H]([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F)c1 ZINC000511708974 340335887 /nfs/dbraw/zinc/33/58/87/340335887.db2.gz VXUUZYYSMBHJGZ-WCBMZHEXSA-N -1 3 313.241 3.913 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000512031137 340346006 /nfs/dbraw/zinc/34/60/06/340346006.db2.gz NHXKETWZFAPLPU-DTWKUNHWSA-N -1 3 310.246 3.706 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC000304045174 340359127 /nfs/dbraw/zinc/35/91/27/340359127.db2.gz OGOLDVGTEBQFBZ-DOTOQJQBSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 ZINC000304070688 340359674 /nfs/dbraw/zinc/35/96/74/340359674.db2.gz UITIWOQCAUPIPG-WBVHZDCISA-N -1 3 309.409 3.966 20 0 DHADHM C[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000512503998 340364557 /nfs/dbraw/zinc/36/45/57/340364557.db2.gz NNHOZUSNKMCBRP-LLVKDONJSA-N -1 3 316.380 3.766 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000183283582 340487302 /nfs/dbraw/zinc/48/73/02/340487302.db2.gz SCRFSTWUPLNEPE-OLZOCXBDSA-N -1 3 305.736 3.927 20 0 DHADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000523408780 340623295 /nfs/dbraw/zinc/62/32/95/340623295.db2.gz OWYBBHRWBVBRML-JTQLQIEISA-N -1 3 324.302 3.938 20 0 DHADHM C[C@@H]1CCc2sc(C(=O)NCc3ccc([O-])c(F)c3)cc2C1 ZINC000523424813 340623729 /nfs/dbraw/zinc/62/37/29/340623729.db2.gz PVXQZGSVZZVSJT-SNVBAGLBSA-N -1 3 319.401 3.648 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000234844782 340654645 /nfs/dbraw/zinc/65/46/45/340654645.db2.gz KQBIPCJIFIPYFO-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM O=C([C@@H]1Cc2c1cccc2Cl)N1CCCc2cccc([O-])c21 ZINC000528938750 340740132 /nfs/dbraw/zinc/74/01/32/340740132.db2.gz QMEQBUPQHSWVSX-CQSZACIVSA-N -1 3 313.784 3.665 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000529507306 340758297 /nfs/dbraw/zinc/75/82/97/340758297.db2.gz ZPAVZGRWOJUMSB-HZMBPMFUSA-N -1 3 324.218 3.559 20 0 DHADHM O=C(NCC[C@@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000529871310 340772606 /nfs/dbraw/zinc/77/26/06/340772606.db2.gz YJLMMNMTGOIYAA-LLVKDONJSA-N -1 3 313.319 3.887 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2nc3ccccc3s2)cc1F ZINC000126356091 340826372 /nfs/dbraw/zinc/82/63/72/340826372.db2.gz IUCJQHBKNUGDIB-UHFFFAOYSA-N -1 3 320.320 3.835 20 0 DHADHM CCCCOc1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000066388286 340845962 /nfs/dbraw/zinc/84/59/62/340845962.db2.gz XACHLNFCGXCCMF-CYBMUJFWSA-N -1 3 317.389 3.601 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2cccc([O-])c2F)c1C ZINC000128550327 340895760 /nfs/dbraw/zinc/89/57/60/340895760.db2.gz BFYSOQPOMQSIDR-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000540206495 340923399 /nfs/dbraw/zinc/92/33/99/340923399.db2.gz RFXAFGGXELCMBD-JKSUJKDBSA-N -1 3 319.426 3.593 20 0 DHADHM Cc1ccc(SCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129215215 340951304 /nfs/dbraw/zinc/95/13/04/340951304.db2.gz XLBDZXCKNXCPPT-UHFFFAOYSA-N -1 3 305.374 3.961 20 0 DHADHM CC[C@@H](C)Oc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1 ZINC000542186994 340998905 /nfs/dbraw/zinc/99/89/05/340998905.db2.gz DMJVKNWOYWDAHN-LLVKDONJSA-N -1 3 312.344 3.907 20 0 DHADHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc([O-])ccc1Cl ZINC000564256200 341010424 /nfs/dbraw/zinc/01/04/24/341010424.db2.gz UCJWTQMHHLKNGV-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCc2ccc(Cl)cc21 ZINC000543144686 341034257 /nfs/dbraw/zinc/03/42/57/341034257.db2.gz OWRYPPKCQWFEHP-GFCCVEGCSA-N -1 3 309.822 3.827 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc([C@@H]2CCCO2)n1 ZINC000130736301 341039931 /nfs/dbraw/zinc/03/99/31/341039931.db2.gz NZBUOIPCRSLMFQ-LBPRGKRZSA-N -1 3 324.789 3.606 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccncc1Cl ZINC000130822610 341047926 /nfs/dbraw/zinc/04/79/26/341047926.db2.gz YIEIXXAFTWKZHM-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM CCCc1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000072505985 341087556 /nfs/dbraw/zinc/08/75/56/341087556.db2.gz DXVBZULFRSZHBF-UHFFFAOYSA-N -1 3 300.305 3.765 20 0 DHADHM Cc1cncc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000545019615 341104462 /nfs/dbraw/zinc/10/44/62/341104462.db2.gz DBEKZCLFTQSRES-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1csc(=O)[n-]1 ZINC000545309531 341120417 /nfs/dbraw/zinc/12/04/17/341120417.db2.gz NQURZHQWJVNSMC-AWEZNQCLSA-N -1 3 320.389 3.649 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 ZINC000545993490 341150153 /nfs/dbraw/zinc/15/01/53/341150153.db2.gz LMRFXPSNUQHRNE-QGZVFWFLSA-N -1 3 311.381 3.768 20 0 DHADHM Cc1cccc2c1CC[C@@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000133108628 341154834 /nfs/dbraw/zinc/15/48/34/341154834.db2.gz JZRKDLRHIUKTEC-KRWDZBQOSA-N -1 3 315.800 3.700 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000546173643 341155973 /nfs/dbraw/zinc/15/59/73/341155973.db2.gz SJNQNHXUYUQKPU-UHFFFAOYSA-N -1 3 321.364 3.539 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c(F)c1 ZINC000133412260 341174944 /nfs/dbraw/zinc/17/49/44/341174944.db2.gz AWNTWRUQRUAMGN-ZDUSSCGKSA-N -1 3 307.390 3.680 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc(C3CC3)cn2)c2c([O-])cccc21 ZINC000547367452 341209219 /nfs/dbraw/zinc/20/92/19/341209219.db2.gz GIIWYJLMLPPIOX-GFCCVEGCSA-N -1 3 308.381 3.819 20 0 DHADHM O=C(CSc1nccc2ccccc21)Nc1ccccc1[O-] ZINC000134223995 341210050 /nfs/dbraw/zinc/21/00/50/341210050.db2.gz RQJIIBMMALTDOA-UHFFFAOYSA-N -1 3 310.378 3.671 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(C)(C)C)cc2)n1 ZINC000078089379 341235700 /nfs/dbraw/zinc/23/57/00/341235700.db2.gz XBRDCPYBXYNORA-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1O ZINC000078237534 341238611 /nfs/dbraw/zinc/23/86/11/341238611.db2.gz FQGWNWWEISZRAE-UHFFFAOYSA-N -1 3 323.389 3.566 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000547955159 341240493 /nfs/dbraw/zinc/24/04/93/341240493.db2.gz LTVUGZVEIQFKNE-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM CCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC1CC1 ZINC000078664946 341245950 /nfs/dbraw/zinc/24/59/50/341245950.db2.gz QYJSLKWUKXCQHF-UHFFFAOYSA-N -1 3 311.385 3.704 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000078968370 341250772 /nfs/dbraw/zinc/25/07/72/341250772.db2.gz OPWLNIVFTVYPHR-UHFFFAOYSA-N -1 3 312.369 3.692 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000136113869 341253014 /nfs/dbraw/zinc/25/30/14/341253014.db2.gz TUOOAOCATDHBBP-KRWDZBQOSA-N -1 3 315.800 3.952 20 0 DHADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1cncc([O-])c1)CCC2 ZINC000564349026 341258255 /nfs/dbraw/zinc/25/82/55/341258255.db2.gz JPNJHKKHPLURIL-LJQANCHMSA-N -1 3 324.424 3.647 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCOCC(F)(F)F)c([O-])c1 ZINC000548890339 341280033 /nfs/dbraw/zinc/28/00/33/341280033.db2.gz RONSNHMFXCDSFY-UHFFFAOYSA-N -1 3 319.323 3.597 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2F)ccc1[O-] ZINC000548915467 341280831 /nfs/dbraw/zinc/28/08/31/341280831.db2.gz BQIXGPPKWJSVJI-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CC(C)OCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459962 341291792 /nfs/dbraw/zinc/29/17/92/341291792.db2.gz KAMISMHMQNEMBZ-UHFFFAOYSA-N -1 3 313.397 3.737 20 0 DHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000551297047 341337463 /nfs/dbraw/zinc/33/74/63/341337463.db2.gz QJAOSEGVDIQICI-UHFFFAOYSA-N -1 3 321.467 3.701 20 0 DHADHM O=C1CCC(c2nc(-c3ccc([O-])c4ccccc34)no2)CC1 ZINC000551605968 341347131 /nfs/dbraw/zinc/34/71/31/341347131.db2.gz LVZNOJSJLYXBGE-UHFFFAOYSA-N -1 3 308.337 3.822 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000552004822 341359238 /nfs/dbraw/zinc/35/92/38/341359238.db2.gz XAVLKWDCZBJJPU-FZMZJTMJSA-N -1 3 303.793 3.652 20 0 DHADHM CN(C)Cc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000552110105 341370318 /nfs/dbraw/zinc/37/03/18/341370318.db2.gz ZDVADXLEXAXUDZ-UHFFFAOYSA-N -1 3 324.424 3.585 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1C ZINC000248835739 341388152 /nfs/dbraw/zinc/38/81/52/341388152.db2.gz GRGGPBKQLQYFNO-MXWKQRLJSA-N -1 3 315.335 3.966 20 0 DHADHM C[C@H](Oc1ccccc1F)C(=O)Nc1c([O-])cccc1Cl ZINC000552435360 341393536 /nfs/dbraw/zinc/39/35/36/341393536.db2.gz CFWRXBCTUDBXAI-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM C[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000249163577 341394886 /nfs/dbraw/zinc/39/48/86/341394886.db2.gz ZWRPXVPGPQOUFE-URLYPYJESA-N -1 3 315.335 3.966 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000552780022 341404167 /nfs/dbraw/zinc/40/41/67/341404167.db2.gz SFDGYUZRAXLGFD-ZDUSSCGKSA-N -1 3 324.163 3.641 20 0 DHADHM O=C(CCCc1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000565193102 341519816 /nfs/dbraw/zinc/51/98/16/341519816.db2.gz ZKFRDLCEANFAIU-UHFFFAOYSA-N -1 3 313.372 3.833 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000565775568 341537918 /nfs/dbraw/zinc/53/79/18/341537918.db2.gz ZDAFIWXYBHLDCU-YPMHNXCESA-N -1 3 307.777 3.819 20 0 DHADHM CC1CCC(OC2CCN(Cc3ccoc3C(=O)[O-])CC2)CC1 ZINC000565896919 341541878 /nfs/dbraw/zinc/54/18/78/341541878.db2.gz APVVRFGYMYXTAJ-UHFFFAOYSA-N -1 3 321.417 3.538 20 0 DHADHM CC(C)(C)c1cccc(OCCN2CCC(CC(=O)[O-])CC2)c1 ZINC000565897278 341541898 /nfs/dbraw/zinc/54/18/98/341541898.db2.gz AWFHYJFVMKIDRV-UHFFFAOYSA-N -1 3 319.445 3.550 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)c(F)c1 ZINC000404875113 341574660 /nfs/dbraw/zinc/57/46/60/341574660.db2.gz AEVNEKYUSDMPCH-UHFFFAOYSA-N -1 3 301.427 3.627 20 0 DHADHM O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1csc(=O)[n-]1 ZINC000569081690 341690145 /nfs/dbraw/zinc/69/01/45/341690145.db2.gz TWFFLGIZWYSWNY-JQWIXIFHSA-N -1 3 322.817 3.568 20 0 DHADHM O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1csc(=O)[n-]1 ZINC000569081689 341690192 /nfs/dbraw/zinc/69/01/92/341690192.db2.gz TWFFLGIZWYSWNY-CMPLNLGQSA-N -1 3 322.817 3.568 20 0 DHADHM CN(CCC1CCCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163754223 341700986 /nfs/dbraw/zinc/70/09/86/341700986.db2.gz BZZABEYUVBVTGL-UHFFFAOYSA-N -1 3 308.397 3.643 20 0 DHADHM Cc1ccccc1[C@H](CC(F)(F)F)NCc1ncccc1[O-] ZINC000574606254 341763571 /nfs/dbraw/zinc/76/35/71/341763571.db2.gz IOLBSZDUPXLAQL-ZDUSSCGKSA-N -1 3 310.319 3.879 20 0 DHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000574772015 341768493 /nfs/dbraw/zinc/76/84/93/341768493.db2.gz WTKZGNXIEDTMNZ-MGPUTAFESA-N -1 3 324.424 3.638 20 0 DHADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174870569 341832728 /nfs/dbraw/zinc/83/27/28/341832728.db2.gz IBCZUJCWOPTGJO-UHFFFAOYSA-N -1 3 314.291 3.779 20 0 DHADHM CCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1OCC ZINC000174897875 341832926 /nfs/dbraw/zinc/83/29/26/341832926.db2.gz TXUFNTSIYAPKEZ-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM CC1CCC(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000192866032 341894914 /nfs/dbraw/zinc/89/49/14/341894914.db2.gz PLMRBEMIESSRJT-UHFFFAOYSA-N -1 3 315.335 3.967 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000577240732 341899760 /nfs/dbraw/zinc/89/97/60/341899760.db2.gz UNZRAWVMPUYJLQ-OAHLLOKOSA-N -1 3 311.381 3.711 20 0 DHADHM Cc1cnc(CCSCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000578013326 341970547 /nfs/dbraw/zinc/97/05/47/341970547.db2.gz MOVCTDMTRGOYTQ-UHFFFAOYSA-N -1 3 315.442 3.547 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2csc(C3CC3)n2)n1 ZINC000135268668 517843796 /nfs/dbraw/zinc/84/37/96/517843796.db2.gz KPFNBJZDSNESKM-UHFFFAOYSA-N -1 3 307.444 3.512 20 0 DHADHM O=S(=O)(Cc1ccccc1F)[N-]c1cccc(F)c1Cl ZINC000577096118 518202759 /nfs/dbraw/zinc/20/27/59/518202759.db2.gz JMDLPKVUWJZURR-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM CC(C)Sc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000156207282 519788488 /nfs/dbraw/zinc/78/84/88/519788488.db2.gz ZPSIXGWOMSPIIA-AWEZNQCLSA-N -1 3 310.419 3.767 20 0 DHADHM CC(C)Sc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000156207282 519788489 /nfs/dbraw/zinc/78/84/89/519788489.db2.gz ZPSIXGWOMSPIIA-AWEZNQCLSA-N -1 3 310.419 3.767 20 0 DHADHM CC(C)n1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000265081102 519997510 /nfs/dbraw/zinc/99/75/10/519997510.db2.gz QLOPTVVYLARBEX-UHFFFAOYSA-N -1 3 301.390 3.719 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000365008258 520080960 /nfs/dbraw/zinc/08/09/60/520080960.db2.gz LKTFMZQTKAFVCJ-MRXNPFEDSA-N -1 3 310.397 3.635 20 0 DHADHM CCC(CC)n1nc(C(=O)Nc2ccc(C)cc2[O-])cc1C ZINC000180343758 521643733 /nfs/dbraw/zinc/64/37/33/521643733.db2.gz CYNVLVSTOKFCBB-UHFFFAOYSA-N -1 3 301.390 3.819 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000283889215 534616302 /nfs/dbraw/zinc/61/63/02/534616302.db2.gz INLCYUPJALYCIA-LLVKDONJSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc([O-])c2)s1 ZINC000182497563 522230231 /nfs/dbraw/zinc/23/02/31/522230231.db2.gz WTJMKVJIFSQROD-NSHDSACASA-N -1 3 304.415 3.553 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c([O-])c1 ZINC000364917218 523885717 /nfs/dbraw/zinc/88/57/17/523885717.db2.gz PKFFCDLJRPISAN-HNNXBMFYSA-N -1 3 316.426 3.697 20 0 DHADHM Cc1cccc2c1OCC[C@@H]2NCc1cccc([O-])c1Cl ZINC000339370696 524954958 /nfs/dbraw/zinc/95/49/58/524954958.db2.gz CCOGYMKGXCOHBI-AWEZNQCLSA-N -1 3 303.789 3.967 20 0 DHADHM Cc1cccc2c1OCC[C@H]2NCc1cccc([O-])c1Cl ZINC000339370697 524956713 /nfs/dbraw/zinc/95/67/13/524956713.db2.gz CCOGYMKGXCOHBI-CQSZACIVSA-N -1 3 303.789 3.967 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C ZINC000154829210 525230030 /nfs/dbraw/zinc/23/00/30/525230030.db2.gz YZMOJZPUHWOSLW-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182905839 525879775 /nfs/dbraw/zinc/87/97/75/525879775.db2.gz ZZATYGFGSSUXEC-ZIAGYGMSSA-N -1 3 313.422 3.845 20 0 DHADHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000336890817 525980855 /nfs/dbraw/zinc/98/08/55/525980855.db2.gz NGGZMSOFKXJTJR-UHFFFAOYSA-N -1 3 309.297 3.783 20 0 DHADHM Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)c([O-])c1 ZINC000267781363 526072089 /nfs/dbraw/zinc/07/20/89/526072089.db2.gz YIEQNZRBYAKTKM-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM CSc1ccsc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000337263526 526203688 /nfs/dbraw/zinc/20/36/88/526203688.db2.gz ZVWKDPLUJKZSFN-UHFFFAOYSA-N -1 3 323.424 3.834 20 0 DHADHM Cc1cnn(-c2ccncc2NCc2cccc([O-])c2Cl)c1 ZINC000339322192 526250532 /nfs/dbraw/zinc/25/05/32/526250532.db2.gz WTDBFTCHRBIIEQ-UHFFFAOYSA-N -1 3 314.776 3.547 20 0 DHADHM Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000265782619 526661281 /nfs/dbraw/zinc/66/12/81/526661281.db2.gz JOIIKFILABGFDU-UHFFFAOYSA-N -1 3 322.405 3.524 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000156236690 526685419 /nfs/dbraw/zinc/68/54/19/526685419.db2.gz KSXTXEVPRUALJU-WDEREUQCSA-N -1 3 319.298 3.516 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(SC(F)F)c1 ZINC000155986848 526852307 /nfs/dbraw/zinc/85/23/07/526852307.db2.gz UUPWWUSKIWDLRP-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(SC(F)F)c1 ZINC000155986848 526852314 /nfs/dbraw/zinc/85/23/14/526852314.db2.gz UUPWWUSKIWDLRP-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccnc2)CCCC1 ZINC000365858602 527113516 /nfs/dbraw/zinc/11/35/16/527113516.db2.gz VSBKMQYTTAFCRF-UHFFFAOYSA-N -1 3 316.788 3.891 20 0 DHADHM O=C([N-]c1nccc2sccc21)c1nc2cccnc2s1 ZINC000338182654 527520741 /nfs/dbraw/zinc/52/07/41/527520741.db2.gz WFJWWKMUESDUFQ-UHFFFAOYSA-N -1 3 312.379 3.553 20 0 DHADHM Clc1cccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737576535 598940789 /nfs/dbraw/zinc/94/07/89/598940789.db2.gz YROOJOHAHITNGD-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Clc1cccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737576535 598940791 /nfs/dbraw/zinc/94/07/91/598940791.db2.gz YROOJOHAHITNGD-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000737364718 598973918 /nfs/dbraw/zinc/97/39/18/598973918.db2.gz CXAPRFUGDRLVAV-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000737364718 598973920 /nfs/dbraw/zinc/97/39/20/598973920.db2.gz CXAPRFUGDRLVAV-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736194165 599063701 /nfs/dbraw/zinc/06/37/01/599063701.db2.gz WVBOFSURGHCCIO-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736194165 599063704 /nfs/dbraw/zinc/06/37/04/599063704.db2.gz WVBOFSURGHCCIO-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000736193737 599065578 /nfs/dbraw/zinc/06/55/78/599065578.db2.gz SDVVPLMPIOBUBW-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000736193737 599065581 /nfs/dbraw/zinc/06/55/81/599065581.db2.gz SDVVPLMPIOBUBW-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737180115 599233040 /nfs/dbraw/zinc/23/30/40/599233040.db2.gz PBMHLSQZLMXROE-WDEREUQCSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737180115 599233042 /nfs/dbraw/zinc/23/30/42/599233042.db2.gz PBMHLSQZLMXROE-WDEREUQCSA-N -1 3 323.853 3.606 20 0 DHADHM CCCC[C@H](CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736439829 599241963 /nfs/dbraw/zinc/24/19/63/599241963.db2.gz ZNQZFKKEIPZSIB-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCC[C@H](CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736439829 599241966 /nfs/dbraw/zinc/24/19/66/599241966.db2.gz ZNQZFKKEIPZSIB-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000824753948 607844459 /nfs/dbraw/zinc/84/44/59/607844459.db2.gz GSFVDJWDYKMCLU-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000824753948 607844460 /nfs/dbraw/zinc/84/44/60/607844460.db2.gz GSFVDJWDYKMCLU-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)c1ccccc1F ZINC000736193768 598242523 /nfs/dbraw/zinc/24/25/23/598242523.db2.gz SVDPRZYDFILALS-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737320683 598243117 /nfs/dbraw/zinc/24/31/17/598243117.db2.gz NPSOWJJQVXCFRB-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Fc1cccc(SCCCc2ccccc2)c1-c1nnn[n-]1 ZINC000737665631 598788962 /nfs/dbraw/zinc/78/89/62/598788962.db2.gz SVVYEFJGTWHDRE-UHFFFAOYSA-N -1 3 314.389 3.731 20 0 DHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737025385 599323815 /nfs/dbraw/zinc/32/38/15/599323815.db2.gz YXJLQDXXAGGEML-CYBMUJFWSA-N -1 3 323.400 3.665 20 0 DHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737025385 599323818 /nfs/dbraw/zinc/32/38/18/599323818.db2.gz YXJLQDXXAGGEML-CYBMUJFWSA-N -1 3 323.400 3.665 20 0 DHADHM C[C@H](Nc1cccc2c1ccn2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136617 599325389 /nfs/dbraw/zinc/32/53/89/599325389.db2.gz IDRRTEXSLXYGAL-LBPRGKRZSA-N -1 3 318.384 3.532 20 0 DHADHM C[C@H](Nc1cccc2c1ccn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136617 599325392 /nfs/dbraw/zinc/32/53/92/599325392.db2.gz IDRRTEXSLXYGAL-LBPRGKRZSA-N -1 3 318.384 3.532 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1C(C)C ZINC000821736227 607369456 /nfs/dbraw/zinc/36/94/56/607369456.db2.gz HIINJNZDYFCLEY-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1C(C)C ZINC000821736227 607369458 /nfs/dbraw/zinc/36/94/58/607369458.db2.gz HIINJNZDYFCLEY-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM C[C@H](Nc1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462194 599367163 /nfs/dbraw/zinc/36/71/63/599367163.db2.gz VTPQPYSFGMFRER-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462194 599367166 /nfs/dbraw/zinc/36/71/66/599367166.db2.gz VTPQPYSFGMFRER-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822229024 599488048 /nfs/dbraw/zinc/48/80/48/599488048.db2.gz KSGRFQTVZIBHLE-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822229024 599488050 /nfs/dbraw/zinc/48/80/50/599488050.db2.gz KSGRFQTVZIBHLE-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822229271 599503895 /nfs/dbraw/zinc/50/38/95/599503895.db2.gz QRZVRUFJPLWQSE-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822229271 599503898 /nfs/dbraw/zinc/50/38/98/599503898.db2.gz QRZVRUFJPLWQSE-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM CCCCCC[C@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821050873 599623844 /nfs/dbraw/zinc/62/38/44/599623844.db2.gz UZAYLVYANQOHLE-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCCC[C@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821050873 599623845 /nfs/dbraw/zinc/62/38/45/599623845.db2.gz UZAYLVYANQOHLE-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCOc1ccc(CN(Cc2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000737205526 599849283 /nfs/dbraw/zinc/84/92/83/599849283.db2.gz KULGSSLRWPPMHN-UHFFFAOYSA-N -1 3 317.385 3.787 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000572889133 600083910 /nfs/dbraw/zinc/08/39/10/600083910.db2.gz AQKIPLWSOHVXQJ-LBPRGKRZSA-N -1 3 317.360 3.726 20 0 DHADHM CCC[C@](C)(NCc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000736962722 600322853 /nfs/dbraw/zinc/32/28/53/600322853.db2.gz MXXVBRGYSFKEMH-INIZCTEOSA-N -1 3 322.405 3.682 20 0 DHADHM Cc1ccccc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738772222 600326235 /nfs/dbraw/zinc/32/62/35/600326235.db2.gz WMSDGSAICJAAFJ-UHFFFAOYSA-N -1 3 319.351 3.750 20 0 DHADHM O=C([O-])CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000739720094 600326991 /nfs/dbraw/zinc/32/69/91/600326991.db2.gz JHEVEGNFAUCVMT-UHFFFAOYSA-N -1 3 323.314 3.581 20 0 DHADHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737194680 600419297 /nfs/dbraw/zinc/41/92/97/600419297.db2.gz GWMRGOVJKVOOCY-YVEFUNNKSA-N -1 3 317.360 3.701 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000050509341 600427359 /nfs/dbraw/zinc/42/73/59/600427359.db2.gz JZWXHMMINYKKLW-ZUZCIYMTSA-N -1 3 307.752 3.956 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1 ZINC000739509924 600428580 /nfs/dbraw/zinc/42/85/80/600428580.db2.gz VWAITXDNKMFUGV-HZPDHXFCSA-N -1 3 319.763 3.882 20 0 DHADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccccc1C(=O)[O-] ZINC000736716571 600556375 /nfs/dbraw/zinc/55/63/75/600556375.db2.gz HISFMCJMLWZPLT-LLVKDONJSA-N -1 3 305.324 3.856 20 0 DHADHM CCc1ccc(-c2nc(CN[C@](C)(CC)C(=O)[O-])cs2)cc1 ZINC000737256145 600561602 /nfs/dbraw/zinc/56/16/02/600561602.db2.gz PLKJEMWCULEOMI-QGZVFWFLSA-N -1 3 318.442 3.715 20 0 DHADHM O=C([O-])[C@H](NCc1cccc2ccccc21)c1ccccc1F ZINC000833170090 600744716 /nfs/dbraw/zinc/74/47/16/600744716.db2.gz PAJMXQVDKKYCOM-GOSISDBHSA-N -1 3 309.340 3.894 20 0 DHADHM CC[C@@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829124835 600824556 /nfs/dbraw/zinc/82/45/56/600824556.db2.gz BCRUAQDRSUVUNC-OAHLLOKOSA-N -1 3 316.426 3.883 20 0 DHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566363216 600836020 /nfs/dbraw/zinc/83/60/20/600836020.db2.gz YFJNZBRCWRHSLO-IAQYHMDHSA-N -1 3 303.333 3.700 20 0 DHADHM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccoc2C(=O)[O-])o1 ZINC000652438734 600857536 /nfs/dbraw/zinc/85/75/36/600857536.db2.gz AYPWLRWHRDKHFT-BXUZGUMPSA-N -1 3 303.358 3.852 20 0 DHADHM C[C@H]1CCN(Cc2ccoc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000652429725 601117905 /nfs/dbraw/zinc/11/79/05/601117905.db2.gz OVLIXPCUHZYNNS-XHDPSFHLSA-N -1 3 303.333 3.700 20 0 DHADHM C/C(=C/CN1CCC(c2nc(C(C)(C)C)cs2)CC1)C(=O)[O-] ZINC000825735550 601161027 /nfs/dbraw/zinc/16/10/27/601161027.db2.gz QBNSFTIQMQCAHL-XGICHPGQSA-N -1 3 322.474 3.651 20 0 DHADHM C/C(=C/CN1Cc2ccccc2C[C@H]1c1ccccc1)C(=O)[O-] ZINC000825747286 601177665 /nfs/dbraw/zinc/17/76/65/601177665.db2.gz RREIHLGMNOESHQ-HVEPWOEZSA-N -1 3 307.393 3.817 20 0 DHADHM C[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000828295552 601566401 /nfs/dbraw/zinc/56/64/01/601566401.db2.gz JPUDHUZFSFZLRH-RYUDHWBXSA-N -1 3 316.426 3.739 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC000652385939 601616591 /nfs/dbraw/zinc/61/65/91/601616591.db2.gz LENDTWYOQZZDHH-LLVKDONJSA-N -1 3 319.426 3.956 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1csc(C2CCCC2)n1 ZINC000828803844 601633862 /nfs/dbraw/zinc/63/38/62/601633862.db2.gz BUFFMWLVQKSDCO-UHFFFAOYSA-N -1 3 310.463 3.924 20 0 DHADHM CSc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832774613 601644388 /nfs/dbraw/zinc/64/43/88/601644388.db2.gz SDZSLXVASZNKIA-MRXNPFEDSA-N -1 3 319.401 3.772 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000566355218 601841390 /nfs/dbraw/zinc/84/13/90/601841390.db2.gz ZDHRGHUCKYNOLG-MRXNPFEDSA-N -1 3 311.372 3.993 20 0 DHADHM O=C([O-])CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000315677445 601842239 /nfs/dbraw/zinc/84/22/39/601842239.db2.gz XGZSLSYFLASNKS-UHFFFAOYSA-N -1 3 315.335 3.782 20 0 DHADHM Cc1cccnc1[C@H](NCc1ccc(C(=O)[O-])s1)C(C)C ZINC000832983274 601958058 /nfs/dbraw/zinc/95/80/58/601958058.db2.gz AIJBXJQQEGDNMA-CQSZACIVSA-N -1 3 304.415 3.637 20 0 DHADHM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)s1 ZINC000574763430 601963241 /nfs/dbraw/zinc/96/32/41/601963241.db2.gz SADTYOSHRBIJFD-UHFFFAOYSA-N -1 3 307.337 3.611 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652440624 601970579 /nfs/dbraw/zinc/97/05/79/601970579.db2.gz LDQJOMDJDUEKTP-VXGBXAGGSA-N -1 3 316.426 3.881 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(C2CCCCC2)n1 ZINC000828672499 602221088 /nfs/dbraw/zinc/22/10/88/602221088.db2.gz SOKCBBYTEOONSD-INIZCTEOSA-N -1 3 310.463 3.924 20 0 DHADHM Fc1cccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826376701 607645121 /nfs/dbraw/zinc/64/51/21/607645121.db2.gz OCMGJNNFLDNVIE-UHFFFAOYSA-N -1 3 323.356 3.796 20 0 DHADHM Fc1cccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826376701 607645123 /nfs/dbraw/zinc/64/51/23/607645123.db2.gz OCMGJNNFLDNVIE-UHFFFAOYSA-N -1 3 323.356 3.796 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@@H](Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000832870560 604384030 /nfs/dbraw/zinc/38/40/30/604384030.db2.gz JZALIBHXWGMQAX-DZGCQCFKSA-N -1 3 314.385 3.534 20 0 DHADHM C[C@@H](Oc1ccc(CN(C)[C@H](C)c2cccs2)cc1)C(=O)[O-] ZINC000833537733 604541623 /nfs/dbraw/zinc/54/16/23/604541623.db2.gz OKEKDSYQLRWQFD-CHWSQXEVSA-N -1 3 319.426 3.793 20 0 DHADHM CC1(C)CC[C@@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000828060195 604997155 /nfs/dbraw/zinc/99/71/55/604997155.db2.gz KNDAVLHRCKBEPB-IAGOWNOFSA-N -1 3 310.397 3.610 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000833546278 605047327 /nfs/dbraw/zinc/04/73/27/605047327.db2.gz FBSQIRWMOGOTIK-UKRRQHHQSA-N -1 3 314.385 3.615 20 0 DHADHM CCOc1ccc([C@H](C)NCc2ccsc2C(=O)[O-])cc1 ZINC000833662805 605066873 /nfs/dbraw/zinc/06/68/73/605066873.db2.gz BVZZPPRWXOFHGU-NSHDSACASA-N -1 3 305.399 3.696 20 0 DHADHM CC(C)CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000581553461 605203126 /nfs/dbraw/zinc/20/31/26/605203126.db2.gz QBMASUPUURWHTF-UHFFFAOYSA-N -1 3 314.385 3.660 20 0 DHADHM C[C@@H]1C[C@@H](C)CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000572370634 605203535 /nfs/dbraw/zinc/20/35/35/605203535.db2.gz YVHSXJBNBHGADX-CHWSQXEVSA-N -1 3 314.385 3.518 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000833412874 605384189 /nfs/dbraw/zinc/38/41/89/605384189.db2.gz DIHOQHQSHUAMRV-OAHLLOKOSA-N -1 3 318.804 3.677 20 0 DHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1 ZINC000833606485 605701264 /nfs/dbraw/zinc/70/12/64/605701264.db2.gz QFKPFZAXJOFBHS-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000833606715 605704071 /nfs/dbraw/zinc/70/40/71/605704071.db2.gz URVLOUUABZYHCI-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000833606716 605704090 /nfs/dbraw/zinc/70/40/90/605704090.db2.gz URVLOUUABZYHCI-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCc3ccccc32)c2ccccc21 ZINC000834159478 605790333 /nfs/dbraw/zinc/79/03/33/605790333.db2.gz PTAWASQGCRCXCE-OKZBNKHCSA-N -1 3 308.381 3.717 20 0 DHADHM O=C([O-])N[C@H]1C[C@@H](NC2(c3ccccc3)CC2)c2ccccc21 ZINC000834159264 605808173 /nfs/dbraw/zinc/80/81/73/605808173.db2.gz OOIRUGLMAMPFBY-DLBZAZTESA-N -1 3 308.381 3.719 20 0 DHADHM COc1ccc(CNc2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821821609 606133043 /nfs/dbraw/zinc/13/30/43/606133043.db2.gz NCVSHAZKDNJBKT-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1ccc(CNc2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821821609 606133045 /nfs/dbraw/zinc/13/30/45/606133045.db2.gz NCVSHAZKDNJBKT-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM CC(C)CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820098389 606446286 /nfs/dbraw/zinc/44/62/86/606446286.db2.gz XTCBSQSDTXCSFK-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM CC(C)CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820098389 606446288 /nfs/dbraw/zinc/44/62/88/606446288.db2.gz XTCBSQSDTXCSFK-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM Cc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1Cl ZINC000822324073 606931830 /nfs/dbraw/zinc/93/18/30/606931830.db2.gz UGMRNNCYNJQLFR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1Cl ZINC000822324073 606931831 /nfs/dbraw/zinc/93/18/31/606931831.db2.gz UGMRNNCYNJQLFR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820554928 607014983 /nfs/dbraw/zinc/01/49/83/607014983.db2.gz BROMDLKDCLZQNU-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820554928 607014985 /nfs/dbraw/zinc/01/49/85/607014985.db2.gz BROMDLKDCLZQNU-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H]1CCCC[C@@H]1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000820703387 607015208 /nfs/dbraw/zinc/01/52/08/607015208.db2.gz FIXDELRREGLZAP-WFASDCNBSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@H]1CCCC[C@@H]1OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000820703387 607015209 /nfs/dbraw/zinc/01/52/09/607015209.db2.gz FIXDELRREGLZAP-WFASDCNBSA-N -1 3 318.446 3.554 20 0 DHADHM Cc1cccc(SCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822331265 607039898 /nfs/dbraw/zinc/03/98/98/607039898.db2.gz ANWWZWDRTGMLCG-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(SCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822331265 607039899 /nfs/dbraw/zinc/03/98/99/607039899.db2.gz ANWWZWDRTGMLCG-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CCC(CC)(CC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820882568 607150238 /nfs/dbraw/zinc/15/02/38/607150238.db2.gz UEWWXNXDIPPTSE-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM CCC(CC)(CC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000820882568 607150239 /nfs/dbraw/zinc/15/02/39/607150239.db2.gz UEWWXNXDIPPTSE-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM c1c2ccccc2oc1CSc1ccccc1-c1nnn[n-]1 ZINC000823772703 607170223 /nfs/dbraw/zinc/17/02/23/607170223.db2.gz MBIBWNBNEJSPHJ-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM c1c2ccccc2oc1CSc1ccccc1-c1nn[n-]n1 ZINC000823772703 607170224 /nfs/dbraw/zinc/17/02/24/607170224.db2.gz MBIBWNBNEJSPHJ-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821455375 607234964 /nfs/dbraw/zinc/23/49/64/607234964.db2.gz JWHNTEIIEWLKRZ-CHWSQXEVSA-N -1 3 323.853 3.606 20 0 DHADHM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821455375 607234965 /nfs/dbraw/zinc/23/49/65/607234965.db2.gz JWHNTEIIEWLKRZ-CHWSQXEVSA-N -1 3 323.853 3.606 20 0 DHADHM CCC(CC)[C@@H](C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825095199 608058959 /nfs/dbraw/zinc/05/89/59/608058959.db2.gz FWUBTFIAECNVBW-SECBINFHSA-N -1 3 321.450 3.556 20 0 DHADHM CCC(CC)[C@@H](C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825095199 608058960 /nfs/dbraw/zinc/05/89/60/608058960.db2.gz FWUBTFIAECNVBW-SECBINFHSA-N -1 3 321.450 3.556 20 0 DHADHM CCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000825225732 608159929 /nfs/dbraw/zinc/15/99/29/608159929.db2.gz WWMPTENPULUQFN-NSHDSACASA-N -1 3 321.812 3.531 20 0 DHADHM CCC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000825225732 608159927 /nfs/dbraw/zinc/15/99/27/608159927.db2.gz WWMPTENPULUQFN-NSHDSACASA-N -1 3 321.812 3.531 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825717825 608753963 /nfs/dbraw/zinc/75/39/63/608753963.db2.gz QUOXSZJWSXTOJZ-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825717825 608753965 /nfs/dbraw/zinc/75/39/65/608753965.db2.gz QUOXSZJWSXTOJZ-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1oc2ccccc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000393385781 608870977 /nfs/dbraw/zinc/87/09/77/608870977.db2.gz NCPAWUJBJMRHQN-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1oc2ccccc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000393385781 608870978 /nfs/dbraw/zinc/87/09/78/608870978.db2.gz NCPAWUJBJMRHQN-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM CCCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348375 609162618 /nfs/dbraw/zinc/16/26/18/609162618.db2.gz HWSVYQXPJIXASM-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825348375 609162620 /nfs/dbraw/zinc/16/26/20/609162620.db2.gz HWSVYQXPJIXASM-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCCOc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825341401 609236897 /nfs/dbraw/zinc/23/68/97/609236897.db2.gz CDNAGXWFHYHLGV-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825341401 609236898 /nfs/dbraw/zinc/23/68/98/609236898.db2.gz CDNAGXWFHYHLGV-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826299571 609346925 /nfs/dbraw/zinc/34/69/25/609346925.db2.gz LGBKKOXHOKTPFG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826299571 609346927 /nfs/dbraw/zinc/34/69/27/609346927.db2.gz LGBKKOXHOKTPFG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM c1sc2ccccc2c1NCc1ccccc1-c1nnn[n-]1 ZINC000826519616 609440771 /nfs/dbraw/zinc/44/07/71/609440771.db2.gz GSLPNHAQUXLUFB-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1sc2ccccc2c1NCc1ccccc1-c1nn[n-]n1 ZINC000826519616 609440773 /nfs/dbraw/zinc/44/07/73/609440773.db2.gz GSLPNHAQUXLUFB-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM CCCc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825348403 609475387 /nfs/dbraw/zinc/47/53/87/609475387.db2.gz JAGNAEVLHZHOLR-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCCc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825348403 609475388 /nfs/dbraw/zinc/47/53/88/609475388.db2.gz JAGNAEVLHZHOLR-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM Cc1ccnc(N[C@H]2CC[C@@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826312686 609579227 /nfs/dbraw/zinc/57/92/27/609579227.db2.gz LOYHJNAYUHZUNN-ABAIWWIYSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccnc(N[C@H]2CC[C@@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826312686 609579230 /nfs/dbraw/zinc/57/92/30/609579230.db2.gz LOYHJNAYUHZUNN-ABAIWWIYSA-N -1 3 320.400 3.621 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(F)(F)F ZINC000824756484 946925246 /nfs/dbraw/zinc/92/52/46/946925246.db2.gz OFGWOTRMHWZQSK-YFKPBYRVSA-N -1 3 308.716 3.563 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824756484 946925249 /nfs/dbraw/zinc/92/52/49/946925249.db2.gz OFGWOTRMHWZQSK-YFKPBYRVSA-N -1 3 308.716 3.563 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825735755 947304574 /nfs/dbraw/zinc/30/45/74/947304574.db2.gz UMEGTFGQORXCFK-STQMWFEESA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825735755 947304588 /nfs/dbraw/zinc/30/45/88/947304588.db2.gz UMEGTFGQORXCFK-STQMWFEESA-N -1 3 307.401 3.731 20 0 DHADHM CC(C)CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129729415 948470790 /nfs/dbraw/zinc/47/07/90/948470790.db2.gz XNMPQWXARGIPNX-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM CC(C)CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129729415 948470793 /nfs/dbraw/zinc/47/07/93/948470793.db2.gz XNMPQWXARGIPNX-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM CC(C)(C)N(CCC(=O)[O-])Cc1ccccc1Br ZINC000037597323 948837937 /nfs/dbraw/zinc/83/79/37/948837937.db2.gz FCMNPQYBDYTSDK-UHFFFAOYSA-N -1 3 314.223 3.524 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000336852089 971515294 /nfs/dbraw/zinc/51/52/94/971515294.db2.gz JHWIZHZOHIIYGP-CQSZACIVSA-N -1 3 309.287 3.621 20 0 DHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC[C@H](C)C1 ZINC001576151500 949223806 /nfs/dbraw/zinc/22/38/06/949223806.db2.gz FXTWLQAWIMJSOI-GARJFASQSA-N -1 3 320.828 3.542 20 0 DHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC[C@H](C)C1 ZINC001576151500 949223825 /nfs/dbraw/zinc/22/38/25/949223825.db2.gz FXTWLQAWIMJSOI-GARJFASQSA-N -1 3 320.828 3.542 20 0 DHADHM CCCN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000263424770 950454346 /nfs/dbraw/zinc/45/43/46/950454346.db2.gz QEXFQMWDUHWZNE-UHFFFAOYSA-N -1 3 309.715 3.655 20 0 DHADHM O=C([O-])[C@H]1CN(CCc2ccccc2Cl)Cc2ccccc21 ZINC000652470814 954089135 /nfs/dbraw/zinc/08/91/35/954089135.db2.gz KFVAEMTYJPESCS-INIZCTEOSA-N -1 3 315.800 3.567 20 0 DHADHM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]OCCC(F)(F)F ZINC000777973366 1032063066 /nfs/dbraw/zinc/06/30/66/1032063066.db2.gz QNOFQIUILTWAPQ-UHFFFAOYSA-N -1 3 305.340 3.593 20 0 DHADHM C[C@H]1CN(CCc2c(Cl)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC001589400423 954419487 /nfs/dbraw/zinc/41/94/87/954419487.db2.gz PZAKIQIRGSIPJN-WDEREUQCSA-N -1 3 316.228 3.579 20 0 DHADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2cocn2)c1 ZINC000134903955 1013131011 /nfs/dbraw/zinc/13/10/11/1013131011.db2.gz GMAAMRNNBFQUFJ-UHFFFAOYSA-N -1 3 316.304 3.890 20 0 DHADHM CC(C)Oc1ccccc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603086640 972159345 /nfs/dbraw/zinc/15/93/45/972159345.db2.gz JVNTWHLRZWZWET-IBGZPJMESA-N -1 3 313.397 3.563 20 0 DHADHM CC1(C(=O)[O-])CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001589199235 956627224 /nfs/dbraw/zinc/62/72/24/956627224.db2.gz WPPYTZWBUJDUGM-UHFFFAOYSA-N -1 3 324.833 3.636 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000339960042 1013168366 /nfs/dbraw/zinc/16/83/66/1013168366.db2.gz VZUIIXMTCOGNPG-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000339958682 1013168802 /nfs/dbraw/zinc/16/88/02/1013168802.db2.gz JPPJTKGWBHZWGZ-CYBMUJFWSA-N -1 3 315.756 3.744 20 0 DHADHM Cc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC001594382287 958645841 /nfs/dbraw/zinc/64/58/41/958645841.db2.gz YGIKAZFKEDVZGR-QGZVFWFLSA-N -1 3 312.344 3.531 20 0 DHADHM CSCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001574257643 960547661 /nfs/dbraw/zinc/54/76/61/960547661.db2.gz SUVUXHNLJGIECA-MRXNPFEDSA-N -1 3 319.401 3.604 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252607903 961282193 /nfs/dbraw/zinc/28/21/93/961282193.db2.gz RTGVEGJDHKAWPV-KKZNHRDASA-N -1 3 302.201 3.849 20 0 DHADHM Cc1ncsc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000048641541 1013260620 /nfs/dbraw/zinc/26/06/20/1013260620.db2.gz UQMSGGQLLPVPKU-UHFFFAOYSA-N -1 3 308.432 3.603 20 0 DHADHM O=C([O-])C1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000263409812 962575927 /nfs/dbraw/zinc/57/59/27/962575927.db2.gz LBEFRYXNAOAIQS-UHFFFAOYSA-N -1 3 316.228 3.723 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263414579 962583301 /nfs/dbraw/zinc/58/33/01/962583301.db2.gz MSEDFQOJQOWRFW-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263415017 962583495 /nfs/dbraw/zinc/58/34/95/962583495.db2.gz MWIMEPJCERWOHO-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@H](CN(C)Cc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000263514423 962695869 /nfs/dbraw/zinc/69/58/69/962695869.db2.gz OGRQYIWHGOJSIC-MRVPVSSYSA-N -1 3 309.715 3.511 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(SC(F)F)cc1 ZINC000155372099 1013386919 /nfs/dbraw/zinc/38/69/19/1013386919.db2.gz QYKGYJXXQVQYAW-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(SC(F)F)cc1 ZINC000155372099 1013386924 /nfs/dbraw/zinc/38/69/24/1013386924.db2.gz QYKGYJXXQVQYAW-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000340332014 1013500641 /nfs/dbraw/zinc/50/06/41/1013500641.db2.gz YBQGXTFIIPXNNP-UHFFFAOYSA-N -1 3 303.264 3.977 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 ZINC000616493611 1013976435 /nfs/dbraw/zinc/97/64/35/1013976435.db2.gz QKLGIGWLMJDTEP-MRXNPFEDSA-N -1 3 317.454 3.931 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000155709963 1014099718 /nfs/dbraw/zinc/09/97/18/1014099718.db2.gz OCWAHSAIEOGEJC-MRXNPFEDSA-N -1 3 320.389 3.588 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000155709963 1014099720 /nfs/dbraw/zinc/09/97/20/1014099720.db2.gz OCWAHSAIEOGEJC-MRXNPFEDSA-N -1 3 320.389 3.588 20 0 DHADHM COc1ccc(F)cc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417590470 973964304 /nfs/dbraw/zinc/96/43/04/973964304.db2.gz BQTARCAGNOSQFJ-INIZCTEOSA-N -1 3 317.360 3.530 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@H](Oc3ccccc3)C2)oc1C(=O)[O-] ZINC000518990427 974326541 /nfs/dbraw/zinc/32/65/41/974326541.db2.gz GKLOAPMDRYHWLG-HIFRSBDPSA-N -1 3 315.369 3.501 20 0 DHADHM CCc1cccnc1[C@H](C)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603976583 974475068 /nfs/dbraw/zinc/47/50/68/974475068.db2.gz PIBHKADFOLYTQD-JCURWCKSSA-N -1 3 310.397 3.608 20 0 DHADHM CCCCO[C@H]1C[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(C)C ZINC000566803004 974622136 /nfs/dbraw/zinc/62/21/36/974622136.db2.gz QXLMXVIWUHIPQG-GJZGRUSLSA-N -1 3 323.433 3.702 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(c2ccsc2)CC1 ZINC000567117005 974627606 /nfs/dbraw/zinc/62/76/06/974627606.db2.gz SIKHYMDKZWOMCV-NSHDSACASA-N -1 3 305.399 3.980 20 0 DHADHM C[C@@]1(CCc2ccccc2)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000570403773 974710866 /nfs/dbraw/zinc/71/08/66/974710866.db2.gz UORSHNIIMWJNNN-LJQANCHMSA-N -1 3 313.397 3.823 20 0 DHADHM CC[C@@H]1CCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000576472761 974815415 /nfs/dbraw/zinc/81/54/15/974815415.db2.gz JHINVXYIYIHJDO-MRXNPFEDSA-N -1 3 314.385 3.804 20 0 DHADHM C[C@H](CN(C)Cc1c(Cl)cccc1C(=O)[O-])c1nccs1 ZINC000581613004 974913026 /nfs/dbraw/zinc/91/30/26/974913026.db2.gz NXPMDJPUZRHBFD-SNVBAGLBSA-N -1 3 324.833 3.730 20 0 DHADHM CC[C@H](CC(F)F)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629366955 975085249 /nfs/dbraw/zinc/08/52/49/975085249.db2.gz BBNUJHGEGPULQD-SNVBAGLBSA-N -1 3 315.335 3.563 20 0 DHADHM CC[C@H](C)NC(=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000280813023 1014242882 /nfs/dbraw/zinc/24/28/82/1014242882.db2.gz UMEZXDXKYFYGSU-LBPRGKRZSA-N -1 3 316.376 3.672 20 0 DHADHM O=C([O-])c1coc(CN2CCCC[C@H]2Cc2ccccc2F)c1 ZINC000652507840 975568924 /nfs/dbraw/zinc/56/89/24/975568924.db2.gz OVSSYWOGAJOONK-HNNXBMFYSA-N -1 3 317.360 3.714 20 0 DHADHM Cc1cc([C@H](C)N2CCC(c3ccco3)CC2)oc1C(=O)[O-] ZINC000656756164 975684709 /nfs/dbraw/zinc/68/47/09/975684709.db2.gz BUTYCQHATFZYSR-LBPRGKRZSA-N -1 3 303.358 3.820 20 0 DHADHM Cc1cc([C@@H](C)N2CCC([C@H]3CCCCO3)CC2)oc1C(=O)[O-] ZINC000656770093 975705402 /nfs/dbraw/zinc/70/54/02/975705402.db2.gz XJHPPZQUHVUSNC-UKRRQHHQSA-N -1 3 321.417 3.628 20 0 DHADHM CC(C)Oc1cccc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591796133 976007236 /nfs/dbraw/zinc/00/72/36/976007236.db2.gz AXUPYNMVELFWQV-UHFFFAOYSA-N -1 3 317.360 3.601 20 0 DHADHM CCc1oc2ccccc2c1CNCc1cccc(C(=O)[O-])c1 ZINC000683176498 976080402 /nfs/dbraw/zinc/08/04/02/976080402.db2.gz KVJCYCXHSLYHRG-UHFFFAOYSA-N -1 3 309.365 3.983 20 0 DHADHM CC(C)c1[nH]c(CN[C@H]2CCc3c2cccc3F)cc1C(=O)[O-] ZINC001591918749 976386438 /nfs/dbraw/zinc/38/64/38/976386438.db2.gz XDAMBFWWYYBTHO-INIZCTEOSA-N -1 3 316.376 3.753 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1csc(C2CCCC2)n1)C1CC1 ZINC001592330064 977764422 /nfs/dbraw/zinc/76/44/22/977764422.db2.gz QBKCEGATDCGAQS-MRXNPFEDSA-N -1 3 308.447 3.534 20 0 DHADHM C[C@@H](COc1ccccc1)NCc1cc(C(=O)[O-])ccc1Cl ZINC001592782049 979416638 /nfs/dbraw/zinc/41/66/38/979416638.db2.gz BNKMTALKWKRYCR-LBPRGKRZSA-N -1 3 319.788 3.595 20 0 DHADHM O=C([O-])Cc1ccccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000846242171 979419827 /nfs/dbraw/zinc/41/98/27/979419827.db2.gz WZCSXYKTLHQFGP-SFHVURJKSA-N -1 3 313.372 3.790 20 0 DHADHM C[C@@H](CSC(C)(C)C)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592823123 979533055 /nfs/dbraw/zinc/53/30/55/979533055.db2.gz XZBKEFGSUJAHBA-NSHDSACASA-N -1 3 322.474 3.667 20 0 DHADHM C[C@H](Cc1ccsc1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001592906099 979842194 /nfs/dbraw/zinc/84/21/94/979842194.db2.gz KPYIFFJOBQNCCS-FOQNGQEVSA-N -1 3 305.399 3.502 20 0 DHADHM CCn1c(C(=O)Nc2cccc(C(C)=O)c2[O-])cc2ccccc21 ZINC000581182079 1014607279 /nfs/dbraw/zinc/60/72/79/1014607279.db2.gz NWXFZVVVEAWPAV-UHFFFAOYSA-N -1 3 322.364 3.822 20 0 DHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000146230685 1014617687 /nfs/dbraw/zinc/61/76/87/1014617687.db2.gz JNQWWMQGBBNFHA-UHFFFAOYSA-N -1 3 319.426 3.881 20 0 DHADHM CCc1c(C(=O)Nc2cccc([O-])c2F)cnn1C(CC)CC ZINC000581226038 1014625737 /nfs/dbraw/zinc/62/57/37/1014625737.db2.gz QPRPCJVNRGNSQY-UHFFFAOYSA-N -1 3 319.380 3.904 20 0 DHADHM CCC[C@H](C)CCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872167188 980065705 /nfs/dbraw/zinc/06/57/05/980065705.db2.gz FMWOCDCEEKACFL-AWEZNQCLSA-N -1 3 319.445 3.968 20 0 DHADHM CC[C@@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000901629142 980412360 /nfs/dbraw/zinc/41/23/60/980412360.db2.gz XCKSFILZZQMWSO-HNAYVOBHSA-N -1 3 309.409 3.864 20 0 DHADHM CC[C@@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(Cl)s1 ZINC001595298835 980421841 /nfs/dbraw/zinc/42/18/41/980421841.db2.gz VNVXWZUXRFDEJI-LLVKDONJSA-N -1 3 312.822 3.977 20 0 DHADHM CC[C@](NCc1cncc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304217 980438358 /nfs/dbraw/zinc/43/83/58/980438358.db2.gz BNPPQVSSNUTSSI-QGZVFWFLSA-N -1 3 318.804 3.523 20 0 DHADHM C[C@H](CCc1ccccc1F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901909601 980622383 /nfs/dbraw/zinc/62/23/83/980622383.db2.gz DHSFCXWHKPZLQZ-MNOVXSKESA-N -1 3 322.405 3.652 20 0 DHADHM C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901911327 980624025 /nfs/dbraw/zinc/62/40/25/980624025.db2.gz JQMRALVTICESNH-UBHSHLNASA-N -1 3 316.426 3.828 20 0 DHADHM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000901911467 980624063 /nfs/dbraw/zinc/62/40/63/980624063.db2.gz LMOKGDYOKVVILF-UWVGGRQHSA-N -1 3 324.833 3.949 20 0 DHADHM C[C@H](NC1CC(c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901913152 980625261 /nfs/dbraw/zinc/62/52/61/980625261.db2.gz WTUWJJLTQNKJRZ-FJJSSXBZSA-N -1 3 320.389 3.577 20 0 DHADHM Cc1cc(C)c(/C=C\CN2CCSC[C@@H]2CC(=O)[O-])c(C)c1 ZINC000901981819 980660435 /nfs/dbraw/zinc/66/04/35/980660435.db2.gz JAQWANGOUUUBRX-AWFCHZOYSA-N -1 3 319.470 3.517 20 0 DHADHM C[C@]1(CCc2ccccc2)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000902351400 980846051 /nfs/dbraw/zinc/84/60/51/980846051.db2.gz ZGXPJRJOLTZBGA-FQEVSTJZSA-N -1 3 324.424 3.625 20 0 DHADHM CC(C)c1cccc(CNCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000902356339 980849830 /nfs/dbraw/zinc/84/98/30/980849830.db2.gz VBTIVKQZPDBCON-UHFFFAOYSA-N -1 3 313.397 3.563 20 0 DHADHM COc1ccc(C(C)(C)NCc2csc(C(=O)[O-])c2)cc1F ZINC000902359144 980852290 /nfs/dbraw/zinc/85/22/90/980852290.db2.gz NCJXVOGFLKALNZ-UHFFFAOYSA-N -1 3 323.389 3.619 20 0 DHADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000903594086 980977764 /nfs/dbraw/zinc/97/77/64/980977764.db2.gz CPJOSLYNNSSWOJ-OTYXRUKQSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@H]1CCC[C@H](CCN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC000903958864 981076520 /nfs/dbraw/zinc/07/65/20/981076520.db2.gz PPXJCAUKWGJGRR-LSDHHAIUSA-N -1 3 317.429 3.796 20 0 DHADHM Cc1ccccc1[C@H](NCc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000905726799 981125827 /nfs/dbraw/zinc/12/58/27/981125827.db2.gz ZRAHBAUWONYTNV-KRWDZBQOSA-N -1 3 312.413 3.965 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)c([O-])c1 ZINC000276166541 1014771517 /nfs/dbraw/zinc/77/15/17/1014771517.db2.gz KRACEUCSQNOBNO-GOSISDBHSA-N -1 3 317.429 3.547 20 0 DHADHM CCC(C)(C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594804974 981904554 /nfs/dbraw/zinc/90/45/54/981904554.db2.gz NZQUVEMHHFLVQJ-UHFFFAOYSA-N -1 3 302.374 3.660 20 0 DHADHM CC[C@@](C)(NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(F)cc1 ZINC001594852280 982093759 /nfs/dbraw/zinc/09/37/59/982093759.db2.gz IKNBBKKQJFZFDD-QGZVFWFLSA-N -1 3 304.365 3.575 20 0 DHADHM CCCCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C(=O)[O-])o2)C1(C)C ZINC001595771134 982518650 /nfs/dbraw/zinc/51/86/50/982518650.db2.gz VRLBHVGZMRGJQD-TUKIKUTGSA-N -1 3 309.406 3.612 20 0 DHADHM CC(C)Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000656567368 1014864744 /nfs/dbraw/zinc/86/47/44/1014864744.db2.gz OYGNRTIUSVPKSH-GOSISDBHSA-N -1 3 312.413 3.586 20 0 DHADHM CCCN(CCc1cccs1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595883861 982903947 /nfs/dbraw/zinc/90/39/47/982903947.db2.gz DPEUUCNSKUKACX-LLVKDONJSA-N -1 3 324.471 3.919 20 0 DHADHM CCN(Cc1csc(C(=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC001596378668 983898488 /nfs/dbraw/zinc/89/84/88/983898488.db2.gz YZLPUNMGJXXGEW-NSHDSACASA-N -1 3 305.399 3.735 20 0 DHADHM O=c1cc(O[C@H](c2ccccc2)C(Cl)(Cl)Cl)nc[n-]1 ZINC001226944880 1015061109 /nfs/dbraw/zinc/06/11/09/1015061109.db2.gz KXHRBYJIOOMASP-LLVKDONJSA-N -1 3 319.575 3.673 20 0 DHADHM CN(Cc1nc(C(=O)[O-])cs1)C1CC(C)(C)CC(C)(C)C1 ZINC000656761915 1015132863 /nfs/dbraw/zinc/13/28/63/1015132863.db2.gz WVDMOWDOTPGCSU-UHFFFAOYSA-N -1 3 310.463 3.878 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CC[C@@H]4C[C@@H]43)nc2)n1 ZINC000895427688 1015142361 /nfs/dbraw/zinc/14/23/61/1015142361.db2.gz DDRONCVRRHOCEK-WOSRLPQWSA-N -1 3 324.428 3.655 20 0 DHADHM CCSc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001597272773 987324465 /nfs/dbraw/zinc/32/44/65/987324465.db2.gz MRMDQFRTGZWUER-GFCCVEGCSA-N -1 3 318.442 3.686 20 0 DHADHM CCSc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597277368 987335072 /nfs/dbraw/zinc/33/50/72/987335072.db2.gz NOTHOVKXWJJTMO-MRXNPFEDSA-N -1 3 319.401 3.853 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cc2cccnc2o1)c1ccccc1 ZINC001589600984 987424918 /nfs/dbraw/zinc/42/49/18/987424918.db2.gz CYSFCRJMYOWGGW-INIZCTEOSA-N -1 3 324.380 3.770 20 0 DHADHM CCc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])c(C)c1)C2 ZINC001597569158 988331067 /nfs/dbraw/zinc/33/10/67/988331067.db2.gz LWQPLZKQMCMZFU-UHFFFAOYSA-N -1 3 309.409 3.814 20 0 DHADHM CSc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599823823 988561437 /nfs/dbraw/zinc/56/14/37/988561437.db2.gz GLIVCRGYJFOBIY-INIZCTEOSA-N -1 3 319.401 3.772 20 0 DHADHM CC(C)Cc1csc2[n-]c(COc3ccccc3)nc(=O)c12 ZINC000054752710 1015439169 /nfs/dbraw/zinc/43/91/69/1015439169.db2.gz GVEUPRBQXWZLKO-UHFFFAOYSA-N -1 3 314.410 3.762 20 0 DHADHM CCc1oc(CN(C)[C@@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC001597792892 989335175 /nfs/dbraw/zinc/33/51/75/989335175.db2.gz KRZZCFBJTDHUBH-NSHDSACASA-N -1 3 307.415 3.665 20 0 DHADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CCc2ccc(Cl)cc21 ZINC000650520784 1015473900 /nfs/dbraw/zinc/47/39/00/1015473900.db2.gz LOTLZZNLVXSNBM-GFCCVEGCSA-N -1 3 315.800 3.848 20 0 DHADHM CC1(C)CC[C@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000840525102 1015565547 /nfs/dbraw/zinc/56/55/47/1015565547.db2.gz WOBVJWQRLZQLGT-LBPRGKRZSA-N -1 3 304.367 3.521 20 0 DHADHM CC(C)[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001591031317 991341021 /nfs/dbraw/zinc/34/10/21/991341021.db2.gz ZFTRSZQEEROXKG-MRXNPFEDSA-N -1 3 318.804 3.920 20 0 DHADHM COC(=O)c1oc2cccc(Cl)c2c1[N-]c1conc1C ZINC001212719569 1033652308 /nfs/dbraw/zinc/65/23/08/1033652308.db2.gz USSGHIYUXVMNJN-UHFFFAOYSA-N -1 3 306.705 3.913 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc([O-])c1F ZINC000535659724 1015707495 /nfs/dbraw/zinc/70/74/95/1015707495.db2.gz UHIZHFZSJVEASL-JMSVASOKSA-N -1 3 309.381 3.844 20 0 DHADHM CC(C)Cc1ccccc1CNCc1csc(C(=O)[O-])c1 ZINC001591491086 992627897 /nfs/dbraw/zinc/62/78/97/992627897.db2.gz YBOFULGYMFNHAM-UHFFFAOYSA-N -1 3 303.427 3.935 20 0 DHADHM CC(C)Oc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276948319 1015767664 /nfs/dbraw/zinc/76/76/64/1015767664.db2.gz DMXQNRXBAAVVRC-MRXNPFEDSA-N -1 3 319.426 3.841 20 0 DHADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC001593195821 994150546 /nfs/dbraw/zinc/15/05/46/994150546.db2.gz FZGAUEJWYLUMDY-KVFJLYFUSA-N -1 3 315.369 3.582 20 0 DHADHM CCc1oc2ccccc2c1CNCc1ccccc1CC(=O)[O-] ZINC000276988314 1015838697 /nfs/dbraw/zinc/83/86/97/1015838697.db2.gz JIERXXLZIZFRGS-UHFFFAOYSA-N -1 3 323.392 3.912 20 0 DHADHM Cc1ccc(F)c(C(=O)[N-]c2nnc(CC(C)C)s2)c1F ZINC000346378751 1015840055 /nfs/dbraw/zinc/84/00/55/1015840055.db2.gz RVNXYQWSDUBFAZ-UHFFFAOYSA-N -1 3 311.357 3.576 20 0 DHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncccc1[O-] ZINC000341902987 1015841229 /nfs/dbraw/zinc/84/12/29/1015841229.db2.gz PWGIIQBWRZBLLY-SNVBAGLBSA-N -1 3 324.302 3.623 20 0 DHADHM C[C@H](NC(C1CCCC1)C1CCCC1)c1nc(C(=O)[O-])co1 ZINC001593204754 994206552 /nfs/dbraw/zinc/20/65/52/994206552.db2.gz VVQFETCZEVWIJA-NSHDSACASA-N -1 3 306.406 3.772 20 0 DHADHM C[C@H](NCC(C)(C)Cc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593241094 994434536 /nfs/dbraw/zinc/43/45/36/994434536.db2.gz VQMJKRCSAHBPSM-LBPRGKRZSA-N -1 3 318.442 3.761 20 0 DHADHM C[C@@H](NCC1(Sc2ccccc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593252127 994502840 /nfs/dbraw/zinc/50/28/40/994502840.db2.gz OMXNMDAYYNBZTR-GFCCVEGCSA-N -1 3 317.410 3.953 20 0 DHADHM C[C@@H](NCCC1CCC(F)(F)CC1)c1ncc(C(=O)[O-])s1 ZINC001593265177 994570570 /nfs/dbraw/zinc/57/05/70/994570570.db2.gz QQQABDVFKDLTOQ-SECBINFHSA-N -1 3 318.389 3.708 20 0 DHADHM C[C@@H](NCCSCc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593271336 994603148 /nfs/dbraw/zinc/60/31/48/994603148.db2.gz HNEGQSIPQXSTGF-LLVKDONJSA-N -1 3 323.389 3.701 20 0 DHADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593289410 994663892 /nfs/dbraw/zinc/66/38/92/994663892.db2.gz SHNHZNFUSRBHEP-SECBINFHSA-N -1 3 312.291 3.583 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c([O-])c1 ZINC000458254048 1015888375 /nfs/dbraw/zinc/88/83/75/1015888375.db2.gz UTPPBCDCVZPGRT-CYBMUJFWSA-N -1 3 301.361 3.543 20 0 DHADHM C[C@H](N[C@H]1CCCc2cccnc21)c1cc(C(=O)[O-])cs1 ZINC001593357713 995011735 /nfs/dbraw/zinc/01/17/35/995011735.db2.gz XDGMCKVHAOULAG-GWCFXTLKSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC001593644343 995960551 /nfs/dbraw/zinc/96/05/51/995960551.db2.gz IBQOJYGPVXWPMH-JYJNAYRXSA-N -1 3 317.429 3.551 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(O)cc2)CC1 ZINC001593685671 996117833 /nfs/dbraw/zinc/11/78/33/996117833.db2.gz DIFFFQYFAUJJDF-GFCCVEGCSA-N -1 3 313.353 3.534 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1[O-] ZINC000150945182 1016008390 /nfs/dbraw/zinc/00/83/90/1016008390.db2.gz QRBYQPXCXDMCCQ-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC1(C)C[C@H](c2ccccc2)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001593863787 996664464 /nfs/dbraw/zinc/66/44/64/996664464.db2.gz MZIYGFILHSDCQH-QGZVFWFLSA-N -1 3 310.397 3.753 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN1CC=C(C(C)(C)C)CC1 ZINC001599499192 997081637 /nfs/dbraw/zinc/08/16/37/997081637.db2.gz VVGJFYLQLVWRBQ-UHFFFAOYSA-N -1 3 303.402 3.572 20 0 DHADHM O=C(NCCCOC1CCCCC1)c1cc([O-])ccc1Cl ZINC000277261504 1016118652 /nfs/dbraw/zinc/11/86/52/1016118652.db2.gz APAUXUDGSNNCDK-UHFFFAOYSA-N -1 3 311.809 3.515 20 0 DHADHM CC(C)c1nc(CCNC(=O)c2cc([O-])ccc2Cl)cs1 ZINC000277313450 1016188968 /nfs/dbraw/zinc/18/89/68/1016188968.db2.gz BTDMOZYDVASGOA-UHFFFAOYSA-N -1 3 324.833 3.598 20 0 DHADHM CC(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622542457 1016454849 /nfs/dbraw/zinc/45/48/49/1016454849.db2.gz CKHXFDDHPGIMTA-LLVKDONJSA-N -1 3 315.335 3.919 20 0 DHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000277518950 1016519064 /nfs/dbraw/zinc/51/90/64/1016519064.db2.gz YPIJEXYKOXQYRU-GFCCVEGCSA-N -1 3 324.471 3.851 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cc1C ZINC000622671473 1016519557 /nfs/dbraw/zinc/51/95/57/1016519557.db2.gz OTXYPDZZOWWCER-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM Cc1ncc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000346799116 1016551853 /nfs/dbraw/zinc/55/18/53/1016551853.db2.gz QFNVQLSCFLUVMI-LBPRGKRZSA-N -1 3 309.369 3.601 20 0 DHADHM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000622747496 1016557859 /nfs/dbraw/zinc/55/78/59/1016557859.db2.gz HDYJLZASGJLCTN-NSHDSACASA-N -1 3 321.779 3.854 20 0 DHADHM CCN(C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000172109307 1016643254 /nfs/dbraw/zinc/64/32/54/1016643254.db2.gz JECDFSDEZCGIDH-OAHLLOKOSA-N -1 3 318.804 3.677 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000045061519 1016660595 /nfs/dbraw/zinc/66/05/95/1016660595.db2.gz QPYICEXSVDBYBK-OLZOCXBDSA-N -1 3 301.308 3.603 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cscn2)c([O-])c1 ZINC000617822662 1016729990 /nfs/dbraw/zinc/72/99/90/1016729990.db2.gz RDDUXPOKCPMVIV-NSHDSACASA-N -1 3 320.414 3.519 20 0 DHADHM O=C(N[C@@H](C(F)F)C1CCCCC1)c1cc([O-])ccc1Cl ZINC000623046204 1016853467 /nfs/dbraw/zinc/85/34/67/1016853467.db2.gz LZSLVIKBUXQULZ-CYBMUJFWSA-N -1 3 317.763 3.989 20 0 DHADHM Cc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176434537 1016965773 /nfs/dbraw/zinc/96/57/73/1016965773.db2.gz RFJCGSOAWJUPPA-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)o1 ZINC001146543047 1032228095 /nfs/dbraw/zinc/22/80/95/1032228095.db2.gz NRJDYIYOGIGJRN-ABAIWWIYSA-N -1 3 303.333 3.585 20 0 DHADHM [O-]c1ccc(Br)c(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001238305932 1017071452 /nfs/dbraw/zinc/07/14/52/1017071452.db2.gz SKLLORLXBRQSDW-NXEZZACHSA-N -1 3 314.198 3.526 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001147528945 1032322931 /nfs/dbraw/zinc/32/29/31/1032322931.db2.gz GIXQEJKGWXMMMD-ZDUSSCGKSA-N -1 3 303.324 3.661 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)c([O-])c1 ZINC001148201495 1032375757 /nfs/dbraw/zinc/37/57/57/1032375757.db2.gz IIJBPUUWYBUBRV-HNNXBMFYSA-N -1 3 319.307 3.739 20 0 DHADHM COc1cccc(C(=O)Nc2ccccc2-c2ccncc2)c1[O-] ZINC001148203034 1032377926 /nfs/dbraw/zinc/37/79/26/1032377926.db2.gz XMUIDYQOFJVPRL-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)CCCC2 ZINC000235208089 1032379900 /nfs/dbraw/zinc/37/99/00/1032379900.db2.gz IKHNZHAMJGNGLB-SECBINFHSA-N -1 3 303.299 3.643 20 0 DHADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])cc2cccnc21 ZINC001148500740 1032409459 /nfs/dbraw/zinc/40/94/59/1032409459.db2.gz UXNQGODDJDIGQQ-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1cccc([O-])c1C(=O)NCc1ccccc1CC(C)C ZINC001148579730 1032420340 /nfs/dbraw/zinc/42/03/40/1032420340.db2.gz NYVGERCYDLQSRQ-UHFFFAOYSA-N -1 3 313.397 3.529 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H](C)c2cc(C)cc(C)c2)ccc1[O-] ZINC001148671313 1032431552 /nfs/dbraw/zinc/43/15/52/1032431552.db2.gz SCKYATCSBYEITB-CYBMUJFWSA-N -1 3 311.381 3.703 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cccc3c(C)c(C)[nH]c32)ccc1[O-] ZINC001148664881 1032432518 /nfs/dbraw/zinc/43/25/18/1032432518.db2.gz TYPRCHXBPFADCW-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000121467445 1032447717 /nfs/dbraw/zinc/44/77/17/1032447717.db2.gz XCKIBJFTXLZTAC-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000476579992 1032451731 /nfs/dbraw/zinc/45/17/31/1032451731.db2.gz WHMMCPXFQADQOP-HZSPNIEDSA-N -1 3 307.409 3.747 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000060104450 1032487434 /nfs/dbraw/zinc/48/74/34/1032487434.db2.gz CCMHVFDFAIGQAY-UHFFFAOYSA-N -1 3 311.381 3.880 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000537643420 1032567719 /nfs/dbraw/zinc/56/77/19/1032567719.db2.gz ANWUANBVNQHNEP-QGZVFWFLSA-N -1 3 309.409 3.802 20 0 DHADHM Cc1cc(NC(=O)c2cccc3n[n-]nc32)cc(C(F)(F)F)c1 ZINC000683137765 1012087693 /nfs/dbraw/zinc/08/76/93/1012087693.db2.gz AWRWIXMEGBHQEA-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM COc1nscc1[N-]C(=O)c1cc(Cl)sc1Cl ZINC001153900052 1032618847 /nfs/dbraw/zinc/61/88/47/1032618847.db2.gz YGKYFTLNLDVOLJ-UHFFFAOYSA-N -1 3 309.199 3.772 20 0 DHADHM Cn1ccc(-c2nc(=O)c3c(C4CCCCC4)csc3[n-]2)n1 ZINC000887316775 1032622451 /nfs/dbraw/zinc/62/24/51/1032622451.db2.gz ZBMXHLJLYITXTF-UHFFFAOYSA-N -1 3 314.414 3.845 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC(C)(C)C3)n[n-]2)o1 ZINC000339691881 1012775682 /nfs/dbraw/zinc/77/56/82/1012775682.db2.gz ORSGXEFNOVFFGO-LLVKDONJSA-N -1 3 302.378 3.528 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000232782946 1012947986 /nfs/dbraw/zinc/94/79/86/1012947986.db2.gz DMZKLLGVWSCUTC-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2ccccc2)cc1F ZINC000475332095 1017147558 /nfs/dbraw/zinc/14/75/58/1017147558.db2.gz FXWMIPFKKCTOLK-UHFFFAOYSA-N -1 3 308.356 3.883 20 0 DHADHM O=C(COc1cccc2ccccc21)Nc1cccc([O-])c1F ZINC000179152584 1017217359 /nfs/dbraw/zinc/21/73/59/1017217359.db2.gz JTABRPDEHUPREM-UHFFFAOYSA-N -1 3 311.312 3.702 20 0 DHADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000179197069 1017223076 /nfs/dbraw/zinc/22/30/76/1017223076.db2.gz GLPPRGKJMWIEML-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2oc(SC)cc2C)s1 ZINC000666968166 1032691573 /nfs/dbraw/zinc/69/15/73/1032691573.db2.gz CBQZGFWHEBPANU-UHFFFAOYSA-N -1 3 311.432 3.756 20 0 DHADHM CSc1nsc([N-]C(=O)c2oc3ccc(F)cc3c2C)n1 ZINC000078332713 1017596749 /nfs/dbraw/zinc/59/67/49/1017596749.db2.gz WXPYJJBMVBIKTM-UHFFFAOYSA-N -1 3 323.374 3.706 20 0 DHADHM [O-]c1c(F)cc(Nc2ccnc(F)c2Br)cc1F ZINC001213375137 1017744843 /nfs/dbraw/zinc/74/48/43/1017744843.db2.gz RDMLQHJFPBQBCQ-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000625719126 1017790378 /nfs/dbraw/zinc/79/03/78/1017790378.db2.gz DOPGNNVQSIRVBR-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1OC(F)(F)F ZINC000181912397 1017829997 /nfs/dbraw/zinc/82/99/97/1017829997.db2.gz RUBSGXSRHMHMRC-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000674256703 1017902361 /nfs/dbraw/zinc/90/23/61/1017902361.db2.gz OOFICOMMZQFFOA-UHFFFAOYSA-N -1 3 302.330 3.941 20 0 DHADHM CC(C)[C@H](C)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000079083259 1017923993 /nfs/dbraw/zinc/92/39/93/1017923993.db2.gz DBEWEKJCVUDPGK-JTQLQIEISA-N -1 3 302.399 3.947 20 0 DHADHM CCOc1cc(Cl)ccc1C(=O)Nc1cccc([O-])c1F ZINC000182841251 1017958976 /nfs/dbraw/zinc/95/89/76/1017958976.db2.gz ADUXEZVGWDOYIN-UHFFFAOYSA-N -1 3 309.724 3.836 20 0 DHADHM O=C(C[C@H]1CCCc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000172416966 1018047252 /nfs/dbraw/zinc/04/72/52/1018047252.db2.gz OPRGXCKZYHYBOX-OAHLLOKOSA-N -1 3 313.372 3.658 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001212526621 1018220577 /nfs/dbraw/zinc/22/05/77/1018220577.db2.gz OZHKKIKPURDTAD-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000263674127 1032751188 /nfs/dbraw/zinc/75/11/88/1032751188.db2.gz MYUKZNDQBKPJMK-UHFFFAOYSA-N -1 3 311.357 3.972 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1F ZINC000675068034 1018238462 /nfs/dbraw/zinc/23/84/62/1018238462.db2.gz ABOCRRDUJYBMFB-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM CCOc1cc(Nc2ncc(Cl)cc2[O-])c(F)cc1F ZINC001212529559 1018258875 /nfs/dbraw/zinc/25/88/75/1018258875.db2.gz HMEHMGZORYWQMV-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2ccc(C(C)C)cc2)n1 ZINC000675183275 1018293163 /nfs/dbraw/zinc/29/31/63/1018293163.db2.gz VLMJVVUMJZTGGE-UHFFFAOYSA-N -1 3 313.445 3.893 20 0 DHADHM C[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC[C@@]1(C)O ZINC001142105769 1018313536 /nfs/dbraw/zinc/31/35/36/1018313536.db2.gz MOHBHQORCIUIQP-ZUZCIYMTSA-N -1 3 318.244 3.682 20 0 DHADHM CC1(C)CN(Cc2c(Cl)cc([O-])cc2Cl)CCCO1 ZINC001142114371 1018359264 /nfs/dbraw/zinc/35/92/64/1018359264.db2.gz FMNXAVHLESAPLA-UHFFFAOYSA-N -1 3 304.217 3.700 20 0 DHADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccccc1F ZINC000874909771 1032759553 /nfs/dbraw/zinc/75/95/53/1032759553.db2.gz DUMUDOFUCNOLBV-HNNXBMFYSA-N -1 3 315.344 3.525 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2oc3ccccc3c2Br)S1 ZINC000874929477 1032763710 /nfs/dbraw/zinc/76/37/10/1032763710.db2.gz DWLLNKCHDZXDII-UITAMQMPSA-N -1 3 324.155 3.519 20 0 DHADHM Cc1nc(Br)ccc1Nc1ncc(Cl)cc1[O-] ZINC001212562296 1018480049 /nfs/dbraw/zinc/48/00/49/1018480049.db2.gz MDDLIWOSCOCVKQ-UHFFFAOYSA-N -1 3 314.570 3.650 20 0 DHADHM CC(C)c1ncc(C(=O)[N-]c2nnc(-c3ccco3)s2)s1 ZINC000448149325 1018545900 /nfs/dbraw/zinc/54/59/00/1018545900.db2.gz VMXZATIIMVTWTE-UHFFFAOYSA-N -1 3 320.399 3.630 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccsc2)c1 ZINC000092225916 1018595057 /nfs/dbraw/zinc/59/50/57/1018595057.db2.gz KBTDWARVYKEXHO-GFCCVEGCSA-N -1 3 303.427 3.719 20 0 DHADHM c1cn(C2CCCC2)nc1C[N-]c1nc(-c2ccccc2)no1 ZINC000676314521 1018705363 /nfs/dbraw/zinc/70/53/63/1018705363.db2.gz CSBAHLOOHUSRID-UHFFFAOYSA-N -1 3 309.373 3.660 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000354437412 1018789964 /nfs/dbraw/zinc/78/99/64/1018789964.db2.gz ABXHEHNQDWZYJO-CQSZACIVSA-N -1 3 312.394 3.883 20 0 DHADHM COC(=O)c1cnc(SCC2CCC(C(F)(F)F)CC2)[n-]1 ZINC000278609420 1018923974 /nfs/dbraw/zinc/92/39/74/1018923974.db2.gz IQFVOEGHALKEFI-UHFFFAOYSA-N -1 3 322.352 3.657 20 0 DHADHM CC(C)c1nnc([N-]c2cc(F)c(OC(F)F)c(F)c2)o1 ZINC001212443765 1018957695 /nfs/dbraw/zinc/95/76/95/1018957695.db2.gz 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/nfs/dbraw/zinc/10/28/19/1019102819.db2.gz WJKUFVPGAULHJC-LJQANCHMSA-N -1 3 318.376 3.822 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000156748469 1019121631 /nfs/dbraw/zinc/12/16/31/1019121631.db2.gz OOOZTIGOHLYTJQ-UHFFFAOYSA-N -1 3 300.289 3.998 20 0 DHADHM O=C(Nc1ccc2c(c1)COC2)c1cc([O-])c2ccccc2c1 ZINC000355503176 1019124327 /nfs/dbraw/zinc/12/43/27/1019124327.db2.gz DXWZATFEEDDRPD-UHFFFAOYSA-N -1 3 305.333 3.828 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(O)c1 ZINC000356018472 1019161044 /nfs/dbraw/zinc/16/10/44/1019161044.db2.gz FURNYMIIZRJLNP-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM CC(C)Cc1ncc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000356105686 1019165715 /nfs/dbraw/zinc/16/57/15/1019165715.db2.gz JELNWGLXNOZWCA-UHFFFAOYSA-N -1 3 321.380 3.786 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cscc2C(F)(F)F)s1 ZINC000621430298 1019173195 /nfs/dbraw/zinc/17/31/95/1019173195.db2.gz NFJSZXXEUFGIQL-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000081779727 1019230465 /nfs/dbraw/zinc/23/04/65/1019230465.db2.gz DDRJYDREVVTJPS-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM Cc1csc(C)c1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000725060265 1019260418 /nfs/dbraw/zinc/26/04/18/1019260418.db2.gz AVXHDGJTMQZTKR-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2s1 ZINC000073973935 1019313826 /nfs/dbraw/zinc/31/38/26/1019313826.db2.gz YHXOUEIQOYVSEN-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM COc1ccc2c(c1)CCN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000471965837 1019317291 /nfs/dbraw/zinc/31/72/91/1019317291.db2.gz GIIVEIDXYKQBCD-UHFFFAOYSA-N -1 3 319.360 3.757 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cn1 ZINC000348797185 1019325959 /nfs/dbraw/zinc/32/59/59/1019325959.db2.gz PTBBWYAHHMNVAV-QMMMGPOBSA-N -1 3 311.168 3.585 20 0 DHADHM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cc([O-])c2ccccc2c1 ZINC000888367079 1019431637 /nfs/dbraw/zinc/43/16/37/1019431637.db2.gz 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/nfs/dbraw/zinc/83/67/67/1032836767.db2.gz XSPBUEVGCFZOOZ-DTQAZKPQSA-N -1 3 306.340 3.692 20 0 DHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cs1 ZINC000673128953 1019592946 /nfs/dbraw/zinc/59/29/46/1019592946.db2.gz ULHMMALYFSRUAW-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cs1 ZINC000673128953 1019592953 /nfs/dbraw/zinc/59/29/53/1019592953.db2.gz ULHMMALYFSRUAW-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000096659191 1019618405 /nfs/dbraw/zinc/61/84/05/1019618405.db2.gz YSFQPVLFCAASDM-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1O ZINC000682517268 1019644291 /nfs/dbraw/zinc/64/42/91/1019644291.db2.gz VATGKVSFZRYZGW-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM O=C(Nc1cccc2c1CCO2)c1cc([O-])c2ccccc2c1 ZINC000526027449 1019732305 /nfs/dbraw/zinc/73/23/05/1019732305.db2.gz SXFJDVLAMSPYGV-UHFFFAOYSA-N -1 3 305.333 3.733 20 0 DHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1Cc2ccccc2C1 ZINC000526871404 1019736704 /nfs/dbraw/zinc/73/67/04/1019736704.db2.gz IVQRTLLMCWCZFE-UHFFFAOYSA-N -1 3 317.388 3.785 20 0 DHADHM Cc1n[nH]c2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc12 ZINC000526920772 1019739896 /nfs/dbraw/zinc/73/98/96/1019739896.db2.gz KBASDUPZKRZHBQ-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC000527178688 1019744233 /nfs/dbraw/zinc/74/42/33/1019744233.db2.gz SGDRWKSELJSATK-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM CSc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000527158640 1019745140 /nfs/dbraw/zinc/74/51/40/1019745140.db2.gz KFLGSRIKRSUBCR-UHFFFAOYSA-N -1 3 310.378 3.915 20 0 DHADHM COc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(C)c1 ZINC000527458243 1019752537 /nfs/dbraw/zinc/75/25/37/1019752537.db2.gz ARMMVMGQXSGGTI-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000290795249 1019898936 /nfs/dbraw/zinc/89/89/36/1019898936.db2.gz DWAWBUNHQLPPJG-CQSZACIVSA-N -1 3 309.287 3.616 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1C ZINC000117227420 1019954105 /nfs/dbraw/zinc/95/41/05/1019954105.db2.gz GXMQALFKPCDBGZ-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000352308423 1019983810 /nfs/dbraw/zinc/98/38/10/1019983810.db2.gz YGOVSZWRRDGDAQ-SFHVURJKSA-N -1 3 320.392 3.861 20 0 DHADHM C[C@H]1CCCC[C@H]1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000070694312 1020058686 /nfs/dbraw/zinc/05/86/86/1020058686.db2.gz VWTILZPRZPMKFC-CMPLNLGQSA-N -1 3 318.442 3.569 20 0 DHADHM CC[C@@H](C)CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000671778580 1020159702 /nfs/dbraw/zinc/15/97/02/1020159702.db2.gz GOGNIQNTHJEJNT-SNVBAGLBSA-N -1 3 314.223 3.597 20 0 DHADHM CC(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1[O-] ZINC000612081169 1020177942 /nfs/dbraw/zinc/17/79/42/1020177942.db2.gz FFWFAFGNHIJRED-UHFFFAOYSA-N -1 3 309.365 3.652 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000612087538 1020191821 /nfs/dbraw/zinc/19/18/21/1020191821.db2.gz WJOMJCMYLKVLIP-DZGCQCFKSA-N -1 3 323.483 3.614 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCc3ccc(F)cc3)n[n-]2)o1 ZINC000732520671 1020246780 /nfs/dbraw/zinc/24/67/80/1020246780.db2.gz IAIUCFBXOBRFNM-UHFFFAOYSA-N -1 3 314.316 3.517 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCc3ccc(F)cc3)[n-]n2)o1 ZINC000732520671 1020246789 /nfs/dbraw/zinc/24/67/89/1020246789.db2.gz IAIUCFBXOBRFNM-UHFFFAOYSA-N -1 3 314.316 3.517 20 0 DHADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])ccc1Cl)CC2 ZINC000685717839 1020364966 /nfs/dbraw/zinc/36/49/66/1020364966.db2.gz ZTMNMYNPIJODAY-MRXNPFEDSA-N -1 3 301.773 3.771 20 0 DHADHM O=C([N-]C1(c2ccccc2F)CC1)C(F)(F)c1ccccc1F ZINC000765822439 1020418125 /nfs/dbraw/zinc/41/81/25/1020418125.db2.gz OJEVTSWVTSIHAV-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000055663451 1020455424 /nfs/dbraw/zinc/45/54/24/1020455424.db2.gz YWEQHGIDHXZWFE-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCCOc1ccc(F)cc1 ZINC000733997854 1020546319 /nfs/dbraw/zinc/54/63/19/1020546319.db2.gz IDUAFUSGUUTGGD-UHFFFAOYSA-N -1 3 309.381 3.613 20 0 DHADHM O=C(CCc1ccc2ccccc2c1)NCc1ccc([O-])c(F)c1 ZINC000133038929 1020595093 /nfs/dbraw/zinc/59/50/93/1020595093.db2.gz NHODLLOVEPQGHF-UHFFFAOYSA-N -1 3 323.367 3.934 20 0 DHADHM CC(C)Cc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000303758191 1020599073 /nfs/dbraw/zinc/59/90/73/1020599073.db2.gz DMXYULMNISSUMN-UHFFFAOYSA-N -1 3 315.388 3.589 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N(CC1CCCCC1)C1CC1 ZINC000163636489 1020612907 /nfs/dbraw/zinc/61/29/07/1020612907.db2.gz YGXURLCGZFOLJI-UHFFFAOYSA-N -1 3 320.408 3.786 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000685783341 1020615730 /nfs/dbraw/zinc/61/57/30/1020615730.db2.gz MWOUSOXTWZFCTA-UHFFFAOYSA-N -1 3 301.773 3.984 20 0 DHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccccc1Cl ZINC000186981571 1020642883 /nfs/dbraw/zinc/64/28/83/1020642883.db2.gz JTWDTXOLWIOBOA-AWEZNQCLSA-N -1 3 317.772 3.729 20 0 DHADHM Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(C)c3[O-])c2C)o1 ZINC000161534737 1020684899 /nfs/dbraw/zinc/68/48/99/1020684899.db2.gz TUDKENOIHONDMT-UHFFFAOYSA-N -1 3 311.341 3.553 20 0 DHADHM Cc1cc(Nc2c(Cl)ccc([O-])c2F)n(-c2ccccn2)n1 ZINC001214554058 1020812345 /nfs/dbraw/zinc/81/23/45/1020812345.db2.gz IZUJDGMMUNGAOU-UHFFFAOYSA-N -1 3 318.739 3.817 20 0 DHADHM O=C(Oc1cccc(-n2cccn2)c1)c1cc2ccsc2[n-]1 ZINC000739207338 1020903121 /nfs/dbraw/zinc/90/31/21/1020903121.db2.gz YMOANBQGSLIHHC-UHFFFAOYSA-N -1 3 309.350 3.634 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ccccn1 ZINC001155265955 1021090919 /nfs/dbraw/zinc/09/09/19/1021090919.db2.gz AASWIODUHPZSDA-SNVBAGLBSA-N -1 3 310.731 3.704 20 0 DHADHM Cc1ccc(-c2nc(C(=O)Nc3cccc([O-])c3F)cs2)o1 ZINC000128304538 1021216728 /nfs/dbraw/zinc/21/67/28/1021216728.db2.gz XMMMCHMKMYMLHE-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1SCCc2sccc21 ZINC000128357075 1021227235 /nfs/dbraw/zinc/22/72/35/1021227235.db2.gz WRLOGPFUFRQULN-CYBMUJFWSA-N -1 3 309.387 3.562 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000128609296 1021301425 /nfs/dbraw/zinc/30/14/25/1021301425.db2.gz NXERNSHRGDOXDI-VXGBXAGGSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000128658868 1021310268 /nfs/dbraw/zinc/31/02/68/1021310268.db2.gz MUQOYTJLJQRKMR-GHMZBOCLSA-N -1 3 307.271 3.552 20 0 DHADHM CCCc1cnc([N-]C(=O)c2c(C)noc2C(F)(F)F)s1 ZINC000776414925 1021352190 /nfs/dbraw/zinc/35/21/90/1021352190.db2.gz GVHWAVFSPSPYCN-UHFFFAOYSA-N -1 3 319.308 3.663 20 0 DHADHM O=C(OCc1ccc2ccccc2n1)c1cc(-c2ccco2)[n-]n1 ZINC000917945144 1021396211 /nfs/dbraw/zinc/39/62/11/1021396211.db2.gz RTRKHQZMPHERMB-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM O=C(OCc1ccc2ccccc2n1)c1cc(-c2ccco2)n[n-]1 ZINC000917945144 1021396229 /nfs/dbraw/zinc/39/62/29/1021396229.db2.gz RTRKHQZMPHERMB-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM Cc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)o1 ZINC000744217748 1021473502 /nfs/dbraw/zinc/47/35/02/1021473502.db2.gz OXJVNKUHSVWONK-UHFFFAOYSA-N -1 3 324.336 3.587 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccccc3C)c2)n1 ZINC000744219203 1021473590 /nfs/dbraw/zinc/47/35/90/1021473590.db2.gz NTFFVZDZRZQHDH-UHFFFAOYSA-N -1 3 320.348 3.685 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C=C3CCCC3)c2)n1 ZINC000744217876 1021473897 /nfs/dbraw/zinc/47/38/97/1021473897.db2.gz SFERSGGTXRYRRM-UHFFFAOYSA-N -1 3 310.353 3.563 20 0 DHADHM O=C(Oc1cccc2c1CCCC2=O)c1cc2ccsc2[n-]1 ZINC000744271487 1021482948 /nfs/dbraw/zinc/48/29/48/1021482948.db2.gz JHZHHRPQVBLJHD-UHFFFAOYSA-N -1 3 311.362 3.968 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CCF)C2)c([O-])c1 ZINC000618698939 1021495698 /nfs/dbraw/zinc/49/56/98/1021495698.db2.gz YWXONJRJRMDHBX-CQSZACIVSA-N -1 3 323.408 3.783 20 0 DHADHM [O-]C(=Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1Cl ZINC001211647415 1021502041 /nfs/dbraw/zinc/50/20/41/1021502041.db2.gz OLQRXYDHLAVWCR-UHFFFAOYSA-N -1 3 316.719 3.955 20 0 DHADHM Nc1cc(C(F)(F)F)cnc1Nc1c(Cl)ccc([O-])c1F ZINC001214556466 1021523445 /nfs/dbraw/zinc/52/34/45/1021523445.db2.gz TUVOZPJBVQTNRW-UHFFFAOYSA-N -1 3 321.661 3.924 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CC[C@H]1CCc3ccccc31)C2 ZINC000659790737 1021527632 /nfs/dbraw/zinc/52/76/32/1021527632.db2.gz LIGXQVYRMMBXAP-OAHLLOKOSA-N -1 3 307.393 3.821 20 0 DHADHM CCCCc1nc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cs1 ZINC000659799724 1021536323 /nfs/dbraw/zinc/53/63/23/1021536323.db2.gz NHGVKYRFUFIZSM-GUYCJALGSA-N -1 3 322.474 3.563 20 0 DHADHM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129742368 1021567388 /nfs/dbraw/zinc/56/73/88/1021567388.db2.gz QUTJYXRJDBRAOU-UHFFFAOYSA-N -1 3 317.360 3.864 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cc(F)ccc1F ZINC000919061636 1021711062 /nfs/dbraw/zinc/71/10/62/1021711062.db2.gz CYUJFCXCLTXFNC-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cc(F)ccc1F ZINC000919061636 1021711077 /nfs/dbraw/zinc/71/10/77/1021711077.db2.gz CYUJFCXCLTXFNC-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cccs1 ZINC000163740181 1021718498 /nfs/dbraw/zinc/71/84/98/1021718498.db2.gz QWIWAWKQGUBPNU-ZDUSSCGKSA-N -1 3 320.389 3.640 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccnc1Sc1ccccc1 ZINC000194833882 1021727478 /nfs/dbraw/zinc/72/74/78/1021727478.db2.gz SSNNYSVAAAQPMR-UHFFFAOYSA-N -1 3 323.377 3.586 20 0 DHADHM CC(C)CCc1noc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000746050217 1021835296 /nfs/dbraw/zinc/83/52/96/1021835296.db2.gz SYIPATLQNVLCKS-UHFFFAOYSA-N -1 3 323.437 3.567 20 0 DHADHM COCCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746080353 1021845282 /nfs/dbraw/zinc/84/52/82/1021845282.db2.gz WLJSPVITWAKYPC-UHFFFAOYSA-N -1 3 320.772 3.906 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1[O-] ZINC000556893153 1021927362 /nfs/dbraw/zinc/92/73/62/1021927362.db2.gz SJOMGTDRJHPYQH-UHFFFAOYSA-N -1 3 317.772 3.820 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1[O-] ZINC000556892486 1021934453 /nfs/dbraw/zinc/93/44/53/1021934453.db2.gz JWGGCEXUCPILDP-UHFFFAOYSA-N -1 3 315.394 3.787 20 0 DHADHM O=C(COc1ccsc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000556951071 1021967916 /nfs/dbraw/zinc/96/79/16/1021967916.db2.gz DLWVFURVMUGGOY-UHFFFAOYSA-N -1 3 318.181 3.778 20 0 DHADHM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000153502070 1022078061 /nfs/dbraw/zinc/07/80/61/1022078061.db2.gz PHSUIATWMZKKLT-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2cccc(N3CCOCC3)c2)c1F ZINC001214561412 1022117319 /nfs/dbraw/zinc/11/73/19/1022117319.db2.gz KWTXJYJYQVLLRG-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc2ccccc2c1 ZINC000003507709 1022150529 /nfs/dbraw/zinc/15/05/29/1022150529.db2.gz ITVRWQPSEKYSSN-UHFFFAOYSA-N -1 3 306.317 3.585 20 0 DHADHM O=C(CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000153546073 1022221812 /nfs/dbraw/zinc/22/18/12/1022221812.db2.gz RKIOTSJLIWFRSF-UHFFFAOYSA-N -1 3 303.745 3.647 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1cccc(F)c1F ZINC000766628753 1022318706 /nfs/dbraw/zinc/31/87/06/1022318706.db2.gz GUYBURAWJBSSAN-SNVBAGLBSA-N -1 3 311.278 3.934 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(-c2ccccn2)n1 ZINC001212587979 1022332647 /nfs/dbraw/zinc/33/26/47/1022332647.db2.gz CWJMRIKFQXYLNN-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)cnc1Cl ZINC001212590379 1022416796 /nfs/dbraw/zinc/41/67/96/1022416796.db2.gz JUWRXCTZYAZVGY-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cc(Nc2ccc(CN3CCOCC3)cc2)ccc1Cl ZINC001212591477 1022452872 /nfs/dbraw/zinc/45/28/72/1022452872.db2.gz OOGOEIFCKJJCNU-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1F ZINC001169744060 1022522615 /nfs/dbraw/zinc/52/26/15/1022522615.db2.gz IRTQIJBHDRPABD-UHFFFAOYSA-N -1 3 321.783 3.879 20 0 DHADHM O=c1cc(CNc2ccccc2N2CCCCC2)nc(C2CC2)[n-]1 ZINC000416992200 1022554861 /nfs/dbraw/zinc/55/48/61/1022554861.db2.gz OXDXMPYWJCCNGC-UHFFFAOYSA-N -1 3 324.428 3.662 20 0 DHADHM O=c1cc(CNc2cccc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000416996281 1022556893 /nfs/dbraw/zinc/55/68/93/1022556893.db2.gz UOHJFFRDCFYHRE-UHFFFAOYSA-N -1 3 309.291 3.691 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c([O-])c1 ZINC000621173149 1022602880 /nfs/dbraw/zinc/60/28/80/1022602880.db2.gz ZDPZHCSMUYWAKF-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM O=C(CCCc1ncc(-c2ccccc2)o1)[N-]OCC1CCC1 ZINC000856344873 1022799451 /nfs/dbraw/zinc/79/94/51/1022799451.db2.gz DSRXTYAXJPWQIB-UHFFFAOYSA-N -1 3 314.385 3.512 20 0 DHADHM O=C(Nc1cncc2c1CCCC2)c1cc([O-])ccc1Cl ZINC000617100833 1022846626 /nfs/dbraw/zinc/84/66/26/1022846626.db2.gz HRLOIRUSOJSRNC-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621869978 1022912849 /nfs/dbraw/zinc/91/28/49/1022912849.db2.gz UEXHUZYWTNRESW-SNVBAGLBSA-N -1 3 301.308 3.816 20 0 DHADHM CCN(CC1CCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621987700 1022982294 /nfs/dbraw/zinc/98/22/94/1022982294.db2.gz DOKALUJRPUQVEG-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC3(CCCC3)CC2)cc1[O-] ZINC000617563512 1023000676 /nfs/dbraw/zinc/00/06/76/1023000676.db2.gz UFNIKKBVPGMMHD-UHFFFAOYSA-N -1 3 315.413 3.781 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(C2CC2)CC1 ZINC000622063562 1023021505 /nfs/dbraw/zinc/02/15/05/1023021505.db2.gz MDGISBQNUNLAIL-UHFFFAOYSA-N -1 3 313.319 3.673 20 0 DHADHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622105222 1023030604 /nfs/dbraw/zinc/03/06/04/1023030604.db2.gz UXVOFJCAYXOMRW-SECBINFHSA-N -1 3 301.308 3.672 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000622375316 1023127454 /nfs/dbraw/zinc/12/74/54/1023127454.db2.gz WATUMCJFLCJTSD-QGZVFWFLSA-N -1 3 312.413 3.785 20 0 DHADHM Cc1n[nH]nc1C(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000194042926 1023149159 /nfs/dbraw/zinc/14/91/59/1023149159.db2.gz FPDPFVZEDXVTIF-UHFFFAOYSA-N -1 3 310.810 3.519 20 0 DHADHM Cc1cc(C)cc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000769516129 1023172036 /nfs/dbraw/zinc/17/20/36/1023172036.db2.gz SDONDMXJMGAATM-UHFFFAOYSA-N -1 3 305.365 3.605 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000769829942 1023225594 /nfs/dbraw/zinc/22/55/94/1023225594.db2.gz BWRNCINGEKCARQ-INIZCTEOSA-N -1 3 317.335 3.956 20 0 DHADHM Cc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)s1 ZINC000337667463 1033126014 /nfs/dbraw/zinc/12/60/14/1033126014.db2.gz UCLNGHGPLGQGOK-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM COc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1F ZINC000771522604 1023448813 /nfs/dbraw/zinc/44/88/13/1023448813.db2.gz IUWPHIGSNYQQBH-UHFFFAOYSA-N -1 3 315.344 3.671 20 0 DHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668981851 1023566518 /nfs/dbraw/zinc/56/65/18/1023566518.db2.gz DSBIJSUDTLKTTH-OAHLLOKOSA-N -1 3 316.426 3.732 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2ccccc2F)C(C)C)n1 ZINC000661484063 1023615123 /nfs/dbraw/zinc/61/51/23/1023615123.db2.gz JNQHXMLPRRABLP-MLGOLLRUSA-N -1 3 303.381 3.678 20 0 DHADHM O=C(OCc1nc(C(F)(F)F)cs1)c1cc2occc2[n-]1 ZINC000786029937 1023653138 /nfs/dbraw/zinc/65/31/38/1023653138.db2.gz JSQRZJKEYLTMNC-UHFFFAOYSA-N -1 3 316.260 3.593 20 0 DHADHM O=C(OCc1ncccc1C(F)(F)F)c1cc2occc2[n-]1 ZINC000786031003 1023654056 /nfs/dbraw/zinc/65/40/56/1023654056.db2.gz FUSHOZJRHDECCM-UHFFFAOYSA-N -1 3 310.231 3.532 20 0 DHADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1cc2sccc2c([O-])c1 ZINC000786139977 1023663269 /nfs/dbraw/zinc/66/32/69/1023663269.db2.gz LSURKBOVXUXZNK-OAHLLOKOSA-N -1 3 324.357 3.571 20 0 DHADHM O=C(OCCCc1ccncc1)c1cc2sccc2c([O-])c1 ZINC000786137396 1023666498 /nfs/dbraw/zinc/66/64/98/1023666498.db2.gz NLENPTLAMLLCMJ-UHFFFAOYSA-N -1 3 313.378 3.792 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cc2ccccc2o1 ZINC000756756585 1023706532 /nfs/dbraw/zinc/70/65/32/1023706532.db2.gz AEBAVRVGXBDYNU-VIFPVBQESA-N -1 3 322.336 3.859 20 0 DHADHM CC(C)[C@H](Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001170066007 1023741306 /nfs/dbraw/zinc/74/13/06/1023741306.db2.gz FWLCNJTZXMGBPK-INIZCTEOSA-N -1 3 311.364 3.815 20 0 DHADHM CC(C)[C@H](Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001170066007 1023741315 /nfs/dbraw/zinc/74/13/15/1023741315.db2.gz FWLCNJTZXMGBPK-INIZCTEOSA-N -1 3 311.364 3.815 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000048653466 1023803149 /nfs/dbraw/zinc/80/31/49/1023803149.db2.gz OLJBJGXIMKDWMK-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000005418113 1023812799 /nfs/dbraw/zinc/81/27/99/1023812799.db2.gz GUSJHLHVTGPHLO-UHFFFAOYSA-N -1 3 310.246 3.852 20 0 DHADHM O=C([O-])CCCCCN(Cc1ccco1)Cc1cccs1 ZINC000652372893 1023823030 /nfs/dbraw/zinc/82/30/30/1023823030.db2.gz ZEMWTXXBPGAKPI-UHFFFAOYSA-N -1 3 307.415 3.988 20 0 DHADHM CC(C)[C@@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652389216 1023835512 /nfs/dbraw/zinc/83/55/12/1023835512.db2.gz DKOHMUXNVXKREZ-SNVBAGLBSA-N -1 3 314.223 3.624 20 0 DHADHM Cc1ccc(CN(Cc2ccsc2C(=O)[O-])CC2CC2)cn1 ZINC000652432903 1023860290 /nfs/dbraw/zinc/86/02/90/1023860290.db2.gz HBMVACHSMSCYML-UHFFFAOYSA-N -1 3 316.426 3.562 20 0 DHADHM CCc1cnc(NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000788306136 1023868635 /nfs/dbraw/zinc/86/86/35/1023868635.db2.gz QQSWOZCHLARJGU-UHFFFAOYSA-N -1 3 304.396 3.878 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H]1c1ccncc1 ZINC000788272491 1023870042 /nfs/dbraw/zinc/87/00/42/1023870042.db2.gz XSJKHUIEEUNMOK-OAHLLOKOSA-N -1 3 324.405 3.979 20 0 DHADHM CC(C)c1nnc(NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000788279072 1023870081 /nfs/dbraw/zinc/87/00/81/1023870081.db2.gz WNHOTKWXQNYHLI-UHFFFAOYSA-N -1 3 319.411 3.834 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252591576 1023928454 /nfs/dbraw/zinc/92/84/54/1023928454.db2.gz DQALROWSFQCJEL-FXPVBKGRSA-N -1 3 302.201 3.849 20 0 DHADHM CCCn1cc(NCc2cc(Cl)c([O-])c(OCC)c2)cn1 ZINC000788846069 1023944273 /nfs/dbraw/zinc/94/42/73/1023944273.db2.gz FETQXVHWSDDIES-UHFFFAOYSA-N -1 3 309.797 3.663 20 0 DHADHM [O-]c1cc(Cl)ccc1NC(=S)NCCc1ccc(F)cc1 ZINC000789278688 1024036902 /nfs/dbraw/zinc/03/69/02/1024036902.db2.gz GKNNQAWKZAEURG-UHFFFAOYSA-N -1 3 324.808 3.714 20 0 DHADHM CCC[C@]1(C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266364763 1024039408 /nfs/dbraw/zinc/03/94/08/1024039408.db2.gz SQYIKFKERKZTSH-LJQANCHMSA-N -1 3 312.413 3.983 20 0 DHADHM CCC[C@@]1(C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000266364761 1024040054 /nfs/dbraw/zinc/04/00/54/1024040054.db2.gz SQYIKFKERKZTSH-IBGZPJMESA-N -1 3 312.413 3.983 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000452757414 1024186136 /nfs/dbraw/zinc/18/61/36/1024186136.db2.gz PQDJSWUAGGBLBE-WCBMZHEXSA-N -1 3 312.207 3.838 20 0 DHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269155272 1024248233 /nfs/dbraw/zinc/24/82/33/1024248233.db2.gz MOEKLLRHMKVOKK-SUMWQHHRSA-N -1 3 312.413 3.981 20 0 DHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269155271 1024248756 /nfs/dbraw/zinc/24/87/56/1024248756.db2.gz MOEKLLRHMKVOKK-GUYCJALGSA-N -1 3 312.413 3.981 20 0 DHADHM COc1ccccc1-c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131733864 1024429421 /nfs/dbraw/zinc/42/94/21/1024429421.db2.gz MLMNMFIWJCVHSY-DHZHZOJOSA-N -1 3 304.349 3.616 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000007745964 1024439061 /nfs/dbraw/zinc/43/90/61/1024439061.db2.gz UOHPMGAEJNXULQ-UHFFFAOYSA-N -1 3 307.440 3.772 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N(Cc1ccccn1)C1CC1 ZINC000791307616 1024467858 /nfs/dbraw/zinc/46/78/58/1024467858.db2.gz XSXCCDSNAGZEQO-UHFFFAOYSA-N -1 3 324.405 3.807 20 0 DHADHM FC(F)c1nnc([N-][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000432336713 1024511682 /nfs/dbraw/zinc/51/16/82/1024511682.db2.gz PKMXHVGUCLCNRG-CQSZACIVSA-N -1 3 315.323 4.403 20 0 DHADHM CCN(CCc1ccccn1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792079633 1024629629 /nfs/dbraw/zinc/62/96/29/1024629629.db2.gz PXHYDZWRTDWMEZ-UHFFFAOYSA-N -1 3 320.392 3.645 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000318820736 1024662481 /nfs/dbraw/zinc/66/24/81/1024662481.db2.gz YBELHIOZEHKGPF-LBPRGKRZSA-N -1 3 319.298 3.687 20 0 DHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000263066160 1024727066 /nfs/dbraw/zinc/72/70/66/1024727066.db2.gz OAMZFCNYOZIJRS-UONOGXRCSA-N -1 3 315.369 3.615 20 0 DHADHM O=C(NCc1ccccc1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001202633966 1024732746 /nfs/dbraw/zinc/73/27/46/1024732746.db2.gz PUMLZAWLZCNQSM-UHFFFAOYSA-N -1 3 310.275 3.733 20 0 DHADHM CCCC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000349619214 1024734713 /nfs/dbraw/zinc/73/47/13/1024734713.db2.gz ZDMFJIADBFMNTH-UHFFFAOYSA-N -1 3 302.349 3.882 20 0 DHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1 ZINC000800207456 1024738864 /nfs/dbraw/zinc/73/88/64/1024738864.db2.gz YWWJNZOMZXISEM-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1 ZINC000800207456 1024738872 /nfs/dbraw/zinc/73/88/72/1024738872.db2.gz YWWJNZOMZXISEM-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1 ZINC000800207456 1024738886 /nfs/dbraw/zinc/73/88/86/1024738886.db2.gz YWWJNZOMZXISEM-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM CC[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1F ZINC000800206727 1024739276 /nfs/dbraw/zinc/73/92/76/1024739276.db2.gz HKMICZQIINPYFA-CQSZACIVSA-N -1 3 317.295 3.544 20 0 DHADHM CC[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1F ZINC000800206727 1024739291 /nfs/dbraw/zinc/73/92/91/1024739291.db2.gz HKMICZQIINPYFA-CQSZACIVSA-N -1 3 317.295 3.544 20 0 DHADHM CC[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1F ZINC000800206727 1024739303 /nfs/dbraw/zinc/73/93/03/1024739303.db2.gz HKMICZQIINPYFA-CQSZACIVSA-N -1 3 317.295 3.544 20 0 DHADHM O=C(NCc1ccccc1)Nc1c([O-])cccc1C(F)(F)F ZINC001202636548 1024744959 /nfs/dbraw/zinc/74/49/59/1024744959.db2.gz FHLSMTSMDMGSMU-UHFFFAOYSA-N -1 3 310.275 3.733 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000349916001 1024767405 /nfs/dbraw/zinc/76/74/05/1024767405.db2.gz PLDPRVWYKAWJIO-MLGOLLRUSA-N -1 3 312.413 3.977 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000119954720 1025003893 /nfs/dbraw/zinc/00/38/93/1025003893.db2.gz UFPBUDWZHRTEMI-GOSISDBHSA-N -1 3 315.392 3.515 20 0 DHADHM COc1ncc([N-]c2noc(C(C)(C)C)n2)cc1C(F)(F)F ZINC001212799394 1025008681 /nfs/dbraw/zinc/00/86/81/1025008681.db2.gz FCQFZXMGFIOJOI-UHFFFAOYSA-N -1 3 316.283 3.533 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Cl)ccc1F ZINC000053209941 1025084528 /nfs/dbraw/zinc/08/45/28/1025084528.db2.gz VGLSNFGTAXZLDT-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001167883368 1025132721 /nfs/dbraw/zinc/13/27/21/1025132721.db2.gz GJZQZOCPNDVNOT-OAHLLOKOSA-N -1 3 317.429 3.833 20 0 DHADHM C[C@]12CC3CC(C(=O)[N-]OCC(F)(F)F)(C1)C[C@@](C)(C3)C2 ZINC000135212028 1025194666 /nfs/dbraw/zinc/19/46/66/1025194666.db2.gz LNPVWQSKPGKNNP-AMZBWDOQSA-N -1 3 305.340 3.593 20 0 DHADHM O=C(CCOc1cccc(Cl)c1Cl)[N-]OC/C=C\Cl ZINC000794292533 1025249956 /nfs/dbraw/zinc/24/99/56/1025249956.db2.gz ICCCAZRRILODSL-KXFIGUGUSA-N -1 3 324.591 3.563 20 0 DHADHM CCCCOc1ccc(F)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001211721903 1025377559 /nfs/dbraw/zinc/37/75/59/1025377559.db2.gz ZTYZVQBHJWYHIU-UHFFFAOYSA-N -1 3 318.348 3.553 20 0 DHADHM CC(C)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC000355295234 1025673597 /nfs/dbraw/zinc/67/35/97/1025673597.db2.gz CEDDCTUQRRKYEF-HNNXBMFYSA-N -1 3 304.777 3.819 20 0 DHADHM CCC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccn1 ZINC000355321104 1025679166 /nfs/dbraw/zinc/67/91/66/1025679166.db2.gz PEYOFOPAJGQJOV-LBPRGKRZSA-N -1 3 304.777 3.963 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccoc1C(F)(F)F ZINC000355382695 1025703213 /nfs/dbraw/zinc/70/32/13/1025703213.db2.gz LSJMNOTWQWOOPJ-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM Cc1cc([C@H](C)N2C[C@@H](C)C(F)(F)[C@H](C)C2)oc1C(=O)[O-] ZINC000629364101 1026067156 /nfs/dbraw/zinc/06/71/56/1026067156.db2.gz IXXHHVABBPOJDO-MXWKQRLJSA-N -1 3 301.333 3.570 20 0 DHADHM COc1ccc(C(=O)NC(C)(C)C)cc1-c1ccc([O-])cc1F ZINC001206064698 1026074127 /nfs/dbraw/zinc/07/41/27/1026074127.db2.gz NKZNUWZNCUKNER-UHFFFAOYSA-N -1 3 317.360 3.735 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001211979033 1026114015 /nfs/dbraw/zinc/11/40/15/1026114015.db2.gz MITREEHDAYFYIS-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2cccc([O-])c2Cl)c1 ZINC001211979169 1026116771 /nfs/dbraw/zinc/11/67/71/1026116771.db2.gz PJZNABYATSTUTH-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1cccs1 ZINC000289910221 1026228988 /nfs/dbraw/zinc/22/89/88/1026228988.db2.gz AKAAUDINQBOCNH-JTQLQIEISA-N -1 3 309.818 3.716 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(Cl)nc(Cl)c2)n1 ZINC000808361287 1026272660 /nfs/dbraw/zinc/27/26/60/1026272660.db2.gz NJOHNJZNJFURRL-UHFFFAOYSA-N -1 3 316.213 3.626 20 0 DHADHM COCC1(c2noc(-c3ccc(C)cc3[O-])n2)CCCCC1 ZINC000290012278 1026281923 /nfs/dbraw/zinc/28/19/23/1026281923.db2.gz DNOUXSGGJXFAHD-UHFFFAOYSA-N -1 3 302.374 3.599 20 0 DHADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1cc(F)cc(Br)c1 ZINC000808467350 1026311448 /nfs/dbraw/zinc/31/14/48/1026311448.db2.gz ZBUCDPBMFXKDQN-JTQLQIEISA-N -1 3 324.140 3.811 20 0 DHADHM O=C(OCC[C@@H]1CCCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810667546 1026822186 /nfs/dbraw/zinc/82/21/86/1026822186.db2.gz BSEUDDSNIYARFH-JTQLQIEISA-N -1 3 313.806 3.999 20 0 DHADHM O=C(OCCC[C@@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810672635 1026823453 /nfs/dbraw/zinc/82/34/53/1026823453.db2.gz HXKVEBWLFJMNJQ-JTQLQIEISA-N -1 3 313.806 3.999 20 0 DHADHM COC(C)(C)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810718868 1026832406 /nfs/dbraw/zinc/83/24/06/1026832406.db2.gz PMXRKBIPOSOCCL-UHFFFAOYSA-N -1 3 301.795 3.855 20 0 DHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccnn1C ZINC000810805490 1026851224 /nfs/dbraw/zinc/85/12/24/1026851224.db2.gz GGLAPBGSIWBKNC-SSDOTTSWSA-N -1 3 309.778 3.534 20 0 DHADHM O=C(OCc1nc(C2CC2)no1)c1cc2cc(Cl)sc2[n-]1 ZINC000811395341 1026991995 /nfs/dbraw/zinc/99/19/95/1026991995.db2.gz CJXYXOJUYFHZTI-UHFFFAOYSA-N -1 3 323.761 3.500 20 0 DHADHM O=C(Nc1nccc2ccncc21)c1cc([O-])c2ccccc2c1 ZINC000811419740 1026999230 /nfs/dbraw/zinc/99/92/30/1026999230.db2.gz KCNYGPDWDKINQE-UHFFFAOYSA-N -1 3 315.332 3.741 20 0 DHADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000295352169 1027218034 /nfs/dbraw/zinc/21/80/34/1027218034.db2.gz KKPPIRGOGNQYRH-HBNTYKKESA-N -1 3 301.308 3.584 20 0 DHADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000562080759 1027220961 /nfs/dbraw/zinc/22/09/61/1027220961.db2.gz XXLBIMMSVAKZFH-GFCCVEGCSA-N -1 3 303.789 3.715 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2c(F)cccc2Cl)c1[O-] ZINC000573039566 1027255300 /nfs/dbraw/zinc/25/53/00/1027255300.db2.gz WFMJRTGMCWLYQT-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000812401148 1027259540 /nfs/dbraw/zinc/25/95/40/1027259540.db2.gz VWFCSXVSKSYKQY-NWPZZWLHSA-N -1 3 321.726 3.999 20 0 DHADHM O=C(CCCOc1ccc2c(c1)CCCC2)[N-]OC/C=C\Cl ZINC000812407392 1027284254 /nfs/dbraw/zinc/28/42/54/1027284254.db2.gz LTNQTRGDIVPQLZ-WMZJFQQLSA-N -1 3 323.820 3.525 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OC/C=C/Cl ZINC000812408592 1027286254 /nfs/dbraw/zinc/28/62/54/1027286254.db2.gz QDHWFEBRWPQJTO-NYYWCZLTSA-N -1 3 301.773 3.696 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc(Cl)cc21 ZINC000574561785 1027405552 /nfs/dbraw/zinc/40/55/52/1027405552.db2.gz XAWZAFLGGBINDQ-UHFFFAOYSA-N -1 3 308.164 3.902 20 0 DHADHM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OC1CCC1 ZINC000812791975 1027420485 /nfs/dbraw/zinc/42/04/85/1027420485.db2.gz GALFKCFNXAAGHW-UHFFFAOYSA-N -1 3 303.402 3.541 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)c(C)c2)c1[O-] ZINC000562469449 1027450939 /nfs/dbraw/zinc/45/09/39/1027450939.db2.gz CGLOSWJTIFMYBA-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1nc2cc(CSc3nc(C(F)F)cc(=O)[n-]3)ccc2[nH]1 ZINC000575220631 1027464427 /nfs/dbraw/zinc/46/44/27/1027464427.db2.gz PNSMDKZUIZMECF-UHFFFAOYSA-N -1 3 322.340 3.597 20 0 DHADHM Cc1nc2ccc(CSc3nc(C(F)F)cc(=O)[n-]3)cc2[nH]1 ZINC000575220631 1027464435 /nfs/dbraw/zinc/46/44/35/1027464435.db2.gz PNSMDKZUIZMECF-UHFFFAOYSA-N -1 3 322.340 3.597 20 0 DHADHM CC(C)O[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000296739281 1027723874 /nfs/dbraw/zinc/72/38/74/1027723874.db2.gz APYICGKAXDMYNP-QWHCGFSZSA-N -1 3 316.426 3.802 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)ccc1F ZINC000364468010 1027824561 /nfs/dbraw/zinc/82/45/61/1027824561.db2.gz XMMNAIUDPCAVHR-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccccc1[O-] ZINC000563178157 1027918922 /nfs/dbraw/zinc/91/89/22/1027918922.db2.gz ZFJMWJSQNRNVJS-IBGZPJMESA-N -1 3 313.372 3.769 20 0 DHADHM O=C(Nc1cccc(CSC2CCCCC2)c1)c1cnn[n-]1 ZINC000116837106 1027941691 /nfs/dbraw/zinc/94/16/91/1027941691.db2.gz SESOHFIIEFGKDU-UHFFFAOYSA-N -1 3 316.430 3.623 20 0 DHADHM O=C(Nc1cccc(CSC2CCCCC2)c1)c1c[n-]nn1 ZINC000116837106 1027941704 /nfs/dbraw/zinc/94/17/04/1027941704.db2.gz SESOHFIIEFGKDU-UHFFFAOYSA-N -1 3 316.430 3.623 20 0 DHADHM O=C(Nc1cccc(CSC2CCCCC2)c1)c1cn[n-]n1 ZINC000116837106 1027941717 /nfs/dbraw/zinc/94/17/17/1027941717.db2.gz SESOHFIIEFGKDU-UHFFFAOYSA-N -1 3 316.430 3.623 20 0 DHADHM COc1cnc([C@@H]2CCCN2CC[C@@H]2CCC[C@H](C)C2)[n-]c1=O ZINC000934272214 1027949234 /nfs/dbraw/zinc/94/92/34/1027949234.db2.gz FSOQJLRFNNRGMT-KKUMJFAQSA-N -1 3 319.449 3.544 20 0 DHADHM Cc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448663572 1027959733 /nfs/dbraw/zinc/95/97/33/1027959733.db2.gz FXANAVZNMRNIAX-CYBMUJFWSA-N -1 3 301.361 3.602 20 0 DHADHM COc1ccc2c(c1)CCCN2C(=O)c1cc([O-])ccc1Cl ZINC000814266339 1027977914 /nfs/dbraw/zinc/97/79/14/1027977914.db2.gz FGGDJCSYTHCSCL-UHFFFAOYSA-N -1 3 317.772 3.647 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000814253263 1027979725 /nfs/dbraw/zinc/97/97/25/1027979725.db2.gz FNTHSBVNSKAFMW-LLVKDONJSA-N -1 3 301.773 3.805 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OC1CCCCC1 ZINC000814319635 1028000640 /nfs/dbraw/zinc/00/06/40/1028000640.db2.gz LFDPWWHZBFEVAL-UHFFFAOYSA-N -1 3 306.793 3.744 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1cccc(C(F)F)c1 ZINC000780365073 1028020725 /nfs/dbraw/zinc/02/07/25/1028020725.db2.gz GLNZSPRUQFUEPO-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](c2ccco2)C1 ZINC000366227103 1028065632 /nfs/dbraw/zinc/06/56/32/1028065632.db2.gz ZQIUCPXCVANLDM-AWEZNQCLSA-N -1 3 307.349 3.768 20 0 DHADHM CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448786904 1028066886 /nfs/dbraw/zinc/06/68/86/1028066886.db2.gz PWAPWXATEIOYHC-UHFFFAOYSA-N -1 3 319.351 3.650 20 0 DHADHM CCc1occc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000366783166 1028109494 /nfs/dbraw/zinc/10/94/94/1028109494.db2.gz SNSVCLDYTBYPMB-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC12CCCCC2 ZINC000366985449 1028120730 /nfs/dbraw/zinc/12/07/30/1028120730.db2.gz APAFBZLSGJVWQS-UHFFFAOYSA-N -1 3 306.381 3.540 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](F)C1 ZINC000563631457 1028134647 /nfs/dbraw/zinc/13/46/47/1028134647.db2.gz RYLAFBDQOZIRSA-MRXNPFEDSA-N -1 3 313.372 3.557 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000578634837 1028202467 /nfs/dbraw/zinc/20/24/67/1028202467.db2.gz LASJCUSYOCSXEW-QWRGUYRKSA-N -1 3 321.323 3.807 20 0 DHADHM CCc1c(C(=O)Nc2c([O-])cccc2Cl)[nH]c(C)c1C(C)=O ZINC000564398945 1028429031 /nfs/dbraw/zinc/42/90/31/1028429031.db2.gz LQCCJEVANAOSKQ-UHFFFAOYSA-N -1 3 320.776 3.699 20 0 DHADHM O=C([N-]OC/C=C/Cl)C1(CCCOCc2ccccc2)CC1 ZINC000936058516 1028461077 /nfs/dbraw/zinc/46/10/77/1028461077.db2.gz IQZWVPLECDPIMG-VZUCSPMQSA-N -1 3 323.820 3.564 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000815393269 1028496639 /nfs/dbraw/zinc/49/66/39/1028496639.db2.gz QFFGVEGAXYWEFM-UHFFFAOYSA-N -1 3 307.752 3.850 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccsc2)CC1 ZINC000626515397 1028586438 /nfs/dbraw/zinc/58/64/38/1028586438.db2.gz KSFUXDHEYJNLOI-UHFFFAOYSA-N -1 3 301.411 3.782 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccncc1Oc1ccccc1 ZINC000565637032 1028615007 /nfs/dbraw/zinc/61/50/07/1028615007.db2.gz HXCVHMYDPUVILT-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000626625333 1028623795 /nfs/dbraw/zinc/62/37/95/1028623795.db2.gz CARPSKXLWJVNNN-NSHDSACASA-N -1 3 301.308 3.504 20 0 DHADHM C[C@@H](NCc1ncccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000565977028 1028663383 /nfs/dbraw/zinc/66/33/83/1028663383.db2.gz SNCQTRIKJFOJQE-GFCCVEGCSA-N -1 3 311.410 3.762 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC3CCC3)c2)n1 ZINC000371854593 1028768457 /nfs/dbraw/zinc/76/84/57/1028768457.db2.gz VYIOQGRXYZVZAV-UHFFFAOYSA-N -1 3 311.385 3.676 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C(C)C)C1CCC1 ZINC000566920827 1028805414 /nfs/dbraw/zinc/80/54/14/1028805414.db2.gz VIKMWFOPVDPEDR-UHFFFAOYSA-N -1 3 315.417 3.517 20 0 DHADHM CO[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000816349554 1028820876 /nfs/dbraw/zinc/82/08/76/1028820876.db2.gz TZOKOGGWKBCTIE-SNVBAGLBSA-N -1 3 301.795 3.711 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2c(C)onc2C2CC2)c1F ZINC000410618150 1028916216 /nfs/dbraw/zinc/91/62/16/1028916216.db2.gz ADYKVVDBUVOUKS-UHFFFAOYSA-N -1 3 322.311 3.790 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000567969653 1028986012 /nfs/dbraw/zinc/98/60/12/1028986012.db2.gz MGWQIUXMTBQMPT-UHFFFAOYSA-N -1 3 317.772 3.956 20 0 DHADHM Cc1nc(Cl)ccc1CC(=O)Nc1c([O-])cccc1Cl ZINC000816768803 1028997603 /nfs/dbraw/zinc/99/76/03/1028997603.db2.gz HRUOAVJJLFNINN-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1c(F)ccnc1F ZINC000816832443 1029010613 /nfs/dbraw/zinc/01/06/13/1029010613.db2.gz ATYMKEOWRLKIBH-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1nc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)sc1C ZINC000816833767 1029013347 /nfs/dbraw/zinc/01/33/47/1029013347.db2.gz UBVWGXLZPPZDMD-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM [O-]c1cccc(CN2CCCC(F)(F)CC2)c1Br ZINC000628422537 1029051696 /nfs/dbraw/zinc/05/16/96/1029051696.db2.gz UAASBGRRWQEBJB-UHFFFAOYSA-N -1 3 320.177 3.776 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000628405390 1029043035 /nfs/dbraw/zinc/04/30/35/1029043035.db2.gz KUHGTHVDDVMANS-CYBMUJFWSA-N -1 3 317.335 3.690 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-c2cc[nH]n2)s1 ZINC000568682961 1029112543 /nfs/dbraw/zinc/11/25/43/1029112543.db2.gz GNIDEHNFUITTNC-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OCC1CC1 ZINC000817350182 1029127202 /nfs/dbraw/zinc/12/72/02/1029127202.db2.gz ZDMBBSGNLVDRFC-UHFFFAOYSA-N -1 3 302.201 3.774 20 0 DHADHM O=C(Cc1csc2ccc(Cl)cc12)[N-]OCCC1CC1 ZINC000817388067 1029142352 /nfs/dbraw/zinc/14/23/52/1029142352.db2.gz PHQSGASQYHNJBL-UHFFFAOYSA-N -1 3 309.818 3.945 20 0 DHADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817403609 1029148523 /nfs/dbraw/zinc/14/85/23/1029148523.db2.gz LKHTWMZELYYMSK-UHFFFAOYSA-N -1 3 317.429 3.696 20 0 DHADHM CC(C)c1cc(Cl)ccc1NC(=O)NCc1ncccc1[O-] ZINC000529243204 1029163584 /nfs/dbraw/zinc/16/35/84/1029163584.db2.gz JDTFNKMHQAIGTG-UHFFFAOYSA-N -1 3 319.792 3.886 20 0 DHADHM CCC(F)(F)C(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000628879930 1029172749 /nfs/dbraw/zinc/17/27/49/1029172749.db2.gz FPVKGWYEPAVOPX-UHFFFAOYSA-N -1 3 305.752 3.847 20 0 DHADHM COC(=O)c1c(F)ccc(SC)c1-c1ccc([O-])cc1F ZINC001206088486 1029198429 /nfs/dbraw/zinc/19/84/29/1029198429.db2.gz MFFCXLHOHPZVFG-UHFFFAOYSA-N -1 3 310.321 3.846 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2ccccc2)cc1 ZINC000155436273 1029235854 /nfs/dbraw/zinc/23/58/54/1029235854.db2.gz KOMCXLLBUAENBI-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2ccccc2)cc1 ZINC000155436273 1029235868 /nfs/dbraw/zinc/23/58/68/1029235868.db2.gz KOMCXLLBUAENBI-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000374215156 1029241009 /nfs/dbraw/zinc/24/10/09/1029241009.db2.gz AYRULXARJKHXLQ-UKRRQHHQSA-N -1 3 311.381 3.506 20 0 DHADHM CCCN(C(=O)c1ccc(N)cc1[O-])[C@H]1CCc2ccccc21 ZINC000817918189 1029274773 /nfs/dbraw/zinc/27/47/73/1029274773.db2.gz WXHRBMREGLEOBE-KRWDZBQOSA-N -1 3 310.397 3.514 20 0 DHADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817951468 1029293362 /nfs/dbraw/zinc/29/33/62/1029293362.db2.gz GLWJLBVEOBFOFS-AEFFLSMTSA-N -1 3 324.424 3.691 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000529440080 1029296948 /nfs/dbraw/zinc/29/69/48/1029296948.db2.gz UBCQWANDILVZTC-AQUOVQTQSA-N -1 3 324.218 3.694 20 0 DHADHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000044011964 1029306571 /nfs/dbraw/zinc/30/65/71/1029306571.db2.gz KHFWMOIGOZRSQN-XTTRTJGBSA-N -1 3 314.772 3.720 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629373235 1029316856 /nfs/dbraw/zinc/31/68/56/1029316856.db2.gz KSEFKHYWPZGZHM-UEKVPHQBSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@H]2CCC[C@@H]21 ZINC000629374036 1029318228 /nfs/dbraw/zinc/31/82/28/1029318228.db2.gz OQVNNTMCYJSIFT-NFAWXSAZSA-N -1 3 311.784 3.554 20 0 DHADHM COc1cccc(C(=O)N(C)c2ccc3ccccc3c2)c1[O-] ZINC001136085439 1029323116 /nfs/dbraw/zinc/32/31/16/1029323116.db2.gz DHYXXQMPVPVGEX-UHFFFAOYSA-N -1 3 307.349 3.831 20 0 DHADHM CCOc1c(Cl)cccc1CC(=O)[N-]OCc1ccccc1 ZINC000191242217 1029329687 /nfs/dbraw/zinc/32/96/87/1029329687.db2.gz DSMFLDZOGOQLHT-UHFFFAOYSA-N -1 3 319.788 3.529 20 0 DHADHM CCOC([O-])=NOCC/C=C\c1ccc(Br)cc1 ZINC000818106565 1029336586 /nfs/dbraw/zinc/33/65/86/1029336586.db2.gz VZUOEZNROIWGQZ-HYXAFXHYSA-N -1 3 314.179 3.530 20 0 DHADHM CCOC(=O)[N-]OCC/C=C\c1ccc(Br)cc1 ZINC000818106565 1029336593 /nfs/dbraw/zinc/33/65/93/1029336593.db2.gz VZUOEZNROIWGQZ-HYXAFXHYSA-N -1 3 314.179 3.530 20 0 DHADHM Cc1nnsc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000191373189 1029399789 /nfs/dbraw/zinc/39/97/89/1029399789.db2.gz OBXUETIAXJWHLM-UHFFFAOYSA-N -1 3 319.333 3.711 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCSC2(CCC2)CC1 ZINC000412449574 1029446245 /nfs/dbraw/zinc/44/62/45/1029446245.db2.gz CGVMRUUVZPJVRO-UHFFFAOYSA-N -1 3 311.834 3.547 20 0 DHADHM CC(C)(C)c1cc(CO[N-]C(=O)CCCc2ccccc2)no1 ZINC000820706674 1029758996 /nfs/dbraw/zinc/75/89/96/1029758996.db2.gz SOKKGBMROCXLCH-UHFFFAOYSA-N -1 3 316.401 3.543 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000794866720 1030017459 /nfs/dbraw/zinc/01/74/59/1030017459.db2.gz VUUJKFMXMYMHLS-NEPJUHHUSA-N -1 3 311.809 3.643 20 0 DHADHM COc1ccsc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000357726188 1030165333 /nfs/dbraw/zinc/16/53/33/1030165333.db2.gz CSXXNRNOJNEEEZ-UHFFFAOYSA-N -1 3 317.395 3.528 20 0 DHADHM Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c([O-])c1C ZINC000924770409 1030182615 /nfs/dbraw/zinc/18/26/15/1030182615.db2.gz PMBFPTZUJDUHKX-UHFFFAOYSA-N -1 3 307.781 3.692 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000291541300 1030540255 /nfs/dbraw/zinc/54/02/55/1030540255.db2.gz RGCICDKLNGTNQE-UHFFFAOYSA-N -1 3 324.837 3.661 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072837654 1030582314 /nfs/dbraw/zinc/58/23/14/1030582314.db2.gz MMBLEYNUHYPFLS-QWRGUYRKSA-N -1 3 323.487 3.503 20 0 DHADHM Nc1cc(Cl)c(Cl)nc1Nc1ccc([O-])c(F)c1F ZINC001212005310 1030635664 /nfs/dbraw/zinc/63/56/64/1030635664.db2.gz GSOLFPFIUQVPRU-UHFFFAOYSA-N -1 3 306.099 3.698 20 0 DHADHM COC(Cc1ccccc1Nc1ccc([O-])c(F)c1F)OC ZINC001212008923 1030645683 /nfs/dbraw/zinc/64/56/83/1030645683.db2.gz HOSDJORHGLQFHK-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM CO[C@@H]1CCOc2c(Nc3ccc([O-])c(F)c3F)cccc21 ZINC001212014025 1030661090 /nfs/dbraw/zinc/66/10/90/1030661090.db2.gz VZSARYVNXSBWLD-CYBMUJFWSA-N -1 3 307.296 3.884 20 0 DHADHM CC/C(=C\C(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000179157442 1030669931 /nfs/dbraw/zinc/66/99/31/1030669931.db2.gz JAEVGWUPDILZDO-VAWYXSNFSA-N -1 3 315.344 3.972 20 0 DHADHM COC(=O)c1cc(C)c(C)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016215 1030672005 /nfs/dbraw/zinc/67/20/05/1030672005.db2.gz DQFYQWAPZWEFNE-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM O=C1c2cccc(Nc3ccc([O-])c(F)c3F)c2CN1C1CC1 ZINC001212016607 1030675454 /nfs/dbraw/zinc/67/54/54/1030675454.db2.gz XZQSVWOQYWVHGJ-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM COC(=O)[C@H](C)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212016483 1030675821 /nfs/dbraw/zinc/67/58/21/1030675821.db2.gz RTKCLTJVXAOWBC-SECBINFHSA-N -1 3 307.296 3.691 20 0 DHADHM COC(=O)c1c(C)ccc(Nc2ccc([O-])c(F)c2F)c1F ZINC001212016462 1030676602 /nfs/dbraw/zinc/67/66/02/1030676602.db2.gz RAWVNCZVEAVXJQ-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(Cl)c3)n[n-]2)o1 ZINC000359002420 1030722294 /nfs/dbraw/zinc/72/22/94/1030722294.db2.gz OMQBODFUDQBMQI-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H](c2ccsc2)O1 ZINC000248668338 1030757434 /nfs/dbraw/zinc/75/74/34/1030757434.db2.gz AEXSGGSZHMSKGS-BZNIZROVSA-N -1 3 307.390 3.555 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCOCc2ccccc2)n1 ZINC000359066669 1030757602 /nfs/dbraw/zinc/75/76/02/1030757602.db2.gz JAUWBFMLKCOBAL-UHFFFAOYSA-N -1 3 318.442 3.585 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000161572400 1030925601 /nfs/dbraw/zinc/92/56/01/1030925601.db2.gz JBZYWKKNXRYOLG-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM COc1ccc2cc([C@H](C)C(=O)Nc3cncc([O-])c3)ccc2c1 ZINC001143738642 1030930647 /nfs/dbraw/zinc/93/06/47/1030930647.db2.gz WUXIEMKCFASCCM-LBPRGKRZSA-N -1 3 322.364 3.691 20 0 DHADHM C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc([O-])c1F ZINC000926920809 1030995784 /nfs/dbraw/zinc/99/57/84/1030995784.db2.gz SCAVJQAEBDTQIJ-NEPJUHHUSA-N -1 3 301.361 3.706 20 0 DHADHM Cc1ccc2c(ncc(C(=O)[O-])c2N2CCC(F)(F)CC2)c1C ZINC000844206695 1031003363 /nfs/dbraw/zinc/00/33/63/1031003363.db2.gz PPJMFFOMKUNLIJ-UHFFFAOYSA-N -1 3 320.339 3.785 20 0 DHADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cnn[n-]1 ZINC000359558603 1031028407 /nfs/dbraw/zinc/02/84/07/1031028407.db2.gz GMVRBDJYZWNRIQ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1c[n-]nn1 ZINC000359558603 1031028424 /nfs/dbraw/zinc/02/84/24/1031028424.db2.gz GMVRBDJYZWNRIQ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cn[n-]n1 ZINC000359558603 1031028441 /nfs/dbraw/zinc/02/84/41/1031028441.db2.gz GMVRBDJYZWNRIQ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM C[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1F ZINC000871211457 1031162031 /nfs/dbraw/zinc/16/20/31/1031162031.db2.gz SSTWQLWOJZCWSA-JTQLQIEISA-N -1 3 307.287 3.710 20 0 DHADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871212653 1031162190 /nfs/dbraw/zinc/16/21/90/1031162190.db2.gz BYQDLGJIKRSRSI-GFCCVEGCSA-N -1 3 303.324 3.879 20 0 DHADHM C[C@]1(C(=O)[N-]OCCCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000871216778 1031164803 /nfs/dbraw/zinc/16/48/03/1031164803.db2.gz GCBAZBIULGGLET-OCCSQVGLSA-N -1 3 301.308 3.571 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)o1 ZINC000871269244 1031178095 /nfs/dbraw/zinc/17/80/95/1031178095.db2.gz LNSFXAIPOGEBHM-UHFFFAOYSA-N -1 3 316.254 3.744 20 0 DHADHM CCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCCCC1 ZINC000359945372 1031211446 /nfs/dbraw/zinc/21/14/46/1031211446.db2.gz RTDZXOIVXXSOID-UHFFFAOYSA-N -1 3 302.378 3.672 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2COC(C)(C)C)c1 ZINC000928233938 1031264449 /nfs/dbraw/zinc/26/44/49/1031264449.db2.gz GZOPBCJBHDERNF-GFCCVEGCSA-N -1 3 323.458 3.534 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCSc3ccccc32)c1 ZINC000536694313 1031397215 /nfs/dbraw/zinc/39/72/15/1031397215.db2.gz ULKRPFZBXRVSKW-UHFFFAOYSA-N -1 3 315.394 3.543 20 0 DHADHM COc1ccc(OC)c([C@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872017414 1031397480 /nfs/dbraw/zinc/39/74/80/1031397480.db2.gz AZOCEMPXOXHZGE-NEPJUHHUSA-N -1 3 319.376 3.960 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000536695232 1031399775 /nfs/dbraw/zinc/39/97/75/1031399775.db2.gz ULMGOLAJAKGKHF-LLVKDONJSA-N -1 3 301.411 3.776 20 0 DHADHM CCCCOc1ncccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872029003 1031413126 /nfs/dbraw/zinc/41/31/26/1031413126.db2.gz UTPALCFAJKEUFP-ZDUSSCGKSA-N -1 3 318.392 3.956 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCN(CC3CC3)c3ccccc32)c1 ZINC000536732668 1031416039 /nfs/dbraw/zinc/41/60/39/1031416039.db2.gz ITEFYBXULKYKAE-UHFFFAOYSA-N -1 3 322.408 3.577 20 0 DHADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2cccc([O-])c2F)o1 ZINC000872037357 1031422223 /nfs/dbraw/zinc/42/22/23/1031422223.db2.gz AZCIALHAMHDFOH-SMDDNHRTSA-N -1 3 307.365 3.725 20 0 DHADHM O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1cc(Br)ccc1[O-] ZINC001144298441 1031437482 /nfs/dbraw/zinc/43/74/82/1031437482.db2.gz RXEUPSGNOQXXDG-VWYCJHECSA-N -1 3 324.218 3.920 20 0 DHADHM C[C@@H](NCc1cccc2c1OCCCO2)c1cccc([O-])c1F ZINC000872053835 1031443578 /nfs/dbraw/zinc/44/35/78/1031443578.db2.gz XGVYFSHUITWXCY-GFCCVEGCSA-N -1 3 317.360 3.543 20 0 DHADHM C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872064235 1031458370 /nfs/dbraw/zinc/45/83/70/1031458370.db2.gz DJWXUNVDTFRWNG-IINYFYTJSA-N -1 3 305.324 3.845 20 0 DHADHM C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cccc([O-])c1F ZINC000872063686 1031458450 /nfs/dbraw/zinc/45/84/50/1031458450.db2.gz RYCLFKJZKWIILR-LBPRGKRZSA-N -1 3 303.377 3.610 20 0 DHADHM Nc1ccc(C(=O)OCCCCC(F)(F)F)c([O-])c1Cl ZINC000845193502 1031504691 /nfs/dbraw/zinc/50/46/91/1031504691.db2.gz TXKJPIHUYOTVHF-UHFFFAOYSA-N -1 3 311.687 3.517 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC001144554767 1031702086 /nfs/dbraw/zinc/70/20/86/1031702086.db2.gz GZRRPXHRVFGXQO-NSHDSACASA-N -1 3 307.315 3.799 20 0 DHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000561178681 1031755824 /nfs/dbraw/zinc/75/58/24/1031755824.db2.gz RZSDTGWUGPGYOI-MGCOHNPYSA-N -1 3 322.257 3.850 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C)cc1C ZINC001144633436 1031780997 /nfs/dbraw/zinc/78/09/97/1031780997.db2.gz VMGGLHXXAOOCCQ-QGZVFWFLSA-N -1 3 315.388 3.958 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1CF ZINC000294280251 1031914787 /nfs/dbraw/zinc/91/47/87/1031914787.db2.gz ZTFMVDCGBPKJLU-MRXNPFEDSA-N -1 3 313.372 3.557 20 0 DHADHM C/C(=C\CN(Cc1cc(F)ccc1F)C1CCCC1)C(=O)[O-] ZINC000846255805 1031944153 /nfs/dbraw/zinc/94/41/53/1031944153.db2.gz RPNAIMGQOKOJPJ-XYOKQWHBSA-N -1 3 309.356 3.740 20 0 DHADHM CC(=O)c1cccc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000842029240 1031957427 /nfs/dbraw/zinc/95/74/27/1031957427.db2.gz YTXBKFOHMWLCBU-UHFFFAOYSA-N -1 3 303.402 3.798 20 0 DHADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000874086702 1031975213 /nfs/dbraw/zinc/97/52/13/1031975213.db2.gz KVPXBWNCGMSCKS-UHFFFAOYSA-N -1 3 317.292 3.588 20 0 DHADHM Cc1ccc2c(CCC(=O)[N-]OC3CCCCC3)c[nH]c2c1 ZINC000777950003 1032014333 /nfs/dbraw/zinc/01/43/33/1032014333.db2.gz QEUJKBZTEBUHOF-UHFFFAOYSA-N -1 3 300.402 3.789 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777958395 1032043336 /nfs/dbraw/zinc/04/33/36/1032043336.db2.gz LMPWVNMQJBKKDJ-AWEZNQCLSA-N -1 3 305.418 3.644 20 0 DHADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OC1CCCCC1 ZINC000777967576 1032053816 /nfs/dbraw/zinc/05/38/16/1032053816.db2.gz OPPHAOHNODHEEJ-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM Cc1ccc(C(=O)CCCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777964516 1032056732 /nfs/dbraw/zinc/05/67/32/1032056732.db2.gz JXSODNOGKHFCHX-UHFFFAOYSA-N -1 3 303.402 3.729 20 0 DHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000138057959 1033338195 /nfs/dbraw/zinc/33/81/95/1033338195.db2.gz JZLKKMIMHUBVSD-MRVPVSSYSA-N -1 3 307.781 3.518 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1csc(C2CC2)n1 ZINC000153235112 1033568862 /nfs/dbraw/zinc/56/88/62/1033568862.db2.gz GPVPUHYCTLRCBS-UHFFFAOYSA-N -1 3 316.426 3.591 20 0 DHADHM CSc1cc(F)c(-c2noc(-c3cncc([O-])c3)n2)cc1F ZINC001212709621 1033575576 /nfs/dbraw/zinc/57/55/76/1033575576.db2.gz DRYJUZIPCMLCRZ-UHFFFAOYSA-N -1 3 321.308 3.504 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(CC2CC2)s1 ZINC000889264888 1033636492 /nfs/dbraw/zinc/63/64/92/1033636492.db2.gz KAQKIIMGCXSFJR-UHFFFAOYSA-N -1 3 312.316 3.765 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN(CC2CC2)c2ccccc2)o1 ZINC000878263896 1033640555 /nfs/dbraw/zinc/64/05/55/1033640555.db2.gz AKVWOVHKNIUZNC-UHFFFAOYSA-N -1 3 321.380 3.859 20 0 DHADHM CSCCCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000861716837 1033709052 /nfs/dbraw/zinc/70/90/52/1033709052.db2.gz ATTFWCKFYWKFEX-UHFFFAOYSA-N -1 3 309.431 3.847 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccnc1C1CC1 ZINC000889882564 1033764029 /nfs/dbraw/zinc/76/40/29/1033764029.db2.gz OQISPHCAFNLYQA-UHFFFAOYSA-N -1 3 314.360 3.765 20 0 DHADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1ccoc1 ZINC000350829552 1033958763 /nfs/dbraw/zinc/95/87/63/1033958763.db2.gz JNVARFGRQMYHAL-UHFFFAOYSA-N -1 3 307.705 3.671 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174065029 1034068660 /nfs/dbraw/zinc/06/86/60/1034068660.db2.gz SRQHUNZEMQCOLD-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM CCCCNC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174123523 1034145221 /nfs/dbraw/zinc/14/52/21/1034145221.db2.gz NAQVREZGLFSVHN-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM CCN(CC)C(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174169053 1034190838 /nfs/dbraw/zinc/19/08/38/1034190838.db2.gz VGRKAGZHPHLNDM-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM Cc1n[nH]c(C)c1[N-]c1nc2cc(Br)ccc2o1 ZINC001174213279 1034226311 /nfs/dbraw/zinc/22/63/11/1034226311.db2.gz SVJBKGMTYFIGGR-UHFFFAOYSA-N -1 3 307.151 3.674 20 0 DHADHM O=C(c1ccccc1)c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174222366 1034233999 /nfs/dbraw/zinc/23/39/99/1034233999.db2.gz MBKUBHKLCNKHSG-UHFFFAOYSA-N -1 3 308.312 3.901 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc2n[nH]cc2c1 ZINC001174274569 1034266903 /nfs/dbraw/zinc/26/69/03/1034266903.db2.gz YGIXSNAWHGPDFY-UHFFFAOYSA-N -1 3 322.137 3.914 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174323145 1034287940 /nfs/dbraw/zinc/28/79/40/1034287940.db2.gz ZVXISIYQVBKUHU-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2nc3ccccc3o2)n1 ZINC000183278075 1034369483 /nfs/dbraw/zinc/36/94/83/1034369483.db2.gz MZLVJKSIKOVKRK-JTQLQIEISA-N -1 3 315.398 3.880 20 0 DHADHM COc1ccc(F)c(F)c1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001174423429 1034370363 /nfs/dbraw/zinc/37/03/63/1034370363.db2.gz WFEKOHVFGCCPNY-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccccc1OC ZINC000864528140 1034377520 /nfs/dbraw/zinc/37/75/20/1034377520.db2.gz MDLFAZFPFIDCCV-KRWDZBQOSA-N -1 3 313.397 3.563 20 0 DHADHM CC[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000554941279 1034434704 /nfs/dbraw/zinc/43/47/04/1034434704.db2.gz PVGLCQFTSUDXEP-GFCCVEGCSA-N -1 3 303.789 3.969 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174520812 1034477815 /nfs/dbraw/zinc/47/78/15/1034477815.db2.gz OQYYRQRKSUKBBU-UHFFFAOYSA-N -1 3 305.765 3.931 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc2[nH]ccc21 ZINC001174645149 1034525133 /nfs/dbraw/zinc/52/51/33/1034525133.db2.gz WANSVZADLLGIAC-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(CC)nc2C)CC)n1 ZINC000899373259 1034619520 /nfs/dbraw/zinc/61/95/20/1034619520.db2.gz RIJZYHWFXLPRKH-LCYFTJDESA-N -1 3 300.406 3.610 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)CC(F)F ZINC000881536442 1034623965 /nfs/dbraw/zinc/62/39/65/1034623965.db2.gz CWVMCVLFFNUDPW-UHFFFAOYSA-N -1 3 307.340 3.957 20 0 DHADHM COc1ccc(Nc2cccc(Cl)c2[O-])c(OC)c1OC ZINC001174901526 1034669311 /nfs/dbraw/zinc/66/93/11/1034669311.db2.gz UCLHKQYUYZSMSF-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CCOc1cc(F)c(Nc2ncc(Cl)cc2[O-])cc1F ZINC001175056448 1034747848 /nfs/dbraw/zinc/74/78/48/1034747848.db2.gz VAEXIUCFKJXSOT-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM COCCNc1cccc(F)c1Nc1c(F)cc([O-])cc1F ZINC001175102327 1034783988 /nfs/dbraw/zinc/78/39/88/1034783988.db2.gz IRWWQUKIEZDEQO-UHFFFAOYSA-N -1 3 312.291 3.611 20 0 DHADHM CC(C)(C)c1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000481512971 1034866332 /nfs/dbraw/zinc/86/63/32/1034866332.db2.gz YGYDIZIGTMGGIJ-UHFFFAOYSA-N -1 3 324.384 3.543 20 0 DHADHM CCCCCOc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001175297776 1034904942 /nfs/dbraw/zinc/90/49/42/1034904942.db2.gz ZNNMCYSGZDAEFE-UHFFFAOYSA-N -1 3 314.385 3.804 20 0 DHADHM O=C(OCc1cnoc1C1CC1)c1cc(Cl)c(Cl)[n-]1 ZINC000773482278 1034905003 /nfs/dbraw/zinc/90/50/03/1034905003.db2.gz LRAAVWOYNPOHHY-UHFFFAOYSA-N -1 3 301.129 3.544 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc(F)c(Br)c2)c1F ZINC001175261989 1034912066 /nfs/dbraw/zinc/91/20/66/1034912066.db2.gz WJRUDUBXLWNWKO-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnc(F)c2Br)c1F ZINC001175262895 1034912485 /nfs/dbraw/zinc/91/24/85/1034912485.db2.gz BNNKWCRGUSGSQO-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1c(Br)cncc1Nc1c(F)ccc([O-])c1F ZINC001175263243 1034912526 /nfs/dbraw/zinc/91/25/26/1034912526.db2.gz HTYYCBBHMKFWSZ-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1N1CCOCC1 ZINC001175268361 1034914374 /nfs/dbraw/zinc/91/43/74/1034914374.db2.gz LCUXFYBZBGTUHB-UHFFFAOYSA-N -1 3 320.339 3.559 20 0 DHADHM COC(Cc1ccccc1Nc1c(F)ccc([O-])c1F)OC ZINC001175268208 1034914478 /nfs/dbraw/zinc/91/44/78/1034914478.db2.gz KAULKQPOHQFAPS-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM CCOC(=O)c1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268166 1034914751 /nfs/dbraw/zinc/91/47/51/1034914751.db2.gz JBWCWFXQBKEZTH-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COCCNc1cccc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175270930 1034916928 /nfs/dbraw/zinc/91/69/28/1034916928.db2.gz OLTIGJDCYAPURQ-UHFFFAOYSA-N -1 3 312.291 3.611 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1coc(C2CC2)n1 ZINC000667931049 1034942999 /nfs/dbraw/zinc/94/29/99/1034942999.db2.gz SVVSWOJWHMHUSF-UHFFFAOYSA-N -1 3 304.371 3.535 20 0 DHADHM Cc1cc(Cl)nc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175425104 1034977905 /nfs/dbraw/zinc/97/79/05/1034977905.db2.gz MIJAUMWOIUKCIV-UHFFFAOYSA-N -1 3 321.171 3.621 20 0 DHADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC001175427992 1034978904 /nfs/dbraw/zinc/97/89/04/1034978904.db2.gz COHZWIZQSSWWNT-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM c1ccc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC001175428210 1034979002 /nfs/dbraw/zinc/97/90/02/1034979002.db2.gz ISDVXFLTZUDJTB-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM CC(C)Oc1c(F)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431284 1034979976 /nfs/dbraw/zinc/97/99/76/1034979976.db2.gz ASCJLEGZKPXTIP-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM Clc1ccc2ncccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430299 1034980815 /nfs/dbraw/zinc/98/08/15/1034980815.db2.gz OYZPPWNGNDMRST-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1cnc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001175432330 1034981083 /nfs/dbraw/zinc/98/10/83/1034981083.db2.gz AOJCRRHIUBGIAJ-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1csc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC001175430153 1034981416 /nfs/dbraw/zinc/98/14/16/1034981416.db2.gz HJBMZIACXVSQIO-UHFFFAOYSA-N -1 3 320.381 3.734 20 0 DHADHM c1cc2c3c(ccc(Nc4ccc(-c5nn[n-]n5)cc4)c3c1)CC2 ZINC001175433503 1034982957 /nfs/dbraw/zinc/98/29/57/1034982957.db2.gz ZQIRUCMHBLJSJE-UHFFFAOYSA-N -1 3 313.364 3.862 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CCc1ccc(C)s1 ZINC001175614005 1035065510 /nfs/dbraw/zinc/06/55/10/1035065510.db2.gz NYUYUSQLCQEBQG-UHFFFAOYSA-N -1 3 303.383 3.536 20 0 DHADHM CCN1CCN(c2ccc(Nc3ccc([S-])cc3)cc2)CC1 ZINC001175780934 1035118999 /nfs/dbraw/zinc/11/89/99/1035118999.db2.gz OTBUATNHCYZAQW-UHFFFAOYSA-N -1 3 313.470 3.861 20 0 DHADHM O=c1cc(Nc2ccc(-c3cccnc3)cc2)nc(C2CC2)[n-]1 ZINC001175889024 1035140142 /nfs/dbraw/zinc/14/01/42/1035140142.db2.gz UPVNZCLQWOJQBG-UHFFFAOYSA-N -1 3 304.353 3.865 20 0 DHADHM COC(=O)c1onc(C)c1[N-]c1c(F)ccc2ccc(C)nc21 ZINC001176115382 1035207412 /nfs/dbraw/zinc/20/74/12/1035207412.db2.gz YQIZEXVVUBAFMT-UHFFFAOYSA-N -1 3 315.304 3.509 20 0 DHADHM O=c1cc(Nc2cc(F)cc(N3CCCC3)c2)nc(C2CC2)[n-]1 ZINC001176418329 1035268906 /nfs/dbraw/zinc/26/89/06/1035268906.db2.gz KABARYNMIHKETB-UHFFFAOYSA-N -1 3 314.364 3.543 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001176465142 1035274238 /nfs/dbraw/zinc/27/42/38/1035274238.db2.gz ILKRAKAZBCZWTJ-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(CC)ccc2[O-])C1 ZINC000162867433 1035278451 /nfs/dbraw/zinc/27/84/51/1035278451.db2.gz IQQZQIYLERWZTD-ZIAGYGMSSA-N -1 3 307.459 3.701 20 0 DHADHM CSc1cccc(C)c1[N-]C(=O)c1scc2c1OCCO2 ZINC000653750973 1035302977 /nfs/dbraw/zinc/30/29/77/1035302977.db2.gz CJEIPUDOFLEHMY-UHFFFAOYSA-N -1 3 321.423 3.802 20 0 DHADHM O=c1cc(Nc2ccc(OC(F)(F)F)cc2)nc(C2CC2)[n-]1 ZINC001176640049 1035304933 /nfs/dbraw/zinc/30/49/33/1035304933.db2.gz KBGAFLHAPWCHGR-UHFFFAOYSA-N -1 3 311.263 3.702 20 0 DHADHM CN(C)[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])cc3)cccc21 ZINC001176713885 1035326468 /nfs/dbraw/zinc/32/64/68/1035326468.db2.gz VRYOBEMOSHJSGF-MRXNPFEDSA-N -1 3 312.369 3.514 20 0 DHADHM CCC[C@@H](CNCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000903997070 1035338048 /nfs/dbraw/zinc/33/80/48/1035338048.db2.gz MZXIHDRKPGZEPY-ZDUSSCGKSA-N -1 3 304.415 3.515 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C(F)F)nc1)c1ccccc1 ZINC000904005126 1035343307 /nfs/dbraw/zinc/34/33/07/1035343307.db2.gz PAAMUQRRNBUWSF-IAQYHMDHSA-N -1 3 320.339 3.571 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C(F)F)nc1)c1ccccc1 ZINC000904005125 1035343475 /nfs/dbraw/zinc/34/34/75/1035343475.db2.gz PAAMUQRRNBUWSF-ABAIWWIYSA-N -1 3 320.339 3.571 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1sccc1OC ZINC000904033940 1035347040 /nfs/dbraw/zinc/34/70/40/1035347040.db2.gz XUUAEAQXYRUNKJ-CQSZACIVSA-N -1 3 319.426 3.625 20 0 DHADHM COc1ccc(C)cc1CN[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904042331 1035351921 /nfs/dbraw/zinc/35/19/21/1035351921.db2.gz CPZKZEZVJZQBOF-QGZVFWFLSA-N -1 3 313.397 3.618 20 0 DHADHM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183631 1035466436 /nfs/dbraw/zinc/46/64/36/1035466436.db2.gz WDKJUUWTHHGWGF-VHSXEESVSA-N -1 3 320.359 3.607 20 0 DHADHM C[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(C)(C)C ZINC000485106246 1035472705 /nfs/dbraw/zinc/47/27/05/1035472705.db2.gz NLBNFURTDPTFKV-SNVBAGLBSA-N -1 3 312.373 3.839 20 0 DHADHM Cn1c(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc2ccccc21 ZINC001179307958 1035473026 /nfs/dbraw/zinc/47/30/26/1035473026.db2.gz IQGHJCIEOKXSND-UHFFFAOYSA-N -1 3 318.380 3.682 20 0 DHADHM Cc1cccc(C)c1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC001179361130 1035475708 /nfs/dbraw/zinc/47/57/08/1035475708.db2.gz RVGOCXZLOUJVKH-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001179503578 1035481907 /nfs/dbraw/zinc/48/19/07/1035481907.db2.gz ILQRJWNMPLNIAZ-LRDDRELGSA-N -1 3 305.805 3.696 20 0 DHADHM Cc1ccc(CCC[N-]C(=O)C(F)(F)C(F)(F)Cl)s1 ZINC001179780527 1035498661 /nfs/dbraw/zinc/49/86/61/1035498661.db2.gz ZKISBCWQXOZUIV-UHFFFAOYSA-N -1 3 317.735 3.572 20 0 DHADHM CC(C)CCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775573294 1035568341 /nfs/dbraw/zinc/56/83/41/1035568341.db2.gz GRIACBJQUBNHRT-MRXNPFEDSA-N -1 3 306.406 3.855 20 0 DHADHM CC(C)CCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775573294 1035568354 /nfs/dbraw/zinc/56/83/54/1035568354.db2.gz GRIACBJQUBNHRT-MRXNPFEDSA-N -1 3 306.406 3.855 20 0 DHADHM CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(F)cc2)c1[O-] ZINC001193143634 1035576840 /nfs/dbraw/zinc/57/68/40/1035576840.db2.gz QQOGZZSCSWJZKA-SNVBAGLBSA-N -1 3 316.332 3.617 20 0 DHADHM CC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1Cl ZINC000223095075 1035603400 /nfs/dbraw/zinc/60/34/00/1035603400.db2.gz APKPNFIBRNRTKD-UHFFFAOYSA-N -1 3 308.740 3.755 20 0 DHADHM CCc1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)s1 ZINC000905739855 1035636856 /nfs/dbraw/zinc/63/68/56/1035636856.db2.gz OOQPHMOEVRFKCU-UHFFFAOYSA-N -1 3 321.364 3.540 20 0 DHADHM CCCOc1cc(OC)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000190894135 1035644138 /nfs/dbraw/zinc/64/41/38/1035644138.db2.gz FNKHJFHTPWLVHR-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM Cc1ccccc1O[C@H](C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180524953 1035698513 /nfs/dbraw/zinc/69/85/13/1035698513.db2.gz VNQNNAWMWYZCGO-LLVKDONJSA-N -1 3 305.761 3.760 20 0 DHADHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193745366 1035709260 /nfs/dbraw/zinc/70/92/60/1035709260.db2.gz HTAZSJOCCHJPLN-VIFPVBQESA-N -1 3 301.308 3.529 20 0 DHADHM CCc1ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cn1 ZINC001193733943 1035709693 /nfs/dbraw/zinc/70/96/93/1035709693.db2.gz CFSHLQMZLRLGIC-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM O=C(Nc1c[nH]c2cccnc12)c1ccc([O-])cc1C(F)(F)F ZINC001193736256 1035712017 /nfs/dbraw/zinc/71/20/17/1035712017.db2.gz YMUXGCIEWYZINK-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1nn(CC(C)C)c(C)c1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193875821 1035749224 /nfs/dbraw/zinc/74/92/24/1035749224.db2.gz NTFGEYSYHCXYJR-UHFFFAOYSA-N -1 3 321.808 3.767 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC001193937205 1035766141 /nfs/dbraw/zinc/76/61/41/1035766141.db2.gz SODHYRXBOAEHHI-UHFFFAOYSA-N -1 3 315.369 3.662 20 0 DHADHM Cc1ccccc1[C@H](C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906106629 1035770068 /nfs/dbraw/zinc/77/00/68/1035770068.db2.gz KQCYUAZHUCOFGM-NSHDSACASA-N -1 3 322.368 3.570 20 0 DHADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000670082806 1035797273 /nfs/dbraw/zinc/79/72/73/1035797273.db2.gz DNAHXDUWCCDLLG-JKSUJKDBSA-N -1 3 313.372 3.514 20 0 DHADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001181337836 1035886637 /nfs/dbraw/zinc/88/66/37/1035886637.db2.gz UIWLBXLKQGCMQJ-SNVBAGLBSA-N -1 3 307.752 3.972 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2nsc3ccccc32)s1 ZINC000906366477 1035937579 /nfs/dbraw/zinc/93/75/79/1035937579.db2.gz BYIKDEXCVCYDMQ-UHFFFAOYSA-N -1 3 318.427 3.599 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001194614935 1035982555 /nfs/dbraw/zinc/98/25/55/1035982555.db2.gz BUUMBXJQPKLDBT-UHFFFAOYSA-N -1 3 316.426 3.767 20 0 DHADHM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001181819977 1036002813 /nfs/dbraw/zinc/00/28/13/1036002813.db2.gz AMOABLAMNUTHES-UHFFFAOYSA-N -1 3 301.361 3.911 20 0 DHADHM CSCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000463044053 1036015480 /nfs/dbraw/zinc/01/54/80/1036015480.db2.gz PXXMRFRBLFBOLB-UHFFFAOYSA-N -1 3 315.464 4.266 20 0 DHADHM Cc1ccc2nc([N-]S(=O)(=O)CC[Si](C)(C)C)ccc2c1 ZINC001195040225 1036110977 /nfs/dbraw/zinc/11/09/77/1036110977.db2.gz BMYDDSBKAUKZGY-UHFFFAOYSA-N -1 3 322.506 3.623 20 0 DHADHM Cc1ccccc1CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000774043056 1036136445 /nfs/dbraw/zinc/13/64/45/1036136445.db2.gz IXJBFVMWFQZKRC-UHFFFAOYSA-N -1 3 311.406 3.888 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1c(F)cc(OC)cc1Cl ZINC000637056042 1036250526 /nfs/dbraw/zinc/25/05/26/1036250526.db2.gz JPUNBVLQHPTDOZ-UHFFFAOYSA-N -1 3 312.728 3.599 20 0 DHADHM COc1cccc2cc(C(=O)[N-]c3c(C)noc3C3CC3)oc21 ZINC000152907948 1036343582 /nfs/dbraw/zinc/34/35/82/1036343582.db2.gz LYXQRRODWXPOND-UHFFFAOYSA-N -1 3 312.325 3.868 20 0 DHADHM CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195829448 1036362461 /nfs/dbraw/zinc/36/24/61/1036362461.db2.gz MTODKYSUPNSASN-CYBMUJFWSA-N -1 3 319.426 3.555 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000486699769 1036365663 /nfs/dbraw/zinc/36/56/63/1036365663.db2.gz XTULVGPDLNLDTE-JKSUJKDBSA-N -1 3 319.426 3.593 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N(CC(F)(F)F)C1CC1 ZINC000908270107 1036371977 /nfs/dbraw/zinc/37/19/77/1036371977.db2.gz CABOWALAAOOOBQ-UHFFFAOYSA-N -1 3 309.287 3.712 20 0 DHADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000053457731 1036376193 /nfs/dbraw/zinc/37/61/93/1036376193.db2.gz ZNZWIJUKGZSGHU-AWEZNQCLSA-N -1 3 320.392 3.670 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cc(F)ccc1C ZINC001195914287 1036386005 /nfs/dbraw/zinc/38/60/05/1036386005.db2.gz RCGAVVMCWBXRQX-UHFFFAOYSA-N -1 3 318.373 3.851 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(Cl)c1Cl ZINC000153387221 1036405215 /nfs/dbraw/zinc/40/52/15/1036405215.db2.gz AZLQBLHELPQPLV-SNVBAGLBSA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(Cl)c1Cl ZINC000153387221 1036405237 /nfs/dbraw/zinc/40/52/37/1036405237.db2.gz AZLQBLHELPQPLV-SNVBAGLBSA-N -1 3 305.161 3.573 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)Cc1ccccc1 ZINC001182606452 1036410171 /nfs/dbraw/zinc/41/01/71/1036410171.db2.gz ZKSVKCNDLQKIJJ-UHFFFAOYSA-N -1 3 311.381 3.802 20 0 DHADHM CC(C)COc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000762318961 1036702080 /nfs/dbraw/zinc/70/20/80/1036702080.db2.gz QVDJDMBQBBLMSZ-UHFFFAOYSA-N -1 3 303.333 3.818 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 ZINC000762318740 1036704206 /nfs/dbraw/zinc/70/42/06/1036704206.db2.gz KCAWFMLECSLWKC-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc([O-])c1F ZINC000762319616 1036704230 /nfs/dbraw/zinc/70/42/30/1036704230.db2.gz AEOZBVZGIGRNTP-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(C)c(OC(C)C)c(C)c2)n1 ZINC001197215572 1036710160 /nfs/dbraw/zinc/71/01/60/1036710160.db2.gz AVYBWPXRKDVSQK-UHFFFAOYSA-N -1 3 314.385 3.752 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2F)c([O-])c1 ZINC001184098443 1036742941 /nfs/dbraw/zinc/74/29/41/1036742941.db2.gz BQMNGSKLTAZBQS-LSDHHAIUSA-N -1 3 309.381 3.582 20 0 DHADHM CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC001184214133 1036772939 /nfs/dbraw/zinc/77/29/39/1036772939.db2.gz AGIVHWCSXMYSRC-KYZUINATSA-N -1 3 318.343 3.615 20 0 DHADHM CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001184214133 1036772954 /nfs/dbraw/zinc/77/29/54/1036772954.db2.gz AGIVHWCSXMYSRC-KYZUINATSA-N -1 3 318.343 3.615 20 0 DHADHM CC(C)CO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000153617064 1036910881 /nfs/dbraw/zinc/91/08/81/1036910881.db2.gz IFKMBDHBLSZFBB-UHFFFAOYSA-N -1 3 306.431 3.713 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(F)c(F)c1 ZINC001185057835 1037002524 /nfs/dbraw/zinc/00/25/24/1037002524.db2.gz UXTMAIWABARLCJ-UHFFFAOYSA-N -1 3 307.178 3.616 20 0 DHADHM Cc1ccc(F)c(NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001185221852 1037069685 /nfs/dbraw/zinc/06/96/85/1037069685.db2.gz ZNJXRAHJWROEAX-UHFFFAOYSA-N -1 3 303.215 3.785 20 0 DHADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001185233304 1037076249 /nfs/dbraw/zinc/07/62/49/1037076249.db2.gz UGJLZCSXGJQLBR-SNVBAGLBSA-N -1 3 309.884 3.957 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(C)cc2cc[nH]c21 ZINC001198706249 1037115420 /nfs/dbraw/zinc/11/54/20/1037115420.db2.gz CJWHEALOVRWEMD-UHFFFAOYSA-N -1 3 308.337 3.637 20 0 DHADHM Cc1ccc(CNC(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001185403704 1037126703 /nfs/dbraw/zinc/12/67/03/1037126703.db2.gz WXLDDUYRBKEHAC-UHFFFAOYSA-N -1 3 304.777 3.984 20 0 DHADHM CC(C)(C)c1cnc(COC(=O)c2cccc(Cl)c2[O-])o1 ZINC000775928215 1037178744 /nfs/dbraw/zinc/17/87/44/1037178744.db2.gz ATLUCXDNOAUCJJ-UHFFFAOYSA-N -1 3 309.749 3.688 20 0 DHADHM CCCCc1noc([C@@H](C)OC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775935950 1037196505 /nfs/dbraw/zinc/19/65/05/1037196505.db2.gz RLKAOMYLWXEKDF-SECBINFHSA-N -1 3 324.764 3.689 20 0 DHADHM CCCCCC[C@](C)(CC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850626 1037224579 /nfs/dbraw/zinc/22/45/79/1037224579.db2.gz CCKCOCKENQZXKP-KSSFIOAISA-N -1 3 321.465 3.818 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c1 ZINC000912042112 1037278586 /nfs/dbraw/zinc/27/85/86/1037278586.db2.gz OTRCPOPVBOXBKG-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM C[C@H]1C[C@H](C)CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000915875794 1037385500 /nfs/dbraw/zinc/38/55/00/1037385500.db2.gz XECQLAHRWKPAMY-QWRGUYRKSA-N -1 3 321.804 3.630 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C ZINC000055564347 1037442359 /nfs/dbraw/zinc/44/23/59/1037442359.db2.gz GVFAUTSXRGMNKD-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(F)cc1F ZINC001200932593 1037469869 /nfs/dbraw/zinc/46/98/69/1037469869.db2.gz HHBSXIFDLMCTMK-UHFFFAOYSA-N -1 3 322.336 3.682 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccccc2OC(C)C)n1 ZINC000763209368 1037484969 /nfs/dbraw/zinc/48/49/69/1037484969.db2.gz PMOWQHSIDUKNOT-UHFFFAOYSA-N -1 3 304.415 3.711 20 0 DHADHM O=c1cc(NC(=S)Nc2cccc(Cl)c2)nc(C2CC2)[n-]1 ZINC001201092649 1037537870 /nfs/dbraw/zinc/53/78/70/1037537870.db2.gz JPSHLTMLMLJCLB-UHFFFAOYSA-N -1 3 320.805 3.522 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ccc(F)c(F)c2F)no1 ZINC000184616840 1037745136 /nfs/dbraw/zinc/74/51/36/1037745136.db2.gz OSGCGUPRTTVEQB-UHFFFAOYSA-N -1 3 316.304 3.597 20 0 DHADHM Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c([O-])c1 ZINC000123448657 1037814574 /nfs/dbraw/zinc/81/45/74/1037814574.db2.gz ZTVLUDPCSQOWQI-UHFFFAOYSA-N -1 3 317.429 3.655 20 0 DHADHM CN1CCN(Cc2cccc([O-])c2Cl)[C@H](c2ccccc2)C1 ZINC000328442922 1037820849 /nfs/dbraw/zinc/82/08/49/1037820849.db2.gz HGZOMZRHMHHNHB-INIZCTEOSA-N -1 3 316.832 3.534 20 0 DHADHM CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357978 1037825062 /nfs/dbraw/zinc/82/50/62/1037825062.db2.gz SLOOXODZCPWSCS-ZDUSSCGKSA-N -1 3 313.405 3.578 20 0 DHADHM CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913357978 1037825080 /nfs/dbraw/zinc/82/50/80/1037825080.db2.gz SLOOXODZCPWSCS-ZDUSSCGKSA-N -1 3 313.405 3.578 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccccc1C(=O)c1cccs1 ZINC000123833325 1037870123 /nfs/dbraw/zinc/87/01/23/1037870123.db2.gz SXOFHWQUDMDDLT-UHFFFAOYSA-N -1 3 323.373 3.937 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001188648110 1037943018 /nfs/dbraw/zinc/94/30/18/1037943018.db2.gz CNTIQHFRVLZSAS-OAHLLOKOSA-N -1 3 317.335 3.956 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCCc1ccc2ccccc2c1 ZINC001188660316 1037946299 /nfs/dbraw/zinc/94/62/99/1037946299.db2.gz YUDXBXFJADLUNH-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)c1c[nH]c2ccccc21 ZINC001188659696 1037948300 /nfs/dbraw/zinc/94/83/00/1037948300.db2.gz NSDUJHXTSYMGPT-UHFFFAOYSA-N -1 3 322.408 3.890 20 0 DHADHM CCOc1ccc(OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000916853970 1037995901 /nfs/dbraw/zinc/99/59/01/1037995901.db2.gz RQHKCPSWPFSSHO-UHFFFAOYSA-N -1 3 300.141 3.939 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc4ccncc4c3)n[n-]2)o1 ZINC000916857994 1038001899 /nfs/dbraw/zinc/00/18/99/1038001899.db2.gz ZRUJKSUUJZNSBQ-UHFFFAOYSA-N -1 3 319.320 3.746 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc4ccncc4c3)[n-]n2)o1 ZINC000916857994 1038001925 /nfs/dbraw/zinc/00/19/25/1038001925.db2.gz ZRUJKSUUJZNSBQ-UHFFFAOYSA-N -1 3 319.320 3.746 20 0 DHADHM CCc1ccc(-c2nc(CN[C@H](C)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000571217462 1038109875 /nfs/dbraw/zinc/10/98/75/1038109875.db2.gz GTMRPTDTKFXTTJ-NWDGAFQWSA-N -1 3 318.442 3.571 20 0 DHADHM O=S(=O)([N-]c1ccnc(C2CC2)c1)c1ccc(C2CC2)cc1 ZINC001190480851 1038318854 /nfs/dbraw/zinc/31/88/54/1038318854.db2.gz PMRNFTOWEMIDBZ-UHFFFAOYSA-N -1 3 314.410 3.637 20 0 DHADHM CCCCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1(C)C ZINC000572127603 1038337909 /nfs/dbraw/zinc/33/79/09/1038337909.db2.gz LBQSXQBRJVWKGE-JKSUJKDBSA-N -1 3 323.433 3.702 20 0 DHADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(F)cc1C(F)(F)F ZINC001190753390 1038379322 /nfs/dbraw/zinc/37/93/22/1038379322.db2.gz UAPSUUWSRBKMBG-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM CC[C@H](C)C1CCC(NC(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190918427 1038409241 /nfs/dbraw/zinc/40/92/41/1038409241.db2.gz QYYUCBNWJBCJHF-UNXYVOJBSA-N -1 3 310.825 3.775 20 0 DHADHM CCCOc1ccccc1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001191003360 1038417953 /nfs/dbraw/zinc/41/79/53/1038417953.db2.gz DGUBQDOMCSIGEJ-UHFFFAOYSA-N -1 3 313.353 3.636 20 0 DHADHM Cc1cc([O-])c(NC(=O)Nc2ccccn2)cc1Br ZINC001191340330 1038486125 /nfs/dbraw/zinc/48/61/25/1038486125.db2.gz DYXDCMNJUBWOJV-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191530551 1038514988 /nfs/dbraw/zinc/51/49/88/1038514988.db2.gz WLEDGHCCHBFPIH-UHFFFAOYSA-N -1 3 311.447 3.622 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cncc(-c2cccs2)c1 ZINC001191824911 1038556905 /nfs/dbraw/zinc/55/69/05/1038556905.db2.gz LYNILHWTBLHYRL-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CCOC(=O)c1cc([N-]C(=O)Nc2ccccc2C(C)C)on1 ZINC001192232837 1038613266 /nfs/dbraw/zinc/61/32/66/1038613266.db2.gz WSSDTHGWAWQUOL-UHFFFAOYSA-N -1 3 317.345 3.619 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC3(C2)CC(F)(F)C3)c([O-])c1 ZINC001192315198 1038625100 /nfs/dbraw/zinc/62/51/00/1038625100.db2.gz YXSBLNNGODTWOC-UHFFFAOYSA-N -1 3 309.356 3.561 20 0 DHADHM C[C@H](CCCC(C)(C)O)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192336187 1038630368 /nfs/dbraw/zinc/63/03/68/1038630368.db2.gz SZYDHRQNMLJPMG-CYBMUJFWSA-N -1 3 321.461 3.749 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC001192339797 1038633662 /nfs/dbraw/zinc/63/36/62/1038633662.db2.gz JXAVULBSCRVSNK-CYBMUJFWSA-N -1 3 319.445 3.625 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1nc(C(F)(F)F)cs1 ZINC001192450496 1038661997 /nfs/dbraw/zinc/66/19/97/1038661997.db2.gz VACGHANMWOPTGM-UHFFFAOYSA-N -1 3 320.317 3.678 20 0 DHADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1cocn1 ZINC000591122899 1038760622 /nfs/dbraw/zinc/76/06/22/1038760622.db2.gz NKKJPOXUDNQSTF-UHFFFAOYSA-N -1 3 302.277 3.581 20 0 DHADHM O=c1cc(CSCC[C@H]2CCOC2)nc(-c2ccccc2)[n-]1 ZINC000591401026 1038865698 /nfs/dbraw/zinc/86/56/98/1038865698.db2.gz FCXYIERRFHNDPU-CYBMUJFWSA-N -1 3 316.426 3.509 20 0 DHADHM CN(C)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1F ZINC000058464365 1039175903 /nfs/dbraw/zinc/17/59/03/1039175903.db2.gz HTSPFUKXNKAYFS-VXLYETTFSA-N -1 3 306.768 3.870 20 0 DHADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000603842459 1039179015 /nfs/dbraw/zinc/17/90/15/1039179015.db2.gz GOLPCYVEGKOENU-QGZVFWFLSA-N -1 3 311.381 3.550 20 0 DHADHM CCc1cccc(F)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000669472756 1039413227 /nfs/dbraw/zinc/41/32/27/1039413227.db2.gz SCXKLSKWRDTMLQ-CQSZACIVSA-N -1 3 307.390 3.755 20 0 DHADHM CCCCCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000058971772 1039666193 /nfs/dbraw/zinc/66/61/93/1039666193.db2.gz PBABAKCHVUMASI-JTQLQIEISA-N -1 3 322.430 3.786 20 0 DHADHM CCSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536948 1039920902 /nfs/dbraw/zinc/92/09/02/1039920902.db2.gz JFLXZIMIYCNFHK-UHFFFAOYSA-N -1 3 305.374 3.573 20 0 DHADHM C[C@@H]1CCC[C@H](CCNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606692538 1039956041 /nfs/dbraw/zinc/95/60/41/1039956041.db2.gz XKKWCUJMLYOIFJ-CHWSQXEVSA-N -1 3 308.397 3.547 20 0 DHADHM C[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606692539 1039959273 /nfs/dbraw/zinc/95/92/73/1039959273.db2.gz XKKWCUJMLYOIFJ-OLZOCXBDSA-N -1 3 308.397 3.547 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1OC(C)C ZINC000607616849 1040209101 /nfs/dbraw/zinc/20/91/01/1040209101.db2.gz XXNAYSVATFPSTQ-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM CCc1ccc(-c2nc(CC3(CSC)CC3)no2)c([O-])c1 ZINC000596608688 1040513592 /nfs/dbraw/zinc/51/35/92/1040513592.db2.gz ISYPFPHTGXTTFA-UHFFFAOYSA-N -1 3 304.415 3.690 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(C2CC2)n1 ZINC000455983633 1040672358 /nfs/dbraw/zinc/67/23/58/1040672358.db2.gz BEGZDLZMFVKIKW-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(C2CC2)n1 ZINC000455994664 1040681421 /nfs/dbraw/zinc/68/14/21/1040681421.db2.gz IIKKFBFMOXAESW-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2coc(C(F)(F)F)n2)n1 ZINC000635409353 1040856678 /nfs/dbraw/zinc/85/66/78/1040856678.db2.gz WHLMRHANIXPQMK-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM CC(C)Cc1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000060787281 1041040930 /nfs/dbraw/zinc/04/09/30/1041040930.db2.gz SPZLBSMTYGJZOJ-UHFFFAOYSA-N -1 3 312.365 3.630 20 0 DHADHM Cc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1[O-] ZINC000078932925 185130754 /nfs/dbraw/zinc/13/07/54/185130754.db2.gz BSEZPUMHEBDYSV-KRWDZBQOSA-N -1 3 310.397 3.853 20 0 DHADHM COc1cccc(Cl)c1CN[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000417541912 334962286 /nfs/dbraw/zinc/96/22/86/334962286.db2.gz ZEVVOXMXXKGDHR-RYUDHWBXSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1cc(Br)c(CN[C@H](C)CCCC(=O)[O-])s1 ZINC000417553874 334967575 /nfs/dbraw/zinc/96/75/75/334967575.db2.gz BLPATDNDERDHPK-MRVPVSSYSA-N -1 3 320.252 3.552 20 0 DHADHM CC(C)(CNCc1ccc(F)c(Cl)c1Cl)CC(=O)[O-] ZINC000417550661 334971123 /nfs/dbraw/zinc/97/11/23/334971123.db2.gz WLQGZFXECDCHTE-UHFFFAOYSA-N -1 3 308.180 3.723 20 0 DHADHM CC(C)c1ncc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417566278 334990858 /nfs/dbraw/zinc/99/08/58/334990858.db2.gz QYSLVCFGYCCGRU-DOMZBBRYSA-N -1 3 318.442 3.818 20 0 DHADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000134214285 334992948 /nfs/dbraw/zinc/99/29/48/334992948.db2.gz QJBUUMIAZYPHCY-ONGXEEELSA-N -1 3 317.307 3.697 20 0 DHADHM Cc1ccc(C[C@@H](CNCc2sccc2Cl)C(=O)[O-])cc1 ZINC000417575533 334995084 /nfs/dbraw/zinc/99/50/84/334995084.db2.gz YBORJABKWJXOJH-ZDUSSCGKSA-N -1 3 323.845 3.743 20 0 DHADHM C[C@H](CCC(=O)[O-])CNCc1ccc(F)c(Cl)c1Cl ZINC000417575988 334995273 /nfs/dbraw/zinc/99/52/73/334995273.db2.gz YMWYNNVTKVTFTG-MRVPVSSYSA-N -1 3 308.180 3.723 20 0 DHADHM COc1cc(F)cc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417590061 334999692 /nfs/dbraw/zinc/99/96/92/334999692.db2.gz BEHJSECXUDDJEF-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM Cc1ccc(F)cc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417604443 335004111 /nfs/dbraw/zinc/00/41/11/335004111.db2.gz USOYAZWMLDNWQJ-KRWDZBQOSA-N -1 3 301.361 3.830 20 0 DHADHM CCOc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417604204 335004173 /nfs/dbraw/zinc/00/41/73/335004173.db2.gz UCRBNDIJXNEPDA-GOSISDBHSA-N -1 3 313.397 3.781 20 0 DHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cc(Cl)ccc1F ZINC000417605849 335006572 /nfs/dbraw/zinc/00/65/72/335006572.db2.gz CLSVJXXSORBUGT-OAHLLOKOSA-N -1 3 313.800 3.992 20 0 DHADHM CCCCc1oc2ccccc2c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417611139 335010848 /nfs/dbraw/zinc/01/08/48/335010848.db2.gz AMXRHHDUFYSCEO-ZIAGYGMSSA-N -1 3 313.397 3.894 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000417614780 335008048 /nfs/dbraw/zinc/00/80/48/335008048.db2.gz BTBDEHGUQJRVSC-CQSZACIVSA-N -1 3 318.442 3.852 20 0 DHADHM CC(C)Cc1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417626430 335015760 /nfs/dbraw/zinc/01/57/60/335015760.db2.gz NEALBUKWMHLXLP-AWEZNQCLSA-N -1 3 317.351 3.628 20 0 DHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000016093970 182033512 /nfs/dbraw/zinc/03/35/12/182033512.db2.gz CFNKYDJNDUYDQW-OPRDCNLKSA-N -1 3 307.868 3.505 20 0 DHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1[O-] ZINC000023537462 182363246 /nfs/dbraw/zinc/36/32/46/182363246.db2.gz LHFODEJZFIWHBA-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM CCCc1cccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000417647847 335029863 /nfs/dbraw/zinc/02/98/63/335029863.db2.gz MFJVSCUVRSXOBQ-UHFFFAOYSA-N -1 3 319.351 3.905 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(C)c2[O-])s1 ZINC000106711586 194245490 /nfs/dbraw/zinc/24/54/90/194245490.db2.gz FNFUEDTVCQVNQX-NSHDSACASA-N -1 3 304.415 3.607 20 0 DHADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)cs1 ZINC000063597142 335056756 /nfs/dbraw/zinc/05/67/56/335056756.db2.gz PBMFZIQRINFQOB-UHFFFAOYSA-N -1 3 324.475 3.743 20 0 DHADHM Cc1ccc(C(F)(F)C(=O)[N-]C(C)(C)c2nccs2)cc1 ZINC000272416244 130028617 /nfs/dbraw/zinc/02/86/17/130028617.db2.gz MMOAKAMLUSPJDA-UHFFFAOYSA-N -1 3 310.369 3.595 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000272446000 130031949 /nfs/dbraw/zinc/03/19/49/130031949.db2.gz OYOXYFGWBBDFHM-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCCC[C@H]21 ZINC000272799565 130064935 /nfs/dbraw/zinc/06/49/35/130064935.db2.gz AKLLUVKHZMPZFK-IIYDPXPESA-N -1 3 310.397 3.591 20 0 DHADHM CC(C)c1nc(Cc2noc(-c3ccccc3[O-])n2)cs1 ZINC000273812223 130170669 /nfs/dbraw/zinc/17/06/69/130170669.db2.gz IXBOMCPRKPDVKH-UHFFFAOYSA-N -1 3 301.371 3.613 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccnc(Cl)c2F)c2c([O-])cccc21 ZINC000274383765 130231678 /nfs/dbraw/zinc/23/16/78/130231678.db2.gz NLSYRTHBPMWBLI-VIFPVBQESA-N -1 3 320.751 3.734 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cc(C)oc2C(F)(F)F)s1 ZINC000274499869 130240587 /nfs/dbraw/zinc/24/05/87/130240587.db2.gz KJBNUUBUBQQHAI-UHFFFAOYSA-N -1 3 319.308 3.663 20 0 DHADHM Cc1ccc([O-])c(CNC[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000274979483 130278721 /nfs/dbraw/zinc/27/87/21/130278721.db2.gz JQRJGYWUDKHCQV-ZDUSSCGKSA-N -1 3 310.319 3.531 20 0 DHADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[N-]OCC(C)C ZINC000284110363 131050337 /nfs/dbraw/zinc/05/03/37/131050337.db2.gz UIFCNCISDPKZQP-UHFFFAOYSA-N -1 3 317.364 3.905 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccccc1-c1cccs1 ZINC000287077827 131263111 /nfs/dbraw/zinc/26/31/11/131263111.db2.gz OMKHGRZLLDOOMW-UHFFFAOYSA-N -1 3 306.387 3.505 20 0 DHADHM Cc1cc(NC([O-])=NOCCC(F)(F)F)c(Cl)cc1F ZINC000287623211 131291491 /nfs/dbraw/zinc/29/14/91/131291491.db2.gz UMRXWEKHSRWWQK-UHFFFAOYSA-N -1 3 314.666 3.793 20 0 DHADHM Cc1cc(NC(=O)[N-]OCCC(F)(F)F)c(Cl)cc1F ZINC000287623211 131291492 /nfs/dbraw/zinc/29/14/92/131291492.db2.gz UMRXWEKHSRWWQK-UHFFFAOYSA-N -1 3 314.666 3.793 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000288930993 131345858 /nfs/dbraw/zinc/34/58/58/131345858.db2.gz NAHSMTXWPGOQIK-TXEJJXNPSA-N -1 3 315.335 3.894 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1ccc(Br)o1 ZINC000288966235 131347962 /nfs/dbraw/zinc/34/79/62/131347962.db2.gz WYKMINPWDZIADY-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM Cc1c(C(=O)[N-]c2ncsc2C(C)C)oc2c1C(=O)CCC2 ZINC000288962147 131348579 /nfs/dbraw/zinc/34/85/79/131348579.db2.gz WOXXOZPYEVVXHG-UHFFFAOYSA-N -1 3 318.398 3.939 20 0 DHADHM Cc1nc(C[N-]C(=O)C(C)(F)F)oc1-c1ccc(Cl)cc1 ZINC000289084692 131357553 /nfs/dbraw/zinc/35/75/53/131357553.db2.gz CGIYWLWVJNJSFQ-UHFFFAOYSA-N -1 3 314.719 3.575 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(-c2nccs2)c1 ZINC000291664052 131590617 /nfs/dbraw/zinc/59/06/17/131590617.db2.gz ALXIAYZNFDUVSB-NSHDSACASA-N -1 3 305.403 3.909 20 0 DHADHM O=C([N-]OCC1CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000297284190 132008076 /nfs/dbraw/zinc/00/80/76/132008076.db2.gz ZSLGHQPUDOWFCB-UHFFFAOYSA-N -1 3 303.406 3.530 20 0 DHADHM CCC1CCC(N(C)C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000299113626 132089424 /nfs/dbraw/zinc/08/94/24/132089424.db2.gz XQWQQOURSMYDNG-UHFFFAOYSA-N -1 3 312.413 3.981 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)co1)c1noc2c1CCCCC2 ZINC000299156149 132091854 /nfs/dbraw/zinc/09/18/54/132091854.db2.gz ZAMVMOIGKGGPAW-UHFFFAOYSA-N -1 3 323.352 3.851 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2ccccn2)cc(Cl)c1[O-] ZINC000299252308 132094719 /nfs/dbraw/zinc/09/47/19/132094719.db2.gz DELPFOROSJSCDK-NSHDSACASA-N -1 3 306.793 3.690 20 0 DHADHM CCOc1cc(CN[C@H](C)c2cccnc2)cc(Cl)c1[O-] ZINC000299257349 132095991 /nfs/dbraw/zinc/09/59/91/132095991.db2.gz HTDGCJGBOMTIEV-LLVKDONJSA-N -1 3 306.793 3.690 20 0 DHADHM C[C@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC000340701058 132164125 /nfs/dbraw/zinc/16/41/25/132164125.db2.gz SOJOEZQHHRIKTP-NSHDSACASA-N -1 3 301.773 3.633 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(F)c(Cl)c1Cl ZINC000417708890 335066902 /nfs/dbraw/zinc/06/69/02/335066902.db2.gz SFFLAOPALCDXAU-LLVKDONJSA-N -1 3 320.191 3.866 20 0 DHADHM CCc1nnc([N-]c2cc(C)n(C3CCCCC3)n2)nc1CC ZINC000521322676 434880645 /nfs/dbraw/zinc/88/06/45/434880645.db2.gz DXVIZDCOBHPTOR-UHFFFAOYSA-N -1 3 314.437 3.750 20 0 DHADHM CSc1c(F)cccc1[N-]C(=O)c1csc(NC2CC2)n1 ZINC000617274731 435368142 /nfs/dbraw/zinc/36/81/42/435368142.db2.gz HFQXEFZDSAAXMX-UHFFFAOYSA-N -1 3 323.418 3.831 20 0 DHADHM Cc1cn(C2CCCCC2)nc1[N-]C(=O)c1ocnc1C(F)F ZINC000626429446 435393178 /nfs/dbraw/zinc/39/31/78/435393178.db2.gz PNOBFIOEEPJPIF-UHFFFAOYSA-N -1 3 324.331 3.875 20 0 DHADHM Cc1cccc(C(=O)N2CCSC3(CCCCC3)C2)c1[O-] ZINC000175281753 332884790 /nfs/dbraw/zinc/88/47/90/332884790.db2.gz SJCJKYJAYOKYEX-UHFFFAOYSA-N -1 3 305.443 3.593 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000531147966 332905104 /nfs/dbraw/zinc/90/51/04/332905104.db2.gz QXDVOFQWALVAQJ-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000521384691 331558113 /nfs/dbraw/zinc/55/81/13/331558113.db2.gz LFSCGMSWIRYCQR-UHFFFAOYSA-N -1 3 319.426 3.912 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c1Cl ZINC000522968101 331573427 /nfs/dbraw/zinc/57/34/27/331573427.db2.gz AFWOEGZWXIFFBM-JTQLQIEISA-N -1 3 320.241 3.689 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(F)cc3C)no2)c1 ZINC000387495320 331587266 /nfs/dbraw/zinc/58/72/66/331587266.db2.gz KTOTXMMTXYBFSO-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CCc1cccc(C(=O)N2CCC(OCCC(C)C)CC2)c1[O-] ZINC000530716648 331621043 /nfs/dbraw/zinc/62/10/43/331621043.db2.gz SJUAUEGOANKDQP-UHFFFAOYSA-N -1 3 319.445 3.622 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H](c2ccccc2)C2CC2)c1F ZINC000556883736 331748395 /nfs/dbraw/zinc/74/83/95/331748395.db2.gz WXPDUCYXCYGSDX-AWEZNQCLSA-N -1 3 303.352 3.954 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1[O-] ZINC000558306113 331895460 /nfs/dbraw/zinc/89/54/60/331895460.db2.gz YRZZLDSYEUPDCJ-QGZVFWFLSA-N -1 3 309.409 3.974 20 0 DHADHM COc1cccc2c(C(=O)N(CC(C)C)c3ccccc3)[n-]nc21 ZINC000518253759 332001924 /nfs/dbraw/zinc/00/19/24/332001924.db2.gz KTNDOGBGGDTSAG-UHFFFAOYSA-N -1 3 323.396 3.874 20 0 DHADHM COc1cccc2c(C(=O)N(CC(C)C)c3ccccc3)n[n-]c21 ZINC000518253759 332001927 /nfs/dbraw/zinc/00/19/27/332001927.db2.gz KTNDOGBGGDTSAG-UHFFFAOYSA-N -1 3 323.396 3.874 20 0 DHADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1cccc(F)c1F ZINC000518285437 332006683 /nfs/dbraw/zinc/00/66/83/332006683.db2.gz LUSXALQAJBHQSN-OAHLLOKOSA-N -1 3 319.351 3.531 20 0 DHADHM Cc1ccc(C(C)(C)CN(C)Cc2occc2C(=O)[O-])cc1 ZINC000569370577 332064950 /nfs/dbraw/zinc/06/49/50/332064950.db2.gz HURKEOVAENGZHV-UHFFFAOYSA-N -1 3 301.386 3.696 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H](C)[C@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000410232627 332103626 /nfs/dbraw/zinc/10/36/26/332103626.db2.gz UHMZLUQSSSMOJR-KGLIPLIRSA-N -1 3 319.445 3.794 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000410232628 332103639 /nfs/dbraw/zinc/10/36/39/332103639.db2.gz UHMZLUQSSSMOJR-UONOGXRCSA-N -1 3 319.445 3.794 20 0 DHADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426786361 332153320 /nfs/dbraw/zinc/15/33/20/332153320.db2.gz VAYBRQPDRQWAKQ-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1ccccc1Cl ZINC000426793638 332154113 /nfs/dbraw/zinc/15/41/13/332154113.db2.gz OMROTFXXGQFKSD-QGZVFWFLSA-N -1 3 317.816 3.906 20 0 DHADHM CCC[C@H](C)C[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426792324 332154144 /nfs/dbraw/zinc/15/41/44/332154144.db2.gz IXGPYDFBRUOJBF-IINYFYTJSA-N -1 3 301.789 3.848 20 0 DHADHM CCC[C@@H](C)C[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426792325 332154298 /nfs/dbraw/zinc/15/42/98/332154298.db2.gz IXGPYDFBRUOJBF-QMTHXVAHSA-N -1 3 301.789 3.848 20 0 DHADHM O=C([O-])[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000426795088 332154541 /nfs/dbraw/zinc/15/45/41/332154541.db2.gz WRWCXCLNERYBKK-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM CCc1ccc([C@@H](NCc2cccc3cc[nH]c32)C(=O)[O-])cc1 ZINC000426827263 332155581 /nfs/dbraw/zinc/15/55/81/332155581.db2.gz VRVMLBJMGSRKPE-GOSISDBHSA-N -1 3 308.381 3.646 20 0 DHADHM CCCc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426813327 332156949 /nfs/dbraw/zinc/15/69/49/332156949.db2.gz WFNRRKPFDFSWCR-QGZVFWFLSA-N -1 3 301.361 3.694 20 0 DHADHM CCCSC[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426820821 332157609 /nfs/dbraw/zinc/15/76/09/332157609.db2.gz NNNFESLVSRLJBS-LBPRGKRZSA-N -1 3 322.257 3.679 20 0 DHADHM COC(C)(C)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000426968968 332163060 /nfs/dbraw/zinc/16/30/60/332163060.db2.gz QCYBBWHXCPMWOT-UHFFFAOYSA-N -1 3 313.397 3.737 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(Cl)c1 ZINC000536373861 332234922 /nfs/dbraw/zinc/23/49/22/332234922.db2.gz GMOPSKNAMUGKTR-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM O=C([O-])c1cnoc1CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000564661062 332263605 /nfs/dbraw/zinc/26/36/05/332263605.db2.gz MBBIDFODCOSTNU-QGZVFWFLSA-N -1 3 322.364 3.863 20 0 DHADHM CC1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000564669529 332298136 /nfs/dbraw/zinc/29/81/36/332298136.db2.gz RIGHCGBYNCZHHD-GUSCCFJKSA-N -1 3 311.784 3.868 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000560610949 332369399 /nfs/dbraw/zinc/36/93/99/332369399.db2.gz UXKCMQWVJRKMPS-RBSFLKMASA-N -1 3 305.393 3.754 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(-c3ncco3)cc2C)c1[O-] ZINC000560688119 332377735 /nfs/dbraw/zinc/37/77/35/332377735.db2.gz CPCTVJAWBLAJIG-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(C)(CC(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000560803116 332387591 /nfs/dbraw/zinc/38/75/91/332387591.db2.gz SDIASFWYGXICRW-UHFFFAOYSA-N -1 3 322.149 3.775 20 0 DHADHM C[C@H]1CC[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000408245928 332387767 /nfs/dbraw/zinc/38/77/67/332387767.db2.gz JMIHUGIIMDHONK-RYUDHWBXSA-N -1 3 311.385 3.702 20 0 DHADHM COc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1 ZINC000582127331 332388867 /nfs/dbraw/zinc/38/88/67/332388867.db2.gz QRGIPHVSFNTSQB-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM O=S(=O)([N-]Cc1cc2ccccc2s1)c1ccccc1F ZINC000560865133 332390748 /nfs/dbraw/zinc/39/07/48/332390748.db2.gz CNNXHJXNWKVMLE-UHFFFAOYSA-N -1 3 321.398 3.519 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)C/C(C)=C\c2ccccc2)c1 ZINC000427570300 332452695 /nfs/dbraw/zinc/45/26/95/332452695.db2.gz TVACLYIRYOONEW-KAMYIIQDSA-N -1 3 311.381 3.576 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000317870955 332498283 /nfs/dbraw/zinc/49/82/83/332498283.db2.gz XACAPPWHRTZMLT-NSHDSACASA-N -1 3 301.342 3.527 20 0 DHADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000426521290 332542849 /nfs/dbraw/zinc/54/28/49/332542849.db2.gz HQRIVLGYPVWPRI-TXEJJXNPSA-N -1 3 301.308 3.585 20 0 DHADHM O=C(c1ccc2ccccc2n1)N1CCCc2cccc([O-])c21 ZINC000170873038 332638262 /nfs/dbraw/zinc/63/82/62/332638262.db2.gz WUUNQFJICKZMCR-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448752861 332658066 /nfs/dbraw/zinc/65/80/66/332658066.db2.gz XYNWAUOTIVOMSM-KRWDZBQOSA-N -1 3 313.372 3.746 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000159874564 332719676 /nfs/dbraw/zinc/71/96/76/332719676.db2.gz CSYCRKNHYKFSGB-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM Cc1nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000570169559 332720688 /nfs/dbraw/zinc/72/06/88/332720688.db2.gz ZRVGWUXRUHZMAQ-ZJUUUORDSA-N -1 3 322.792 3.502 20 0 DHADHM CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C(C)C ZINC000179453022 333025180 /nfs/dbraw/zinc/02/51/80/333025180.db2.gz HJAKMVGWLFSFQI-UHFFFAOYSA-N -1 3 313.397 3.842 20 0 DHADHM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1 ZINC000182624863 333043703 /nfs/dbraw/zinc/04/37/03/333043703.db2.gz BSJCPEVZIFNORP-QGZVFWFLSA-N -1 3 311.381 3.692 20 0 DHADHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])C(C)(F)F ZINC000580280577 333055233 /nfs/dbraw/zinc/05/52/33/333055233.db2.gz DNFMSAOWEDRZQV-UHFFFAOYSA-N -1 3 322.149 3.775 20 0 DHADHM CCc1cc(C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182139701 333149255 /nfs/dbraw/zinc/14/92/55/333149255.db2.gz NXNDHCFVXWRTNK-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM CCc1oc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1C ZINC000182134048 333149291 /nfs/dbraw/zinc/14/92/91/333149291.db2.gz DYHWBFHJUMMTOA-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM CCc1ccc(CCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000522684747 333164691 /nfs/dbraw/zinc/16/46/91/333164691.db2.gz VHDBSRHVHVOTST-UHFFFAOYSA-N -1 3 310.426 3.764 20 0 DHADHM CCO[N-]C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC000182928818 333181634 /nfs/dbraw/zinc/18/16/34/333181634.db2.gz ANNOWCNYSFRQEE-UHFFFAOYSA-N -1 3 301.346 3.509 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1scnc1C1CCCC1 ZINC000184162381 333192818 /nfs/dbraw/zinc/19/28/18/333192818.db2.gz WKCQYLSRLPOHSV-UHFFFAOYSA-N -1 3 306.362 3.898 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000185497977 333209293 /nfs/dbraw/zinc/20/92/93/333209293.db2.gz QEMXACZAHBXZOC-ROUUACIJSA-N -1 3 301.361 3.541 20 0 DHADHM Cc1ocnc1CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000497496098 333256706 /nfs/dbraw/zinc/25/67/06/333256706.db2.gz SVSJKMKXILVTJQ-UHFFFAOYSA-N -1 3 316.401 3.865 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)c1ccc(F)c(F)c1 ZINC000497691815 333278835 /nfs/dbraw/zinc/27/88/35/333278835.db2.gz KDBFHWVLCFMGRK-VIFPVBQESA-N -1 3 313.373 3.915 20 0 DHADHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497808090 333294375 /nfs/dbraw/zinc/29/43/75/333294375.db2.gz FWIKDDPXJHIBNY-GXTWGEPZSA-N -1 3 322.424 3.888 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H](C)c3ccccc32)c1[O-] ZINC000183924300 333311141 /nfs/dbraw/zinc/31/11/41/333311141.db2.gz SWKSLGVZFGYUGG-CYBMUJFWSA-N -1 3 311.381 3.945 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H](C)c3ccccc32)c1[O-] ZINC000183924319 333311544 /nfs/dbraw/zinc/31/15/44/333311544.db2.gz SWKSLGVZFGYUGG-ZDUSSCGKSA-N -1 3 311.381 3.945 20 0 DHADHM CCc1cccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c1[O-] ZINC000531197663 333330495 /nfs/dbraw/zinc/33/04/95/333330495.db2.gz TXPNRRPPTBADLO-KRWDZBQOSA-N -1 3 312.413 3.519 20 0 DHADHM CCN(CC)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531373714 333347230 /nfs/dbraw/zinc/34/72/30/333347230.db2.gz NYDHDANWUYSVAQ-UHFFFAOYSA-N -1 3 302.349 3.630 20 0 DHADHM Cc1cccc(N(C)C(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188869948 333360413 /nfs/dbraw/zinc/36/04/13/333360413.db2.gz RGBRTNZCHUNTBO-UHFFFAOYSA-N -1 3 309.287 3.996 20 0 DHADHM CC(C)(C)c1cc(NC(=O)c2cccc([O-])c2)n(C(C)(C)C)n1 ZINC000182308103 333458990 /nfs/dbraw/zinc/45/89/90/333458990.db2.gz ZTENHOIHZYURQZ-UHFFFAOYSA-N -1 3 315.417 3.894 20 0 DHADHM C[C@@H]1CC[C@](CNCc2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000426640718 333510862 /nfs/dbraw/zinc/51/08/62/333510862.db2.gz UJUVZMUSDQLHIA-BDJLRTHQSA-N -1 3 313.800 3.850 20 0 DHADHM CCCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426683209 333521554 /nfs/dbraw/zinc/52/15/54/333521554.db2.gz PQZYKXGVWTWHMG-INIZCTEOSA-N -1 3 319.426 3.843 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1[O-] ZINC000563291406 333522926 /nfs/dbraw/zinc/52/29/26/333522926.db2.gz FWHVITKWPKBKEZ-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(F)cc2F)c1[O-] ZINC000531775382 333556330 /nfs/dbraw/zinc/55/63/30/333556330.db2.gz VMRLJLFIGMWYQC-UHFFFAOYSA-N -1 3 311.715 3.813 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(OCC3CCCCC3)CC2)n1 ZINC000534348339 333579280 /nfs/dbraw/zinc/57/92/80/333579280.db2.gz GECHBQAHVLXNMI-UHFFFAOYSA-N -1 3 318.461 3.657 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)ccc1[O-] ZINC000571155490 333671380 /nfs/dbraw/zinc/67/13/80/333671380.db2.gz BNFXWJOBQYMSGY-UHTWSYAYSA-N -1 3 300.358 3.745 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1[O-] ZINC000412107227 333729848 /nfs/dbraw/zinc/72/98/48/333729848.db2.gz JOCHNKGQLCWGFK-ZWKOTPCHSA-N -1 3 323.392 3.661 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1[O-] ZINC000412157758 333733980 /nfs/dbraw/zinc/73/39/80/333733980.db2.gz LJTUOUCCMQKCCQ-QWHCGFSZSA-N -1 3 311.381 3.517 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1[O-] ZINC000412157760 333734081 /nfs/dbraw/zinc/73/40/81/333734081.db2.gz LJTUOUCCMQKCCQ-STQMWFEESA-N -1 3 311.381 3.517 20 0 DHADHM Clc1cccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000571442323 333790230 /nfs/dbraw/zinc/79/02/30/333790230.db2.gz KQYCSEPSNABRFI-UHFFFAOYSA-N -1 3 323.743 3.842 20 0 DHADHM CC(C)(C)c1cc2c(ncnc2NCc2ncccc2[O-])s1 ZINC000414202900 333913838 /nfs/dbraw/zinc/91/38/38/333913838.db2.gz GHPHUSPZLJTAHN-UHFFFAOYSA-N -1 3 314.414 3.702 20 0 DHADHM Cc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436900928 334015718 /nfs/dbraw/zinc/01/57/18/334015718.db2.gz FLNVUYPGAXSYOB-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM Cc1ccc([O-])c(CN[C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000272115137 334030978 /nfs/dbraw/zinc/03/09/78/334030978.db2.gz YNTNAXMFZYZQNN-AWEZNQCLSA-N -1 3 318.804 3.753 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CN(C)CCCC(=O)[O-])o1 ZINC000414635100 334049275 /nfs/dbraw/zinc/04/92/75/334049275.db2.gz FWUGDNLHMAUQMK-UHFFFAOYSA-N -1 3 305.349 3.691 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN[C@@H](C)CC(=O)[O-] ZINC000414641087 334049961 /nfs/dbraw/zinc/04/99/61/334049961.db2.gz SIRPBZRDQONHDQ-JTQLQIEISA-N -1 3 301.839 3.793 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000414640755 334050866 /nfs/dbraw/zinc/05/08/66/334050866.db2.gz SASVBVGVRMFSCE-AWEZNQCLSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([O-])c1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000414642379 334051474 /nfs/dbraw/zinc/05/14/74/334051474.db2.gz VTIQZWRHCQNSBI-AWEZNQCLSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([O-])CCCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000414671835 334065361 /nfs/dbraw/zinc/06/53/61/334065361.db2.gz BMAJVOPTMAJAPF-UHFFFAOYSA-N -1 3 309.312 3.569 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000528667516 334135160 /nfs/dbraw/zinc/13/51/60/334135160.db2.gz JOPFMAGECCBPBB-IINYFYTJSA-N -1 3 324.218 3.559 20 0 DHADHM CC(C)Oc1ccc([N-]C(=O)c2nnc(C(C)C)s2)c(F)c1 ZINC000283023727 334138952 /nfs/dbraw/zinc/13/89/52/334138952.db2.gz MFNIWOICCDKVBG-UHFFFAOYSA-N -1 3 323.393 3.840 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1F ZINC000293742759 334201723 /nfs/dbraw/zinc/20/17/23/334201723.db2.gz XKEZLYJEZVDOKI-DYVFJYSZSA-N -1 3 319.351 3.680 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1F ZINC000293742753 334201754 /nfs/dbraw/zinc/20/17/54/334201754.db2.gz XKEZLYJEZVDOKI-CXAGYDPISA-N -1 3 319.351 3.680 20 0 DHADHM O=C(N[C@H]1CC=CCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189706981 334256509 /nfs/dbraw/zinc/25/65/09/334256509.db2.gz ZGZIQKOZZJPOEB-VIFPVBQESA-N -1 3 307.806 3.630 20 0 DHADHM O=C(N[C@@H]1CC=CCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189707000 334256512 /nfs/dbraw/zinc/25/65/12/334256512.db2.gz ZGZIQKOZZJPOEB-SECBINFHSA-N -1 3 307.806 3.630 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000048447722 334290397 /nfs/dbraw/zinc/29/03/97/334290397.db2.gz YJYLYYCULHYFCV-VXGBXAGGSA-N -1 3 301.477 3.631 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1cnc(-c2ncccn2)s1 ZINC000187867589 334304194 /nfs/dbraw/zinc/30/41/94/334304194.db2.gz YXKHAUBCKGKXON-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(CCOc1cccc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000534704893 334328569 /nfs/dbraw/zinc/32/85/69/334328569.db2.gz JJKRDRZDAYETQQ-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM CC(C)c1ccc(OCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000534711290 334331685 /nfs/dbraw/zinc/33/16/85/334331685.db2.gz VUUHRLOZNPSLMU-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC12CCCCC2 ZINC000534865322 334341823 /nfs/dbraw/zinc/34/18/23/334341823.db2.gz IAZOIYNDKHHQLE-UHFFFAOYSA-N -1 3 307.821 3.913 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2cccnc2)s1 ZINC000534912421 334345967 /nfs/dbraw/zinc/34/59/67/334345967.db2.gz GEJNIDVQBMJQDC-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CC(C)c1ccccc1OCC(=O)Nc1cccc([O-])c1F ZINC000534944957 334349940 /nfs/dbraw/zinc/34/99/40/334349940.db2.gz OQDYEUQCVGXUQG-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(C(F)F)cc1 ZINC000340796614 334386158 /nfs/dbraw/zinc/38/61/58/334386158.db2.gz XRFKYMBTEBPZDW-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM CCCCc1ccc(NC(=O)c2c[n-]c3ccncc3c2=O)cc1 ZINC000340974266 334401016 /nfs/dbraw/zinc/40/10/16/334401016.db2.gz ZWJTZRKCWXDMHK-UHFFFAOYSA-N -1 3 321.380 3.518 20 0 DHADHM O=C(NC1CC(c2ccccc2Cl)C1)c1cccc([O-])c1 ZINC000341127611 334411468 /nfs/dbraw/zinc/41/14/68/334411468.db2.gz TXQQWUQYKDMYJP-UHFFFAOYSA-N -1 3 301.773 3.722 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1c(F)c(F)cc(F)c1F ZINC000341587382 334459102 /nfs/dbraw/zinc/45/91/02/334459102.db2.gz QKGLKDLYZOIMBO-UHFFFAOYSA-N -1 3 310.206 3.637 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000342748405 334566306 /nfs/dbraw/zinc/56/63/06/334566306.db2.gz ZRNVJYOQHBBJEB-GFCCVEGCSA-N -1 3 319.763 3.814 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000416123830 334652829 /nfs/dbraw/zinc/65/28/29/334652829.db2.gz RPLBMTYVJIPBNB-UHFFFAOYSA-N -1 3 318.398 3.843 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3cccnc32)c([O-])c1 ZINC000425328219 334769804 /nfs/dbraw/zinc/76/98/04/334769804.db2.gz XHOWLXAVRUPXBK-CQSZACIVSA-N -1 3 310.397 3.753 20 0 DHADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189744811 334910161 /nfs/dbraw/zinc/91/01/61/334910161.db2.gz YBPZJUANWZPDNN-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CCN(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000343803633 335194101 /nfs/dbraw/zinc/19/41/01/335194101.db2.gz MFIBPBIRRQQUGA-INIZCTEOSA-N -1 3 318.804 3.677 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2ccsc21 ZINC000344006636 335212132 /nfs/dbraw/zinc/21/21/32/335212132.db2.gz AYDIWQQXEOAPMN-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)n1 ZINC000344367192 335244695 /nfs/dbraw/zinc/24/46/95/335244695.db2.gz IAEIJZNXJFFHLW-IUODEOHRSA-N -1 3 315.417 3.619 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)[C@@H](C)C2CC2)n1 ZINC000344369399 335245101 /nfs/dbraw/zinc/24/51/01/335245101.db2.gz QDHPCIRORIAJGR-AWEZNQCLSA-N -1 3 311.429 3.545 20 0 DHADHM CC(C)[C@@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000344991230 335289810 /nfs/dbraw/zinc/28/98/10/335289810.db2.gz XQQVWVSXRHHXSA-RDJZCZTQSA-N -1 3 320.396 3.572 20 0 DHADHM Cc1ccc(F)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1F ZINC000344975568 335292684 /nfs/dbraw/zinc/29/26/84/335292684.db2.gz KVZILTSUQSLOGI-UHFFFAOYSA-N -1 3 320.343 3.622 20 0 DHADHM Cc1cccc(C)c1NCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345158395 335302376 /nfs/dbraw/zinc/30/23/76/335302376.db2.gz KQDAOHFSGZDFBU-ZDUSSCGKSA-N -1 3 324.424 3.961 20 0 DHADHM CCO[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)C(C)C ZINC000345129217 335303860 /nfs/dbraw/zinc/30/38/60/335303860.db2.gz IZELBJSGTDITRD-CZUORRHYSA-N -1 3 305.418 3.684 20 0 DHADHM COc1cc(C)c(NC(=O)c2cc(C)cc(OC)c2[O-])cc1C ZINC000444627479 338477344 /nfs/dbraw/zinc/47/73/44/338477344.db2.gz DOEKIPHGGRVGQU-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)c2ccc(F)cc2F)n1 ZINC000345925518 335361192 /nfs/dbraw/zinc/36/11/92/335361192.db2.gz KADRLICABWNLAV-VIFPVBQESA-N -1 3 306.312 3.506 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC=C(c2ccccc2F)C1 ZINC000345955496 335363705 /nfs/dbraw/zinc/36/37/05/335363705.db2.gz LXWJKRKIKBIARL-UHFFFAOYSA-N -1 3 317.747 3.724 20 0 DHADHM CCc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000345969174 335364727 /nfs/dbraw/zinc/36/47/27/335364727.db2.gz FPQALJQFHCTBBD-UHFFFAOYSA-N -1 3 308.378 3.512 20 0 DHADHM CC(C)n1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C1CC1 ZINC000345971717 335365058 /nfs/dbraw/zinc/36/50/58/335365058.db2.gz KGGQXKKTAVDYJH-UHFFFAOYSA-N -1 3 319.792 3.953 20 0 DHADHM CC[C@H](Sc1ccccc1)C(=O)Nc1nc(C)ccc1[O-] ZINC000345986250 335367915 /nfs/dbraw/zinc/36/79/15/335367915.db2.gz NVXPFNJKWAKURI-AWEZNQCLSA-N -1 3 302.399 3.605 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(SC3CC3)cc2)n1 ZINC000346005461 335369219 /nfs/dbraw/zinc/36/92/19/335369219.db2.gz YKBUIFJYHDSCCN-UHFFFAOYSA-N -1 3 300.383 3.602 20 0 DHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1nc(C)cs1 ZINC000346032070 335373356 /nfs/dbraw/zinc/37/33/56/335373356.db2.gz HQSTXGXUTSCBNN-UHFFFAOYSA-N -1 3 322.405 3.672 20 0 DHADHM Cc1ncc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000346785508 335440774 /nfs/dbraw/zinc/44/07/74/335440774.db2.gz CCXJFDKSCVUZDA-HNNXBMFYSA-N -1 3 323.799 3.770 20 0 DHADHM Cc1ccc(-c2cnc([N-]C(=O)c3csnn3)s2)c(C)c1 ZINC000347840991 335527814 /nfs/dbraw/zinc/52/78/14/335527814.db2.gz XVOWVWVOJDDUMC-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1ccoc1 ZINC000347839683 335531894 /nfs/dbraw/zinc/53/18/94/335531894.db2.gz DBRYJMSQBSNSSG-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM CC(C)c1ccc(CN(C(=O)c2csc(=O)[n-]2)C2CC2)cc1 ZINC000348976770 335626276 /nfs/dbraw/zinc/62/62/76/335626276.db2.gz YMJGDSNGZKFOQC-UHFFFAOYSA-N -1 3 316.426 3.777 20 0 DHADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000349086991 335633957 /nfs/dbraw/zinc/63/39/57/335633957.db2.gz WZFYCBXIXXPHLT-QGZVFWFLSA-N -1 3 314.360 3.754 20 0 DHADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1Cl ZINC000349852837 335704135 /nfs/dbraw/zinc/70/41/35/335704135.db2.gz KNBOZUMMQYGEGZ-LBPRGKRZSA-N -1 3 310.806 3.629 20 0 DHADHM COc1cc(C)cc(C(=O)N(C)c2cccc(SC)c2)c1[O-] ZINC000094090106 335712656 /nfs/dbraw/zinc/71/26/56/335712656.db2.gz DGXPMQQVNQLTOM-UHFFFAOYSA-N -1 3 317.410 3.708 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc2c(s1)CCCCCC2 ZINC000012526820 335815766 /nfs/dbraw/zinc/81/57/66/335815766.db2.gz KCBJCYGQSYOJHL-UHFFFAOYSA-N -1 3 302.399 3.760 20 0 DHADHM CCc1cccc(-c2nc(C3(OC)CCCCC3)no2)c1[O-] ZINC000519685589 335889375 /nfs/dbraw/zinc/88/93/75/335889375.db2.gz HPEMIEOGYDHEHO-UHFFFAOYSA-N -1 3 302.374 3.810 20 0 DHADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccsc1 ZINC000350941369 335960350 /nfs/dbraw/zinc/96/03/50/335960350.db2.gz NKLOESWSRLKTEF-UHFFFAOYSA-N -1 3 323.370 3.948 20 0 DHADHM Cc1cc2sc([N-]C(=O)c3ncc(F)cc3F)nc2c(C)c1 ZINC000192041604 336016878 /nfs/dbraw/zinc/01/68/78/336016878.db2.gz BCYYMEKSZGRPPI-UHFFFAOYSA-N -1 3 319.336 3.839 20 0 DHADHM Cc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000351141359 336017408 /nfs/dbraw/zinc/01/74/08/336017408.db2.gz MUIUHMGCXWFHGM-UHFFFAOYSA-N -1 3 304.777 3.713 20 0 DHADHM O=C(Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1)C1CC1 ZINC000351820187 336070248 /nfs/dbraw/zinc/07/02/48/336070248.db2.gz DFZRYWMQFAHBTG-UHFFFAOYSA-N -1 3 318.323 3.631 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1coc(C2CCCC2)n1 ZINC000332002332 336155717 /nfs/dbraw/zinc/15/57/17/336155717.db2.gz XYRVPQAESIYLLS-UHFFFAOYSA-N -1 3 306.749 3.944 20 0 DHADHM Cc1ccc(NC(=O)c2coc(C3CCCCC3)n2)c([O-])c1 ZINC000332636878 336177312 /nfs/dbraw/zinc/17/73/12/336177312.db2.gz GQKJDYPZHUHQSB-UHFFFAOYSA-N -1 3 300.358 3.989 20 0 DHADHM COc1c(F)cc(F)cc1NCc1c(F)ccc([O-])c1F ZINC000351934574 336181028 /nfs/dbraw/zinc/18/10/28/336181028.db2.gz IHPCMPPFHPIPFZ-UHFFFAOYSA-N -1 3 301.239 3.569 20 0 DHADHM CN(C)c1cccc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)c1 ZINC000351997274 336187295 /nfs/dbraw/zinc/18/72/95/336187295.db2.gz SWQUEYZTQLJJNT-LJQANCHMSA-N -1 3 314.404 3.934 20 0 DHADHM C[C@@H]1CCc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)sc2C1 ZINC000352004925 336188050 /nfs/dbraw/zinc/18/80/50/336188050.db2.gz BJGCOZKKAQUMNY-ONRRBMGISA-N -1 3 313.426 3.811 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000352005522 336188222 /nfs/dbraw/zinc/18/82/22/336188222.db2.gz YCAMSAVPPOGBLI-UHFFFAOYSA-N -1 3 307.315 3.974 20 0 DHADHM O=c1cc(C=Cc2sccc2Cl)nc(-c2ccncc2)[n-]1 ZINC000352021869 336189812 /nfs/dbraw/zinc/18/98/12/336189812.db2.gz SKQDSAOVFSEBDC-UPHRSURJSA-N -1 3 315.785 3.717 20 0 DHADHM COc1ccc(NC(=O)CCSCc2ccccc2)c([O-])c1 ZINC000352065738 336192964 /nfs/dbraw/zinc/19/29/64/336192964.db2.gz OTBQTLDLRJSSRP-UHFFFAOYSA-N -1 3 317.410 3.663 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2cccc3cccnc32)c1F ZINC000352096499 336194543 /nfs/dbraw/zinc/19/45/43/336194543.db2.gz GWAZZIIULLZGSD-UHFFFAOYSA-N -1 3 314.335 3.551 20 0 DHADHM O=C(NCc1nccc2ccccc21)c1cc([O-])ccc1Cl ZINC000352140838 336196444 /nfs/dbraw/zinc/19/64/44/336196444.db2.gz ORLFBWICWOLVNR-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM COCCCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000352366348 336214478 /nfs/dbraw/zinc/21/44/78/336214478.db2.gz DOEXHOVLRTWXHV-GOSISDBHSA-N -1 3 313.397 3.680 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2cc(F)c(F)cc21 ZINC000352773751 336235716 /nfs/dbraw/zinc/23/57/16/336235716.db2.gz CHNHJPOXPOPQSL-UHFFFAOYSA-N -1 3 309.699 3.527 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(C2CC2)cn1 ZINC000532382321 336244520 /nfs/dbraw/zinc/24/45/20/336244520.db2.gz ZJGGJRKGRBYDPX-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2c(F)cc(F)cc2F)n1 ZINC000532634601 336263069 /nfs/dbraw/zinc/26/30/69/336263069.db2.gz XDOVQBCYEXPSLR-ZETCQYMHSA-N -1 3 300.305 3.761 20 0 DHADHM c1cc(C2CC2)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)s1 ZINC000580390081 336264290 /nfs/dbraw/zinc/26/42/90/336264290.db2.gz PIPSYXLNBIHGNE-UHFFFAOYSA-N -1 3 309.354 3.614 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc2cc[nH]c21 ZINC000527047455 336280891 /nfs/dbraw/zinc/28/08/91/336280891.db2.gz KIOKTJBQECZAOZ-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM COc1cc(F)c([C@@H](C)[N-]c2nc(C(C)C)no2)cc1OC ZINC000301320523 336300496 /nfs/dbraw/zinc/30/04/96/336300496.db2.gz FZNDVEPFZWWNAY-SECBINFHSA-N -1 3 309.341 3.522 20 0 DHADHM COc1cccc(-c2noc([N-]Cc3cc4ccccc4[nH]3)n2)c1 ZINC000301373205 336303192 /nfs/dbraw/zinc/30/31/92/336303192.db2.gz UKUAZHCAZPZTDF-UHFFFAOYSA-N -1 3 320.352 3.839 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC3(C)C)nc2)n1 ZINC000301552669 336314473 /nfs/dbraw/zinc/31/44/73/336314473.db2.gz MPUAFOPDHCEWCI-AWEZNQCLSA-N -1 3 312.417 3.797 20 0 DHADHM [O-]c1ccc(Sc2nccc(OCc3ccccc3)n2)cc1 ZINC000301888463 336336339 /nfs/dbraw/zinc/33/63/39/336336339.db2.gz RPFRLLKLIPGKIP-UHFFFAOYSA-N -1 3 310.378 3.912 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCC3CC3)nc2)n1 ZINC000302214582 336354405 /nfs/dbraw/zinc/35/44/05/336354405.db2.gz GQCDXSDQOOOVCQ-GFCCVEGCSA-N -1 3 312.417 3.797 20 0 DHADHM CCSc1ccc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000582257750 336396602 /nfs/dbraw/zinc/39/66/02/336396602.db2.gz NMQZMZPCMYPJLI-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCC(OC(F)F)CC1 ZINC000354220673 336463806 /nfs/dbraw/zinc/46/38/06/336463806.db2.gz SGTHZMRDKUCUEK-UHFFFAOYSA-N -1 3 319.735 3.782 20 0 DHADHM Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)ccc1[O-] ZINC000354381257 336468855 /nfs/dbraw/zinc/46/88/55/336468855.db2.gz FGFQIEHFGLTGIY-KRWDZBQOSA-N -1 3 312.413 3.797 20 0 DHADHM Cc1cc(C(=O)N2CCSC[C@@H]2c2ccccc2)ccc1[O-] ZINC000354416012 336470025 /nfs/dbraw/zinc/47/00/25/336470025.db2.gz ZPTINZLBSIPCBC-MRXNPFEDSA-N -1 3 313.422 3.631 20 0 DHADHM COCc1ncc(C(=O)[N-]c2c(C)cccc2SC)s1 ZINC000354880212 336486155 /nfs/dbraw/zinc/48/61/55/336486155.db2.gz IHUVPCPTEBJMGG-UHFFFAOYSA-N -1 3 308.428 3.572 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000354973708 336489535 /nfs/dbraw/zinc/48/95/35/336489535.db2.gz BJLBYHWJQJYCHL-UHFFFAOYSA-N -1 3 319.361 3.973 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000355293139 336502951 /nfs/dbraw/zinc/50/29/51/336502951.db2.gz TVEGVTVEQJWSBH-UHFFFAOYSA-N -1 3 306.387 3.786 20 0 DHADHM [O-]c1ccc(Br)c(CNc2cccc3c2CCO3)c1 ZINC000355484830 336511302 /nfs/dbraw/zinc/51/13/02/336511302.db2.gz KQMCTGQRSNERKL-UHFFFAOYSA-N -1 3 320.186 3.702 20 0 DHADHM CCc1nc(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000356466307 336550839 /nfs/dbraw/zinc/55/08/39/336550839.db2.gz BKIMZOMDCITUOF-UHFFFAOYSA-N -1 3 322.405 3.820 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000357429081 336584919 /nfs/dbraw/zinc/58/49/19/336584919.db2.gz IQDGBQJHNOCLNU-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357491881 336587559 /nfs/dbraw/zinc/58/75/59/336587559.db2.gz DQIIYIYDSGFTLW-MEDUHNTESA-N -1 3 319.788 3.552 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193272402 336696099 /nfs/dbraw/zinc/69/60/99/336696099.db2.gz JVYQLFZGNNUJJY-SNVBAGLBSA-N -1 3 305.761 3.584 20 0 DHADHM Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c2cc(F)ccc21 ZINC000360228344 336705376 /nfs/dbraw/zinc/70/53/76/336705376.db2.gz SCBWVRYKCZVBSJ-UHFFFAOYSA-N -1 3 318.735 3.929 20 0 DHADHM CCOCc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000361396401 336755191 /nfs/dbraw/zinc/75/51/91/336755191.db2.gz TYYSLTKGVXLNAR-UHFFFAOYSA-N -1 3 300.383 3.909 20 0 DHADHM Cc1csc(N(C)C(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000362766865 336811227 /nfs/dbraw/zinc/81/12/27/336811227.db2.gz UKPHKIZNEJZMKG-UHFFFAOYSA-N -1 3 311.819 3.924 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cc(Cl)sc2[nH]1 ZINC000362938667 336815606 /nfs/dbraw/zinc/81/56/06/336815606.db2.gz PHWLAOCBDNZUEE-UHFFFAOYSA-N -1 3 324.764 3.658 20 0 DHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000363251643 336820783 /nfs/dbraw/zinc/82/07/83/336820783.db2.gz IASRFPRIRIDNFI-IIYDPXPESA-N -1 3 311.381 3.505 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)CC(C)C)c2)n1 ZINC000369932605 336874524 /nfs/dbraw/zinc/87/45/24/336874524.db2.gz IOQCBMLLKJLJTG-GFCCVEGCSA-N -1 3 313.401 3.778 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C3CC[C@H](C)C3)c2)n1 ZINC000370283597 336881727 /nfs/dbraw/zinc/88/17/27/336881727.db2.gz QYJGOEQOJAGZQA-LQELWAHVSA-N -1 3 323.396 3.843 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(C2CCC2)cn1 ZINC000582380806 336952304 /nfs/dbraw/zinc/95/23/04/336952304.db2.gz OURSELCRCBHHMU-UHFFFAOYSA-N -1 3 316.788 3.889 20 0 DHADHM CCOc1cc(-c2noc([C@H]3C[C@H]3c3ccco3)n2)ccc1[O-] ZINC000373216015 336953233 /nfs/dbraw/zinc/95/32/33/336953233.db2.gz MBDWGULIGZXUCU-NEPJUHHUSA-N -1 3 312.325 3.705 20 0 DHADHM CC[C@H]1CN(C(=O)c2csc(=O)[n-]2)CC[C@H]1c1ccccc1 ZINC000376146519 337028323 /nfs/dbraw/zinc/02/83/23/337028323.db2.gz DZQWKRSPMRAGFG-GXTWGEPZSA-N -1 3 316.426 3.505 20 0 DHADHM COC(=O)c1cnc(S[C@H]2CCCCc3ccccc32)[n-]1 ZINC000193542814 337077918 /nfs/dbraw/zinc/07/79/18/337077918.db2.gz YCZIXCQUUMHQKK-AWEZNQCLSA-N -1 3 302.399 3.756 20 0 DHADHM COc1ccsc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000175869133 337148636 /nfs/dbraw/zinc/14/86/36/337148636.db2.gz HFLGIKAVPAPYCE-UHFFFAOYSA-N -1 3 300.339 3.664 20 0 DHADHM COc1ccc2c(CC(=O)Nc3c(C)cccc3[O-])coc2c1 ZINC000179551788 337170091 /nfs/dbraw/zinc/17/00/91/337170091.db2.gz YAUFJICMCKARLI-UHFFFAOYSA-N -1 3 311.337 3.637 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000179546636 337170164 /nfs/dbraw/zinc/17/01/64/337170164.db2.gz RLIDZATVNSSANY-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1-c1ccccc1C ZINC000179562217 337170279 /nfs/dbraw/zinc/17/02/79/337170279.db2.gz WBCSGFDTLOAATN-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc([O-])cc1F ZINC000180856341 337178202 /nfs/dbraw/zinc/17/82/02/337178202.db2.gz UHTHQADGXZCWID-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000182458782 337186394 /nfs/dbraw/zinc/18/63/94/337186394.db2.gz ZXMWRUDOXUFPDX-QGZVFWFLSA-N -1 3 313.422 3.631 20 0 DHADHM C[C@H](NC(=O)c1cccc([O-])c1)c1nc(C(C)(C)C)cs1 ZINC000182394446 337188172 /nfs/dbraw/zinc/18/81/72/337188172.db2.gz ACUBYKSDWZAEDA-JTQLQIEISA-N -1 3 304.415 3.637 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000183077959 337191323 /nfs/dbraw/zinc/19/13/23/337191323.db2.gz QBCGFWDJCUNWTA-LBPRGKRZSA-N -1 3 317.772 3.544 20 0 DHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183259344 337192640 /nfs/dbraw/zinc/19/26/40/337192640.db2.gz YWZTZZTZFONZFX-SNVBAGLBSA-N -1 3 321.373 3.659 20 0 DHADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183274542 337192711 /nfs/dbraw/zinc/19/27/11/337192711.db2.gz AOCGEXINVFNFSH-NSHDSACASA-N -1 3 305.374 3.792 20 0 DHADHM O=[S@@](Cc1csc(-c2cccs2)n1)c1cccc([O-])c1 ZINC000184052768 337196912 /nfs/dbraw/zinc/19/69/12/337196912.db2.gz GTVNXODQNDMDME-FQEVSTJZSA-N -1 3 321.448 3.885 20 0 DHADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccccc1N1CCCC1 ZINC000186166643 337254203 /nfs/dbraw/zinc/25/42/03/337254203.db2.gz AGPOJJZHLOTHIV-UHFFFAOYSA-N -1 3 314.404 3.764 20 0 DHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1csc(=O)[n-]1 ZINC000525921221 337270844 /nfs/dbraw/zinc/27/08/44/337270844.db2.gz XVKXOGNYWUBGLG-AWEZNQCLSA-N -1 3 302.399 3.510 20 0 DHADHM Cn1ccc2cccc(NC(=O)c3c[n-]nc3-c3ccccc3)c21 ZINC000188130906 337271014 /nfs/dbraw/zinc/27/10/14/337271014.db2.gz PLANTOFDFIHPFF-UHFFFAOYSA-N -1 3 316.364 3.821 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000188771228 337275434 /nfs/dbraw/zinc/27/54/34/337275434.db2.gz ABXAJBNRKCCCOL-UHFFFAOYSA-N -1 3 312.291 3.851 20 0 DHADHM CC(C)n1cc(NC(=O)CCc2ccc3ccccc3c2[O-])cn1 ZINC000583303013 337312145 /nfs/dbraw/zinc/31/21/45/337312145.db2.gz MQRKICRCNQQJMX-UHFFFAOYSA-N -1 3 323.396 3.894 20 0 DHADHM [O-]c1cccnc1CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000584566397 337362394 /nfs/dbraw/zinc/36/23/94/337362394.db2.gz ZUDJVKQFBOCEDT-AWEZNQCLSA-N -1 3 320.845 3.807 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN(CCc2ccccc2)CC1 ZINC000078546438 337601846 /nfs/dbraw/zinc/60/18/46/337601846.db2.gz DUDSHKBSAYXABD-UHFFFAOYSA-N -1 3 309.409 3.530 20 0 DHADHM COc1cc(Cl)c(CNCCC(C)(C)C(=O)[O-])cc1Cl ZINC000263080336 337624051 /nfs/dbraw/zinc/62/40/51/337624051.db2.gz RMWBJXOTGYCLKW-UHFFFAOYSA-N -1 3 320.216 3.593 20 0 DHADHM Cc1sc([N-]C(=O)c2cnns2)nc1-c1ccc(C)cc1 ZINC000080157787 337661243 /nfs/dbraw/zinc/66/12/43/337661243.db2.gz GIOCKBVDNBMAAW-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM CCOc1cc(-c2noc(-c3cccc4cc[nH]c43)n2)ccc1[O-] ZINC000445425070 337726503 /nfs/dbraw/zinc/72/65/03/337726503.db2.gz AUAGEGSZJZAYGW-UHFFFAOYSA-N -1 3 321.336 3.989 20 0 DHADHM CCOc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1[O-] ZINC000445427698 337728668 /nfs/dbraw/zinc/72/86/68/337728668.db2.gz QEISXUSQGHXJOL-UHFFFAOYSA-N -1 3 300.289 3.647 20 0 DHADHM Cc1ccc(-c2nc([C@H](C)c3nccs3)no2)c([O-])c1C ZINC000424357920 337825957 /nfs/dbraw/zinc/82/59/57/337825957.db2.gz YSDBXCVKIDHNTK-JTQLQIEISA-N -1 3 301.371 3.667 20 0 DHADHM O=S(=O)([N-]Cc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000082350931 337836789 /nfs/dbraw/zinc/83/67/89/337836789.db2.gz NTELSALTOJJLPY-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000424625925 337926633 /nfs/dbraw/zinc/92/66/33/337926633.db2.gz TYRZXBSBQZVCIN-NOZJJQNGSA-N -1 3 304.217 3.828 20 0 DHADHM O=C([O-])[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000424627706 337927115 /nfs/dbraw/zinc/92/71/15/337927115.db2.gz WDMHAZFYVGACRB-KCJUWKMLSA-N -1 3 321.726 3.702 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000537644612 337955060 /nfs/dbraw/zinc/95/50/60/337955060.db2.gz QKKWUWYRWVLGLV-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCC[C@@H](F)C1 ZINC000424743360 337958145 /nfs/dbraw/zinc/95/81/45/337958145.db2.gz WGNDBNDEOSKGQF-DTWKUNHWSA-N -1 3 305.271 3.878 20 0 DHADHM C[C@H]1[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)[C@H]1c1ccccc1 ZINC000516369485 338012107 /nfs/dbraw/zinc/01/21/07/338012107.db2.gz UFVWAMPMCOZVCZ-UHNFBRDESA-N -1 3 317.352 3.525 20 0 DHADHM CC1(C)COc2ccc(C(=O)N3CCCc4cccc([O-])c43)cc21 ZINC000516525963 338014560 /nfs/dbraw/zinc/01/45/60/338014560.db2.gz DIQQBZIDZPZBOL-UHFFFAOYSA-N -1 3 323.392 3.655 20 0 DHADHM CC(C)CCn1ncc(NC(=O)[N-]c2cnns2)c1C(C)C ZINC000516526973 338014596 /nfs/dbraw/zinc/01/45/96/338014596.db2.gz MYWUPEUBMSLEMS-UHFFFAOYSA-N -1 3 322.438 3.548 20 0 DHADHM CC(C)(CCCNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426628475 338036505 /nfs/dbraw/zinc/03/65/05/338036505.db2.gz MDVZRMKBHKFUEN-UHFFFAOYSA-N -1 3 318.442 3.791 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000426645335 338036837 /nfs/dbraw/zinc/03/68/37/338036837.db2.gz GNOJYXREHFHBBV-SNVBAGLBSA-N -1 3 321.314 3.968 20 0 DHADHM O=C([O-])C[C@H](CNCc1ccc(Cl)cc1F)c1ccccc1 ZINC000426645941 338036948 /nfs/dbraw/zinc/03/69/48/338036948.db2.gz GXUFZTUYUSHGRP-CQSZACIVSA-N -1 3 321.779 3.827 20 0 DHADHM C[C@@H](CCNCc1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000426647663 338036954 /nfs/dbraw/zinc/03/69/54/338036954.db2.gz OKWKZKNLTNZLST-VIFPVBQESA-N -1 3 323.742 3.949 20 0 DHADHM CC(C)(C)C1CCC(CNCc2nc(C(=O)[O-])cs2)CC1 ZINC000426658099 338037279 /nfs/dbraw/zinc/03/72/79/338037279.db2.gz VIGCZUAJFOWNJJ-UHFFFAOYSA-N -1 3 310.463 3.783 20 0 DHADHM Cc1ccc([C@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426670343 338037540 /nfs/dbraw/zinc/03/75/40/338037540.db2.gz DXVSHNKMHXUPRW-HNNXBMFYSA-N -1 3 323.314 3.929 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000426722312 338039199 /nfs/dbraw/zinc/03/91/99/338039199.db2.gz HDMDYLJJPAJRKH-QLJPJBMISA-N -1 3 323.314 3.656 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000426722107 338039203 /nfs/dbraw/zinc/03/92/03/338039203.db2.gz GAIOBZZOJHTYAM-AWEZNQCLSA-N -1 3 310.180 3.909 20 0 DHADHM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426732088 338039689 /nfs/dbraw/zinc/03/96/89/338039689.db2.gz HKTFMQKGVYVORS-RXYHWBRQSA-N -1 3 319.763 3.908 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000426735797 338039849 /nfs/dbraw/zinc/03/98/49/338039849.db2.gz VMHVZMCKINGHCD-DOMZBBRYSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1cc(C)cc([C@@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])c1 ZINC000426749771 338040650 /nfs/dbraw/zinc/04/06/50/338040650.db2.gz IKZHOIDBTBDQGI-OAJJDEHYSA-N -1 3 313.372 3.871 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000426750514 338040685 /nfs/dbraw/zinc/04/06/85/338040685.db2.gz NTRBQRIWVGFFOF-SWLSCSKDSA-N -1 3 322.455 3.605 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000426759333 338041191 /nfs/dbraw/zinc/04/11/91/338041191.db2.gz MJCRLZIQCZLYLI-MLGOLLRUSA-N -1 3 303.789 3.892 20 0 DHADHM O=C(N[C@H]1CC12CCCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000430212792 338101581 /nfs/dbraw/zinc/10/15/81/338101581.db2.gz PXKQHGUUBUWNCV-NSHDSACASA-N -1 3 321.833 3.854 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000431565871 338133799 /nfs/dbraw/zinc/13/37/99/338133799.db2.gz OTROSLDYZJTNNV-UHFFFAOYSA-N -1 3 312.348 3.647 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000431565871 338133800 /nfs/dbraw/zinc/13/38/00/338133800.db2.gz OTROSLDYZJTNNV-UHFFFAOYSA-N -1 3 312.348 3.647 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000431565871 338133801 /nfs/dbraw/zinc/13/38/01/338133801.db2.gz OTROSLDYZJTNNV-UHFFFAOYSA-N -1 3 312.348 3.647 20 0 DHADHM CCOc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000431831283 338139620 /nfs/dbraw/zinc/13/96/20/338139620.db2.gz FQMGSFORNMIHJN-UHFFFAOYSA-N -1 3 309.724 3.836 20 0 DHADHM COc1cccc(F)c1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431858882 338140384 /nfs/dbraw/zinc/14/03/84/338140384.db2.gz LTLNQYAWWQZMAD-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1c(Cl)cc(F)cc1Cl ZINC000432935461 338174041 /nfs/dbraw/zinc/17/40/41/338174041.db2.gz DGMDNPSKEISFTB-UHFFFAOYSA-N -1 3 303.120 3.990 20 0 DHADHM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc([O-])ccc1Cl ZINC000433373373 338194154 /nfs/dbraw/zinc/19/41/54/338194154.db2.gz RWVAIJYIHVIAAQ-NSHDSACASA-N -1 3 319.788 3.502 20 0 DHADHM C[C@H](CCc1ccc(O)cc1)NC(=O)c1cc([O-])ccc1Cl ZINC000433373371 338194214 /nfs/dbraw/zinc/19/42/14/338194214.db2.gz RWVAIJYIHVIAAQ-LLVKDONJSA-N -1 3 319.788 3.502 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000433804671 338202536 /nfs/dbraw/zinc/20/25/36/338202536.db2.gz ZYZACZRNGRMJGE-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM [O-]c1cc(F)cc(/C=C\c2ncc(Br)s2)c1 ZINC000434629592 338221924 /nfs/dbraw/zinc/22/19/24/338221924.db2.gz XBPPOKLNKLOJDC-UPHRSURJSA-N -1 3 300.152 3.921 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccn(C(F)F)n2)CC)n1 ZINC000435337032 338237301 /nfs/dbraw/zinc/23/73/01/338237301.db2.gz SRIBTBDTCJSASB-NTMALXAHSA-N -1 3 308.332 3.677 20 0 DHADHM Cc1ccc(NC(=O)CO[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000435469483 338240992 /nfs/dbraw/zinc/24/09/92/338240992.db2.gz KBZLREYVKNFJRU-GOSISDBHSA-N -1 3 311.381 3.733 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000435726085 338246329 /nfs/dbraw/zinc/24/63/29/338246329.db2.gz LQJHWELRQVKNRI-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(COc3ccc(F)cc3)no2)c1 ZINC000435954022 338254121 /nfs/dbraw/zinc/25/41/21/338254121.db2.gz PQXRFBGNTKOFQT-RUDMXATFSA-N -1 3 312.300 3.664 20 0 DHADHM Cc1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)c([O-])c1C ZINC000436486896 338273879 /nfs/dbraw/zinc/27/38/79/338273879.db2.gz JILPWHXAPAVGST-UHFFFAOYSA-N -1 3 313.372 3.655 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c([O-])c1 ZINC000436515025 338274697 /nfs/dbraw/zinc/27/46/97/338274697.db2.gz QLKUXWKLGWNARU-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([O-])c1 ZINC000436515025 338274698 /nfs/dbraw/zinc/27/46/98/338274698.db2.gz QLKUXWKLGWNARU-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000436515597 338274746 /nfs/dbraw/zinc/27/47/46/338274746.db2.gz SJZMECRTQMNMKH-GOSISDBHSA-N -1 3 317.335 3.551 20 0 DHADHM CC(C)(COCc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436521379 338274939 /nfs/dbraw/zinc/27/49/39/338274939.db2.gz MGNGJEREPSSDTE-UHFFFAOYSA-N -1 3 324.380 3.937 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc4ncccc43)no2)c([O-])c1 ZINC000436522866 338275058 /nfs/dbraw/zinc/27/50/58/338275058.db2.gz XUYHVCFBWGECDN-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000436535548 338275656 /nfs/dbraw/zinc/27/56/56/338275656.db2.gz ALIYGQCXTQPXBG-UHFFFAOYSA-N -1 3 317.360 3.591 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccccc2F)C(C)C)c([O-])c1 ZINC000436534718 338275735 /nfs/dbraw/zinc/27/57/35/338275735.db2.gz PJMKRCKCWKVRNA-UHFFFAOYSA-N -1 3 317.360 3.591 20 0 DHADHM Cc1cc2c(cc1C)O[C@H](c1nc(-c3ccc([O-])cc3)no1)C2 ZINC000436535240 338275809 /nfs/dbraw/zinc/27/58/09/338275809.db2.gz REKMINXUABYPFF-INIZCTEOSA-N -1 3 308.337 3.735 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2)C(C)C)c1 ZINC000436537956 338275857 /nfs/dbraw/zinc/27/58/57/338275857.db2.gz HBYOUZIBGUUCBJ-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CC(C)c1ccc(C(=O)NC(C)(C)c2nccs2)c([O-])c1 ZINC000436549359 338276493 /nfs/dbraw/zinc/27/64/93/338276493.db2.gz PEMAYBJZSKISFR-UHFFFAOYSA-N -1 3 304.415 3.637 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436548791 338276561 /nfs/dbraw/zinc/27/65/61/338276561.db2.gz VAZAMVFUUWSKID-CQSZACIVSA-N -1 3 307.459 3.757 20 0 DHADHM Cc1csc(C2(NC(=O)c3cccc(C)c3[O-])CCCC2)n1 ZINC000436553311 338276839 /nfs/dbraw/zinc/27/68/39/338276839.db2.gz ZUZFBROSLIFYEX-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)no1 ZINC000436552427 338276858 /nfs/dbraw/zinc/27/68/58/338276858.db2.gz WNJORPRARHOQLD-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1[O-] ZINC000436561018 338277002 /nfs/dbraw/zinc/27/70/02/338277002.db2.gz ARTVQIZTOUROFI-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM COc1ccccc1C1(c2noc(-c3ccc(C)cc3[O-])n2)CC1 ZINC000436561374 338277088 /nfs/dbraw/zinc/27/70/88/338277088.db2.gz BKDLULQTODXSLJ-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM Cc1cccc(C(=O)NC[C@H](C)Oc2ccccc2Cl)c1[O-] ZINC000436561019 338277114 /nfs/dbraw/zinc/27/71/14/338277114.db2.gz ARTVQIZTOUROFI-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM COc1ccc(C(=O)N2CCCCC[C@H]2CC(C)C)c([O-])c1 ZINC000436560346 338277148 /nfs/dbraw/zinc/27/71/48/338277148.db2.gz BHQWGYQVVKEASK-AWEZNQCLSA-N -1 3 305.418 3.832 20 0 DHADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436562421 338277268 /nfs/dbraw/zinc/27/72/68/338277268.db2.gz JLCAROYHJGXVSF-HUUCEWRRSA-N -1 3 309.409 3.854 20 0 DHADHM COCCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])C1CC1 ZINC000436566886 338277542 /nfs/dbraw/zinc/27/75/42/338277542.db2.gz YSMMPEJTEWWDFI-UHFFFAOYSA-N -1 3 319.445 3.890 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436570919 338277650 /nfs/dbraw/zinc/27/76/50/338277650.db2.gz SUSSCKGUCFLVKY-CABCVRRESA-N -1 3 309.409 3.854 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC12CCC2 ZINC000436575337 338278073 /nfs/dbraw/zinc/27/80/73/338278073.db2.gz NNVJZSGXIFVUPJ-UHFFFAOYSA-N -1 3 309.365 3.953 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]1Cc1ccccc1 ZINC000436578551 338278119 /nfs/dbraw/zinc/27/81/19/338278119.db2.gz RLHHXDANBSWIGL-SFHVURJKSA-N -1 3 321.420 3.728 20 0 DHADHM COc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)c([O-])c1 ZINC000436578979 338278179 /nfs/dbraw/zinc/27/81/79/338278179.db2.gz YFWVAWIUXQGPLK-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM Cc1ccc(-c2nc(CNC(=O)c3cccc(C)c3[O-])co2)cc1 ZINC000436581324 338278182 /nfs/dbraw/zinc/27/81/82/338278182.db2.gz AOHVVQATISYKSR-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)c([O-])c1 ZINC000436583823 338278303 /nfs/dbraw/zinc/27/83/03/338278303.db2.gz LEXMJDOSCKDXKB-UHFFFAOYSA-N -1 3 322.408 3.577 20 0 DHADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(C)c1O ZINC000436581468 338278457 /nfs/dbraw/zinc/27/84/57/338278457.db2.gz FNSWLNJVYFZTCT-UHFFFAOYSA-N -1 3 311.381 3.846 20 0 DHADHM Cc1cc(Oc2ccc(NC(=O)c3cccc(C)c3[O-])cc2)n[nH]1 ZINC000436587215 338278559 /nfs/dbraw/zinc/27/85/59/338278559.db2.gz WKXPMYNAWUSXRS-UHFFFAOYSA-N -1 3 323.352 3.777 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC000436588005 338278599 /nfs/dbraw/zinc/27/85/99/338278599.db2.gz QYDSBOMDSXHTGP-NEPJUHHUSA-N -1 3 315.335 3.799 20 0 DHADHM CC(C)C1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436589358 338278821 /nfs/dbraw/zinc/27/88/21/338278821.db2.gz KFHDCSXHXWQXMC-UHFFFAOYSA-N -1 3 317.429 3.614 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2cccc(C)c2[O-])on1 ZINC000436592693 338278911 /nfs/dbraw/zinc/27/89/11/338278911.db2.gz XULFIYQWQJNRLN-UHFFFAOYSA-N -1 3 302.374 3.522 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)c([O-])c1 ZINC000436592135 338278948 /nfs/dbraw/zinc/27/89/48/338278948.db2.gz ZTXDIISQOULKKO-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1C ZINC000436595706 338279184 /nfs/dbraw/zinc/27/91/84/338279184.db2.gz NKHBGIINUPMRPA-OAHLLOKOSA-N -1 3 317.429 3.621 20 0 DHADHM O=C(c1ccccc1[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000436599313 338279262 /nfs/dbraw/zinc/27/92/62/338279262.db2.gz XFBHCCBAJCNFSN-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM Cc1cscc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436602667 338279403 /nfs/dbraw/zinc/27/94/03/338279403.db2.gz FQXAFKHOWQJFEJ-UHFFFAOYSA-N -1 3 303.383 3.728 20 0 DHADHM CCCCn1ncc(NC(=O)c2cc(CC)ccc2[O-])c1C ZINC000436611857 338279907 /nfs/dbraw/zinc/27/99/07/338279907.db2.gz ZCIPRKFEBIVZMB-UHFFFAOYSA-N -1 3 301.390 3.512 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)nc(C)n1 ZINC000436614260 338280097 /nfs/dbraw/zinc/28/00/97/338280097.db2.gz VPUYGONCTJFXKK-UHFFFAOYSA-N -1 3 318.336 3.669 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436626058 338280463 /nfs/dbraw/zinc/28/04/63/338280463.db2.gz HMLLBCRXHGQJSH-HUUCEWRRSA-N -1 3 309.409 3.658 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000436634721 338280778 /nfs/dbraw/zinc/28/07/78/338280778.db2.gz IVIBVMVOEJHZSQ-AWEZNQCLSA-N -1 3 319.788 3.935 20 0 DHADHM CCN(Cc1cccc(F)c1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436636735 338280900 /nfs/dbraw/zinc/28/09/00/338280900.db2.gz SGMSEKLZHNKAEM-UHFFFAOYSA-N -1 3 301.361 3.810 20 0 DHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(C)ccc1[O-] ZINC000436666369 338282122 /nfs/dbraw/zinc/28/21/22/338282122.db2.gz QRJSEUZOULZPEN-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436668796 338282191 /nfs/dbraw/zinc/28/21/91/338282191.db2.gz XWJJVDYKVVMZKX-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c([O-])c1C ZINC000436672653 338282379 /nfs/dbraw/zinc/28/23/79/338282379.db2.gz MYVUBBHTPVIJIE-LBPRGKRZSA-N -1 3 301.361 3.509 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2cc(F)ccc21 ZINC000436685898 338282860 /nfs/dbraw/zinc/28/28/60/338282860.db2.gz MWQHLCYFCDVITD-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCc3c2cccc3O)c([O-])c1 ZINC000436692593 338283091 /nfs/dbraw/zinc/28/30/91/338283091.db2.gz XLBZHGQDSNMHNO-INIZCTEOSA-N -1 3 311.381 3.639 20 0 DHADHM CCc1cc(C(=O)NCC[C@@H](OC)C(CC)CC)ccc1[O-] ZINC000436701818 338283423 /nfs/dbraw/zinc/28/34/23/338283423.db2.gz AUHYWDSOWYTODA-QGZVFWFLSA-N -1 3 307.434 3.526 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2ccc([O-])c(CC)c2)s1 ZINC000436708647 338283525 /nfs/dbraw/zinc/28/35/25/338283525.db2.gz JYMFYOFXDBLMLL-UHFFFAOYSA-N -1 3 304.415 3.924 20 0 DHADHM COc1cccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1[O-] ZINC000436712205 338283661 /nfs/dbraw/zinc/28/36/61/338283661.db2.gz FFHIOVONHGPWHD-HNNXBMFYSA-N -1 3 311.381 3.801 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436719628 338284001 /nfs/dbraw/zinc/28/40/01/338284001.db2.gz PEHGJVVNZHZLSM-CYBMUJFWSA-N -1 3 323.396 3.814 20 0 DHADHM COc1cc(C)cnc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000436726323 338284270 /nfs/dbraw/zinc/28/42/70/338284270.db2.gz UCTYDWFNCZJSFG-UHFFFAOYSA-N -1 3 314.385 3.654 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2cncc(F)c2)c([O-])c1 ZINC000436723916 338284283 /nfs/dbraw/zinc/28/42/83/338284283.db2.gz RGSCYYGJTWRPIB-NSHDSACASA-N -1 3 302.349 3.541 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c([O-])c1 ZINC000436738076 338284795 /nfs/dbraw/zinc/28/47/95/338284795.db2.gz MZNXUALBXPSRCE-OAHLLOKOSA-N -1 3 322.408 3.720 20 0 DHADHM Cc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)c([O-])c1C ZINC000436738350 338284927 /nfs/dbraw/zinc/28/49/27/338284927.db2.gz TXAGWVGBLQEDFV-UHFFFAOYSA-N -1 3 301.773 3.818 20 0 DHADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)nn1C1CCCCC1 ZINC000436748731 338285206 /nfs/dbraw/zinc/28/52/06/338285206.db2.gz QJBKVRPNNWFAAW-UHFFFAOYSA-N -1 3 317.364 3.794 20 0 DHADHM CCC(CC)n1nc(-c2nc(-c3ccc([O-])cc3)no2)cc1C ZINC000436749340 338285333 /nfs/dbraw/zinc/28/53/33/338285333.db2.gz SQQWIMKBXXRWQO-UHFFFAOYSA-N -1 3 312.373 3.975 20 0 DHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436755201 338285587 /nfs/dbraw/zinc/28/55/87/338285587.db2.gz LMPOMFJJPNBSRN-TZMCWYRMSA-N -1 3 317.429 3.756 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])nn1C1CCCCC1 ZINC000436754588 338285653 /nfs/dbraw/zinc/28/56/53/338285653.db2.gz ZXRNKTNGYWRQCT-UHFFFAOYSA-N -1 3 317.364 3.794 20 0 DHADHM O=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000436762162 338286212 /nfs/dbraw/zinc/28/62/12/338286212.db2.gz CGRAWJIIYCCYHJ-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM CCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCCCC1 ZINC000436760817 338286258 /nfs/dbraw/zinc/28/62/58/338286258.db2.gz SNNPYYTZUAMCKD-UHFFFAOYSA-N -1 3 317.429 3.901 20 0 DHADHM [O-]c1ccc(-c2noc(CCSc3ccc(F)cc3)n2)cc1 ZINC000436769401 338286531 /nfs/dbraw/zinc/28/65/31/338286531.db2.gz NMUSGJQALNBECP-UHFFFAOYSA-N -1 3 316.357 3.916 20 0 DHADHM COc1ccccc1[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770045 338286537 /nfs/dbraw/zinc/28/65/37/338286537.db2.gz PTHYBNDPRDERBW-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM CCOc1ccccc1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436769397 338286541 /nfs/dbraw/zinc/28/65/41/338286541.db2.gz NLYGBJRJQBWWEM-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM CC(=O)c1cccc(O[C@H](C)c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770055 338286837 /nfs/dbraw/zinc/28/68/37/338286837.db2.gz PULIPBVVPDVZRV-GFCCVEGCSA-N -1 3 324.336 3.785 20 0 DHADHM COc1ccccc1[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770047 338286858 /nfs/dbraw/zinc/28/68/58/338286858.db2.gz PTHYBNDPRDERBW-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(O)cc1[O-] ZINC000436779404 338287053 /nfs/dbraw/zinc/28/70/53/338287053.db2.gz KTYCISAZRJBCHV-UHFFFAOYSA-N -1 3 319.788 3.502 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)Cc1ccsc1 ZINC000436782183 338287179 /nfs/dbraw/zinc/28/71/79/338287179.db2.gz MGLUMRNUADQEKR-CYBMUJFWSA-N -1 3 303.427 3.855 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3c[nH]c4cc(F)ccc34)n2)cc1 ZINC000436780137 338287194 /nfs/dbraw/zinc/28/71/94/338287194.db2.gz ZLIYCRXSSAEHFG-UHFFFAOYSA-N -1 3 309.300 3.653 20 0 DHADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000436781862 338287219 /nfs/dbraw/zinc/28/72/19/338287219.db2.gz LNIJVELYCIQEJV-ZDUSSCGKSA-N -1 3 303.427 3.855 20 0 DHADHM COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1[O-] ZINC000436784325 338287323 /nfs/dbraw/zinc/28/73/23/338287323.db2.gz LBKSRZRKZHCMDY-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM CCCc1occc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436791330 338287448 /nfs/dbraw/zinc/28/74/48/338287448.db2.gz JUZBSPUUVSSIPA-UHFFFAOYSA-N -1 3 300.314 3.663 20 0 DHADHM CCc1ccc(C(=O)N(CC)Cc2cccc(F)c2)c([O-])c1 ZINC000436797318 338287740 /nfs/dbraw/zinc/28/77/40/338287740.db2.gz FCFJIZTZNZSBMD-UHFFFAOYSA-N -1 3 301.361 3.756 20 0 DHADHM COc1cccc(C(=O)N(C)C/C(C)=C/c2ccccc2)c1[O-] ZINC000436810080 338288074 /nfs/dbraw/zinc/28/80/74/338288074.db2.gz WFKQSBNLDQTYHT-WYMLVPIESA-N -1 3 311.381 3.576 20 0 DHADHM CC[C@H](C)Oc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000436806997 338288169 /nfs/dbraw/zinc/28/81/69/338288169.db2.gz JMZKBYSQNHKEIR-NSHDSACASA-N -1 3 311.341 3.682 20 0 DHADHM CCCC[C@H](CCC)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436813428 338288223 /nfs/dbraw/zinc/28/82/23/338288223.db2.gz OVARBHMURYMRHW-ZDUSSCGKSA-N -1 3 323.433 3.746 20 0 DHADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436818718 338288374 /nfs/dbraw/zinc/28/83/74/338288374.db2.gz BGTHJGWLNMKUPC-OAHLLOKOSA-N -1 3 319.788 3.505 20 0 DHADHM COc1cc(C)cc(NC(=O)c2cc(C)cc(OC)c2[O-])c1C ZINC000436817650 338288476 /nfs/dbraw/zinc/28/84/76/338288476.db2.gz BSEPVNPMNRBUKZ-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC(C)(C)C1 ZINC000436829446 338288993 /nfs/dbraw/zinc/28/89/93/338288993.db2.gz BDXOZCKNLITSMX-LBPRGKRZSA-N -1 3 317.429 3.614 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436832682 338289047 /nfs/dbraw/zinc/28/90/47/338289047.db2.gz JTNJBNRFLMQVGT-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436834164 338289197 /nfs/dbraw/zinc/28/91/97/338289197.db2.gz OADSVGDKPUOEKQ-ZDUSSCGKSA-N -1 3 317.429 3.614 20 0 DHADHM CCc1ccc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)c([O-])c1 ZINC000436841297 338289506 /nfs/dbraw/zinc/28/95/06/338289506.db2.gz YPQYXQDXQLXDHA-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccccc3OC)no2)c([O-])c1 ZINC000436839392 338289585 /nfs/dbraw/zinc/28/95/85/338289585.db2.gz LYGFXXDHBUQWTB-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3ccccc3F)C2)c([O-])c1 ZINC000436844689 338289733 /nfs/dbraw/zinc/28/97/33/338289733.db2.gz PDVPAULPOIJPEW-UHFFFAOYSA-N -1 3 311.356 3.633 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c(C)c1 ZINC000436851801 338289887 /nfs/dbraw/zinc/28/98/87/338289887.db2.gz MVANSBLNDXOBKP-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM COc1cc(Cl)c(NC(=O)c2cccc(OC)c2[O-])cc1C ZINC000436848276 338289897 /nfs/dbraw/zinc/28/98/97/338289897.db2.gz OAAUIEOIFBVNLX-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c1 ZINC000436854630 338290028 /nfs/dbraw/zinc/29/00/28/338290028.db2.gz NYKDCPMHVVXKGH-KRWDZBQOSA-N -1 3 312.413 3.567 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC=C(F)C1 ZINC000436860728 338290174 /nfs/dbraw/zinc/29/01/74/338290174.db2.gz HJKKWECMKQOQNU-UHFFFAOYSA-N -1 3 311.356 3.682 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CCCc4c(O)cccc43)n2)cc1 ZINC000436868073 338290675 /nfs/dbraw/zinc/29/06/75/338290675.db2.gz FPZXVSZAWUQULS-HNNXBMFYSA-N -1 3 308.337 3.616 20 0 DHADHM CCc1ccc(-c2nc([C@@H]3COc4ccccc4O3)no2)c([O-])c1 ZINC000436881339 338291610 /nfs/dbraw/zinc/29/16/10/338291610.db2.gz XBTBGENSZXNNGH-INIZCTEOSA-N -1 3 324.336 3.517 20 0 DHADHM COc1ccccc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436887371 338291970 /nfs/dbraw/zinc/29/19/70/338291970.db2.gz OLBGVFMEJSMJHJ-UHFFFAOYSA-N -1 3 322.364 3.997 20 0 DHADHM C[C@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436895493 338292362 /nfs/dbraw/zinc/29/23/62/338292362.db2.gz VHTOVSGDJFNVLY-JTQLQIEISA-N -1 3 300.289 3.721 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([O-])c1C ZINC000436901864 338292724 /nfs/dbraw/zinc/29/27/24/338292724.db2.gz OIEVQMHEIGZZGR-UHFFFAOYSA-N -1 3 305.324 3.559 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436900727 338292753 /nfs/dbraw/zinc/29/27/53/338292753.db2.gz JPSLNFUGPSEPQP-ZBTGYSDGSA-N -1 3 323.392 3.719 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)c([O-])c1C ZINC000436904309 338292811 /nfs/dbraw/zinc/29/28/11/338292811.db2.gz KYNKWHBTGOQAGB-MRXNPFEDSA-N -1 3 311.381 3.653 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)c([O-])c1C ZINC000436903039 338292827 /nfs/dbraw/zinc/29/28/27/338292827.db2.gz LTSAFBWQYKWRIA-UHFFFAOYSA-N -1 3 316.307 3.928 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)ccc1[O-] ZINC000436904122 338292980 /nfs/dbraw/zinc/29/29/80/338292980.db2.gz VOLMMUQPIUMJEE-LLVKDONJSA-N -1 3 318.442 3.946 20 0 DHADHM CCOCc1ccccc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000436909761 338293009 /nfs/dbraw/zinc/29/30/09/338293009.db2.gz NNLOIVGISNPGCD-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000436909342 338293076 /nfs/dbraw/zinc/29/30/76/338293076.db2.gz YOANPPMUFCXRPP-AWEZNQCLSA-N -1 3 313.372 3.941 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H](C)c3cccs3)no2)c1 ZINC000436933640 338294277 /nfs/dbraw/zinc/29/42/77/338294277.db2.gz CRHKCCHIMHZKSR-VIFPVBQESA-N -1 3 302.355 3.664 20 0 DHADHM Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)ccc1[O-] ZINC000436939143 338294537 /nfs/dbraw/zinc/29/45/37/338294537.db2.gz NVFWPSRMKXSMNH-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)ccc1[O-] ZINC000436941026 338294721 /nfs/dbraw/zinc/29/47/21/338294721.db2.gz ZKSPGDRUSKBZIU-DOTOQJQBSA-N -1 3 309.409 3.794 20 0 DHADHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1cc(F)ccc1F ZINC000436955067 338295686 /nfs/dbraw/zinc/29/56/86/338295686.db2.gz YKBQOACMTZDLCL-OAHLLOKOSA-N -1 3 321.323 3.560 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)Cc2cccs2)c([O-])c1 ZINC000436970430 338296192 /nfs/dbraw/zinc/29/61/92/338296192.db2.gz FITOYNNOOQKIBW-UHFFFAOYSA-N -1 3 319.426 3.905 20 0 DHADHM CC[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1nccs1 ZINC000436969683 338296214 /nfs/dbraw/zinc/29/62/14/338296214.db2.gz JQJUTKAGPKYOJA-AWEZNQCLSA-N -1 3 316.426 3.609 20 0 DHADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(C)c1O ZINC000436975208 338296370 /nfs/dbraw/zinc/29/63/70/338296370.db2.gz IFALZUDWFSMHQX-UHFFFAOYSA-N -1 3 311.381 3.846 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1C ZINC000436979434 338296569 /nfs/dbraw/zinc/29/65/69/338296569.db2.gz JWLMOLZDBWIECA-SJKOYZFVSA-N -1 3 310.397 3.627 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c(C)c1 ZINC000436996065 338297206 /nfs/dbraw/zinc/29/72/06/338297206.db2.gz CLDXPDVVIUOHJP-QGZVFWFLSA-N -1 3 309.409 3.947 20 0 DHADHM Cc1cccc(C(=O)Nc2nc(-c3cccs3)ns2)c1[O-] ZINC000436996838 338297216 /nfs/dbraw/zinc/29/72/16/338297216.db2.gz LORLKTUIVIZHIA-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM CCSCc1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000439589729 338374063 /nfs/dbraw/zinc/37/40/63/338374063.db2.gz APJUTJZKBDUMCD-GFCCVEGCSA-N -1 3 319.430 3.675 20 0 DHADHM Cc1ccc([C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000448629257 338381795 /nfs/dbraw/zinc/38/17/95/338381795.db2.gz WBHZYMSJIPQVOH-LJQANCHMSA-N -1 3 313.372 3.650 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000448632014 338382451 /nfs/dbraw/zinc/38/24/51/338382451.db2.gz GDCTURBSJURTCJ-INIZCTEOSA-N -1 3 317.335 3.577 20 0 DHADHM O=C([N-]c1ncc(-c2ccccc2)s1)c1cc(C2CC2)no1 ZINC000440746935 338396379 /nfs/dbraw/zinc/39/63/79/338396379.db2.gz LEMHNIHZLLZUEF-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM CCc1onc(C)c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441590876 338417384 /nfs/dbraw/zinc/41/73/84/338417384.db2.gz XOMRCYRFGRZWDN-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000441589040 338417413 /nfs/dbraw/zinc/41/74/13/338417413.db2.gz KRGUGPMZOBAYRF-KRWDZBQOSA-N -1 3 312.413 3.569 20 0 DHADHM CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000446702200 338532944 /nfs/dbraw/zinc/53/29/44/338532944.db2.gz QCUZVZIHSNRFKZ-IBGZPJMESA-N -1 3 319.445 3.937 20 0 DHADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccccc1 ZINC000447256579 338547889 /nfs/dbraw/zinc/54/78/89/338547889.db2.gz LGBSQQJPYHHKEV-UHFFFAOYSA-N -1 3 317.341 3.887 20 0 DHADHM Cc1cc2c(ncnc2S[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000447326629 338549767 /nfs/dbraw/zinc/54/97/67/338549767.db2.gz RQZQMMDRCOKIQO-VIFPVBQESA-N -1 3 318.427 3.657 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1ccccc1 ZINC000450624172 338694644 /nfs/dbraw/zinc/69/46/44/338694644.db2.gz OUXVEVGEHXFFQM-KRWDZBQOSA-N -1 3 313.372 3.828 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000451080043 338720810 /nfs/dbraw/zinc/72/08/10/338720810.db2.gz BXYGVXDCNWFEDS-UHFFFAOYSA-N -1 3 305.390 3.976 20 0 DHADHM CC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(F)F ZINC000452256651 338760619 /nfs/dbraw/zinc/76/06/19/338760619.db2.gz DLCPDULHKOPKFI-AWEZNQCLSA-N -1 3 307.340 3.638 20 0 DHADHM Cc1nccc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000195538448 338906184 /nfs/dbraw/zinc/90/61/84/338906184.db2.gz KSVPMHQLQHHNNV-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1[O-] ZINC000195697155 338914263 /nfs/dbraw/zinc/91/42/63/338914263.db2.gz LEYGOOUUPVWWTG-QGZVFWFLSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 ZINC000195743794 338914909 /nfs/dbraw/zinc/91/49/09/338914909.db2.gz GWNIOOFDYAMJIT-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM CC1(C2(NC(=O)CCc3ccc4ccccc4c3[O-])CC2)CC1 ZINC000456671198 338936916 /nfs/dbraw/zinc/93/69/16/338936916.db2.gz CTGGKXIYLPTQJG-UHFFFAOYSA-N -1 3 309.409 3.927 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456704164 338937536 /nfs/dbraw/zinc/93/75/36/338937536.db2.gz RGARYPGHXAWVBG-KRWDZBQOSA-N -1 3 321.380 3.636 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1[nH]ccc1C1CC1 ZINC000457660405 338974071 /nfs/dbraw/zinc/97/40/71/338974071.db2.gz GHAAPKGORADNNW-UHFFFAOYSA-N -1 3 310.275 3.869 20 0 DHADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459292660 339019683 /nfs/dbraw/zinc/01/96/83/339019683.db2.gz ODSLUFNZNSPQLD-SNVBAGLBSA-N -1 3 319.355 3.531 20 0 DHADHM CCOc1cc(CN[C@H](C)c2ccncc2F)cc(Cl)c1[O-] ZINC000459547111 339035109 /nfs/dbraw/zinc/03/51/09/339035109.db2.gz SKLXMBMQOOXFPM-SNVBAGLBSA-N -1 3 324.783 3.829 20 0 DHADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462715220 339084589 /nfs/dbraw/zinc/08/45/89/339084589.db2.gz LPCBIEDPEBZSLR-NXEZZACHSA-N -1 3 307.818 3.582 20 0 DHADHM Cc1ncn(-c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)c1C ZINC000462774239 339087941 /nfs/dbraw/zinc/08/79/41/339087941.db2.gz NEDPVVXVALCOMG-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCc1nc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)co1 ZINC000466567661 339209417 /nfs/dbraw/zinc/20/94/17/339209417.db2.gz SNFRWPDOLNSGQT-UHFFFAOYSA-N -1 3 303.120 3.935 20 0 DHADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468578096 339266654 /nfs/dbraw/zinc/26/66/54/339266654.db2.gz NRNGLBJRDHKMRZ-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM Cc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)ccc1[O-] ZINC000468615428 339267129 /nfs/dbraw/zinc/26/71/29/339267129.db2.gz NHJUSYHXHRNSNO-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3ccc(C)cc3F)cc2[n-]1 ZINC000468760402 339269993 /nfs/dbraw/zinc/26/99/93/339269993.db2.gz AOWXXOOSSXPRFF-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3ccc(C)cc3F)ccc2[n-]1 ZINC000468760402 339269994 /nfs/dbraw/zinc/26/99/94/339269994.db2.gz AOWXXOOSSXPRFF-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM Cc1ccc(O)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469077302 339279494 /nfs/dbraw/zinc/27/94/94/339279494.db2.gz UPCLYOFXRQJIQN-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2cccc(F)c2F)c2c([O-])cccc21 ZINC000469292075 339285305 /nfs/dbraw/zinc/28/53/05/339285305.db2.gz YCQMSSSVBYUDQO-NSHDSACASA-N -1 3 317.335 3.753 20 0 DHADHM CCC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469297949 339285408 /nfs/dbraw/zinc/28/54/08/339285408.db2.gz HVNXIEVCGIVKTK-OAHLLOKOSA-N -1 3 307.409 3.893 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2c(F)cccc2F)c2c([O-])cccc21 ZINC000469340410 339286449 /nfs/dbraw/zinc/28/64/49/339286449.db2.gz UTCCLLJUIWNZJT-NSHDSACASA-N -1 3 317.335 3.753 20 0 DHADHM CC[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469372745 339287134 /nfs/dbraw/zinc/28/71/34/339287134.db2.gz FJEGYANMFXHKHD-UKRRQHHQSA-N -1 3 307.409 3.939 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000469392455 339287722 /nfs/dbraw/zinc/28/77/22/339287722.db2.gz CGJNIZZMNQCKDN-WBVHZDCISA-N -1 3 319.420 3.939 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000469666511 339295115 /nfs/dbraw/zinc/29/51/15/339295115.db2.gz BTCSUNMCCUFEAZ-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC12CCCCC2 ZINC000469817147 339302001 /nfs/dbraw/zinc/30/20/01/339302001.db2.gz PESINKZMAIILQU-INIZCTEOSA-N -1 3 305.393 3.693 20 0 DHADHM CC(C)(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000471749049 339352955 /nfs/dbraw/zinc/35/29/55/339352955.db2.gz ZDMSIIWZBBKPJT-LBPRGKRZSA-N -1 3 308.378 3.505 20 0 DHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472268647 339368164 /nfs/dbraw/zinc/36/81/64/339368164.db2.gz IICHTFAAVRKHJI-RDJZCZTQSA-N -1 3 315.438 3.949 20 0 DHADHM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000473639007 339389365 /nfs/dbraw/zinc/38/93/65/339389365.db2.gz BWQDTVNEZWQGQJ-AWEZNQCLSA-N -1 3 312.413 3.721 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(c2ccccc2)[C@@H]1C ZINC000476211048 339471365 /nfs/dbraw/zinc/47/13/65/339471365.db2.gz ZZJMUAJKMAYWOG-GDBMZVCRSA-N -1 3 310.397 3.554 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCc2cccc(OC)c2)n1 ZINC000477358693 339493107 /nfs/dbraw/zinc/49/31/07/339493107.db2.gz AKOSRHYBORCHRU-UHFFFAOYSA-N -1 3 318.442 3.619 20 0 DHADHM CCc1ccnc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000482783100 339642508 /nfs/dbraw/zinc/64/25/08/339642508.db2.gz SDJHRFUSYROXKJ-UHFFFAOYSA-N -1 3 315.760 3.644 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(Cl)c2OC)ccc1[O-] ZINC000485925433 339716416 /nfs/dbraw/zinc/71/64/16/339716416.db2.gz RUYIDPOPIQFSGT-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM O=c1cc(C=Cc2ccccc2OC(F)F)nc(C2CC2)[n-]1 ZINC000486056537 339719502 /nfs/dbraw/zinc/71/95/02/339719502.db2.gz WQUAHYHCTSLCFI-FPLPWBNLSA-N -1 3 304.296 3.831 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000486086442 339720652 /nfs/dbraw/zinc/72/06/52/339720652.db2.gz CJYOBGIJMLUIQN-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2cc3ccccc3o2)ccc1[O-] ZINC000486512480 339728749 /nfs/dbraw/zinc/72/87/49/339728749.db2.gz ZMWSEMIDQPQBKZ-UHFFFAOYSA-N -1 3 309.365 3.973 20 0 DHADHM CC1CCC(C)([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000488757382 339792594 /nfs/dbraw/zinc/79/25/94/339792594.db2.gz HAJFUUZJWYJVHQ-UHFFFAOYSA-N -1 3 319.829 3.726 20 0 DHADHM Cc1cccc(Cl)c1CC(=O)N1CCCc2cccc([O-])c21 ZINC000489949661 339822013 /nfs/dbraw/zinc/82/20/13/339822013.db2.gz DJDRXGZUTCKLLG-UHFFFAOYSA-N -1 3 315.800 3.876 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1C ZINC000494327625 339946808 /nfs/dbraw/zinc/94/68/08/339946808.db2.gz AYLSEOHOBAXWIS-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1ccc2nc(C(=O)N3CCCc4cccc([O-])c43)ccc2c1 ZINC000494997938 339969341 /nfs/dbraw/zinc/96/93/41/339969341.db2.gz SNMJVRSLPJFDCP-UHFFFAOYSA-N -1 3 318.376 3.842 20 0 DHADHM CCC[C@H]1CCc2nc([N-]C(=O)c3cc(C)no3)sc2C1 ZINC000500363406 340055798 /nfs/dbraw/zinc/05/57/98/340055798.db2.gz RFQFJSJKZHFZBU-JTQLQIEISA-N -1 3 305.403 3.597 20 0 DHADHM CCN(C(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000500706897 340065563 /nfs/dbraw/zinc/06/55/63/340065563.db2.gz XQYNRZYGSYMIFX-UHFFFAOYSA-N -1 3 315.760 3.990 20 0 DHADHM CCN(C(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000500706897 340065564 /nfs/dbraw/zinc/06/55/64/340065564.db2.gz XQYNRZYGSYMIFX-UHFFFAOYSA-N -1 3 315.760 3.990 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3C)C2)c1 ZINC000501611233 340085043 /nfs/dbraw/zinc/08/50/43/340085043.db2.gz COGUYIPNZNBIAB-UHFFFAOYSA-N -1 3 307.393 3.802 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c(C)c1 ZINC000501859199 340089969 /nfs/dbraw/zinc/08/99/69/340089969.db2.gz OQCAZTIHPDEIMI-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000501968968 340091787 /nfs/dbraw/zinc/09/17/87/340091787.db2.gz ZCVPGNLRHSEXKI-OCCSQVGLSA-N -1 3 305.418 3.833 20 0 DHADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000504324131 340145022 /nfs/dbraw/zinc/14/50/22/340145022.db2.gz JDUOMOCJTZLUDI-UGSOOPFHSA-N -1 3 323.392 3.542 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3cc[nH]c3n2)c([O-])c1 ZINC000506244365 340189850 /nfs/dbraw/zinc/18/98/50/340189850.db2.gz XLYYPRNWSPQLPG-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1O ZINC000506249761 340189971 /nfs/dbraw/zinc/18/99/71/340189971.db2.gz NQIKSVXZZNVVQU-UHFFFAOYSA-N -1 3 313.397 3.885 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3[nH]c4ccccc4c3C2)c1F ZINC000507067728 340206433 /nfs/dbraw/zinc/20/64/33/340206433.db2.gz PRQBBOGRTADSSD-UHFFFAOYSA-N -1 3 314.335 3.710 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@H](Cc3ccccc3)C2)c1F ZINC000507268417 340216202 /nfs/dbraw/zinc/21/62/02/340216202.db2.gz QLPWTBWCRJEJIV-CQSZACIVSA-N -1 3 303.352 3.735 20 0 DHADHM CN(CCCOc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000507523552 340224370 /nfs/dbraw/zinc/22/43/70/340224370.db2.gz BDXVVYITOIZZLD-UHFFFAOYSA-N -1 3 307.340 3.571 20 0 DHADHM CC[C@@H]1CCc2nc(NC(=O)c3cccc([O-])c3)sc2C1 ZINC000508586930 340247039 /nfs/dbraw/zinc/24/70/39/340247039.db2.gz ICSUAZUSZKLLPG-SNVBAGLBSA-N -1 3 302.399 3.616 20 0 DHADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CCc2ccccc2C1 ZINC000508589440 340247199 /nfs/dbraw/zinc/24/71/99/340247199.db2.gz SIXDZDPZJMQKOJ-AWEZNQCLSA-N -1 3 303.352 3.660 20 0 DHADHM CCN(CCc1cccs1)C(=O)Cc1ccc([O-])cc1Cl ZINC000508606806 340247785 /nfs/dbraw/zinc/24/77/85/340247785.db2.gz RKRCSAOPCFORIR-UHFFFAOYSA-N -1 3 323.845 3.741 20 0 DHADHM CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc([O-])c1Cl ZINC000508774619 340252886 /nfs/dbraw/zinc/25/28/86/340252886.db2.gz NEFDGYMOPFETNJ-MRXNPFEDSA-N -1 3 319.832 3.819 20 0 DHADHM [O-]c1ccc(F)c(CN(CC2CCC2)CC(F)(F)F)c1F ZINC000509020044 340258453 /nfs/dbraw/zinc/25/84/53/340258453.db2.gz BVVPKQKUUIQWTD-UHFFFAOYSA-N -1 3 309.278 3.835 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000509093309 340261012 /nfs/dbraw/zinc/26/10/12/340261012.db2.gz HNDMTJKFLBQHMM-UHFFFAOYSA-N -1 3 303.789 3.753 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000509104378 340261389 /nfs/dbraw/zinc/26/13/89/340261389.db2.gz WAIASBVLKQNYDZ-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC2(C1)CCCCC2 ZINC000509115466 340261753 /nfs/dbraw/zinc/26/17/53/340261753.db2.gz RFEWCKWNFCAQLL-UHFFFAOYSA-N -1 3 307.821 3.771 20 0 DHADHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000509821624 340280476 /nfs/dbraw/zinc/28/04/76/340280476.db2.gz UTFRSDUAFARDMM-KGLIPLIRSA-N -1 3 305.418 3.736 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1O ZINC000510072341 340287420 /nfs/dbraw/zinc/28/74/20/340287420.db2.gz OKCHIQXHSZJVPY-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000302938923 340288033 /nfs/dbraw/zinc/28/80/33/340288033.db2.gz KLZMKLPXANEZCA-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1[O-] ZINC000302945251 340289017 /nfs/dbraw/zinc/28/90/17/340289017.db2.gz KYXBTOJHDOWTEZ-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1[O-] ZINC000302974731 340291595 /nfs/dbraw/zinc/29/15/95/340291595.db2.gz RTVPVJAMVWAJMZ-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1[O-] ZINC000302995411 340293673 /nfs/dbraw/zinc/29/36/73/340293673.db2.gz YIURWXVAIMTZNO-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cccc2[nH]cc(CCNCc3c(F)ccc([O-])c3F)c21 ZINC000510670718 340305999 /nfs/dbraw/zinc/30/59/99/340305999.db2.gz XGFCTIPOIPESRE-UHFFFAOYSA-N -1 3 316.351 3.792 20 0 DHADHM Cc1ccccc1OCCCNCc1c(F)ccc([O-])c1F ZINC000510829667 340312157 /nfs/dbraw/zinc/31/21/57/340312157.db2.gz WDKHAZIDQPHSEA-UHFFFAOYSA-N -1 3 307.340 3.538 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)c1 ZINC000303323949 340320695 /nfs/dbraw/zinc/32/06/95/340320695.db2.gz RRNURJZZMOGOFP-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CC[C@@H](CC1CCCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000511540720 340330001 /nfs/dbraw/zinc/33/00/01/340330001.db2.gz MLYJDDUDROMPOC-JTQLQIEISA-N -1 3 318.343 3.759 20 0 DHADHM CC[C@@H](CC1CCCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000511540720 340330002 /nfs/dbraw/zinc/33/00/02/340330002.db2.gz MLYJDDUDROMPOC-JTQLQIEISA-N -1 3 318.343 3.759 20 0 DHADHM CCCOc1cccc(CCNCc2c(F)ccc([O-])c2F)c1 ZINC000511747764 340336908 /nfs/dbraw/zinc/33/69/08/340336908.db2.gz AGAKQORFYIOCKZ-UHFFFAOYSA-N -1 3 321.367 3.792 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512020831 340345652 /nfs/dbraw/zinc/34/56/52/340345652.db2.gz ABBVTOOQFUROSG-IUCAKERBSA-N -1 3 310.246 3.706 20 0 DHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000303774178 340346199 /nfs/dbraw/zinc/34/61/99/340346199.db2.gz NJSLSQSTQUCQIF-ZBEGNZNMSA-N -1 3 319.788 3.552 20 0 DHADHM Cc1cccc([C@@H](NC(=O)c2cccc([O-])c2)C(F)(F)F)c1 ZINC000512476333 340363292 /nfs/dbraw/zinc/36/32/92/340363292.db2.gz AHQSEWFRRWDRPV-CQSZACIVSA-N -1 3 309.287 3.734 20 0 DHADHM CCOc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1C ZINC000521059309 340479618 /nfs/dbraw/zinc/47/96/18/340479618.db2.gz LZVDKCBTTXDHCN-UHFFFAOYSA-N -1 3 319.788 3.934 20 0 DHADHM O=C([C@H]1C[C@]12CCc1ccccc12)N1CCCc2cccc([O-])c21 ZINC000182927248 340485928 /nfs/dbraw/zinc/48/59/28/340485928.db2.gz RYBHDHZPMRPNKH-UTKZUKDTSA-N -1 3 319.404 3.576 20 0 DHADHM CCOc1ccccc1N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000182904031 340485975 /nfs/dbraw/zinc/48/59/75/340485975.db2.gz ZPOUGUGPNVMFJX-UHFFFAOYSA-N -1 3 319.788 3.650 20 0 DHADHM Cc1cccc([O-])c1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000183023957 340486190 /nfs/dbraw/zinc/48/61/90/340486190.db2.gz LXPQHDRTYGQSRH-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM O=C(CCCOc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000183275157 340487144 /nfs/dbraw/zinc/48/71/44/340487144.db2.gz HKMNGCIJIRCEBW-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(-c3ccco3)on2)c2c([O-])cccc21 ZINC000186314711 340511207 /nfs/dbraw/zinc/51/12/07/340511207.db2.gz QVDIYMHEOXPTBN-LLVKDONJSA-N -1 3 324.336 3.794 20 0 DHADHM Cc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)c(C)s1 ZINC000186728850 340515492 /nfs/dbraw/zinc/51/54/92/340515492.db2.gz ISVUOHFPCAKMOK-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM Cc1ccc(C(=O)C(=O)Nc2ccc([O-])c3ccccc23)cc1 ZINC000522841323 340607868 /nfs/dbraw/zinc/60/78/68/340607868.db2.gz UPSPYKVJNVREAP-UHFFFAOYSA-N -1 3 305.333 3.675 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1F ZINC000303251355 340634012 /nfs/dbraw/zinc/63/40/12/340634012.db2.gz FWGBJGVUGAUQET-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C ZINC000525330788 340700522 /nfs/dbraw/zinc/70/05/22/340700522.db2.gz IXHLZENPVCLQKI-UHFFFAOYSA-N -1 3 312.394 3.652 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000526014175 340708638 /nfs/dbraw/zinc/70/86/38/340708638.db2.gz DJNYLGUXYVOPRD-NSHDSACASA-N -1 3 323.314 3.945 20 0 DHADHM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccccc1[O-] ZINC000071448769 340710997 /nfs/dbraw/zinc/71/09/97/340710997.db2.gz FBCDEDAWONNICC-UHFFFAOYSA-N -1 3 315.760 3.508 20 0 DHADHM O=S(=O)(CCc1ccccc1)[N-]c1cccc2ccccc21 ZINC000244405778 340713784 /nfs/dbraw/zinc/71/37/84/340713784.db2.gz YMZOYLVXEPFMOA-UHFFFAOYSA-N -1 3 311.406 3.824 20 0 DHADHM C[C@H]1CCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)c2c([O-])cccc21 ZINC000529053266 340743674 /nfs/dbraw/zinc/74/36/74/340743674.db2.gz DUGQQHFQJKCODR-JSGCOSHPSA-N -1 3 317.429 3.826 20 0 DHADHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1ccccc1[O-] ZINC000530038054 340778109 /nfs/dbraw/zinc/77/81/09/340778109.db2.gz ZTQQFKBFJRIUKQ-INIZCTEOSA-N -1 3 313.372 3.940 20 0 DHADHM COC1(CS(=O)(=O)[N-]c2ccc3occc3c2)CCCCC1 ZINC000530145647 340780716 /nfs/dbraw/zinc/78/07/16/340780716.db2.gz UGAFBBQQDPRZIC-UHFFFAOYSA-N -1 3 323.414 3.524 20 0 DHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1 ZINC000064467892 340803727 /nfs/dbraw/zinc/80/37/27/340803727.db2.gz VIZXGEFCRMDZHD-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM O=C(c1cnc2ccsc2c1)N1CCCc2cccc([O-])c21 ZINC000538715744 340840084 /nfs/dbraw/zinc/84/00/84/340840084.db2.gz CNCONGSLZWHFBI-UHFFFAOYSA-N -1 3 310.378 3.595 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1SCCc2sccc21 ZINC000128356878 340877720 /nfs/dbraw/zinc/87/77/20/340877720.db2.gz WRLOGPFUFRQULN-ZDUSSCGKSA-N -1 3 309.387 3.562 20 0 DHADHM COc1cc(C2(C(=O)Nc3cccc([O-])c3F)CC2)ccc1C ZINC000128612517 340900050 /nfs/dbraw/zinc/90/00/50/340900050.db2.gz OZDNDRDCZJYXFU-UHFFFAOYSA-N -1 3 315.344 3.519 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000128664971 340903801 /nfs/dbraw/zinc/90/38/01/340903801.db2.gz ZDJMHIGPXOSPNU-DTWKUNHWSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1cc(C(=O)NCc2cc3c(s2)CCCC3)ccc1[O-] ZINC000541855006 340986052 /nfs/dbraw/zinc/98/60/52/340986052.db2.gz WARRSBZHDNKBAO-UHFFFAOYSA-N -1 3 301.411 3.571 20 0 DHADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000542909508 341026092 /nfs/dbraw/zinc/02/60/92/341026092.db2.gz VHSGAJOXCGYJBZ-AAEUAGOBSA-N -1 3 311.809 3.888 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2Cl)s1 ZINC000543032869 341028871 /nfs/dbraw/zinc/02/88/71/341028871.db2.gz ZCSOTCBQWYEIGS-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CCc1c(C)sc2[n-]c(COc3ccccc3C)nc(=O)c12 ZINC000130612102 341032824 /nfs/dbraw/zinc/03/28/24/341032824.db2.gz YROGJNWVKPESPH-UHFFFAOYSA-N -1 3 314.410 3.743 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c1 ZINC000543367533 341040966 /nfs/dbraw/zinc/04/09/66/341040966.db2.gz GXUJWIZLJIVNCZ-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM C[C@H]1C[C@@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCO1 ZINC000545091957 341108002 /nfs/dbraw/zinc/10/80/02/341108002.db2.gz HQENJRPVQDQEGQ-AAEUAGOBSA-N -1 3 314.385 3.604 20 0 DHADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000545246041 341117127 /nfs/dbraw/zinc/11/71/27/341117127.db2.gz WDSHCMBJURJTRC-KFWWJZLASA-N -1 3 317.429 3.828 20 0 DHADHM Cc1noc(-c2ccc(C)c(NCc3cc([O-])cc(F)c3)c2)n1 ZINC000545315439 341120870 /nfs/dbraw/zinc/12/08/70/341120870.db2.gz SDFYXROOYLLTIA-UHFFFAOYSA-N -1 3 313.332 3.810 20 0 DHADHM CCc1ccc([O-])c(-c2nc([C@@H]3OCCc4ccccc43)no2)c1 ZINC000545709247 341137232 /nfs/dbraw/zinc/13/72/32/341137232.db2.gz GHAPJSSKHCWXLO-QGZVFWFLSA-N -1 3 322.364 3.667 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)c2c([O-])cccc21 ZINC000545953764 341148173 /nfs/dbraw/zinc/14/81/73/341148173.db2.gz SMRJOQVQJSJSJN-LLVKDONJSA-N -1 3 323.352 3.529 20 0 DHADHM Cc1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cn1 ZINC000546273814 341160599 /nfs/dbraw/zinc/16/05/99/341160599.db2.gz LGUMMCDRGLKQGV-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000076516252 341208812 /nfs/dbraw/zinc/20/88/12/341208812.db2.gz XPURJELWFIAJGH-ZFWWWQNUSA-N -1 3 313.372 3.858 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000077612549 341227345 /nfs/dbraw/zinc/22/73/45/341227345.db2.gz SYZWGEGKRISERE-NXEZZACHSA-N -1 3 305.736 3.927 20 0 DHADHM COc1cc(C)ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000547721771 341228770 /nfs/dbraw/zinc/22/87/70/341228770.db2.gz SMSFTKIKDIIVCR-ZDUSSCGKSA-N -1 3 311.381 3.863 20 0 DHADHM C[C@H]1C[C@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000547769522 341231439 /nfs/dbraw/zinc/23/14/39/341231439.db2.gz JGQJAJIORORQMW-UWVGGRQHSA-N -1 3 315.398 3.640 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000547839154 341236735 /nfs/dbraw/zinc/23/67/35/341236735.db2.gz KFPPCQVBYSCUFC-GXFFZTMASA-N -1 3 315.335 3.758 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000078243761 341238910 /nfs/dbraw/zinc/23/89/10/341238910.db2.gz LMDDDOHAZMMJNJ-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM [O-]c1ccc(Cc2nc([C@H]3Cc4ccccc43)no2)c(Cl)c1 ZINC000547942520 341239762 /nfs/dbraw/zinc/23/97/62/341239762.db2.gz KAHLZWOTXZAPLN-AWEZNQCLSA-N -1 3 312.756 3.707 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000564336635 341242230 /nfs/dbraw/zinc/24/22/30/341242230.db2.gz CNDHVPWPLPIHTG-CQSZACIVSA-N -1 3 315.344 3.525 20 0 DHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000136284380 341256310 /nfs/dbraw/zinc/25/63/10/341256310.db2.gz SYFRJBMLGPYGLM-FFSVYQOJSA-N -1 3 307.821 3.768 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000080038905 341268778 /nfs/dbraw/zinc/26/87/78/341268778.db2.gz ASGJJPMKKPPLRB-UHFFFAOYSA-N -1 3 305.443 3.593 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCCc2sccc21 ZINC000137392177 341274524 /nfs/dbraw/zinc/27/45/24/341274524.db2.gz ANFUGDSDOQPKHT-CQSZACIVSA-N -1 3 321.829 3.843 20 0 DHADHM COc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458761 341291625 /nfs/dbraw/zinc/29/16/25/341291625.db2.gz QEKBXAMRXUPBEN-UHFFFAOYSA-N -1 3 317.288 3.733 20 0 DHADHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000550648994 341320493 /nfs/dbraw/zinc/32/04/93/341320493.db2.gz UKQKZYDZNYXLTC-OAHLLOKOSA-N -1 3 317.772 3.526 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000551075675 341331126 /nfs/dbraw/zinc/33/11/26/341331126.db2.gz RIIBFDTUSNHOHB-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000551075675 341331127 /nfs/dbraw/zinc/33/11/27/341331127.db2.gz RIIBFDTUSNHOHB-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM CC[C@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000551920139 341354968 /nfs/dbraw/zinc/35/49/68/341354968.db2.gz FUYAQKKCZQHBCT-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])sc1C ZINC000552069969 341367205 /nfs/dbraw/zinc/36/72/05/341367205.db2.gz VIPWYQPPPGSLHS-UHFFFAOYSA-N -1 3 303.383 3.779 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1[O-] ZINC000552287026 341384318 /nfs/dbraw/zinc/38/43/18/341384318.db2.gz FVRCCCKXTYBRQS-INIZCTEOSA-N -1 3 309.365 3.653 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000089393494 341404003 /nfs/dbraw/zinc/40/40/03/341404003.db2.gz BWLPCIBFGOQWJY-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM O=C(c1cccc([O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552961878 341410722 /nfs/dbraw/zinc/41/07/22/341410722.db2.gz VDJUUPSHNKERTF-OTWHNJEPSA-N -1 3 307.393 3.801 20 0 DHADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000152991811 341516419 /nfs/dbraw/zinc/51/64/19/341516419.db2.gz UNUCOPISMPVOPF-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000155229916 341604433 /nfs/dbraw/zinc/60/44/33/341604433.db2.gz YBJMBGZEGUMXAR-JTQLQIEISA-N -1 3 322.767 3.745 20 0 DHADHM O=C(CCCOc1ccccc1)N1CCCc2cccc([O-])c21 ZINC000155591539 341610107 /nfs/dbraw/zinc/61/01/07/341610107.db2.gz ITRFQEDZPXJJNG-UHFFFAOYSA-N -1 3 311.381 3.531 20 0 DHADHM CCOc1cc(C(=O)[N-]c2ncc(C3CCCCC3)s2)on1 ZINC000576194292 341832298 /nfs/dbraw/zinc/83/22/98/341832298.db2.gz NJUYPLPRSAPSCM-UHFFFAOYSA-N -1 3 321.402 3.830 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000178326013 341951617 /nfs/dbraw/zinc/95/16/17/341951617.db2.gz WJKCYILNYQOZPB-UWVGGRQHSA-N -1 3 307.271 3.552 20 0 DHADHM CC(C)(C)c1csc([C@@H]([N-]C(=O)C(F)F)c2ccccc2)n1 ZINC000365115608 519088162 /nfs/dbraw/zinc/08/81/62/519088162.db2.gz GXBMOZGAZDRZQD-LBPRGKRZSA-N -1 3 324.396 3.911 20 0 DHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000365040881 519172574 /nfs/dbraw/zinc/17/25/74/519172574.db2.gz AAKLTMJWVKDMNB-INIZCTEOSA-N -1 3 317.408 3.650 20 0 DHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cnccn1 ZINC000104483166 519788092 /nfs/dbraw/zinc/78/80/92/519788092.db2.gz OEKUHUZODXFGMS-UHFFFAOYSA-N -1 3 307.806 3.883 20 0 DHADHM CC(C)c1noc([N-]Cc2ccc(CSC(F)F)o2)n1 ZINC000181855683 519906766 /nfs/dbraw/zinc/90/67/66/519906766.db2.gz AKCXLIVPCNZJRE-UHFFFAOYSA-N -1 3 303.334 3.854 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177201588 521357720 /nfs/dbraw/zinc/35/77/20/521357720.db2.gz KGZSCTXMFIZDHE-SNVBAGLBSA-N -1 3 324.450 3.510 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000157363119 521711043 /nfs/dbraw/zinc/71/10/43/521711043.db2.gz UDJPSMMJSQGYJM-LLVKDONJSA-N -1 3 315.866 3.578 20 0 DHADHM CC[C@H](C)c1ccccc1OCC(=O)[N-]c1onc(C)c1C ZINC000266184330 522049780 /nfs/dbraw/zinc/04/97/80/522049780.db2.gz MDSWEFNMOJGZBU-NSHDSACASA-N -1 3 302.374 3.822 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)c2cccc(Cl)c2)n1 ZINC000182588497 523836487 /nfs/dbraw/zinc/83/64/87/523836487.db2.gz DYPJGVUZKGDPNK-AWEZNQCLSA-N -1 3 305.809 3.639 20 0 DHADHM CCc1cc2c(CSc3nc(C)co3)cc(=O)oc2cc1[O-] ZINC000188341561 523845771 /nfs/dbraw/zinc/84/57/71/523845771.db2.gz PEXSZDAELJCSNP-UHFFFAOYSA-N -1 3 317.366 3.650 20 0 DHADHM Cc1cc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c(C)s1 ZINC000156404899 525453416 /nfs/dbraw/zinc/45/34/16/525453416.db2.gz GSNKTWMADWDXHN-SNVBAGLBSA-N -1 3 322.405 3.770 20 0 DHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265694091 525512016 /nfs/dbraw/zinc/51/20/16/525512016.db2.gz XBZIDWVWCVOORD-XNJGSVPQSA-N -1 3 310.397 3.734 20 0 DHADHM Cc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)c1 ZINC000264929400 525630819 /nfs/dbraw/zinc/63/08/19/525630819.db2.gz NASHCRSCAJKZIR-UHFFFAOYSA-N -1 3 315.423 3.806 20 0 DHADHM Cc1ccc([C@@H](c2ccccn2)N(C)CCCCC(=O)[O-])cc1 ZINC000367823486 525786371 /nfs/dbraw/zinc/78/63/71/525786371.db2.gz PGKTYHJFCCONOP-IBGZPJMESA-N -1 3 312.413 3.666 20 0 DHADHM Cc1ccc(-c2nc([N-]C(=O)c3cnns3)sc2C)s1 ZINC000103412517 525817563 /nfs/dbraw/zinc/81/75/63/525817563.db2.gz LDORUYVDWWQCJJ-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM Cc1ccsc1C[N-]c1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000181955300 525864908 /nfs/dbraw/zinc/86/49/08/525864908.db2.gz XFHKOJDRWMGFRU-CYBMUJFWSA-N -1 3 313.382 3.728 20 0 DHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816716 526038281 /nfs/dbraw/zinc/03/82/81/526038281.db2.gz SCMGYFPVCKUMRU-WCABBAIRSA-N -1 3 302.201 3.707 20 0 DHADHM COc1cccc(F)c1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000338468608 526121758 /nfs/dbraw/zinc/12/17/58/526121758.db2.gz FQQWYFVTXIJDCO-UHFFFAOYSA-N -1 3 320.267 3.562 20 0 DHADHM Cc1ccc2c(CN3CCc4ccc(O)cc4C3)ccc([O-])c2n1 ZINC000338277956 526130016 /nfs/dbraw/zinc/13/00/16/526130016.db2.gz VXOHPJRPVUBNGY-UHFFFAOYSA-N -1 3 320.392 3.513 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CCCN3c3ccccc3)n2)cc1 ZINC000365139442 526338421 /nfs/dbraw/zinc/33/84/21/526338421.db2.gz ZFNZAXOZSGWUFP-INIZCTEOSA-N -1 3 307.353 3.784 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(SC(F)F)c1 ZINC000155986715 526850351 /nfs/dbraw/zinc/85/03/51/526850351.db2.gz UUPWWUSKIWDLRP-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(SC(F)F)c1 ZINC000155986715 526850355 /nfs/dbraw/zinc/85/03/55/526850355.db2.gz UUPWWUSKIWDLRP-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000364194247 526905851 /nfs/dbraw/zinc/90/58/51/526905851.db2.gz YYHJJRSLBUFWIC-MRXNPFEDSA-N -1 3 324.405 3.979 20 0 DHADHM O=S(=O)([N-]c1c(F)cccc1Oc1ccccc1)C1CC1 ZINC000107067572 527244848 /nfs/dbraw/zinc/24/48/48/527244848.db2.gz XHVHXHCUYAWKQA-UHFFFAOYSA-N -1 3 307.346 3.522 20 0 DHADHM Cc1ccc(Cl)c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737341912 598934602 /nfs/dbraw/zinc/93/46/02/598934602.db2.gz BHKMDPPHLVOVCC-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM Cc1ccc(Cl)c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737341912 598934603 /nfs/dbraw/zinc/93/46/03/598934603.db2.gz BHKMDPPHLVOVCC-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM C[C@@H](SCCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187972 599009428 /nfs/dbraw/zinc/00/94/28/599009428.db2.gz FMNAXMANQUJAAP-MRVPVSSYSA-N -1 3 302.325 3.613 20 0 DHADHM C[C@@H](SCCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187972 599009430 /nfs/dbraw/zinc/00/94/30/599009430.db2.gz FMNAXMANQUJAAP-MRVPVSSYSA-N -1 3 302.325 3.613 20 0 DHADHM Cc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737389928 599066572 /nfs/dbraw/zinc/06/65/72/599066572.db2.gz QSNQIPNNAHLSJX-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736193482 599109245 /nfs/dbraw/zinc/10/92/45/599109245.db2.gz RVJPMAXQEQEZJS-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736193482 599109248 /nfs/dbraw/zinc/10/92/48/599109248.db2.gz RVJPMAXQEQEZJS-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM CCSc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821461831 607316768 /nfs/dbraw/zinc/31/67/68/607316768.db2.gz USAHSTRRGHDJMK-UHFFFAOYSA-N -1 3 311.414 3.591 20 0 DHADHM CCSc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461831 607316769 /nfs/dbraw/zinc/31/67/69/607316769.db2.gz USAHSTRRGHDJMK-UHFFFAOYSA-N -1 3 311.414 3.591 20 0 DHADHM CCSc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821462291 607316953 /nfs/dbraw/zinc/31/69/53/607316953.db2.gz YQYOUESLNXXDLK-UHFFFAOYSA-N -1 3 317.443 3.652 20 0 DHADHM CCSc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821462291 607316954 /nfs/dbraw/zinc/31/69/54/607316954.db2.gz YQYOUESLNXXDLK-UHFFFAOYSA-N -1 3 317.443 3.652 20 0 DHADHM CC(C)OCc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000666573387 598202367 /nfs/dbraw/zinc/20/23/67/598202367.db2.gz GJWSDLCUBDXPNQ-UHFFFAOYSA-N -1 3 313.397 3.600 20 0 DHADHM CCc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736689473 598234776 /nfs/dbraw/zinc/23/47/76/598234776.db2.gz XMYKLNAQTCRRJI-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736330303 598277784 /nfs/dbraw/zinc/27/77/84/598277784.db2.gz CDSGCSZMGWLWHQ-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736330303 598277785 /nfs/dbraw/zinc/27/77/85/598277785.db2.gz CDSGCSZMGWLWHQ-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC000736138532 598426711 /nfs/dbraw/zinc/42/67/11/598426711.db2.gz NFSULAQICRSQDP-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC000736138532 598426713 /nfs/dbraw/zinc/42/67/13/598426713.db2.gz NFSULAQICRSQDP-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM c1ccc(N(Cc2cccc(-c3nnn[n-]3)c2)C2CCCC2)cc1 ZINC000738437163 598541331 /nfs/dbraw/zinc/54/13/31/598541331.db2.gz ZOOXAAQFUHXNCL-UHFFFAOYSA-N -1 3 319.412 3.816 20 0 DHADHM c1ccc(N(Cc2cccc(-c3nn[n-]n3)c2)C2CCCC2)cc1 ZINC000738437163 598541332 /nfs/dbraw/zinc/54/13/32/598541332.db2.gz ZOOXAAQFUHXNCL-UHFFFAOYSA-N -1 3 319.412 3.816 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736446112 598571949 /nfs/dbraw/zinc/57/19/49/598571949.db2.gz MZFNXJGGZAAWML-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736446112 598571950 /nfs/dbraw/zinc/57/19/50/598571950.db2.gz MZFNXJGGZAAWML-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM Clc1cc(N[C@@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737566586 598637778 /nfs/dbraw/zinc/63/77/78/598637778.db2.gz VMPUBJXGCFIIFQ-OAHLLOKOSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1cc(N[C@@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737566586 598637780 /nfs/dbraw/zinc/63/77/80/598637780.db2.gz VMPUBJXGCFIIFQ-OAHLLOKOSA-N -1 3 311.776 3.620 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736065619 598794219 /nfs/dbraw/zinc/79/42/19/598794219.db2.gz FLQVSDSOTYRCGK-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736065619 598794220 /nfs/dbraw/zinc/79/42/20/598794220.db2.gz FLQVSDSOTYRCGK-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccs1 ZINC000736139996 599394834 /nfs/dbraw/zinc/39/48/34/599394834.db2.gz SMZBKKGOVCLCII-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccs1 ZINC000736139996 599394836 /nfs/dbraw/zinc/39/48/36/599394836.db2.gz SMZBKKGOVCLCII-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM Cc1ccsc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822378864 599496535 /nfs/dbraw/zinc/49/65/35/599496535.db2.gz GQSZPNKMAYSELR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822228882 599491157 /nfs/dbraw/zinc/49/11/57/599491157.db2.gz HRZGKMNRFNZLEY-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822228882 599491160 /nfs/dbraw/zinc/49/11/60/599491160.db2.gz HRZGKMNRFNZLEY-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM Cc1ccsc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822378864 599496533 /nfs/dbraw/zinc/49/65/33/599496533.db2.gz GQSZPNKMAYSELR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736370922 599528176 /nfs/dbraw/zinc/52/81/76/599528176.db2.gz UBBUCSULCRDHSY-OAHLLOKOSA-N -1 3 315.327 3.708 20 0 DHADHM C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000736193340 599532022 /nfs/dbraw/zinc/53/20/22/599532022.db2.gz PHMULJHZUBZLLW-MRVPVSSYSA-N -1 3 306.391 3.921 20 0 DHADHM Cc1cc(C)cc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822196779 599544411 /nfs/dbraw/zinc/54/44/11/599544411.db2.gz WXVUQMFUGHBACI-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cc(C)cc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822196779 599544413 /nfs/dbraw/zinc/54/44/13/599544413.db2.gz WXVUQMFUGHBACI-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(C)n1C1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000738578652 599714659 /nfs/dbraw/zinc/71/46/59/599714659.db2.gz HFNKAVDCVSQGFB-AWEZNQCLSA-N -1 3 316.401 3.794 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000314653826 600220996 /nfs/dbraw/zinc/22/09/96/600220996.db2.gz DKVIKOKVEZGWFZ-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000736662076 600416802 /nfs/dbraw/zinc/41/68/02/600416802.db2.gz LHYLWOXGIIOJKU-ZUZCIYMTSA-N -1 3 307.752 3.956 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000050509340 600427506 /nfs/dbraw/zinc/42/75/06/600427506.db2.gz JZWXHMMINYKKLW-BMIGLBTASA-N -1 3 307.752 3.956 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1 ZINC000739509925 600428609 /nfs/dbraw/zinc/42/86/09/600428609.db2.gz VWAITXDNKMFUGV-JKSUJKDBSA-N -1 3 319.763 3.882 20 0 DHADHM CCOc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737211347 600429945 /nfs/dbraw/zinc/42/99/45/600429945.db2.gz RWBQHMLUNHFXEO-YVEFUNNKSA-N -1 3 317.360 3.701 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1nc2ccccc2s1 ZINC000822740997 607456691 /nfs/dbraw/zinc/45/66/91/607456691.db2.gz PSVVCHDJNHVGGS-BQYQJAHWSA-N -1 3 323.356 3.786 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1nc2ccccc2s1 ZINC000822740997 607456692 /nfs/dbraw/zinc/45/66/92/607456692.db2.gz PSVVCHDJNHVGGS-BQYQJAHWSA-N -1 3 323.356 3.786 20 0 DHADHM CCc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830236977 600732431 /nfs/dbraw/zinc/73/24/31/600732431.db2.gz FJLOFHDEGQAKPC-YVEFUNNKSA-N -1 3 301.361 3.865 20 0 DHADHM Cc1ccccc1-c1cnc(CN(CCC(=O)[O-])CC(C)C)o1 ZINC000565104541 600820796 /nfs/dbraw/zinc/82/07/96/600820796.db2.gz DNYQMRFYRVHHNL-UHFFFAOYSA-N -1 3 316.401 3.583 20 0 DHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccoc2C(=O)[O-])o1 ZINC000652438737 600857721 /nfs/dbraw/zinc/85/77/21/600857721.db2.gz AYPWLRWHRDKHFT-SMDDNHRTSA-N -1 3 303.358 3.852 20 0 DHADHM C[C@H]1CCN(Cc2occc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000576950943 601117881 /nfs/dbraw/zinc/11/78/81/601117881.db2.gz UHCPSMZQBOGYDU-ZBEGNZNMSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCSC2(CCCCC2)C1 ZINC000827927696 601157686 /nfs/dbraw/zinc/15/76/86/601157686.db2.gz AACGYMCDLKZPJH-GFCCVEGCSA-N -1 3 309.431 3.791 20 0 DHADHM C/C(=C\CN(Cc1ccccc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000825729808 601157719 /nfs/dbraw/zinc/15/77/19/601157719.db2.gz MZVJTIIFJCHMAF-DHZHZOJOSA-N -1 3 313.319 3.701 20 0 DHADHM C/C(=C/CN1Cc2ccccc2C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825747287 601177657 /nfs/dbraw/zinc/17/76/57/601177657.db2.gz RREIHLGMNOESHQ-ILCZHQDMSA-N -1 3 307.393 3.817 20 0 DHADHM Cc1nc(C)c(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000566510369 601432653 /nfs/dbraw/zinc/43/26/53/601432653.db2.gz PLAOKGSKFUKYCP-LSDHHAIUSA-N -1 3 322.474 3.615 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000833032654 601621361 /nfs/dbraw/zinc/62/13/61/601621361.db2.gz KLILHWVFQAUWCA-HNNXBMFYSA-N -1 3 317.410 3.797 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)cc1 ZINC000833032252 601628951 /nfs/dbraw/zinc/62/89/51/601628951.db2.gz WEUKJCUPXBAVEE-UHFFFAOYSA-N -1 3 307.390 3.919 20 0 DHADHM O=C([O-])c1sccc1CN1CCCCC[C@H]1c1ccncc1 ZINC000833348700 601808484 /nfs/dbraw/zinc/80/84/84/601808484.db2.gz PPGXKDKRCRIWRJ-HNNXBMFYSA-N -1 3 316.426 3.959 20 0 DHADHM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1 ZINC000652376253 601938459 /nfs/dbraw/zinc/93/84/59/601938459.db2.gz ALVBOGJBFMTJGL-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2ccccc2C)o1 ZINC000828804269 602212191 /nfs/dbraw/zinc/21/21/91/602212191.db2.gz KFPBIHHEPDQZGU-UHFFFAOYSA-N -1 3 316.401 3.773 20 0 DHADHM Cc1cc([C@H](C)N(C)CCOc2ccccc2C)oc1C(=O)[O-] ZINC000571887561 604381095 /nfs/dbraw/zinc/38/10/95/604381095.db2.gz GEVNDIYRUCBXDB-AWEZNQCLSA-N -1 3 317.385 3.666 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccccc2C(=O)[O-])s1 ZINC000573690427 604634203 /nfs/dbraw/zinc/63/42/03/604634203.db2.gz XPZXVGBHTIBSQK-LLVKDONJSA-N -1 3 304.415 3.651 20 0 DHADHM FC(F)(F)CCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826367906 607710299 /nfs/dbraw/zinc/71/02/99/607710299.db2.gz TXUAHBIPTYEDEJ-UHFFFAOYSA-N -1 3 320.702 3.632 20 0 DHADHM FC(F)(F)CCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826367906 607710301 /nfs/dbraw/zinc/71/03/01/607710301.db2.gz TXUAHBIPTYEDEJ-UHFFFAOYSA-N -1 3 320.702 3.632 20 0 DHADHM FC(F)(F)CCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000826367800 607713748 /nfs/dbraw/zinc/71/37/48/607713748.db2.gz OQMXAZYZOHECPQ-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM FC(F)(F)CCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000826367800 607713749 /nfs/dbraw/zinc/71/37/49/607713749.db2.gz OQMXAZYZOHECPQ-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000317666672 604939527 /nfs/dbraw/zinc/93/95/27/604939527.db2.gz JZSPEOJZSCLRQG-GFCCVEGCSA-N -1 3 318.442 3.619 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000827718509 604994523 /nfs/dbraw/zinc/99/45/23/604994523.db2.gz UFZHFIVHSXJBHU-DYVFJYSZSA-N -1 3 312.413 3.856 20 0 DHADHM CC(C)(C)c1nc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC000833450656 605061036 /nfs/dbraw/zinc/06/10/36/605061036.db2.gz HFSPFMVCSQWIKE-MLGOLLRUSA-N -1 3 310.463 3.564 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1ccc(OC)cc1 ZINC000833681186 605063683 /nfs/dbraw/zinc/06/36/83/605063683.db2.gz WLWQLXBLUGIIFP-OAHLLOKOSA-N -1 3 317.385 3.790 20 0 DHADHM CCOc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000833663428 605067385 /nfs/dbraw/zinc/06/73/85/605067385.db2.gz JFZXDWBIPDLMQR-LLVKDONJSA-N -1 3 305.399 3.696 20 0 DHADHM C[C@H]1CCN(Cc2ccccc2CC(=O)[O-])[C@H](c2ccco2)C1 ZINC000833616377 605071988 /nfs/dbraw/zinc/07/19/88/605071988.db2.gz SLNBEQHYBPTBLP-YOEHRIQHSA-N -1 3 313.397 3.880 20 0 DHADHM CC1(C)C[C@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000263381381 605116643 /nfs/dbraw/zinc/11/66/43/605116643.db2.gz BRONEQWYKKTIBI-INIZCTEOSA-N -1 3 311.381 3.777 20 0 DHADHM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000833460869 605170315 /nfs/dbraw/zinc/17/03/15/605170315.db2.gz LQMDIDMIIZUNRW-UHFFFAOYSA-N -1 3 323.314 3.827 20 0 DHADHM CC(C)[C@@H](C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000515306234 605203192 /nfs/dbraw/zinc/20/31/92/605203192.db2.gz ZZOJVVXPALUNAJ-GFCCVEGCSA-N -1 3 302.374 3.516 20 0 DHADHM C[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000520823936 605209909 /nfs/dbraw/zinc/20/99/09/605209909.db2.gz OYTWBBROMNGUFR-OLZOCXBDSA-N -1 3 314.385 3.660 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000833420274 605549417 /nfs/dbraw/zinc/54/94/17/605549417.db2.gz PVOZONGTQXEIRF-NSHDSACASA-N -1 3 301.839 3.724 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](NCc2coc3ccccc23)c2ccccc21 ZINC000834157522 605804977 /nfs/dbraw/zinc/80/49/77/605804977.db2.gz JDZWMMGWDHOUIK-IAGOWNOFSA-N -1 3 322.364 3.976 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc2ccccc21 ZINC000820456337 606026725 /nfs/dbraw/zinc/02/67/25/606026725.db2.gz STBWBAHJASESIS-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc2ccccc21 ZINC000820456337 606026731 /nfs/dbraw/zinc/02/67/31/606026731.db2.gz STBWBAHJASESIS-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM CC(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000820056574 606102552 /nfs/dbraw/zinc/10/25/52/606102552.db2.gz QPQHBESSVTWGDM-GFCCVEGCSA-N -1 3 314.418 3.523 20 0 DHADHM CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000820056574 606102554 /nfs/dbraw/zinc/10/25/54/606102554.db2.gz QPQHBESSVTWGDM-GFCCVEGCSA-N -1 3 314.418 3.523 20 0 DHADHM c1ccc2nc(CSc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000823762937 606330019 /nfs/dbraw/zinc/33/00/19/606330019.db2.gz WWQXWAUGEUDIRU-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2nc(CSc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000823762937 606330022 /nfs/dbraw/zinc/33/00/22/606330022.db2.gz WWQXWAUGEUDIRU-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820455528 606421408 /nfs/dbraw/zinc/42/14/08/606421408.db2.gz JCXKPIISAXBYBI-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000822191782 606430996 /nfs/dbraw/zinc/43/09/96/606430996.db2.gz QGWBZLLXIMPPFN-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000822191782 606430998 /nfs/dbraw/zinc/43/09/98/606430998.db2.gz QGWBZLLXIMPPFN-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CCCc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821142320 606446662 /nfs/dbraw/zinc/44/66/62/606446662.db2.gz GPIFLVWGRSHDPH-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCCc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821142320 606446665 /nfs/dbraw/zinc/44/66/65/606446665.db2.gz GPIFLVWGRSHDPH-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CC(C)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820098312 606456888 /nfs/dbraw/zinc/45/68/88/606456888.db2.gz WKMSUGIXJYLCGS-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM CC(C)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820098312 606456889 /nfs/dbraw/zinc/45/68/89/606456889.db2.gz WKMSUGIXJYLCGS-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM CC(C)(C)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819957499 606635648 /nfs/dbraw/zinc/63/56/48/606635648.db2.gz ABOICWXDJXFDPT-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819957499 606635649 /nfs/dbraw/zinc/63/56/49/606635649.db2.gz ABOICWXDJXFDPT-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM Cc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822271059 607005622 /nfs/dbraw/zinc/00/56/22/607005622.db2.gz KWXCUBDKFCYGOZ-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822271059 607005625 /nfs/dbraw/zinc/00/56/25/607005625.db2.gz KWXCUBDKFCYGOZ-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000820882137 607243462 /nfs/dbraw/zinc/24/34/62/607243462.db2.gz KQOVCEGTUAVETL-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000820882137 607243463 /nfs/dbraw/zinc/24/34/63/607243463.db2.gz KQOVCEGTUAVETL-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM Clc1ccc(Cl)c(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826352381 607808075 /nfs/dbraw/zinc/80/80/75/607808075.db2.gz YPLFLDOQRGTEHT-RJRFIUFISA-N -1 3 318.167 3.739 20 0 DHADHM Clc1ccc(Cl)c(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826352381 607808076 /nfs/dbraw/zinc/80/80/76/607808076.db2.gz YPLFLDOQRGTEHT-RJRFIUFISA-N -1 3 318.167 3.739 20 0 DHADHM Cc1cnc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826318728 608238404 /nfs/dbraw/zinc/23/84/04/608238404.db2.gz WSWFXEGLOGLJJQ-SNVBAGLBSA-N -1 3 317.443 3.626 20 0 DHADHM Cc1cnc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826318728 608238406 /nfs/dbraw/zinc/23/84/06/608238406.db2.gz WSWFXEGLOGLJJQ-SNVBAGLBSA-N -1 3 317.443 3.626 20 0 DHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000826291772 608450216 /nfs/dbraw/zinc/45/02/16/608450216.db2.gz VNUWBJJRCBJVOG-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000826291772 608450218 /nfs/dbraw/zinc/45/02/18/608450218.db2.gz VNUWBJJRCBJVOG-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1c(Cl)cccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826237284 608479330 /nfs/dbraw/zinc/47/93/30/608479330.db2.gz UVQPEOWOVUUDSP-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1c(Cl)cccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826237284 608479331 /nfs/dbraw/zinc/47/93/31/608479331.db2.gz UVQPEOWOVUUDSP-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Fc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826375772 608670021 /nfs/dbraw/zinc/67/00/21/608670021.db2.gz AYGRECCIZQDYSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826375772 608670023 /nfs/dbraw/zinc/67/00/23/608670023.db2.gz AYGRECCIZQDYSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM CCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825721716 609162510 /nfs/dbraw/zinc/16/25/10/609162510.db2.gz AAKRBPNJRXYQCI-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825721716 609162512 /nfs/dbraw/zinc/16/25/12/609162512.db2.gz AAKRBPNJRXYQCI-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC000826270725 609251900 /nfs/dbraw/zinc/25/19/00/609251900.db2.gz MFNUPHGKUPUFPB-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826270725 609251901 /nfs/dbraw/zinc/25/19/01/609251901.db2.gz MFNUPHGKUPUFPB-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(C)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826285401 609272468 /nfs/dbraw/zinc/27/24/68/609272468.db2.gz YZDUQCAZYLZXNG-QGZVFWFLSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1ccc(C)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826285401 609272470 /nfs/dbraw/zinc/27/24/70/609272470.db2.gz YZDUQCAZYLZXNG-QGZVFWFLSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826289604 609272639 /nfs/dbraw/zinc/27/26/39/609272639.db2.gz GSYZBFLEXDRYFA-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826289604 609272640 /nfs/dbraw/zinc/27/26/40/609272640.db2.gz GSYZBFLEXDRYFA-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826268261 609273716 /nfs/dbraw/zinc/27/37/16/609273716.db2.gz PVWNWUPRYRAYMR-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826268261 609273718 /nfs/dbraw/zinc/27/37/18/609273718.db2.gz PVWNWUPRYRAYMR-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CC[C@@H](C)CCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825059767 609505706 /nfs/dbraw/zinc/50/57/06/609505706.db2.gz KIFWDGPDVAVQLU-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CC[C@@H](C)CCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825059767 609505709 /nfs/dbraw/zinc/50/57/09/609505709.db2.gz KIFWDGPDVAVQLU-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM C[C@H](CSc1cccc(Cl)c1-c1nnn[n-]1)C(F)(F)F ZINC000824448183 946712227 /nfs/dbraw/zinc/71/22/27/946712227.db2.gz GRQOXKIMARPAHH-ZCFIWIBFSA-N -1 3 322.743 3.811 20 0 DHADHM C[C@H](CSc1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824448183 946712242 /nfs/dbraw/zinc/71/22/42/946712242.db2.gz GRQOXKIMARPAHH-ZCFIWIBFSA-N -1 3 322.743 3.811 20 0 DHADHM CSc1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230449 947675358 /nfs/dbraw/zinc/67/53/58/947675358.db2.gz UNKJOSILWSBZCS-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230449 947675366 /nfs/dbraw/zinc/67/53/66/947675366.db2.gz UNKJOSILWSBZCS-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM C[C@@]1(c2ccccc2)CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575858008 949284463 /nfs/dbraw/zinc/28/44/63/949284463.db2.gz YDFCLZRKZRKWSB-IEBWSBKVSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@@]1(c2ccccc2)CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575858008 949284480 /nfs/dbraw/zinc/28/44/80/949284480.db2.gz YDFCLZRKZRKWSB-IEBWSBKVSA-N -1 3 319.412 3.789 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccnc(-c3ccccc3)c2)c1 ZINC001595245135 949512227 /nfs/dbraw/zinc/51/22/27/949512227.db2.gz UOQYZCZAQCSXEU-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM C[C@H]1CCCC[C@@H]1CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576170110 949706130 /nfs/dbraw/zinc/70/61/30/949706130.db2.gz KPMHCNKYBTXFDD-GXTWGEPZSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@H]1CCCC[C@@H]1CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576170110 949706147 /nfs/dbraw/zinc/70/61/47/949706147.db2.gz KPMHCNKYBTXFDD-GXTWGEPZSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@@H]1CCN(CCc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC001589355333 954129488 /nfs/dbraw/zinc/12/94/88/954129488.db2.gz PJWJZRSYXSBQAY-ZYHUDNBSSA-N -1 3 316.228 3.579 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000180742366 1013138408 /nfs/dbraw/zinc/13/84/08/1013138408.db2.gz WWFVNUXUQHQHCN-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1Cl ZINC000777975087 1032065770 /nfs/dbraw/zinc/06/57/70/1032065770.db2.gz WBPLMODEGZQVKX-UHFFFAOYSA-N -1 3 309.715 3.581 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)Cc2ccccc2O1 ZINC001589231820 956832100 /nfs/dbraw/zinc/83/21/00/956832100.db2.gz GYFNFVJFAZLHCT-UHFFFAOYSA-N -1 3 311.381 3.558 20 0 DHADHM C[C@@H]1c2cc(F)cc(F)c2CCN1CCC1(C(=O)[O-])CCC1 ZINC000903695900 956881156 /nfs/dbraw/zinc/88/11/56/956881156.db2.gz MAZBFICASPBMCX-LLVKDONJSA-N -1 3 309.356 3.529 20 0 DHADHM C[C@@](NCc1ccc(Cl)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041729874 957392325 /nfs/dbraw/zinc/39/23/25/957392325.db2.gz QXWKSBJNWHFTQB-INIZCTEOSA-N -1 3 307.752 3.569 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CCc2c(Cl)cccc2Cl)C1 ZINC001573700154 959823697 /nfs/dbraw/zinc/82/36/97/959823697.db2.gz YXJIZOHSLLBFKZ-MNOVXSKESA-N -1 3 316.228 3.579 20 0 DHADHM CCCN(Cc1ccccc1)Cc1ccccc1OCC(=O)[O-] ZINC001231791937 960622903 /nfs/dbraw/zinc/62/29/03/960622903.db2.gz FDFTUTFPVYTMLH-UHFFFAOYSA-N -1 3 313.397 3.562 20 0 DHADHM O=C(/C=C\c1nc2ccccc2s1)Nc1cc(F)ccc1[O-] ZINC000255048154 1013232467 /nfs/dbraw/zinc/23/24/67/1013232467.db2.gz ZSXLNWVPRIMAQB-FPLPWBNLSA-N -1 3 314.341 3.793 20 0 DHADHM CS[C@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743936 961225166 /nfs/dbraw/zinc/22/51/66/961225166.db2.gz JPQKKGMLPQLYGW-STQMWFEESA-N -1 3 313.850 3.754 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252599881 961278696 /nfs/dbraw/zinc/27/86/96/961278696.db2.gz LDMDITMTXFSIMH-KBVBSXBZSA-N -1 3 302.201 3.849 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263415016 962582439 /nfs/dbraw/zinc/58/24/39/962582439.db2.gz MWIMEPJCERWOHO-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H](CN(C)Cc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000263514424 962695827 /nfs/dbraw/zinc/69/58/27/962695827.db2.gz OGRQYIWHGOJSIC-QMMMGPOBSA-N -1 3 309.715 3.511 20 0 DHADHM O=C([O-])CCCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000276973293 962848141 /nfs/dbraw/zinc/84/81/41/962848141.db2.gz HGTDVBKJYMKPGA-UHFFFAOYSA-N -1 3 322.405 3.684 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000314479328 963758910 /nfs/dbraw/zinc/75/89/10/963758910.db2.gz KDBZHXRCWFJSJT-LLVKDONJSA-N -1 3 321.364 3.918 20 0 DHADHM C[C@@H](N[C@@H](C)CCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000315350131 963888136 /nfs/dbraw/zinc/88/81/36/963888136.db2.gz PISGFFZSCLFHBX-NWDGAFQWSA-N -1 3 304.415 3.513 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000426696822 1013496302 /nfs/dbraw/zinc/49/63/02/1013496302.db2.gz QPOOOMDTLVTKGQ-AGIUHOORSA-N -1 3 324.490 3.637 20 0 DHADHM COCc1c2ccccc2oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000340329141 1013498309 /nfs/dbraw/zinc/49/83/09/1013498309.db2.gz VCBPHNZTTOGFOG-UHFFFAOYSA-N -1 3 315.300 3.676 20 0 DHADHM CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000340328058 1013498562 /nfs/dbraw/zinc/49/85/62/1013498562.db2.gz MHJNYJDVPBNNMM-NSHDSACASA-N -1 3 308.765 3.783 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1Cl ZINC000426767806 1013503359 /nfs/dbraw/zinc/50/33/59/1013503359.db2.gz QVBBFAQHRXOLSY-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000416305754 1013648787 /nfs/dbraw/zinc/64/87/87/1013648787.db2.gz JCXMFNBPQDVCDN-HUUCEWRRSA-N -1 3 305.418 3.688 20 0 DHADHM COCCOc1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210223449 1013711848 /nfs/dbraw/zinc/71/18/48/1013711848.db2.gz WOESNZLOVLUZEW-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000650806504 968607987 /nfs/dbraw/zinc/60/79/87/968607987.db2.gz AWBJMFQLYJYQJD-NSHDSACASA-N -1 3 309.715 3.654 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1[O-] ZINC000331332213 1013872040 /nfs/dbraw/zinc/87/20/40/1013872040.db2.gz HXLVOGZUGCPSNW-GUYCJALGSA-N -1 3 323.392 3.613 20 0 DHADHM Cc1oc(-c2ccccc2)c(C(=O)Nc2ncccc2[O-])c1C ZINC000189064735 1013907532 /nfs/dbraw/zinc/90/75/32/1013907532.db2.gz XOVSQTSKFAPPFT-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cnn(-c2ccccn2)c1Nc1cccc([O-])c1Cl ZINC001210855813 1014073570 /nfs/dbraw/zinc/07/35/70/1014073570.db2.gz YTEMEWBOLUFNCE-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM COc1ncc(Nc2nc3c(cccc3[O-])s2)cc1Cl ZINC001211045969 1014115835 /nfs/dbraw/zinc/11/58/35/1014115835.db2.gz RDCFBIAKICEYNW-UHFFFAOYSA-N -1 3 307.762 3.803 20 0 DHADHM CC(C)Cc1nsc([N-][C@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656226839 1014153265 /nfs/dbraw/zinc/15/32/65/1014153265.db2.gz JKIYSPMTXYLATP-NXEZZACHSA-N -1 3 323.384 3.649 20 0 DHADHM C[C@@H](c1nc2ccccc2s1)N(C)CC1(CC(=O)[O-])CC1 ZINC000515306184 974297656 /nfs/dbraw/zinc/29/76/56/974297656.db2.gz YFHKMISNGYMHNL-NSHDSACASA-N -1 3 304.415 3.544 20 0 DHADHM CCc1cccnc1[C@H](C)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603976582 974475057 /nfs/dbraw/zinc/47/50/57/974475057.db2.gz PIBHKADFOLYTQD-AFAVFJNCSA-N -1 3 310.397 3.608 20 0 DHADHM O=C([O-])c1ccccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000563279323 974524569 /nfs/dbraw/zinc/52/45/69/974524569.db2.gz ZOHGDVMCYUYCMS-QGZVFWFLSA-N -1 3 313.422 3.675 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1cccc(Cl)c1 ZINC000565102456 974569526 /nfs/dbraw/zinc/56/95/26/974569526.db2.gz IMBKYHBKBUEFJE-LLVKDONJSA-N -1 3 323.776 3.703 20 0 DHADHM CCN(CCOc1ccccc1C)Cc1ccsc1C(=O)[O-] ZINC000565727081 974588128 /nfs/dbraw/zinc/58/81/28/974588128.db2.gz BZIPHZPYEGACAL-UHFFFAOYSA-N -1 3 319.426 3.656 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000568060450 974655697 /nfs/dbraw/zinc/65/56/97/974655697.db2.gz DDYPPMGXUFUEPU-GFCCVEGCSA-N -1 3 303.358 3.570 20 0 DHADHM C[C@H]1CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C(C)(C)C1 ZINC000568061809 974656923 /nfs/dbraw/zinc/65/69/23/974656923.db2.gz RXUBLNZIWUTZKD-GFCCVEGCSA-N -1 3 314.385 3.660 20 0 DHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)C[C@H](C)C(=O)[O-] ZINC000568062590 974658003 /nfs/dbraw/zinc/65/80/03/974658003.db2.gz IXSPFSGYUWCYIX-WDEREUQCSA-N -1 3 322.792 3.709 20 0 DHADHM Cc1nc(C(C)C)ccc1CN(CC(=O)[O-])Cc1ccccc1 ZINC000571530463 974731730 /nfs/dbraw/zinc/73/17/30/974731730.db2.gz RIORBNQPYJLEMI-UHFFFAOYSA-N -1 3 312.413 3.600 20 0 DHADHM CC(C)C[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000575810340 974802252 /nfs/dbraw/zinc/80/22/52/974802252.db2.gz MICRYZOKLJPPGF-CQSZACIVSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCCOc1ccc(F)cc1 ZINC000577642633 974840335 /nfs/dbraw/zinc/84/03/35/974840335.db2.gz PBLFMXCVAIJODP-GFCCVEGCSA-N -1 3 321.348 3.579 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccc(Cl)cc1 ZINC000578137792 974848357 /nfs/dbraw/zinc/84/83/57/974848357.db2.gz XETUUAYWOCDHGA-LLVKDONJSA-N -1 3 323.776 3.703 20 0 DHADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000580456961 974894432 /nfs/dbraw/zinc/89/44/32/974894432.db2.gz YUAUIUGAEDZUMU-AWEZNQCLSA-N -1 3 316.228 3.851 20 0 DHADHM CC(C)C[C@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000580456962 974894772 /nfs/dbraw/zinc/89/47/72/974894772.db2.gz YUAUIUGAEDZUMU-CQSZACIVSA-N -1 3 316.228 3.851 20 0 DHADHM CCCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000076273304 1014221788 /nfs/dbraw/zinc/22/17/88/1014221788.db2.gz OMKMFQGKCBKOIO-UHFFFAOYSA-N -1 3 313.397 3.854 20 0 DHADHM O=C([O-])c1csc(CN2CCC[C@H]2CC2CCCCC2)n1 ZINC000584118611 974950582 /nfs/dbraw/zinc/95/05/82/974950582.db2.gz DFIXXTDXPYXODA-ZDUSSCGKSA-N -1 3 308.447 3.776 20 0 DHADHM O=C([O-])[C@@H]1CN(CCSC2CCCCC2)Cc2ccccc21 ZINC000593743635 974986073 /nfs/dbraw/zinc/98/60/73/974986073.db2.gz GPKNIXGDYRHHNQ-QGZVFWFLSA-N -1 3 319.470 3.736 20 0 DHADHM CCc1ccc(C2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000629378824 975091943 /nfs/dbraw/zinc/09/19/43/975091943.db2.gz VVNYHKGHFYZIJC-UHFFFAOYSA-N -1 3 324.424 3.722 20 0 DHADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000629484040 975093626 /nfs/dbraw/zinc/09/36/26/975093626.db2.gz OICFIKIQTPIVIG-ZDUSSCGKSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366747 975516821 /nfs/dbraw/zinc/51/68/21/975516821.db2.gz NHIUTNBKXVYZFV-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000652398505 975520436 /nfs/dbraw/zinc/52/04/36/975520436.db2.gz HXBYCBOPYUCVJV-KRWDZBQOSA-N -1 3 311.381 3.938 20 0 DHADHM O=C([O-])c1ccc(CN2CCCC[C@H]2Cc2ccccc2F)o1 ZINC000652507766 975567894 /nfs/dbraw/zinc/56/78/94/975567894.db2.gz MTMXUDOYWPAFFT-AWEZNQCLSA-N -1 3 317.360 3.714 20 0 DHADHM COc1cccc(C2(NCc3ccc(C(=O)[O-])cc3)CCC2)c1 ZINC000665352407 975959028 /nfs/dbraw/zinc/95/90/28/975959028.db2.gz HMBPNUYLWOUHAD-UHFFFAOYSA-N -1 3 311.381 3.562 20 0 DHADHM COc1cccc(Cl)c1CNCCC(C)(C)CCC(=O)[O-] ZINC000417555350 1014312036 /nfs/dbraw/zinc/31/20/36/1014312036.db2.gz DURJPAMLVBGOJC-UHFFFAOYSA-N -1 3 313.825 3.719 20 0 DHADHM CC(C)c1ccc(OCCN[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591973262 976575143 /nfs/dbraw/zinc/57/51/43/976575143.db2.gz YERWQKLYUYHFJR-CYBMUJFWSA-N -1 3 317.385 3.831 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(C(F)F)cc1)c1ccsc1 ZINC000580882261 1014418922 /nfs/dbraw/zinc/41/89/22/1014418922.db2.gz HGQHPORYLKJANH-CYBMUJFWSA-N -1 3 311.353 3.991 20 0 DHADHM CCCCn1ncc(NC(=O)c2cccc(CC)c2[O-])c1C ZINC000127327190 1014430468 /nfs/dbraw/zinc/43/04/68/1014430468.db2.gz URIJNRLOGSNRBW-UHFFFAOYSA-N -1 3 301.390 3.512 20 0 DHADHM CC(C)(C)[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000756339430 978698400 /nfs/dbraw/zinc/69/84/00/978698400.db2.gz OFYZERLIXYSIGS-CYBMUJFWSA-N -1 3 322.405 3.538 20 0 DHADHM CC(=O)c1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000164607208 1014522642 /nfs/dbraw/zinc/52/26/42/1014522642.db2.gz NQYNDLRZBAXTBN-UHFFFAOYSA-N -1 3 312.152 3.881 20 0 DHADHM C[C@H](CNC(C)(C)c1cc(C(=O)[O-])on1)c1cccc(Cl)c1 ZINC001592704959 979165619 /nfs/dbraw/zinc/16/56/19/979165619.db2.gz BBFJXIHCCWYDDX-SNVBAGLBSA-N -1 3 322.792 3.655 20 0 DHADHM C[C@@H](CSc1ccccc1)N(C)Cc1ccoc1C(=O)[O-] ZINC001592832728 979565796 /nfs/dbraw/zinc/56/57/96/979565796.db2.gz VEFQBQRRMZJVOE-LBPRGKRZSA-N -1 3 305.399 3.590 20 0 DHADHM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211509596 1014607058 /nfs/dbraw/zinc/60/70/58/1014607058.db2.gz BMDYHNVVXOQWOL-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM CC(F)(F)CCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001592939393 980007170 /nfs/dbraw/zinc/00/71/70/980007170.db2.gz FMKZVNWCPZZIRG-UHFFFAOYSA-N -1 3 309.312 3.780 20 0 DHADHM Cc1ccc(CC[C@@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911698 980623640 /nfs/dbraw/zinc/62/36/40/980623640.db2.gz MGJUGXFBGLHACY-CHWSQXEVSA-N -1 3 318.442 3.822 20 0 DHADHM Cc1cccc(CC[C@@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000901912132 980623834 /nfs/dbraw/zinc/62/38/34/980623834.db2.gz OORMRWCIKUXCQY-OLZOCXBDSA-N -1 3 318.442 3.822 20 0 DHADHM Cc1cc(C)c(/C=C/CN2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000901982241 980660989 /nfs/dbraw/zinc/66/09/89/980660989.db2.gz OWHPDFVOEQBJRG-LAQIPUCWSA-N -1 3 319.470 3.517 20 0 DHADHM CCCOCc1ccccc1CNCc1csc(C(=O)[O-])c1 ZINC000902144806 980756333 /nfs/dbraw/zinc/75/63/33/980756333.db2.gz JCYBVKOTGYVJHG-UHFFFAOYSA-N -1 3 319.426 3.663 20 0 DHADHM CCSc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902221157 980788915 /nfs/dbraw/zinc/78/89/15/980788915.db2.gz NQBNMRAJONOZET-NSHDSACASA-N -1 3 305.399 3.941 20 0 DHADHM O=C([O-])/C=C\c1ccc(CN2CCC(c3ccsc3)CC2)o1 ZINC000902325565 980833840 /nfs/dbraw/zinc/83/38/40/980833840.db2.gz LOFZCNIETAALLZ-ARJAWSKDSA-N -1 3 317.410 3.819 20 0 DHADHM Cc1oc(CN2CC[C@@](C)(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000902351309 980846116 /nfs/dbraw/zinc/84/61/16/980846116.db2.gz YORZKUWQCRIACY-GOSISDBHSA-N -1 3 317.360 3.589 20 0 DHADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccc2c(c1)CCCO2 ZINC000902483406 980906998 /nfs/dbraw/zinc/90/69/98/980906998.db2.gz FVDSASQFWXNLPU-LLVKDONJSA-N -1 3 317.410 3.622 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc2c(c1)CCCO2 ZINC000903693233 981015520 /nfs/dbraw/zinc/01/55/20/981015520.db2.gz VIGMWUIMCPLWES-LLVKDONJSA-N -1 3 317.410 3.622 20 0 DHADHM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903912150 981034866 /nfs/dbraw/zinc/03/48/66/981034866.db2.gz ZWHGOUZQPOSHBO-LLVKDONJSA-N -1 3 320.339 3.553 20 0 DHADHM CCC[C@H](CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)OC ZINC001595593273 981556738 /nfs/dbraw/zinc/55/67/38/981556738.db2.gz YTJQENUTJQXJQF-OAHLLOKOSA-N -1 3 317.385 3.550 20 0 DHADHM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC001594876390 982214053 /nfs/dbraw/zinc/21/40/53/982214053.db2.gz LLIKSTPUXWGBSR-RNCFNFMXSA-N -1 3 304.217 3.925 20 0 DHADHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451742176 1014879173 /nfs/dbraw/zinc/87/91/73/1014879173.db2.gz AXAFIJFRTYGYEK-GUYCJALGSA-N -1 3 313.372 3.684 20 0 DHADHM CCCN(Cc1csc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC001595887720 982915022 /nfs/dbraw/zinc/91/50/22/982915022.db2.gz CKSZNRVBAYKMLZ-UHFFFAOYSA-N -1 3 307.390 3.998 20 0 DHADHM CCN(CCSC)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001596347850 983800447 /nfs/dbraw/zinc/80/04/47/983800447.db2.gz RFDDJQGWERTZBK-UHFFFAOYSA-N -1 3 319.426 3.830 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC001596354439 983819553 /nfs/dbraw/zinc/81/95/53/983819553.db2.gz QYBMRJDJMRAJPK-GFCCVEGCSA-N -1 3 304.365 3.744 20 0 DHADHM C[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1F ZINC000754722948 1015106175 /nfs/dbraw/zinc/10/61/75/1015106175.db2.gz GTRXTHLTZWMAKN-LBPRGKRZSA-N -1 3 305.324 3.706 20 0 DHADHM Cc1[nH]c(CNCc2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001599962872 985825205 /nfs/dbraw/zinc/82/52/05/985825205.db2.gz FZOVCRNAXDNYNH-UHFFFAOYSA-N -1 3 306.431 3.670 20 0 DHADHM CCCCOc1ccc(C(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000474208775 1015188087 /nfs/dbraw/zinc/18/80/87/1015188087.db2.gz HUMWSEMJCHIWGQ-UHFFFAOYSA-N -1 3 320.776 3.872 20 0 DHADHM Cc1c(C(=O)[O-])cc(CN2CCCC3(CCCC3)CC2)n1C ZINC001599985590 986222764 /nfs/dbraw/zinc/22/27/64/986222764.db2.gz PPLCXYWBTPLCRR-UHFFFAOYSA-N -1 3 304.434 3.578 20 0 DHADHM CCS[C@H]1CCCCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1 ZINC001597257783 987263914 /nfs/dbraw/zinc/26/39/14/987263914.db2.gz AHJRXRIQXINLBN-AWEZNQCLSA-N -1 3 324.490 3.944 20 0 DHADHM CCSc1cccc(CN[C@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001597277388 987335017 /nfs/dbraw/zinc/33/50/17/987335017.db2.gz ORGCMLDFNRAJGC-GFCCVEGCSA-N -1 3 316.426 3.743 20 0 DHADHM CC(C)(C)[C@H](NCc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC001589720565 987884065 /nfs/dbraw/zinc/88/40/65/987884065.db2.gz PQDGCRWCHFYHOH-CYBMUJFWSA-N -1 3 322.405 3.538 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597636998 988621509 /nfs/dbraw/zinc/62/15/09/988621509.db2.gz TXGNBPDYJGHWOM-BZNIZROVSA-N -1 3 318.804 3.774 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001597637110 988621584 /nfs/dbraw/zinc/62/15/84/988621584.db2.gz WJAIIOOWIUPALF-WDEREUQCSA-N -1 3 304.415 3.816 20 0 DHADHM Cc1ccc([C@H]2CSCCN2C(=O)c2ccccc2[O-])cc1 ZINC000116135563 1015484409 /nfs/dbraw/zinc/48/44/09/1015484409.db2.gz AYRGQVOAYCDTFI-MRXNPFEDSA-N -1 3 313.422 3.631 20 0 DHADHM CC(C)(C)Oc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC001590410109 989951152 /nfs/dbraw/zinc/95/11/52/989951152.db2.gz YDZMIUOJYHTNIS-UHFFFAOYSA-N -1 3 313.397 3.852 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1 ZINC000014255522 1015594551 /nfs/dbraw/zinc/59/45/51/1015594551.db2.gz SBSCYHGAYKVWRA-UHFFFAOYSA-N -1 3 303.427 3.921 20 0 DHADHM COc1ccccc1[C@@H](C)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001599698583 991184887 /nfs/dbraw/zinc/18/48/87/991184887.db2.gz OGPMWDULFBJFJL-PBHICJAKSA-N -1 3 313.397 3.952 20 0 DHADHM CC(C)[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001591031316 991339974 /nfs/dbraw/zinc/33/99/74/991339974.db2.gz ZFTRSZQEEROXKG-INIZCTEOSA-N -1 3 318.804 3.920 20 0 DHADHM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599718723 991500486 /nfs/dbraw/zinc/50/04/86/991500486.db2.gz UWKRPEHHTMDWQQ-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM COc1c(F)c(F)ccc1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001211887496 1015706235 /nfs/dbraw/zinc/70/62/35/1015706235.db2.gz HTMIDOOFRRBMAA-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cccnc1 ZINC001593195080 994143886 /nfs/dbraw/zinc/14/38/86/994143886.db2.gz PNEXKEQIYSJKFZ-IINYFYTJSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593199428 994178762 /nfs/dbraw/zinc/17/87/62/994178762.db2.gz XPPCYTQTJKVDLZ-QWHCGFSZSA-N -1 3 317.360 3.701 20 0 DHADHM C[C@H](NCC1(Sc2ccccc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593252128 994503102 /nfs/dbraw/zinc/50/31/02/994503102.db2.gz OMXNMDAYYNBZTR-LBPRGKRZSA-N -1 3 317.410 3.953 20 0 DHADHM C[C@@H](NC/C=C\c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593257784 994535982 /nfs/dbraw/zinc/53/59/82/994535982.db2.gz TVIVKVUFDHIAMT-YYRKOSNBSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@@H](NC[C@@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593258224 994539417 /nfs/dbraw/zinc/53/94/17/994539417.db2.gz XUVXXONFLQLEGK-YPMHNXCESA-N -1 3 316.426 3.612 20 0 DHADHM COc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599657299 994601781 /nfs/dbraw/zinc/60/17/81/994601781.db2.gz MLLWFJMNYORCAW-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM COc1cccc(C2(N[C@@H](C)c3cc(C(=O)[O-])cs3)CC2)c1 ZINC001599667233 994750391 /nfs/dbraw/zinc/75/03/91/994750391.db2.gz WVTIZILMNPFJNF-NSHDSACASA-N -1 3 317.410 3.795 20 0 DHADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2ncncc2Cl)c1F ZINC000342056005 1015900816 /nfs/dbraw/zinc/90/08/16/1015900816.db2.gz ZZMJKOXCWAKYNB-UHFFFAOYSA-N -1 3 318.110 3.622 20 0 DHADHM Cc1noc(C)c1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000342067167 1015904191 /nfs/dbraw/zinc/90/41/91/1015904191.db2.gz OXLLXAIGSFUXOI-UHFFFAOYSA-N -1 3 300.692 3.784 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(F)cc(Cl)c1 ZINC000535891322 1015992563 /nfs/dbraw/zinc/99/25/63/1015992563.db2.gz FDRSEAMVCSCVRA-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM COc1ccccc1[C@@H](NCc1nc(C)ccc1[O-])c1ccco1 ZINC000151133727 1016020575 /nfs/dbraw/zinc/02/05/75/1016020575.db2.gz JWQFVPPZCXWAFC-LJQANCHMSA-N -1 3 324.380 3.576 20 0 DHADHM CC1(C)C[C@@H](c2ccccc2)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001593863785 996664359 /nfs/dbraw/zinc/66/43/59/996664359.db2.gz MZIYGFILHSDCQH-KRWDZBQOSA-N -1 3 310.397 3.753 20 0 DHADHM CC1(C)CCN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC001593923828 996843233 /nfs/dbraw/zinc/84/32/33/996843233.db2.gz VCFPROQVEUJCDK-UHFFFAOYSA-N -1 3 313.850 3.756 20 0 DHADHM CC1(C)SC[C@@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001593987651 997233112 /nfs/dbraw/zinc/23/31/12/997233112.db2.gz FZXVJFYYOGJYHR-HNNXBMFYSA-N -1 3 317.410 3.628 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1conc1C1CCCC1 ZINC000866864005 1016138800 /nfs/dbraw/zinc/13/88/00/1016138800.db2.gz FOMQLIDNIYAHGG-UHFFFAOYSA-N -1 3 306.749 3.944 20 0 DHADHM Cc1cc(CN2CCC(C)=C(c3ccco3)C2)oc1C(=O)[O-] ZINC001594110722 998214336 /nfs/dbraw/zinc/21/43/36/998214336.db2.gz ZTORJORHGRFVBV-UHFFFAOYSA-N -1 3 301.342 3.559 20 0 DHADHM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCCC2 ZINC000277320331 1016195570 /nfs/dbraw/zinc/19/55/70/1016195570.db2.gz CAWBDZSBLFRFJV-CABCVRRESA-N -1 3 323.820 3.513 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC001594216145 998830526 /nfs/dbraw/zinc/83/05/26/998830526.db2.gz UOFODFXTMSCBGZ-SCZZXKLOSA-N -1 3 307.337 3.609 20 0 DHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599063920 999285884 /nfs/dbraw/zinc/28/58/84/999285884.db2.gz OLTJGINKUPEFMI-UVWXRNBGSA-N -1 3 321.348 3.544 20 0 DHADHM C[C@H]1CCC[C@H](C2CN(Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC001594344975 999304968 /nfs/dbraw/zinc/30/49/68/999304968.db2.gz LASHEOBXZRYCMF-JSGCOSHPSA-N -1 3 305.393 3.782 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])[C@H]2CCCC[C@H]12 ZINC001594426710 999595629 /nfs/dbraw/zinc/59/56/29/999595629.db2.gz NDHUAFAHLXATGZ-OIISXLGYSA-N -1 3 317.429 3.551 20 0 DHADHM CCc1ncsc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622456029 1016413510 /nfs/dbraw/zinc/41/35/10/1016413510.db2.gz MNKVLUTWMSIEQH-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccccc1NC1CCCCC1 ZINC000622504917 1016437027 /nfs/dbraw/zinc/43/70/27/1016437027.db2.gz FVWNUANWVGAGHH-UHFFFAOYSA-N -1 3 311.385 3.784 20 0 DHADHM O=C(NC1CCC2(CC2)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622557266 1016466151 /nfs/dbraw/zinc/46/61/51/1016466151.db2.gz ABUMBLJTNDQVRJ-UHFFFAOYSA-N -1 3 313.319 3.864 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC001211541037 1016482410 /nfs/dbraw/zinc/48/24/10/1016482410.db2.gz LLQWKRWPDRBFCN-KGLIPLIRSA-N -1 3 313.463 3.861 20 0 DHADHM O=C1c2cccc([O-])c2C/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185027832 1016500845 /nfs/dbraw/zinc/50/08/45/1016500845.db2.gz KEAACHMBMDBZOW-UXBLZVDNSA-N -1 3 315.712 3.776 20 0 DHADHM Cc1ccccc1[C@@H](NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000346804660 1016554103 /nfs/dbraw/zinc/55/41/03/1016554103.db2.gz HLEOPZCWXWUMRB-IBGZPJMESA-N -1 3 319.408 3.678 20 0 DHADHM C[C@@H](NCc1ccoc1)c1cc(Br)cc(F)c1[O-] ZINC000185106735 1016574866 /nfs/dbraw/zinc/57/48/66/1016574866.db2.gz AQBHODPQHIYRQE-MRVPVSSYSA-N -1 3 314.154 3.738 20 0 DHADHM CCc1c(C)sc2[nH]c(-c3ccc([O-])cc3C)nc(=O)c12 ZINC000277542810 1016574266 /nfs/dbraw/zinc/57/42/66/1016574266.db2.gz PWJXBNFPPHKLLM-UHFFFAOYSA-N -1 3 300.383 3.949 20 0 DHADHM CSc1cccnc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000652878263 1016685313 /nfs/dbraw/zinc/68/53/13/1016685313.db2.gz XVQUDKQFJCHLIS-UHFFFAOYSA-N -1 3 320.389 3.610 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1OCC1CC1 ZINC000174873199 1016841121 /nfs/dbraw/zinc/84/11/21/1016841121.db2.gz WCOAVFGCYXUVLI-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](C)C(C)C ZINC000623027546 1016848178 /nfs/dbraw/zinc/84/81/78/1016848178.db2.gz OFEDJTOMOOTSAO-JTQLQIEISA-N -1 3 303.324 3.918 20 0 DHADHM CSC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000347311467 1016864585 /nfs/dbraw/zinc/86/45/85/1016864585.db2.gz DPNCACMTOYVMQA-CYBMUJFWSA-N -1 3 315.438 3.761 20 0 DHADHM CC(C)(C)CC(=O)[N-]OCc1csc(-c2cccs2)n1 ZINC000842063632 1032167220 /nfs/dbraw/zinc/16/72/20/1032167220.db2.gz OGFSPZQAPZTQAB-UHFFFAOYSA-N -1 3 310.444 3.856 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456258499 1017238141 /nfs/dbraw/zinc/23/81/41/1017238141.db2.gz QZONTRCDLQWXMZ-MJGOQNOKSA-N -1 3 307.393 3.806 20 0 DHADHM Cc1c([N-]c2nc3cc(C)ccc3o2)cnn1C1CCOCC1 ZINC000294900856 1032198955 /nfs/dbraw/zinc/19/89/55/1032198955.db2.gz IDRQEPFMGQCQCS-UHFFFAOYSA-N -1 3 312.373 3.736 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC001146185661 1032206843 /nfs/dbraw/zinc/20/68/43/1032206843.db2.gz AHTJRLPQTADASW-UHFFFAOYSA-N -1 3 310.397 3.589 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccnn2-c2ccccc2C)c1 ZINC001146525142 1032226668 /nfs/dbraw/zinc/22/66/68/1032226668.db2.gz CMKPUJIHSLPVCF-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1nc(C)c(C)nc1C ZINC000362181211 1032262631 /nfs/dbraw/zinc/26/26/31/1032262631.db2.gz KQICIMSFCSIAFX-UHFFFAOYSA-N -1 3 319.405 3.905 20 0 DHADHM CCc1cccc(C(=O)N[C@](C)(CC)c2nc(C)cs2)c1[O-] ZINC001147142336 1032285453 /nfs/dbraw/zinc/28/54/53/1032285453.db2.gz VEBPYLOCZRZJGC-QGZVFWFLSA-N -1 3 318.442 3.775 20 0 DHADHM O=C([N-]c1c(F)cc(Br)cc1F)c1ccco1 ZINC000088172674 1032291225 /nfs/dbraw/zinc/29/12/25/1032291225.db2.gz UWFRWASHJPOBKM-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(OC(F)F)cc2C)c1[O-] ZINC001148201716 1032375882 /nfs/dbraw/zinc/37/58/82/1032375882.db2.gz FNNYCVLKOUSUIS-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(F)c3ccccc23)c1[O-] ZINC001148202491 1032376943 /nfs/dbraw/zinc/37/69/43/1032376943.db2.gz NRNNMTJGAOUWBA-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM O=C(c1ccccc1[O-])N(Cc1ccco1)Cc1ccccc1 ZINC000120897906 1032408435 /nfs/dbraw/zinc/40/84/35/1032408435.db2.gz BTYVSFXCQJEVIB-UHFFFAOYSA-N -1 3 307.349 3.828 20 0 DHADHM Cc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c([O-])c1 ZINC001148498645 1032408914 /nfs/dbraw/zinc/40/89/14/1032408914.db2.gz JOFDMJCUDLJVMV-UHFFFAOYSA-N -1 3 319.404 3.901 20 0 DHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(C)c1[O-] ZINC000121466053 1032448046 /nfs/dbraw/zinc/44/80/46/1032448046.db2.gz KYSCZCGSEGKFKF-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM COc1cccc(-c2nc(-c3cccc4cnccc43)no2)c1[O-] ZINC000350563449 1017297375 /nfs/dbraw/zinc/29/73/75/1017297375.db2.gz BRUAPHIQVVHLEA-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424421627 1012018482 /nfs/dbraw/zinc/01/84/82/1012018482.db2.gz RWZQJRNFBITMSY-ZANVPECISA-N -1 3 319.298 3.530 20 0 DHADHM CCC[C@@H](CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000874190300 1032605694 /nfs/dbraw/zinc/60/56/94/1032605694.db2.gz HZSLMGZFSCOKQM-CYBMUJFWSA-N -1 3 313.401 3.510 20 0 DHADHM C[C@@H](CCCNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000683172025 1012237668 /nfs/dbraw/zinc/23/76/68/1012237668.db2.gz UEQGIAGOVFGCRY-VIFPVBQESA-N -1 3 321.751 3.532 20 0 DHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2)cc1 ZINC000683171469 1012239372 /nfs/dbraw/zinc/23/93/72/1012239372.db2.gz MCEGWEHKNRUUOG-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@H](CCCC(=O)[O-])NCc1c(Cl)cccc1OC(F)F ZINC000683171620 1012242629 /nfs/dbraw/zinc/24/26/29/1012242629.db2.gz NJFXHXOTFNPQDV-SECBINFHSA-N -1 3 321.751 3.674 20 0 DHADHM CCC[C@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700871171 1012340988 /nfs/dbraw/zinc/34/09/88/1012340988.db2.gz FCLJQIIYGZRDQA-LBPRGKRZSA-N -1 3 312.207 3.559 20 0 DHADHM COC(=O)c1cnc(SCc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000514831422 1012461651 /nfs/dbraw/zinc/46/16/51/1012461651.db2.gz NCWPWLSPSYZDQL-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1[O-] ZINC000515226145 1012587256 /nfs/dbraw/zinc/58/72/56/1012587256.db2.gz IFJMCSREWSAYKP-OLZOCXBDSA-N -1 3 315.394 3.707 20 0 DHADHM COCc1cccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000515438255 1012629864 /nfs/dbraw/zinc/62/98/64/1012629864.db2.gz BZJJFBOHDHESMO-UHFFFAOYSA-N -1 3 300.745 3.802 20 0 DHADHM CCc1ccc(O)c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000254992559 1012683214 /nfs/dbraw/zinc/68/32/14/1012683214.db2.gz QKXIEGALZMNHDL-KTKRTIGZSA-N -1 3 321.373 3.506 20 0 DHADHM O=C(OCc1nc2ccccc2o1)c1cc(Cl)c(Cl)[n-]1 ZINC000011810255 1012695499 /nfs/dbraw/zinc/69/54/99/1012695499.db2.gz XOOIMZXBTUUUGF-UHFFFAOYSA-N -1 3 311.124 3.820 20 0 DHADHM CC(C)(C)[C@H](NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000516814407 1012835370 /nfs/dbraw/zinc/83/53/70/1012835370.db2.gz ASBCLZOLNZKXJI-MRXNPFEDSA-N -1 3 306.356 3.942 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000232750714 1012948616 /nfs/dbraw/zinc/94/86/16/1012948616.db2.gz DMZKLLGVWSCUTC-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc([O-])ccc1Cl ZINC000339892869 1013019023 /nfs/dbraw/zinc/01/90/23/1013019023.db2.gz AYRRZOVONSPXQQ-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000342748407 1017164998 /nfs/dbraw/zinc/16/49/98/1017164998.db2.gz ZRNVJYOQHBBJEB-LBPRGKRZSA-N -1 3 319.763 3.814 20 0 DHADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)n(-c2ccccc2)n1 ZINC001213370697 1017208383 /nfs/dbraw/zinc/20/83/83/1017208383.db2.gz MFCIVMGNBCWNLR-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCSC[C@H]1C1CC1 ZINC000456206366 1017222180 /nfs/dbraw/zinc/22/21/80/1017222180.db2.gz QUFHUUBSIHLNEQ-INIZCTEOSA-N -1 3 313.422 3.513 20 0 DHADHM COc1cccc(-c2nc(-c3cncc4ccccc43)no2)c1[O-] ZINC000350568507 1017300875 /nfs/dbraw/zinc/30/08/75/1017300875.db2.gz QANLVYLEUDKKHA-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM [O-]c1c(F)cc(Nc2ncccc2Br)cc1F ZINC001213371075 1017325478 /nfs/dbraw/zinc/32/54/78/1017325478.db2.gz VSFUJPRXBVKGHV-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1csc(C(=O)[N-]c2nc(C(C)C)ns2)c1Cl ZINC000874694061 1032708307 /nfs/dbraw/zinc/70/83/07/1032708307.db2.gz BVOGOJHSXXQJSR-UHFFFAOYSA-N -1 3 301.824 3.937 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc(C2CC2)nc2ccc(F)cc21 ZINC000180995760 1017716610 /nfs/dbraw/zinc/71/66/10/1017716610.db2.gz HCLLNGYUQVHUMR-UHFFFAOYSA-N -1 3 323.327 3.604 20 0 DHADHM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000181446784 1017751416 /nfs/dbraw/zinc/75/14/16/1017751416.db2.gz NSHHOJXQNFLITJ-AWEZNQCLSA-N -1 3 315.388 3.807 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000625711724 1017788931 /nfs/dbraw/zinc/78/89/31/1017788931.db2.gz CQESIQNPWQOIKE-MRXNPFEDSA-N -1 3 313.422 3.631 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000625726499 1017794893 /nfs/dbraw/zinc/79/48/93/1017794893.db2.gz LIDCFCMVRPMPRB-OAHLLOKOSA-N -1 3 313.372 3.545 20 0 DHADHM CCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1CC ZINC000182288416 1017889685 /nfs/dbraw/zinc/88/96/85/1017889685.db2.gz OVVNLSITPUFYGM-UHFFFAOYSA-N -1 3 320.392 3.905 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000674259143 1017905504 /nfs/dbraw/zinc/90/55/04/1017905504.db2.gz KIPHKUBFQIFFHB-UHFFFAOYSA-N -1 3 322.821 3.623 20 0 DHADHM CSc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1Cl ZINC000182793144 1017955116 /nfs/dbraw/zinc/95/51/16/1017955116.db2.gz NJNOXDBWWKJJJE-UHFFFAOYSA-N -1 3 318.789 3.586 20 0 DHADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000172416972 1018047072 /nfs/dbraw/zinc/04/70/72/1018047072.db2.gz OPRGXCKZYHYBOX-HNNXBMFYSA-N -1 3 313.372 3.658 20 0 DHADHM CC(C)(C)c1ccc(CS(=O)(=O)c2cccc([O-])c2)cc1 ZINC000183998694 1018054000 /nfs/dbraw/zinc/05/40/00/1018054000.db2.gz UDVFOCUGNAZULT-UHFFFAOYSA-N -1 3 304.411 3.664 20 0 DHADHM CC(C)[C@H](O)[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657748569 1018291823 /nfs/dbraw/zinc/29/18/23/1018291823.db2.gz UYNJTGYUZOJGLB-ROUUACIJSA-N -1 3 319.832 3.893 20 0 DHADHM [O-]c1cccnc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000565683687 1032766376 /nfs/dbraw/zinc/76/63/76/1032766376.db2.gz MVNTYTZPVQUORO-IBGZPJMESA-N -1 3 308.356 3.806 20 0 DHADHM CC(C)[C@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001127826827 1018477633 /nfs/dbraw/zinc/47/76/33/1018477633.db2.gz UNUPIXICGCDCIG-YPMHNXCESA-N -1 3 317.326 3.963 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000000006971 1018481667 /nfs/dbraw/zinc/48/16/67/1018481667.db2.gz OKXKNWNGCBIZET-CQSZACIVSA-N -1 3 309.287 3.621 20 0 DHADHM COc1ccc(Cl)c(CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000565043817 1018516810 /nfs/dbraw/zinc/51/68/10/1018516810.db2.gz LBHAZIUCCWJFCU-ZDUSSCGKSA-N -1 3 311.809 3.568 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccccc1Cl ZINC000561770540 1018560754 /nfs/dbraw/zinc/56/07/54/1018560754.db2.gz OAXAQLMOWVNVHY-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM COCCCOc1ccccc1NCc1ccc([O-])c(F)c1 ZINC000892346968 1018602575 /nfs/dbraw/zinc/60/25/75/1018602575.db2.gz PCCQBKIPJYNXAU-UHFFFAOYSA-N -1 3 305.349 3.559 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)n1 ZINC000676055546 1018650633 /nfs/dbraw/zinc/65/06/33/1018650633.db2.gz FKPSIJCQDNQHHP-LLVKDONJSA-N -1 3 312.398 3.734 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000448752179 1018678006 /nfs/dbraw/zinc/67/80/06/1018678006.db2.gz QXWSUVWFTJVSPK-INIZCTEOSA-N -1 3 317.335 3.577 20 0 DHADHM O=C(CCc1cncc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000765336940 1018762595 /nfs/dbraw/zinc/76/25/95/1018762595.db2.gz INXDNDRVLKJXSV-UHFFFAOYSA-N -1 3 324.355 3.555 20 0 DHADHM O=C([O-])CN(Cc1ccc(-c2ccc(F)cc2)s1)C1CCC1 ZINC000656100468 1018786897 /nfs/dbraw/zinc/78/68/97/1018786897.db2.gz NPOMMPCNAUKAHO-UHFFFAOYSA-N -1 3 319.401 3.993 20 0 DHADHM O=c1ccn(-c2ccc(Nc3ccc(-c4ncc[nH]4)cc3)cc2)[n-]1 ZINC001213091987 1018796735 /nfs/dbraw/zinc/79/67/35/1018796735.db2.gz VRHMZIMLVLBLOA-UHFFFAOYSA-N -1 3 317.352 3.712 20 0 DHADHM CC(C)Oc1ncccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471745842 1018927839 /nfs/dbraw/zinc/92/78/39/1018927839.db2.gz QWHAYJQTUMROAH-UHFFFAOYSA-N -1 3 322.364 3.980 20 0 DHADHM CCCCCOc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000022263357 1018967502 /nfs/dbraw/zinc/96/75/02/1018967502.db2.gz JQBCPIJVONHBJS-UHFFFAOYSA-N -1 3 300.358 3.609 20 0 DHADHM Cc1cnc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000354849498 1018974239 /nfs/dbraw/zinc/97/42/39/1018974239.db2.gz LFTSXVDZTMSBDR-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM O=C([N-][C@@H]1CCCc2occc21)C(F)(F)c1ccccc1F ZINC000765604216 1018990098 /nfs/dbraw/zinc/99/00/98/1018990098.db2.gz OIHYQKLFFSUDNY-CYBMUJFWSA-N -1 3 309.287 3.704 20 0 DHADHM Cc1nc(CN2CCCC[C@@H]2CCC(=O)[O-])sc1C(C)(C)C ZINC000923251312 1019087666 /nfs/dbraw/zinc/08/76/66/1019087666.db2.gz YLKKHJVONQELDH-CYBMUJFWSA-N -1 3 324.490 3.968 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccn1)c1cc([O-])ccc1Cl ZINC000355725878 1019144027 /nfs/dbraw/zinc/14/40/27/1019144027.db2.gz YNQJDIMNZRYQQG-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=c1[n-]c(S[C@H]2C=CCCC2)nc2c1cnn2-c1ccccc1 ZINC000076609135 1019144058 /nfs/dbraw/zinc/14/40/58/1019144058.db2.gz BNDNYYHWUUNNTC-ZDUSSCGKSA-N -1 3 324.409 3.722 20 0 DHADHM Cc1ccncc1CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000356091753 1019166196 /nfs/dbraw/zinc/16/61/96/1019166196.db2.gz HIGZZTYDOQVYCM-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000031722676 1019228266 /nfs/dbraw/zinc/22/82/66/1019228266.db2.gz AXTLIZDEUXTREK-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CCCCn1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471970775 1019318415 /nfs/dbraw/zinc/31/84/15/1019318415.db2.gz PRBYXXCRRKBIHE-UHFFFAOYSA-N -1 3 309.369 3.794 20 0 DHADHM Cc1ccc(C(=O)NCc2cc3c(s2)CCCC3)c([O-])c1 ZINC001626054278 1019320773 /nfs/dbraw/zinc/32/07/73/1019320773.db2.gz QYGRFNIVXPGGND-UHFFFAOYSA-N -1 3 301.411 3.571 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1cc(F)cc(F)c1[O-] ZINC001212479500 1019412307 /nfs/dbraw/zinc/41/23/07/1019412307.db2.gz BLWHIYSUGKGBPA-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1ccccc1F ZINC001212481839 1019427720 /nfs/dbraw/zinc/42/77/20/1019427720.db2.gz LSOGVDPVHPUNNJ-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cn(C)nc2-c2ccccc2)c1 ZINC000091144687 1019440561 /nfs/dbraw/zinc/44/05/61/1019440561.db2.gz KATHGSPIGZSRNU-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1cc(OC(F)(F)F)ccc1O ZINC001214375511 1019458545 /nfs/dbraw/zinc/45/85/45/1019458545.db2.gz JPDLBLMRCNSBEC-UHFFFAOYSA-N -1 3 320.654 3.788 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c([O-])c1 ZINC001299298134 1019544958 /nfs/dbraw/zinc/54/49/58/1019544958.db2.gz LMMPUCBADFYWLJ-KRWDZBQOSA-N -1 3 301.430 3.995 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000096659146 1019618876 /nfs/dbraw/zinc/61/88/76/1019618876.db2.gz NDLBVGYYUBPMCR-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc([O-])c2ccccc2c1 ZINC000525937646 1019729515 /nfs/dbraw/zinc/72/95/15/1019729515.db2.gz PMTUDTVYACPFIC-UHFFFAOYSA-N -1 3 321.311 3.813 20 0 DHADHM CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000061240194 1019740873 /nfs/dbraw/zinc/74/08/73/1019740873.db2.gz VFSKQFFDNLHLDM-IBGZPJMESA-N -1 3 320.392 3.655 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c([O-])c1 ZINC000171497811 1019758892 /nfs/dbraw/zinc/75/88/92/1019758892.db2.gz UTGQLQMJAJDNAY-MRXNPFEDSA-N -1 3 324.405 3.677 20 0 DHADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281594025 1019779065 /nfs/dbraw/zinc/77/90/65/1019779065.db2.gz NXPYQKWUFWSBID-LLVKDONJSA-N -1 3 324.380 3.684 20 0 DHADHM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)C(C)C ZINC001252508580 1032853574 /nfs/dbraw/zinc/85/35/74/1032853574.db2.gz RUWMHFNEAJFOFN-UHFFFAOYSA-N -1 3 305.399 3.937 20 0 DHADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000067899608 1019813346 /nfs/dbraw/zinc/81/33/46/1019813346.db2.gz RBXKZHPCAATZLW-UHFFFAOYSA-N -1 3 321.467 3.701 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1F ZINC000780397531 1019860050 /nfs/dbraw/zinc/86/00/50/1019860050.db2.gz MOWNFYYAEOUTMI-UHFFFAOYSA-N -1 3 315.316 3.873 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CC1CC1)C1CCCCC1 ZINC000068159204 1020014508 /nfs/dbraw/zinc/01/45/08/1020014508.db2.gz UQRWMRURPSTZQW-UHFFFAOYSA-N -1 3 324.424 3.713 20 0 DHADHM CCn1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])c2ccccc21 ZINC000673527276 1020020427 /nfs/dbraw/zinc/02/04/27/1020020427.db2.gz CCSDSRDINRUIJG-UHFFFAOYSA-N -1 3 322.364 3.822 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2csc(-c3ccncc3)n2)on1 ZINC000338863970 1020143525 /nfs/dbraw/zinc/14/35/25/1020143525.db2.gz AJUXBSZMMBTNQS-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM CCC[C@H](C(=O)Nc1n[n-]c(SC)n1)c1cccc(Cl)c1 ZINC000624925683 1020146948 /nfs/dbraw/zinc/14/69/48/1020146948.db2.gz URKYPYYCMAPACU-NSHDSACASA-N -1 3 324.837 3.702 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1 ZINC000731783618 1020154907 /nfs/dbraw/zinc/15/49/07/1020154907.db2.gz SLYQKIOMEYBSMM-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000624940076 1020181290 /nfs/dbraw/zinc/18/12/90/1020181290.db2.gz JCJXCMCGUQJUGF-UHFFFAOYSA-N -1 3 317.429 3.655 20 0 DHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000264230313 1032882673 /nfs/dbraw/zinc/88/26/73/1032882673.db2.gz XVIJPCYTJKQDOB-CHWSQXEVSA-N -1 3 312.413 3.980 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000352486101 1020271357 /nfs/dbraw/zinc/27/13/57/1020271357.db2.gz MMYSVRYCYPSUAK-QGZVFWFLSA-N -1 3 306.365 3.851 20 0 DHADHM CSC[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281676848 1020345661 /nfs/dbraw/zinc/34/56/61/1020345661.db2.gz UICIKNJWKRJJBS-AWEZNQCLSA-N -1 3 301.411 3.513 20 0 DHADHM CC(=O)n1ncc2ccc(Nc3nc4c(cccc4[O-])s3)cc21 ZINC001212410947 1020370867 /nfs/dbraw/zinc/37/08/67/1020370867.db2.gz UEFPQMIVEPFDLO-UHFFFAOYSA-N -1 3 324.365 3.755 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(C2CC2)nn1 ZINC000625278245 1020453956 /nfs/dbraw/zinc/45/39/56/1020453956.db2.gz URSISUHRXHINGO-UHFFFAOYSA-N -1 3 322.821 3.631 20 0 DHADHM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000282580740 1020466532 /nfs/dbraw/zinc/46/65/32/1020466532.db2.gz CTGZGRAQRAJZBO-UHFFFAOYSA-N -1 3 322.792 3.902 20 0 DHADHM CCC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132801842 1020574626 /nfs/dbraw/zinc/57/46/26/1020574626.db2.gz CUOBFHYKNBBMKU-OAHLLOKOSA-N -1 3 301.361 3.731 20 0 DHADHM Cc1cc(-c2ccc([O-])c(F)c2)cnc1OCC(F)(F)F ZINC001240789006 1020760624 /nfs/dbraw/zinc/76/06/24/1020760624.db2.gz PIRMDRAONUZZJZ-UHFFFAOYSA-N -1 3 301.239 3.843 20 0 DHADHM Cc1oc([N-]C(=O)c2c(F)c(F)cc(F)c2F)nc1C1CC1 ZINC000892519568 1020797274 /nfs/dbraw/zinc/79/72/74/1020797274.db2.gz RWLRMZYCTCYHFR-UHFFFAOYSA-N -1 3 314.238 3.669 20 0 DHADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1cccc([O-])c1F ZINC000613110572 1020814005 /nfs/dbraw/zinc/81/40/05/1020814005.db2.gz QEGHGEVAOOESHV-CQSZACIVSA-N -1 3 315.344 3.759 20 0 DHADHM O=C(OCCCc1cccc2ccccc21)c1cncc([O-])c1 ZINC000736826470 1020832191 /nfs/dbraw/zinc/83/21/91/1020832191.db2.gz VDXSPBSMIBJKFC-UHFFFAOYSA-N -1 3 307.349 3.730 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](C2CC2)C1 ZINC000685856618 1020841824 /nfs/dbraw/zinc/84/18/24/1020841824.db2.gz UIZWACHTCHJVAO-HNNXBMFYSA-N -1 3 305.393 3.503 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000613222843 1020859172 /nfs/dbraw/zinc/85/91/72/1020859172.db2.gz PLUWTCKNBFWVAZ-GFCCVEGCSA-N -1 3 305.443 3.766 20 0 DHADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cscn1 ZINC000134253888 1021082869 /nfs/dbraw/zinc/08/28/69/1021082869.db2.gz ZMJDBFCATJSOHL-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CCc1ccccc1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737461942 1021103434 /nfs/dbraw/zinc/10/34/34/1021103434.db2.gz VLCWTROVYOLKPQ-UHFFFAOYSA-N -1 3 304.390 3.580 20 0 DHADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)s1 ZINC000176166751 1021105714 /nfs/dbraw/zinc/10/57/14/1021105714.db2.gz CFKYDAJQUXPOBV-MRVPVSSYSA-N -1 3 313.781 3.666 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC2(CC2)C1 ZINC000888695523 1032954762 /nfs/dbraw/zinc/95/47/62/1032954762.db2.gz BYOXTKRCKKBMMZ-CQSZACIVSA-N -1 3 305.393 3.693 20 0 DHADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000162936301 1021147038 /nfs/dbraw/zinc/14/70/38/1021147038.db2.gz RWBUSEPBDUPPIG-SNVBAGLBSA-N -1 3 323.742 3.909 20 0 DHADHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1OC(F)F ZINC001241293598 1021195411 /nfs/dbraw/zinc/19/54/11/1021195411.db2.gz XANMSYPKSBBSKT-UHFFFAOYSA-N -1 3 302.223 3.947 20 0 DHADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cc2ccccc2s1 ZINC000187810246 1021274282 /nfs/dbraw/zinc/27/42/82/1021274282.db2.gz WPJOAHIRTYVFMA-SNVBAGLBSA-N -1 3 322.393 3.664 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(Cl)c1 ZINC000025366052 1021274352 /nfs/dbraw/zinc/27/43/52/1021274352.db2.gz OJXKXXOALMSABU-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000091992550 1021316738 /nfs/dbraw/zinc/31/67/38/1021316738.db2.gz HVYSQJUHUDOELU-QGZVFWFLSA-N -1 3 312.413 3.661 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccn1 ZINC000743722677 1021356107 /nfs/dbraw/zinc/35/61/07/1021356107.db2.gz YCBJPSJHFKXLQD-JTQLQIEISA-N -1 3 310.731 3.704 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000618396503 1021375532 /nfs/dbraw/zinc/37/55/32/1021375532.db2.gz RZVBRQDGTIXCSF-OAHLLOKOSA-N -1 3 315.344 3.517 20 0 DHADHM Cc1cc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cn2c1 ZINC000670419550 1021392678 /nfs/dbraw/zinc/39/26/78/1021392678.db2.gz FXUBOYUDAKVSHN-UHFFFAOYSA-N -1 3 300.745 3.859 20 0 DHADHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000242445750 1021433194 /nfs/dbraw/zinc/43/31/94/1021433194.db2.gz BNLPWJACUFBNGR-UHFFFAOYSA-N -1 3 318.442 3.724 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(Oc2ccccc2)ccn1 ZINC000129172761 1021446892 /nfs/dbraw/zinc/44/68/92/1021446892.db2.gz QXASNMHKPVSTAH-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCOc1ccccc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000129233626 1021454633 /nfs/dbraw/zinc/45/46/33/1021454633.db2.gz GZJFHDXFGLRYME-ZHACJKMWSA-N -1 3 301.317 3.582 20 0 DHADHM COc1cc(C(=O)Nc2cccc([O-])c2F)ccc1OC(C)C ZINC000129427868 1021486483 /nfs/dbraw/zinc/48/64/83/1021486483.db2.gz FKGCQLPYTKTRAC-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM COc1cccc([C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000744327396 1021511232 /nfs/dbraw/zinc/51/12/32/1021511232.db2.gz MHKFHBSMVNVVFR-LLVKDONJSA-N -1 3 312.325 3.596 20 0 DHADHM COc1cccc([C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000744327396 1021511244 /nfs/dbraw/zinc/51/12/44/1021511244.db2.gz MHKFHBSMVNVVFR-LLVKDONJSA-N -1 3 312.325 3.596 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC2CCC(F)(F)CC2)c1[O-] ZINC000627276377 1021543255 /nfs/dbraw/zinc/54/32/55/1021543255.db2.gz CPKIDUNGVRIBTA-UHFFFAOYSA-N -1 3 311.328 3.749 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337430170 1032989323 /nfs/dbraw/zinc/98/93/23/1032989323.db2.gz USOHMBHLSGOVRF-LRDDRELGSA-N -1 3 303.381 3.678 20 0 DHADHM CC(C)(C)c1cc2c([n-]c(COc3ccccc3)nc2=O)s1 ZINC000069981527 1021577015 /nfs/dbraw/zinc/57/70/15/1021577015.db2.gz LKKLTNWEPKWSLE-UHFFFAOYSA-N -1 3 314.410 3.861 20 0 DHADHM CCC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746078259 1021841463 /nfs/dbraw/zinc/84/14/63/1021841463.db2.gz DUKABMUSMGQIPF-UHFFFAOYSA-N -1 3 318.756 3.849 20 0 DHADHM CC(C)OCc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000556816644 1021861601 /nfs/dbraw/zinc/86/16/01/1021861601.db2.gz GSCUZMHHCLYBDF-UHFFFAOYSA-N -1 3 321.367 3.885 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000746291584 1021903510 /nfs/dbraw/zinc/90/35/10/1021903510.db2.gz JNQSNZFTPQKXOT-UHFFFAOYSA-N -1 3 324.180 3.671 20 0 DHADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ncccn1 ZINC000746296490 1021910291 /nfs/dbraw/zinc/91/02/91/1021910291.db2.gz QTGYVXHWUUWUGV-UHFFFAOYSA-N -1 3 307.806 3.883 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1coc(C2CCC2)n1 ZINC000193226717 1022021798 /nfs/dbraw/zinc/02/17/98/1022021798.db2.gz LCUOAONOXUHEEL-UHFFFAOYSA-N -1 3 309.325 3.849 20 0 DHADHM CC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000153512039 1022082050 /nfs/dbraw/zinc/08/20/50/1022082050.db2.gz BXZKJJTXWCOSMO-UHFFFAOYSA-N -1 3 305.765 3.513 20 0 DHADHM CC(C)CCc1noc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000920506125 1022135434 /nfs/dbraw/zinc/13/54/34/1022135434.db2.gz XAEJETAGOWXYIV-UHFFFAOYSA-N -1 3 319.386 3.558 20 0 DHADHM CCCc1nc(C(=O)[N-]c2c(OC)cccc2SC)co1 ZINC000416125414 1022143373 /nfs/dbraw/zinc/14/33/73/1022143373.db2.gz WAWZLKWYSMGZGH-UHFFFAOYSA-N -1 3 306.387 3.610 20 0 DHADHM CCO[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153602461 1022228335 /nfs/dbraw/zinc/22/83/35/1022228335.db2.gz SDBXXFXYICNHGI-OAHLLOKOSA-N -1 3 305.761 3.762 20 0 DHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C2CC2)cc1 ZINC000416290440 1022239522 /nfs/dbraw/zinc/23/95/22/1022239522.db2.gz LZGZSQCWVPHYBA-GFCCVEGCSA-N -1 3 313.372 3.829 20 0 DHADHM Cc1cncc(/C=C/C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000153708797 1022242256 /nfs/dbraw/zinc/24/22/56/1022242256.db2.gz HKANCIIZYIOXQQ-GORDUTHDSA-N -1 3 322.286 3.766 20 0 DHADHM Cc1nc(Br)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589477 1022361842 /nfs/dbraw/zinc/36/18/42/1022361842.db2.gz NTZMZJWMXMYEKZ-UHFFFAOYSA-N -1 3 314.570 3.650 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(-c2ccncc2)n1 ZINC001212590653 1022432727 /nfs/dbraw/zinc/43/27/27/1022432727.db2.gz XEUPSSLLNQLROB-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM CC(C)c1nc2ccc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212591261 1022450785 /nfs/dbraw/zinc/45/07/85/1022450785.db2.gz CVLWIIXOGQCFRK-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM Cc1ccc(NCCc2coc3ccccc23)cc1-c1nnn[n-]1 ZINC001169597601 1022460235 /nfs/dbraw/zinc/46/02/35/1022460235.db2.gz DZOCGGZGWGMAMS-UHFFFAOYSA-N -1 3 319.368 3.576 20 0 DHADHM Cc1ccc(NCCc2coc3ccccc23)cc1-c1nn[n-]n1 ZINC001169597601 1022460242 /nfs/dbraw/zinc/46/02/42/1022460242.db2.gz DZOCGGZGWGMAMS-UHFFFAOYSA-N -1 3 319.368 3.576 20 0 DHADHM COC(=O)c1cc(F)c(F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212592275 1022475182 /nfs/dbraw/zinc/47/51/82/1022475182.db2.gz HWSQLRGZXCUVOU-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212592491 1022491484 /nfs/dbraw/zinc/49/14/84/1022491484.db2.gz SNGZFXMRJAXQDK-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM Cc1c(Br)ccc(NCc2ncccc2[O-])c1C ZINC001169733514 1022527824 /nfs/dbraw/zinc/52/78/24/1022527824.db2.gz XKFUSJRTNHZEGO-UHFFFAOYSA-N -1 3 307.191 3.779 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1[n-]cnc1C(F)(F)F ZINC000854570659 1022497847 /nfs/dbraw/zinc/49/78/47/1022497847.db2.gz ATPVKDNJAOGLEX-UHFFFAOYSA-N -1 3 309.291 3.948 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1nc[n-]c1C(F)(F)F ZINC000854570659 1022497856 /nfs/dbraw/zinc/49/78/56/1022497856.db2.gz ATPVKDNJAOGLEX-UHFFFAOYSA-N -1 3 309.291 3.948 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC2CC1(c1ccccc1)C2 ZINC000621010441 1022504543 /nfs/dbraw/zinc/50/45/43/1022504543.db2.gz TVKXRQKVYRYUPV-UHFFFAOYSA-N -1 3 313.784 3.807 20 0 DHADHM CC1(C)C[C@@]1(NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000621039282 1022528311 /nfs/dbraw/zinc/52/83/11/1022528311.db2.gz NZQXSNRNOXMYLY-LJQANCHMSA-N -1 3 313.372 3.515 20 0 DHADHM COc1cc(OC)c(OC)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212594490 1022529341 /nfs/dbraw/zinc/52/93/41/1022529341.db2.gz ZXPDGDCTJOKKQM-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cc(Cl)ccc3C)n[n-]2)o1 ZINC000157414013 1022548344 /nfs/dbraw/zinc/54/83/44/1022548344.db2.gz VCYSIIQERJMOEX-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM [O-]c1cc(Nc2c(F)cccc2OC2COC2)ccc1Cl ZINC001212595392 1022550040 /nfs/dbraw/zinc/55/00/40/1022550040.db2.gz RLIMUKVBVMSCRN-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc3sccc3c([O-])c2)n[nH]1 ZINC000855002223 1022560485 /nfs/dbraw/zinc/56/04/85/1022560485.db2.gz QJWNTKSIHHYRAX-KWQFWETISA-N -1 3 313.382 3.706 20 0 DHADHM CSc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000417030356 1022567536 /nfs/dbraw/zinc/56/75/36/1022567536.db2.gz OEZBLTMSVYQZOB-UHFFFAOYSA-N -1 3 301.415 3.702 20 0 DHADHM CCOc1cccc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000390212923 1022781043 /nfs/dbraw/zinc/78/10/43/1022781043.db2.gz OIQSSCDTYVUKTD-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000417559168 1022784643 /nfs/dbraw/zinc/78/46/43/1022784643.db2.gz HLYOFVZUZRAFQN-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM O=c1ccnc(C=Cc2ccccc2OCc2ccccc2)[n-]1 ZINC000742221935 1022807337 /nfs/dbraw/zinc/80/73/37/1022807337.db2.gz WYJCULCPDLDOSF-ZHACJKMWSA-N -1 3 304.349 3.932 20 0 DHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617094300 1022842821 /nfs/dbraw/zinc/84/28/21/1022842821.db2.gz IFAMBVYUGKTDTO-UHFFFAOYSA-N -1 3 322.434 3.799 20 0 DHADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621894822 1022922084 /nfs/dbraw/zinc/92/20/84/1022922084.db2.gz AJMIMUZVAFZZFS-BXKDBHETSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621893661 1022922188 /nfs/dbraw/zinc/92/21/88/1022922188.db2.gz QQNGJUFJKZJUBI-UWVGGRQHSA-N -1 3 301.308 3.672 20 0 DHADHM CC(C)[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621908013 1022929097 /nfs/dbraw/zinc/92/90/97/1022929097.db2.gz JCLHLLAEXCOQNH-JTQLQIEISA-N -1 3 301.308 3.529 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000164154292 1022943352 /nfs/dbraw/zinc/94/33/52/1022943352.db2.gz MQNRHUJOVNMOOB-QGZVFWFLSA-N -1 3 324.424 3.671 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000621938536 1022945244 /nfs/dbraw/zinc/94/52/44/1022945244.db2.gz DZBYHURKWFUFDV-ZJUUUORDSA-N -1 3 301.308 3.529 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC(C)(C)C)nc(=O)c2c1C ZINC000011481846 1022959743 /nfs/dbraw/zinc/95/97/43/1022959743.db2.gz POXBSWKVNCDWIN-SECBINFHSA-N -1 3 322.430 3.642 20 0 DHADHM CC(C)c1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162608787 1023011446 /nfs/dbraw/zinc/01/14/46/1023011446.db2.gz YXIUQCAFJOCGRT-UHFFFAOYSA-N -1 3 303.324 3.743 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000622088843 1023026942 /nfs/dbraw/zinc/02/69/42/1023026942.db2.gz BVUSDVTWFMVHNP-PHIMTYICSA-N -1 3 313.319 3.673 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(Cl)cc2C)cc1 ZINC000768924799 1023057806 /nfs/dbraw/zinc/05/78/06/1023057806.db2.gz BLRUVTGTCGOGII-UHFFFAOYSA-N -1 3 303.789 3.747 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)cc1[O-] ZINC000412350354 1023101160 /nfs/dbraw/zinc/10/11/60/1023101160.db2.gz XNRIGCHIUKEVIO-FZKQIMNGSA-N -1 3 323.392 3.818 20 0 DHADHM CC(C)CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000622341293 1023114809 /nfs/dbraw/zinc/11/48/09/1023114809.db2.gz YIGKJFMKTQDYQA-UHFFFAOYSA-N -1 3 303.324 3.918 20 0 DHADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(C)c1 ZINC000622347713 1023122416 /nfs/dbraw/zinc/12/24/16/1023122416.db2.gz SZUZDUPFIGSMQP-UHFFFAOYSA-N -1 3 311.381 3.840 20 0 DHADHM O=C(Nc1cc(F)c(F)cc1F)c1cc2c(cc1[O-])CCCC2 ZINC000622355689 1023125958 /nfs/dbraw/zinc/12/59/58/1023125958.db2.gz OUQCFSRQNRFSHG-UHFFFAOYSA-N -1 3 321.298 3.941 20 0 DHADHM CCCCN(C)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000770408809 1023307899 /nfs/dbraw/zinc/30/78/99/1023307899.db2.gz OYUDJIMZNWJBAN-UHFFFAOYSA-N -1 3 314.385 3.586 20 0 DHADHM O=C(OCc1ncc(Cl)s1)c1cc(Cl)c(Cl)[n-]1 ZINC000771969976 1023495500 /nfs/dbraw/zinc/49/55/00/1023495500.db2.gz IJVNHWOPAPAPDK-UHFFFAOYSA-N -1 3 311.577 3.788 20 0 DHADHM CCC[C@@H](C)c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000278845206 1023601167 /nfs/dbraw/zinc/60/11/67/1023601167.db2.gz KTPNDJDFBURQHY-SECBINFHSA-N -1 3 307.781 3.925 20 0 DHADHM Cc1c2ccccc2oc1C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030109 1023652926 /nfs/dbraw/zinc/65/29/26/1023652926.db2.gz CFQRXZPANUDTLD-UHFFFAOYSA-N -1 3 323.304 3.855 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1nc(-c2ccccc2)no1 ZINC000786031998 1023654253 /nfs/dbraw/zinc/65/42/53/1023654253.db2.gz WWQKKDZBVADYEC-JTQLQIEISA-N -1 3 323.308 3.729 20 0 DHADHM CC(C)[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccccc1 ZINC000786032996 1023654346 /nfs/dbraw/zinc/65/43/46/1023654346.db2.gz HEHOCIYASVSOIS-QGZVFWFLSA-N -1 3 311.337 3.825 20 0 DHADHM C[C@@H](Cc1ccccc1)NC(=S)Nc1ccc(Cl)cc1[O-] ZINC000786083818 1023662784 /nfs/dbraw/zinc/66/27/84/1023662784.db2.gz OUAHFKKXQNVXQN-NSHDSACASA-N -1 3 320.845 3.963 20 0 DHADHM Cc1ccc(COC(=O)c2cc3sccc3c([O-])c2)c(C)n1 ZINC000786140497 1023663137 /nfs/dbraw/zinc/66/31/37/1023663137.db2.gz QOWYSVIVFZYEQC-UHFFFAOYSA-N -1 3 313.378 3.976 20 0 DHADHM O=C(OCc1ncc(C2CC2)o1)c1cc2sccc2c([O-])c1 ZINC000786130691 1023665781 /nfs/dbraw/zinc/66/57/81/1023665781.db2.gz FHTALLVZBRFDLX-UHFFFAOYSA-N -1 3 315.350 3.829 20 0 DHADHM Cc1nnc([C@@H](C)OC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786131765 1023665897 /nfs/dbraw/zinc/66/58/97/1023665897.db2.gz QFWDBECGQJOYRF-SSDOTTSWSA-N -1 3 320.395 3.685 20 0 DHADHM COCCc1cccc(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000786752112 1023723062 /nfs/dbraw/zinc/72/30/62/1023723062.db2.gz IESZSELBBIPAPJ-UHFFFAOYSA-N -1 3 301.367 3.638 20 0 DHADHM CCc1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000786805694 1023729904 /nfs/dbraw/zinc/72/99/04/1023729904.db2.gz FXHVCFBVMWLOLP-UHFFFAOYSA-N -1 3 305.365 3.551 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000048652777 1023801684 /nfs/dbraw/zinc/80/16/84/1023801684.db2.gz LMAPYIBTBAHJBY-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000049525191 1023855277 /nfs/dbraw/zinc/85/52/77/1023855277.db2.gz KKUUJNSRHMYBDP-CABZTGNLSA-N -1 3 322.257 3.850 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000788303393 1023868737 /nfs/dbraw/zinc/86/87/37/1023868737.db2.gz DGSLGIGZNNGZDQ-TXEJJXNPSA-N -1 3 301.411 3.869 20 0 DHADHM COc1cccc([C@@H](C)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000652487416 1023895657 /nfs/dbraw/zinc/89/56/57/1023895657.db2.gz DXONAOVAPAYUHG-CYBMUJFWSA-N -1 3 311.381 3.513 20 0 DHADHM Cc1ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000663261269 1023984166 /nfs/dbraw/zinc/98/41/66/1023984166.db2.gz IBIKUXYFKBTSNP-LLVKDONJSA-N -1 3 323.742 3.781 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Oc2ccccc2)ccn1 ZINC000531133974 1024020968 /nfs/dbraw/zinc/02/09/68/1024020968.db2.gz RKRLFEZOJAUKKP-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CC(C)(C)OC(=O)Nc1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206036907 1024106225 /nfs/dbraw/zinc/10/62/25/1024106225.db2.gz ADHQIPRPXZYLNX-UHFFFAOYSA-N -1 3 304.321 3.940 20 0 DHADHM O=C(CCCCC(=O)c1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001143523623 1024117643 /nfs/dbraw/zinc/11/76/43/1024117643.db2.gz NSIAQAKUEMSALO-UHFFFAOYSA-N -1 3 315.344 3.913 20 0 DHADHM C[C@@H]1CC/C(=C\C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000269011342 1024222113 /nfs/dbraw/zinc/22/21/13/1024222113.db2.gz HCYFISQDYCAWDY-MXBGMFSPSA-N -1 3 324.218 3.517 20 0 DHADHM O=c1ccnc(C=Cc2ccc(-c3cccc(F)c3F)o2)[n-]1 ZINC000790220436 1024247084 /nfs/dbraw/zinc/24/70/84/1024247084.db2.gz SRPANJUEIUXNHN-FNORWQNLSA-N -1 3 300.264 3.891 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)cc(F)cc1F ZINC000128761659 1024458982 /nfs/dbraw/zinc/45/89/82/1024458982.db2.gz RTXJMUWLASWPQZ-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1nc(C)cs1 ZINC000271445213 1024508453 /nfs/dbraw/zinc/50/84/53/1024508453.db2.gz WBTCMKUSVOGXDE-UHFFFAOYSA-N -1 3 316.426 3.703 20 0 DHADHM CN(C)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792045937 1024623754 /nfs/dbraw/zinc/62/37/54/1024623754.db2.gz VZMKZFBYGMWMKE-UHFFFAOYSA-N -1 3 306.365 3.864 20 0 DHADHM Cc1ccc2c(c1)OCCN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000792197302 1024648082 /nfs/dbraw/zinc/64/80/82/1024648082.db2.gz RYIOSAYVABYHHB-UHFFFAOYSA-N -1 3 319.360 3.893 20 0 DHADHM CC(C)(C)Cc1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000278962700 1024649258 /nfs/dbraw/zinc/64/92/58/1024649258.db2.gz WSWMLBWTALQKQF-UHFFFAOYSA-N -1 3 307.781 3.610 20 0 DHADHM CC(C)Cn1cc(NCc2cc([O-])cc(F)c2)c(C(F)F)n1 ZINC000349612547 1024733065 /nfs/dbraw/zinc/73/30/65/1024733065.db2.gz RKUSQZSWGIGVTJ-UHFFFAOYSA-N -1 3 313.323 3.934 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cscc1C(F)F ZINC000890215497 1024753652 /nfs/dbraw/zinc/75/36/52/1024753652.db2.gz ORMCONYYENCCSP-UHFFFAOYSA-N -1 3 324.255 3.836 20 0 DHADHM O=C([O-])C1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000263145891 1024795206 /nfs/dbraw/zinc/79/52/06/1024795206.db2.gz NDBFQIFQEJQLQF-UHFFFAOYSA-N -1 3 308.230 3.788 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3sccc3C(C)C)n[n-]2)o1 ZINC000353478907 1025083900 /nfs/dbraw/zinc/08/39/00/1025083900.db2.gz WXTPAJQFXDINBK-UHFFFAOYSA-N -1 3 316.386 3.810 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000353487704 1025087331 /nfs/dbraw/zinc/08/73/31/1025087331.db2.gz FONCAKQYQGVQRK-MPEURRAXSA-N -1 3 305.805 3.696 20 0 DHADHM CSCCO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000794184123 1025231733 /nfs/dbraw/zinc/23/17/33/1025231733.db2.gz PEVSTNANEWELGT-SNVBAGLBSA-N -1 3 321.364 3.610 20 0 DHADHM CSCCO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000794194191 1025234548 /nfs/dbraw/zinc/23/45/48/1025234548.db2.gz RZKAZUZXILMQBU-SNVBAGLBSA-N -1 3 321.364 3.610 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c1c(F)ccc2F ZINC000354112927 1025355425 /nfs/dbraw/zinc/35/54/25/1025355425.db2.gz OEEQFFGPELMJHH-UHFFFAOYSA-N -1 3 309.699 3.527 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H]1C1CCCC1 ZINC000889407263 1025392568 /nfs/dbraw/zinc/39/25/68/1025392568.db2.gz MKQBOCXARHFORG-INIZCTEOSA-N -1 3 305.393 3.645 20 0 DHADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000051463138 1025436159 /nfs/dbraw/zinc/43/61/59/1025436159.db2.gz YVEKQCGZJGVJSX-QGZVFWFLSA-N -1 3 309.409 3.796 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccoc1C(F)(F)F ZINC000354641504 1025472132 /nfs/dbraw/zinc/47/21/32/1025472132.db2.gz NDUHSMICNNZIHS-UHFFFAOYSA-N -1 3 322.242 4.206 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCc2cccc(O)c21 ZINC000408416148 1025568253 /nfs/dbraw/zinc/56/82/53/1025568253.db2.gz RRUPLTONWGRFBM-UHFFFAOYSA-N -1 3 323.392 3.570 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(F)c(Cl)c1Cl ZINC000355276563 1025663729 /nfs/dbraw/zinc/66/37/29/1025663729.db2.gz HYVYTOLWXLDWDN-UHFFFAOYSA-N -1 3 301.148 3.523 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000355276612 1025664308 /nfs/dbraw/zinc/66/43/08/1025664308.db2.gz GBDWMRQVOODNKH-UHFFFAOYSA-N -1 3 316.710 3.749 20 0 DHADHM Cc1nc(-c2ccc(C(=O)[N-]c3conc3C)s2)cs1 ZINC001130357179 1025668454 /nfs/dbraw/zinc/66/84/54/1025668454.db2.gz VHHABJFOXQLSOG-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)s1 ZINC000152084721 1025738632 /nfs/dbraw/zinc/73/86/32/1025738632.db2.gz QKTBVKXAUQKPDK-UHFFFAOYSA-N -1 3 316.386 3.676 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc(Cl)ccc1Cl ZINC000067138890 1025850636 /nfs/dbraw/zinc/85/06/36/1025850636.db2.gz GYKKJMSHVJWYIQ-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM CCC[C@@H](C(=O)NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000614254462 1026000748 /nfs/dbraw/zinc/00/07/48/1026000748.db2.gz IDONMVOZADABHF-CQSZACIVSA-N -1 3 318.804 3.641 20 0 DHADHM Cc1ccc([C@H](C)N(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000065054662 1026026009 /nfs/dbraw/zinc/02/60/09/1026026009.db2.gz VADRBRVTEHLIKL-AWEZNQCLSA-N -1 3 320.392 3.670 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1scnc1C(F)F ZINC001274000097 1026107169 /nfs/dbraw/zinc/10/71/69/1026107169.db2.gz AMIFDPWXGPSSAT-UHFFFAOYSA-N -1 3 302.327 3.597 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccc(F)cc2)c1[O-] ZINC000808189094 1026222456 /nfs/dbraw/zinc/22/24/56/1026222456.db2.gz JTMSIQSVXIRGPP-ZHACJKMWSA-N -1 3 313.328 3.776 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1ncsc1-c1ccccc1 ZINC001131210969 1026236778 /nfs/dbraw/zinc/23/67/78/1026236778.db2.gz SVKNGEBLWDECHJ-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM O=C(Cc1coc2cc3c(cc12)CCC3)[N-]OCc1ccccc1 ZINC000025283078 1026273362 /nfs/dbraw/zinc/27/33/62/1026273362.db2.gz CIYARYUSRRMRSB-UHFFFAOYSA-N -1 3 321.376 3.712 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(-c2ccccc2)[nH]1 ZINC000647796437 1026314336 /nfs/dbraw/zinc/31/43/36/1026314336.db2.gz ZGPOVAQHVBVCHF-UHFFFAOYSA-N -1 3 318.336 3.516 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000262157419 1026481149 /nfs/dbraw/zinc/48/11/49/1026481149.db2.gz NRXXLVFVYRCJFU-XHDPSFHLSA-N -1 3 314.212 3.680 20 0 DHADHM O=c1cc(CSCC2CCOCC2)nc(-c2ccccc2)[n-]1 ZINC000419422253 1026709330 /nfs/dbraw/zinc/70/93/30/1026709330.db2.gz MKKRDOXXPDRVMU-UHFFFAOYSA-N -1 3 316.426 3.509 20 0 DHADHM CC(=O)c1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419501317 1026728499 /nfs/dbraw/zinc/72/84/99/1026728499.db2.gz DEZCUBTWMVTIII-UHFFFAOYSA-N -1 3 314.410 3.696 20 0 DHADHM COC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244550772 1026772657 /nfs/dbraw/zinc/77/26/57/1026772657.db2.gz LOWCGTYKXWLHPS-UHFFFAOYSA-N -1 3 308.736 3.876 20 0 DHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1cnccn1 ZINC000810562552 1026782062 /nfs/dbraw/zinc/78/20/62/1026782062.db2.gz OFPXIZBSCXSEHM-ZETCQYMHSA-N -1 3 307.762 3.591 20 0 DHADHM Cc1cc(C)n(CCOC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000810545096 1026787823 /nfs/dbraw/zinc/78/78/23/1026787823.db2.gz CCMUUXJUMVCICB-UHFFFAOYSA-N -1 3 323.805 3.553 20 0 DHADHM O=C(OCCCOCC(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810809691 1026853101 /nfs/dbraw/zinc/85/31/01/1026853101.db2.gz SOEVLDZHVPTERU-UHFFFAOYSA-N -1 3 323.748 3.711 20 0 DHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(N(C)C)cn1 ZINC000810974275 1026903259 /nfs/dbraw/zinc/90/32/59/1026903259.db2.gz WEEIYOYWKFAQKM-SNVBAGLBSA-N -1 3 315.398 3.608 20 0 DHADHM CCc1cccc(OC)c1COC(=O)c1cccc(Cl)c1[O-] ZINC001269113753 1026951903 /nfs/dbraw/zinc/95/19/03/1026951903.db2.gz KTDSNEVURWZVFD-UHFFFAOYSA-N -1 3 320.772 3.974 20 0 DHADHM O=C([N-]OC1CCCCC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000811230465 1026958405 /nfs/dbraw/zinc/95/84/05/1026958405.db2.gz OHSLYLYAAYEMIO-UHFFFAOYSA-N -1 3 323.261 3.978 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)s1 ZINC001132715865 1026968061 /nfs/dbraw/zinc/96/80/61/1026968061.db2.gz CJSOMGYEDZGAQT-UHFFFAOYSA-N -1 3 317.263 3.759 20 0 DHADHM CSCCO[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000811482416 1027007723 /nfs/dbraw/zinc/00/77/23/1027007723.db2.gz XAUATDGLXDVGIU-UHFFFAOYSA-N -1 3 313.488 3.652 20 0 DHADHM CCCc1[nH]ccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000421793564 1027055067 /nfs/dbraw/zinc/05/50/67/1027055067.db2.gz WWFHRXDIAKBIOF-UHFFFAOYSA-N -1 3 312.291 3.944 20 0 DHADHM O=C1Nc2ccccc2/C1=C/c1cc([O-])cc(C(F)(F)F)c1 ZINC000811685689 1027063043 /nfs/dbraw/zinc/06/30/43/1027063043.db2.gz ZWIVKWYBISOBEY-QPEQYQDCSA-N -1 3 305.255 3.904 20 0 DHADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000811691104 1027068136 /nfs/dbraw/zinc/06/81/36/1027068136.db2.gz JLAXBDSNGDHOEE-WFKFFMJQSA-N -1 3 304.296 3.900 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(SC(F)F)nc2)c1F ZINC000811835107 1027097339 /nfs/dbraw/zinc/09/73/39/1027097339.db2.gz MSAWXQMENNDIBZ-UHFFFAOYSA-N -1 3 318.295 3.992 20 0 DHADHM CC(C)CCOC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295289318 1027182568 /nfs/dbraw/zinc/18/25/68/1027182568.db2.gz JAGJANJIWCPZHF-UHFFFAOYSA-N -1 3 313.388 3.698 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C)c1O ZINC000295322305 1027198312 /nfs/dbraw/zinc/19/83/12/1027198312.db2.gz OGRIJVDPAJIJDR-UHFFFAOYSA-N -1 3 317.410 3.687 20 0 DHADHM O=C(NCc1cc2c(s1)CCCC2)c1cc([O-])ccc1Cl ZINC000572891528 1027238250 /nfs/dbraw/zinc/23/82/50/1027238250.db2.gz FWTXJRRXIASAHS-UHFFFAOYSA-N -1 3 321.829 3.916 20 0 DHADHM CC(C)(C)OC1CC(CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000573218373 1027272372 /nfs/dbraw/zinc/27/23/72/1027272372.db2.gz DTXBWYVZTMZIBF-UHFFFAOYSA-N -1 3 311.809 3.968 20 0 DHADHM O=C(CCCC1CC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000812536972 1027315736 /nfs/dbraw/zinc/31/57/36/1027315736.db2.gz VIHXIOSOWUPMNK-UHFFFAOYSA-N -1 3 301.308 3.834 20 0 DHADHM O=C(CCCc1cccc(C(F)(F)F)c1)[N-]OC1CCC1 ZINC000812792072 1027420234 /nfs/dbraw/zinc/42/02/34/1027420234.db2.gz KFDCCVBJHWLYCH-UHFFFAOYSA-N -1 3 301.308 3.628 20 0 DHADHM Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000562515240 1027475522 /nfs/dbraw/zinc/47/55/22/1027475522.db2.gz WOBJXKIOLOHVEQ-UHFFFAOYSA-N -1 3 317.360 3.808 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(Cc3cccc(F)c3)CC2)o1 ZINC000575413082 1027482328 /nfs/dbraw/zinc/48/23/28/1027482328.db2.gz WOHVXWIWYRWTEA-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000295937607 1027493485 /nfs/dbraw/zinc/49/34/85/1027493485.db2.gz KRKMLARMUBBJGV-UHFFFAOYSA-N -1 3 321.373 3.513 20 0 DHADHM CO[C@@](C)(COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000813186527 1027556262 /nfs/dbraw/zinc/55/62/62/1027556262.db2.gz QZMQEURBSLRVHN-AWEZNQCLSA-N -1 3 313.806 3.855 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc(OC)n1 ZINC000813306061 1027601550 /nfs/dbraw/zinc/60/15/50/1027601550.db2.gz RPGMQFVSVZIPDQ-UHFFFAOYSA-N -1 3 306.362 3.594 20 0 DHADHM CCc1oc2ccccc2c1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000576359934 1027607586 /nfs/dbraw/zinc/60/75/86/1027607586.db2.gz GPAQRJJFXZKBQP-MRXNPFEDSA-N -1 3 324.380 3.696 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1[O-] ZINC000577064912 1027700428 /nfs/dbraw/zinc/70/04/28/1027700428.db2.gz NOASKPJRZSNXKR-BEFAXECRSA-N -1 3 309.365 3.727 20 0 DHADHM CC(C)(C)[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000116308452 1027812157 /nfs/dbraw/zinc/81/21/57/1027812157.db2.gz NFMUTBUMTCBQRV-LBPRGKRZSA-N -1 3 319.474 3.633 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ccccc3F)CC2)n1 ZINC000577703707 1027898270 /nfs/dbraw/zinc/89/82/70/1027898270.db2.gz RVNRQZHHKPQKCI-CYBMUJFWSA-N -1 3 315.392 3.570 20 0 DHADHM CC(C)=CCC[C@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000563183469 1027923509 /nfs/dbraw/zinc/92/35/09/1027923509.db2.gz SBGUSEVMWLOQIZ-VIFPVBQESA-N -1 3 304.316 3.535 20 0 DHADHM CC(C)=CCC[C@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000563183469 1027923528 /nfs/dbraw/zinc/92/35/28/1027923528.db2.gz SBGUSEVMWLOQIZ-VIFPVBQESA-N -1 3 304.316 3.535 20 0 DHADHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000577921707 1027989144 /nfs/dbraw/zinc/98/91/44/1027989144.db2.gz QOKYRPZFFPJOJJ-ROUUACIJSA-N -1 3 303.361 3.831 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/Cc1cccc(F)c1 ZINC000048443739 1028081097 /nfs/dbraw/zinc/08/10/97/1028081097.db2.gz SGDOBEAOLYJLKZ-RQZCQDPDSA-N -1 3 308.150 3.913 20 0 DHADHM O=c1cc(CSC[C@H]2CCCOC2)nc(-c2ccccc2)[n-]1 ZINC000578337226 1028124453 /nfs/dbraw/zinc/12/44/53/1028124453.db2.gz YVJDWCDKVCFXCS-ZDUSSCGKSA-N -1 3 316.426 3.509 20 0 DHADHM O=c1cc(CSC[C@@H]2CCCOC2)nc(-c2ccccc2)[n-]1 ZINC000578337225 1028124970 /nfs/dbraw/zinc/12/49/70/1028124970.db2.gz YVJDWCDKVCFXCS-CYBMUJFWSA-N -1 3 316.426 3.509 20 0 DHADHM Cc1ccccc1[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448962151 1028232008 /nfs/dbraw/zinc/23/20/08/1028232008.db2.gz PAXWVQDAFWCAMC-LJQANCHMSA-N -1 3 313.372 3.650 20 0 DHADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc([O-])ccc1Cl ZINC000368228822 1028322209 /nfs/dbraw/zinc/32/22/09/1028322209.db2.gz RIWCXOCONCKXON-JOCQHMNTSA-N -1 3 301.773 3.722 20 0 DHADHM COCc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000815230878 1028421963 /nfs/dbraw/zinc/42/19/63/1028421963.db2.gz SCIMQQRBHQYHGX-UHFFFAOYSA-N -1 3 306.745 3.549 20 0 DHADHM CCC[C@H](C(=O)NCc1ncccc1[O-])c1cccc(Cl)c1 ZINC000626738162 1028662445 /nfs/dbraw/zinc/66/24/45/1028662445.db2.gz LZSQVSBOJRFSEK-AWEZNQCLSA-N -1 3 318.804 3.641 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2C)c([O-])c1 ZINC000193376123 1028720259 /nfs/dbraw/zinc/72/02/59/1028720259.db2.gz NSKHXYKQORSPDZ-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)no1 ZINC000372537105 1028871742 /nfs/dbraw/zinc/87/17/42/1028871742.db2.gz SRMMTIVLBGBPBI-UHFFFAOYSA-N -1 3 324.365 3.611 20 0 DHADHM CC[C@@H](C)CONC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000816977653 1029045549 /nfs/dbraw/zinc/04/55/49/1029045549.db2.gz FBLSPCPFRMXFNJ-CQSZACIVSA-N -1 3 313.397 3.691 20 0 DHADHM Cc1ccoc1CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000817026773 1029053396 /nfs/dbraw/zinc/05/33/96/1029053396.db2.gz SIFKWHKCJIRINX-UHFFFAOYSA-N -1 3 301.367 3.781 20 0 DHADHM Fc1c(Cl)cc(Cl)cc1-c1ccccc1-c1nnn[n-]1 ZINC001245744011 1029084877 /nfs/dbraw/zinc/08/48/77/1029084877.db2.gz AACAOBLPBCGKHH-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM Fc1c(Cl)cc(Cl)cc1-c1ccccc1-c1nn[n-]n1 ZINC001245744011 1029084892 /nfs/dbraw/zinc/08/48/92/1029084892.db2.gz AACAOBLPBCGKHH-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OCCC2CC2)c(C)c1 ZINC000817430254 1029164690 /nfs/dbraw/zinc/16/46/90/1029164690.db2.gz XDBUDVZIQJWXOM-UHFFFAOYSA-N -1 3 317.429 3.813 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN(C)CCOc1cccc(C)c1 ZINC000569347397 1029221482 /nfs/dbraw/zinc/22/14/82/1029221482.db2.gz AWINRNBASVXSRV-UHFFFAOYSA-N -1 3 319.426 3.574 20 0 DHADHM CC(C)CCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000450152067 1029225176 /nfs/dbraw/zinc/22/51/76/1029225176.db2.gz KHQFIKQNPRNZCX-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(F)ccc1F ZINC000190968221 1029229674 /nfs/dbraw/zinc/22/96/74/1029229674.db2.gz INTYBQXTXWPGGK-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM Nc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c([O-])c1 ZINC000817912811 1029274922 /nfs/dbraw/zinc/27/49/22/1029274922.db2.gz JJUYFNLKELEQJI-UHFFFAOYSA-N -1 3 312.369 3.548 20 0 DHADHM CCC1CCC(N(C(=O)c2ccc(N)cc2[O-])C2CC2)CC1 ZINC000817920182 1029276265 /nfs/dbraw/zinc/27/62/65/1029276265.db2.gz CZEWWVBUVCMSOY-UHFFFAOYSA-N -1 3 302.418 3.548 20 0 DHADHM Nc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)c([O-])c1 ZINC000817954405 1029293036 /nfs/dbraw/zinc/29/30/36/1029293036.db2.gz CNBGIKOAIYFZIV-UHFFFAOYSA-N -1 3 302.418 3.551 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000529440096 1029299117 /nfs/dbraw/zinc/29/91/17/1029299117.db2.gz UBCQWANDILVZTC-ZEGGKSINSA-N -1 3 324.218 3.694 20 0 DHADHM CC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nccs1 ZINC000191145851 1029302148 /nfs/dbraw/zinc/30/21/48/1029302148.db2.gz ABDMAGMBFDQXMW-SNVBAGLBSA-N -1 3 300.786 3.882 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817998509 1029303547 /nfs/dbraw/zinc/30/35/47/1029303547.db2.gz HKVBFYRRHZYULD-CQSZACIVSA-N -1 3 312.413 3.630 20 0 DHADHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000044011961 1029304677 /nfs/dbraw/zinc/30/46/77/1029304677.db2.gz KHFWMOIGOZRSQN-XPAGJJBOSA-N -1 3 314.772 3.720 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001136076448 1029306764 /nfs/dbraw/zinc/30/67/64/1029306764.db2.gz LCOGQZXEIZNQIB-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@H]2CCC[C@H]21 ZINC000629373120 1029316006 /nfs/dbraw/zinc/31/60/06/1029316006.db2.gz GLQJNIRMHJFQRT-SCRDCRAPSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000629373199 1029318058 /nfs/dbraw/zinc/31/80/58/1029318058.db2.gz HSMKKEGVYOLPPR-ZOWXZIJZSA-N -1 3 311.784 3.554 20 0 DHADHM CCOC([O-])=NOCCCCOc1cccc(C(F)(F)F)c1 ZINC000818106502 1029337009 /nfs/dbraw/zinc/33/70/09/1029337009.db2.gz QQOOHRFIFDBJDX-UHFFFAOYSA-N -1 3 321.295 3.542 20 0 DHADHM CCOC(=O)[N-]OCCCCOc1cccc(C(F)(F)F)c1 ZINC000818106502 1029337026 /nfs/dbraw/zinc/33/70/26/1029337026.db2.gz QQOOHRFIFDBJDX-UHFFFAOYSA-N -1 3 321.295 3.542 20 0 DHADHM Cc1cnc([C@H](C)NCc2c([O-])ccc(Cl)c2F)s1 ZINC000191292954 1029359414 /nfs/dbraw/zinc/35/94/14/1029359414.db2.gz YWZPVAUJVGLIQX-QMMMGPOBSA-N -1 3 300.786 3.800 20 0 DHADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccccc1[O-] ZINC001136251492 1029598623 /nfs/dbraw/zinc/59/86/23/1029598623.db2.gz DVRSFBJBVYOOOP-UHFFFAOYSA-N -1 3 313.372 3.773 20 0 DHADHM CC[C@H](CNC(=O)c1ccc(C)cc1[O-])Oc1cccc(C)c1 ZINC001136278775 1029622509 /nfs/dbraw/zinc/62/25/09/1029622509.db2.gz GTTPVBXHODXNMK-OAHLLOKOSA-N -1 3 313.397 3.596 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(C2CCC2)cc1 ZINC000451168272 1029809241 /nfs/dbraw/zinc/80/92/41/1029809241.db2.gz BEAVIYOBUXVQAE-UHFFFAOYSA-N -1 3 313.372 3.658 20 0 DHADHM CCC(CC)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000121676620 1029813123 /nfs/dbraw/zinc/81/31/23/1029813123.db2.gz QSUCXSLFAFOENP-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc3cnn(CC)c3c2)c1[O-] ZINC001136500381 1029874280 /nfs/dbraw/zinc/87/42/80/1029874280.db2.gz NGEOBZRNPGJMJB-UHFFFAOYSA-N -1 3 309.369 3.577 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)o1 ZINC000451589807 1029931616 /nfs/dbraw/zinc/93/16/16/1029931616.db2.gz WNXCBRVOBCUTQR-GFCCVEGCSA-N -1 3 305.399 3.505 20 0 DHADHM CCc1cccc(C(=O)Nc2nc(C(F)(F)F)cs2)c1[O-] ZINC000530714980 1029977278 /nfs/dbraw/zinc/97/72/78/1029977278.db2.gz GQSLVBAWBSHURK-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM C[C@H](COC(=O)c1cccc2[n-]c(C(F)F)nc21)C(F)(F)F ZINC000924080502 1030012794 /nfs/dbraw/zinc/01/27/94/1030012794.db2.gz WXHPVCKLJNBTTE-ZCFIWIBFSA-N -1 3 322.233 3.856 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000794866001 1030016509 /nfs/dbraw/zinc/01/65/09/1030016509.db2.gz SHKYSYROXYUHED-NSHDSACASA-N -1 3 319.323 3.612 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000794870113 1030060613 /nfs/dbraw/zinc/06/06/13/1030060613.db2.gz KWLDGTHGJZUDPV-CQSZACIVSA-N -1 3 313.397 3.897 20 0 DHADHM CCc1cccc(C(=O)N2CCSC3(CCCCC3)C2)c1[O-] ZINC000530959642 1030096635 /nfs/dbraw/zinc/09/66/35/1030096635.db2.gz RLYPAFSPZHRQIM-UHFFFAOYSA-N -1 3 319.470 3.847 20 0 DHADHM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]2CCCC[C@@H]12 ZINC000533239376 1030210196 /nfs/dbraw/zinc/21/01/96/1030210196.db2.gz ZJBCYRXKTNSUFG-DYEKYZERSA-N -1 3 317.458 3.798 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(CF)cc1 ZINC000777538857 1030230574 /nfs/dbraw/zinc/23/05/74/1030230574.db2.gz DKSYSBWUEBDFCV-UHFFFAOYSA-N -1 3 301.361 3.727 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C3(C)CCCCCC3)n[n-]2)o1 ZINC000358475936 1030502497 /nfs/dbraw/zinc/50/24/97/1030502497.db2.gz XGMCFVCNJGHINQ-UHFFFAOYSA-N -1 3 302.378 3.672 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1cc(-c2ccccc2)no1 ZINC000067089945 1030523269 /nfs/dbraw/zinc/52/32/69/1030523269.db2.gz LLEABGBUWGFPBD-UHFFFAOYSA-N -1 3 300.264 3.872 20 0 DHADHM C[C@@H](c1ccco1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000069068660 1030543703 /nfs/dbraw/zinc/54/37/03/1030543703.db2.gz AJCZOVHNAFNFCJ-NSHDSACASA-N -1 3 323.352 3.868 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000558386142 1030553622 /nfs/dbraw/zinc/55/36/22/1030553622.db2.gz NZZIVGOLICOCNJ-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM CC(C)Cc1nsc([N-]C(=O)c2sccc2C(F)F)n1 ZINC000824510195 1030579697 /nfs/dbraw/zinc/57/96/97/1030579697.db2.gz XRJGNYCGCBRDJI-UHFFFAOYSA-N -1 3 317.386 3.988 20 0 DHADHM [O-]c1ccc(Nc2csc(-c3ccncc3)n2)c(F)c1F ZINC001212005154 1030637615 /nfs/dbraw/zinc/63/76/15/1030637615.db2.gz AEAAXMBCTIWNON-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM [O-]c1ccc(Nc2cc(-c3ccccc3O)no2)c(F)c1F ZINC001212005594 1030640180 /nfs/dbraw/zinc/64/01/80/1030640180.db2.gz PNIALOYECTTWFB-UHFFFAOYSA-N -1 3 304.252 3.775 20 0 DHADHM [O-]c1ccc(Nc2ccc(Oc3ncccn3)cc2)c(F)c1F ZINC001212009464 1030650144 /nfs/dbraw/zinc/65/01/44/1030650144.db2.gz PRMVYKDZHIPXQQ-UHFFFAOYSA-N -1 3 315.279 3.996 20 0 DHADHM Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc([O-])c(F)c1F ZINC001212016383 1030672934 /nfs/dbraw/zinc/67/29/34/1030672934.db2.gz NMGWPTLIRLMNOY-UHFFFAOYSA-N -1 3 318.323 3.615 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)=C3CCC3)c2)n1 ZINC000825240059 1030754680 /nfs/dbraw/zinc/75/46/80/1030754680.db2.gz GCAGHVULCHSRSW-UHFFFAOYSA-N -1 3 323.396 3.851 20 0 DHADHM CCCCCC(C)(C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305096 1030772066 /nfs/dbraw/zinc/77/20/66/1030772066.db2.gz ROVJWINTPIFYTC-UHFFFAOYSA-N -1 3 319.449 3.672 20 0 DHADHM CCCCC[C@H](C)CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825305215 1030772590 /nfs/dbraw/zinc/77/25/90/1030772590.db2.gz VJYAROPVNFEDCW-ZDUSSCGKSA-N -1 3 319.449 3.672 20 0 DHADHM CCCCCCO[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843888095 1030886646 /nfs/dbraw/zinc/88/66/46/1030886646.db2.gz DQOCOPWTYUWFAY-CYBMUJFWSA-N -1 3 307.390 3.519 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccccn2)C(C)C)c1 ZINC000666824004 1031135745 /nfs/dbraw/zinc/13/57/45/1031135745.db2.gz DFHFGIDQSLNUTC-UHFFFAOYSA-N -1 3 316.426 3.560 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3c(C)cccc3[O-])CC2)c1 ZINC000626344016 1031237406 /nfs/dbraw/zinc/23/74/06/1031237406.db2.gz WJBYJQMBKUTUIJ-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000171013595 1031351440 /nfs/dbraw/zinc/35/14/40/1031351440.db2.gz GMKNXIJPEKITKI-GFCCVEGCSA-N -1 3 323.389 3.642 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1 ZINC000536697136 1031404847 /nfs/dbraw/zinc/40/48/47/1031404847.db2.gz AFSCTYWKNDEGGY-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc([O-])c1F ZINC000872022624 1031405829 /nfs/dbraw/zinc/40/58/29/1031405829.db2.gz ZQRJXFFSEYARMZ-WDEREUQCSA-N -1 3 303.333 3.672 20 0 DHADHM C[C@@H](NCc1ccc2c(c1)OCCCO2)c1cccc([O-])c1F ZINC000872032711 1031416875 /nfs/dbraw/zinc/41/68/75/1031416875.db2.gz YKXVKMUQUOHXDP-GFCCVEGCSA-N -1 3 317.360 3.543 20 0 DHADHM C[C@H](NCc1ccc2c(c1)OCCCO2)c1cccc([O-])c1F ZINC000872032712 1031417431 /nfs/dbraw/zinc/41/74/31/1031417431.db2.gz YKXVKMUQUOHXDP-LBPRGKRZSA-N -1 3 317.360 3.543 20 0 DHADHM CCN(C)c1ccccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872034197 1031420040 /nfs/dbraw/zinc/42/00/40/1031420040.db2.gz MIJKSNJPOQHVSY-ZDUSSCGKSA-N -1 3 302.393 3.838 20 0 DHADHM COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872040347 1031425893 /nfs/dbraw/zinc/42/58/93/1031425893.db2.gz XZNXTKOTKXADLP-IAQYHMDHSA-N -1 3 317.360 3.714 20 0 DHADHM COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872045050 1031433910 /nfs/dbraw/zinc/43/39/10/1031433910.db2.gz HVPZNJZFFJERNL-SMDDNHRTSA-N -1 3 317.360 3.714 20 0 DHADHM C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872046188 1031434146 /nfs/dbraw/zinc/43/41/46/1031434146.db2.gz VJTIZEDMZKSNRT-HZMBPMFUSA-N -1 3 305.324 3.845 20 0 DHADHM COc1ccc(C2(N[C@H](C)c3cccc([O-])c3F)CC2)cc1 ZINC000872054900 1031445870 /nfs/dbraw/zinc/44/58/70/1031445870.db2.gz DHBKTCOHTGUATI-GFCCVEGCSA-N -1 3 301.361 3.880 20 0 DHADHM Cc1nocc1[N-]C(=O)c1ncsc1Nc1ccc(C)cc1 ZINC001144329121 1031473277 /nfs/dbraw/zinc/47/32/77/1031473277.db2.gz FACJNFQWYUXLJQ-UHFFFAOYSA-N -1 3 314.370 3.744 20 0 DHADHM CC(C)[C@H](O)[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872088413 1031485605 /nfs/dbraw/zinc/48/56/05/1031485605.db2.gz OBWLCLGRAVOKLA-BKTGTZMESA-N -1 3 317.404 3.940 20 0 DHADHM COc1ccc([C@@H](N[C@H](C)c2cccc([O-])c2F)C2CC2)cn1 ZINC000872090921 1031487218 /nfs/dbraw/zinc/48/72/18/1031487218.db2.gz FWFVIZYVLVNLGQ-ZMZPIMSZSA-N -1 3 316.376 3.737 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC001144555166 1031704251 /nfs/dbraw/zinc/70/42/51/1031704251.db2.gz YBVTZUULQQMCEJ-AWEZNQCLSA-N -1 3 303.352 3.735 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(c3ccc(O)cc3)CC2)c(F)c1 ZINC001144560933 1031713429 /nfs/dbraw/zinc/71/34/29/1031713429.db2.gz CMMKEVGZBXWEHR-UHFFFAOYSA-N -1 3 319.351 3.756 20 0 DHADHM CC(C)(C)[C@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001144636828 1031782307 /nfs/dbraw/zinc/78/23/07/1031782307.db2.gz TYTDXJIZTOEFQH-OKILXGFUSA-N -1 3 307.409 3.795 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H](CC)CO1 ZINC000846375270 1031968871 /nfs/dbraw/zinc/96/88/71/1031968871.db2.gz NXDHMOVNBKCKBI-QWHCGFSZSA-N -1 3 319.426 3.637 20 0 DHADHM COCCCOc1ccccc1NCc1c(F)ccc([O-])c1F ZINC000294451709 1032009455 /nfs/dbraw/zinc/00/94/55/1032009455.db2.gz YHYPYWSOCIKICG-UHFFFAOYSA-N -1 3 323.339 3.698 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H](C)C2)c1 ZINC001144918696 1032048153 /nfs/dbraw/zinc/04/81/53/1032048153.db2.gz KBDIMBHQLXGRGU-CQSZACIVSA-N -1 3 309.409 3.757 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000136583033 1033310339 /nfs/dbraw/zinc/31/03/39/1033310339.db2.gz LQWONNAWDWKGDP-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000478188599 1033427168 /nfs/dbraw/zinc/42/71/68/1033427168.db2.gz ZPDAAYOCFQXDAK-AWEZNQCLSA-N -1 3 307.409 3.891 20 0 DHADHM O=C1N[C@@H](c2ccc([O-])cc2F)Nc2c3ccccc3sc21 ZINC000877855706 1033487501 /nfs/dbraw/zinc/48/75/01/1033487501.db2.gz TZNQNHGDNDIYFH-HNNXBMFYSA-N -1 3 314.341 3.600 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000552710503 1033489729 /nfs/dbraw/zinc/48/97/29/1033489729.db2.gz XHXOOMSCFJXSGF-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)c(OC)cc2C)c1 ZINC000478781232 1033580569 /nfs/dbraw/zinc/58/05/69/1033580569.db2.gz DBIJSNXXNAYYGT-UHFFFAOYSA-N -1 3 303.333 3.663 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN2CCCCc3ccccc32)o1 ZINC000878255658 1033638088 /nfs/dbraw/zinc/63/80/88/1033638088.db2.gz MTONDXRTTHWDPT-UHFFFAOYSA-N -1 3 321.380 3.785 20 0 DHADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000479474316 1033768888 /nfs/dbraw/zinc/76/88/88/1033768888.db2.gz ZRVLYGDBRDGLEX-ZDUSSCGKSA-N -1 3 324.384 3.896 20 0 DHADHM Cc1nc(CCCC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000176138395 1034068910 /nfs/dbraw/zinc/06/89/10/1034068910.db2.gz JDBQAHGTWTWDIH-UHFFFAOYSA-N -1 3 310.806 3.772 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cncc(OC)n1 ZINC000480168439 1034108060 /nfs/dbraw/zinc/10/80/60/1034108060.db2.gz TVMWSWDANNIMCW-UHFFFAOYSA-N -1 3 323.805 3.503 20 0 DHADHM O=c1cc(Nc2cccc3cnccc32)[n-]n1-c1ccccc1 ZINC001174136545 1034161001 /nfs/dbraw/zinc/16/10/01/1034161001.db2.gz LVBCIVUDHNZVNJ-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM CCN(CC)C(=O)c1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001174164141 1034186909 /nfs/dbraw/zinc/18/69/09/1034186909.db2.gz AXLNFGBJDLGWDN-UHFFFAOYSA-N -1 3 316.405 3.593 20 0 DHADHM [O-]c1cccc(Nc2cccc3n[nH]cc32)c1Br ZINC001174348223 1034310489 /nfs/dbraw/zinc/31/04/89/1034310489.db2.gz RURSHJMMVVBHJY-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cnc2[nH]ccc2c1 ZINC001174399553 1034328952 /nfs/dbraw/zinc/32/89/52/1034328952.db2.gz PLBCSMPGPWUZQN-UHFFFAOYSA-N -1 3 322.137 3.865 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)c([O-])c1 ZINC000888828068 1034384588 /nfs/dbraw/zinc/38/45/88/1034384588.db2.gz RUFNMQZTKYMXKT-YWZLYKJASA-N -1 3 322.408 3.501 20 0 DHADHM Cn1ccc2ccc(Nc3ncc(Br)cc3[O-])cc21 ZINC001174514207 1034471077 /nfs/dbraw/zinc/47/10/77/1034471077.db2.gz XIDXKXKDFRATEV-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Cc1ccc(Nc2cnn([C@H]3CCCCO3)c2)c(Cl)c1[O-] ZINC001174610755 1034536168 /nfs/dbraw/zinc/53/61/68/1034536168.db2.gz IPHMBDWYOSAGMB-CYBMUJFWSA-N -1 3 307.781 3.993 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000185536843 1034557747 /nfs/dbraw/zinc/55/77/47/1034557747.db2.gz OQVGDRBZFCPYLV-GOSISDBHSA-N -1 3 317.360 3.701 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC000629373233 1034603821 /nfs/dbraw/zinc/60/38/21/1034603821.db2.gz KSEFKHYWPZGZHM-HFAKWTLXSA-N -1 3 311.784 3.554 20 0 DHADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)CCOC2(CCC2)C1 ZINC000899488186 1034705674 /nfs/dbraw/zinc/70/56/74/1034705674.db2.gz NGNPNMQGDUIMGF-MRXNPFEDSA-N -1 3 323.820 3.515 20 0 DHADHM CCOc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001175049723 1034773402 /nfs/dbraw/zinc/77/34/02/1034773402.db2.gz GTVXVXOPFFPYNX-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM O=c1ccccn1-c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099374 1034779582 /nfs/dbraw/zinc/77/95/82/1034779582.db2.gz DAFZRIYFGLSXDC-UHFFFAOYSA-N -1 3 314.291 3.565 20 0 DHADHM [O-]c1cc(F)c(Nc2ccccc2OC2CCOCC2)c(F)c1 ZINC001175099394 1034780164 /nfs/dbraw/zinc/78/01/64/1034780164.db2.gz DUTPSQFPCLMTPC-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(Br)cc2O)c(F)c1 ZINC001175100518 1034782825 /nfs/dbraw/zinc/78/28/25/1034782825.db2.gz WOYIHUQJASMDOG-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CN1c2cc(Nc3c(F)cc([O-])cc3F)ccc2C(C)(C)C1=O ZINC001175102272 1034783594 /nfs/dbraw/zinc/78/35/94/1034783594.db2.gz FSCCUDNKOVRUNB-UHFFFAOYSA-N -1 3 318.323 3.668 20 0 DHADHM COC(=O)[C@@H](C)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175103736 1034785793 /nfs/dbraw/zinc/78/57/93/1034785793.db2.gz YEVMNTSZXDOGEF-VIFPVBQESA-N -1 3 307.296 3.691 20 0 DHADHM COC(=O)[C@H]1CCc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175103752 1034785924 /nfs/dbraw/zinc/78/59/24/1034785924.db2.gz YRMQUHKYCLTDDO-ZDUSSCGKSA-N -1 3 319.307 3.617 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cccc(O[C@H]2CCCCO2)c1 ZINC001175186658 1034861863 /nfs/dbraw/zinc/86/18/63/1034861863.db2.gz IQAVWFJCGDRGOY-HNNXBMFYSA-N -1 3 304.321 3.575 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(CC)c2[O-])C1 ZINC000162878730 1034873391 /nfs/dbraw/zinc/87/33/91/1034873391.db2.gz FVCUQAMVLGJHMJ-KBPBESRZSA-N -1 3 307.459 3.701 20 0 DHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448664824 1034873867 /nfs/dbraw/zinc/87/38/67/1034873867.db2.gz KRVFSOGVICIOJD-CQSZACIVSA-N -1 3 315.388 3.910 20 0 DHADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(-c2ccccc2)n1 ZINC001175260817 1034911990 /nfs/dbraw/zinc/91/19/90/1034911990.db2.gz BTPXTUGYLPIYRE-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccnc2OC(F)(F)F)c1F ZINC001175266651 1034913614 /nfs/dbraw/zinc/91/36/14/1034913614.db2.gz VLVBGHQXJLIKSX-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc3nc(C4CCC4)nn3c2)c1F ZINC001175264862 1034914313 /nfs/dbraw/zinc/91/43/13/1034914313.db2.gz KETXGXFOKPDMDG-UHFFFAOYSA-N -1 3 316.311 3.724 20 0 DHADHM CC(=O)c1cc(Nc2c(F)ccc([O-])c2F)cc(C(C)=O)c1 ZINC001175269984 1034916724 /nfs/dbraw/zinc/91/67/24/1034916724.db2.gz QEYBVHBUDMICJM-UHFFFAOYSA-N -1 3 305.280 3.819 20 0 DHADHM COc1ccc2cccnc2c1Nc1c(F)ccc([O-])c1F ZINC001175270924 1034916751 /nfs/dbraw/zinc/91/67/51/1034916751.db2.gz OETMSQSQQPNKMY-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CN1CCc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc2C1 ZINC001175321085 1034934303 /nfs/dbraw/zinc/93/43/03/1034934303.db2.gz QCEBMSLZAWEZSY-UHFFFAOYSA-N -1 3 316.788 3.770 20 0 DHADHM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([O-])ccc1Cl ZINC000481778278 1034975738 /nfs/dbraw/zinc/97/57/38/1034975738.db2.gz KLGKIVWVSOLAMQ-AULYBMBSSA-N -1 3 319.763 3.861 20 0 DHADHM Cn1ncc2cc(Nc3cccc([O-])c3Br)ccc21 ZINC001175423076 1034976275 /nfs/dbraw/zinc/97/62/75/1034976275.db2.gz PQZCYJWVISDADH-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Fc1c(Nc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC001175427833 1034978523 /nfs/dbraw/zinc/97/85/23/1034978523.db2.gz AMYMLZSPEJNUDW-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM c1cc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)ccn1 ZINC001175430209 1034980120 /nfs/dbraw/zinc/98/01/20/1034980120.db2.gz KSUBOKQDESDITP-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Cc1nc2cc(C)c(Nc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001175432369 1034980603 /nfs/dbraw/zinc/98/06/03/1034980603.db2.gz CODGBLZJOVZURE-UHFFFAOYSA-N -1 3 322.397 3.837 20 0 DHADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1F ZINC001175432963 1034980735 /nfs/dbraw/zinc/98/07/35/1034980735.db2.gz OVCNPKHPBFTBCB-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM [O-]c1ccccc1-c1nc(CSC[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000600576253 1034998913 /nfs/dbraw/zinc/99/89/13/1034998913.db2.gz GNHZSRZWLBRCKZ-ZSBIGDGJSA-N -1 3 302.399 3.722 20 0 DHADHM COC(=O)C1(c2ccc(Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC001175920647 1035163554 /nfs/dbraw/zinc/16/35/54/1035163554.db2.gz CEVSVUNBXUVRDS-UHFFFAOYSA-N -1 3 317.772 3.994 20 0 DHADHM Cc1nnc(-c2cccc(Nc3cc([O-])c(F)cc3F)c2)o1 ZINC001175994411 1035177487 /nfs/dbraw/zinc/17/74/87/1035177487.db2.gz BXZICCOXJYLCIS-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM Cc1nnc(-c2cccc(Nc3ccc([O-])c(F)c3F)c2)o1 ZINC001175994840 1035177999 /nfs/dbraw/zinc/17/79/99/1035177999.db2.gz NGZJMZHBYJFZDN-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM Cc1cc(Nc2cccc(C(=O)N(C)C)c2[O-])c(F)cc1Cl ZINC001176526835 1035287186 /nfs/dbraw/zinc/28/71/86/1035287186.db2.gz ZPDKYEFXINYQDX-UHFFFAOYSA-N -1 3 322.767 3.939 20 0 DHADHM C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1cccc([O-])c1F ZINC000903265606 1035295897 /nfs/dbraw/zinc/29/58/97/1035295897.db2.gz GVMYFICECBHSNV-SIMVJXQJSA-N -1 3 305.324 3.654 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000568328743 1035301127 /nfs/dbraw/zinc/30/11/27/1035301127.db2.gz KQYCRZVVDLYUGW-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1Cl ZINC001176723510 1035318363 /nfs/dbraw/zinc/31/83/63/1035318363.db2.gz DHLMEAITXQCPPY-UHFFFAOYSA-N -1 3 322.817 3.600 20 0 DHADHM CCCCN(C(=O)c1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000436533715 1035338436 /nfs/dbraw/zinc/33/84/36/1035338436.db2.gz NCUBAVKFIVUERM-UHFFFAOYSA-N -1 3 319.401 3.696 20 0 DHADHM CCOc1cccc(F)c1CN[C@@H](CCCC(C)C)C(=O)[O-] ZINC000904037380 1035349140 /nfs/dbraw/zinc/34/91/40/1035349140.db2.gz YYDGFISRCVBTOU-HNNXBMFYSA-N -1 3 311.397 3.594 20 0 DHADHM O=C([O-])C[C@H](CNCc1nc2ccccc2o1)C1CCCCC1 ZINC000904026810 1035353426 /nfs/dbraw/zinc/35/34/26/1035353426.db2.gz LRVDQLWMTVUVTP-CQSZACIVSA-N -1 3 316.401 3.589 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)C1=NO[C@H](c2ccccc2)C1 ZINC001178804851 1035448420 /nfs/dbraw/zinc/44/84/20/1035448420.db2.gz OGVPVYAQSJBHIR-HNNXBMFYSA-N -1 3 316.744 3.502 20 0 DHADHM O=C(CC1CCCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485130674 1035477255 /nfs/dbraw/zinc/47/72/55/1035477255.db2.gz CTKJEBHTFSYQKA-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM O=C([N-]c1cc(C2CCCC2)no1)C(F)(F)C(F)(F)Cl ZINC001179774184 1035497223 /nfs/dbraw/zinc/49/72/23/1035497223.db2.gz IHJWPFNGVDRHPH-UHFFFAOYSA-N -1 3 314.666 3.738 20 0 DHADHM Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)c([O-])c1C ZINC001180156067 1035614394 /nfs/dbraw/zinc/61/43/94/1035614394.db2.gz XOLSGZMRCCNZOK-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CC2CCC2)o1 ZINC001193514090 1035657970 /nfs/dbraw/zinc/65/79/70/1035657970.db2.gz FHQYAZDLVIZCHJ-UHFFFAOYSA-N -1 3 305.399 3.797 20 0 DHADHM Cc1ccccc1O[C@@H](C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180524954 1035698151 /nfs/dbraw/zinc/69/81/51/1035698151.db2.gz VNQNNAWMWYZCGO-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM CCC1(CC)CN(Cc2ccc([O-])c(F)c2F)CCS1 ZINC001180623664 1035721744 /nfs/dbraw/zinc/72/17/44/1035721744.db2.gz RJOQOASWYIEQJW-UHFFFAOYSA-N -1 3 301.402 3.778 20 0 DHADHM CCCCCOC(=O)Nc1c([O-])cccc1Br ZINC001193768509 1035733619 /nfs/dbraw/zinc/73/36/19/1035733619.db2.gz LZSNKDUCDLDDED-UHFFFAOYSA-N -1 3 302.168 3.893 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124487139 1035825675 /nfs/dbraw/zinc/82/56/75/1035825675.db2.gz PHMHJRSEKACFQI-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM CN(CCCOCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001181153616 1035854202 /nfs/dbraw/zinc/85/42/02/1035854202.db2.gz FQQATDFMUNCNRF-UHFFFAOYSA-N -1 3 321.367 3.709 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c(F)c(C)c1 ZINC001194639497 1035976824 /nfs/dbraw/zinc/97/68/24/1035976824.db2.gz UKWSQPXFSBBLTD-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@H](Cc1ccccc1)c1ccccc1 ZINC001181823464 1036008076 /nfs/dbraw/zinc/00/80/76/1036008076.db2.gz NCBPOGOSPUXUCO-LJQANCHMSA-N -1 3 318.376 3.752 20 0 DHADHM CCC1(CC)C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001181882459 1036032246 /nfs/dbraw/zinc/03/22/46/1036032246.db2.gz IVQGWTVREVXSEG-JTQLQIEISA-N -1 3 312.207 3.920 20 0 DHADHM CC[C@H](C)COC(=O)Nc1cc(Br)ccc1[O-] ZINC001194800583 1036035986 /nfs/dbraw/zinc/03/59/86/1036035986.db2.gz LFAASRZOUPRILL-QMMMGPOBSA-N -1 3 302.168 3.749 20 0 DHADHM O=C(Nc1cncc([O-])c1)C1c2ccccc2-c2ccccc21 ZINC001181910293 1036045899 /nfs/dbraw/zinc/04/58/99/1036045899.db2.gz JRIYJRAWMQZUGT-UHFFFAOYSA-N -1 3 302.333 3.538 20 0 DHADHM O=c1cc(C=Cc2ccc(Cl)cc2)nc(-c2ccncc2)[n-]1 ZINC000485987200 1036071687 /nfs/dbraw/zinc/07/16/87/1036071687.db2.gz RUNBIWUWNKTPOJ-UTCJRWHESA-N -1 3 309.756 3.656 20 0 DHADHM O=c1cc(C=Cc2ccc(Cl)cc2)nc(-c2ccncc2)[n-]1 ZINC000485987204 1036072716 /nfs/dbraw/zinc/07/27/16/1036072716.db2.gz RUNBIWUWNKTPOJ-ZZXKWVIFSA-N -1 3 309.756 3.656 20 0 DHADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1C ZINC000486005550 1036087980 /nfs/dbraw/zinc/08/79/80/1036087980.db2.gz MUOVCVQHNDNLBO-WAYWQWQTSA-N -1 3 303.365 3.619 20 0 DHADHM Cc1ccccc1-n1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000486076466 1036112243 /nfs/dbraw/zinc/11/22/43/1036112243.db2.gz OAYGBIGDLRADNC-HJWRWDBZSA-N -1 3 318.380 3.724 20 0 DHADHM Cc1cc(C)cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486106714 1036131630 /nfs/dbraw/zinc/13/16/30/1036131630.db2.gz VXPBNIPDZHIPBF-ONEGZZNKSA-N -1 3 303.365 3.619 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Oc2ccccc2C(F)(F)F)n1 ZINC001195167703 1036167088 /nfs/dbraw/zinc/16/70/88/1036167088.db2.gz FJVIOVZCMORAPU-UHFFFAOYSA-N -1 3 312.247 3.725 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC001195268640 1036198239 /nfs/dbraw/zinc/19/82/39/1036198239.db2.gz WYRABSYZQDCQKJ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1c([O-])cccc1OC ZINC000907408877 1036206770 /nfs/dbraw/zinc/20/67/70/1036206770.db2.gz BAMWPOXNMKCMFZ-UHFFFAOYSA-N -1 3 319.426 3.557 20 0 DHADHM Cc1ccccc1CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646582440 1036237178 /nfs/dbraw/zinc/23/71/78/1036237178.db2.gz MKJAAKUUXAQXNG-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C ZINC000229339549 1036262805 /nfs/dbraw/zinc/26/28/05/1036262805.db2.gz YKPCWCJFDJRKIT-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1cncc([O-])c1 ZINC001182686470 1036425543 /nfs/dbraw/zinc/42/55/43/1036425543.db2.gz OMOBRGLMEOGERG-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM CC(C)c1noc([C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000914895494 1036434950 /nfs/dbraw/zinc/43/49/50/1036434950.db2.gz GJYXYCLIASOZCB-ZCFIWIBFSA-N -1 3 318.160 3.746 20 0 DHADHM Cc1cc(Cl)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C ZINC000908547583 1036437973 /nfs/dbraw/zinc/43/79/73/1036437973.db2.gz LZHYZDQZBXBOAY-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM COC(=O)c1ccc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000914891914 1036441841 /nfs/dbraw/zinc/44/18/41/1036441841.db2.gz RXWKQMBZSXOARF-MRVPVSSYSA-N -1 3 319.338 3.527 20 0 DHADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc([O-])c(F)c1)CC3 ZINC001182781294 1036457758 /nfs/dbraw/zinc/45/77/58/1036457758.db2.gz LEQOGFBPCQGHAI-UHFFFAOYSA-N -1 3 310.372 3.879 20 0 DHADHM O=C([N-]CCCSCCCCc1ccccc1)C(F)(F)F ZINC000774542592 1036457811 /nfs/dbraw/zinc/45/78/11/1036457811.db2.gz WJCAYQABOFBEPE-UHFFFAOYSA-N -1 3 319.392 3.811 20 0 DHADHM [O-]c1cccc(O[C@@H]2Cc3ccc(Br)cc3C2)c1F ZINC001233867911 1036518430 /nfs/dbraw/zinc/51/84/30/1036518430.db2.gz KVMDAZSVZYJJNC-GFCCVEGCSA-N -1 3 323.161 3.840 20 0 DHADHM [O-]c1ccc(NC(=S)NCc2ccc(F)cc2)cc1Cl ZINC001196490102 1036557876 /nfs/dbraw/zinc/55/78/76/1036557876.db2.gz UBHINBCVJOGJHK-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CCC(C)(C)c1ccc(CN2Cc3nc(C)[n-]c(=O)c3C2)cc1 ZINC001196639108 1036585425 /nfs/dbraw/zinc/58/54/25/1036585425.db2.gz LONGICRRUPQHBZ-UHFFFAOYSA-N -1 3 311.429 3.694 20 0 DHADHM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1nc2ccccc2c(=O)[n-]1 ZINC000750530918 1036637961 /nfs/dbraw/zinc/63/79/61/1036637961.db2.gz UFLXNZMFBRXSEN-VIFPVBQESA-N -1 3 324.311 3.957 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H](F)C2)c([O-])c1 ZINC001183763047 1036664530 /nfs/dbraw/zinc/66/45/30/1036664530.db2.gz HIXGHHNUQGKDGR-QWHCGFSZSA-N -1 3 309.381 3.582 20 0 DHADHM Cc1nc(C)c(Cc2nc(C3CCCCCCC3)no2)c(=O)[n-]1 ZINC000762364861 1036724332 /nfs/dbraw/zinc/72/43/32/1036724332.db2.gz ZFXQAHNXKLIDFW-UHFFFAOYSA-N -1 3 316.405 3.601 20 0 DHADHM O=C([N-][C@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1 ZINC000762386726 1036738031 /nfs/dbraw/zinc/73/80/31/1036738031.db2.gz PQFJXRJOYWTVDF-ZDUSSCGKSA-N -1 3 323.726 3.682 20 0 DHADHM C/C=C(/C=C/C(=O)NCc1ccc([O-])c(Br)c1)CC ZINC000492230404 1036788596 /nfs/dbraw/zinc/78/85/96/1036788596.db2.gz CKBLLNPKENQAFZ-OEPKPEFXSA-N -1 3 324.218 3.683 20 0 DHADHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1C(=O)N(C)C ZINC000152020978 1036799847 /nfs/dbraw/zinc/79/98/47/1036799847.db2.gz LDWCIHSNDOEANR-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM O=C(Cc1cccc(-c2ccccc2)c1)Nc1cncc([O-])c1 ZINC001184519134 1036862715 /nfs/dbraw/zinc/86/27/15/1036862715.db2.gz PLXPJXFPMUNNJE-UHFFFAOYSA-N -1 3 304.349 3.635 20 0 DHADHM Cc1nc(NC(=O)Nc2c(C)cccc2C(C)(C)C)cc(=O)[n-]1 ZINC001184573788 1036888854 /nfs/dbraw/zinc/88/88/54/1036888854.db2.gz MTDMTCQEJLCDIJ-UHFFFAOYSA-N -1 3 314.389 3.741 20 0 DHADHM CCC(=O)Oc1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001198097348 1036944250 /nfs/dbraw/zinc/94/42/50/1036944250.db2.gz WKWLNTKPSJIMJH-UHFFFAOYSA-N -1 3 319.744 3.613 20 0 DHADHM O=C(C=C1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC000762816800 1036953348 /nfs/dbraw/zinc/95/33/48/1036953348.db2.gz BMTRKCPTINZATP-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM CCOc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1CC ZINC001198194891 1036978046 /nfs/dbraw/zinc/97/80/46/1036978046.db2.gz MJGODVKMUZZRQU-UHFFFAOYSA-N -1 3 303.333 3.745 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccc(F)c(F)c1 ZINC001185060739 1037003656 /nfs/dbraw/zinc/00/36/56/1037003656.db2.gz QUDXUDBZXLKMLX-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM COc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001205149181 1037075573 /nfs/dbraw/zinc/07/55/73/1037075573.db2.gz LVNMZUYWIKFOBZ-UHFFFAOYSA-N -1 3 300.749 3.504 20 0 DHADHM COc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001205149181 1037075594 /nfs/dbraw/zinc/07/55/94/1037075594.db2.gz LVNMZUYWIKFOBZ-UHFFFAOYSA-N -1 3 300.749 3.504 20 0 DHADHM O=C(Nc1ccc([O-])c(F)c1)Nc1ccc(F)c(F)c1F ZINC001185330218 1037113549 /nfs/dbraw/zinc/11/35/49/1037113549.db2.gz PYQGDPWZHATCIQ-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM O=C(CCCOc1cccc2ccccc21)[N-]OC1CCCC1 ZINC000774868767 1037126910 /nfs/dbraw/zinc/12/69/10/1037126910.db2.gz YTHDTVVRKHIFOJ-UHFFFAOYSA-N -1 3 313.397 3.989 20 0 DHADHM O=S(=O)([N-]c1ccnc(C2CC2)c1)c1ccc2occc2c1 ZINC001198829005 1037134025 /nfs/dbraw/zinc/13/40/25/1037134025.db2.gz NDHVVXHQVNIHOI-UHFFFAOYSA-N -1 3 314.366 3.506 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)c(C)c2)c(C)c1 ZINC001198941878 1037168623 /nfs/dbraw/zinc/16/86/23/1037168623.db2.gz LJANHVWAMVBMTB-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC001198949962 1037174796 /nfs/dbraw/zinc/17/47/96/1037174796.db2.gz BDCROSILACFZLW-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)c(C)c1 ZINC001185828961 1037244804 /nfs/dbraw/zinc/24/48/04/1037244804.db2.gz NPVMFPABQLRNKG-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1ccc([O-])c(CNCc2nc3cc(Cl)ccc3s2)n1 ZINC001199770341 1037335691 /nfs/dbraw/zinc/33/56/91/1037335691.db2.gz ZGKBEYPQYVVHRV-UHFFFAOYSA-N -1 3 319.817 3.649 20 0 DHADHM [O-]c1cnc(NC(=S)Nc2ccc(F)cc2F)c(Cl)c1 ZINC001200921630 1037463132 /nfs/dbraw/zinc/46/31/32/1037463132.db2.gz HHLYHHKVFQARKQ-UHFFFAOYSA-N -1 3 315.732 3.528 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccccc2C(F)(F)F)n1 ZINC000763208276 1037484899 /nfs/dbraw/zinc/48/48/99/1037484899.db2.gz KIOSNQZECFVRAY-UHFFFAOYSA-N -1 3 314.332 3.943 20 0 DHADHM O=S(=O)([N-]C1(c2ccccc2)CCCCCC1)c1ccco1 ZINC001186867656 1037524271 /nfs/dbraw/zinc/52/42/71/1037524271.db2.gz QMGJXVMWTBTKIE-UHFFFAOYSA-N -1 3 319.426 3.808 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCCc1ccccc1F ZINC000763251143 1037531999 /nfs/dbraw/zinc/53/19/99/1037531999.db2.gz HBIURIKIHUFVKL-UHFFFAOYSA-N -1 3 320.335 3.779 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cc(F)cc(F)c1 ZINC001187544157 1037653299 /nfs/dbraw/zinc/65/32/99/1037653299.db2.gz NEIMMBZSHSVZLZ-UHFFFAOYSA-N -1 3 307.178 3.616 20 0 DHADHM CSc1ccc(NC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001188082722 1037808567 /nfs/dbraw/zinc/80/85/67/1037808567.db2.gz RHVSDQQUCMRBLW-UHFFFAOYSA-N -1 3 309.778 3.807 20 0 DHADHM O=c1[n-]nc(SCCC2CCCC2)n1CCc1ccccc1 ZINC001188154709 1037828388 /nfs/dbraw/zinc/82/83/88/1037828388.db2.gz NCKGFQOMSPOXGD-UHFFFAOYSA-N -1 3 317.458 3.899 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC001188206255 1037849214 /nfs/dbraw/zinc/84/92/14/1037849214.db2.gz GOQGFTGEKWCZGB-UHFFFAOYSA-N -1 3 320.317 3.678 20 0 DHADHM [O-]c1cc(F)cc(CNc2c(F)cccc2N2CCCC2)c1 ZINC000186402392 1037901484 /nfs/dbraw/zinc/90/14/84/1037901484.db2.gz NAKKKCAUMRYQSI-UHFFFAOYSA-N -1 3 304.340 3.883 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3c(C)oc4ccccc43)n[n-]2)o1 ZINC000186439876 1037905527 /nfs/dbraw/zinc/90/55/27/1037905527.db2.gz HDSTURXDILFTEX-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM CCOC(=O)Nc1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001188648048 1037943467 /nfs/dbraw/zinc/94/34/67/1037943467.db2.gz AFTYYVMIONDVTK-UHFFFAOYSA-N -1 3 314.341 3.521 20 0 DHADHM COc1ccc([C@H](NC(=O)c2c(C)cccc2[O-])C2CC2)cc1 ZINC001188660324 1037946167 /nfs/dbraw/zinc/94/61/67/1037946167.db2.gz YYKMXULTRAXIGA-GOSISDBHSA-N -1 3 311.381 3.590 20 0 DHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCCCCC1 ZINC000163706050 1037955039 /nfs/dbraw/zinc/95/50/39/1037955039.db2.gz PYHIPYZOBVVGHK-UHFFFAOYSA-N -1 3 308.397 3.786 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154180347 1037973155 /nfs/dbraw/zinc/97/31/55/1037973155.db2.gz PZMKFRZHYIRRPK-UHFFFAOYSA-N -1 3 321.720 3.674 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccccc2Cl)c1[O-] ZINC001202063381 1037997651 /nfs/dbraw/zinc/99/76/51/1037997651.db2.gz XOVJLHYWWOWJKE-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM CSc1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000916859940 1038002933 /nfs/dbraw/zinc/00/29/33/1038002933.db2.gz JSNSAAGJIXCBAJ-UHFFFAOYSA-N -1 3 314.366 3.919 20 0 DHADHM CSc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000916859940 1038002956 /nfs/dbraw/zinc/00/29/56/1038002956.db2.gz JSNSAAGJIXCBAJ-UHFFFAOYSA-N -1 3 314.366 3.919 20 0 DHADHM Cc1cccc(C)c1NC(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001202198753 1038103840 /nfs/dbraw/zinc/10/38/40/1038103840.db2.gz LNBJYXLPECKDQY-UHFFFAOYSA-N -1 3 308.341 3.997 20 0 DHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189749367 1038204435 /nfs/dbraw/zinc/20/44/35/1038204435.db2.gz SGHXSSNNWIXKHN-UWVGGRQHSA-N -1 3 317.307 3.694 20 0 DHADHM Cc1ccc(CC/N=C/c2cc(Br)ccc2[O-])o1 ZINC000032070744 1038351283 /nfs/dbraw/zinc/35/12/83/1038351283.db2.gz DHOUHCVJCDDGRM-CXUHLZMHSA-N -1 3 308.175 3.718 20 0 DHADHM CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000045296207 1038368324 /nfs/dbraw/zinc/36/83/24/1038368324.db2.gz LTLXLZQGMHZWJU-UHFFFAOYSA-N -1 3 310.246 3.852 20 0 DHADHM Cc1c(C(=O)Nc2cc([O-])cc(Cl)c2)cnn1C(C)(C)C ZINC001190827330 1038392113 /nfs/dbraw/zinc/39/21/13/1038392113.db2.gz CQDUITLBUIFBAQ-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CCCCN(Cc1ccccc1)C(=O)c1ccc(=O)[n-]c1Cl ZINC001190908121 1038406424 /nfs/dbraw/zinc/40/64/24/1038406424.db2.gz JYSDNEWLDBZGNI-UHFFFAOYSA-N -1 3 318.804 3.883 20 0 DHADHM CC(=O)Nc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1C ZINC001191451364 1038499245 /nfs/dbraw/zinc/49/92/45/1038499245.db2.gz FPMVHSBUFIVMOS-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(F)c([O-])c1 ZINC001192176612 1038605720 /nfs/dbraw/zinc/60/57/20/1038605720.db2.gz PFFGGYFPNRCQGP-UHFFFAOYSA-N -1 3 312.247 3.777 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001192325948 1038630521 /nfs/dbraw/zinc/63/05/21/1038630521.db2.gz KIGRFXWXQALQNK-OAHLLOKOSA-N -1 3 324.424 3.714 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000591797399 1038990543 /nfs/dbraw/zinc/99/05/43/1038990543.db2.gz YWDVCUBRGHASHT-UHFFFAOYSA-N -1 3 307.390 3.887 20 0 DHADHM [O-]c1cccnc1CN1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000573645643 1039027695 /nfs/dbraw/zinc/02/76/95/1039027695.db2.gz RUGCZDSCTHQUDM-MRXNPFEDSA-N -1 3 306.768 3.511 20 0 DHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1F ZINC000669472750 1039410318 /nfs/dbraw/zinc/41/03/18/1039410318.db2.gz RQHSQAPUPREIMS-ZDUSSCGKSA-N -1 3 323.389 3.592 20 0 DHADHM O=C([O-])C[C@@H](NCc1cnc(C2CCC2)s1)c1cccs1 ZINC000669472613 1039413467 /nfs/dbraw/zinc/41/34/67/1039413467.db2.gz FDIKNJOUYONPPP-GFCCVEGCSA-N -1 3 322.455 3.778 20 0 DHADHM C[C@H]1CC(C)(C)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000574406739 1039638083 /nfs/dbraw/zinc/63/80/83/1039638083.db2.gz UEBGAYBCQFYGNH-NSHDSACASA-N -1 3 311.809 3.537 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cccs1)C1CC1 ZINC000606631619 1039930658 /nfs/dbraw/zinc/93/06/58/1039930658.db2.gz HWNUMYIPEUYCBQ-OAHLLOKOSA-N -1 3 320.389 3.543 20 0 DHADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000606665407 1039946099 /nfs/dbraw/zinc/94/60/99/1039946099.db2.gz ZQYPAMQTXRUVOP-OAHLLOKOSA-N -1 3 308.397 3.689 20 0 DHADHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669058 1039946646 /nfs/dbraw/zinc/94/66/46/1039946646.db2.gz DOSORPYCVTXNKY-HOCLYGCPSA-N -1 3 322.424 3.935 20 0 DHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000606665406 1039947442 /nfs/dbraw/zinc/94/74/42/1039947442.db2.gz ZQYPAMQTXRUVOP-HNNXBMFYSA-N -1 3 308.397 3.689 20 0 DHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H](C)C1 ZINC000606910195 1040031545 /nfs/dbraw/zinc/03/15/45/1040031545.db2.gz WMRGYCSQDVGLAE-IAZYJMLFSA-N -1 3 319.829 3.582 20 0 DHADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@@H]1CCCCC1(C)C ZINC000596020297 1040294818 /nfs/dbraw/zinc/29/48/18/1040294818.db2.gz HKUGLZBRKMDHRV-NSHDSACASA-N -1 3 324.446 3.586 20 0 DHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608004375 1040349232 /nfs/dbraw/zinc/34/92/32/1040349232.db2.gz HKNUWERKKQZFIO-LLVKDONJSA-N -1 3 323.389 3.846 20 0 DHADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000005756943 181280617 /nfs/dbraw/zinc/28/06/17/181280617.db2.gz AQMAAKCEARPFJQ-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000417584861 335000356 /nfs/dbraw/zinc/00/03/56/335000356.db2.gz OIZFNXDVENQLFX-DFKQUSKVSA-N -1 3 323.820 3.692 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c(C)s1 ZINC000230406614 335001611 /nfs/dbraw/zinc/00/16/11/335001611.db2.gz UXJQLAGHCXCANR-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CC12CCCC2 ZINC000442919958 338439425 /nfs/dbraw/zinc/43/94/25/338439425.db2.gz GSSQKCUMSQJWCW-JTQLQIEISA-N -1 3 315.291 3.810 20 0 DHADHM CCc1cccc(Cl)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417624830 335015552 /nfs/dbraw/zinc/01/55/52/335015552.db2.gz LDZIWOCXFWNNBQ-JTQLQIEISA-N -1 3 323.742 3.645 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC000417628328 335016603 /nfs/dbraw/zinc/01/66/03/335016603.db2.gz WAABNCCNZZAZCW-OCCSQVGLSA-N -1 3 315.344 3.513 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(C3CC3)cc2)c2ccccc21 ZINC000417629968 335018884 /nfs/dbraw/zinc/01/88/84/335018884.db2.gz QOFFEVMIMQTGHN-MOPGFXCFSA-N -1 3 307.393 3.967 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000417635783 335021338 /nfs/dbraw/zinc/02/13/38/335021338.db2.gz WVXFYNVLOAOPDQ-CHWSQXEVSA-N -1 3 324.490 3.954 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000023531453 182363413 /nfs/dbraw/zinc/36/34/13/182363413.db2.gz VIARZJUDHLWWLW-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM Cc1ccc(C[C@H](NCc2ccccc2Cl)C(=O)[O-])cc1C ZINC000417647100 335029923 /nfs/dbraw/zinc/02/99/23/335029923.db2.gz FBLYSVWOBPLVNC-KRWDZBQOSA-N -1 3 317.816 3.742 20 0 DHADHM O=C(C[C@H]1C=CCC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442925840 338439619 /nfs/dbraw/zinc/43/96/19/338439619.db2.gz NVGLMJPCKKDTCS-VIFPVBQESA-N -1 3 301.264 3.586 20 0 DHADHM CC[C@@H](CCNCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000417669748 335035836 /nfs/dbraw/zinc/03/58/36/335035836.db2.gz MUCUFQYSLDCQOW-NSHDSACASA-N -1 3 323.339 3.815 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2csc(C(C)C)n2)c(F)c1 ZINC000272237871 130012268 /nfs/dbraw/zinc/01/22/68/130012268.db2.gz XZJDSDYPZCSBLZ-UHFFFAOYSA-N -1 3 324.352 4.000 20 0 DHADHM COc1ccc(CN(C(C)C)C2CC2)c(Br)c1[O-] ZINC000273694750 130155152 /nfs/dbraw/zinc/15/51/52/130155152.db2.gz CDKJTKPPFHAZRY-UHFFFAOYSA-N -1 3 314.223 3.536 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1F ZINC000274341891 130227741 /nfs/dbraw/zinc/22/77/41/130227741.db2.gz DWCMPPFXWCPKKB-LLVKDONJSA-N -1 3 315.344 3.694 20 0 DHADHM COc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1F ZINC000274416737 130233000 /nfs/dbraw/zinc/23/30/00/130233000.db2.gz WYAUNUJCMHBILC-LLVKDONJSA-N -1 3 315.344 3.694 20 0 DHADHM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1F ZINC000277148441 130585006 /nfs/dbraw/zinc/58/50/06/130585006.db2.gz CLZHIVLGEBHWFA-DYVFJYSZSA-N -1 3 301.361 3.686 20 0 DHADHM O=c1cc(CN2CCC3(CCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000285266307 131153047 /nfs/dbraw/zinc/15/30/47/131153047.db2.gz ZYXWYKYHIICBAR-UHFFFAOYSA-N -1 3 319.788 3.528 20 0 DHADHM CC[C@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(OC)c1 ZINC000285398136 131164418 /nfs/dbraw/zinc/16/44/18/131164418.db2.gz FAFWTOJUMDUJBH-INIZCTEOSA-N -1 3 319.376 3.789 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000340244025 131256873 /nfs/dbraw/zinc/25/68/73/131256873.db2.gz GGLDVTGSCPUBHY-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CSCc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000340289690 131331585 /nfs/dbraw/zinc/33/15/85/131331585.db2.gz RTPDUNFLOMNMQI-UHFFFAOYSA-N -1 3 324.409 3.587 20 0 DHADHM CSCc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000340289690 131331587 /nfs/dbraw/zinc/33/15/87/131331587.db2.gz RTPDUNFLOMNMQI-UHFFFAOYSA-N -1 3 324.409 3.587 20 0 DHADHM CC[C@@H](CSC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000297383804 132013625 /nfs/dbraw/zinc/01/36/25/132013625.db2.gz DOZHJRCJWNOACG-HNNXBMFYSA-N -1 3 317.454 3.736 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1cc(C)n(C2CCCCC2)n1 ZINC000297500430 132019249 /nfs/dbraw/zinc/01/92/49/132019249.db2.gz VAAKSSPTESNNRI-GFCCVEGCSA-N -1 3 308.426 3.796 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC000297500430 132019251 /nfs/dbraw/zinc/01/92/51/132019251.db2.gz VAAKSSPTESNNRI-GFCCVEGCSA-N -1 3 308.426 3.796 20 0 DHADHM Cc1cc(C)cc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)c1 ZINC000298981829 132085620 /nfs/dbraw/zinc/08/56/20/132085620.db2.gz PLUFYDPCJAVDIV-LBPRGKRZSA-N -1 3 313.426 3.865 20 0 DHADHM Fc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c(F)c1 ZINC000340751736 132177243 /nfs/dbraw/zinc/17/72/43/132177243.db2.gz XQDWOUVBQXALTF-UHFFFAOYSA-N -1 3 314.251 3.665 20 0 DHADHM Fc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c(F)c1 ZINC000340751736 132177244 /nfs/dbraw/zinc/17/72/44/132177244.db2.gz XQDWOUVBQXALTF-UHFFFAOYSA-N -1 3 314.251 3.665 20 0 DHADHM C[C@H](CC(C)(C)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000417709563 335066866 /nfs/dbraw/zinc/06/68/66/335066866.db2.gz SYLFEXYKOHVKCT-SECBINFHSA-N -1 3 304.217 3.972 20 0 DHADHM CCC[C@H](C)c1cc([N-]C(=O)c2ocnc2C(F)(F)F)n[nH]1 ZINC000636059801 430452049 /nfs/dbraw/zinc/45/20/49/430452049.db2.gz IPJQLOGVUWISRF-ZETCQYMHSA-N -1 3 316.283 3.572 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000170262997 332848683 /nfs/dbraw/zinc/84/86/83/332848683.db2.gz MGIYIILDNKANQE-UHFFFAOYSA-N -1 3 305.761 3.762 20 0 DHADHM CCc1cc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)ccc1[O-] ZINC000583924890 331471994 /nfs/dbraw/zinc/47/19/94/331471994.db2.gz ZFTGAQZOAQJBIQ-INIZCTEOSA-N -1 3 322.408 3.584 20 0 DHADHM COc1cccc(C(=O)N(Cc2ccco2)C2CCCC2)c1[O-] ZINC000124193859 331513151 /nfs/dbraw/zinc/51/31/51/331513151.db2.gz DVTGEIBIZGPSQP-UHFFFAOYSA-N -1 3 315.369 3.579 20 0 DHADHM CC(C)Cc1csc2[n-]c(-c3ccc(Cl)cn3)nc(=O)c12 ZINC000086963653 331661722 /nfs/dbraw/zinc/66/17/22/331661722.db2.gz XSKGKDDYDMPRPX-UHFFFAOYSA-N -1 3 319.817 3.899 20 0 DHADHM Cc1cccc(C(=O)N2CCSC[C@H]2c2ccccc2)c1[O-] ZINC000115233287 331696791 /nfs/dbraw/zinc/69/67/91/331696791.db2.gz BORAZHSCPDUIEN-INIZCTEOSA-N -1 3 313.422 3.631 20 0 DHADHM CCOc1ccc(CNCc2cc([O-])cc(F)c2)cc1Cl ZINC000556409778 331701322 /nfs/dbraw/zinc/70/13/22/331701322.db2.gz DZLMHJDYTLRJEF-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2nc(C3CC3)oc2C)s1 ZINC000556801337 331733816 /nfs/dbraw/zinc/73/38/16/331733816.db2.gz SMKSRFCRKJGTBU-UHFFFAOYSA-N -1 3 320.418 3.868 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000087679102 331771029 /nfs/dbraw/zinc/77/10/29/331771029.db2.gz FIBGPRZCLULNDJ-RYUDHWBXSA-N -1 3 312.479 3.810 20 0 DHADHM CCCCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000557440453 331790673 /nfs/dbraw/zinc/79/06/73/331790673.db2.gz PSBGYHLPTRYVLV-UHFFFAOYSA-N -1 3 311.385 3.655 20 0 DHADHM O=C([O-])C1(CNCc2csc(-c3ccsc3)n2)CCCC1 ZINC000559159868 331984156 /nfs/dbraw/zinc/98/41/56/331984156.db2.gz HBIFLBDFGOCHJM-UHFFFAOYSA-N -1 3 322.455 3.606 20 0 DHADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cccc(F)c1F ZINC000518285435 332006686 /nfs/dbraw/zinc/00/66/86/332006686.db2.gz LUSXALQAJBHQSN-HNNXBMFYSA-N -1 3 319.351 3.531 20 0 DHADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1ccccc1 ZINC000518323550 332013515 /nfs/dbraw/zinc/01/35/15/332013515.db2.gz YUSMJVHVARUSAD-LBPRGKRZSA-N -1 3 324.359 3.743 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000569424397 332080216 /nfs/dbraw/zinc/08/02/16/332080216.db2.gz AMDUZWDDLDDYGN-HNNXBMFYSA-N -1 3 311.429 3.605 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(-c2ccccn2)c1)c1ccccc1 ZINC000426776009 332093686 /nfs/dbraw/zinc/09/36/86/332093686.db2.gz DUNLTYYIHSTDGU-LJQANCHMSA-N -1 3 318.376 3.664 20 0 DHADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000518735620 332139092 /nfs/dbraw/zinc/13/90/92/332139092.db2.gz OXTKEEFWTMSLQY-UHFFFAOYSA-N -1 3 313.397 3.772 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000426792625 332154181 /nfs/dbraw/zinc/15/41/81/332154181.db2.gz NGZFUKGGNKIVKA-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM CCC[C@H](C)C[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426794045 332154412 /nfs/dbraw/zinc/15/44/12/332154412.db2.gz QCNGWMCWTUAWDF-GWCFXTLKSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1ccc([C@@H](NCc2cccc3[nH]ccc32)C(=O)[O-])cc1 ZINC000426802855 332155268 /nfs/dbraw/zinc/15/52/68/332155268.db2.gz YGIAMEYVZOXVQM-GOSISDBHSA-N -1 3 308.381 3.646 20 0 DHADHM CCCSC[C@H](NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000426817268 332157327 /nfs/dbraw/zinc/15/73/27/332157327.db2.gz BEUNPEQSPRZLTM-LBPRGKRZSA-N -1 3 322.257 3.679 20 0 DHADHM CCSc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426817234 332157389 /nfs/dbraw/zinc/15/73/89/332157389.db2.gz OETBOAFVYBKNLT-MRXNPFEDSA-N -1 3 319.401 3.853 20 0 DHADHM CSCc1cc(C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000128681278 332947250 /nfs/dbraw/zinc/94/72/50/332947250.db2.gz HAAIDVWWTBXYQM-UHFFFAOYSA-N -1 3 309.337 3.786 20 0 DHADHM CC(C)(C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000531015417 332210908 /nfs/dbraw/zinc/21/09/08/332210908.db2.gz DXWLPHUYIYZRIK-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM COc1ccc(C2(C(=O)Nc3cccc([O-])c3F)CCC2)cc1 ZINC000536463443 332249781 /nfs/dbraw/zinc/24/97/81/332249781.db2.gz PVXJCCLIEOXUMG-UHFFFAOYSA-N -1 3 315.344 3.600 20 0 DHADHM Cc1ccc(NC(=O)C2(Oc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000559543427 332270181 /nfs/dbraw/zinc/27/01/81/332270181.db2.gz HOPRSWMRLWFRIM-UHFFFAOYSA-N -1 3 317.772 3.904 20 0 DHADHM COc1ccc2cc([C@H](C)C(=O)Nc3ccncc3[O-])ccc2c1 ZINC000109890872 332285250 /nfs/dbraw/zinc/28/52/50/332285250.db2.gz FGQGAKGYSXDEGJ-LBPRGKRZSA-N -1 3 322.364 3.691 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccccc2OC(C)C)c1[O-] ZINC000569615659 332312985 /nfs/dbraw/zinc/31/29/85/332312985.db2.gz SPCDAYZZGKCOCL-UHFFFAOYSA-N -1 3 313.353 3.634 20 0 DHADHM CC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1cccs1 ZINC000049530731 332315693 /nfs/dbraw/zinc/31/56/93/332315693.db2.gz QZYOPPMEZMTKCN-VIFPVBQESA-N -1 3 305.428 3.699 20 0 DHADHM CC[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccs1 ZINC000049530732 332315702 /nfs/dbraw/zinc/31/57/02/332315702.db2.gz QZYOPPMEZMTKCN-SECBINFHSA-N -1 3 305.428 3.699 20 0 DHADHM CCCCOc1ccc(C(=O)Nc2ccccc2[O-])cc1OC ZINC000016482999 332354785 /nfs/dbraw/zinc/35/47/85/332354785.db2.gz GJFVJTVFFYBPHB-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM O=C(Cc1coc2ccccc12)Nc1ccc(Cl)cc1[O-] ZINC000560613216 332368500 /nfs/dbraw/zinc/36/85/00/332368500.db2.gz LOMMVIKYAYRNPL-UHFFFAOYSA-N -1 3 301.729 3.973 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000566359404 332376933 /nfs/dbraw/zinc/37/69/33/332376933.db2.gz VIOLQZRIIDZOCY-AWEZNQCLSA-N -1 3 317.410 3.792 20 0 DHADHM O=C(NCCCCc1ccc(Cl)s1)c1cccc([O-])c1 ZINC000560747781 332383258 /nfs/dbraw/zinc/38/32/58/332383258.db2.gz DJVKJEGQLZJNSZ-UHFFFAOYSA-N -1 3 309.818 3.860 20 0 DHADHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)cc(OC)c1C ZINC000560822199 332388544 /nfs/dbraw/zinc/38/85/44/332388544.db2.gz DFJKITCFACYIQX-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1[O-] ZINC000561105237 332411625 /nfs/dbraw/zinc/41/16/25/332411625.db2.gz DGRWGTWAQPYQEN-SFHVURJKSA-N -1 3 309.409 3.802 20 0 DHADHM O=C(c1ccc(OC(F)F)cc1)N1CCCc2cccc([O-])c21 ZINC000170873013 332638346 /nfs/dbraw/zinc/63/83/46/332638346.db2.gz VRRQNKAZSKBQRW-UHFFFAOYSA-N -1 3 319.307 3.587 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1[O-] ZINC000171227273 332642767 /nfs/dbraw/zinc/64/27/67/332642767.db2.gz HGGXPNXIGFAFIX-SFHVURJKSA-N -1 3 318.376 3.615 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1 ZINC000460410554 333080952 /nfs/dbraw/zinc/08/09/52/333080952.db2.gz GTDORZRGSUBACR-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC(C)(O)CC2)c([O-])c(C(C)C)c1 ZINC000177381302 333128375 /nfs/dbraw/zinc/12/83/75/333128375.db2.gz VFNZKWQGWKCQQK-UHFFFAOYSA-N -1 3 319.445 3.626 20 0 DHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(O)c2)c(C)c1C ZINC000216133101 333148894 /nfs/dbraw/zinc/14/88/94/333148894.db2.gz HCFRPWHHRJIUKV-UHFFFAOYSA-N -1 3 319.426 3.735 20 0 DHADHM CCOc1ccc(OCC)c(NCc2cc([O-])cc(F)c2)c1 ZINC000318646324 333197494 /nfs/dbraw/zinc/19/74/94/333197494.db2.gz SBBQSJFJCUYALO-UHFFFAOYSA-N -1 3 305.349 3.941 20 0 DHADHM COC(=O)c1cc(C(=O)Nc2ccccc2CCC(C)C)c[n-]1 ZINC000582099938 333218875 /nfs/dbraw/zinc/21/88/75/333218875.db2.gz ILANEIWRFAMRMM-UHFFFAOYSA-N -1 3 314.385 3.642 20 0 DHADHM CN(Cc1ccccc1F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468558568 335131285 /nfs/dbraw/zinc/13/12/85/335131285.db2.gz CRSMZPPEDAROTJ-UHFFFAOYSA-N -1 3 319.351 3.652 20 0 DHADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)COC(F)F)on2)cc1 ZINC000497754626 333287433 /nfs/dbraw/zinc/28/74/33/333287433.db2.gz ZKVPYPMXJGIIGC-UHFFFAOYSA-N -1 3 324.327 3.817 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000531372795 333346950 /nfs/dbraw/zinc/34/69/50/333346950.db2.gz IMFWBWVSEOSAPT-CHWSQXEVSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(c1ccc(Cl)cc1F)N1CCCc2cccc([O-])c21 ZINC000063063812 333390001 /nfs/dbraw/zinc/39/00/01/333390001.db2.gz RNRURUKBJXLVPJ-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(C)cc3[O-])c21 ZINC000187291441 333429141 /nfs/dbraw/zinc/42/91/41/333429141.db2.gz SWWIQPAISXGBQS-UHFFFAOYSA-N -1 3 324.380 3.762 20 0 DHADHM C[C@H]1CC[C@](CNCc2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000426640720 333510884 /nfs/dbraw/zinc/51/08/84/333510884.db2.gz UJUVZMUSDQLHIA-MEDUHNTESA-N -1 3 313.800 3.850 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000534312041 333575365 /nfs/dbraw/zinc/57/53/65/333575365.db2.gz QWBIKDGEMADBLK-AWEZNQCLSA-N -1 3 315.344 3.678 20 0 DHADHM CCCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)CCC ZINC000563372886 333595523 /nfs/dbraw/zinc/59/55/23/333595523.db2.gz APSFXTNTQJSZGX-ZDUSSCGKSA-N -1 3 319.449 3.881 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000410893755 333604287 /nfs/dbraw/zinc/60/42/87/333604287.db2.gz CLJMCOCXZIPURJ-UHFFFAOYSA-N -1 3 304.371 3.849 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccoc1Cl ZINC000434275006 333652040 /nfs/dbraw/zinc/65/20/40/333652040.db2.gz GCSSQHTVXKGRPS-UHFFFAOYSA-N -1 3 321.638 3.790 20 0 DHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412170597 333735503 /nfs/dbraw/zinc/73/55/03/333735503.db2.gz SXFIDSHAMHIHJJ-WBMJQRKESA-N -1 3 303.402 3.636 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2cnccc2Cl)c([O-])c1 ZINC000412318493 333746660 /nfs/dbraw/zinc/74/66/60/333746660.db2.gz HJJCBRMNEKPDTQ-UHFFFAOYSA-N -1 3 318.804 3.919 20 0 DHADHM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436835762 334004794 /nfs/dbraw/zinc/00/47/94/334004794.db2.gz WZFTYCMYZQQKNS-QGZVFWFLSA-N -1 3 309.409 3.947 20 0 DHADHM COc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cn1 ZINC000436887383 334015283 /nfs/dbraw/zinc/01/52/83/334015283.db2.gz JLBYMBAAGJEEDI-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000272115138 334030882 /nfs/dbraw/zinc/03/08/82/334030882.db2.gz YNTNAXMFZYZQNN-CQSZACIVSA-N -1 3 318.804 3.753 20 0 DHADHM CCCCn1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1CC ZINC000430260829 334039245 /nfs/dbraw/zinc/03/92/45/334039245.db2.gz UHICDMGGVXAKKF-UHFFFAOYSA-N -1 3 321.808 3.857 20 0 DHADHM O=C([O-])CCCCCCCNCc1ccc(Br)o1 ZINC000277404041 334088267 /nfs/dbraw/zinc/08/82/67/334088267.db2.gz SCOXZCYBGQYVDX-UHFFFAOYSA-N -1 3 318.211 3.557 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@@H]4CCC(F)(F)C4)no3)n[n-]2)o1 ZINC000281374110 334125581 /nfs/dbraw/zinc/12/55/81/334125581.db2.gz LWLXXOXURNSADM-SECBINFHSA-N -1 3 320.299 3.931 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@@H]4CCC(F)(F)C4)no3)[n-]n2)o1 ZINC000281374110 334125582 /nfs/dbraw/zinc/12/55/82/334125582.db2.gz LWLXXOXURNSADM-SECBINFHSA-N -1 3 320.299 3.931 20 0 DHADHM CC(C)c1scnc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000289802211 334167927 /nfs/dbraw/zinc/16/79/27/334167927.db2.gz ZHOYTDINJNAJQL-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000442971578 338440662 /nfs/dbraw/zinc/44/06/62/338440662.db2.gz WBULBNDZTBLXKV-HNNXBMFYSA-N -1 3 305.418 3.880 20 0 DHADHM COc1cc(C(=O)N[C@@H](c2ccccc2C)C(C)C)ccc1[O-] ZINC000442974049 338440751 /nfs/dbraw/zinc/44/07/51/338440751.db2.gz OXMMAAUCDXGDPP-GOSISDBHSA-N -1 3 313.397 3.836 20 0 DHADHM Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000303005309 334299267 /nfs/dbraw/zinc/29/92/67/334299267.db2.gz ZJQIDLCQOXYSPR-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000111211154 334306794 /nfs/dbraw/zinc/30/67/94/334306794.db2.gz FUSVNZUDONLTCB-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1c(Cl)cccc1Cl ZINC000049282560 334324521 /nfs/dbraw/zinc/32/45/21/334324521.db2.gz KFWWIZSJFPFCAT-JTQLQIEISA-N -1 3 320.241 3.628 20 0 DHADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1[O-] ZINC000101630817 334339708 /nfs/dbraw/zinc/33/97/08/334339708.db2.gz RVMCWXZDXPAPPE-GFCCVEGCSA-N -1 3 324.384 3.669 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000341311615 334434002 /nfs/dbraw/zinc/43/40/02/334434002.db2.gz VELDQYPBNNJFBV-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM COC(=O)c1cc(F)cc([N-]C(=O)c2occc2C(C)C)c1F ZINC000341695143 334471210 /nfs/dbraw/zinc/47/12/10/334471210.db2.gz JXPVVQBRMJAAHL-UHFFFAOYSA-N -1 3 323.295 3.720 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(Sc2ccccc2)CCCC1 ZINC000341906561 334490763 /nfs/dbraw/zinc/49/07/63/334490763.db2.gz YSKOWMWWEKFAGU-UHFFFAOYSA-N -1 3 314.410 3.831 20 0 DHADHM CC[C@@H](C)C(=O)Cc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000416410424 334666679 /nfs/dbraw/zinc/66/66/79/334666679.db2.gz FWVVMQQSXUBVTD-ZCFIWIBFSA-N -1 3 318.320 3.573 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000416432871 334667638 /nfs/dbraw/zinc/66/76/38/334667638.db2.gz MHASRSDXXWWXAF-JTQLQIEISA-N -1 3 323.792 3.505 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(C)c2)c([O-])c1C ZINC000444425958 338472463 /nfs/dbraw/zinc/47/24/63/338472463.db2.gz YQIBFGQIPHRFLA-UHFFFAOYSA-N -1 3 301.361 3.729 20 0 DHADHM CC1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCC1 ZINC000444171232 338469466 /nfs/dbraw/zinc/46/94/66/338469466.db2.gz WNFKWGLXQAIFTQ-UHFFFAOYSA-N -1 3 323.392 3.543 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1cccc2ncccc21 ZINC000189744919 334910273 /nfs/dbraw/zinc/91/02/73/334910273.db2.gz JNAXZUBATBGRLW-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1c(C)noc1C ZINC000343900884 335204342 /nfs/dbraw/zinc/20/43/42/335204342.db2.gz UHYOGCDARUSCHY-ZDUSSCGKSA-N -1 3 308.765 3.532 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cc3[nH]ccc3cc2C)c1[O-] ZINC000444445014 338472822 /nfs/dbraw/zinc/47/28/22/338472822.db2.gz BTCWPWNHXNEBDN-UHFFFAOYSA-N -1 3 310.353 3.751 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(CC(F)F)CC1CCC1 ZINC000344258189 335233081 /nfs/dbraw/zinc/23/30/81/335233081.db2.gz YGJABEZSRQNSMB-UHFFFAOYSA-N -1 3 303.736 3.553 20 0 DHADHM O=C(Nc1ccccc1[O-])c1nccnc1Sc1ccccc1 ZINC000344792114 335277596 /nfs/dbraw/zinc/27/75/96/335277596.db2.gz UWZNPNUDHLYIDO-UHFFFAOYSA-N -1 3 323.377 3.586 20 0 DHADHM C[C@H]1CCCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468614899 335295145 /nfs/dbraw/zinc/29/51/45/335295145.db2.gz HDWVRPILMCGBIH-DZGCQCFKSA-N -1 3 307.409 3.797 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)c2c([O-])cccc21 ZINC000345142645 335301181 /nfs/dbraw/zinc/30/11/81/335301181.db2.gz AUBHNBDWHLKOIJ-SNVBAGLBSA-N -1 3 302.761 3.595 20 0 DHADHM C[C@H]1CCC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468620055 335302952 /nfs/dbraw/zinc/30/29/52/335302952.db2.gz RYPFQNVPVANSIF-ZFWWWQNUSA-N -1 3 307.409 3.797 20 0 DHADHM O=C([N-]c1cccc(F)c1Cl)c1cc(-c2ccccn2)no1 ZINC000345329095 335317638 /nfs/dbraw/zinc/31/76/38/335317638.db2.gz RRQJPLDOHSYZPD-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(Cc4cccs4)no3)n[n-]2)o1 ZINC000345468463 335327889 /nfs/dbraw/zinc/32/78/89/335327889.db2.gz BSTJRZOTDZTSAI-UHFFFAOYSA-N -1 3 312.354 3.680 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(Cc4cccs4)no3)[n-]n2)o1 ZINC000345468463 335327890 /nfs/dbraw/zinc/32/78/90/335327890.db2.gz BSTJRZOTDZTSAI-UHFFFAOYSA-N -1 3 312.354 3.680 20 0 DHADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])c2ccccc12 ZINC000345924317 335361285 /nfs/dbraw/zinc/36/12/85/335361285.db2.gz IGWUKAXGJVBZPG-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nc(C)ccc1[O-] ZINC000345941442 335362424 /nfs/dbraw/zinc/36/24/24/335362424.db2.gz OJKMGPJTFRJGNN-UHFFFAOYSA-N -1 3 315.760 3.791 20 0 DHADHM CCSCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345954081 335363765 /nfs/dbraw/zinc/36/37/65/335363765.db2.gz SSAMUGKAXRMLHR-GFCCVEGCSA-N -1 3 313.438 3.502 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000345975329 335367016 /nfs/dbraw/zinc/36/70/16/335367016.db2.gz GBMIXSPSWITFLJ-GFCCVEGCSA-N -1 3 324.302 3.770 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3)nc2)n1 ZINC000345990355 335368100 /nfs/dbraw/zinc/36/81/00/335368100.db2.gz PSYVDUGRBCBWAI-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])sc2nccc(C)c12 ZINC000346004167 335368900 /nfs/dbraw/zinc/36/89/00/335368900.db2.gz XLOLYOFNFHTUDH-UHFFFAOYSA-N -1 3 313.382 3.574 20 0 DHADHM COc1cc(C)c(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000347168520 335475103 /nfs/dbraw/zinc/47/51/03/335475103.db2.gz PPLVALIZALJERO-UHFFFAOYSA-N -1 3 309.724 3.754 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cncc(C(F)(F)F)c1 ZINC000348093732 335552522 /nfs/dbraw/zinc/55/25/22/335552522.db2.gz UZJIOLZIFQVNES-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(=O)c1ccc(-c2nc(=O)c3c(C)csc3[n-]2)c(F)c1 ZINC000348995663 335627557 /nfs/dbraw/zinc/62/75/57/335627557.db2.gz NGGUJPOBSRMFQE-UHFFFAOYSA-N -1 3 302.330 3.714 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000349081055 335633429 /nfs/dbraw/zinc/63/34/29/335633429.db2.gz VEBSMEBGTPAPSS-CVEARBPZSA-N -1 3 317.772 3.904 20 0 DHADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000349326863 335663635 /nfs/dbraw/zinc/66/36/35/335663635.db2.gz UZBWHBTUIGWHMO-LURJTMIESA-N -1 3 317.197 3.647 20 0 DHADHM CSCc1cc(F)ccc1CNCc1cc([O-])cc(F)c1 ZINC000349562440 335680892 /nfs/dbraw/zinc/68/08/92/335680892.db2.gz DWBAXTIVOVXVAW-UHFFFAOYSA-N -1 3 309.381 3.823 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(C(F)(F)F)CCCC2)c1[O-] ZINC000583566086 335736185 /nfs/dbraw/zinc/73/61/85/335736185.db2.gz BIQVVNFABQELME-UHFFFAOYSA-N -1 3 315.291 3.656 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]1c1ccccn1 ZINC000536689466 335862121 /nfs/dbraw/zinc/86/21/21/335862121.db2.gz SLHQGDMNONBRLW-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c([O-])c1C ZINC000536698462 335864211 /nfs/dbraw/zinc/86/42/11/335864211.db2.gz PJJDCYORJQDSJD-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cc(Cl)ccc1Cl ZINC000351266876 336024775 /nfs/dbraw/zinc/02/47/75/336024775.db2.gz GLOMHNQPLRPGCZ-ZCFIWIBFSA-N -1 3 317.197 3.647 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c([O-])c1 ZINC000367118375 336024906 /nfs/dbraw/zinc/02/49/06/336024906.db2.gz BDDDKONHMUDRPG-LSDHHAIUSA-N -1 3 310.397 3.827 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)cc(F)c1 ZINC000042090812 336033191 /nfs/dbraw/zinc/03/31/91/336033191.db2.gz GIGZYQXKHQEQFG-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM C[C@H]1CCCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000330124948 336115876 /nfs/dbraw/zinc/11/58/76/336115876.db2.gz CMNJGZPNDVSJDF-LBPRGKRZSA-N -1 3 311.385 3.704 20 0 DHADHM Cc1csc(CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000331755685 336147501 /nfs/dbraw/zinc/14/75/01/336147501.db2.gz DLQJGTJOAKWYJP-LLVKDONJSA-N -1 3 316.426 3.630 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC000331994108 336155403 /nfs/dbraw/zinc/15/54/03/336155403.db2.gz UWGCVPOWTMJBPP-KRWDZBQOSA-N -1 3 310.397 3.888 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)cc1[O-] ZINC000332029414 336156082 /nfs/dbraw/zinc/15/60/82/336156082.db2.gz ZFBZUMMEMWOGQO-SFHVURJKSA-N -1 3 323.392 3.881 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2noc3c2CCCC3)c([O-])c1 ZINC000332250744 336164929 /nfs/dbraw/zinc/16/49/29/336164929.db2.gz LQFFKLDSCJTWOS-UHFFFAOYSA-N -1 3 314.385 3.809 20 0 DHADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000351940369 336181852 /nfs/dbraw/zinc/18/18/52/336181852.db2.gz CADGUJAMJICPMF-UHFFFAOYSA-N -1 3 317.307 3.745 20 0 DHADHM COc1ccc([C@@H]2CCCN2Cc2cc([O-])cc(F)c2)cc1 ZINC000351997588 336187164 /nfs/dbraw/zinc/18/71/64/336187164.db2.gz VEHZJFJXSZYOMC-SFHVURJKSA-N -1 3 301.361 3.877 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccsc3)s2)n1 ZINC000352035736 336190944 /nfs/dbraw/zinc/19/09/44/336190944.db2.gz UEWZWYQSOHOGAC-IHWYPQMZSA-N -1 3 301.396 3.846 20 0 DHADHM O=c1[n-]c(CN2CCC[C@@H]3CCC[C@@H]32)nc2c3ccccc3oc21 ZINC000333430694 336203514 /nfs/dbraw/zinc/20/35/14/336203514.db2.gz HLPIGUNSDRDLOG-JSGCOSHPSA-N -1 3 323.396 3.846 20 0 DHADHM Cc1c([N-]C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)onc1C1CCCCC1 ZINC000333909545 336212177 /nfs/dbraw/zinc/21/21/77/336212177.db2.gz WMNUGFKCIIOJNA-FIXISWKDSA-N -1 3 306.406 3.783 20 0 DHADHM Cc1nc(CNCc2cc([O-])cc(C(F)(F)F)c2)sc1C ZINC000352797013 336237547 /nfs/dbraw/zinc/23/75/47/336237547.db2.gz MAWNSRBIRYUYSR-UHFFFAOYSA-N -1 3 316.348 3.774 20 0 DHADHM COc1ccc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])cc1C ZINC000103200643 336238556 /nfs/dbraw/zinc/23/85/56/336238556.db2.gz GRRXXXVRBMALSM-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2cc(C)sc2C)c1[O-] ZINC000042373201 336239750 /nfs/dbraw/zinc/23/97/50/336239750.db2.gz XXXXOFCCKJQLFQ-SNVBAGLBSA-N -1 3 305.399 3.570 20 0 DHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000532445972 336247733 /nfs/dbraw/zinc/24/77/33/336247733.db2.gz VYQGNFCGDMTGGY-AWEZNQCLSA-N -1 3 324.384 3.581 20 0 DHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000532445972 336247734 /nfs/dbraw/zinc/24/77/34/336247734.db2.gz VYQGNFCGDMTGGY-AWEZNQCLSA-N -1 3 324.384 3.581 20 0 DHADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000532445972 336247735 /nfs/dbraw/zinc/24/77/35/336247735.db2.gz VYQGNFCGDMTGGY-AWEZNQCLSA-N -1 3 324.384 3.581 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[O-] ZINC000526952685 336276418 /nfs/dbraw/zinc/27/64/18/336276418.db2.gz KKWFQSINRAKCKT-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c([O-])c1 ZINC000527048968 336281188 /nfs/dbraw/zinc/28/11/88/336281188.db2.gz YLTPZZXFKBPIOQ-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM CCCC1(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000301654746 336321119 /nfs/dbraw/zinc/32/11/19/336321119.db2.gz RKKGUUGLVCSUMW-UHFFFAOYSA-N -1 3 312.417 3.799 20 0 DHADHM COc1cc(C(=O)NCC(C)(C)C2CCCCC2)ccc1[O-] ZINC000443058469 336362043 /nfs/dbraw/zinc/36/20/43/336362043.db2.gz AGFRWPBXBLUTJV-UHFFFAOYSA-N -1 3 305.418 3.737 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000352933849 336378153 /nfs/dbraw/zinc/37/81/53/336378153.db2.gz FHTMJXBCVQFVCU-UHFFFAOYSA-N -1 3 316.376 3.672 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1C(C)(C)C ZINC000109091638 336395279 /nfs/dbraw/zinc/39/52/79/336395279.db2.gz WDLWZVTVCWFTIR-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1coc2ccccc12 ZINC000354136581 336461153 /nfs/dbraw/zinc/46/11/53/336461153.db2.gz JQFDPMXRFNEXJZ-UHFFFAOYSA-N -1 3 311.322 3.797 20 0 DHADHM O=C([N-]c1nccs1)c1cc(-c2cccc(Cl)c2)no1 ZINC000354235315 336464286 /nfs/dbraw/zinc/46/42/86/336464286.db2.gz LSVWJMHZPZDAQI-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM CCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1[O-] ZINC000354834029 336484153 /nfs/dbraw/zinc/48/41/53/336484153.db2.gz JYUUXEQIDGHDKR-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1oc(CC2CC2)nc1C ZINC000355484886 336511280 /nfs/dbraw/zinc/51/12/80/336511280.db2.gz KVMQNQNBWSYIIE-UHFFFAOYSA-N -1 3 302.399 3.910 20 0 DHADHM Cc1c(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)nnn1C ZINC000356158399 336538768 /nfs/dbraw/zinc/53/87/68/336538768.db2.gz FBABUSFWONXEGJ-UHFFFAOYSA-N -1 3 324.837 3.530 20 0 DHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000357433374 336585037 /nfs/dbraw/zinc/58/50/37/336585037.db2.gz AREOGSVZWNSLBX-HIFRSBDPSA-N -1 3 321.298 3.697 20 0 DHADHM COc1ncccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000357772850 336597621 /nfs/dbraw/zinc/59/76/21/336597621.db2.gz NDPFUEYOANQCMD-UHFFFAOYSA-N -1 3 307.762 3.539 20 0 DHADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1cn(C)c2ccccc12 ZINC000358149118 336613370 /nfs/dbraw/zinc/61/33/70/336613370.db2.gz DZPNNWBKTRPFLG-NSHDSACASA-N -1 3 312.344 3.765 20 0 DHADHM O=C([N-]c1cc(Cl)ccn1)c1c(F)c(F)cc(F)c1F ZINC000360140469 336702681 /nfs/dbraw/zinc/70/26/81/336702681.db2.gz OSWOABVJHCYOEZ-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM Cc1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)ccc1[O-] ZINC000360306888 336707684 /nfs/dbraw/zinc/70/76/84/336707684.db2.gz AUJILGWMEZQAPG-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])cc2F)o1 ZINC000360857010 336724546 /nfs/dbraw/zinc/72/45/46/336724546.db2.gz ZVXBQDBAJMCGAG-GWNIPJSYSA-N -1 3 315.344 3.990 20 0 DHADHM COc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)ccc1[O-] ZINC000362391575 336795328 /nfs/dbraw/zinc/79/53/28/336795328.db2.gz QOUHOCGXGYRADQ-SFHVURJKSA-N -1 3 323.348 3.513 20 0 DHADHM O=C(Nc1ccccc1[O-])C1(c2ccccc2)CC(F)(F)C1 ZINC000367686961 336827980 /nfs/dbraw/zinc/82/79/80/336827980.db2.gz MHFQCJDGBGVINJ-UHFFFAOYSA-N -1 3 303.308 3.698 20 0 DHADHM O=C(Nc1c[nH]nc1-c1ccccc1)c1cc([O-])ccc1Cl ZINC000368164056 336839806 /nfs/dbraw/zinc/83/98/06/336839806.db2.gz YNPWEFXDTYPBDX-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1ccc(C2CCN(Cc3cc([O-])cc(F)c3)CC2)cn1 ZINC000375219631 337005997 /nfs/dbraw/zinc/00/59/97/337005997.db2.gz FPVKRVRMURGMSA-UHFFFAOYSA-N -1 3 300.377 3.614 20 0 DHADHM Cc1cnc([C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)s1 ZINC000375224815 337006065 /nfs/dbraw/zinc/00/60/65/337006065.db2.gz XYTBXVXTHOCSJW-ZDUSSCGKSA-N -1 3 306.406 3.676 20 0 DHADHM Cc1cnc([C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)s1 ZINC000375224814 337006154 /nfs/dbraw/zinc/00/61/54/337006154.db2.gz XYTBXVXTHOCSJW-CYBMUJFWSA-N -1 3 306.406 3.676 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000426752986 337044978 /nfs/dbraw/zinc/04/49/78/337044978.db2.gz BSMQFTJNODISJO-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM Cn1ccc([C@H]([N-]c2nc3ccccc3o2)c2ccc(F)cc2)n1 ZINC000378407225 337072054 /nfs/dbraw/zinc/07/20/54/337072054.db2.gz XLRVSUOZXOIXKX-QGZVFWFLSA-N -1 3 322.343 3.902 20 0 DHADHM COC[C@@H](C)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000193607220 337078481 /nfs/dbraw/zinc/07/84/81/337078481.db2.gz DZUKPHLSICWPNC-CYBMUJFWSA-N -1 3 307.434 3.746 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1Cc1ccccc1Cl ZINC000194243254 337086448 /nfs/dbraw/zinc/08/64/48/337086448.db2.gz WJCRIXGWTOQIHX-AWEZNQCLSA-N -1 3 315.800 3.893 20 0 DHADHM Cc1noc(C)c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000171492347 337087531 /nfs/dbraw/zinc/08/75/31/337087531.db2.gz TWPFGGFPMFNBGE-UHFFFAOYSA-N -1 3 320.418 3.518 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2scc(C)c2Cl)c1[O-] ZINC000582562504 337109570 /nfs/dbraw/zinc/10/95/70/337109570.db2.gz CDBKSLSOASQVBH-UHFFFAOYSA-N -1 3 309.774 3.870 20 0 DHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000582761790 337137677 /nfs/dbraw/zinc/13/76/77/337137677.db2.gz NKHFIORBKBVPFU-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM COc1cccc([C@H](C)Sc2n[n-]c(-c3ccccn3)n2)c1 ZINC000175266473 337146608 /nfs/dbraw/zinc/14/66/08/337146608.db2.gz PGJIIDJKSHWJAO-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM Cn1ccc2ccc(NC(=O)c3c[n-]nc3-c3ccccc3)cc21 ZINC000175633755 337146704 /nfs/dbraw/zinc/14/67/04/337146704.db2.gz MYECRSGSWKSBPW-UHFFFAOYSA-N -1 3 316.364 3.821 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)ccc1[O-] ZINC000514667308 337147193 /nfs/dbraw/zinc/14/71/93/337147193.db2.gz YOAJGBSMGNHRIA-UHFFFAOYSA-N -1 3 309.365 3.862 20 0 DHADHM CC(C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)=C1CCCC1 ZINC000176581873 337152226 /nfs/dbraw/zinc/15/22/26/337152226.db2.gz QVAMAROEVDPPIR-UHFFFAOYSA-N -1 3 323.396 3.574 20 0 DHADHM COc1csc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000177405650 337155883 /nfs/dbraw/zinc/15/58/83/337155883.db2.gz QCSZPKCZDSTPHH-UHFFFAOYSA-N -1 3 323.424 3.589 20 0 DHADHM O=C([N-]c1nc(C2CC2)cs1)c1c(F)c(F)cc(F)c1F ZINC000177754186 337157226 /nfs/dbraw/zinc/15/72/26/337157226.db2.gz FBNNAEPLADAIPP-UHFFFAOYSA-N -1 3 316.279 3.829 20 0 DHADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cc2ccccc2o1 ZINC000178265087 337161900 /nfs/dbraw/zinc/16/19/00/337161900.db2.gz BMSSMGWQLUWNTD-LLVKDONJSA-N -1 3 313.328 3.697 20 0 DHADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nnc(C)s3)s2)o1 ZINC000180518317 337176126 /nfs/dbraw/zinc/17/61/26/337176126.db2.gz BVCPIIBPOLACPW-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000182123761 337186629 /nfs/dbraw/zinc/18/66/29/337186629.db2.gz ISSPGHGOZSGKQJ-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cccc([O-])c1 ZINC000182147234 337186828 /nfs/dbraw/zinc/18/68/28/337186828.db2.gz ANMFZXXOPFLPDV-UHFFFAOYSA-N -1 3 319.320 3.781 20 0 DHADHM O=C(Nc1cnccc1Oc1ccccc1)c1cccc([O-])c1 ZINC000182266204 337187744 /nfs/dbraw/zinc/18/77/44/337187744.db2.gz QNZRBKPEDOKVRU-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM CCc1noc(-c2ccc(C)c(NC(=O)c3cccc([O-])c3)c2)n1 ZINC000182570971 337188987 /nfs/dbraw/zinc/18/89/87/337188987.db2.gz QVNFOUFCYQVNHF-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COCc1ccsc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000182765548 337189745 /nfs/dbraw/zinc/18/97/45/337189745.db2.gz PVWJMSNBQJFBSF-UHFFFAOYSA-N -1 3 311.790 3.814 20 0 DHADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)c(C)n1C1CC1 ZINC000182945505 337190789 /nfs/dbraw/zinc/19/07/89/337190789.db2.gz AYQPRPPFKVDOBD-UHFFFAOYSA-N -1 3 310.397 3.738 20 0 DHADHM CCn1cc(Br)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000183027210 337191044 /nfs/dbraw/zinc/19/10/44/337191044.db2.gz CKLWETQVWULILF-UHFFFAOYSA-N -1 3 323.190 3.537 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1scnc1C1CCCC1 ZINC000183977451 337194226 /nfs/dbraw/zinc/19/42/26/337194226.db2.gz QLOQIUQLHBABAJ-UHFFFAOYSA-N -1 3 320.389 3.575 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185492612 337205842 /nfs/dbraw/zinc/20/58/42/337205842.db2.gz FGUTYNOPBHNVRR-IBGZPJMESA-N -1 3 308.356 3.806 20 0 DHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[C@@H]2C1 ZINC000582851284 337210371 /nfs/dbraw/zinc/21/03/71/337210371.db2.gz MAQGKJCLMSAGHN-RBZYPMLTSA-N -1 3 314.212 3.851 20 0 DHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[C@@H]2C1 ZINC000582851283 337210481 /nfs/dbraw/zinc/21/04/81/337210481.db2.gz MAQGKJCLMSAGHN-ISTVAULSSA-N -1 3 314.212 3.851 20 0 DHADHM CC(C)Oc1ccc(CN2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000583089216 337239193 /nfs/dbraw/zinc/23/91/93/337239193.db2.gz AYYUFRBONNPPPW-CYBMUJFWSA-N -1 3 311.809 3.566 20 0 DHADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1cn(C)c2ccccc12 ZINC000185622348 337249704 /nfs/dbraw/zinc/24/97/04/337249704.db2.gz NLYYWJTWOFFZAB-LLVKDONJSA-N -1 3 312.344 3.765 20 0 DHADHM CN(c1ccccc1)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186199725 337254345 /nfs/dbraw/zinc/25/43/45/337254345.db2.gz MWJMRNMXQPAEES-UHFFFAOYSA-N -1 3 314.404 3.632 20 0 DHADHM COc1cc(CN(C)Cc2cc([O-])cc(F)c2)ccc1SC ZINC000186201252 337254570 /nfs/dbraw/zinc/25/45/70/337254570.db2.gz JTTVPCADCHIYNV-UHFFFAOYSA-N -1 3 321.417 3.894 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c(O)c1 ZINC000188911837 337275553 /nfs/dbraw/zinc/27/55/53/337275553.db2.gz SWFMJEPYPXDKSE-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192848845 337307943 /nfs/dbraw/zinc/30/79/43/337307943.db2.gz VDXJDZKGLQTMBO-UHFFFAOYSA-N -1 3 320.392 3.893 20 0 DHADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)cc1F ZINC000583877577 337369025 /nfs/dbraw/zinc/36/90/25/337369025.db2.gz PYMBRJIJHIHAQN-INIZCTEOSA-N -1 3 319.351 3.655 20 0 DHADHM CC(C)c1csc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000029776350 337389770 /nfs/dbraw/zinc/38/97/70/337389770.db2.gz IMAJEQJVSZGLTM-UHFFFAOYSA-N -1 3 312.398 3.909 20 0 DHADHM CC(C)c1csc(NC(=O)c2cn[n-]c2-c2ccccc2)n1 ZINC000029776350 337389771 /nfs/dbraw/zinc/38/97/71/337389771.db2.gz IMAJEQJVSZGLTM-UHFFFAOYSA-N -1 3 312.398 3.909 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2c2ccc(C)s2)c1[O-] ZINC000114672277 337391778 /nfs/dbraw/zinc/39/17/78/337391778.db2.gz XTJUWKUIIPWSLQ-ZDUSSCGKSA-N -1 3 317.410 3.748 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000120178557 337395471 /nfs/dbraw/zinc/39/54/71/337395471.db2.gz FZXZQHVRXRBEKL-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM COCCCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419405541 337482415 /nfs/dbraw/zinc/48/24/15/337482415.db2.gz HTFZXNHZQLSCEI-UHFFFAOYSA-N -1 3 318.442 3.899 20 0 DHADHM CC(C)c1ccc(OCCNCc2cccc(C(=O)[O-])c2)cc1 ZINC000263468786 337629933 /nfs/dbraw/zinc/62/99/33/337629933.db2.gz KSVZYFAMKGAEBZ-UHFFFAOYSA-N -1 3 313.397 3.677 20 0 DHADHM CC(C)C[C@H](CNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000263484927 337630295 /nfs/dbraw/zinc/63/02/95/337630295.db2.gz MHPZSIOWBNJIED-CQSZACIVSA-N -1 3 317.385 3.908 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421971435 337664135 /nfs/dbraw/zinc/66/41/35/337664135.db2.gz UMVUKAZCURXPSU-SECBINFHSA-N -1 3 321.726 3.850 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@]23CCOC3)c([O-])c(C(C)C)c1 ZINC000422088424 337669731 /nfs/dbraw/zinc/66/97/31/337669731.db2.gz LTEUHQIXTFCXHJ-LJQANCHMSA-N -1 3 317.429 3.644 20 0 DHADHM CCOc1cc(-c2noc(C[C@@H]3CC[C@@H](C)C3)n2)ccc1[O-] ZINC000445425219 337726476 /nfs/dbraw/zinc/72/64/76/337726476.db2.gz BNSDQNFEGVYCEF-VXGBXAGGSA-N -1 3 302.374 3.820 20 0 DHADHM C[C@@H](CCc1ccc(O)cc1)NCc1cccc([O-])c1Cl ZINC000328075875 337792486 /nfs/dbraw/zinc/79/24/86/337792486.db2.gz AQHUHQHTMZSFTF-LBPRGKRZSA-N -1 3 305.805 3.862 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000119485639 337861039 /nfs/dbraw/zinc/86/10/39/337861039.db2.gz GJRVJZMTAHSZKG-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(C)ccc2[O-])cc1 ZINC000121362985 337892575 /nfs/dbraw/zinc/89/25/75/337892575.db2.gz IKVHZWIKVDPGCD-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000093052091 337911847 /nfs/dbraw/zinc/91/18/47/337911847.db2.gz BKBBUNWWQNWJMS-OAHLLOKOSA-N -1 3 310.319 3.831 20 0 DHADHM Cc1cc(F)c(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612909 337917241 /nfs/dbraw/zinc/91/72/41/337917241.db2.gz APARGUFFXWALEK-HZMBPMFUSA-N -1 3 301.789 3.622 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2cccn2C)c1 ZINC000122616206 337922913 /nfs/dbraw/zinc/92/29/13/337922913.db2.gz QEDJPEHDXRQGAU-KRWDZBQOSA-N -1 3 312.413 3.797 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(Cl)c1Cl ZINC000424618471 337924441 /nfs/dbraw/zinc/92/44/41/337924441.db2.gz KAGWSFQPHLXJID-VXNVDRBHSA-N -1 3 310.246 3.890 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(Cl)cc1Cl ZINC000424622354 337925686 /nfs/dbraw/zinc/92/56/86/337925686.db2.gz QAHIRIHZBGWHSW-RNCFNFMXSA-N -1 3 304.217 3.828 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000537565622 337943834 /nfs/dbraw/zinc/94/38/34/337943834.db2.gz VLIXEEAFFJRMSX-GFCCVEGCSA-N -1 3 323.380 3.640 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1[O-] ZINC000537657830 337957106 /nfs/dbraw/zinc/95/71/06/337957106.db2.gz WBESLNXAHBBWHM-OAHLLOKOSA-N -1 3 301.411 3.993 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000424763432 337984450 /nfs/dbraw/zinc/98/44/50/337984450.db2.gz ZZDCDWPMUZYDNR-PSASIEDQSA-N -1 3 316.170 3.622 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1 ZINC000515902846 338000402 /nfs/dbraw/zinc/00/04/02/338000402.db2.gz MVJBDJUPKCJZMW-OLZOCXBDSA-N -1 3 305.418 3.688 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1cccc2ccccc21 ZINC000084460552 338002548 /nfs/dbraw/zinc/00/25/48/338002548.db2.gz KDLZRMBUQZMJFR-UHFFFAOYSA-N -1 3 319.332 3.919 20 0 DHADHM O=C([O-])C[C@H](CNCc1cc(Cl)ccc1F)c1ccccc1 ZINC000426654934 338037087 /nfs/dbraw/zinc/03/70/87/338037087.db2.gz PFZFYJGZMWQYRZ-CYBMUJFWSA-N -1 3 321.779 3.827 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000426658417 338037243 /nfs/dbraw/zinc/03/72/43/338037243.db2.gz WHZYUKQJDRZKBZ-CYBMUJFWSA-N -1 3 318.442 3.933 20 0 DHADHM Cc1cc(Cl)cc(C)c1CNCc1ccccc1CC(=O)[O-] ZINC000426691647 338038238 /nfs/dbraw/zinc/03/82/38/338038238.db2.gz JVLHIIDNNNMZOJ-UHFFFAOYSA-N -1 3 317.816 3.874 20 0 DHADHM CCSc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000426696304 338038328 /nfs/dbraw/zinc/03/83/28/338038328.db2.gz RKHAXQNIRFOZFZ-UHFFFAOYSA-N -1 3 301.411 3.787 20 0 DHADHM Cc1ccc([C@H](NCc2ccc3nc(C)ccc3c2)C(=O)[O-])cc1 ZINC000426706599 338038701 /nfs/dbraw/zinc/03/87/01/338038701.db2.gz VGLVNHRLCTVARK-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM Cc1cc2[nH]c(CNCc3ccccc3CC(=O)[O-])cc2c(C)c1 ZINC000426710455 338038708 /nfs/dbraw/zinc/03/87/08/338038708.db2.gz WIGOEKXKNHIVBS-UHFFFAOYSA-N -1 3 322.408 3.702 20 0 DHADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000426723720 338039309 /nfs/dbraw/zinc/03/93/09/338039309.db2.gz NHTNWQNEIVVRED-GOSISDBHSA-N -1 3 313.397 3.618 20 0 DHADHM CCc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426734685 338039802 /nfs/dbraw/zinc/03/98/02/338039802.db2.gz AXJLXFKMVFSXJG-INIZCTEOSA-N -1 3 303.789 3.818 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000426734922 338039879 /nfs/dbraw/zinc/03/98/79/338039879.db2.gz BYMHFBQUPHCMIW-YOEHRIQHSA-N -1 3 316.426 3.543 20 0 DHADHM Cc1cccc([C@@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1C ZINC000426740021 338040091 /nfs/dbraw/zinc/04/00/91/338040091.db2.gz FVWWOQGFOGLXGX-MRXNPFEDSA-N -1 3 323.314 3.636 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc3cc[nH]c32)C(=O)[O-])c1C ZINC000426739213 338040104 /nfs/dbraw/zinc/04/01/04/338040104.db2.gz AQINVNBAEGBGCT-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)n1 ZINC000429242282 338074377 /nfs/dbraw/zinc/07/43/77/338074377.db2.gz RIYPUTNOZBUBMT-LLVKDONJSA-N -1 3 309.369 3.709 20 0 DHADHM Cc1ccc(C)c(CN(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000430194999 338100830 /nfs/dbraw/zinc/10/08/30/338100830.db2.gz MBPUNNNZPNTMIQ-UHFFFAOYSA-N -1 3 317.816 3.864 20 0 DHADHM CCc1occc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000430810808 338115809 /nfs/dbraw/zinc/11/58/09/338115809.db2.gz WNITXLILDWACHV-UHFFFAOYSA-N -1 3 311.259 3.714 20 0 DHADHM CCCOc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431761324 338138164 /nfs/dbraw/zinc/13/81/64/338138164.db2.gz NMMGRKMBMSXUAN-UHFFFAOYSA-N -1 3 319.788 3.764 20 0 DHADHM CCOc1cccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431768728 338138421 /nfs/dbraw/zinc/13/84/21/338138421.db2.gz GICNLQJWYYSSOW-LLVKDONJSA-N -1 3 319.788 3.935 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(CN(C)C)c1 ZINC000431772712 338138454 /nfs/dbraw/zinc/13/84/54/338138454.db2.gz MJWAPBCTERUQBX-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCc2ccccc2C1 ZINC000431786723 338138837 /nfs/dbraw/zinc/13/88/37/338138837.db2.gz SNSOWKQFQSKTOE-AWEZNQCLSA-N -1 3 315.800 3.675 20 0 DHADHM CC(=O)Nc1ccc(C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431920471 338141912 /nfs/dbraw/zinc/14/19/12/338141912.db2.gz FDFCJGDPLHJUER-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM O=c1ccnc(C(=Cc2cc(F)cc(F)c2)Cc2ccccc2)[n-]1 ZINC000432692842 338163279 /nfs/dbraw/zinc/16/32/79/338163279.db2.gz GDWOPDLYZZOBNP-DHDCSXOGSA-N -1 3 324.330 3.831 20 0 DHADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccccc1OC ZINC000433025220 338176972 /nfs/dbraw/zinc/17/69/72/338176972.db2.gz IYGXOHQBAAHRLE-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433297594 338190195 /nfs/dbraw/zinc/19/01/95/338190195.db2.gz LTDRVIGQNVWRRY-TZMCWYRMSA-N -1 3 317.820 3.695 20 0 DHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000433299880 338190350 /nfs/dbraw/zinc/19/03/50/338190350.db2.gz CJGQVPYANZTORK-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)c(C)c1 ZINC000433490506 338195588 /nfs/dbraw/zinc/19/55/88/338195588.db2.gz IJDUGNRDHNYMLS-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM Cn1c(=O)[n-]nc1SCc1ccc(-c2cccs2)cc1 ZINC000434649735 338222474 /nfs/dbraw/zinc/22/24/74/338222474.db2.gz CMNBMNSXXZEZSC-UHFFFAOYSA-N -1 3 303.412 3.542 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000435731022 338246618 /nfs/dbraw/zinc/24/66/18/338246618.db2.gz HOAYXVZIGLGGMF-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@@H]1[C@@H](C(=O)N2CCCc3cccc([O-])c32)[C@@H]1c1ccccc1 ZINC000435801909 338249783 /nfs/dbraw/zinc/24/97/83/338249783.db2.gz WQEAFVURCZOOOX-DOPJRALCSA-N -1 3 307.393 3.721 20 0 DHADHM COc1cc(Cc2noc(/C=C/c3cccc([O-])c3)n2)ccc1C ZINC000435946479 338253863 /nfs/dbraw/zinc/25/38/63/338253863.db2.gz KHJFVQPGGAODCL-CMDGGOBGSA-N -1 3 322.364 3.853 20 0 DHADHM COc1ccc(C)cc1Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435949376 338253903 /nfs/dbraw/zinc/25/39/03/338253903.db2.gz RJGVYWGVIOKPLN-VQHVLOKHSA-N -1 3 322.364 3.853 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1cccc([O-])c1 ZINC000435969048 338254637 /nfs/dbraw/zinc/25/46/37/338254637.db2.gz XSIFLPZAKZPOSX-RBUKOAKNSA-N -1 3 303.361 3.831 20 0 DHADHM COc1ccc(SCCCC(=O)Nc2ccccc2[O-])cc1 ZINC000436157473 338259900 /nfs/dbraw/zinc/25/99/00/338259900.db2.gz WZLCWXKRJXTPDQ-UHFFFAOYSA-N -1 3 317.410 3.912 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c1[O-] ZINC000436484655 338273892 /nfs/dbraw/zinc/27/38/92/338273892.db2.gz FCRVEJPBFKNUCK-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM O=C(NC1(C(F)F)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436508933 338274526 /nfs/dbraw/zinc/27/45/26/338274526.db2.gz BRVCRSWMVZPCCP-UHFFFAOYSA-N -1 3 319.307 3.712 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000436513471 338274653 /nfs/dbraw/zinc/27/46/53/338274653.db2.gz OEGZENWLIYUDHN-KRWDZBQOSA-N -1 3 301.361 3.967 20 0 DHADHM Cc1ccc(OCCCCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436517467 338274874 /nfs/dbraw/zinc/27/48/74/338274874.db2.gz NWCRVTXYYIPPLQ-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1nc2c(cccc2-c2noc(-c3ccc(C)c(C)c3[O-])n2)[nH]1 ZINC000436521038 338275003 /nfs/dbraw/zinc/27/50/03/338275003.db2.gz KEFYPOJWEFSYMP-UHFFFAOYSA-N -1 3 320.352 3.911 20 0 DHADHM COc1cc(-c2noc(-c3cc(F)ccc3Cl)n2)ccc1[O-] ZINC000436523109 338275088 /nfs/dbraw/zinc/27/50/88/338275088.db2.gz ZWJZFYUCACFAOG-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM COc1ccc(C(F)(F)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436534243 338275768 /nfs/dbraw/zinc/27/57/68/338275768.db2.gz WIWQQRLBSCRJBC-UHFFFAOYSA-N -1 3 318.279 3.591 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c([O-])c1 ZINC000436537277 338276019 /nfs/dbraw/zinc/27/60/19/338276019.db2.gz DOQRBUPKWMJCQT-OAHLLOKOSA-N -1 3 317.429 3.976 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000436540303 338276087 /nfs/dbraw/zinc/27/60/87/338276087.db2.gz RVWARKMYYIQXQI-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM C[C@H]1CCCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436551424 338276608 /nfs/dbraw/zinc/27/66/08/338276608.db2.gz YUPMFPGPSDXPCJ-LBPRGKRZSA-N -1 3 303.402 3.510 20 0 DHADHM COc1ccc(OC(C)C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436556864 338276803 /nfs/dbraw/zinc/27/68/03/338276803.db2.gz MKNRYLFVFWTVOS-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000436556155 338276902 /nfs/dbraw/zinc/27/69/02/338276902.db2.gz PMAJYXIOMQOYGU-JQHSSLGASA-N -1 3 307.393 3.801 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000436561028 338277140 /nfs/dbraw/zinc/27/71/40/338277140.db2.gz AUOVVQKXGJUTSW-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1C ZINC000436566269 338277423 /nfs/dbraw/zinc/27/74/23/338277423.db2.gz KZXRKYHLZDMXSV-OAHLLOKOSA-N -1 3 313.372 3.778 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c([O-])c1 ZINC000436570110 338277671 /nfs/dbraw/zinc/27/76/71/338277671.db2.gz MRICKDHVIVWLRC-UHFFFAOYSA-N -1 3 305.324 3.608 20 0 DHADHM Cc1nc(CNC(=O)c2ccc(C(C)C)cc2[O-])sc1C ZINC000436577404 338277939 /nfs/dbraw/zinc/27/79/39/338277939.db2.gz RTMLYLHSPVMXMI-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM O=C(c1ccccc1[O-])N1CCc2cc(-c3ccccc3)oc2C1 ZINC000436576313 338277982 /nfs/dbraw/zinc/27/79/82/338277982.db2.gz QHTITFUOZQWVIL-UHFFFAOYSA-N -1 3 319.360 3.851 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]1Cc1ccccc1 ZINC000436578549 338278114 /nfs/dbraw/zinc/27/81/14/338278114.db2.gz RLHHXDANBSWIGL-GOSISDBHSA-N -1 3 321.420 3.728 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000436581452 338278159 /nfs/dbraw/zinc/27/81/59/338278159.db2.gz FHKVLLJGPCGXRN-UHFFFAOYSA-N -1 3 317.429 3.691 20 0 DHADHM Cc1cnc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436587148 338278479 /nfs/dbraw/zinc/27/84/79/338278479.db2.gz VUXKRRFAJYESQW-UHFFFAOYSA-N -1 3 318.442 3.946 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1[O-] ZINC000436587533 338278523 /nfs/dbraw/zinc/27/85/23/338278523.db2.gz WYODXMVJRCZXIE-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c([O-])c1C ZINC000436589036 338278796 /nfs/dbraw/zinc/27/87/96/338278796.db2.gz JKROXBQLZXOHKJ-MRXNPFEDSA-N -1 3 317.429 3.573 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c([O-])c1C ZINC000436606364 338279619 /nfs/dbraw/zinc/27/96/19/338279619.db2.gz QTQSGAUPLWCKSN-KRWDZBQOSA-N -1 3 324.424 3.726 20 0 DHADHM Cc1ncccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605271 338279696 /nfs/dbraw/zinc/27/96/96/338279696.db2.gz FUXSVNKZJLRXPA-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCc1nnsc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614305 338280147 /nfs/dbraw/zinc/28/01/47/338280147.db2.gz WDNIQTYQWOXZEA-UHFFFAOYSA-N -1 3 324.365 3.676 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccoc3)n2)c2ccccc12 ZINC000436620698 338280303 /nfs/dbraw/zinc/28/03/03/338280303.db2.gz WIHUWTYWDJXKCQ-UHFFFAOYSA-N -1 3 306.321 3.974 20 0 DHADHM COc1c(C)cc(CN(C)C(=O)c2cc(C)ccc2[O-])cc1C ZINC000436632840 338280739 /nfs/dbraw/zinc/28/07/39/338280739.db2.gz DBCHZQQUMPGVKC-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM O=C(NCCCCF)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436643130 338281184 /nfs/dbraw/zinc/28/11/84/338281184.db2.gz WEAJXVPVSQNZFL-UHFFFAOYSA-N -1 3 303.333 3.664 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c([O-])c1 ZINC000436660406 338282044 /nfs/dbraw/zinc/28/20/44/338282044.db2.gz CKBQIVSHJFSRPM-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM Cc1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)c([O-])c1C ZINC000436672310 338282347 /nfs/dbraw/zinc/28/23/47/338282347.db2.gz NBBGFYMJHSAMNB-UHFFFAOYSA-N -1 3 318.442 3.693 20 0 DHADHM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1[O-] ZINC000436676233 338282508 /nfs/dbraw/zinc/28/25/08/338282508.db2.gz YHKIXQXDAJIMOI-UHFFFAOYSA-N -1 3 319.320 3.781 20 0 DHADHM CC1=CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436684676 338282591 /nfs/dbraw/zinc/28/25/91/338282591.db2.gz DQICEZSVAOOCOM-UHFFFAOYSA-N -1 3 321.420 3.970 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436680625 338282630 /nfs/dbraw/zinc/28/26/30/338282630.db2.gz OHTPKKWNDZVSDL-CQSZACIVSA-N -1 3 323.314 3.777 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1[O-] ZINC000436680837 338282635 /nfs/dbraw/zinc/28/26/35/338282635.db2.gz LHFQMWDVYUWMLC-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436694555 338283097 /nfs/dbraw/zinc/28/30/97/338283097.db2.gz AQYDPWDYNVUUKQ-GJZGRUSLSA-N -1 3 307.459 3.701 20 0 DHADHM CCc1cc(C)c(-c2nc(-c3ccc([O-])c(OC)c3)no2)o1 ZINC000436704994 338283553 /nfs/dbraw/zinc/28/35/53/338283553.db2.gz LXNQMTZMZCLXOZ-UHFFFAOYSA-N -1 3 300.314 3.582 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[O-])C12CCCCC2 ZINC000436719196 338284018 /nfs/dbraw/zinc/28/40/18/338284018.db2.gz OQICKNNADTWIJS-DLBZAZTESA-N -1 3 317.429 3.592 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2cccc(C)c2[O-])c1C1CC1 ZINC000436734939 338284647 /nfs/dbraw/zinc/28/46/47/338284647.db2.gz FPYPMZAEDMWLMD-LBPRGKRZSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)c([O-])c1C ZINC000436743252 338285055 /nfs/dbraw/zinc/28/50/55/338285055.db2.gz ZHYNCVJLDVXBJT-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[O-] ZINC000436747402 338285290 /nfs/dbraw/zinc/28/52/90/338285290.db2.gz ACUYONBQWIYAJT-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc3cccnc32)c1[O-] ZINC000436754456 338285567 /nfs/dbraw/zinc/28/55/67/338285567.db2.gz YXHNYNYNFSCXBB-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436753073 338285647 /nfs/dbraw/zinc/28/56/47/338285647.db2.gz ZVGROBUUBMDRMB-UHFFFAOYSA-N -1 3 313.397 3.680 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c([O-])c1 ZINC000436755773 338285743 /nfs/dbraw/zinc/28/57/43/338285743.db2.gz NNZLQUYHQXJTKI-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436759686 338286019 /nfs/dbraw/zinc/28/60/19/338286019.db2.gz DTESQECEWQYSIR-DOMZBBRYSA-N -1 3 317.429 3.756 20 0 DHADHM CC(C)(C)n1nc(-c2nc(-c3ccc([O-])cc3)no2)cc1C1CC1 ZINC000436765284 338286366 /nfs/dbraw/zinc/28/63/66/338286366.db2.gz ANPVPJXQNGZJHX-UHFFFAOYSA-N -1 3 324.384 3.938 20 0 DHADHM COc1ccc(Cl)cc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436766605 338286441 /nfs/dbraw/zinc/28/64/41/338286441.db2.gz DVOVJRHKUBENHS-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM Cc1cc(Br)oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436770851 338286800 /nfs/dbraw/zinc/28/68/00/338286800.db2.gz VEBRXAPKRVMKMN-UHFFFAOYSA-N -1 3 321.130 3.773 20 0 DHADHM COc1ccc(OC)c(/C=C\c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770946 338286833 /nfs/dbraw/zinc/28/68/33/338286833.db2.gz WDLMIAMZCLZHSX-YHYXMXQVSA-N -1 3 324.336 3.630 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3c[nH]c4ccccc34)n2)cc1 ZINC000436773010 338286897 /nfs/dbraw/zinc/28/68/97/338286897.db2.gz QAQPPIUSFDZYJS-UHFFFAOYSA-N -1 3 305.337 3.709 20 0 DHADHM CCCN(CC)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436773734 338286960 /nfs/dbraw/zinc/28/69/60/338286960.db2.gz SZARWKSYAHZFPV-UHFFFAOYSA-N -1 3 324.384 3.741 20 0 DHADHM CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436776798 338286972 /nfs/dbraw/zinc/28/69/72/338286972.db2.gz MAWLZQFUGJHPJZ-UHFFFAOYSA-N -1 3 323.352 3.704 20 0 DHADHM COc1cc(-c2noc([C@H](C)OCCC(C)C)n2)ccc1[O-] ZINC000436783806 338287121 /nfs/dbraw/zinc/28/71/21/338287121.db2.gz ITNLFNMNRUKQKN-NSHDSACASA-N -1 3 306.362 3.575 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436803717 338287912 /nfs/dbraw/zinc/28/79/12/338287912.db2.gz QVRURWNLCXYAAY-QGZVFWFLSA-N -1 3 309.409 3.802 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000436806032 338287981 /nfs/dbraw/zinc/28/79/81/338287981.db2.gz GPPIDBFHUZUQRZ-NWDGAFQWSA-N -1 3 314.291 3.992 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436803716 338288028 /nfs/dbraw/zinc/28/80/28/338288028.db2.gz QVRURWNLCXYAAY-KRWDZBQOSA-N -1 3 309.409 3.802 20 0 DHADHM CCc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n[nH]1 ZINC000436811900 338288228 /nfs/dbraw/zinc/28/82/28/338288228.db2.gz WEJARBHCALSZCL-UHFFFAOYSA-N -1 3 321.380 3.521 20 0 DHADHM Cc1cccnc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000436815677 338288241 /nfs/dbraw/zinc/28/82/41/338288241.db2.gz WVZDRMLHTPRDEX-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC000436813413 338288317 /nfs/dbraw/zinc/28/83/17/338288317.db2.gz DSUGNOUNTPFVCG-KRWDZBQOSA-N -1 3 317.429 3.547 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc(C)c(OC)c3)no2)c([O-])c1 ZINC000436835940 338289100 /nfs/dbraw/zinc/28/91/00/338289100.db2.gz BRIMHDGEDOLWBH-UHFFFAOYSA-N -1 3 324.380 3.912 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436834792 338289171 /nfs/dbraw/zinc/28/91/71/338289171.db2.gz AUCWMJXEJYJIMP-GXFFZTMASA-N -1 3 315.335 3.758 20 0 DHADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436835002 338289209 /nfs/dbraw/zinc/28/92/09/338289209.db2.gz BXPFRTFTFIELNT-ZDUSSCGKSA-N -1 3 315.413 3.534 20 0 DHADHM Cc1cccc(C(=O)NCCOc2ccccc2C(C)C)c1[O-] ZINC000436838652 338289308 /nfs/dbraw/zinc/28/93/08/338289308.db2.gz KGJWZMNHTQGEKZ-UHFFFAOYSA-N -1 3 313.397 3.633 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1ccc(CC)cc1[O-] ZINC000436839656 338289483 /nfs/dbraw/zinc/28/94/83/338289483.db2.gz OUWRURBLONPEAT-UHFFFAOYSA-N -1 3 307.434 3.624 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1[O-] ZINC000436853803 338289984 /nfs/dbraw/zinc/28/99/84/338289984.db2.gz SPWUEMJKARSCJE-UHFFFAOYSA-N -1 3 317.772 3.520 20 0 DHADHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)cc2cccnc21 ZINC000436853189 338290083 /nfs/dbraw/zinc/29/00/83/338290083.db2.gz BZVVBSKGXGRPEP-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1[O-] ZINC000436864806 338290525 /nfs/dbraw/zinc/29/05/25/338290525.db2.gz PFYUMQJUMOZVOQ-UHFFFAOYSA-N -1 3 323.801 3.582 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cnc4ccccc4c3)n2)cc1 ZINC000436869341 338290550 /nfs/dbraw/zinc/29/05/50/338290550.db2.gz KXJKJYWWMKKCCQ-UHFFFAOYSA-N -1 3 317.348 3.776 20 0 DHADHM CCOc1cc(-c2noc([C@@H](OC)[C@@H](C)CC)n2)ccc1[O-] ZINC000436869052 338290667 /nfs/dbraw/zinc/29/06/67/338290667.db2.gz CMKJBNFJWQOWGZ-HZMBPMFUSA-N -1 3 306.362 3.575 20 0 DHADHM CCOc1cc(-c2noc(C[C@@H]3CCC[C@H]3C)n2)ccc1[O-] ZINC000436871710 338290769 /nfs/dbraw/zinc/29/07/69/338290769.db2.gz KPDLSANRRQOXPV-NEPJUHHUSA-N -1 3 302.374 3.820 20 0 DHADHM COc1cc(-c2noc(-c3csc(Cl)c3)n2)ccc1[O-] ZINC000436874396 338291089 /nfs/dbraw/zinc/29/10/89/338291089.db2.gz UIZUKEGAWNRQIL-UHFFFAOYSA-N -1 3 308.746 3.833 20 0 DHADHM [O-]c1c(-c2nc(-c3ccc(O)cc3)no2)ccc2c1CCCC2 ZINC000436885288 338291797 /nfs/dbraw/zinc/29/17/97/338291797.db2.gz HICIYHLBGHVCIL-UHFFFAOYSA-N -1 3 308.337 3.694 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1[O-] ZINC000436893192 338292283 /nfs/dbraw/zinc/29/22/83/338292283.db2.gz NBJOJFDUMQROJA-UHFFFAOYSA-N -1 3 321.336 3.908 20 0 DHADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(C)c2)C12CCCCC2 ZINC000436898824 338292580 /nfs/dbraw/zinc/29/25/80/338292580.db2.gz AEFOLHPRYWLBPP-DLBZAZTESA-N -1 3 317.429 3.558 20 0 DHADHM COc1cc(-c2noc(-c3cccc(C(C)C)n3)n2)ccc1[O-] ZINC000436901519 338292626 /nfs/dbraw/zinc/29/26/26/338292626.db2.gz BPFUAUROXVXIOG-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM CCC(=O)Nc1cccc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000436900009 338292656 /nfs/dbraw/zinc/29/26/56/338292656.db2.gz AQGVIENOGFTJNC-UHFFFAOYSA-N -1 3 323.352 3.766 20 0 DHADHM Cc1cccc(-c2nc(COc3ccc(Cl)cc3)no2)c1[O-] ZINC000436900007 338292676 /nfs/dbraw/zinc/29/26/76/338292676.db2.gz APRASWKIUBPSBV-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM CCCOc1cc(F)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436906613 338292909 /nfs/dbraw/zinc/29/29/09/338292909.db2.gz WGLVDYSFDCDWIW-UHFFFAOYSA-N -1 3 303.333 3.881 20 0 DHADHM COc1ccc([O-])c(-c2nc(CCC3CCCCC3)no2)c1 ZINC000436910022 338293011 /nfs/dbraw/zinc/29/30/11/338293011.db2.gz BPMFKLUIAGPTMX-UHFFFAOYSA-N -1 3 302.374 3.964 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1[O-] ZINC000436911207 338293136 /nfs/dbraw/zinc/29/31/36/338293136.db2.gz FICJPRMZZHIAHT-UHFFFAOYSA-N -1 3 315.369 3.830 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c([O-])c1 ZINC000436912276 338293257 /nfs/dbraw/zinc/29/32/57/338293257.db2.gz SCQGPBXTKQOFAA-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[O-] ZINC000436921424 338293520 /nfs/dbraw/zinc/29/35/20/338293520.db2.gz JYJSBBZHUPFPCN-QGZVFWFLSA-N -1 3 323.396 3.704 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436925257 338293578 /nfs/dbraw/zinc/29/35/78/338293578.db2.gz JSUVRUULMWOODK-ZDUSSCGKSA-N -1 3 323.396 3.561 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000436923903 338293610 /nfs/dbraw/zinc/29/36/10/338293610.db2.gz BGFABJMTLKMFPG-PBHICJAKSA-N -1 3 319.445 3.839 20 0 DHADHM CCc1cccnc1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436935211 338294449 /nfs/dbraw/zinc/29/44/49/338294449.db2.gz NYMVXVCGWRQCPK-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM Cc1cc(C)nc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000436939101 338294620 /nfs/dbraw/zinc/29/46/20/338294620.db2.gz MBYFQIKALUDCFW-UHFFFAOYSA-N -1 3 321.380 4.000 20 0 DHADHM COc1cccc(C(=O)N(Cc2ccccc2)CC(C)C)c1[O-] ZINC000436939223 338294653 /nfs/dbraw/zinc/29/46/53/338294653.db2.gz NGYYFKVXAJLFDQ-UHFFFAOYSA-N -1 3 313.397 3.699 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1ccc([O-])c(C)c1)CCCC2 ZINC000436939591 338294830 /nfs/dbraw/zinc/29/48/30/338294830.db2.gz OZMNSZQOAUEEOP-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C)c2)c(Cl)c1 ZINC000436940702 338294880 /nfs/dbraw/zinc/29/48/80/338294880.db2.gz XVOADKNTDVZHQV-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436948076 338295357 /nfs/dbraw/zinc/29/53/57/338295357.db2.gz NVDRXZSDZRVXCV-UHFFFAOYSA-N -1 3 313.372 3.682 20 0 DHADHM Cc1ccc(C(=O)NCCC2CC(OC(C)(C)C)C2)c([O-])c1C ZINC000436952310 338295481 /nfs/dbraw/zinc/29/54/81/338295481.db2.gz WNPAKAFINJUDCJ-UHFFFAOYSA-N -1 3 319.445 3.723 20 0 DHADHM CO[C@H](c1noc(-c2ccc(C)cc2[O-])n1)c1ccc(F)cc1 ZINC000436951925 338295527 /nfs/dbraw/zinc/29/55/27/338295527.db2.gz HFOJVZLPRXKGNO-HNNXBMFYSA-N -1 3 314.316 3.626 20 0 DHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436951142 338295609 /nfs/dbraw/zinc/29/56/09/338295609.db2.gz DMSAETFZRKDMCL-LBPRGKRZSA-N -1 3 315.413 3.510 20 0 DHADHM C[C@@]1(F)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436965137 338296158 /nfs/dbraw/zinc/29/61/58/338296158.db2.gz NCXNTQWMJQOVSU-GOSISDBHSA-N -1 3 315.344 3.759 20 0 DHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000436975906 338296517 /nfs/dbraw/zinc/29/65/17/338296517.db2.gz NXTJNEWSASTTBH-GFCCVEGCSA-N -1 3 309.356 3.579 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000436983980 338296773 /nfs/dbraw/zinc/29/67/73/338296773.db2.gz XYNGCOSJUHBWLS-UONOGXRCSA-N -1 3 305.418 3.689 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)c([O-])c1 ZINC000436988399 338296844 /nfs/dbraw/zinc/29/68/44/338296844.db2.gz OZLLWZCOWJQWPN-HNNXBMFYSA-N -1 3 317.429 3.999 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCSC(C)(C)C2)c([O-])c1 ZINC000436983844 338296889 /nfs/dbraw/zinc/29/68/89/338296889.db2.gz DKVZFAZZXIQVAY-UHFFFAOYSA-N -1 3 323.458 3.539 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC(C)=C[C@@H](C)C2)c([O-])c1 ZINC000437003424 338297417 /nfs/dbraw/zinc/29/74/17/338297417.db2.gz TVWQTCIIHVCCPZ-CYBMUJFWSA-N -1 3 303.402 3.609 20 0 DHADHM CO[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC000437004896 338297451 /nfs/dbraw/zinc/29/74/51/338297451.db2.gz NXDJFAZMORTOPE-GOSISDBHSA-N -1 3 313.397 3.633 20 0 DHADHM CC(C)[C@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])cc1Cl ZINC000438617856 338350170 /nfs/dbraw/zinc/35/01/70/338350170.db2.gz GLSOFQZVXYQHKO-LBPRGKRZSA-N -1 3 323.742 3.681 20 0 DHADHM CC[C@H](C)c1cc(-c2nc(-c3ccc([O-])c(OC)c3)no2)on1 ZINC000438742167 338351492 /nfs/dbraw/zinc/35/14/92/338351492.db2.gz VVEAGILHEFODFU-VIFPVBQESA-N -1 3 315.329 3.619 20 0 DHADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)c1ccc(F)c(F)c1 ZINC000438747817 338351537 /nfs/dbraw/zinc/35/15/37/338351537.db2.gz OSFPZPRFUSNVKV-SECBINFHSA-N -1 3 302.280 3.872 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3CCCC4(CCCC4)C3)c[n-]c12 ZINC000438822296 338352504 /nfs/dbraw/zinc/35/25/04/338352504.db2.gz GVXQTYMHALJHJH-UHFFFAOYSA-N -1 3 324.424 3.633 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccccc3)C[C@H]2C)n1 ZINC000439315828 338367000 /nfs/dbraw/zinc/36/70/00/338367000.db2.gz BXQUKJTXXSBTJO-GDBMZVCRSA-N -1 3 311.429 3.513 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)CCc2cccn2C)c([O-])c1 ZINC000440150474 338383799 /nfs/dbraw/zinc/38/37/99/338383799.db2.gz MBXKNZGEPGAYJN-CQSZACIVSA-N -1 3 314.429 3.605 20 0 DHADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cc(F)ccc2F)s1 ZINC000440764966 338396624 /nfs/dbraw/zinc/39/66/24/338396624.db2.gz VZQAOEUSRFZUJO-QMMMGPOBSA-N -1 3 312.341 3.771 20 0 DHADHM CCOc1ccc(N(CC)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448674806 338429776 /nfs/dbraw/zinc/42/97/76/338429776.db2.gz ITLUPUNCTMFWFJ-UHFFFAOYSA-N -1 3 317.360 3.526 20 0 DHADHM CC(C)N(Cc1cccs1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448797134 338575252 /nfs/dbraw/zinc/57/52/52/338575252.db2.gz YEAZUQOPGKPKTN-UHFFFAOYSA-N -1 3 307.390 3.573 20 0 DHADHM COc1cccc([C@H]2C[C@H](NCc3c(F)ccc([O-])c3F)C2)c1 ZINC000449620108 338641889 /nfs/dbraw/zinc/64/18/89/338641889.db2.gz SIRHVMCTZZKWFL-JOCQHMNTSA-N -1 3 319.351 3.715 20 0 DHADHM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC000451780353 338744030 /nfs/dbraw/zinc/74/40/30/338744030.db2.gz MVEKWRAVAJJBIL-KRWDZBQOSA-N -1 3 313.372 3.576 20 0 DHADHM CCC[C@H](OC)c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000453224180 338810288 /nfs/dbraw/zinc/81/02/88/338810288.db2.gz PMUUUEPZBSSWSI-NSHDSACASA-N -1 3 316.279 3.949 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1[O-] ZINC000195743978 338914868 /nfs/dbraw/zinc/91/48/68/338914868.db2.gz ZTQVQMSOQXXTOP-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456248575 338922786 /nfs/dbraw/zinc/92/27/86/338922786.db2.gz KBPYXPZVPVUKSD-HNAYVOBHSA-N -1 3 317.404 3.501 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456248577 338922828 /nfs/dbraw/zinc/92/28/28/338922828.db2.gz KBPYXPZVPVUKSD-KXBFYZLASA-N -1 3 317.404 3.501 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456268986 338923668 /nfs/dbraw/zinc/92/36/68/338923668.db2.gz DOMLQJZBYJAJET-HKUYNNGSSA-N -1 3 311.425 3.532 20 0 DHADHM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cccc([O-])c2)CC1 ZINC000456754557 338939164 /nfs/dbraw/zinc/93/91/64/338939164.db2.gz INUZJAJGGSKYGK-UHFFFAOYSA-N -1 3 313.372 3.772 20 0 DHADHM C[C@@H](CCCc1cccnc1)NC(=O)c1cc([O-])ccc1Cl ZINC000457940495 338983488 /nfs/dbraw/zinc/98/34/88/338983488.db2.gz PLOKXADCVMBBQM-LBPRGKRZSA-N -1 3 318.804 3.582 20 0 DHADHM Cc1ccc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459280564 339018947 /nfs/dbraw/zinc/01/89/47/339018947.db2.gz NMJHVPMQDQGGLX-QGZVFWFLSA-N -1 3 309.413 3.705 20 0 DHADHM Cc1cccc([C@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459299243 339020071 /nfs/dbraw/zinc/02/00/71/339020071.db2.gz JKBIGIFHWHQDML-QGZVFWFLSA-N -1 3 309.413 3.705 20 0 DHADHM O=c1cc(CN2CCCSc3ccccc32)nc(C2CC2)[n-]1 ZINC000459301141 339020229 /nfs/dbraw/zinc/02/02/29/339020229.db2.gz JBLQNHCYFBONBV-UHFFFAOYSA-N -1 3 313.426 3.562 20 0 DHADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)ccc1F ZINC000459387307 339026453 /nfs/dbraw/zinc/02/64/53/339026453.db2.gz MZKAMYKAHRQBPZ-HNNXBMFYSA-N -1 3 319.355 3.579 20 0 DHADHM Cc1ccccc1[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000459390066 339026601 /nfs/dbraw/zinc/02/66/01/339026601.db2.gz IECTYTVLVSACOW-SFHVURJKSA-N -1 3 311.429 3.855 20 0 DHADHM [O-]c1cccc(CNC2(c3ccccc3)CC2)c1Br ZINC000459399738 339026978 /nfs/dbraw/zinc/02/69/78/339026978.db2.gz KBHGDQKUDAAGDP-UHFFFAOYSA-N -1 3 318.214 3.934 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459399631 339026994 /nfs/dbraw/zinc/02/69/94/339026994.db2.gz GOPHFWUJAYUMHQ-GFCCVEGCSA-N -1 3 323.396 3.965 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459399632 339027005 /nfs/dbraw/zinc/02/70/05/339027005.db2.gz GOPHFWUJAYUMHQ-LBPRGKRZSA-N -1 3 323.396 3.965 20 0 DHADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459433101 339029053 /nfs/dbraw/zinc/02/90/53/339029053.db2.gz BLEOLNTVWKZBIA-HNNXBMFYSA-N -1 3 317.820 3.954 20 0 DHADHM CC(C)C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459476694 339031516 /nfs/dbraw/zinc/03/15/16/339031516.db2.gz RQUQCCCFSLQKOH-KRWDZBQOSA-N -1 3 311.429 3.937 20 0 DHADHM CCOc1cc(CN2CC[C@H]2CC)cc(Br)c1[O-] ZINC000459553427 339035459 /nfs/dbraw/zinc/03/54/59/339035459.db2.gz BDXXYBVFAPPUSC-LLVKDONJSA-N -1 3 314.223 3.538 20 0 DHADHM CCN(Cc1ccncc1)Cc1cccc([O-])c1Br ZINC000459562477 339035906 /nfs/dbraw/zinc/03/59/06/339035906.db2.gz PXSKDXRZPKWXHH-UHFFFAOYSA-N -1 3 321.218 3.572 20 0 DHADHM CCOc1cc(CN2CCC[C@](C)(F)C2)cc(Cl)c1[O-] ZINC000459578012 339036941 /nfs/dbraw/zinc/03/69/41/339036941.db2.gz XKJFMIDBWJNRHJ-HNNXBMFYSA-N -1 3 301.789 3.768 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462082984 339071917 /nfs/dbraw/zinc/07/19/17/339071917.db2.gz DZRCWEJUEXCEHY-UHFFFAOYSA-N -1 3 315.382 3.624 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CCC[C@H]2C)o1 ZINC000462686028 339084144 /nfs/dbraw/zinc/08/41/44/339084144.db2.gz SUFHAGBRIUFMQJ-PXAZEXFGSA-N -1 3 319.426 3.580 20 0 DHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000462707872 339084544 /nfs/dbraw/zinc/08/45/44/339084544.db2.gz ZVAPYSATQZTAAH-GMTAPVOTSA-N -1 3 319.879 3.649 20 0 DHADHM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1cccc([O-])c1 ZINC000467850978 339247668 /nfs/dbraw/zinc/24/76/68/339247668.db2.gz LDFWDQZMJNHMCK-UHFFFAOYSA-N -1 3 319.763 3.861 20 0 DHADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000468110035 339254292 /nfs/dbraw/zinc/25/42/92/339254292.db2.gz SLICFZOQFHKDQC-UHFFFAOYSA-N -1 3 320.412 3.631 20 0 DHADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000468110035 339254293 /nfs/dbraw/zinc/25/42/93/339254293.db2.gz SLICFZOQFHKDQC-UHFFFAOYSA-N -1 3 320.412 3.631 20 0 DHADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000468110035 339254294 /nfs/dbraw/zinc/25/42/94/339254294.db2.gz SLICFZOQFHKDQC-UHFFFAOYSA-N -1 3 320.412 3.631 20 0 DHADHM Cc1oc2ccccc2c1CC(=O)N1CCCc2cccc([O-])c21 ZINC000468326067 339259808 /nfs/dbraw/zinc/25/98/08/339259808.db2.gz KMRGTDNCLRGRAE-UHFFFAOYSA-N -1 3 321.376 3.969 20 0 DHADHM Cc1cccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468414130 339262532 /nfs/dbraw/zinc/26/25/32/339262532.db2.gz FPNWSQPZXJFSAC-UHFFFAOYSA-N -1 3 315.388 3.821 20 0 DHADHM CN(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468559677 339266522 /nfs/dbraw/zinc/26/65/22/339266522.db2.gz JWCWVKCBNRFWSV-UHFFFAOYSA-N -1 3 301.361 3.513 20 0 DHADHM C[C@H]1CCC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468620052 339267122 /nfs/dbraw/zinc/26/71/22/339267122.db2.gz RYPFQNVPVANSIF-DZGCQCFKSA-N -1 3 307.409 3.797 20 0 DHADHM CC(C)CCO[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000468946684 339275651 /nfs/dbraw/zinc/27/56/51/339275651.db2.gz JGTFZDWBBJCWSN-ZIAGYGMSSA-N -1 3 305.418 3.684 20 0 DHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000468955910 339275931 /nfs/dbraw/zinc/27/59/31/339275931.db2.gz LUUXDIQMUZUOEU-KBPBESRZSA-N -1 3 307.409 3.749 20 0 DHADHM CC(C)(C)[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469019344 339277829 /nfs/dbraw/zinc/27/78/29/339277829.db2.gz RWPFPYWAVJFWNT-MRXNPFEDSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000469086516 339279758 /nfs/dbraw/zinc/27/97/58/339279758.db2.gz WTSWSPCBNDDNFA-UHFFFAOYSA-N -1 3 317.410 3.509 20 0 DHADHM CCC1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469235446 339283715 /nfs/dbraw/zinc/28/37/15/339283715.db2.gz YQEIIZTURGJJPH-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM C[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469671821 339295285 /nfs/dbraw/zinc/29/52/85/339295285.db2.gz AAUDHJIRXPBKAM-UKRRQHHQSA-N -1 3 307.409 3.939 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1ncsc1C(F)(F)F ZINC000471885514 339356710 /nfs/dbraw/zinc/35/67/10/339356710.db2.gz QECSXKPUTYBWBN-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM CCCOc1cc(C)ccc1CNCc1cc([O-])cc(F)c1 ZINC000472042633 339360320 /nfs/dbraw/zinc/36/03/20/339360320.db2.gz FAGCLAKPTINESG-UHFFFAOYSA-N -1 3 303.377 3.918 20 0 DHADHM COc1c(C)cc(CN(C)Cc2cc([O-])cc(F)c2)cc1C ZINC000473138814 339382066 /nfs/dbraw/zinc/38/20/66/339382066.db2.gz GWMBOUMEMVUWQS-UHFFFAOYSA-N -1 3 303.377 3.789 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000473650287 339389586 /nfs/dbraw/zinc/38/95/86/339389586.db2.gz RZELSKIPVIWGOW-YOEHRIQHSA-N -1 3 313.372 3.906 20 0 DHADHM O=c1ccnc(C(=Cc2ccc(F)c(F)c2)Cc2ccccc2)[n-]1 ZINC000477413613 339494349 /nfs/dbraw/zinc/49/43/49/339494349.db2.gz DBVDPHNEWUVXIS-RVDMUPIBSA-N -1 3 324.330 3.831 20 0 DHADHM Cc1ccc([O-])c(CN[C@H](CCc2ccccc2)C(F)(F)F)n1 ZINC000478256043 339511729 /nfs/dbraw/zinc/51/17/29/339511729.db2.gz MHCMRUDHGYIHOF-MRXNPFEDSA-N -1 3 324.346 3.749 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cccc2c1OCO2 ZINC000484923143 339695572 /nfs/dbraw/zinc/69/55/72/339695572.db2.gz KFMDXRLZNUTKEJ-UHFFFAOYSA-N -1 3 319.357 3.919 20 0 DHADHM CC(C=Cc1cc(=O)[n-]c(-c2ccncc2)n1)=Cc1ccccc1 ZINC000486106294 339721294 /nfs/dbraw/zinc/72/12/94/339721294.db2.gz ZSBIQVXIWXWRNO-LTUQJDJGSA-N -1 3 315.376 3.949 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)ccc1[O-] ZINC000486247523 339723921 /nfs/dbraw/zinc/72/39/21/339723921.db2.gz APCZISSCKVYEBC-UHFFFAOYSA-N -1 3 311.381 3.996 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(-c3cncnc3)cc2)ccc1[O-] ZINC000486393172 339726531 /nfs/dbraw/zinc/72/65/31/339726531.db2.gz HYSSHQBGGFMCGA-UHFFFAOYSA-N -1 3 319.364 3.664 20 0 DHADHM CCc1cc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)ccc1[O-] ZINC000486479582 339728126 /nfs/dbraw/zinc/72/81/26/339728126.db2.gz OCIXYUNIYLSPSS-UHFFFAOYSA-N -1 3 301.390 3.519 20 0 DHADHM CCc1cc(C(=O)N2CCOC3(C2)CCCCCC3)ccc1[O-] ZINC000486680731 339731156 /nfs/dbraw/zinc/73/11/56/339731156.db2.gz HVCOPOTZTHNERW-UHFFFAOYSA-N -1 3 317.429 3.520 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1COc2ccc(Cl)cc21 ZINC000489061271 339801162 /nfs/dbraw/zinc/80/11/62/339801162.db2.gz QCYNDESLWRAWSA-LLVKDONJSA-N -1 3 324.163 3.814 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(Br)o1 ZINC000492338041 339898042 /nfs/dbraw/zinc/89/80/42/339898042.db2.gz BMRYELQDDNVPGM-SOFGYWHQSA-N -1 3 322.158 3.708 20 0 DHADHM O=C(/C=C\c1cncc([O-])c1)N1CCCC[C@@H]1c1ccccc1 ZINC000492563582 339903964 /nfs/dbraw/zinc/90/39/64/339903964.db2.gz IGTKCRXSHQXCPL-HJCTWCACSA-N -1 3 308.381 3.554 20 0 DHADHM COc1ccc(/C=C\C(=O)Nc2ccc([O-])cc2F)cc1Cl ZINC000492731845 339907692 /nfs/dbraw/zinc/90/76/92/339907692.db2.gz FAQWLAPUVIYROK-CLTKARDFSA-N -1 3 321.735 3.845 20 0 DHADHM CSc1ccccc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000494483877 339950975 /nfs/dbraw/zinc/95/09/75/339950975.db2.gz OPDFEJCICBCNFJ-CYBMUJFWSA-N -1 3 321.467 3.954 20 0 DHADHM C[C@H](CC1CCCCC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000495179323 339978056 /nfs/dbraw/zinc/97/80/56/339978056.db2.gz ATMRODCDLAFGPC-GFCCVEGCSA-N -1 3 308.397 3.689 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)ccc1[O-] ZINC000496634021 340009390 /nfs/dbraw/zinc/00/93/90/340009390.db2.gz VNCDHWLNCVUVER-HNNXBMFYSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1ncc(-c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)o1 ZINC000499562608 340039500 /nfs/dbraw/zinc/03/95/00/340039500.db2.gz DGHKFMSZMXVKMF-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccc1[O-] ZINC000499594729 340040282 /nfs/dbraw/zinc/04/02/82/340040282.db2.gz GXPKOQQEESQAAA-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM Cc1cc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000500141635 340051191 /nfs/dbraw/zinc/05/11/91/340051191.db2.gz HFXXTSAMSXEOLV-UHFFFAOYSA-N -1 3 305.324 3.644 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2nc3c(ccc(F)c3F)s2)on1 ZINC000500613377 340063560 /nfs/dbraw/zinc/06/35/60/340063560.db2.gz ADYHAJSDWHGCBV-UHFFFAOYSA-N -1 3 323.324 3.938 20 0 DHADHM CCCCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000501178975 340075675 /nfs/dbraw/zinc/07/56/75/340075675.db2.gz OOHYUVCSQAMAQE-UHFFFAOYSA-N -1 3 320.776 3.872 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1 ZINC000501789953 340088770 /nfs/dbraw/zinc/08/87/70/340088770.db2.gz DITMTGRMPPMDGQ-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)c1 ZINC000501845798 340089750 /nfs/dbraw/zinc/08/97/50/340089750.db2.gz VBNPRVNQZOHEGR-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)COc2cccc(F)c2)c([O-])c1 ZINC000501945934 340091134 /nfs/dbraw/zinc/09/11/34/340091134.db2.gz KPPXUIPFZUXISD-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM CC[C@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000501968967 340091706 /nfs/dbraw/zinc/09/17/06/340091706.db2.gz ZCVPGNLRHSEXKI-JSGCOSHPSA-N -1 3 305.418 3.833 20 0 DHADHM COc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)ccc1F ZINC000502815394 340114077 /nfs/dbraw/zinc/11/40/77/340114077.db2.gz OXYWRVROUHHJQB-UHFFFAOYSA-N -1 3 304.708 3.804 20 0 DHADHM CCC[C@@H](NC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000503648174 340132824 /nfs/dbraw/zinc/13/28/24/340132824.db2.gz IQSAFPXKENCDNO-LLVKDONJSA-N -1 3 319.232 3.804 20 0 DHADHM O=C(Nc1cccc(-c2cccs2)c1)c1ccc2n[n-]nc2c1 ZINC000505882792 340180588 /nfs/dbraw/zinc/18/05/88/340180588.db2.gz JYFDVZOUTXCIQG-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM Cc1ccc(C)c(CN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000507209375 340213678 /nfs/dbraw/zinc/21/36/78/340213678.db2.gz HKBGCVLAQGLYFC-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cccc([O-])c1 ZINC000508831124 340253971 /nfs/dbraw/zinc/25/39/71/340253971.db2.gz YSOMLKNLULMRCW-UHFFFAOYSA-N -1 3 317.335 3.870 20 0 DHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc([O-])c1 ZINC000508976056 340256782 /nfs/dbraw/zinc/25/67/82/340256782.db2.gz CZORNUHDBKGCOW-HNNXBMFYSA-N -1 3 303.789 3.797 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1ccccc1OC ZINC000509037893 340259075 /nfs/dbraw/zinc/25/90/75/340259075.db2.gz LSBXQLHNELCTLT-UHFFFAOYSA-N -1 3 319.788 3.650 20 0 DHADHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc([O-])c1Cl ZINC000509083955 340260841 /nfs/dbraw/zinc/26/08/41/340260841.db2.gz NSUCNHAZPPTEMD-PXAZEXFGSA-N -1 3 317.816 3.870 20 0 DHADHM C[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000509085916 340260853 /nfs/dbraw/zinc/26/08/53/340260853.db2.gz ZTMBAMFNPPCMQH-NSHDSACASA-N -1 3 321.779 3.647 20 0 DHADHM C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509289030 340265499 /nfs/dbraw/zinc/26/54/99/340265499.db2.gz LXIZYEJKABXVLA-GFCCVEGCSA-N -1 3 315.800 3.814 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1[O-] ZINC000302657770 340278356 /nfs/dbraw/zinc/27/83/56/340278356.db2.gz SJDCKFPOZMCNMG-NSHDSACASA-N -1 3 311.337 3.638 20 0 DHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000509821627 340280451 /nfs/dbraw/zinc/28/04/51/340280451.db2.gz UTFRSDUAFARDMM-ZIAGYGMSSA-N -1 3 305.418 3.736 20 0 DHADHM COc1ccc2cc(CNC(=O)c3cccc(C)c3[O-])ccc2c1 ZINC000302983596 340292374 /nfs/dbraw/zinc/29/23/74/340292374.db2.gz UPHVHDYXHNJJDI-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3ccc(C)nc32)c1[O-] ZINC000303121842 340303676 /nfs/dbraw/zinc/30/36/76/340303676.db2.gz FWRYFWBTOYJXQT-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2ccc(F)cc2Cl)c1F ZINC000510946325 340315941 /nfs/dbraw/zinc/31/59/41/340315941.db2.gz KYBURUCYFYPUQD-UHFFFAOYSA-N -1 3 315.722 3.795 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)c([O-])c1 ZINC000303264721 340317192 /nfs/dbraw/zinc/31/71/92/340317192.db2.gz DYXMSYJOQVABJP-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM Cc1cccc(C(=O)NCCCc2c[nH]c3ccccc23)c1[O-] ZINC000303319802 340320391 /nfs/dbraw/zinc/32/03/91/340320391.db2.gz TXGSFEVUZCEOBZ-UHFFFAOYSA-N -1 3 308.381 3.545 20 0 DHADHM C[C@H](NCc1c(F)ccc([O-])c1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000511488526 340328539 /nfs/dbraw/zinc/32/85/39/340328539.db2.gz OJUBCYYLFRCGLP-FHGNATFXSA-N -1 3 319.351 3.713 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1 ZINC000512513367 340364924 /nfs/dbraw/zinc/36/49/24/340364924.db2.gz CGMOUWMBNFJPFV-MRXNPFEDSA-N -1 3 309.409 3.893 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC3(CCCCC3)O2)c1F ZINC000513187678 340396073 /nfs/dbraw/zinc/39/60/73/340396073.db2.gz FRVVWVXYAHSRKA-LBPRGKRZSA-N -1 3 311.372 3.642 20 0 DHADHM CCc1cccc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)c1[O-] ZINC000516906162 340458508 /nfs/dbraw/zinc/45/85/08/340458508.db2.gz ZEIGLOUVQZKHEU-UHFFFAOYSA-N -1 3 310.353 3.994 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H]2CCc3sc(Cl)cc32)c1 ZINC000517207942 340465582 /nfs/dbraw/zinc/46/55/82/340465582.db2.gz JSUCFQFPQZPBQP-NSHDSACASA-N -1 3 323.801 3.533 20 0 DHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000183781511 340489294 /nfs/dbraw/zinc/48/92/94/340489294.db2.gz RMNCSAPTBCAVIK-SNVBAGLBSA-N -1 3 320.186 3.897 20 0 DHADHM CC(C)COc1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000185489494 340501725 /nfs/dbraw/zinc/50/17/25/340501725.db2.gz WQQOVKDLHGMPOP-UHFFFAOYSA-N -1 3 303.377 3.856 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000185580441 340503195 /nfs/dbraw/zinc/50/31/95/340503195.db2.gz GRARTROKBVEARI-HNNXBMFYSA-N -1 3 313.294 3.795 20 0 DHADHM Cc1ccc(NC(=O)c2csc(Br)c2)c([O-])c1 ZINC000220766576 340518828 /nfs/dbraw/zinc/51/88/28/340518828.db2.gz BKMBASDHRRUIKA-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC(C)CC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189496376 340536816 /nfs/dbraw/zinc/53/68/16/340536816.db2.gz YGVZSGMLRVQTBV-UHFFFAOYSA-N -1 3 315.335 3.967 20 0 DHADHM CCc1nnsc1C(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000192169796 340563712 /nfs/dbraw/zinc/56/37/12/340563712.db2.gz QLLHGAUKCFWCLG-UHFFFAOYSA-N -1 3 324.818 3.616 20 0 DHADHM O=C(CCc1cc2ccccc2o1)NCc1ccc([O-])c(F)c1 ZINC000523424280 340623555 /nfs/dbraw/zinc/62/35/55/340623555.db2.gz LQVOSOAWELCPIG-UHFFFAOYSA-N -1 3 313.328 3.527 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000523942051 340644569 /nfs/dbraw/zinc/64/45/69/340644569.db2.gz QQGOMIHXSNHKNX-MFKMUULPSA-N -1 3 311.809 3.888 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCCC12CC2 ZINC000529439547 340755756 /nfs/dbraw/zinc/75/57/56/340755756.db2.gz QEXLXYTZXVAHCS-JTQLQIEISA-N -1 3 324.218 3.982 20 0 DHADHM O=C(NCC[C@H]1CC=CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000529871311 340772630 /nfs/dbraw/zinc/77/26/30/340772630.db2.gz YJLMMNMTGOIYAA-NSHDSACASA-N -1 3 313.319 3.887 20 0 DHADHM O=C(Nc1nc(-c2cccs2)cs1)c1c([O-])cccc1O ZINC000125604749 340805120 /nfs/dbraw/zinc/80/51/20/340805120.db2.gz HAXWLWIVDZCWGC-UHFFFAOYSA-N -1 3 318.379 3.535 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)c([O-])c1 ZINC000126353623 340826340 /nfs/dbraw/zinc/82/63/40/340826340.db2.gz GESNWJGWHZYSAZ-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM O=C(CCCc1c[nH]c2ccccc12)Nc1cccc([O-])c1F ZINC000128274795 340864806 /nfs/dbraw/zinc/86/48/06/340864806.db2.gz PTJYORNZPMRFLD-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)(C)c1ccccc1 ZINC000539105591 340873670 /nfs/dbraw/zinc/87/36/70/340873670.db2.gz KUJPCKSAJLBJJP-HNNXBMFYSA-N -1 3 321.442 3.623 20 0 DHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000128466373 340888190 /nfs/dbraw/zinc/88/81/90/340888190.db2.gz HEAZYBYKFCLFHC-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000539841363 340905450 /nfs/dbraw/zinc/90/54/50/340905450.db2.gz YAYFTLZBFAZWAS-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3nccn3C)c2)c1[O-] ZINC000539842801 340905523 /nfs/dbraw/zinc/90/55/23/340905523.db2.gz AQESCHMRXRGUBW-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM O=C(/C=C/c1ccc2ccccc2n1)Nc1cccc([O-])c1F ZINC000129438487 340960469 /nfs/dbraw/zinc/96/04/69/340960469.db2.gz PEUCNHHOSXKLCR-ZHACJKMWSA-N -1 3 308.312 3.731 20 0 DHADHM CC[C@H](C(=O)Nc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000544025209 341067100 /nfs/dbraw/zinc/06/71/00/341067100.db2.gz ADLJWWHRELMCQK-LBPRGKRZSA-N -1 3 324.302 3.938 20 0 DHADHM C[C@H]1C[C@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCO1 ZINC000545797907 341141464 /nfs/dbraw/zinc/14/14/64/341141464.db2.gz IRLYGFCSDVAOCX-SMDDNHRTSA-N -1 3 314.385 3.604 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000133039285 341152491 /nfs/dbraw/zinc/15/24/91/341152491.db2.gz YZPNIXPYTIVTHR-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c1[O-] ZINC000546660404 341177684 /nfs/dbraw/zinc/17/76/84/341177684.db2.gz IZTDLLXRVLTERO-LBPRGKRZSA-N -1 3 311.381 3.814 20 0 DHADHM CC(C)C[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000547320198 341205611 /nfs/dbraw/zinc/20/56/11/341205611.db2.gz KMFACPRCELHLKG-VIFPVBQESA-N -1 3 300.196 3.775 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000076516249 341208713 /nfs/dbraw/zinc/20/87/13/341208713.db2.gz XPURJELWFIAJGH-DZGCQCFKSA-N -1 3 313.372 3.858 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccccc2F)CC1 ZINC000076991331 341216674 /nfs/dbraw/zinc/21/66/74/341216674.db2.gz QJBGIKMOOABCGY-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM O=C(CCCc1cc(F)ccc1F)Nc1ccc([O-])cc1F ZINC000547487701 341216811 /nfs/dbraw/zinc/21/68/11/341216811.db2.gz JENKPAUXPKDOSP-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM COCc1nc(C(=O)[N-]c2ncc(C3CCCCC3)s2)co1 ZINC000547513986 341219547 /nfs/dbraw/zinc/21/95/47/341219547.db2.gz BHMGBDJOUSFPEW-UHFFFAOYSA-N -1 3 321.402 3.578 20 0 DHADHM O=C(Nc1cccc2cc[nH]c21)c1cn[n-]c1-c1ccsc1 ZINC000547720911 341228809 /nfs/dbraw/zinc/22/88/09/341228809.db2.gz PZEYMWLALGRWKI-UHFFFAOYSA-N -1 3 308.366 3.872 20 0 DHADHM O=C(Nc1cccc2cc[nH]c21)c1c[n-]nc1-c1ccsc1 ZINC000547720911 341228810 /nfs/dbraw/zinc/22/88/10/341228810.db2.gz PZEYMWLALGRWKI-UHFFFAOYSA-N -1 3 308.366 3.872 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cnc3ccc[nH]c2-3)s1 ZINC000547756087 341230559 /nfs/dbraw/zinc/23/05/59/341230559.db2.gz ITUNVUYKUMIXPP-UHFFFAOYSA-N -1 3 315.402 3.570 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[O-] ZINC000135244007 341234171 /nfs/dbraw/zinc/23/41/71/341234171.db2.gz LNNJONGDHBBKKN-ZFWWWQNUSA-N -1 3 313.372 3.858 20 0 DHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(C)c1[O-] ZINC000078228430 341238585 /nfs/dbraw/zinc/23/85/85/341238585.db2.gz ABQFQIGOJNWPQB-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCN(Cc1ccccc1Cl)C(=O)c1cc(OC)ccc1[O-] ZINC000078280891 341239590 /nfs/dbraw/zinc/23/95/90/341239590.db2.gz GPBHFEUIYGSBIT-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000079173186 341254861 /nfs/dbraw/zinc/25/48/61/341254861.db2.gz LUGQGZQJPDEJHB-INIZCTEOSA-N -1 3 315.344 3.517 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc2cc[nH]c21 ZINC000548475634 341262618 /nfs/dbraw/zinc/26/26/18/341262618.db2.gz WMUZXRJVKKGYFP-UHFFFAOYSA-N -1 3 300.745 3.708 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000549451759 341294825 /nfs/dbraw/zinc/29/48/25/341294825.db2.gz GWWAJNMSONFVIE-QGZVFWFLSA-N -1 3 307.315 3.741 20 0 DHADHM CCc1coc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000550245148 341313312 /nfs/dbraw/zinc/31/33/12/341313312.db2.gz UZRWDXQKAXZWNC-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM CCOCCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCC1 ZINC000564374427 341322823 /nfs/dbraw/zinc/32/28/23/341322823.db2.gz ZJWMKYBMKINDHM-UHFFFAOYSA-N -1 3 319.401 3.520 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1[O-] ZINC000552287027 341384315 /nfs/dbraw/zinc/38/43/15/341384315.db2.gz FVRCCCKXTYBRQS-MRXNPFEDSA-N -1 3 309.365 3.653 20 0 DHADHM O=C(COc1ccsc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000552364308 341389122 /nfs/dbraw/zinc/38/91/22/341389122.db2.gz FNSWIWYTYFVQQM-UHFFFAOYSA-N -1 3 318.181 3.778 20 0 DHADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1c([O-])cccc1Cl ZINC000552435359 341393588 /nfs/dbraw/zinc/39/35/88/341393588.db2.gz CFWRXBCTUDBXAI-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM O=C(CCCOc1ccccc1)Nc1c([O-])cccc1Cl ZINC000552435729 341393663 /nfs/dbraw/zinc/39/36/63/341393663.db2.gz WSYJPSOTVMJBIB-UHFFFAOYSA-N -1 3 305.761 3.843 20 0 DHADHM O=C(COc1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000552783125 341404254 /nfs/dbraw/zinc/40/42/54/341404254.db2.gz DTWYRHGWCOHECB-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000552830545 341405747 /nfs/dbraw/zinc/40/57/47/341405747.db2.gz GPZGGYWEWLDEIS-UHFFFAOYSA-N -1 3 311.385 3.609 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000564551641 341503771 /nfs/dbraw/zinc/50/37/71/341503771.db2.gz DVKIOOAWBXEHLS-UHFFFAOYSA-N -1 3 311.447 3.653 20 0 DHADHM c1cc2cc(-c3nc(-c4ccc5n[n-]nc5c4)no3)ccc2s1 ZINC000564862978 341511704 /nfs/dbraw/zinc/51/17/04/341511704.db2.gz UYDNKIJLCGTEPQ-UHFFFAOYSA-N -1 3 319.349 3.890 20 0 DHADHM Cc1cccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC000565254662 341521580 /nfs/dbraw/zinc/52/15/80/341521580.db2.gz OMGSVXOYMYMRKR-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1-c1cc(C)ccc1C ZINC000154656151 341593296 /nfs/dbraw/zinc/59/32/96/341593296.db2.gz UWEKNGOZSHUPAT-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C(CCc1cccc(F)c1F)N1CCCc2cccc([O-])c21 ZINC000155569210 341609438 /nfs/dbraw/zinc/60/94/38/341609438.db2.gz XBFGDLCWIIULNL-UHFFFAOYSA-N -1 3 317.335 3.582 20 0 DHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000569016217 341688351 /nfs/dbraw/zinc/68/83/51/341688351.db2.gz VWVDZFQRCXKKNQ-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM O=C([O-])c1ccc(Br)cc1CN1CCCCCC1 ZINC000573927505 341743551 /nfs/dbraw/zinc/74/35/51/341743551.db2.gz NYULTDFZYOUAFA-UHFFFAOYSA-N -1 3 312.207 3.523 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@](F)(c2ccccc2)C1 ZINC000573943019 341743856 /nfs/dbraw/zinc/74/38/56/341743856.db2.gz OSFKYHITJZTNBU-QGZVFWFLSA-N -1 3 319.763 3.757 20 0 DHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1cc(F)ccc1[O-] ZINC000174872988 341832600 /nfs/dbraw/zinc/83/26/00/341832600.db2.gz WJJZFHOBKBYFKY-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)cc1[O-] ZINC000175146692 341835273 /nfs/dbraw/zinc/83/52/73/341835273.db2.gz BOVVQWNCHFZAIC-OAHLLOKOSA-N -1 3 303.333 3.636 20 0 DHADHM Cc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000176440121 341875572 /nfs/dbraw/zinc/87/55/72/341875572.db2.gz CGOQYCSKFXPJHM-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000577240731 341899723 /nfs/dbraw/zinc/89/97/23/341899723.db2.gz UNZRAWVMPUYJLQ-HNNXBMFYSA-N -1 3 311.381 3.711 20 0 DHADHM CC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000577255902 341900483 /nfs/dbraw/zinc/90/04/83/341900483.db2.gz WXQQTNQHYGDIFS-PKNBQFBNSA-N -1 3 303.325 3.568 20 0 DHADHM CC1(C)CCC[C@H](CN[C@@H](C(=O)[O-])c2c(F)cccc2F)C1 ZINC000577339157 341904919 /nfs/dbraw/zinc/90/49/19/341904919.db2.gz QSWHTUVCPPJCGT-XHDPSFHLSA-N -1 3 311.372 3.897 20 0 DHADHM CC(=Cc1cc([O-])cc(F)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000349050971 341962225 /nfs/dbraw/zinc/96/22/25/341962225.db2.gz JGBGORVIROIUKU-XBXARRHUSA-N -1 3 302.330 3.802 20 0 DHADHM CC(C)CC[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188973740 519681636 /nfs/dbraw/zinc/68/16/36/519681636.db2.gz UUPAAPUVMCYBRH-SNVBAGLBSA-N -1 3 303.324 3.966 20 0 DHADHM CC(C)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000265341442 519824920 /nfs/dbraw/zinc/82/49/20/519824920.db2.gz VCFSIGLQZMIPEP-AWEZNQCLSA-N -1 3 312.413 3.839 20 0 DHADHM CCOCc1nnc([N-]Cc2cc(-c3ccccc3)cs2)o1 ZINC000181847797 520226196 /nfs/dbraw/zinc/22/61/96/520226196.db2.gz CMLZUOAWZSCDTL-UHFFFAOYSA-N -1 3 315.398 3.947 20 0 DHADHM CCCOc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000339155920 520462367 /nfs/dbraw/zinc/46/23/67/520462367.db2.gz SDTYYVXDUSPBPJ-UHFFFAOYSA-N -1 3 322.368 3.513 20 0 DHADHM CCCOc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000339155920 520462374 /nfs/dbraw/zinc/46/23/74/520462374.db2.gz SDTYYVXDUSPBPJ-UHFFFAOYSA-N -1 3 322.368 3.513 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2coc(C3CCCC3)n2)cc1F ZINC000337970973 522578670 /nfs/dbraw/zinc/57/86/70/522578670.db2.gz KVQSPLRUAHWEDO-UHFFFAOYSA-N -1 3 322.311 3.871 20 0 DHADHM COc1ccc(-c2csc3[n-]c(CSC)nc(=O)c23)cc1 ZINC000105653913 523172662 /nfs/dbraw/zinc/17/26/62/523172662.db2.gz UNEPXXJDGKILDG-UHFFFAOYSA-N -1 3 318.423 3.523 20 0 DHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC(C)(C)CC1 ZINC000268046827 523923609 /nfs/dbraw/zinc/92/36/09/523923609.db2.gz MRSSJOZOAROGPX-UHFFFAOYSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000182907242 524461917 /nfs/dbraw/zinc/46/19/17/524461917.db2.gz HHJJBPIHAOMXDY-CQSZACIVSA-N -1 3 323.392 3.966 20 0 DHADHM Cc1cc(C=C2CCN(Cc3cc([O-])cc(F)c3)CC2)no1 ZINC000364225837 524609849 /nfs/dbraw/zinc/60/98/49/524609849.db2.gz JCHPKMJXBYQCHE-UHFFFAOYSA-N -1 3 302.349 3.507 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154847735 525230407 /nfs/dbraw/zinc/23/04/07/525230407.db2.gz HUVBFGQVMCNZBG-UHFFFAOYSA-N -1 3 310.328 3.536 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C(F)(F)F)cn2)n1 ZINC000155904701 525346965 /nfs/dbraw/zinc/34/69/65/525346965.db2.gz HDGHGURSOSNLCC-MRVPVSSYSA-N -1 3 315.320 3.758 20 0 DHADHM CC(C)(C)c1nc2cc(NC([O-])=NOC/C=C/Cl)ccc2o1 ZINC000289563233 534905649 /nfs/dbraw/zinc/90/56/49/534905649.db2.gz LDPVQZCMZCXYQZ-QPJJXVBHSA-N -1 3 323.780 3.931 20 0 DHADHM CC(C)(C)c1nc2cc(NC(=O)[N-]OC/C=C/Cl)ccc2o1 ZINC000289563233 534905657 /nfs/dbraw/zinc/90/56/57/534905657.db2.gz LDPVQZCMZCXYQZ-QPJJXVBHSA-N -1 3 323.780 3.931 20 0 DHADHM Cc1ccc2c(CN3CCc4sccc4C3)ccc([O-])c2n1 ZINC000338231043 526128535 /nfs/dbraw/zinc/12/85/35/526128535.db2.gz MJNCGAQYRMFQEJ-UHFFFAOYSA-N -1 3 310.422 3.869 20 0 DHADHM [O-]c1cccc(CNCC2(c3ccccn3)CCC2)c1Cl ZINC000339397940 526358380 /nfs/dbraw/zinc/35/83/80/526358380.db2.gz OHKNGTCIGSHRPN-UHFFFAOYSA-N -1 3 302.805 3.652 20 0 DHADHM O=C(CCCCCc1cccs1)[N-]OCCC(F)(F)F ZINC000162794426 526426065 /nfs/dbraw/zinc/42/60/65/526426065.db2.gz JRUMFEASXKLABA-UHFFFAOYSA-N -1 3 309.353 3.851 20 0 DHADHM Cc1noc([N-]C(=O)COc2ccccc2C(C)(C)C)c1C ZINC000267090253 526638336 /nfs/dbraw/zinc/63/83/36/526638336.db2.gz LVBTVNWNCHVTEW-UHFFFAOYSA-N -1 3 302.374 3.606 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000163758601 526685651 /nfs/dbraw/zinc/68/56/51/526685651.db2.gz ZXKZTQQYWXRJPO-CQSZACIVSA-N -1 3 320.389 3.640 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000182523771 526769798 /nfs/dbraw/zinc/76/97/98/526769798.db2.gz CLQLABMPYQHRSS-CQSZACIVSA-N -1 3 313.422 3.647 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000364268581 526769845 /nfs/dbraw/zinc/76/98/45/526769845.db2.gz FVNFWZZJGSAQTM-UHFFFAOYSA-N -1 3 315.319 3.600 20 0 DHADHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(-c2cccs2)c1 ZINC000189545938 526846177 /nfs/dbraw/zinc/84/61/77/526846177.db2.gz YXXVCFHBPULDDG-GFCCVEGCSA-N -1 3 318.398 3.505 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cccc(Cl)n1 ZINC000109110328 527503115 /nfs/dbraw/zinc/50/31/15/527503115.db2.gz HTCOGEJEDXDHLJ-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000297794550 534929640 /nfs/dbraw/zinc/92/96/40/534929640.db2.gz JRCUPCWSUKLPMG-UHFFFAOYSA-N -1 3 317.366 3.623 20 0 DHADHM CC[C@@H]1C[C@H](CC(=O)N2CC[C@H](C)c3cccc([O-])c32)CCO1 ZINC000274380792 535893189 /nfs/dbraw/zinc/89/31/89/535893189.db2.gz MYEPKAACOFSWDF-RRFJBIMHSA-N -1 3 317.429 3.828 20 0 DHADHM COc1ccc2cc(NC([O-])=NOC3CCCC3)ccc2c1 ZINC000287072852 537037789 /nfs/dbraw/zinc/03/77/89/537037789.db2.gz BMKOTFCKIQCZDE-UHFFFAOYSA-N -1 3 300.358 3.844 20 0 DHADHM COc1ccc2cc(NC(=O)[N-]OC3CCCC3)ccc2c1 ZINC000287072852 537037792 /nfs/dbraw/zinc/03/77/92/537037792.db2.gz BMKOTFCKIQCZDE-UHFFFAOYSA-N -1 3 300.358 3.844 20 0 DHADHM Fc1ccc(NCc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737655735 598859071 /nfs/dbraw/zinc/85/90/71/598859071.db2.gz FSTNOZUBSWOTSH-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(NCc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737655735 598859072 /nfs/dbraw/zinc/85/90/72/598859072.db2.gz FSTNOZUBSWOTSH-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(SCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737656018 599024301 /nfs/dbraw/zinc/02/43/01/599024301.db2.gz FYBOLGAISFPACV-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(SCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737656018 599024302 /nfs/dbraw/zinc/02/43/02/599024302.db2.gz FYBOLGAISFPACV-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCc1ccccc1 ZINC000737644723 599065739 /nfs/dbraw/zinc/06/57/39/599065739.db2.gz KZGFFWPHGXMHBY-UHFFFAOYSA-N -1 3 314.389 3.731 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCc1ccccc1 ZINC000737644723 599065741 /nfs/dbraw/zinc/06/57/41/599065741.db2.gz KZGFFWPHGXMHBY-UHFFFAOYSA-N -1 3 314.389 3.731 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000818051862 597245751 /nfs/dbraw/zinc/24/57/51/597245751.db2.gz AXFDRIIZZWEXSM-ZDUSSCGKSA-N -1 3 306.365 3.784 20 0 DHADHM C[C@@H](Sc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193953 599287741 /nfs/dbraw/zinc/28/77/41/599287741.db2.gz VLZGPVFLPABEPM-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193953 599287743 /nfs/dbraw/zinc/28/77/43/599287743.db2.gz VLZGPVFLPABEPM-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccc(-c3cccnc3)cc2)c1 ZINC000821552692 598204580 /nfs/dbraw/zinc/20/45/80/598204580.db2.gz OZCVXJMKQZBMPC-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM CSCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737182799 598458860 /nfs/dbraw/zinc/45/88/60/598458860.db2.gz UQKFXSJRAVWGNJ-UHFFFAOYSA-N -1 3 315.377 3.612 20 0 DHADHM CSCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737182799 598458862 /nfs/dbraw/zinc/45/88/62/598458862.db2.gz UQKFXSJRAVWGNJ-UHFFFAOYSA-N -1 3 315.377 3.612 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](C)CC(C)C)s1 ZINC000736679059 598494596 /nfs/dbraw/zinc/49/45/96/598494596.db2.gz JSRADCXPITZYFL-SNVBAGLBSA-N -1 3 321.450 3.501 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735762240 598494509 /nfs/dbraw/zinc/49/45/09/598494509.db2.gz VINKMVOJUNNTBU-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735762240 598494511 /nfs/dbraw/zinc/49/45/11/598494511.db2.gz VINKMVOJUNNTBU-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](C)CC(C)C)s1 ZINC000736679059 598494595 /nfs/dbraw/zinc/49/45/95/598494595.db2.gz JSRADCXPITZYFL-SNVBAGLBSA-N -1 3 321.450 3.501 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000736140663 598636273 /nfs/dbraw/zinc/63/62/73/598636273.db2.gz YXJHGRFEYKVKFH-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000736140663 598636275 /nfs/dbraw/zinc/63/62/75/598636275.db2.gz YXJHGRFEYKVKFH-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM Clc1ccc(N[C@@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737573074 598791698 /nfs/dbraw/zinc/79/16/98/598791698.db2.gz FCEKOWYJSISDFM-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1ccc(N[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737573074 598791697 /nfs/dbraw/zinc/79/16/97/598791697.db2.gz FCEKOWYJSISDFM-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM Cc1ccc(CN(C)c2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000737341082 598796080 /nfs/dbraw/zinc/79/60/80/598796080.db2.gz KCVMIPZSYKQUJY-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM Cc1ccc(CN(C)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000737341082 598796082 /nfs/dbraw/zinc/79/60/82/598796082.db2.gz KCVMIPZSYKQUJY-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM CCCN(c1ncccc1-c1nnn[n-]1)[C@@H](CC)c1ccccc1 ZINC000736481087 598815297 /nfs/dbraw/zinc/81/52/97/598815297.db2.gz SWAVUSKZFARDCV-INIZCTEOSA-N -1 3 322.416 3.629 20 0 DHADHM CCCN(c1ncccc1-c1nn[n-]n1)[C@@H](CC)c1ccccc1 ZINC000736481087 598815300 /nfs/dbraw/zinc/81/53/00/598815300.db2.gz SWAVUSKZFARDCV-INIZCTEOSA-N -1 3 322.416 3.629 20 0 DHADHM C[C@@H]1CCCC[C@H]1OCCSc1ccccc1-c1nnn[n-]1 ZINC000820703276 599344545 /nfs/dbraw/zinc/34/45/45/599344545.db2.gz DMSMMDJUQWKGJJ-TZMCWYRMSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H]1CCCC[C@H]1OCCSc1ccccc1-c1nn[n-]n1 ZINC000820703276 599344547 /nfs/dbraw/zinc/34/45/47/599344547.db2.gz DMSMMDJUQWKGJJ-TZMCWYRMSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736065898 599415990 /nfs/dbraw/zinc/41/59/90/599415990.db2.gz HMQFRSAAMNCVHL-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736065898 599415991 /nfs/dbraw/zinc/41/59/91/599415991.db2.gz HMQFRSAAMNCVHL-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737182260 599441155 /nfs/dbraw/zinc/44/11/55/599441155.db2.gz YJHGPFHBSQZRDC-WDEREUQCSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737182260 599441159 /nfs/dbraw/zinc/44/11/59/599441159.db2.gz YJHGPFHBSQZRDC-WDEREUQCSA-N -1 3 323.853 3.606 20 0 DHADHM CCc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821482200 599464411 /nfs/dbraw/zinc/46/44/11/599464411.db2.gz RGGDFLQITZSBGD-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821482200 599464409 /nfs/dbraw/zinc/46/44/09/599464409.db2.gz RGGDFLQITZSBGD-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1ccc(CN(C)c2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000822237121 599524303 /nfs/dbraw/zinc/52/43/03/599524303.db2.gz GBXJTYCEQQOABE-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM Cc1ccc(CN(C)c2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000822237121 599524306 /nfs/dbraw/zinc/52/43/06/599524306.db2.gz GBXJTYCEQQOABE-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822196778 599544904 /nfs/dbraw/zinc/54/49/04/599544904.db2.gz WXVUQMFUGHBACI-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822196778 599544906 /nfs/dbraw/zinc/54/49/06/599544906.db2.gz WXVUQMFUGHBACI-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000738773843 599792193 /nfs/dbraw/zinc/79/21/93/599792193.db2.gz XUOILJNSSGCZRB-HNNXBMFYSA-N -1 3 323.314 3.929 20 0 DHADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736717604 600082596 /nfs/dbraw/zinc/08/25/96/600082596.db2.gz OBNISMFMFZKQEK-NSHDSACASA-N -1 3 305.324 3.856 20 0 DHADHM CC[C@](NCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000041753512 600131158 /nfs/dbraw/zinc/13/11/58/600131158.db2.gz DVECYOYDXNMPJD-QGZVFWFLSA-N -1 3 303.789 3.820 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000738963107 600412481 /nfs/dbraw/zinc/41/24/81/600412481.db2.gz HAYHQLFYGILFJF-MRXNPFEDSA-N -1 3 317.410 3.576 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000739508174 600428606 /nfs/dbraw/zinc/42/86/06/600428606.db2.gz MAMPGGWKAZXGLG-JKSUJKDBSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1ccc(-c2nc(CNC3(C(=O)[O-])CCCCC3)co2)cc1 ZINC000738491437 600460252 /nfs/dbraw/zinc/46/02/52/600460252.db2.gz YKEAUTSNMZSEOH-UHFFFAOYSA-N -1 3 314.385 3.527 20 0 DHADHM Cc1cccnc1[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000738786310 600555935 /nfs/dbraw/zinc/55/59/35/600555935.db2.gz MGLYLMLYDBCHBK-WBVHZDCISA-N -1 3 316.376 3.642 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1ccc2ccccc2n1 ZINC000822741533 607455469 /nfs/dbraw/zinc/45/54/69/607455469.db2.gz YKACEZWKIIGTGB-VQHVLOKHSA-N -1 3 317.327 3.724 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1ccc2ccccc2n1 ZINC000822741533 607455470 /nfs/dbraw/zinc/45/54/70/607455470.db2.gz YKACEZWKIIGTGB-VQHVLOKHSA-N -1 3 317.327 3.724 20 0 DHADHM Cc1cc(CN(C)CCc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000738382940 600643777 /nfs/dbraw/zinc/64/37/77/600643777.db2.gz QFEZQPFHPRSGFU-UHFFFAOYSA-N -1 3 307.777 3.614 20 0 DHADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000827717146 600746478 /nfs/dbraw/zinc/74/64/78/600746478.db2.gz DIFJRZUCHUUXKI-ONGXEEELSA-N -1 3 317.216 3.786 20 0 DHADHM Cc1cc(C)cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832875960 600747722 /nfs/dbraw/zinc/74/77/22/600747722.db2.gz ZLZVLTJCIQQWFF-CXAGYDPISA-N -1 3 301.361 3.919 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000577226549 600973009 /nfs/dbraw/zinc/97/30/09/600973009.db2.gz LSENFYWSPKQRLO-CVEARBPZSA-N -1 3 321.417 3.538 20 0 DHADHM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000652429722 601118096 /nfs/dbraw/zinc/11/80/96/601118096.db2.gz OVLIXPCUHZYNNS-ABAIWWIYSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000277457527 601203310 /nfs/dbraw/zinc/20/33/10/601203310.db2.gz VLEYVIAIAMEYIL-YGRLFVJLSA-N -1 3 309.818 3.953 20 0 DHADHM Cc1nc(C)c(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000566510366 601432740 /nfs/dbraw/zinc/43/27/40/601432740.db2.gz PLAOKGSKFUKYCP-CABCVRRESA-N -1 3 322.474 3.615 20 0 DHADHM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H]1C ZINC000828295504 601450852 /nfs/dbraw/zinc/45/08/52/601450852.db2.gz ISZKOTTZBLPAKV-NEPJUHHUSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000828461936 601538674 /nfs/dbraw/zinc/53/86/74/601538674.db2.gz FODMDJDQDLAVGK-TXEJJXNPSA-N -1 3 316.426 3.596 20 0 DHADHM Cc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832951188 601642182 /nfs/dbraw/zinc/64/21/82/601642182.db2.gz RJRLSYZMTVDESF-HNNXBMFYSA-N -1 3 321.323 3.512 20 0 DHADHM CSc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000832774629 601644249 /nfs/dbraw/zinc/64/42/49/601644249.db2.gz UDELSYRTXBIJDP-MRXNPFEDSA-N -1 3 301.411 3.632 20 0 DHADHM CCc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])o1 ZINC000565662471 601827667 /nfs/dbraw/zinc/82/76/67/601827667.db2.gz BORFBTGCRXGNNM-ZDUSSCGKSA-N -1 3 305.399 3.939 20 0 DHADHM Cn1cccc1[C@H]1CCCCN1Cc1ccsc1C(=O)[O-] ZINC000833059214 601839158 /nfs/dbraw/zinc/83/91/58/601839158.db2.gz LLGMDOOYXLUJDY-CQSZACIVSA-N -1 3 304.415 3.512 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1ncc(-c2cccc(Cl)c2)o1 ZINC000828672513 602216846 /nfs/dbraw/zinc/21/68/46/602216846.db2.gz SSZSXRZTHRVFNE-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccc(Cl)cc2)n1 ZINC000828665009 602217927 /nfs/dbraw/zinc/21/79/27/602217927.db2.gz NGKLKFVFROAHEU-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM C[C@H](c1ccccc1Cl)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739025469 602444659 /nfs/dbraw/zinc/44/46/59/602444659.db2.gz KBSHREUVQSDVKJ-NWDGAFQWSA-N -1 3 310.825 3.769 20 0 DHADHM C[C@H](Oc1ccc(CN(C)[C@@H](C)c2cccs2)cc1)C(=O)[O-] ZINC000833537736 604541906 /nfs/dbraw/zinc/54/19/06/604541906.db2.gz OKEKDSYQLRWQFD-STQMWFEESA-N -1 3 319.426 3.793 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)Cc2ccccc2C(=O)[O-])s1 ZINC000833672859 604661499 /nfs/dbraw/zinc/66/14/99/604661499.db2.gz FDIHQQVSOCHZJI-LBPRGKRZSA-N -1 3 318.442 3.905 20 0 DHADHM CC1(C)CC[C@@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000828060198 604997250 /nfs/dbraw/zinc/99/72/50/604997250.db2.gz KNDAVLHRCKBEPB-SJORKVTESA-N -1 3 310.397 3.610 20 0 DHADHM CCOc1ccc([C@@H](C)NCc2ccsc2C(=O)[O-])cc1 ZINC000833662804 605067440 /nfs/dbraw/zinc/06/74/40/605067440.db2.gz BVZZPPRWXOFHGU-LLVKDONJSA-N -1 3 305.399 3.696 20 0 DHADHM CCCOc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000833651837 605086534 /nfs/dbraw/zinc/08/65/34/605086534.db2.gz COFWQRAAHPCXIH-GFCCVEGCSA-N -1 3 303.358 3.617 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@@](C)(CC)c1ccccc1 ZINC000833678240 605136582 /nfs/dbraw/zinc/13/65/82/605136582.db2.gz LIVIILHAIZAUJD-SFHVURJKSA-N -1 3 301.386 3.955 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000833412987 605180264 /nfs/dbraw/zinc/18/02/64/605180264.db2.gz GCXRKHAUIMVYSP-LBPRGKRZSA-N -1 3 324.833 3.738 20 0 DHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C(=O)[O-] ZINC000833604319 605730730 /nfs/dbraw/zinc/73/07/30/605730730.db2.gz DREYDGYPTQYRFL-CMPLNLGQSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cc2ccccc2s1 ZINC000820455741 606076791 /nfs/dbraw/zinc/07/67/91/606076791.db2.gz NAUIYKCMZOZKFT-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cc2ccccc2s1 ZINC000820455741 606076796 /nfs/dbraw/zinc/07/67/96/606076796.db2.gz NAUIYKCMZOZKFT-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM Cc1cccc(Cl)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822303780 606638951 /nfs/dbraw/zinc/63/89/51/606638951.db2.gz IZBVKYJLQMNWHO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(Cl)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822303780 606638952 /nfs/dbraw/zinc/63/89/52/606638952.db2.gz IZBVKYJLQMNWHO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(Cl)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822303557 606638957 /nfs/dbraw/zinc/63/89/57/606638957.db2.gz FJJXOKUMRDCCKO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(Cl)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822303557 606638958 /nfs/dbraw/zinc/63/89/58/606638958.db2.gz FJJXOKUMRDCCKO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CC(C)(C)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819958141 606641328 /nfs/dbraw/zinc/64/13/28/606641328.db2.gz JMVOXTUAMPDDAS-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819958141 606641329 /nfs/dbraw/zinc/64/13/29/606641329.db2.gz JMVOXTUAMPDDAS-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC[C@H](C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881628 606663525 /nfs/dbraw/zinc/66/35/25/606663525.db2.gz CBQYLWXTAGADBS-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM CC[C@H](C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881628 606663526 /nfs/dbraw/zinc/66/35/26/606663526.db2.gz CBQYLWXTAGADBS-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM Fc1ccc(CNc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000822772161 606926201 /nfs/dbraw/zinc/92/62/01/606926201.db2.gz RIQWXAMAJUBKIG-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(CNc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000822772161 606926202 /nfs/dbraw/zinc/92/62/02/606926202.db2.gz RIQWXAMAJUBKIG-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822782749 607007212 /nfs/dbraw/zinc/00/72/12/607007212.db2.gz FHYWWSGCWYKEEK-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822782749 607007215 /nfs/dbraw/zinc/00/72/15/607007215.db2.gz FHYWWSGCWYKEEK-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM C[C@@H]1CCCC[C@H]1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000820703385 607014954 /nfs/dbraw/zinc/01/49/54/607014954.db2.gz FIXDELRREGLZAP-IUODEOHRSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H]1CCCC[C@H]1OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000820703385 607014955 /nfs/dbraw/zinc/01/49/55/607014955.db2.gz FIXDELRREGLZAP-IUODEOHRSA-N -1 3 318.446 3.554 20 0 DHADHM FC1(F)CCC(Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826370560 608053006 /nfs/dbraw/zinc/05/30/06/608053006.db2.gz YNBVMLMXFPEDJE-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826370560 608053007 /nfs/dbraw/zinc/05/30/07/608053007.db2.gz YNBVMLMXFPEDJE-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM Cc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826267545 608101286 /nfs/dbraw/zinc/10/12/86/608101286.db2.gz KJIVUEGFLWGTQC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824229133 608182783 /nfs/dbraw/zinc/18/27/83/608182783.db2.gz OEWLNIRERYKIRA-LBPRGKRZSA-N -1 3 316.405 3.543 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824229133 608182784 /nfs/dbraw/zinc/18/27/84/608182784.db2.gz OEWLNIRERYKIRA-LBPRGKRZSA-N -1 3 316.405 3.543 20 0 DHADHM C[C@H](Nc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656494 608218053 /nfs/dbraw/zinc/21/80/53/608218053.db2.gz KVHDGSWINNCBHO-LBPRGKRZSA-N -1 3 305.385 3.917 20 0 DHADHM C[C@H](Nc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656494 608218055 /nfs/dbraw/zinc/21/80/55/608218055.db2.gz KVHDGSWINNCBHO-LBPRGKRZSA-N -1 3 305.385 3.917 20 0 DHADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232241 608417721 /nfs/dbraw/zinc/41/77/21/608417721.db2.gz KDPHXJGBCAAQPR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1Cl ZINC000826232241 608417722 /nfs/dbraw/zinc/41/77/22/608417722.db2.gz KDPHXJGBCAAQPR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000826317380 608886510 /nfs/dbraw/zinc/88/65/10/608886510.db2.gz APTBOUMIJVARAN-MRVPVSSYSA-N -1 3 321.793 3.670 20 0 DHADHM Cc1cnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000826317380 608886511 /nfs/dbraw/zinc/88/65/11/608886511.db2.gz APTBOUMIJVARAN-MRVPVSSYSA-N -1 3 321.793 3.670 20 0 DHADHM C[C@H](Nc1cccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824663073 609160744 /nfs/dbraw/zinc/16/07/44/609160744.db2.gz VOMYESCDSOYGGM-ZDUSSCGKSA-N -1 3 319.412 3.919 20 0 DHADHM C[C@H](Nc1cccc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824663073 609160746 /nfs/dbraw/zinc/16/07/46/609160746.db2.gz VOMYESCDSOYGGM-ZDUSSCGKSA-N -1 3 319.412 3.919 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825717178 609160830 /nfs/dbraw/zinc/16/08/30/609160830.db2.gz IIWNKEWHSZIXBZ-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825717178 609160831 /nfs/dbraw/zinc/16/08/31/609160831.db2.gz IIWNKEWHSZIXBZ-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM C[C@@H](Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663060 609183310 /nfs/dbraw/zinc/18/33/10/609183310.db2.gz VOKTYHJPSBCJDV-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663060 609183311 /nfs/dbraw/zinc/18/33/11/609183311.db2.gz VOKTYHJPSBCJDV-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(F)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826289503 609255297 /nfs/dbraw/zinc/25/52/97/609255297.db2.gz CSGAFUJMMRXOCG-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(F)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826289503 609255299 /nfs/dbraw/zinc/25/52/99/609255299.db2.gz CSGAFUJMMRXOCG-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM CCc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700754 609314562 /nfs/dbraw/zinc/31/45/62/609314562.db2.gz REQGZJPTOMURDU-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700754 609314564 /nfs/dbraw/zinc/31/45/64/609314564.db2.gz REQGZJPTOMURDU-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825723304 609346167 /nfs/dbraw/zinc/34/61/67/609346167.db2.gz XBNJIFQEUUYQTR-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825723304 609346169 /nfs/dbraw/zinc/34/61/69/609346169.db2.gz XBNJIFQEUUYQTR-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826289582 609350308 /nfs/dbraw/zinc/35/03/08/609350308.db2.gz GFDBFTCNPWRAKN-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826289582 609350310 /nfs/dbraw/zinc/35/03/10/609350310.db2.gz GFDBFTCNPWRAKN-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1nc(C)c(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000646900219 1013059152 /nfs/dbraw/zinc/05/91/52/1013059152.db2.gz FPZVJGHNIWYOLZ-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM Cc1c2ccccc2oc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822029298 945955166 /nfs/dbraw/zinc/95/51/66/945955166.db2.gz XBSMYZAQOKAEKG-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1c2ccccc2oc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822029298 945955170 /nfs/dbraw/zinc/95/51/70/945955170.db2.gz XBSMYZAQOKAEKG-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)nc2cc(F)ccc12 ZINC000826242962 947720599 /nfs/dbraw/zinc/72/05/99/947720599.db2.gz NVPCIPKGQMOKGA-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)nc2cc(F)ccc12 ZINC000826242962 947720610 /nfs/dbraw/zinc/72/06/10/947720610.db2.gz NVPCIPKGQMOKGA-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1csc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320926 947938757 /nfs/dbraw/zinc/93/87/57/947938757.db2.gz KMDNIHFWLFBSQF-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1csc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320926 947938767 /nfs/dbraw/zinc/93/87/67/947938767.db2.gz KMDNIHFWLFBSQF-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000328349443 971465396 /nfs/dbraw/zinc/46/53/96/971465396.db2.gz RYCMBTLUFBTWEQ-BBRMVZONSA-N -1 3 303.402 3.548 20 0 DHADHM C[C@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001576166484 949580017 /nfs/dbraw/zinc/58/00/17/949580017.db2.gz MKMXPDXDLDSNNX-WCQYABFASA-N -1 3 314.437 3.550 20 0 DHADHM C[C@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001576166484 949580039 /nfs/dbraw/zinc/58/00/39/949580039.db2.gz MKMXPDXDLDSNNX-WCQYABFASA-N -1 3 314.437 3.550 20 0 DHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(CCc2cccc(Cl)c2Cl)C1 ZINC001589280470 953499805 /nfs/dbraw/zinc/49/98/05/953499805.db2.gz FQLLDOPAZWZIBL-CMPLNLGQSA-N -1 3 316.228 3.579 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC001594844219 954118452 /nfs/dbraw/zinc/11/84/52/954118452.db2.gz RNCNIEDZRPUJSA-CQSZACIVSA-N -1 3 309.287 3.679 20 0 DHADHM O=C([O-])[C@H](NCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000037966611 957340712 /nfs/dbraw/zinc/34/07/12/957340712.db2.gz NEXIXCODORDOFR-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000339958515 1013168516 /nfs/dbraw/zinc/16/85/16/1013168516.db2.gz DNBRSECFGXECES-UHFFFAOYSA-N -1 3 319.308 3.612 20 0 DHADHM Cc1ccc2ncc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC001594385180 958655095 /nfs/dbraw/zinc/65/50/95/958655095.db2.gz HNWOERGPDSZBGD-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM CSc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594196004 959195932 /nfs/dbraw/zinc/19/59/32/959195932.db2.gz GOEPGYUQAREKHF-INIZCTEOSA-N -1 3 301.411 3.632 20 0 DHADHM Cc1c(Cl)ccc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])c1Cl ZINC001594263090 959718092 /nfs/dbraw/zinc/71/80/92/959718092.db2.gz UJPQBRDTOBUJRV-PRHODGIISA-N -1 3 302.201 3.739 20 0 DHADHM CCOc1cccc(Cl)c1CN(CC(=O)[O-])CC(C)(C)C ZINC001573924592 961542703 /nfs/dbraw/zinc/54/27/03/961542703.db2.gz LMDKHXNJONNNTF-UHFFFAOYSA-N -1 3 313.825 3.671 20 0 DHADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(Cl)cc1[O-] ZINC000153633488 1013284083 /nfs/dbraw/zinc/28/40/83/1013284083.db2.gz PGODZQVDVPVTTN-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM CC1(C)CCC(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000340132448 1013335811 /nfs/dbraw/zinc/33/58/11/1013335811.db2.gz ZTZRHEANOPKWEL-UHFFFAOYSA-N -1 3 308.397 3.547 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000263428442 962603755 /nfs/dbraw/zinc/60/37/55/962603755.db2.gz RINWQCGBEVKLKZ-INIZCTEOSA-N -1 3 315.344 3.527 20 0 DHADHM CC(C)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032698382 1013361927 /nfs/dbraw/zinc/36/19/27/1013361927.db2.gz LQOLELBVYSRPMI-UHFFFAOYSA-N -1 3 306.365 3.904 20 0 DHADHM O=c1nc(CN2CCC[C@@H]2CC2CCCC2)[n-]c2ccsc21 ZINC000653893242 1013460278 /nfs/dbraw/zinc/46/02/78/1013460278.db2.gz XBIUYRIFDFTNIM-CYBMUJFWSA-N -1 3 317.458 3.942 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c(C)cccc2[O-])s1 ZINC000625345617 1013681858 /nfs/dbraw/zinc/68/18/58/1013681858.db2.gz GIJKGAGOOLSNLA-NSHDSACASA-N -1 3 304.415 3.607 20 0 DHADHM CN(C)C(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001211857942 1013743428 /nfs/dbraw/zinc/74/34/28/1013743428.db2.gz GXUNSYBQMSNZDV-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM O=C([O-])CN(Cc1ccc(F)c(Cl)c1Cl)C1CCC1 ZINC000656101710 968716912 /nfs/dbraw/zinc/71/69/12/968716912.db2.gz RNXUDCQINXFQIP-UHFFFAOYSA-N -1 3 306.164 3.572 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)cc1[O-] ZINC000331333176 1013873386 /nfs/dbraw/zinc/87/33/86/1013873386.db2.gz ICSARPRHELFTPC-KRWDZBQOSA-N -1 3 323.392 3.533 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC(C)C)cc1[O-] ZINC000331349015 1013876792 /nfs/dbraw/zinc/87/67/92/1013876792.db2.gz NGIWNZNMBFQROF-OAHLLOKOSA-N -1 3 303.402 3.636 20 0 DHADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000280805518 1013896023 /nfs/dbraw/zinc/89/60/23/1013896023.db2.gz MLGGBNCFMGLNEM-UHFFFAOYSA-N -1 3 308.765 3.567 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/CC[C@@H]1CCCCO1 ZINC000182202937 1021535007 /nfs/dbraw/zinc/53/50/07/1021535007.db2.gz OREHKSHCUCPCKF-RKPNYOAGSA-N -1 3 312.207 3.533 20 0 DHADHM C[C@@H](CCN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000320731295 970706484 /nfs/dbraw/zinc/70/64/84/970706484.db2.gz MGLXDJCWLYZWFT-HNAYVOBHSA-N -1 3 309.409 3.864 20 0 DHADHM Cc1cc(C)c2c(c1)CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001605152820 972840385 /nfs/dbraw/zinc/84/03/85/972840385.db2.gz DRRGYEBLBIXZDF-UHFFFAOYSA-N -1 3 301.411 3.621 20 0 DHADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)cnc1Cl ZINC001210853754 1014072454 /nfs/dbraw/zinc/07/24/54/1014072454.db2.gz IGCFZRUZQMHRTF-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cccc(Nc2cnc3cc(C4CC4)nn3c2)c1Cl ZINC001210855768 1014073250 /nfs/dbraw/zinc/07/32/50/1014073250.db2.gz VXSGJRUVDZVCRP-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM Cc1cccc([C@H](NC2CCC(C(=O)[O-])CC2)c2ccccn2)c1 ZINC001605330152 973205987 /nfs/dbraw/zinc/20/59/87/973205987.db2.gz NZMLVACBAHXEIG-KVWWFHCMSA-N -1 3 324.424 3.712 20 0 DHADHM CCCC[C@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC000530172722 974362541 /nfs/dbraw/zinc/36/25/41/974362541.db2.gz OREALGJRKLLEDP-CQSZACIVSA-N -1 3 315.335 3.707 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000566361738 974609866 /nfs/dbraw/zinc/60/98/66/974609866.db2.gz MSUGIWATWCRJQD-NSHDSACASA-N -1 3 321.364 3.857 20 0 DHADHM CC[C@H](CSC)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000566363136 974610355 /nfs/dbraw/zinc/61/03/55/974610355.db2.gz GBSBIRAWFZYFJE-GFCCVEGCSA-N -1 3 301.839 3.612 20 0 DHADHM CC[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000574922441 974792263 /nfs/dbraw/zinc/79/22/63/974792263.db2.gz UAWUINKQTRHRGI-LBPRGKRZSA-N -1 3 316.426 3.740 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCCOc1ccc(F)cc1 ZINC000577642634 974840488 /nfs/dbraw/zinc/84/04/88/974840488.db2.gz PBLFMXCVAIJODP-LBPRGKRZSA-N -1 3 321.348 3.579 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000579848389 974884345 /nfs/dbraw/zinc/88/43/45/974884345.db2.gz ZWWIJHGTRMWBMK-LBPRGKRZSA-N -1 3 319.323 3.703 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)o1 ZINC000625971068 975067133 /nfs/dbraw/zinc/06/71/33/975067133.db2.gz JWEYDHMUIIXMIC-LBPRGKRZSA-N -1 3 321.323 3.636 20 0 DHADHM Cc1ccc2ncc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc2c1 ZINC000629377527 975091113 /nfs/dbraw/zinc/09/11/13/975091113.db2.gz NBTJGTTUJKQZJH-JENIJYKNSA-N -1 3 324.424 3.618 20 0 DHADHM Cc1cc([C@@H](C)N2CCC([C@@H]3CCCCO3)CC2)oc1C(=O)[O-] ZINC000656770092 975705551 /nfs/dbraw/zinc/70/55/51/975705551.db2.gz XJHPPZQUHVUSNC-HIFRSBDPSA-N -1 3 321.417 3.628 20 0 DHADHM Cc1cc(Cl)cc(C)c1CNCc1cccc(C(=O)[O-])c1 ZINC000683175935 976080360 /nfs/dbraw/zinc/08/03/60/976080360.db2.gz DOCHFWQVOSIJSL-UHFFFAOYSA-N -1 3 303.789 3.945 20 0 DHADHM CN(CCOc1ccccc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000237193995 1014357398 /nfs/dbraw/zinc/35/73/98/1014357398.db2.gz SLIBJKMBVLDHQT-UHFFFAOYSA-N -1 3 319.788 3.549 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC001592327701 977742070 /nfs/dbraw/zinc/74/20/70/977742070.db2.gz CYEWVOWGOIGOBV-QGZVFWFLSA-N -1 3 323.314 3.584 20 0 DHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1c(F)c(F)cc(F)c1F ZINC001592445684 978116361 /nfs/dbraw/zinc/11/63/61/978116361.db2.gz PFCDQPQIRNNSBJ-QMMMGPOBSA-N -1 3 321.314 3.612 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)[nH]c1C ZINC000729525512 1014476901 /nfs/dbraw/zinc/47/69/01/1014476901.db2.gz DPICVLJLRICYFA-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM CSCc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000294633885 1032094240 /nfs/dbraw/zinc/09/42/40/1032094240.db2.gz JWLKFLZFKZYJTL-UHFFFAOYSA-N -1 3 309.381 3.823 20 0 DHADHM CCC(CC)(CNCc1csc(C2CCCC2)n1)C(=O)[O-] ZINC001595079402 979363365 /nfs/dbraw/zinc/36/33/65/979363365.db2.gz KMQXKGDJVMAZPV-UHFFFAOYSA-N -1 3 310.463 3.781 20 0 DHADHM C[C@@H](N[C@@H](C)COCC1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC001592776014 979401796 /nfs/dbraw/zinc/40/17/96/979401796.db2.gz OAFJNZDESVMTMU-QWHCGFSZSA-N -1 3 309.406 3.614 20 0 DHADHM O=C([O-])Cc1ccccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000846238571 979417096 /nfs/dbraw/zinc/41/70/96/979417096.db2.gz LWAVBWNDKPSQKG-UHFFFAOYSA-N -1 3 313.372 3.617 20 0 DHADHM C/C(=C/CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000846240874 979418747 /nfs/dbraw/zinc/41/87/47/979418747.db2.gz NTBMBGQJJZSJLM-POHAHGRESA-N -1 3 314.212 3.989 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000859803568 979635611 /nfs/dbraw/zinc/63/56/11/979635611.db2.gz DRTDQQYXPNXUQU-QGZVFWFLSA-N -1 3 317.385 3.878 20 0 DHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(F)(F)[C@@H](C)C3)c2c1 ZINC000581193792 1014609242 /nfs/dbraw/zinc/60/92/42/1014609242.db2.gz QTPWYZBZRMYYJH-NSHDSACASA-N -1 3 320.339 3.723 20 0 DHADHM CC[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC001595276157 980299163 /nfs/dbraw/zinc/29/91/63/980299163.db2.gz DRTWDJJKYKUDSM-CABCVRRESA-N -1 3 305.399 3.623 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cccc(F)c1 ZINC000442242731 1014651284 /nfs/dbraw/zinc/65/12/84/1014651284.db2.gz TVHCXLYJXNXOLK-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595281188 980331632 /nfs/dbraw/zinc/33/16/32/980331632.db2.gz JWXFEAFNBUAIFY-SJCJKPOMSA-N -1 3 314.385 3.590 20 0 DHADHM CC[C@@H](N[C@@H](CO)c1sccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595281559 980336117 /nfs/dbraw/zinc/33/61/17/980336117.db2.gz QRAUMUCAJXNQJE-CABCVRRESA-N -1 3 319.426 3.529 20 0 DHADHM CC[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(Cl)s1 ZINC001595298836 980421862 /nfs/dbraw/zinc/42/18/62/980421862.db2.gz VNVXWZUXRFDEJI-NSHDSACASA-N -1 3 312.822 3.977 20 0 DHADHM O=C([O-])CC[C@H](NCc1scnc1C1CC1)c1ccccc1 ZINC000901646096 980422870 /nfs/dbraw/zinc/42/28/70/980422870.db2.gz DMLDDHLKPJREOV-AWEZNQCLSA-N -1 3 316.426 3.716 20 0 DHADHM CC[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(Cl)s1 ZINC001595299190 980425160 /nfs/dbraw/zinc/42/51/60/980425160.db2.gz MFNMWZXNNKQLOX-JTQLQIEISA-N -1 3 312.822 3.977 20 0 DHADHM CC[C@H](NCc1cccc(C)c1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299689 980429998 /nfs/dbraw/zinc/42/99/98/980429998.db2.gz CCTQOLQEWAUSSW-KRWDZBQOSA-N -1 3 313.397 3.943 20 0 DHADHM CC[C@@](NCc1ccc(C)nc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300423 980434314 /nfs/dbraw/zinc/43/43/14/980434314.db2.gz PYSZIRDWVXWKAE-KRWDZBQOSA-N -1 3 318.804 3.523 20 0 DHADHM Cc1ccc(CC[C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911700 980623715 /nfs/dbraw/zinc/62/37/15/980623715.db2.gz MGJUGXFBGLHACY-QWHCGFSZSA-N -1 3 318.442 3.822 20 0 DHADHM CC[C@H](Cc1cccs1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912758 980625172 /nfs/dbraw/zinc/62/51/72/980625172.db2.gz RYDICCJPNBAVAD-NXEZZACHSA-N -1 3 310.444 3.575 20 0 DHADHM Cc1ccccc1C1CC(N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901913578 980625235 /nfs/dbraw/zinc/62/52/35/980625235.db2.gz ZCADDQBADJNHHA-PNESKVBLSA-N -1 3 316.426 3.747 20 0 DHADHM CC(C)OCc1ccccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902121149 980745098 /nfs/dbraw/zinc/74/50/98/980745098.db2.gz HGVNPUXGIZEOEK-UHFFFAOYSA-N -1 3 319.426 3.661 20 0 DHADHM CCc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1CC ZINC000451171158 1014682997 /nfs/dbraw/zinc/68/29/97/1014682997.db2.gz RNYYGEGSOCXWTR-UHFFFAOYSA-N -1 3 301.361 3.837 20 0 DHADHM Cc1ccc(CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)s1 ZINC000902220867 980787888 /nfs/dbraw/zinc/78/78/88/980787888.db2.gz MHGYBMYEMYUSMA-ZDUSSCGKSA-N -1 3 319.426 3.540 20 0 DHADHM CCc1nc(CN[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cs1 ZINC000902233355 980793798 /nfs/dbraw/zinc/79/37/98/980793798.db2.gz JLHNCXRRDOWYTF-STQMWFEESA-N -1 3 310.463 3.609 20 0 DHADHM Cc1cc(CN[C@@H](C)CSc2ccc(C)cc2)oc1C(=O)[O-] ZINC000902331866 980836466 /nfs/dbraw/zinc/83/64/66/980836466.db2.gz IDEIVNCHJLWXCG-ZDUSSCGKSA-N -1 3 319.426 3.865 20 0 DHADHM C[C@@]1(CCc2ccccc2)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000902351403 980845751 /nfs/dbraw/zinc/84/57/51/980845751.db2.gz ZGXPJRJOLTZBGA-HXUWFJFHSA-N -1 3 324.424 3.625 20 0 DHADHM O=C([O-])c1csc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000902399103 980870422 /nfs/dbraw/zinc/87/04/22/980870422.db2.gz WVQXOMJARJDTFI-HNNXBMFYSA-N -1 3 305.374 3.753 20 0 DHADHM CCC1(CC)CN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC001595375363 980894612 /nfs/dbraw/zinc/89/46/12/980894612.db2.gz HMCSVTCQIQRNPH-GFCCVEGCSA-N -1 3 311.447 3.955 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902530578 980923627 /nfs/dbraw/zinc/92/36/27/980923627.db2.gz MITDIPITOQUXEB-FJOGCWAESA-N -1 3 317.307 3.540 20 0 DHADHM Cc1ccc(-c2ocnc2C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128872036 1014744012 /nfs/dbraw/zinc/74/40/12/1014744012.db2.gz UEUHMZNKOMWQBO-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CC(C)CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000468402148 1014783640 /nfs/dbraw/zinc/78/36/40/1014783640.db2.gz OQJLIPPEDVINIJ-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM CCc1cccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000007241096 1014852458 /nfs/dbraw/zinc/85/24/58/1014852458.db2.gz TXZMIHATLOYTOW-UHFFFAOYSA-N -1 3 309.365 3.982 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1F ZINC000303318901 1014888095 /nfs/dbraw/zinc/88/80/95/1014888095.db2.gz UQVSMRXHUBBIPB-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001118320507 982952902 /nfs/dbraw/zinc/95/29/02/982952902.db2.gz XFZBREYUOXJXIS-KGLIPLIRSA-N -1 3 313.850 3.539 20 0 DHADHM Cc1cc2cc(CN(CC(=O)[O-])CC(C)(C)C)oc2cc1C ZINC000665350261 1014997202 /nfs/dbraw/zinc/99/72/02/1014997202.db2.gz JEVLLIRIAXASIV-UHFFFAOYSA-N -1 3 303.402 3.982 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129647008 1015077797 /nfs/dbraw/zinc/07/77/97/1015077797.db2.gz UMRVGFGHGHYLCI-UHFFFAOYSA-N -1 3 315.344 3.750 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000029046190 1015101605 /nfs/dbraw/zinc/10/16/05/1015101605.db2.gz XQCYGJLHJMSFNE-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM Cc1[nH]c2ccc(CN[C@@H](C)c3cncc(C(=O)[O-])c3)cc2c1C ZINC001599965276 985892084 /nfs/dbraw/zinc/89/20/84/985892084.db2.gz VDXFKSHMNHMFML-ZDUSSCGKSA-N -1 3 323.396 3.729 20 0 DHADHM COc1ccc(C2CC2)cc1CNCc1c(F)ccc([O-])c1F ZINC000895538792 1015195094 /nfs/dbraw/zinc/19/50/94/1015195094.db2.gz KIZQBDNRIZLUII-UHFFFAOYSA-N -1 3 319.351 3.846 20 0 DHADHM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597101033 986711692 /nfs/dbraw/zinc/71/16/92/986711692.db2.gz UHABBUXYFJJBJU-UHFFFAOYSA-N -1 3 313.397 3.724 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1F ZINC000895690507 1015259036 /nfs/dbraw/zinc/25/90/36/1015259036.db2.gz IFCYPZBYYOODTA-WMLDXEAASA-N -1 3 307.315 3.786 20 0 DHADHM CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597258609 987270916 /nfs/dbraw/zinc/27/09/16/987270916.db2.gz PTURDWRYFJEFHW-GARJFASQSA-N -1 3 314.476 3.556 20 0 DHADHM CCSc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001597277175 987332930 /nfs/dbraw/zinc/33/29/30/987332930.db2.gz ITOFWEVVEKSQNU-UHFFFAOYSA-N -1 3 307.440 3.848 20 0 DHADHM CCc1[nH]c(CN(C)C/C(C)=C\c2ccccc2)cc1C(=O)[O-] ZINC001597380357 987573041 /nfs/dbraw/zinc/57/30/41/987573041.db2.gz HNGQKGUNLJRJPC-UVTDQMKNSA-N -1 3 312.413 3.811 20 0 DHADHM CSc1ccccc1CN(C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599823752 988560122 /nfs/dbraw/zinc/56/01/22/988560122.db2.gz BWORBUXVJMEQRT-MRXNPFEDSA-N -1 3 319.401 3.805 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1c(Cl)oc2ccccc21 ZINC001599878980 989458508 /nfs/dbraw/zinc/45/85/08/989458508.db2.gz RMEHPVOCDHGLJZ-GHMZBOCLSA-N -1 3 307.777 3.771 20 0 DHADHM [O-]c1cccnc1CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000581911546 1015523490 /nfs/dbraw/zinc/52/34/90/1015523490.db2.gz ZSOLATZAANYFOC-LBPRGKRZSA-N -1 3 314.282 3.710 20 0 DHADHM [O-]c1cc(F)cc(CNCc2c(F)cccc2OC(F)F)c1 ZINC000349562424 1015570428 /nfs/dbraw/zinc/57/04/28/1015570428.db2.gz DRZLCDWEVFQZTN-UHFFFAOYSA-N -1 3 315.266 3.562 20 0 DHADHM COc1cccc([C@H](NCc2cccc(Cl)c2C)C(=O)[O-])c1 ZINC001599688195 991022895 /nfs/dbraw/zinc/02/28/95/991022895.db2.gz RCXCABIGQOWUCP-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000098078476 1015636509 /nfs/dbraw/zinc/63/65/09/1015636509.db2.gz BROAHNCIAPZATN-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM CC(C)[C@H]1N(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC12CCC2 ZINC001591099630 991713651 /nfs/dbraw/zinc/71/36/51/991713651.db2.gz LZGLFCQBWCECOW-MRXNPFEDSA-N -1 3 302.418 3.601 20 0 DHADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC001598518351 992646540 /nfs/dbraw/zinc/64/65/40/992646540.db2.gz WYMBQBCHDAYDDT-IENJSVCTSA-N -1 3 311.381 3.887 20 0 DHADHM C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593198428 994171421 /nfs/dbraw/zinc/17/14/21/994171421.db2.gz RBYWWCWTISYAKU-RYUDHWBXSA-N -1 3 318.442 3.858 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001593199427 994178509 /nfs/dbraw/zinc/17/85/09/994178509.db2.gz XPPCYTQTJKVDLZ-OLZOCXBDSA-N -1 3 317.360 3.701 20 0 DHADHM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccnc(Cl)c1 ZINC001593203023 994184847 /nfs/dbraw/zinc/18/48/47/994184847.db2.gz CAWSHDHUZKOZRT-IUODEOHRSA-N -1 3 318.804 3.992 20 0 DHADHM C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ccc(C(=O)[O-])o1 ZINC001593220440 994310973 /nfs/dbraw/zinc/31/09/73/994310973.db2.gz SICOHOQBBMFIQQ-CQDKDKBSSA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](NCCCCC(=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC001593263988 994561914 /nfs/dbraw/zinc/56/19/14/994561914.db2.gz DJXDBZATJKFGPI-QMMMGPOBSA-N -1 3 324.730 3.659 20 0 DHADHM COc1cccc([C@H](N[C@@H](C)c2ccc(F)cc2C)C(=O)[O-])c1 ZINC001599659886 994639286 /nfs/dbraw/zinc/63/92/86/994639286.db2.gz OUUMPEQOQUFOAP-SJCJKPOMSA-N -1 3 317.360 3.619 20 0 DHADHM Cc1ccc(-c2nc(CNCC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000277117523 1015877431 /nfs/dbraw/zinc/87/74/31/1015877431.db2.gz ASGAGNSSEXHVQX-UHFFFAOYSA-N -1 3 318.442 3.709 20 0 DHADHM COc1cccc([C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC001599660307 994645754 /nfs/dbraw/zinc/64/57/54/994645754.db2.gz SWPDHKLOHUPSOW-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC001593644344 995960442 /nfs/dbraw/zinc/96/04/42/995960442.db2.gz IBQOJYGPVXWPMH-XHSDSOJGSA-N -1 3 317.429 3.551 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H](C2CCCC2)C1 ZINC001593732770 996315092 /nfs/dbraw/zinc/31/50/92/996315092.db2.gz YXGCCMNWMDGAOA-YPMHNXCESA-N -1 3 308.447 3.805 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCCCC(C)C)CC2 ZINC001599501255 997124778 /nfs/dbraw/zinc/12/47/78/997124778.db2.gz KRJHHRBONCFABA-UHFFFAOYSA-N -1 3 305.418 3.578 20 0 DHADHM [O-]c1cc(F)c(F)cc1Nc1cnc(Br)s1 ZINC001216268066 1016103467 /nfs/dbraw/zinc/10/34/67/1016103467.db2.gz RBVVICZTYUKURS-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000866862391 1016130636 /nfs/dbraw/zinc/13/06/36/1016130636.db2.gz GIGQRLALPVTROO-LJQANCHMSA-N -1 3 312.413 3.534 20 0 DHADHM C[C@H]1CCC[C@@H](C2CN(Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC001594344973 999304884 /nfs/dbraw/zinc/30/48/84/999304884.db2.gz LASHEOBXZRYCMF-GXTWGEPZSA-N -1 3 305.393 3.782 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1cccs1 ZINC000342399684 1016343059 /nfs/dbraw/zinc/34/30/59/1016343059.db2.gz VAHXHAHCOBGPLA-HNNXBMFYSA-N -1 3 324.405 3.567 20 0 DHADHM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622376433 1016387190 /nfs/dbraw/zinc/38/71/90/1016387190.db2.gz KDDRONLGGQJZCS-AWEZNQCLSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@H](c1ccc(C(=O)Nc2ncccc2[O-])cc1)C(F)(F)F ZINC000622505201 1016437501 /nfs/dbraw/zinc/43/75/01/1016437501.db2.gz UGAHALXZBYHOPL-SECBINFHSA-N -1 3 310.275 3.705 20 0 DHADHM CCN(CCOc1ccccc1C)C(=O)c1ccc(C)cc1[O-] ZINC000622726684 1016544516 /nfs/dbraw/zinc/54/45/16/1016544516.db2.gz LDHQIPXTBSXMSU-UHFFFAOYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc([C@H](NCc2cnc(C)[n-]c2=O)c2ccccc2)cc1 ZINC000346805864 1016555346 /nfs/dbraw/zinc/55/53/46/1016555346.db2.gz JHDCWUYZGBWWQE-LJQANCHMSA-N -1 3 319.408 3.678 20 0 DHADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])n1cnc2ccccc21 ZINC000171742727 1016595425 /nfs/dbraw/zinc/59/54/25/1016595425.db2.gz XGSBGBGCGGAKTG-SNVBAGLBSA-N -1 3 315.760 3.595 20 0 DHADHM Cc1ccc(F)c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000589101288 1038425583 /nfs/dbraw/zinc/42/55/83/1038425583.db2.gz HFTPIVPGUIAJDC-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(Nc1cccc(Cl)c1[O-])c1cn[nH]c1-c1ccccc1 ZINC000172112314 1016642473 /nfs/dbraw/zinc/64/24/73/1016642473.db2.gz NHVOXISVZPTQMG-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1Br ZINC000174880619 1016844916 /nfs/dbraw/zinc/84/49/16/1016844916.db2.gz BCADMOPRJQNIIW-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM COc1ccc2sc(C(=O)Nc3ncccc3[O-])c(C)c2c1 ZINC000175023924 1016852158 /nfs/dbraw/zinc/85/21/58/1016852158.db2.gz QRMXAMDRBQPLCB-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001227591463 1017049214 /nfs/dbraw/zinc/04/92/14/1017049214.db2.gz VBYNMGZVINSAME-RGNHYFCHSA-N -1 3 301.155 3.861 20 0 DHADHM CC(C)Cc1csc2[nH]c(-c3ccc([O-])cc3)nc(=O)c12 ZINC000046703282 1032175333 /nfs/dbraw/zinc/17/53/33/1032175333.db2.gz YLVQABUACDRZBP-UHFFFAOYSA-N -1 3 300.383 3.556 20 0 DHADHM C[C@H](CCC1CCCCC1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001146540125 1032229158 /nfs/dbraw/zinc/22/91/58/1032229158.db2.gz UXZHNZUPRAPDSI-LLVKDONJSA-N -1 3 318.396 3.576 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(OC)cn1 ZINC000362185934 1032264327 /nfs/dbraw/zinc/26/43/27/1032264327.db2.gz XXPMSQRYTVPVMV-UHFFFAOYSA-N -1 3 306.362 3.594 20 0 DHADHM C[C@@H]1N(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc2C1(C)C ZINC001147349986 1032305799 /nfs/dbraw/zinc/30/57/99/1032305799.db2.gz QMXLGEPQQRFEPO-LBPRGKRZSA-N -1 3 313.372 3.787 20 0 DHADHM CCc1oncc1C(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC001147491991 1032313613 /nfs/dbraw/zinc/31/36/13/1032313613.db2.gz DMFCXXGXBOTQTC-UHFFFAOYSA-N -1 3 323.761 3.859 20 0 DHADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OCC2CCC2)cc1 ZINC001148108150 1032364326 /nfs/dbraw/zinc/36/43/26/1032364326.db2.gz ZWNZPLSQVMLKSK-UHFFFAOYSA-N -1 3 317.429 3.696 20 0 DHADHM Cn1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c2ccccc21 ZINC001148189710 1032370440 /nfs/dbraw/zinc/37/04/40/1032370440.db2.gz LFBWNDAVLZOKIQ-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1ccccc1[O-] ZINC001148379234 1032392571 /nfs/dbraw/zinc/39/25/71/1032392571.db2.gz QJYZZCGVVCHOIC-MRXNPFEDSA-N -1 3 303.308 3.552 20 0 DHADHM CC(C)Cc1ccccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001148580850 1032420459 /nfs/dbraw/zinc/42/04/59/1032420459.db2.gz VLPDJKHSLIGMRH-UHFFFAOYSA-N -1 3 315.388 3.589 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(C3CCC3)nc2)ccc1[O-] ZINC001148658065 1032432327 /nfs/dbraw/zinc/43/23/27/1032432327.db2.gz YJWZXIUPRCFFKT-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cccc3cc(O)ccc32)ccc1[O-] ZINC001148664072 1032432531 /nfs/dbraw/zinc/43/25/31/1032432531.db2.gz HNBPQEXWTZGLEF-UHFFFAOYSA-N -1 3 321.332 3.706 20 0 DHADHM N=C(Nc1[n-]c(=O)c(Cl)cc1Cl)c1cccnc1Cl ZINC001171346520 1032507054 /nfs/dbraw/zinc/50/70/54/1032507054.db2.gz HZFIWWNRTKRBHT-UHFFFAOYSA-N -1 3 317.563 3.580 20 0 DHADHM CN(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000586737017 1032515540 /nfs/dbraw/zinc/51/55/40/1032515540.db2.gz FFNFDWWTUMDXBZ-UHFFFAOYSA-N -1 3 318.804 3.683 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3nccc(C)n3)c2)c1 ZINC000537641520 1032536734 /nfs/dbraw/zinc/53/67/34/1032536734.db2.gz UHVYPWHNAOVXIK-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000277839811 1017322044 /nfs/dbraw/zinc/32/20/44/1017322044.db2.gz XZOFJQJJWVMWIV-QGZVFWFLSA-N -1 3 315.800 3.797 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000049404286 1011894025 /nfs/dbraw/zinc/89/40/25/1011894025.db2.gz UZHXKEQWPJYCES-PXTSUWAFSA-N -1 3 311.772 3.637 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2Cl)nc(C)n1 ZINC000049404303 1011894545 /nfs/dbraw/zinc/89/45/45/1011894545.db2.gz FQEOFLLLXBWILD-NPQIQWPPSA-N -1 3 311.772 3.637 20 0 DHADHM CO[C@@H](CSCc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC000424118910 1011909057 /nfs/dbraw/zinc/90/90/57/1011909057.db2.gz DTUCCLHHGMHLEX-HNNXBMFYSA-N -1 3 316.426 3.507 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000058779240 1032594920 /nfs/dbraw/zinc/59/49/20/1032594920.db2.gz YRKVXFLHUCSXMS-UHFFFAOYSA-N -1 3 320.320 3.841 20 0 DHADHM C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424415273 1012020361 /nfs/dbraw/zinc/02/03/61/1012020361.db2.gz IQWKOMJBMXMMFW-ZANVPECISA-N -1 3 319.298 3.530 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccsc2)n1 ZINC000424613411 1012059134 /nfs/dbraw/zinc/05/91/34/1012059134.db2.gz BERNIELAINSCPN-ZWNOBZJWSA-N -1 3 324.471 3.707 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000616376245 1012077971 /nfs/dbraw/zinc/07/79/71/1012077971.db2.gz XHUCSSHQNCKOEY-CYBMUJFWSA-N -1 3 305.443 3.766 20 0 DHADHM COc1ccccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809911 1032618315 /nfs/dbraw/zinc/61/83/15/1032618315.db2.gz WJSUTPZKSRMZEU-UHFFFAOYSA-N -1 3 300.141 3.687 20 0 DHADHM CC(C)c1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)cs1 ZINC000171438999 1012329519 /nfs/dbraw/zinc/32/95/19/1012329519.db2.gz SJSSMMPLCIIIFB-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM [O-]c1cccnc1CSc1nnc(-c2ccccc2Cl)o1 ZINC000515552326 1012657354 /nfs/dbraw/zinc/65/73/54/1012657354.db2.gz BZPYNDLTQJFNNW-UHFFFAOYSA-N -1 3 319.773 3.783 20 0 DHADHM Cc1cc(C(=O)CCC(=O)[N-]OC2CCCCC2)c(C)s1 ZINC000777962934 1012662905 /nfs/dbraw/zinc/66/29/05/1012662905.db2.gz HBYXOTHRLOLPMX-UHFFFAOYSA-N -1 3 309.431 3.708 20 0 DHADHM CCCc1ccc2nccc(N3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC000515852019 1012738720 /nfs/dbraw/zinc/73/87/20/1012738720.db2.gz MBYVRELBRNKFKR-INIZCTEOSA-N -1 3 324.424 3.878 20 0 DHADHM CC[C@@](C)(NC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000436581428 1012756651 /nfs/dbraw/zinc/75/66/51/1012756651.db2.gz FBCNNKOHBXOVJH-MRXNPFEDSA-N -1 3 304.415 3.521 20 0 DHADHM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000109245365 1012770648 /nfs/dbraw/zinc/77/06/48/1012770648.db2.gz LZUUTZYBSKUDTB-UHFFFAOYSA-N -1 3 307.440 3.659 20 0 DHADHM CC[C@H]1CC[C@@H](C)N1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873011 1012850320 /nfs/dbraw/zinc/85/03/20/1012850320.db2.gz YJLXMLMKZOUOAY-OCCSQVGLSA-N -1 3 315.417 3.517 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000232783149 1012945887 /nfs/dbraw/zinc/94/58/87/1012945887.db2.gz DYQJHDLSPQDCQZ-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2cccs2)on1 ZINC000179147220 1017215678 /nfs/dbraw/zinc/21/56/78/1017215678.db2.gz QFBBWCGXSZFVOE-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874641452 1032689721 /nfs/dbraw/zinc/68/97/21/1032689721.db2.gz FFDICRIQSYMPMI-SNVBAGLBSA-N -1 3 324.302 3.605 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(F)(c3cccnc3)CC2)c1F ZINC000353375638 1017573603 /nfs/dbraw/zinc/57/36/03/1017573603.db2.gz SZYSYIJJNMVZFS-UHFFFAOYSA-N -1 3 322.330 3.526 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccccc2[O-])s1 ZINC000119959013 1017674682 /nfs/dbraw/zinc/67/46/82/1017674682.db2.gz CAUYYQWHYWQGRE-NSHDSACASA-N -1 3 304.415 3.553 20 0 DHADHM CCCc1cc(C(=O)NCc2ccc([O-])c(F)c2)sc1C ZINC000523424377 1017692390 /nfs/dbraw/zinc/69/23/90/1017692390.db2.gz VTWATTMTRLRHKG-UHFFFAOYSA-N -1 3 307.390 3.784 20 0 DHADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)n1C ZINC000342946528 1017873807 /nfs/dbraw/zinc/87/38/07/1017873807.db2.gz YJANLSDKXJTPAI-UHFFFAOYSA-N -1 3 312.291 3.619 20 0 DHADHM Cc1nnc([N-]C(=O)c2sc(C)nc2-c2ccccc2)s1 ZINC000015606243 1017941506 /nfs/dbraw/zinc/94/15/06/1017941506.db2.gz SNRHVWCLRIRUBK-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC2(CCCC2)C1 ZINC000700867604 1017967519 /nfs/dbraw/zinc/96/75/19/1017967519.db2.gz RHTRIUAYBHDQKT-UHFFFAOYSA-N -1 3 324.218 3.561 20 0 DHADHM Fc1ccccc1[N-]c1nnc(S[C@@H]2CCCOC2)s1 ZINC000674388937 1017975092 /nfs/dbraw/zinc/97/50/92/1017975092.db2.gz NSWGTQQUSCBBQS-SECBINFHSA-N -1 3 311.407 3.692 20 0 DHADHM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccccn1 ZINC000171944438 1018001607 /nfs/dbraw/zinc/00/16/07/1018001607.db2.gz GHTJWUVUWQTNKC-JTQLQIEISA-N -1 3 300.749 3.958 20 0 DHADHM COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001213379279 1018180635 /nfs/dbraw/zinc/18/06/35/1018180635.db2.gz KTNFBVXNWJAJJA-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1cc(SC)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000193239680 1018259560 /nfs/dbraw/zinc/25/95/60/1018259560.db2.gz ZBVMXIJOVYAVPV-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM CC[C@H](C)Oc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000764441704 1018283858 /nfs/dbraw/zinc/28/38/58/1018283858.db2.gz JIKVXMJGUSRSSR-VFFGBVLKSA-N -1 3 300.358 3.539 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1cscc1Br ZINC000417545931 1018320826 /nfs/dbraw/zinc/32/08/26/1018320826.db2.gz KXCSLHHGUNVHBN-VIFPVBQESA-N -1 3 320.252 3.634 20 0 DHADHM [O-]c1cc(Cl)c(CN2CCC3(CCCO3)CC2)c(Cl)c1 ZINC001142115060 1018366557 /nfs/dbraw/zinc/36/65/57/1018366557.db2.gz VQJWMNYVIMHFFV-UHFFFAOYSA-N -1 3 316.228 3.844 20 0 DHADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc([O-])c1F ZINC001212545479 1018408348 /nfs/dbraw/zinc/40/83/48/1018408348.db2.gz FIKXHLUVYNTIGJ-UHFFFAOYSA-N -1 3 303.724 3.620 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000447717381 1018463512 /nfs/dbraw/zinc/46/35/12/1018463512.db2.gz UZPWTQJZQHEUMQ-CYBMUJFWSA-N -1 3 311.381 3.888 20 0 DHADHM CC(C)c1ncsc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000448770115 1018499707 /nfs/dbraw/zinc/49/97/07/1018499707.db2.gz WWHLNEOPNOHKOY-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CC(C)n1ccc(NCc2cccc([O-])c2Br)n1 ZINC000315339382 1032768818 /nfs/dbraw/zinc/76/88/18/1032768818.db2.gz KAJRVHSCTWVEKI-UHFFFAOYSA-N -1 3 310.195 3.544 20 0 DHADHM COc1ccc(Cl)c(CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000565043816 1018516232 /nfs/dbraw/zinc/51/62/32/1018516232.db2.gz LBHAZIUCCWJFCU-CYBMUJFWSA-N -1 3 311.809 3.568 20 0 DHADHM CCC1(CC)CN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000527116137 1018519639 /nfs/dbraw/zinc/51/96/39/1018519639.db2.gz ALANSUVBLGUMDD-UHFFFAOYSA-N -1 3 320.396 3.676 20 0 DHADHM CC1(C)COC(c2ccccc2Nc2cc(F)c([O-])c(F)c2)=N1 ZINC001213388847 1018533179 /nfs/dbraw/zinc/53/31/79/1018533179.db2.gz PMWOHRRXWLTXFL-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM COC(=O)c1cc(C)c(C)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213388749 1018534152 /nfs/dbraw/zinc/53/41/52/1018534152.db2.gz KMESNPRVJSFSGK-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c([O-])c1 ZINC000527286490 1018546250 /nfs/dbraw/zinc/54/62/50/1018546250.db2.gz DDTQBHUPWDTCGD-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CSc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000527293224 1018547964 /nfs/dbraw/zinc/54/79/64/1018547964.db2.gz IDHAQJHURKMYMU-UHFFFAOYSA-N -1 3 320.389 3.610 20 0 DHADHM O=C([N-]c1cc(Cl)ccc1F)c1ncoc1[C@@H]1CCCO1 ZINC000115006199 1018554698 /nfs/dbraw/zinc/55/46/98/1018554698.db2.gz RFGLNCOWLQGKIJ-NSHDSACASA-N -1 3 310.712 3.571 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCSc3ccccc32)s1 ZINC000706238810 1018705726 /nfs/dbraw/zinc/70/57/26/1018705726.db2.gz FVDLQADSMLVJGR-GFCCVEGCSA-N -1 3 305.424 3.773 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000354584109 1018830316 /nfs/dbraw/zinc/83/03/16/1018830316.db2.gz WSNCYDYVUBSOLX-AWEZNQCLSA-N -1 3 301.411 3.513 20 0 DHADHM CC(C)c1nc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cs1 ZINC001116762625 1018839825 /nfs/dbraw/zinc/83/98/25/1018839825.db2.gz VHHKVFJIZFYLLH-LRDDRELGSA-N -1 3 310.463 3.637 20 0 DHADHM COCCN(C(=O)c1c(C)cccc1[O-])[C@H](C)c1ccccc1 ZINC000624818950 1018844325 /nfs/dbraw/zinc/84/43/25/1018844325.db2.gz DMXNGIVCGISGMN-OAHLLOKOSA-N -1 3 313.397 3.550 20 0 DHADHM COc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471558249 1018863104 /nfs/dbraw/zinc/86/31/04/1018863104.db2.gz VPYHRUADNBCDGX-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2c(C)cccc2[O-])on1 ZINC000625818899 1018997736 /nfs/dbraw/zinc/99/77/36/1018997736.db2.gz COEYWAYSXIAQIF-UHFFFAOYSA-N -1 3 302.374 3.522 20 0 DHADHM O=C(CCc1cncc2ccccc21)Nc1cccc([O-])c1F ZINC000765612084 1019000192 /nfs/dbraw/zinc/00/01/92/1019000192.db2.gz FBLUWNXSNZWQNJ-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000007052235 1019001198 /nfs/dbraw/zinc/00/11/98/1019001198.db2.gz XPQOQSYOBDXDCX-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM FC(F)c1nnc([N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000278694464 1019050764 /nfs/dbraw/zinc/05/07/64/1019050764.db2.gz MGYUTZPLPQPRDS-ZJUUUORDSA-N -1 3 315.707 3.603 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000076195283 1019098965 /nfs/dbraw/zinc/09/89/65/1019098965.db2.gz ONVYIESYBONJSO-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM O=C(NC[C@@H]1CCCCS1)c1cc([O-])c2ccccc2c1 ZINC000355588195 1019123119 /nfs/dbraw/zinc/12/31/19/1019123119.db2.gz RJIZPEGZUUADLO-AWEZNQCLSA-N -1 3 301.411 3.561 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1 ZINC000029047030 1019165144 /nfs/dbraw/zinc/16/51/44/1019165144.db2.gz FUUMYDZHEUNNSP-UHFFFAOYSA-N -1 3 323.389 3.724 20 0 DHADHM O=C(Nc1cnc(CC2CC2)nc1)c1cc([O-])c2ccccc2c1 ZINC000356368475 1019217739 /nfs/dbraw/zinc/21/77/39/1019217739.db2.gz USOOXKCQBRGTDC-UHFFFAOYSA-N -1 3 319.364 3.540 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1[O-] ZINC000081937206 1019245360 /nfs/dbraw/zinc/24/53/60/1019245360.db2.gz JEZFBUPDKFRBEA-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM Cc1csc(C)c1S(=O)(=O)[N-]c1c(C)ccnc1Cl ZINC000725061253 1019266049 /nfs/dbraw/zinc/26/60/49/1019266049.db2.gz OCWMOHGDEUCSQT-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnn(C)c2-c2ccccc2)c1 ZINC000672519378 1019267136 /nfs/dbraw/zinc/26/71/36/1019267136.db2.gz KFPPRZCXPKOACX-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1cnc2ccsc2c1 ZINC000084460531 1019269501 /nfs/dbraw/zinc/26/95/01/1019269501.db2.gz TUSCKROIKQRTPE-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000041493704 1019274031 /nfs/dbraw/zinc/27/40/31/1019274031.db2.gz QYTIQYPUFPUGBK-AWEZNQCLSA-N -1 3 303.321 3.535 20 0 DHADHM O=c1nc(-c2cc([O-])cc(Cl)c2)[nH]c2sc3c(c21)CCC3 ZINC000672773141 1019383452 /nfs/dbraw/zinc/38/34/52/1019383452.db2.gz AVQIOUXVFRUJPJ-UHFFFAOYSA-N -1 3 318.785 3.912 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cccc(Br)n1 ZINC001212478108 1019397268 /nfs/dbraw/zinc/39/72/68/1019397268.db2.gz UZZVTKGTDMCANA-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCc2cccc(O)c21 ZINC000472436559 1019405966 /nfs/dbraw/zinc/40/59/66/1019405966.db2.gz JHLMBJOWUGFCSX-UHFFFAOYSA-N -1 3 319.360 3.844 20 0 DHADHM Cc1ccc(-n2nccc2Nc2cc(F)cc(F)c2[O-])cc1 ZINC001212481977 1019430099 /nfs/dbraw/zinc/43/00/99/1019430099.db2.gz ULHKSDGPOCSCMG-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000091685424 1019476820 /nfs/dbraw/zinc/47/68/20/1019476820.db2.gz SUGZTLVGAGSAMB-HNNXBMFYSA-N -1 3 301.773 3.941 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(C(C)=O)s2)s1 ZINC000137294741 1019478332 /nfs/dbraw/zinc/47/83/32/1019478332.db2.gz KVHGPFMLPSJDLT-UHFFFAOYSA-N -1 3 323.443 3.958 20 0 DHADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCCOC1 ZINC000922133579 1019497027 /nfs/dbraw/zinc/49/70/27/1019497027.db2.gz KMZHBXJNIFMMOI-BXUZGUMPSA-N -1 3 319.426 3.542 20 0 DHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000151444428 1033450977 /nfs/dbraw/zinc/45/09/77/1033450977.db2.gz MXFCAGWCNIWAQK-MRVPVSSYSA-N -1 3 308.765 3.783 20 0 DHADHM Cc1cccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000094093666 1019608437 /nfs/dbraw/zinc/60/84/37/1019608437.db2.gz CBNXMEMPNFQUBE-UHFFFAOYSA-N -1 3 311.381 3.691 20 0 DHADHM O=C([O-])C1CN(Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000143625124 1019667796 /nfs/dbraw/zinc/66/77/96/1019667796.db2.gz TZPMTZKRBVQALF-UHFFFAOYSA-N -1 3 307.802 3.585 20 0 DHADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C ZINC000347588831 1019746013 /nfs/dbraw/zinc/74/60/13/1019746013.db2.gz XDOLQCIJMCZCFY-VXGBXAGGSA-N -1 3 311.385 3.560 20 0 DHADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061527897 1019751666 /nfs/dbraw/zinc/75/16/66/1019751666.db2.gz KMZJKTLLSUTNGB-CYBMUJFWSA-N -1 3 312.413 3.569 20 0 DHADHM Cc1ccc2oc(C(=O)Nc3cc(Cl)ccc3[O-])cc2n1 ZINC000171464344 1019756761 /nfs/dbraw/zinc/75/67/61/1019756761.db2.gz SVIHKVRDIKDHDN-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2ccccc2s1 ZINC000336880496 1032853587 /nfs/dbraw/zinc/85/35/87/1032853587.db2.gz CHPBSZUHNIZOMZ-UHFFFAOYSA-N -1 3 311.338 3.943 20 0 DHADHM Cc1cccc2nc(-c3cnc4c(F)cccc4c3)[n-]c(=O)c12 ZINC000479199771 1019862854 /nfs/dbraw/zinc/86/28/54/1019862854.db2.gz MZJGGNMWARNCCK-UHFFFAOYSA-N -1 3 305.312 3.998 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285858045 1019876362 /nfs/dbraw/zinc/87/63/62/1019876362.db2.gz AQCFZIMMRNYRNB-QGZVFWFLSA-N -1 3 321.380 3.636 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2cnco2)cc1 ZINC000067145564 1019973957 /nfs/dbraw/zinc/97/39/57/1019973957.db2.gz MERQSJNBJJUVOB-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2c(F)cccc2Cl)n1 ZINC000068074133 1020011391 /nfs/dbraw/zinc/01/13/91/1020011391.db2.gz PKNMICNUWVKHFJ-UHFFFAOYSA-N -1 3 313.785 3.880 20 0 DHADHM COCOc1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001211628966 1020148490 /nfs/dbraw/zinc/14/84/90/1020148490.db2.gz PPENDFBZCBLFOE-UHFFFAOYSA-N -1 3 302.355 3.728 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1N(C)C ZINC000731782679 1020155378 /nfs/dbraw/zinc/15/53/78/1020155378.db2.gz KHHHYIIIJYLYNR-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC000671785731 1020168735 /nfs/dbraw/zinc/16/87/35/1020168735.db2.gz PUPNXENHZMYCLG-UHFFFAOYSA-N -1 3 304.293 3.878 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000612087539 1020191127 /nfs/dbraw/zinc/19/11/27/1020191127.db2.gz WJOMJCMYLKVLIP-HIFRSBDPSA-N -1 3 323.483 3.614 20 0 DHADHM CSCCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000280298116 1020287570 /nfs/dbraw/zinc/28/75/70/1020287570.db2.gz MRVNCIZYUUOTQJ-UHFFFAOYSA-N -1 3 303.427 3.809 20 0 DHADHM CSc1ccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000732964104 1020309002 /nfs/dbraw/zinc/30/90/02/1020309002.db2.gz GQDNJLURRWVVLN-UHFFFAOYSA-N -1 3 324.405 3.527 20 0 DHADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])ccc1Cl)CC2 ZINC000685717838 1020365973 /nfs/dbraw/zinc/36/59/73/1020365973.db2.gz ZTMNMYNPIJODAY-INIZCTEOSA-N -1 3 301.773 3.771 20 0 DHADHM CCN(Cc1ccccc1Cl)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192538907 1020373941 /nfs/dbraw/zinc/37/39/41/1020373941.db2.gz RFEWXFJPUKEQNB-GFCCVEGCSA-N -1 3 305.809 3.727 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000625254897 1020437952 /nfs/dbraw/zinc/43/79/52/1020437952.db2.gz WUJZWDJJOAJQTJ-NXEZZACHSA-N -1 3 312.207 3.558 20 0 DHADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000106910392 1020441895 /nfs/dbraw/zinc/44/18/95/1020441895.db2.gz SYFHTCZGXKDKNX-UONOGXRCSA-N -1 3 317.772 3.796 20 0 DHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000055546865 1020449433 /nfs/dbraw/zinc/44/94/33/1020449433.db2.gz CEVXJLUXVWCDPK-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)c(C)c1 ZINC000055663397 1020455587 /nfs/dbraw/zinc/45/55/87/1020455587.db2.gz MWROLLPCPITNSE-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM C[C@H](C1CCCCC1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000282583903 1020468606 /nfs/dbraw/zinc/46/86/06/1020468606.db2.gz WHCYTJYHUZKFGF-CYBMUJFWSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000765857438 1020525798 /nfs/dbraw/zinc/52/57/98/1020525798.db2.gz OPNUQKGFHWCSMP-SECBINFHSA-N -1 3 314.332 3.560 20 0 DHADHM COc1ccc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2n1 ZINC001143464527 1020555403 /nfs/dbraw/zinc/55/54/03/1020555403.db2.gz JAXMFSICOUVWFN-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM O=C(Nc1cc2c(cn1)CCC2)c1cc([O-])c2ccccc2c1 ZINC000359743693 1020579311 /nfs/dbraw/zinc/57/93/11/1020579311.db2.gz FDLVGVFGPIDCIH-UHFFFAOYSA-N -1 3 304.349 3.681 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000133171454 1020602286 /nfs/dbraw/zinc/60/22/86/1020602286.db2.gz UCUIYRJOLONFTK-UHFFFAOYSA-N -1 3 319.763 3.533 20 0 DHADHM O=C(OCc1ccc2c(c1)CCC2)c1cc(-c2ccco2)[n-]n1 ZINC000734572482 1020627402 /nfs/dbraw/zinc/62/74/02/1020627402.db2.gz FFNFYCBNFWNEPL-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM O=C(OCc1ccc2c(c1)CCC2)c1cc(-c2ccco2)n[n-]1 ZINC000734572482 1020627413 /nfs/dbraw/zinc/62/74/13/1020627413.db2.gz FFNFYCBNFWNEPL-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM CC(C)OC1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685795353 1020676204 /nfs/dbraw/zinc/67/62/04/1020676204.db2.gz NLTCKQNVBBBDKT-UHFFFAOYSA-N -1 3 311.809 3.512 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC=C(C(C)(C)C)CC2)c1 ZINC000613043619 1020787379 /nfs/dbraw/zinc/78/73/79/1020787379.db2.gz TTZXIAJSLMAEMK-UHFFFAOYSA-N -1 3 305.443 3.933 20 0 DHADHM CC(C)CCCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000738962734 1020898691 /nfs/dbraw/zinc/89/86/91/1020898691.db2.gz ZEXVJENKZILTPN-UHFFFAOYSA-N -1 3 310.413 3.937 20 0 DHADHM CCc1nnc(-c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)o1 ZINC000175815055 1021079533 /nfs/dbraw/zinc/07/95/33/1021079533.db2.gz BWYWKQVIFHXJSH-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM [O-]c1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1F ZINC000737461568 1021101053 /nfs/dbraw/zinc/10/10/53/1021101053.db2.gz ONNWTHXYRKFINH-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM Cc1ccc([C@@H](C)NCc2ncc(Br)cc2[O-])cc1 ZINC000892631913 1021128418 /nfs/dbraw/zinc/12/84/18/1021128418.db2.gz PAKWPXDNHXPFMG-LLVKDONJSA-N -1 3 321.218 3.709 20 0 DHADHM CC[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(C)cc1 ZINC000162701024 1021136779 /nfs/dbraw/zinc/13/67/79/1021136779.db2.gz KTDGDAVIGRCBDI-GFCCVEGCSA-N -1 3 303.324 3.879 20 0 DHADHM Cc1nc(-c2c[nH]c(C(=O)Nc3cccc([O-])c3F)c2)cs1 ZINC000128289445 1021212016 /nfs/dbraw/zinc/21/20/16/1021212016.db2.gz JKABUBBIFGHWSW-UHFFFAOYSA-N -1 3 317.345 3.544 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(C(F)(F)F)ccc1F ZINC000128443172 1021254360 /nfs/dbraw/zinc/25/43/60/1021254360.db2.gz YZTSUJDOAKUELE-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM COCOc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001211645841 1021450477 /nfs/dbraw/zinc/45/04/77/1021450477.db2.gz NRKNBRVFJQHJRJ-UHFFFAOYSA-N -1 3 324.174 3.881 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)cc3ccoc32)n1 ZINC001125849492 1021501163 /nfs/dbraw/zinc/50/11/63/1021501163.db2.gz YXIPGKSZVYBMMW-UHFFFAOYSA-N -1 3 319.361 3.973 20 0 DHADHM O=C(CCCOc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000129535195 1021508243 /nfs/dbraw/zinc/50/82/43/1021508243.db2.gz XYSFVQYEMSHISI-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1cccc([O-])c1F ZINC000129554692 1021511137 /nfs/dbraw/zinc/51/11/37/1021511137.db2.gz JOZYAPWDWMHGTJ-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000129760616 1021572402 /nfs/dbraw/zinc/57/24/02/1021572402.db2.gz VCZPBCIEUQWWNK-LLVKDONJSA-N -1 3 305.324 3.878 20 0 DHADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000619449052 1021758144 /nfs/dbraw/zinc/75/81/44/1021758144.db2.gz PROOUNGWFMJGAM-ZDUSSCGKSA-N -1 3 321.421 3.522 20 0 DHADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000619449052 1021758159 /nfs/dbraw/zinc/75/81/59/1021758159.db2.gz PROOUNGWFMJGAM-ZDUSSCGKSA-N -1 3 321.421 3.522 20 0 DHADHM Cc1ccc2snc(C(=O)Nc3cccc([O-])c3F)c2c1 ZINC000556692859 1021816309 /nfs/dbraw/zinc/81/63/09/1021816309.db2.gz DFUIXWPKWVQMIB-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cnccc1Oc1ccccc1 ZINC000337486168 1033024832 /nfs/dbraw/zinc/02/48/32/1033024832.db2.gz ZNWPQLFAOJEOAX-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCc4ccccc43)n[n-]2)o1 ZINC000920130211 1022056834 /nfs/dbraw/zinc/05/68/34/1022056834.db2.gz SFAUYLBWLADHQK-MRXNPFEDSA-N -1 3 308.337 3.822 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCc4ccccc43)[n-]n2)o1 ZINC000920130211 1022056844 /nfs/dbraw/zinc/05/68/44/1022056844.db2.gz SFAUYLBWLADHQK-MRXNPFEDSA-N -1 3 308.337 3.822 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(-c2ccco2)on1 ZINC000040641783 1022061028 /nfs/dbraw/zinc/06/10/28/1022061028.db2.gz FNEPPIMERZMFFY-UHFFFAOYSA-N -1 3 308.215 3.604 20 0 DHADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ccc(OC(F)F)cc1 ZINC000920496975 1022129024 /nfs/dbraw/zinc/12/90/24/1022129024.db2.gz DQXQLEMJGKQDHJ-JTQLQIEISA-N -1 3 308.280 3.912 20 0 DHADHM CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C ZINC000153608050 1022227584 /nfs/dbraw/zinc/22/75/84/1022227584.db2.gz YSDNPLUQHDEGAM-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(F)(F)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000613705478 1022290933 /nfs/dbraw/zinc/29/09/33/1022290933.db2.gz JSZDJGBVIVXYEH-UHFFFAOYSA-N -1 3 308.122 3.529 20 0 DHADHM O=c1[nH]cc(-c2ccccn2)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212590578 1022422617 /nfs/dbraw/zinc/42/26/17/1022422617.db2.gz SNZFNGWFDPTSSQ-UHFFFAOYSA-N -1 3 313.744 3.952 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ncsc2C2CC2)no1 ZINC000893274389 1022464663 /nfs/dbraw/zinc/46/46/63/1022464663.db2.gz JMISILKSYDXHIR-UHFFFAOYSA-N -1 3 321.402 3.576 20 0 DHADHM COC(=O)c1c(F)cc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212594196 1022523830 /nfs/dbraw/zinc/52/38/30/1022523830.db2.gz UGZWWYACDBKRDT-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cc1nc(OCc2ccccc2)ccc1NCc1ncccc1[O-] ZINC001169731639 1022525734 /nfs/dbraw/zinc/52/57/34/1022525734.db2.gz DHAXEGJBCXSUBP-UHFFFAOYSA-N -1 3 321.380 3.682 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC001129348349 1022560788 /nfs/dbraw/zinc/56/07/88/1022560788.db2.gz WPUCKDBOFUEYHU-UHFFFAOYSA-N -1 3 312.350 3.858 20 0 DHADHM Cc1oc(-c2cccs2)nc1COC(=O)c1ccc([O-])cc1 ZINC000010486289 1022678888 /nfs/dbraw/zinc/67/88/88/1022678888.db2.gz XLSBQNOFEBBXIN-UHFFFAOYSA-N -1 3 315.350 3.774 20 0 DHADHM C[C@@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000855807347 1022702158 /nfs/dbraw/zinc/70/21/58/1022702158.db2.gz REIISHBHKNJVDV-MRXNPFEDSA-N -1 3 305.324 3.711 20 0 DHADHM CCSC1(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000856065203 1022745123 /nfs/dbraw/zinc/74/51/23/1022745123.db2.gz OREAEIZBKPMGSE-UHFFFAOYSA-N -1 3 307.440 3.622 20 0 DHADHM COCC1(NC(=O)c2cc([O-])c3ccccc3c2)CCCCC1 ZINC000856454123 1022816165 /nfs/dbraw/zinc/81/61/65/1022816165.db2.gz BKZUGWCUICVFOT-UHFFFAOYSA-N -1 3 313.397 3.625 20 0 DHADHM O=C([N-]c1nc(C2CC2)no1)c1ccc(-c2ccco2)s1 ZINC000768092869 1022878486 /nfs/dbraw/zinc/87/84/86/1022878486.db2.gz JUPBWNKEQVJMBX-UHFFFAOYSA-N -1 3 301.327 3.521 20 0 DHADHM COc1ccc([O-])c(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c1 ZINC000621804457 1022886876 /nfs/dbraw/zinc/88/68/76/1022886876.db2.gz IDOKRTHYCLJEIM-ZFWWWQNUSA-N -1 3 322.364 3.797 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2nc(C(C)C)c(C)s2)cc1[O-] ZINC000617247675 1022895877 /nfs/dbraw/zinc/89/58/77/1022895877.db2.gz NZRZHFSQBIFONJ-UHFFFAOYSA-N -1 3 318.398 3.735 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C2CCCC1CCC2 ZINC000621884993 1022924786 /nfs/dbraw/zinc/92/47/86/1022924786.db2.gz BVTVEKDKJOMTEM-UHFFFAOYSA-N -1 3 313.319 3.958 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cc(Cl)cc(Cl)n2)s1 ZINC000181101080 1022946142 /nfs/dbraw/zinc/94/61/42/1022946142.db2.gz SSGMIVJFYHWHIB-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM CN(C[C@H]1CC=CCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621951497 1022955187 /nfs/dbraw/zinc/95/51/87/1022955187.db2.gz ZVBPKNOZSGZUBO-NSHDSACASA-N -1 3 313.319 3.839 20 0 DHADHM CC(C)Oc1cccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001212318301 1022973908 /nfs/dbraw/zinc/97/39/08/1022973908.db2.gz TUQAQQKQTPOQHT-UHFFFAOYSA-N -1 3 303.337 3.730 20 0 DHADHM O=C([N-]CC(Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000768491953 1022977869 /nfs/dbraw/zinc/97/78/69/1022977869.db2.gz HBEPQTJPJXGZKZ-UHFFFAOYSA-N -1 3 321.342 3.767 20 0 DHADHM COC[C@H](C)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000847880034 1022996514 /nfs/dbraw/zinc/99/65/14/1022996514.db2.gz YHMNKSPUUDZLFE-MRVPVSSYSA-N -1 3 301.795 3.712 20 0 DHADHM Cc1ccc(OCCCCNC(=O)c2c(C)cccc2[O-])cc1 ZINC001625899446 1022999250 /nfs/dbraw/zinc/99/92/50/1022999250.db2.gz UTZYQRLOSQZMBA-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000021730709 1033099586 /nfs/dbraw/zinc/09/95/86/1033099586.db2.gz NPESEWQVHUVSKN-UHFFFAOYSA-N -1 3 318.181 3.731 20 0 DHADHM CCc1csc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000857448064 1023009186 /nfs/dbraw/zinc/00/91/86/1023009186.db2.gz SEZNGJNVXSRIBZ-UHFFFAOYSA-N -1 3 308.215 3.721 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H](C)[C@H]1C ZINC000622110373 1023038459 /nfs/dbraw/zinc/03/84/59/1023038459.db2.gz YCWXROPSICCTTF-UTLUCORTSA-N -1 3 301.308 3.528 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000622286246 1023096880 /nfs/dbraw/zinc/09/68/80/1023096880.db2.gz XNRLNKHDVKWLDI-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1Cc2ccccc2C1 ZINC000622358574 1023120894 /nfs/dbraw/zinc/12/08/94/1023120894.db2.gz SPEZGQSZHPKSJY-UHFFFAOYSA-N -1 3 307.271 3.567 20 0 DHADHM CCc1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000622356145 1023126188 /nfs/dbraw/zinc/12/61/88/1023126188.db2.gz CDJVHFZXSRGMNK-UHFFFAOYSA-N -1 3 318.442 3.639 20 0 DHADHM Cc1n[nH]nc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000194185599 1023157646 /nfs/dbraw/zinc/15/76/46/1023157646.db2.gz IFDLIIDSHITTMW-UHFFFAOYSA-N -1 3 310.810 3.519 20 0 DHADHM CCCCCC[C@H](CCC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172377382 1033112603 /nfs/dbraw/zinc/11/26/03/1033112603.db2.gz BAZRZHRCVBWOJX-JTQLQIEISA-N -1 3 324.450 3.695 20 0 DHADHM Cc1oc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2c1C ZINC000337644999 1033116627 /nfs/dbraw/zinc/11/66/27/1033116627.db2.gz XGOPRSVFEQCBJJ-UHFFFAOYSA-N -1 3 324.315 3.712 20 0 DHADHM C[C@H](CCSc1ccccc1)OC(=O)c1cncc([O-])c1 ZINC000770020792 1023262551 /nfs/dbraw/zinc/26/25/51/1023262551.db2.gz XGJFRMXORSELAK-GFCCVEGCSA-N -1 3 303.383 3.515 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2csc3ccccc23)n1 ZINC000660746798 1023396622 /nfs/dbraw/zinc/39/66/22/1023396622.db2.gz OOXYEAZBYBPTAW-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM COc1cccc(CCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557182190 1023442958 /nfs/dbraw/zinc/44/29/58/1023442958.db2.gz JZYDAKROVFRFKC-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM O=C(OCc1cccc(OC(F)F)c1)c1cc2occc2[n-]1 ZINC000786028625 1023649375 /nfs/dbraw/zinc/64/93/75/1023649375.db2.gz JQAUVWZAVRNKEP-UHFFFAOYSA-N -1 3 307.252 3.719 20 0 DHADHM O=C(OCc1ncc(-c2ccccc2)o1)c1cc2occc2[n-]1 ZINC000786030492 1023652565 /nfs/dbraw/zinc/65/25/65/1023652565.db2.gz GRYCRMVDWHQFKY-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM O=C(OCC[C@@H]1CCCC1=O)c1cc2sccc2c([O-])c1 ZINC000786139451 1023662671 /nfs/dbraw/zinc/66/26/71/1023662671.db2.gz HUCSLOFHBGBUDG-JTQLQIEISA-N -1 3 304.367 3.523 20 0 DHADHM O=C(OCC[C@@H]1CCCCO1)c1cc2sccc2c([O-])c1 ZINC000786141363 1023663072 /nfs/dbraw/zinc/66/30/72/1023663072.db2.gz ZQBYEWCJKGLNNJ-LBPRGKRZSA-N -1 3 306.383 3.723 20 0 DHADHM Cc1nc(COC(=O)c2cc3sccc3c([O-])c2)oc1C ZINC000786140933 1023663397 /nfs/dbraw/zinc/66/33/97/1023663397.db2.gz UANQQUOLAXJSOZ-UHFFFAOYSA-N -1 3 303.339 3.569 20 0 DHADHM Cc1noc(C)c1COC(=O)c1cc2sccc2c([O-])c1 ZINC000786130749 1023665965 /nfs/dbraw/zinc/66/59/65/1023665965.db2.gz HYFWBOMMTVJMEJ-UHFFFAOYSA-N -1 3 303.339 3.569 20 0 DHADHM Cc1cnc([C@@H](C)OC(=O)c2cc3sccc3c([O-])c2)o1 ZINC000786138079 1023666797 /nfs/dbraw/zinc/66/67/97/1023666797.db2.gz QXOKQQCGASUKGO-SECBINFHSA-N -1 3 303.339 3.821 20 0 DHADHM O=C(OC[C@@H]1CC1(Cl)Cl)c1cc2sccc2c([O-])c1 ZINC000786135111 1023666914 /nfs/dbraw/zinc/66/69/14/1023666914.db2.gz VMAPULURVKTTSN-QMMMGPOBSA-N -1 3 317.193 3.958 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OC2CCOCC2)c2ccccc21 ZINC000785288545 1023691822 /nfs/dbraw/zinc/69/18/22/1023691822.db2.gz ATEYELZWTLEDRL-KSSFIOAISA-N -1 3 317.429 3.530 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)c([O-])c1 ZINC000787018877 1023749096 /nfs/dbraw/zinc/74/90/96/1023749096.db2.gz TYQBKXBHVDHDHU-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COc1ccccc1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842840 1023825480 /nfs/dbraw/zinc/82/54/80/1023825480.db2.gz DAXORBTYVDGLLT-UHFFFAOYSA-N -1 3 318.344 3.606 20 0 DHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000787846637 1023826548 /nfs/dbraw/zinc/82/65/48/1023826548.db2.gz XOWSTYMUQQXHCX-GFCCVEGCSA-N -1 3 303.333 3.553 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(Cl)cn1 ZINC000787849853 1023827013 /nfs/dbraw/zinc/82/70/13/1023827013.db2.gz MERAQFAEPGINCR-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccc([O-])c1 ZINC000182283058 1023834437 /nfs/dbraw/zinc/83/44/37/1023834437.db2.gz KOQQFKUQULZAJI-UHFFFAOYSA-N -1 3 317.344 3.876 20 0 DHADHM CC(C)(C)c1cc(COC(=O)c2cc(Cl)c(Cl)[n-]2)no1 ZINC000788059133 1023845727 /nfs/dbraw/zinc/84/57/27/1023845727.db2.gz SKGAYMYQUWLBOS-UHFFFAOYSA-N -1 3 317.172 3.964 20 0 DHADHM CC(C)(C)c1ccc(CCCC(=O)[N-]OC2CCOCC2)cc1 ZINC000772713191 1023850263 /nfs/dbraw/zinc/85/02/63/1023850263.db2.gz XGKLWPPSRPTCOJ-UHFFFAOYSA-N -1 3 319.445 3.534 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000538748342 1033166947 /nfs/dbraw/zinc/16/69/47/1033166947.db2.gz DDJGSEVOVOOVSI-KRWDZBQOSA-N -1 3 311.381 3.550 20 0 DHADHM CCc1nc(CNC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000788302012 1023868075 /nfs/dbraw/zinc/86/80/75/1023868075.db2.gz JWMVSMBDDWJVOC-UHFFFAOYSA-N -1 3 318.423 3.556 20 0 DHADHM CC1(C)CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC000788307308 1023869573 /nfs/dbraw/zinc/86/95/73/1023869573.db2.gz ZMCMCWPELALLPD-UHFFFAOYSA-N -1 3 307.440 3.575 20 0 DHADHM CN(C)c1ccccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000788282590 1023869789 /nfs/dbraw/zinc/86/97/89/1023869789.db2.gz ZSQUTBHUDXSTJS-UHFFFAOYSA-N -1 3 312.394 3.925 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C1CC1 ZINC000652515343 1023905133 /nfs/dbraw/zinc/90/51/33/1023905133.db2.gz ZIAWUQNJKMTOJQ-NWDGAFQWSA-N -1 3 314.212 3.536 20 0 DHADHM O=C(NCC[C@@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000452311750 1024054326 /nfs/dbraw/zinc/05/43/26/1024054326.db2.gz GUSCNZGDROSFFO-ZDUSSCGKSA-N -1 3 315.800 3.896 20 0 DHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])C(C)(C)C ZINC000531253898 1024079041 /nfs/dbraw/zinc/07/90/41/1024079041.db2.gz VWGSDSGUVLJJFP-MRVPVSSYSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc([O-])cc3)o2)c1 ZINC000026400603 1024194728 /nfs/dbraw/zinc/19/47/28/1024194728.db2.gz RODDTMGIBIUFCV-LBPRGKRZSA-N -1 3 324.336 3.669 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000531876333 1024418235 /nfs/dbraw/zinc/41/82/35/1024418235.db2.gz DJKCWGBQMQZSEO-UHFFFAOYSA-N -1 3 320.414 3.617 20 0 DHADHM COC1CCC(N(C)C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000271267471 1024479532 /nfs/dbraw/zinc/47/95/32/1024479532.db2.gz LSTVWMQNXNTZGF-UHFFFAOYSA-N -1 3 305.418 3.545 20 0 DHADHM CCCCC[C@@H](NC(=O)NCc1ncccc1[O-])C(C)(C)C ZINC000792090833 1024629471 /nfs/dbraw/zinc/62/94/71/1024629471.db2.gz DIHMRAAUQWCDHZ-OAHLLOKOSA-N -1 3 307.438 3.581 20 0 DHADHM CS[C@@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792198356 1024647431 /nfs/dbraw/zinc/64/74/31/1024647431.db2.gz LZSZTCCZDSEBIK-UONOGXRCSA-N -1 3 301.411 3.559 20 0 DHADHM Cc1nccc(NC(=O)c2cc([O-])c3ccccc3c2)c1Cl ZINC000792303939 1024659093 /nfs/dbraw/zinc/65/90/93/1024659093.db2.gz WFIUVIKBTULBFU-UHFFFAOYSA-N -1 3 312.756 3.576 20 0 DHADHM Cc1ccncc1[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792295241 1024660089 /nfs/dbraw/zinc/66/00/89/1024660089.db2.gz TXJXQCQLPJJBKH-ZDUSSCGKSA-N -1 3 306.365 3.740 20 0 DHADHM S=c1ccc(NCc2nc(-c3ccccc3)cs2)n[n-]1 ZINC001170243422 1024707069 /nfs/dbraw/zinc/70/70/69/1024707069.db2.gz RVOIAMGKXBMYHV-UHFFFAOYSA-N -1 3 300.412 3.501 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000349916000 1024768751 /nfs/dbraw/zinc/76/87/51/1024768751.db2.gz PLDPRVWYKAWJIO-LRDDRELGSA-N -1 3 312.413 3.977 20 0 DHADHM CCc1ccc(C2CCN(C(=O)c3ccc(N)cc3[O-])CC2)cc1 ZINC000877082106 1033235006 /nfs/dbraw/zinc/23/50/06/1033235006.db2.gz WAYQMIPWSZSYAI-UHFFFAOYSA-N -1 3 324.424 3.557 20 0 DHADHM [O-]c1ccc(F)c(CN2CC=C(c3ccc(O)cc3)CC2)c1F ZINC000350436939 1024812238 /nfs/dbraw/zinc/81/22/38/1024812238.db2.gz CFLNVSVGMFGZID-UHFFFAOYSA-N -1 3 317.335 3.665 20 0 DHADHM COC(=O)c1ccc(OC)c(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001213246487 1024883456 /nfs/dbraw/zinc/88/34/56/1024883456.db2.gz KRLXDUASKNUONN-UHFFFAOYSA-N -1 3 321.760 3.893 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc3ncccc3c2)c1F ZINC000353262016 1025004373 /nfs/dbraw/zinc/00/43/73/1025004373.db2.gz RKASSFWXQGYWIR-UHFFFAOYSA-N -1 3 300.308 3.508 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(O)c2OC)CC)n1 ZINC000279582659 1025079692 /nfs/dbraw/zinc/07/96/92/1025079692.db2.gz WUSKIJPGRATCHS-BENRWUELSA-N -1 3 314.385 3.800 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000859892965 1033264884 /nfs/dbraw/zinc/26/48/84/1033264884.db2.gz NYYGSPURLLIWBH-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM COc1ncc(Nc2cc([O-])c(F)cc2F)cc1C(F)(F)F ZINC001212801571 1025203204 /nfs/dbraw/zinc/20/32/04/1025203204.db2.gz YQSLBTCEIJQVTR-UHFFFAOYSA-N -1 3 320.217 3.836 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)nc2)n1 ZINC000884649958 1025208986 /nfs/dbraw/zinc/20/89/86/1025208986.db2.gz UWPHTJYEUXYHTP-JMGFVUJMSA-N -1 3 324.428 3.511 20 0 DHADHM CSCCO[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000794188350 1025232837 /nfs/dbraw/zinc/23/28/37/1025232837.db2.gz ORJKJKCQXYDNQD-UHFFFAOYSA-N -1 3 321.442 3.818 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)c([O-])c1 ZINC001137218022 1025315258 /nfs/dbraw/zinc/31/52/58/1025315258.db2.gz OFRBLGMRDHPIAN-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM COc1ccc2nc([N-]c3c(Cl)ccc(F)c3F)nnc2c1 ZINC001213943080 1025346510 /nfs/dbraw/zinc/34/65/10/1025346510.db2.gz QUGYFMITRMACIR-UHFFFAOYSA-N -1 3 322.702 3.709 20 0 DHADHM COc1cccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)c1[O-] ZINC000325745405 1025390623 /nfs/dbraw/zinc/39/06/23/1025390623.db2.gz QLYASNXFBYIFQP-CQSZACIVSA-N -1 3 322.364 3.723 20 0 DHADHM COc1cccc(-c2nc([C@H]3CCc4ccccc4C3)no2)c1[O-] ZINC000325745404 1025391071 /nfs/dbraw/zinc/39/10/71/1025391071.db2.gz QLYASNXFBYIFQP-AWEZNQCLSA-N -1 3 322.364 3.723 20 0 DHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1occc1-c1ccccc1 ZINC000354338178 1025408081 /nfs/dbraw/zinc/40/80/81/1025408081.db2.gz DYBVVGVAZPZKQJ-UHFFFAOYSA-N -1 3 308.341 3.585 20 0 DHADHM CC(=O)c1csc([N-]c2ncnc3sc(C)c(C)c32)n1 ZINC000045913761 1025559992 /nfs/dbraw/zinc/55/99/92/1025559992.db2.gz QNATXQBQZVOVHN-UHFFFAOYSA-N -1 3 304.400 3.711 20 0 DHADHM CCc1cc2c([n-]c(CO[C@@H]3CCCC[C@H]3C)nc2=O)s1 ZINC000070694333 1025700140 /nfs/dbraw/zinc/70/01/40/1025700140.db2.gz VECFVLKRAUYYRX-ZWNOBZJWSA-N -1 3 306.431 3.642 20 0 DHADHM CN(Cc1nc2ccccc2o1)Cc1cc(Cl)ccc1[O-] ZINC000093339104 1025761529 /nfs/dbraw/zinc/76/15/29/1025761529.db2.gz MSJNDOWSGVELSY-UHFFFAOYSA-N -1 3 302.761 3.819 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1[O-] ZINC000614861623 1025884521 /nfs/dbraw/zinc/88/45/21/1025884521.db2.gz QWFKVCJLPVQXCL-BBRMVZONSA-N -1 3 323.339 3.749 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2CCC(C3CC3)CC2)c1[O-] ZINC000614861352 1025892013 /nfs/dbraw/zinc/89/20/13/1025892013.db2.gz MZGSTDNGCQIZPB-UHFFFAOYSA-N -1 3 301.386 3.750 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)cc1[O-] ZINC000664011507 1025965703 /nfs/dbraw/zinc/96/57/03/1025965703.db2.gz BJXNOPQHBUUPAB-GOSISDBHSA-N -1 3 323.392 3.818 20 0 DHADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1ccsn1 ZINC001126369741 1025987773 /nfs/dbraw/zinc/98/77/73/1025987773.db2.gz AGOFJGHRQXKFQU-UHFFFAOYSA-N -1 3 318.345 3.892 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001211976566 1026048388 /nfs/dbraw/zinc/04/83/88/1026048388.db2.gz JNZFZESAYBALTA-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CC(C)O[C@@H](COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000664137162 1026243242 /nfs/dbraw/zinc/24/32/42/1026243242.db2.gz XZPVDWZTAQIFHT-IBGZPJMESA-N -1 3 312.365 3.807 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CC34CCCC4)c2)n1 ZINC000747485181 1026254457 /nfs/dbraw/zinc/25/44/57/1026254457.db2.gz QBDBLFZBUUIIBN-OAHLLOKOSA-N -1 3 324.380 3.643 20 0 DHADHM CCSc1cccc(F)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000289998101 1026274647 /nfs/dbraw/zinc/27/46/47/1026274647.db2.gz CKADCWMIOAEUMJ-LBPRGKRZSA-N -1 3 314.382 3.517 20 0 DHADHM CCSc1cccc(F)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000289998101 1026274658 /nfs/dbraw/zinc/27/46/58/1026274658.db2.gz CKADCWMIOAEUMJ-LBPRGKRZSA-N -1 3 314.382 3.517 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cc(F)c(Cl)cc2F)c1F ZINC000513319916 1026477323 /nfs/dbraw/zinc/47/73/23/1026477323.db2.gz FOBUCAYWTNAYII-UHFFFAOYSA-N -1 3 319.685 3.892 20 0 DHADHM CC(C)Oc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000810163150 1026698138 /nfs/dbraw/zinc/69/81/38/1026698138.db2.gz KQVCCFLKTJQHRR-UHFFFAOYSA-N -1 3 319.788 3.763 20 0 DHADHM O=c1cc(CSCCOC2CCC2)nc(-c2ccccc2)[n-]1 ZINC000419475669 1026721214 /nfs/dbraw/zinc/72/12/14/1026721214.db2.gz NJZDMFQGFRFPSF-UHFFFAOYSA-N -1 3 316.426 3.652 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000420272492 1026795668 /nfs/dbraw/zinc/79/56/68/1026795668.db2.gz MDWWQKGRWNPAES-WBMJQRKESA-N -1 3 311.372 3.993 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccnn3)cc2)c1 ZINC001167944318 1026848807 /nfs/dbraw/zinc/84/88/07/1026848807.db2.gz ARIIXHSIEGTHGS-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1nnsc1C(=O)[N-]c1cc(Cl)cc(Cl)c1F ZINC001132584667 1026914733 /nfs/dbraw/zinc/91/47/33/1026914733.db2.gz JURYGIMLNYBJKN-UHFFFAOYSA-N -1 3 306.149 3.545 20 0 DHADHM CCc1cccc(C(=O)N[C@H]2CCCc3nc(C)sc32)c1[O-] ZINC000780788982 1027106262 /nfs/dbraw/zinc/10/62/62/1027106262.db2.gz GBHQYMZHWIBMAD-AWEZNQCLSA-N -1 3 316.426 3.527 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)o1 ZINC000362258762 1027119151 /nfs/dbraw/zinc/11/91/51/1027119151.db2.gz BNOLUJAKFPYUOQ-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1C1CCCCC1 ZINC000562082538 1027226353 /nfs/dbraw/zinc/22/63/53/1027226353.db2.gz NDVFPYXVPKPLOK-UHFFFAOYSA-N -1 3 303.381 4.154 20 0 DHADHM CCc1ccc(C(=O)N(Cc2ccccc2Cl)OC)c([O-])c1 ZINC000812428739 1027279424 /nfs/dbraw/zinc/27/94/24/1027279424.db2.gz KJIKVMGHTDUITA-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM CON(Cc1ccccc1Cl)C(=O)c1ccc(C)cc1[O-] ZINC000812428063 1027279644 /nfs/dbraw/zinc/27/96/44/1027279644.db2.gz DECXWZMTIQCETE-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM O=C(CCCOc1ccc2c(c1)CCCC2)[N-]OC/C=C/Cl ZINC000812407389 1027283439 /nfs/dbraw/zinc/28/34/39/1027283439.db2.gz LTNQTRGDIVPQLZ-ONNFQVAWSA-N -1 3 323.820 3.525 20 0 DHADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OC/C=C/Cl ZINC000812405673 1027283928 /nfs/dbraw/zinc/28/39/28/1027283928.db2.gz DKMQLMMQXDAFFP-LZCJLJQNSA-N -1 3 308.592 3.726 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(C(F)(F)F)cc1 ZINC000812407023 1027284176 /nfs/dbraw/zinc/28/41/76/1027284176.db2.gz UVLRWJCRVSJYQD-BPQDVTRRSA-N -1 3 321.726 3.999 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)Nc2c([O-])cccc2Cl)no1 ZINC000574488570 1027399536 /nfs/dbraw/zinc/39/95/36/1027399536.db2.gz CFWVUPYFYJFGJX-UHFFFAOYSA-N -1 3 324.764 3.601 20 0 DHADHM CC(C)OCCO[N-]C(=O)CCCc1csc2ccccc12 ZINC000812803314 1027426873 /nfs/dbraw/zinc/42/68/73/1027426873.db2.gz BUZMMCUXAAWMME-UHFFFAOYSA-N -1 3 321.442 3.697 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1F ZINC000047247675 1027560881 /nfs/dbraw/zinc/56/08/81/1027560881.db2.gz CZXUKPICLZMRDF-JTQLQIEISA-N -1 3 311.278 3.934 20 0 DHADHM O=C(CCCOc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000576180133 1027577069 /nfs/dbraw/zinc/57/70/69/1027577069.db2.gz QILNGDFECBHALU-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM CCc1cccc(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)c1[O-] ZINC001297105212 1027615694 /nfs/dbraw/zinc/61/56/94/1027615694.db2.gz PXLPWIIYHCLXMU-TVQRCGJNSA-N -1 3 303.324 3.661 20 0 DHADHM O=C([N-][C@H]1CC=C(c2ccc(F)cc2)CC1)C(F)(F)C(F)F ZINC000778134731 1027623435 /nfs/dbraw/zinc/62/34/35/1027623435.db2.gz AXLFVKZWRJHGCE-LBPRGKRZSA-N -1 3 319.273 3.778 20 0 DHADHM COC(=O)c1ccc(OC)c(-c2cc(Cl)ccc2[O-])c1F ZINC001245050438 1027664141 /nfs/dbraw/zinc/66/41/41/1027664141.db2.gz GEXYIKNOEUUFTJ-UHFFFAOYSA-N -1 3 310.708 3.647 20 0 DHADHM [O-]c1cccnc1CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000577100137 1027709033 /nfs/dbraw/zinc/70/90/33/1027709033.db2.gz BJPVPBCGRSLRRL-IBGZPJMESA-N -1 3 320.392 3.697 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3ccc4c(c3)CCC4)no2)c1 ZINC000577337173 1027752531 /nfs/dbraw/zinc/75/25/31/1027752531.db2.gz XZJZTXIOMQOGOM-UHFFFAOYSA-N -1 3 322.364 3.530 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H](CC2CCCC2)C1 ZINC000364583732 1027848262 /nfs/dbraw/zinc/84/82/62/1027848262.db2.gz WKRLANZMQGKGLI-OAHLLOKOSA-N -1 3 324.424 3.571 20 0 DHADHM CN(C(=O)c1cc([O-])cc(Br)c1)C1CCCCC1 ZINC000527779766 1027880990 /nfs/dbraw/zinc/88/09/90/1027880990.db2.gz KRQLHOBHDLEJSA-UHFFFAOYSA-N -1 3 312.207 3.559 20 0 DHADHM COc1ccc([C@H](NCc2cccc([O-])c2Cl)C2CC2)cn1 ZINC000527842206 1027918977 /nfs/dbraw/zinc/91/89/77/1027918977.db2.gz MVDHWZFZHYZVDG-QGZVFWFLSA-N -1 3 318.804 3.690 20 0 DHADHM Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448667223 1027963401 /nfs/dbraw/zinc/96/34/01/1027963401.db2.gz QNCSDHRBCVNLDH-ZDUSSCGKSA-N -1 3 301.361 3.602 20 0 DHADHM CSc1ccc(C(=O)N2CCC[C@H]2c2ccco2)c([O-])c1 ZINC000365578916 1027973557 /nfs/dbraw/zinc/97/35/57/1027973557.db2.gz LBPDGEXSWLMPEO-ZDUSSCGKSA-N -1 3 303.383 3.684 20 0 DHADHM C[C@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1(C)C ZINC000563284730 1027980918 /nfs/dbraw/zinc/98/09/18/1027980918.db2.gz VPHUDJMXGCTUTG-HZMBPMFUSA-N -1 3 313.800 3.973 20 0 DHADHM CSc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000366788066 1028112172 /nfs/dbraw/zinc/11/21/72/1028112172.db2.gz GVKSNPOUNTZBLO-DZGCQCFKSA-N -1 3 323.483 3.614 20 0 DHADHM [O-]c1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1F ZINC000779070150 1028150323 /nfs/dbraw/zinc/15/03/23/1028150323.db2.gz DFTFNFSIWYVOLT-LJQANCHMSA-N -1 3 308.356 3.806 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(C2CC2)oc1C1CC1 ZINC000934946852 1028167635 /nfs/dbraw/zinc/16/76/35/1028167635.db2.gz YMPZIJHULRAJPM-UHFFFAOYSA-N -1 3 315.344 3.809 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC4(CCC4)C3)nc2)n1 ZINC000369172635 1028456607 /nfs/dbraw/zinc/45/66/07/1028456607.db2.gz BLBROIJXBRMADR-UHFFFAOYSA-N -1 3 324.428 3.577 20 0 DHADHM Cc1ccc2[nH]c(SCc3cc(=O)[n-]c(C4CC4)n3)nc2c1 ZINC000564783924 1028500654 /nfs/dbraw/zinc/50/06/54/1028500654.db2.gz MNDQZWCGKYXOHP-UHFFFAOYSA-N -1 3 312.398 3.537 20 0 DHADHM Cc1ccc2nc(SCc3cc(=O)[n-]c(C4CC4)n3)[nH]c2c1 ZINC000564783924 1028500667 /nfs/dbraw/zinc/50/06/67/1028500667.db2.gz MNDQZWCGKYXOHP-UHFFFAOYSA-N -1 3 312.398 3.537 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cc(C3CC3)ccc2F)c1F ZINC000449372455 1028582588 /nfs/dbraw/zinc/58/25/88/1028582588.db2.gz ICYVINVUVMZJJM-UHFFFAOYSA-N -1 3 307.315 3.977 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC000565487621 1028593660 /nfs/dbraw/zinc/59/36/60/1028593660.db2.gz VYTWDOZAUSZAJR-AOOOYVTPSA-N -1 3 312.207 3.520 20 0 DHADHM O=C([O-])c1ccoc1CN(Cc1ccoc1)C1CCCCC1 ZINC000565839112 1028642538 /nfs/dbraw/zinc/64/25/38/1028642538.db2.gz VVHUVRQGDPSPBT-UHFFFAOYSA-N -1 3 303.358 3.906 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000627982002 1028844730 /nfs/dbraw/zinc/84/47/30/1028844730.db2.gz RCSHBMUDMFMQDB-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM CC(F)(F)C(=O)[N-][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000816643315 1028969468 /nfs/dbraw/zinc/96/94/68/1028969468.db2.gz AVWQKHYLFQMVHU-NSHDSACASA-N -1 3 323.261 3.808 20 0 DHADHM O=C(/C=C/COc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000816896462 1029028760 /nfs/dbraw/zinc/02/87/60/1029028760.db2.gz KNFMUMCPKBDWCT-QPJJXVBHSA-N -1 3 303.745 3.619 20 0 DHADHM Cc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)ccc1O ZINC000816950319 1029041059 /nfs/dbraw/zinc/04/10/59/1029041059.db2.gz PZGPMQCLADUQAL-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000816981089 1029048068 /nfs/dbraw/zinc/04/80/68/1029048068.db2.gz ZVENBGBYMDDYEX-AWEZNQCLSA-N -1 3 300.402 3.708 20 0 DHADHM CCCN(Cc1ccc(F)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411203271 1029063506 /nfs/dbraw/zinc/06/35/06/1029063506.db2.gz QQERPQCJYMTESB-CYBMUJFWSA-N -1 3 303.381 3.603 20 0 DHADHM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OCC1CC1 ZINC000817334420 1029131705 /nfs/dbraw/zinc/13/17/05/1029131705.db2.gz JPNPVKAACZOYBD-UHFFFAOYSA-N -1 3 306.793 3.533 20 0 DHADHM CCc1ccc(CC)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000450003906 1029135708 /nfs/dbraw/zinc/13/57/08/1029135708.db2.gz JAJVCMQKBPZZJD-UHFFFAOYSA-N -1 3 301.361 3.837 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C(C)C)cc1[O-] ZINC001135978120 1029232885 /nfs/dbraw/zinc/23/28/85/1029232885.db2.gz IFTOLZYVNYSKBS-GOSISDBHSA-N -1 3 311.381 3.722 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1[O-] ZINC001135978121 1029234236 /nfs/dbraw/zinc/23/42/36/1029234236.db2.gz IFTOLZYVNYSKBS-SFHVURJKSA-N -1 3 311.381 3.722 20 0 DHADHM COCCOc1cc(C)ccc1NCc1c([O-])cccc1Cl ZINC000155493882 1029237616 /nfs/dbraw/zinc/23/76/16/1029237616.db2.gz CPVODXGFDJSHBV-UHFFFAOYSA-N -1 3 321.804 3.991 20 0 DHADHM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000374215157 1029239553 /nfs/dbraw/zinc/23/95/53/1029239553.db2.gz AYRULXARJKHXLQ-ZFWWWQNUSA-N -1 3 311.381 3.506 20 0 DHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929041 1029272344 /nfs/dbraw/zinc/27/23/44/1029272344.db2.gz CTVKGGFOPVSGDW-FUHWJXTLSA-N -1 3 324.424 3.773 20 0 DHADHM CCCCN(C(=O)c1ccc(N)cc1[O-])[C@H](C)c1ccccc1 ZINC000817948481 1029292269 /nfs/dbraw/zinc/29/22/69/1029292269.db2.gz AKBLWVIVUQMQNX-CQSZACIVSA-N -1 3 312.413 3.978 20 0 DHADHM Cn1cccc1[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191185442 1029306854 /nfs/dbraw/zinc/30/68/54/1029306854.db2.gz SIYMVIRGBXKLOQ-CQSZACIVSA-N -1 3 308.784 3.860 20 0 DHADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000044027073 1029312879 /nfs/dbraw/zinc/31/28/79/1029312879.db2.gz JBVWUKGMPGVCHO-GHXNOFRVSA-N -1 3 306.296 3.802 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)c(Cl)cc1F ZINC000799242633 1029313122 /nfs/dbraw/zinc/31/31/22/1029313122.db2.gz DKNPJAUFFGLZPG-LLVKDONJSA-N -1 3 323.151 3.712 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)c(Cl)cc1F ZINC000799242633 1029313136 /nfs/dbraw/zinc/31/31/36/1029313136.db2.gz DKNPJAUFFGLZPG-LLVKDONJSA-N -1 3 323.151 3.712 20 0 DHADHM CC(C)(C)c1csc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC000629378957 1029319504 /nfs/dbraw/zinc/31/95/04/1029319504.db2.gz VQODGMCPVIQEMD-FRRDWIJNSA-N -1 3 322.474 3.516 20 0 DHADHM COc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])c(Cl)c1 ZINC000818328727 1029366691 /nfs/dbraw/zinc/36/66/91/1029366691.db2.gz FJIURHDXGHFJIO-ZDUSSCGKSA-N -1 3 311.809 3.568 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC2(CC2)CC1 ZINC000629643672 1029400120 /nfs/dbraw/zinc/40/01/20/1029400120.db2.gz GSKASROCTBQJFT-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM O=C(NC1(Cc2ccccc2)CCC1)c1cc([O-])ccc1Cl ZINC000570857664 1029430609 /nfs/dbraw/zinc/43/06/09/1029430609.db2.gz NJJTYLNUYSRSCR-UHFFFAOYSA-N -1 3 315.800 3.941 20 0 DHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000412815845 1029533181 /nfs/dbraw/zinc/53/31/81/1029533181.db2.gz VVBHOZHSMRHWQJ-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303429796 1029750002 /nfs/dbraw/zinc/75/00/02/1029750002.db2.gz BRGIHNHBXQBZNR-NEPJUHHUSA-N -1 3 322.286 3.548 20 0 DHADHM COc1cccc(-c2nc(C3(c4ccccc4)CCC3)no2)c1[O-] ZINC000391623160 1029769669 /nfs/dbraw/zinc/76/96/69/1029769669.db2.gz OFCGINYNPGUKSE-UHFFFAOYSA-N -1 3 322.364 3.921 20 0 DHADHM CC1(C)CC(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000357332293 1030001409 /nfs/dbraw/zinc/00/14/09/1030001409.db2.gz FUCRCQSXWVLCHS-UHFFFAOYSA-N -1 3 310.357 3.593 20 0 DHADHM C[C@@H]1CC=CC[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000357336832 1030004824 /nfs/dbraw/zinc/00/48/24/1030004824.db2.gz MNAXWSKELXMDFQ-YPMHNXCESA-N -1 3 322.368 3.759 20 0 DHADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])c2ccccc12 ZINC000530897394 1030062056 /nfs/dbraw/zinc/06/20/56/1030062056.db2.gz ZIIBVWUKIKKFRI-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1[O-] ZINC000530955453 1030098764 /nfs/dbraw/zinc/09/87/64/1030098764.db2.gz LGISOZIPASHYQN-MRXNPFEDSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2nc(C(C)(C)C)cs2)cc1 ZINC000120881163 1030123102 /nfs/dbraw/zinc/12/31/02/1030123102.db2.gz GRLSWZQKTGWPIY-UHFFFAOYSA-N -1 3 318.442 3.540 20 0 DHADHM CC(C)(C)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000016719030 1030475872 /nfs/dbraw/zinc/47/58/72/1030475872.db2.gz IXBCGKPBPVKPHF-SFQUDFHCSA-N -1 3 320.392 3.707 20 0 DHADHM Cc1sc(NC(=O)[N-]OCc2ccc(F)cc2)nc1C(C)C ZINC000824273765 1030504272 /nfs/dbraw/zinc/50/42/72/1030504272.db2.gz UVCANEGCMYPDTA-UHFFFAOYSA-N -1 3 323.393 3.967 20 0 DHADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2[O-])C12CCCCC2 ZINC001136841654 1030509281 /nfs/dbraw/zinc/50/92/81/1030509281.db2.gz FJCZFPRPAKHMKA-DLBZAZTESA-N -1 3 317.429 3.558 20 0 DHADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(C)cc2[O-])C12CCCCC2 ZINC001136841656 1030511090 /nfs/dbraw/zinc/51/10/90/1030511090.db2.gz FJCZFPRPAKHMKA-IRXDYDNUSA-N -1 3 317.429 3.558 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1cc(F)ccc1F ZINC001136846747 1030515959 /nfs/dbraw/zinc/51/59/59/1030515959.db2.gz JPLPFDAQPVRQKO-OAHLLOKOSA-N -1 3 305.324 3.860 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000072697457 1030579653 /nfs/dbraw/zinc/57/96/53/1030579653.db2.gz RHCCKOKHDJIULI-TXEJJXNPSA-N -1 3 311.385 3.845 20 0 DHADHM [O-]c1ccc(Nc2nc(F)c(F)c(Cl)c2F)c(F)c1F ZINC001212005853 1030640597 /nfs/dbraw/zinc/64/05/97/1030640597.db2.gz XWYZGPRXMGCBGN-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM Nc1c(F)c(F)c(Nc2ccc([O-])c(F)c2F)c(F)c1F ZINC001212011206 1030655307 /nfs/dbraw/zinc/65/53/07/1030655307.db2.gz XSOCPIMIAPRDFZ-UHFFFAOYSA-N -1 3 308.181 3.553 20 0 DHADHM Cc1cc(=O)c2ccc(Nc3ccc([O-])c(F)c3F)cc2o1 ZINC001212013789 1030659213 /nfs/dbraw/zinc/65/92/13/1030659213.db2.gz JYNIEKNMVLHVOM-UHFFFAOYSA-N -1 3 303.264 3.829 20 0 DHADHM CCCC(=CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)CCC ZINC000825304532 1030772292 /nfs/dbraw/zinc/77/22/92/1030772292.db2.gz AYPPZCPUDBPRJE-UHFFFAOYSA-N -1 3 317.433 3.593 20 0 DHADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000844042981 1030939774 /nfs/dbraw/zinc/93/97/74/1030939774.db2.gz HUTUGKAKLLEQLA-TXEJJXNPSA-N -1 3 319.426 3.683 20 0 DHADHM Cc1noc(C2CC2)c1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC000844154391 1030969144 /nfs/dbraw/zinc/96/91/44/1030969144.db2.gz YSAMMAAGRQTKOD-UHFFFAOYSA-N -1 3 315.354 3.829 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)C(F)(F)Cc1ccccc1 ZINC000795133399 1031040356 /nfs/dbraw/zinc/04/03/56/1031040356.db2.gz CUKWOUQCIVROJU-UHFFFAOYSA-N -1 3 320.217 3.510 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1nsc2ccc(C)cc21 ZINC000645719987 1031116295 /nfs/dbraw/zinc/11/62/95/1031116295.db2.gz AFQRFHOTDOOTFO-UHFFFAOYSA-N -1 3 315.423 3.974 20 0 DHADHM Cc1cc(C)c(CC(=O)[N-]OCCCC(F)(F)F)c(C)c1 ZINC000871214838 1031164610 /nfs/dbraw/zinc/16/46/10/1031164610.db2.gz TYLOXJLOWGUJDF-UHFFFAOYSA-N -1 3 303.324 3.545 20 0 DHADHM Cc1cc(COc2ccc3c([O-])coc3c2C)cc(Cl)n1 ZINC000871800365 1031319407 /nfs/dbraw/zinc/31/94/07/1031319407.db2.gz GXLGHTJJJWAAKF-UHFFFAOYSA-N -1 3 303.745 3.506 20 0 DHADHM CCSc1cc(CNCc2cccc([O-])c2Cl)ccn1 ZINC000293229540 1031389404 /nfs/dbraw/zinc/38/94/04/1031389404.db2.gz KOCWLTLRCLBTRJ-UHFFFAOYSA-N -1 3 308.834 3.842 20 0 DHADHM Cc1cccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1C ZINC000360375602 1031401255 /nfs/dbraw/zinc/40/12/55/1031401255.db2.gz WUSVPQDHKLAVFX-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000872022622 1031404912 /nfs/dbraw/zinc/40/49/12/1031404912.db2.gz ZQRJXFFSEYARMZ-QWRGUYRKSA-N -1 3 303.333 3.672 20 0 DHADHM COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872045049 1031433774 /nfs/dbraw/zinc/43/37/74/1031433774.db2.gz HVPZNJZFFJERNL-RISCZKNCSA-N -1 3 317.360 3.714 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000536890152 1031470408 /nfs/dbraw/zinc/47/04/08/1031470408.db2.gz NUIIDTNMVNVGRO-QWHCGFSZSA-N -1 3 305.736 3.927 20 0 DHADHM CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872088414 1031485668 /nfs/dbraw/zinc/48/56/68/1031485668.db2.gz OBWLCLGRAVOKLA-FASAQXTFSA-N -1 3 317.404 3.940 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC000872157667 1031542019 /nfs/dbraw/zinc/54/20/19/1031542019.db2.gz PWHVNJFAACGWGT-LLVKDONJSA-N -1 3 305.399 3.648 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCCC(C)(C)C)CC2 ZINC000872166452 1031544853 /nfs/dbraw/zinc/54/48/53/1031544853.db2.gz IZCZESFQADLRHN-UHFFFAOYSA-N -1 3 305.418 3.578 20 0 DHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCC(C)(C)CC)c1C ZINC000872366358 1031593245 /nfs/dbraw/zinc/59/32/45/1031593245.db2.gz CYAWJMBVQOZOLH-LBPRGKRZSA-N -1 3 315.483 3.731 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC001144558921 1031710670 /nfs/dbraw/zinc/71/06/70/1031710670.db2.gz FRVDNJPEYNNTSY-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM COc1ccccc1C[C@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144562087 1031714088 /nfs/dbraw/zinc/71/40/88/1031714088.db2.gz YDNMMAGLVTVIKS-LBPRGKRZSA-N -1 3 321.367 3.742 20 0 DHADHM CCO[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(C)C ZINC000476145735 1031721127 /nfs/dbraw/zinc/72/11/27/1031721127.db2.gz IRKZKEWAOUMCPF-CYBMUJFWSA-N -1 3 319.323 3.801 20 0 DHADHM O=C(CCCc1ccc2c(c1)CCCC2)[N-]OCc1cccnc1 ZINC000845854187 1031756639 /nfs/dbraw/zinc/75/66/39/1031756639.db2.gz DWZQOXUVHXVDED-UHFFFAOYSA-N -1 3 324.424 3.531 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000476256834 1031775351 /nfs/dbraw/zinc/77/53/51/1031775351.db2.gz VSEDOFIQFCFYMC-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc2cc(O)ccc21 ZINC001144631128 1031780470 /nfs/dbraw/zinc/78/04/70/1031780470.db2.gz HTPLQLWGULBKEA-UHFFFAOYSA-N -1 3 311.312 3.571 20 0 DHADHM CC1(C)CCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)O1 ZINC001144659437 1031813990 /nfs/dbraw/zinc/81/39/90/1031813990.db2.gz IUSTYWPGFMCCAM-UHFFFAOYSA-N -1 3 311.372 3.594 20 0 DHADHM CC1(C)CN(Cc2sccc2C(=O)[O-])Cc2ccccc21 ZINC001144680891 1031826852 /nfs/dbraw/zinc/82/68/52/1031826852.db2.gz XJGAVQVKLKZCJF-UHFFFAOYSA-N -1 3 301.411 3.740 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000626404492 1031863941 /nfs/dbraw/zinc/86/39/41/1031863941.db2.gz GCQRXCKSKSWKEC-GHMZBOCLSA-N -1 3 301.308 3.504 20 0 DHADHM CCOCc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000361416486 1031914147 /nfs/dbraw/zinc/91/41/47/1031914147.db2.gz SLBVUZZMRMARPJ-UHFFFAOYSA-N -1 3 300.383 3.909 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000044253892 1032043531 /nfs/dbraw/zinc/04/35/31/1032043531.db2.gz BTKTUORVWHMAOH-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)(C)c1ccc(CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000777966342 1032050623 /nfs/dbraw/zinc/05/06/23/1032050623.db2.gz CDXINFZMTFAJGO-UHFFFAOYSA-N -1 3 303.324 3.527 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H](CCc2ccccc2)C(F)(F)F)n1 ZINC000478256042 1033443678 /nfs/dbraw/zinc/44/36/78/1033443678.db2.gz MHCMRUDHGYIHOF-INIZCTEOSA-N -1 3 324.346 3.749 20 0 DHADHM COC(=O)c1cnc(S[C@H](C)c2c(C)cc(C)cc2C)[n-]1 ZINC000566833574 1033580474 /nfs/dbraw/zinc/58/04/74/1033580474.db2.gz WASYFNDDOIJEAF-GFCCVEGCSA-N -1 3 304.415 3.975 20 0 DHADHM CC(=O)CCCCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000862077937 1033757116 /nfs/dbraw/zinc/75/71/16/1033757116.db2.gz MTXLRARCPJAPCZ-UHFFFAOYSA-N -1 3 319.426 3.876 20 0 DHADHM COc1ccc(Nc2cccc([O-])c2Br)c(OC)c1 ZINC001173893136 1033927513 /nfs/dbraw/zinc/92/75/13/1033927513.db2.gz QIKPSHAAMXXUHL-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174187164 1034203680 /nfs/dbraw/zinc/20/36/80/1034203680.db2.gz ZNIFKVJKAVYBAW-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(CC2CC2)s1 ZINC000880123687 1034218670 /nfs/dbraw/zinc/21/86/70/1034218670.db2.gz VQKGUISATDKBAS-UHFFFAOYSA-N -1 3 308.790 3.707 20 0 DHADHM [O-]c1c(Br)c(F)ccc1Nc1ccc2nccn2c1 ZINC001174280144 1034244365 /nfs/dbraw/zinc/24/43/65/1034244365.db2.gz RPGVRDABHOQQMP-UHFFFAOYSA-N -1 3 322.137 3.685 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174319546 1034284075 /nfs/dbraw/zinc/28/40/75/1034284075.db2.gz SXHFZBDOYMZMMM-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM CC(C)=CC[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864528614 1034376915 /nfs/dbraw/zinc/37/69/15/1034376915.db2.gz QQWLRRVKRSOWTG-CYBMUJFWSA-N -1 3 302.201 3.893 20 0 DHADHM CC(C)CCn1cc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001174413533 1034400798 /nfs/dbraw/zinc/40/07/98/1034400798.db2.gz YVICWOUQVDDYKN-UHFFFAOYSA-N -1 3 302.403 3.988 20 0 DHADHM O=c1cc(Nc2cc(F)ccc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001174485163 1034406053 /nfs/dbraw/zinc/40/60/53/1034406053.db2.gz KCZVPQILBFNGBM-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM CC(F)(F)c1cc(F)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000880719789 1034411894 /nfs/dbraw/zinc/41/18/94/1034411894.db2.gz HLEKWFYBJQBLHU-LBPRGKRZSA-N -1 3 318.295 3.517 20 0 DHADHM CC(F)(F)c1cc(F)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000880719789 1034411898 /nfs/dbraw/zinc/41/18/98/1034411898.db2.gz HLEKWFYBJQBLHU-LBPRGKRZSA-N -1 3 318.295 3.517 20 0 DHADHM CC(C)=CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000480701896 1034412612 /nfs/dbraw/zinc/41/26/12/1034412612.db2.gz USKNFXYNKLYESY-UHFFFAOYSA-N -1 3 308.230 3.628 20 0 DHADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000183704036 1034414811 /nfs/dbraw/zinc/41/48/11/1034414811.db2.gz BRYPCURTRUNEDX-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CC(F)(F)c1c(F)cccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000880733750 1034417603 /nfs/dbraw/zinc/41/76/03/1034417603.db2.gz VXYYAQGWDNCBHQ-NSHDSACASA-N -1 3 318.295 3.517 20 0 DHADHM CC(F)(F)c1c(F)cccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000880733750 1034417615 /nfs/dbraw/zinc/41/76/15/1034417615.db2.gz VXYYAQGWDNCBHQ-NSHDSACASA-N -1 3 318.295 3.517 20 0 DHADHM CC(C)c1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899248598 1034540737 /nfs/dbraw/zinc/54/07/37/1034540737.db2.gz XXOSSQKXRAIKGF-UHFFFAOYSA-N -1 3 301.268 3.878 20 0 DHADHM O=C(CC[C@H]1CCc2ccccc21)[N-]OCCCC(F)(F)F ZINC000881430960 1034593233 /nfs/dbraw/zinc/59/32/33/1034593233.db2.gz OWPHZKRGJHIBOC-CYBMUJFWSA-N -1 3 315.335 3.887 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(OC)c2F)CC)n1 ZINC000899371007 1034618588 /nfs/dbraw/zinc/61/85/88/1034618588.db2.gz CQODCRMVQWCJJD-PKNBQFBNSA-N -1 3 317.364 3.628 20 0 DHADHM O=c1cc(Nc2cc(F)c(F)c(F)c2)[n-]n1-c1ccccc1 ZINC001174958642 1034709554 /nfs/dbraw/zinc/70/95/54/1034709554.db2.gz XFOJEQSYRWWVSY-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM Cc1nccn1-c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099922 1034780699 /nfs/dbraw/zinc/78/06/99/1034780699.db2.gz HJXFLPDGLCFKBB-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM COc1cc2cccnc2c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100364 1034782479 /nfs/dbraw/zinc/78/24/79/1034782479.db2.gz QZZAEHLDMCXENM-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COC(=O)[C@H](C)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175103735 1034785447 /nfs/dbraw/zinc/78/54/47/1034785447.db2.gz YEVMNTSZXDOGEF-SECBINFHSA-N -1 3 307.296 3.691 20 0 DHADHM CC1(C)COC(c2ccc(Nc3c(F)cc([O-])cc3F)cc2)=N1 ZINC001175103728 1034786135 /nfs/dbraw/zinc/78/61/35/1034786135.db2.gz XMBRIOOVYOPIIO-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM O=c1cc(Nc2cc(C(F)(F)F)ccc2F)nc(C2CC2)[n-]1 ZINC001175075207 1034795705 /nfs/dbraw/zinc/79/57/05/1034795705.db2.gz IMOYXYNACYTFAJ-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000192735912 1034815999 /nfs/dbraw/zinc/81/59/99/1034815999.db2.gz NGWWKJZTEZAYOG-UWVGGRQHSA-N -1 3 309.772 3.695 20 0 DHADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)ccc1F ZINC000192737523 1034816640 /nfs/dbraw/zinc/81/66/40/1034816640.db2.gz VCSRPWBLXOCIJI-YGRLFVJLSA-N -1 3 307.344 3.571 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccnc2Br)c1F ZINC001175263256 1034911528 /nfs/dbraw/zinc/91/15/28/1034911528.db2.gz QTSRPXVSNSYBTP-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccnc2N2CCCCC2)c1F ZINC001175262560 1034912752 /nfs/dbraw/zinc/91/27/52/1034912752.db2.gz KEQYZVFVLLYSCM-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnc(OC(F)(F)F)c2)c1F ZINC001175265923 1034913652 /nfs/dbraw/zinc/91/36/52/1034913652.db2.gz MOSNULVMILCYNR-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM Cc1ccc(Br)nc1Nc1c(F)ccc([O-])c1F ZINC001175265946 1034914394 /nfs/dbraw/zinc/91/43/94/1034914394.db2.gz MXMRZQNYLQIHKX-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM COC(=O)c1c(Cl)cccc1Nc1c(F)ccc([O-])c1F ZINC001175267585 1034914741 /nfs/dbraw/zinc/91/47/41/1034914741.db2.gz BGXCBYLLVCKJLT-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)c1cc(F)c(C)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270921 1034915834 /nfs/dbraw/zinc/91/58/34/1034915834.db2.gz OCGWFADAYNDXQU-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM COC(=O)c1cc(C)c(Nc2c(F)ccc([O-])c2F)cc1C ZINC001175270455 1034917006 /nfs/dbraw/zinc/91/70/06/1034917006.db2.gz ZKRQFRGKHNRZSZ-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM Cc1ccccc1OCCCNC(=O)c1cc([O-])ccc1Cl ZINC000555889558 1034955508 /nfs/dbraw/zinc/95/55/08/1034955508.db2.gz DYKOGIQWTOJPNR-UHFFFAOYSA-N -1 3 319.788 3.553 20 0 DHADHM Clc1ccc2c(c1)nccc2Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428580 1034978105 /nfs/dbraw/zinc/97/81/05/1034978105.db2.gz LRJRXRRVUBEHFC-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Cc1ccc(-c2cc(Nc3ccc(-c4nn[n-]n4)cc3)on2)cc1 ZINC001175424662 1034978395 /nfs/dbraw/zinc/97/83/95/1034978395.db2.gz ACINFZAVFQBPRW-UHFFFAOYSA-N -1 3 318.340 3.574 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc2c[nH]nc21 ZINC001175641523 1035058420 /nfs/dbraw/zinc/05/84/20/1035058420.db2.gz OYVDFZZZDQTUEU-UHFFFAOYSA-N -1 3 322.137 3.914 20 0 DHADHM O=C(NC1CC1)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001175609330 1035064454 /nfs/dbraw/zinc/06/44/54/1035064454.db2.gz ZENVZTLTMCZRHY-UHFFFAOYSA-N -1 3 302.761 3.681 20 0 DHADHM Brc1ccc2oc([N-]c3cnn(C4CC4)c3)nc2c1 ZINC001175958715 1035165727 /nfs/dbraw/zinc/16/57/27/1035165727.db2.gz OIGNRVPVYXPNMS-UHFFFAOYSA-N -1 3 319.162 3.865 20 0 DHADHM O=C([O-])CC1(CN2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000568060828 1035172821 /nfs/dbraw/zinc/17/28/21/1035172821.db2.gz PPJFPOHSRFEUEG-CYBMUJFWSA-N -1 3 316.426 3.688 20 0 DHADHM CN(C)C(=O)c1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001176046893 1035196015 /nfs/dbraw/zinc/19/60/15/1035196015.db2.gz USUVONSTOYWYCT-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM COc1cc(Nc2cc(=O)[n-]n2C2CCCC2)c(F)cc1F ZINC001176106470 1035205087 /nfs/dbraw/zinc/20/50/87/1035205087.db2.gz FKLVWFCLUBWGGV-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM CC(C)(C)c1nc([N-]c2ccc(O)cc2C(F)(F)F)no1 ZINC001176337741 1035243196 /nfs/dbraw/zinc/24/31/96/1035243196.db2.gz CGPBCLRBZURDDR-UHFFFAOYSA-N -1 3 301.268 3.835 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(CC)ccc2[O-])C1 ZINC000162867560 1035278659 /nfs/dbraw/zinc/27/86/59/1035278659.db2.gz IQQZQIYLERWZTD-UONOGXRCSA-N -1 3 307.459 3.701 20 0 DHADHM CCN(CC)C(=O)c1cc([N-]c2nnc(C(C)C)o2)ccc1F ZINC001176514322 1035284918 /nfs/dbraw/zinc/28/49/18/1035284918.db2.gz QRCZXMSRNKWGKT-UHFFFAOYSA-N -1 3 320.368 3.558 20 0 DHADHM CCN1CCN(C(=S)[N-]c2ccccc2SC)C(C)(C)C1 ZINC001249701947 1035343457 /nfs/dbraw/zinc/34/34/57/1035343457.db2.gz KGNQAMKZJRWXKQ-UHFFFAOYSA-N -1 3 323.531 3.521 20 0 DHADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cc(F)ccc2C)c1 ZINC000904045130 1035351589 /nfs/dbraw/zinc/35/15/89/1035351589.db2.gz HKOKJUBKNYOWSZ-QGZVFWFLSA-N -1 3 301.361 3.748 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc2cccnc2o1 ZINC000904027023 1035353657 /nfs/dbraw/zinc/35/36/57/1035353657.db2.gz SIARHNPRKZDPOZ-KRWDZBQOSA-N -1 3 324.380 3.696 20 0 DHADHM CCO[C@H](c1noc(-c2cc(OC)ccc2[O-])n1)C1CCCC1 ZINC000904144094 1035376355 /nfs/dbraw/zinc/37/63/55/1035376355.db2.gz VZSASTUHXYNYLE-HNNXBMFYSA-N -1 3 318.373 3.719 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436688747 1035468797 /nfs/dbraw/zinc/46/87/97/1035468797.db2.gz LQSVUEYULIRRPN-UHFFFAOYSA-N -1 3 319.401 3.553 20 0 DHADHM Cc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485129079 1035476073 /nfs/dbraw/zinc/47/60/73/1035476073.db2.gz FWVTUXMZLHJJFP-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485129079 1035476074 /nfs/dbraw/zinc/47/60/74/1035476074.db2.gz FWVTUXMZLHJJFP-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C=Cc1cc(F)cc(F)c1 ZINC001179567209 1035482492 /nfs/dbraw/zinc/48/24/92/1035482492.db2.gz IGTUMDDGLLCGSN-AATRIKPKSA-N -1 3 317.291 3.525 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927432864 1035486613 /nfs/dbraw/zinc/48/66/13/1035486613.db2.gz FVIBTTOREHFXOT-KBXCAEBGSA-N -1 3 305.393 3.551 20 0 DHADHM CCc1ccc(C(=O)N[C@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC001179795494 1035504484 /nfs/dbraw/zinc/50/44/84/1035504484.db2.gz GBQGIYAOLNCLEW-ZDUSSCGKSA-N -1 3 305.443 3.503 20 0 DHADHM COc1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000485352721 1035558539 /nfs/dbraw/zinc/55/85/39/1035558539.db2.gz FBEXXLAGOMLRPK-UHFFFAOYSA-N -1 3 321.163 3.906 20 0 DHADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1c([O-])cccc1Cl ZINC000646488026 1035673943 /nfs/dbraw/zinc/67/39/43/1035673943.db2.gz BASMSGRGFIBKBW-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193732963 1035710745 /nfs/dbraw/zinc/71/07/45/1035710745.db2.gz CNHATTGTTBTJAP-NXEZZACHSA-N -1 3 301.308 3.814 20 0 DHADHM C[C@]1(F)CCCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193735841 1035711003 /nfs/dbraw/zinc/71/10/03/1035711003.db2.gz UGCQVBPGNUXOQX-AWEZNQCLSA-N -1 3 319.298 3.765 20 0 DHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc([O-])cc1C(F)(F)F ZINC001193758475 1035730322 /nfs/dbraw/zinc/73/03/22/1035730322.db2.gz SQMYIPHXMMAKGO-QMMMGPOBSA-N -1 3 323.261 3.719 20 0 DHADHM Cc1nc(NC(=O)c2cc(C(C)C)ccc2Cl)cc(=O)[n-]1 ZINC001193844899 1035750993 /nfs/dbraw/zinc/75/09/93/1035750993.db2.gz KNVMXYFNTFPYAH-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM Cc1[nH]c2c(cccc2NC(=O)c2c(C)cc(O)cc2[O-])c1C ZINC001193939075 1035763117 /nfs/dbraw/zinc/76/31/17/1035763117.db2.gz WUGYYTRTVBNZQA-UHFFFAOYSA-N -1 3 310.353 3.757 20 0 DHADHM COc1cccc2c(NC(=O)c3c(C)cc(O)cc3[O-])cccc12 ZINC001193937877 1035764029 /nfs/dbraw/zinc/76/40/29/1035764029.db2.gz KLAKXFBJZKTORF-UHFFFAOYSA-N -1 3 323.348 3.820 20 0 DHADHM CSc1ccccc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000539688928 1035827682 /nfs/dbraw/zinc/82/76/82/1035827682.db2.gz UJSMZYMMOIVIPX-UHFFFAOYSA-N -1 3 307.802 3.949 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC3(CC(F)(F)C3)CC2)c1F ZINC001233393732 1035953082 /nfs/dbraw/zinc/95/30/82/1035953082.db2.gz JDHJGRPHRFITAX-UHFFFAOYSA-N -1 3 303.299 3.682 20 0 DHADHM COc1ccc(CN2CC(F)(F)C[C@]2(C)CF)c(Cl)c1[O-] ZINC001233398091 1035954362 /nfs/dbraw/zinc/95/43/62/1035954362.db2.gz XXOOPMJDVIRZAU-CYBMUJFWSA-N -1 3 323.742 3.623 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC001194602604 1035968704 /nfs/dbraw/zinc/96/87/04/1035968704.db2.gz HTGKWYQRYOHUJY-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1coc(Br)c1 ZINC000153495573 1036043898 /nfs/dbraw/zinc/04/38/98/1036043898.db2.gz QXYLBSQKFGBXTG-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM Cc1ccc(N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000101562144 1036106172 /nfs/dbraw/zinc/10/61/72/1036106172.db2.gz HGAJVCXSZOEBQC-UHFFFAOYSA-N -1 3 319.364 3.614 20 0 DHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1O ZINC001195158712 1036165479 /nfs/dbraw/zinc/16/54/79/1036165479.db2.gz DNXXPBVTGRPGGY-UHFFFAOYSA-N -1 3 323.389 3.764 20 0 DHADHM CCc1nc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])cs1 ZINC000668594724 1036171309 /nfs/dbraw/zinc/17/13/09/1036171309.db2.gz ZJTIMBDTPCWFDS-SECBINFHSA-N -1 3 322.455 3.624 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCCC1(F)F ZINC001195327449 1036204459 /nfs/dbraw/zinc/20/44/59/1036204459.db2.gz CVBKZMBUYZWWHN-NSHDSACASA-N -1 3 323.792 3.505 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1F ZINC001195308113 1036215408 /nfs/dbraw/zinc/21/54/08/1036215408.db2.gz HFGHOCIOQFHHAV-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303589 1036252042 /nfs/dbraw/zinc/25/20/42/1036252042.db2.gz FWIGFDHHQHWZFV-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182358746 1036258062 /nfs/dbraw/zinc/25/80/62/1036258062.db2.gz FZOOJIDCZKMJBP-STQMWFEESA-N -1 3 322.286 3.548 20 0 DHADHM Cn1c2ccc(F)cc2nc1-c1c([O-])cccc1Br ZINC001250843740 1036336465 /nfs/dbraw/zinc/33/64/65/1036336465.db2.gz OVBUEIBGEWQXBW-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM COC(=O)c1coc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000774461939 1036342583 /nfs/dbraw/zinc/34/25/83/1036342583.db2.gz FCWORQBKLOVCKU-MRVPVSSYSA-N -1 3 319.338 3.527 20 0 DHADHM Cc1ccc(F)cc1NC(=S)Nc1ncc([O-])cc1Cl ZINC001195890524 1036366516 /nfs/dbraw/zinc/36/65/16/1036366516.db2.gz WGOHUSVBWDOYTC-UHFFFAOYSA-N -1 3 311.769 3.697 20 0 DHADHM C[C@H](c1ccccc1F)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053456173 1036370917 /nfs/dbraw/zinc/37/09/17/1036370917.db2.gz QRJRUPHBYQWHLP-GFCCVEGCSA-N -1 3 324.355 3.500 20 0 DHADHM O=C(C[C@@H]1CCc2ccc(F)cc21)Nc1ccc(F)c([O-])c1 ZINC001182593416 1036398258 /nfs/dbraw/zinc/39/82/58/1036398258.db2.gz OUXAVANJUXXWOP-NSHDSACASA-N -1 3 303.308 3.729 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)C(F)(F)c1ccc(F)cc1 ZINC001182891216 1036476416 /nfs/dbraw/zinc/47/64/16/1036476416.db2.gz WIUMDNFAFDDMCB-UHFFFAOYSA-N -1 3 315.678 3.915 20 0 DHADHM CCCCOc1ccc(C(=O)NCC2(CCC)CC2)c([O-])c1 ZINC001182967787 1036489562 /nfs/dbraw/zinc/48/95/62/1036489562.db2.gz CEELEJVYRFBWPU-UHFFFAOYSA-N -1 3 305.418 3.881 20 0 DHADHM CCc1c(Cl)cc(NC[C@H](O)C(F)(F)F)c([O-])c1Cl ZINC001250985194 1036489878 /nfs/dbraw/zinc/48/98/78/1036489878.db2.gz PKZXBNMDFGCCBQ-QMMMGPOBSA-N -1 3 318.122 3.597 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1snc(Cl)c1Cl ZINC001196341786 1036509625 /nfs/dbraw/zinc/50/96/25/1036509625.db2.gz JJHUQVDHABXOGL-UHFFFAOYSA-N -1 3 307.133 3.547 20 0 DHADHM CC(C)(C)c1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000913740808 1036651157 /nfs/dbraw/zinc/65/11/57/1036651157.db2.gz BIKNKQXSBUCADM-UHFFFAOYSA-N -1 3 311.385 3.609 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@](F)(c3ccccc3)C2)n1 ZINC001197076760 1036681213 /nfs/dbraw/zinc/68/12/13/1036681213.db2.gz HCIAEUTVTQRQBA-KSSFIOAISA-N -1 3 315.392 3.512 20 0 DHADHM CC(C)(CC(=O)Nc1ncccc1[O-])c1ccccc1Cl ZINC001183865351 1036699482 /nfs/dbraw/zinc/69/94/82/1036699482.db2.gz RSXMREJSENPAFY-UHFFFAOYSA-N -1 3 304.777 3.747 20 0 DHADHM CCOc1cc(CN(C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000668802007 1036750620 /nfs/dbraw/zinc/75/06/20/1036750620.db2.gz CSGUMDHQONXBEA-UHFFFAOYSA-N -1 3 307.777 3.786 20 0 DHADHM CCN(c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1)C(C)C ZINC000153572140 1036821600 /nfs/dbraw/zinc/82/16/00/1036821600.db2.gz OASOKZXIDOFKCJ-MRXNPFEDSA-N -1 3 321.421 3.501 20 0 DHADHM CCN(c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1)C(C)C ZINC000153572140 1036821618 /nfs/dbraw/zinc/82/16/18/1036821618.db2.gz OASOKZXIDOFKCJ-MRXNPFEDSA-N -1 3 321.421 3.501 20 0 DHADHM Cc1cccc(C(C)(C)C)c1NC(=O)NCc1ncccc1[O-] ZINC001184632687 1036910995 /nfs/dbraw/zinc/91/09/95/1036910995.db2.gz VREJCVPQIPCIGO-UHFFFAOYSA-N -1 3 313.401 3.715 20 0 DHADHM O=C1[N-]C(=O)/C(=C/c2csc(Cl)c2Cl)c2ccccc21 ZINC000761479421 1036982725 /nfs/dbraw/zinc/98/27/25/1036982725.db2.gz VLBZFMHUTZAKHH-BJMVGYQFSA-N -1 3 324.188 3.866 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)c(F)c2)c1[O-] ZINC001185098308 1037024439 /nfs/dbraw/zinc/02/44/39/1037024439.db2.gz VUUPUUTWSVVJBX-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM Cc1noc(C)c1NC(=O)[N-]c1cc(-c2cccs2)no1 ZINC001185140844 1037035310 /nfs/dbraw/zinc/03/53/10/1037035310.db2.gz BBPQZZWXOJJYFA-UHFFFAOYSA-N -1 3 304.331 3.652 20 0 DHADHM Cc1noc(C)c1NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001185183132 1037059102 /nfs/dbraw/zinc/05/91/02/1037059102.db2.gz HWCGIYOOYGCQEC-UHFFFAOYSA-N -1 3 315.251 3.660 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(F)c(F)c1F ZINC001185330702 1037114596 /nfs/dbraw/zinc/11/45/96/1037114596.db2.gz DRGQRGQECBHWTG-UHFFFAOYSA-N -1 3 324.258 3.656 20 0 DHADHM Cc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(Cl)c1C ZINC000911503023 1037136513 /nfs/dbraw/zinc/13/65/13/1037136513.db2.gz URTIOLAKNOKBOK-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)c(C)c1 ZINC001198943917 1037175338 /nfs/dbraw/zinc/17/53/38/1037175338.db2.gz TUWLMICJUBFBMI-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(/C=C\c1cncs1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000493161757 1037224959 /nfs/dbraw/zinc/22/49/59/1037224959.db2.gz SCWRFOUFXVHOKJ-RQOWECAXSA-N -1 3 314.288 3.519 20 0 DHADHM CCCCCC[C@@](C)(CC)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850627 1037225439 /nfs/dbraw/zinc/22/54/39/1037225439.db2.gz CCKCOCKENQZXKP-RDTXWAMCSA-N -1 3 321.465 3.818 20 0 DHADHM O=C(Nc1ccc([O-])c(F)c1)Nc1c(F)cc(F)cc1F ZINC001186056970 1037306990 /nfs/dbraw/zinc/30/69/90/1037306990.db2.gz YXXPJTVDOJBWCP-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1ccn(C2CCCC2)n1 ZINC000763187884 1037420758 /nfs/dbraw/zinc/42/07/58/1037420758.db2.gz FGJSXCWMJIIVLV-UHFFFAOYSA-N -1 3 319.449 3.907 20 0 DHADHM CC(=O)[C@H](C)CSc1nnc([N-]c2ccccc2F)s1 ZINC000088490952 1037451985 /nfs/dbraw/zinc/45/19/85/1037451985.db2.gz VYAILXIGCMBOPR-MRVPVSSYSA-N -1 3 311.407 3.738 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c1[O-] ZINC000089222962 1037499017 /nfs/dbraw/zinc/49/90/17/1037499017.db2.gz SQYZZFJXTUIRAC-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM COC(=O)C(C)(C)c1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235907216 1037553846 /nfs/dbraw/zinc/55/38/46/1037553846.db2.gz UQRNYVVGDBKXOU-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM COc1cc(OC(F)(F)F)ccc1Nc1ncc(F)cc1[O-] ZINC001201357850 1037611207 /nfs/dbraw/zinc/61/12/07/1037611207.db2.gz ZKDWJRUIMBCZBX-UHFFFAOYSA-N -1 3 318.226 3.577 20 0 DHADHM Cc1c(Nc2cc(F)c([O-])cc2F)cnn1-c1ccccc1 ZINC001201376878 1037642001 /nfs/dbraw/zinc/64/20/01/1037642001.db2.gz CFKUJYURIRUQPF-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cc(F)cc(F)c1 ZINC001187577050 1037666265 /nfs/dbraw/zinc/66/62/65/1037666265.db2.gz JRPIPGLWLLOMHL-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM CCOc1ncc(Cl)cc1Nc1cc([O-])c(F)cc1F ZINC001201510777 1037730142 /nfs/dbraw/zinc/73/01/42/1037730142.db2.gz DWWSIUWZRMGKOD-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM O=C(Nc1ccc2c(c1)OCO2)Nc1cc2ccccc2cc1[O-] ZINC001187862021 1037740282 /nfs/dbraw/zinc/74/02/82/1037740282.db2.gz GJWDKPCUIHYZAP-UHFFFAOYSA-N -1 3 322.320 3.918 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(Cl)cncc1Cl ZINC000490650348 1037762590 /nfs/dbraw/zinc/76/25/90/1037762590.db2.gz QMWIKOZQVFDNDD-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)sc1Cl ZINC001188035126 1037796534 /nfs/dbraw/zinc/79/65/34/1037796534.db2.gz QMKXUTCDKXJAJX-JTQLQIEISA-N -1 3 321.895 3.957 20 0 DHADHM CN1CCN(Cc2cccc([O-])c2Cl)[C@@H](c2ccccc2)C1 ZINC000328442924 1037818915 /nfs/dbraw/zinc/81/89/15/1037818915.db2.gz HGZOMZRHMHHNHB-MRXNPFEDSA-N -1 3 316.832 3.534 20 0 DHADHM O=C(CCC1CCCCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000913358302 1037826592 /nfs/dbraw/zinc/82/65/92/1037826592.db2.gz YIIHWVFJHVDHTG-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM O=C(CCC1CCCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000913358302 1037826608 /nfs/dbraw/zinc/82/66/08/1037826608.db2.gz YIIHWVFJHVDHTG-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM CCC(=O)c1cc(Br)ccc1Nc1cncc([O-])c1 ZINC001201647165 1037833840 /nfs/dbraw/zinc/83/38/40/1037833840.db2.gz AANUQPONPLHXOO-UHFFFAOYSA-N -1 3 321.174 3.886 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000124087604 1037880665 /nfs/dbraw/zinc/88/06/65/1037880665.db2.gz JARRQUMHGQGCFH-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n[nH]1 ZINC000125398789 1037933512 /nfs/dbraw/zinc/93/35/12/1037933512.db2.gz LRAVAIWLJDURKC-UHFFFAOYSA-N -1 3 313.279 3.510 20 0 DHADHM CCOC(=O)c1cccc(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000916856728 1038000721 /nfs/dbraw/zinc/00/07/21/1038000721.db2.gz UULDMYUDXFLKSU-UHFFFAOYSA-N -1 3 315.350 3.625 20 0 DHADHM O=C(Nc1cncc([O-])c1)NC(c1ccccc1)c1ccccc1 ZINC001189510134 1038163252 /nfs/dbraw/zinc/16/32/52/1038163252.db2.gz JZWCMLZEQBOHQU-UHFFFAOYSA-N -1 3 319.364 3.698 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1F ZINC001190464065 1038327623 /nfs/dbraw/zinc/32/76/23/1038327623.db2.gz KOFXHFXEXUAFSC-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C)cc1F ZINC001191045460 1038437037 /nfs/dbraw/zinc/43/70/37/1038437037.db2.gz PCWUHZOXKDYRBA-XHDPSFHLSA-N -1 3 317.401 3.520 20 0 DHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000589435468 1038485263 /nfs/dbraw/zinc/48/52/63/1038485263.db2.gz NWDFDUFKHBXSBE-CQSZACIVSA-N -1 3 319.426 3.973 20 0 DHADHM CC(C)N(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001191636377 1038525587 /nfs/dbraw/zinc/52/55/87/1038525587.db2.gz QMJRZMAZXYZVKD-UHFFFAOYSA-N -1 3 309.369 3.857 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC2(c3ccccn3)CC2)c([O-])c1 ZINC001192336220 1038629133 /nfs/dbraw/zinc/62/91/33/1038629133.db2.gz VHXRWLSRARAEIU-UHFFFAOYSA-N -1 3 310.397 3.504 20 0 DHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2[O-])nc1 ZINC001192335615 1038629489 /nfs/dbraw/zinc/62/94/89/1038629489.db2.gz LGLTYJULZLLFSA-CYBMUJFWSA-N -1 3 312.413 3.884 20 0 DHADHM Cc1cc2c(cn1)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192339350 1038633565 /nfs/dbraw/zinc/63/35/65/1038633565.db2.gz DCYVTISXMIWGDS-QGZVFWFLSA-N -1 3 324.424 3.810 20 0 DHADHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000057570298 1038666883 /nfs/dbraw/zinc/66/68/83/1038666883.db2.gz WYZPEFKSMSSNKG-JTQLQIEISA-N -1 3 306.749 3.805 20 0 DHADHM Cc1cccc2c1CCN2C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000590962378 1038732370 /nfs/dbraw/zinc/73/23/70/1038732370.db2.gz PVCWLDUNSUQRAT-UHFFFAOYSA-N -1 3 323.392 3.617 20 0 DHADHM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000591981849 1039090630 /nfs/dbraw/zinc/09/06/30/1039090630.db2.gz YIAAXNLCSALLGX-MRXNPFEDSA-N -1 3 311.381 3.768 20 0 DHADHM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC1CC1 ZINC000574211671 1039422313 /nfs/dbraw/zinc/42/23/13/1039422313.db2.gz ATIAJGAWZCPWQC-HNNXBMFYSA-N -1 3 323.820 3.568 20 0 DHADHM O=C([O-])c1c(F)cc(CNCc2ccccc2C2CC2)cc1F ZINC000669481696 1039503326 /nfs/dbraw/zinc/50/33/26/1039503326.db2.gz IVNQKDAJNDYEMH-UHFFFAOYSA-N -1 3 317.335 3.830 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c([O-])c1 ZINC000605025340 1039607668 /nfs/dbraw/zinc/60/76/68/1039607668.db2.gz CHKUBXPKSGNETQ-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000605492501 1039707079 /nfs/dbraw/zinc/70/70/79/1039707079.db2.gz LTOFZKLEBVINPQ-UHFFFAOYSA-N -1 3 319.426 3.621 20 0 DHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669557 1039946535 /nfs/dbraw/zinc/94/65/35/1039946535.db2.gz XRKJIJXTWNNVFQ-UKRRQHHQSA-N -1 3 308.397 3.689 20 0 DHADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000606907144 1040032169 /nfs/dbraw/zinc/03/21/69/1040032169.db2.gz ABXWIUULHZGLCT-VIFPVBQESA-N -1 3 310.246 3.564 20 0 DHADHM C[C@H]1CC=C(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000455992162 1040679972 /nfs/dbraw/zinc/67/99/72/1040679972.db2.gz PJTKQOQGYGNAMI-JTQLQIEISA-N -1 3 324.218 3.517 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1[O-] ZINC000092429786 185317983 /nfs/dbraw/zinc/31/79/83/185317983.db2.gz BWIGURNEPNFSKX-INIZCTEOSA-N -1 3 323.392 3.578 20 0 DHADHM COc1cccc(Cl)c1CNC[C@H](CC(=O)[O-])C(C)(C)C ZINC000417558699 334975212 /nfs/dbraw/zinc/97/52/12/334975212.db2.gz VSJSAYIMPVDAQZ-NSHDSACASA-N -1 3 313.825 3.575 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417558401 334974870 /nfs/dbraw/zinc/97/48/70/334974870.db2.gz FJFNCPSWMBZOED-IINYFYTJSA-N -1 3 309.818 3.953 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000003750643 181044795 /nfs/dbraw/zinc/04/47/95/181044795.db2.gz BAFKZJCXTJKOEE-ZJUUUORDSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1cc(Cl)sc1Cl ZINC000417573912 334994494 /nfs/dbraw/zinc/99/44/94/334994494.db2.gz IDIWVTBASDNHPF-PRHODGIISA-N -1 3 308.230 3.788 20 0 DHADHM Cc1ccccc1C[C@H](CNCc1sccc1Cl)C(=O)[O-] ZINC000417575046 334995065 /nfs/dbraw/zinc/99/50/65/334995065.db2.gz XQVGALZVJSFEGI-CYBMUJFWSA-N -1 3 323.845 3.743 20 0 DHADHM CC(C)(C)c1cnc(CN[C@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000417585620 335000591 /nfs/dbraw/zinc/00/05/91/335000591.db2.gz ZMZFCLNCQXGLRK-MEDUHNTESA-N -1 3 310.463 3.564 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cnc(C(F)(F)F)s1 ZINC000417595208 335001634 /nfs/dbraw/zinc/00/16/34/335001634.db2.gz XQUOZUIKLCVQMW-QMMMGPOBSA-N -1 3 324.368 3.531 20 0 DHADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)Cc1ccc(Cl)cc1 ZINC000092961565 193189030 /nfs/dbraw/zinc/18/90/30/193189030.db2.gz GUDRUDLQXNMQTO-CYBMUJFWSA-N -1 3 318.804 3.552 20 0 DHADHM C[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000417600024 335005487 /nfs/dbraw/zinc/00/54/87/335005487.db2.gz CTKGHEVYKJJPCF-HTQZYQBOSA-N -1 3 309.715 3.558 20 0 DHADHM CC(C)c1cnc(CN[C@@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000417616120 335009102 /nfs/dbraw/zinc/00/91/02/335009102.db2.gz ATWWFFOTCLDLJE-QWHCGFSZSA-N -1 3 310.463 3.780 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000417627653 335016721 /nfs/dbraw/zinc/01/67/21/335016721.db2.gz SPCHWBQSOLZBBT-CYBMUJFWSA-N -1 3 304.415 3.543 20 0 DHADHM O=C([O-])C[C@H](CNCc1ccc(C2CCC2)cc1)C(F)(F)F ZINC000417622681 335017764 /nfs/dbraw/zinc/01/77/64/335017764.db2.gz ILNQGBLXVCIQJK-CQSZACIVSA-N -1 3 315.335 3.697 20 0 DHADHM CC(C)=CCSC[C@H](NCc1ccc(Cl)s1)C(=O)[O-] ZINC000417623780 335018101 /nfs/dbraw/zinc/01/81/01/335018101.db2.gz JIHKCXMSILTDKP-NSHDSACASA-N -1 3 319.879 3.644 20 0 DHADHM Cc1cc(OCC(=O)Nc2ccccc2[O-])cc(C)c1Cl ZINC000018051932 182091379 /nfs/dbraw/zinc/09/13/79/182091379.db2.gz KGCBABYGJQTIQK-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM CC(C)(C)c1cnc(CN[C@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000417635785 335021286 /nfs/dbraw/zinc/02/12/86/335021286.db2.gz WVXFYNVLOAOPDQ-OLZOCXBDSA-N -1 3 324.490 3.954 20 0 DHADHM C[C@@H](CC(C)(C)NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417640635 335025812 /nfs/dbraw/zinc/02/58/12/335025812.db2.gz ZGVSNHPWPIQAPL-LBPRGKRZSA-N -1 3 318.442 3.789 20 0 DHADHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1[O-] ZINC000023531674 182362958 /nfs/dbraw/zinc/36/29/58/182362958.db2.gz OKFBMPFLSZXOIG-UHFFFAOYSA-N -1 3 309.287 3.683 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000417649466 335027285 /nfs/dbraw/zinc/02/72/85/335027285.db2.gz RKVTUKGXRLVKOO-CZUORRHYSA-N -1 3 315.369 3.662 20 0 DHADHM Cc1ccc(C[C@@H](NCc2ccccc2Cl)C(=O)[O-])cc1C ZINC000417647102 335029945 /nfs/dbraw/zinc/02/99/45/335029945.db2.gz FBLYSVWOBPLVNC-QGZVFWFLSA-N -1 3 317.816 3.742 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000442928015 338439668 /nfs/dbraw/zinc/43/96/68/338439668.db2.gz AADNSMQNDPKLFQ-RKDXNWHRSA-N -1 3 303.280 3.666 20 0 DHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865623 335035902 /nfs/dbraw/zinc/03/59/02/335035902.db2.gz IIHJJBXZBNQEIX-GOSISDBHSA-N -1 3 322.412 3.736 20 0 DHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865623 335035905 /nfs/dbraw/zinc/03/59/05/335035905.db2.gz IIHJJBXZBNQEIX-GOSISDBHSA-N -1 3 322.412 3.736 20 0 DHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865623 335035906 /nfs/dbraw/zinc/03/59/06/335035906.db2.gz IIHJJBXZBNQEIX-GOSISDBHSA-N -1 3 322.412 3.736 20 0 DHADHM COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1[O-] ZINC000041005002 183155232 /nfs/dbraw/zinc/15/52/32/183155232.db2.gz WGQLRZRARJWJCH-UHFFFAOYSA-N -1 3 319.158 3.707 20 0 DHADHM O=C(Nc1ccccn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000060349329 184146364 /nfs/dbraw/zinc/14/63/64/184146364.db2.gz AHHGWSSIPAIFGA-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM COc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1[O-] ZINC000272616881 130046454 /nfs/dbraw/zinc/04/64/54/130046454.db2.gz PQRZHZAZBLJFHP-CQSZACIVSA-N -1 3 315.369 3.751 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000272859522 130069648 /nfs/dbraw/zinc/06/96/48/130069648.db2.gz UQWKREUNTSMIGQ-UHFFFAOYSA-N -1 3 317.335 3.690 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cc([O-])cc(F)c1 ZINC000274389664 130231696 /nfs/dbraw/zinc/23/16/96/130231696.db2.gz BYCHNAPEWNUXIP-NSHDSACASA-N -1 3 305.397 3.642 20 0 DHADHM [O-]C(=NOCCC(F)(F)F)Nc1csc2ccccc12 ZINC000275172662 130295190 /nfs/dbraw/zinc/29/51/90/130295190.db2.gz BJDPULADFPILAD-UHFFFAOYSA-N -1 3 304.293 3.907 20 0 DHADHM O=C([N-]OCCC(F)(F)F)Nc1csc2ccccc12 ZINC000275172662 130295193 /nfs/dbraw/zinc/29/51/93/130295193.db2.gz BJDPULADFPILAD-UHFFFAOYSA-N -1 3 304.293 3.907 20 0 DHADHM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000283725086 131017465 /nfs/dbraw/zinc/01/74/65/131017465.db2.gz WGYYIJKVAPLYDO-LBPRGKRZSA-N -1 3 308.397 3.642 20 0 DHADHM [O-]c1cc(F)cc(CNCc2c(F)cccc2N2CCCC2)c1 ZINC000285397540 131164459 /nfs/dbraw/zinc/16/44/59/131164459.db2.gz CIKLRFWVCLRUDQ-UHFFFAOYSA-N -1 3 318.367 3.560 20 0 DHADHM Cc1oc(C(C)C)nc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000286096736 131219777 /nfs/dbraw/zinc/21/97/77/131219777.db2.gz OHFFTENDFRNYDC-NSHDSACASA-N -1 3 314.385 3.966 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(n1)CCCC2 ZINC000340233445 131241191 /nfs/dbraw/zinc/24/11/91/131241191.db2.gz DBZPBWHAYLZNSP-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM COC[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1 ZINC000288533397 131329588 /nfs/dbraw/zinc/32/95/88/131329588.db2.gz KHWMXUZNGKPTGC-MRXNPFEDSA-N -1 3 309.768 3.662 20 0 DHADHM COc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)c(C)c1OC ZINC000288547787 131330117 /nfs/dbraw/zinc/33/01/17/131330117.db2.gz XMGWBSBRFVJQOC-GFCCVEGCSA-N -1 3 319.376 3.708 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)cn1 ZINC000340299404 131348470 /nfs/dbraw/zinc/34/84/70/131348470.db2.gz FKQLDPDQDGPIEM-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000288981184 131349909 /nfs/dbraw/zinc/34/99/09/131349909.db2.gz XUTNARDNURNFNN-JTQLQIEISA-N -1 3 323.443 3.827 20 0 DHADHM CC[C@H](C)CON=C([O-])Nc1c(C)nn(-c2ccccc2)c1C ZINC000291777734 131598796 /nfs/dbraw/zinc/59/87/96/131598796.db2.gz NJUMZHFMRSWKKL-LBPRGKRZSA-N -1 3 316.405 3.588 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000291777734 131598799 /nfs/dbraw/zinc/59/87/99/131598799.db2.gz NJUMZHFMRSWKKL-LBPRGKRZSA-N -1 3 316.405 3.588 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000298709061 132075099 /nfs/dbraw/zinc/07/50/99/132075099.db2.gz TUCWXCJQUBFIIQ-GFCCVEGCSA-N -1 3 315.335 3.930 20 0 DHADHM C[C@H]1CCc2c(sc3[n-]c(-c4cscn4)nc(=O)c23)C1 ZINC000299018842 132085936 /nfs/dbraw/zinc/08/59/36/132085936.db2.gz HSFRKGHCEXKFER-ZETCQYMHSA-N -1 3 303.412 3.645 20 0 DHADHM CCS[C@@H]1CCCC[C@@H]1NCc1nc(=O)c2sccc2[n-]1 ZINC000299407945 132104111 /nfs/dbraw/zinc/10/41/11/132104111.db2.gz SRRNJKQVVXGAAG-CMPLNLGQSA-N -1 3 323.487 3.551 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(Cc4ccccc4C)no3)n[n-]2)o1 ZINC000340654155 132120717 /nfs/dbraw/zinc/12/07/17/132120717.db2.gz WPMJCIPWAAMCSQ-UHFFFAOYSA-N -1 3 320.352 3.927 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(Cc4ccccc4C)no3)[n-]n2)o1 ZINC000340654155 132120719 /nfs/dbraw/zinc/12/07/19/132120719.db2.gz WPMJCIPWAAMCSQ-UHFFFAOYSA-N -1 3 320.352 3.927 20 0 DHADHM Cc1ncccc1CN[C@@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000340672581 132140479 /nfs/dbraw/zinc/14/04/79/132140479.db2.gz BMGAXLLDSDNGIT-PXNSSMCTSA-N -1 3 324.424 3.603 20 0 DHADHM C[C@H]1CCc2nc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)sc2C1 ZINC000340679929 132145412 /nfs/dbraw/zinc/14/54/12/132145412.db2.gz WUWHEALBKQECFN-RYUDHWBXSA-N -1 3 324.490 3.637 20 0 DHADHM C[C@@H]1CCc2nc(CN[C@H](CC(=O)[O-])CC(C)(C)C)sc2C1 ZINC000340679932 132145480 /nfs/dbraw/zinc/14/54/80/132145480.db2.gz WUWHEALBKQECFN-VXGBXAGGSA-N -1 3 324.490 3.637 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000120754121 132149837 /nfs/dbraw/zinc/14/98/37/132149837.db2.gz BQAMMLMILJUIQU-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM CC1(C(=O)CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000526995789 435010094 /nfs/dbraw/zinc/01/00/94/435010094.db2.gz LCEMXLAPCWLNFS-UHFFFAOYSA-N -1 3 323.418 3.882 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cc3occc3s2)s1 ZINC000605448937 435340279 /nfs/dbraw/zinc/34/02/79/435340279.db2.gz NPCDILWYNMNJDE-UHFFFAOYSA-N -1 3 307.400 3.941 20 0 DHADHM O=C([O-])c1cc(CN2CCC(c3ccccc3)CC2)cs1 ZINC000570730241 332807123 /nfs/dbraw/zinc/80/71/23/332807123.db2.gz SDMAFTNSVMPYQK-UHFFFAOYSA-N -1 3 301.411 3.826 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(-c2nccs2)cc1 ZINC000179401186 331523082 /nfs/dbraw/zinc/52/30/82/331523082.db2.gz JHQALPVSZRYFNF-LZCJLJQNSA-N -1 3 323.377 3.563 20 0 DHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([O-])cc1F ZINC000124278390 331558378 /nfs/dbraw/zinc/55/83/78/331558378.db2.gz WFEKWOHANPNKJK-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(Cl)cc1[O-] ZINC000533618577 331608140 /nfs/dbraw/zinc/60/81/40/331608140.db2.gz UOQLNDMIBZFDIY-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cnc(C(C)(C)C)s2)c1[O-] ZINC000556891609 331749628 /nfs/dbraw/zinc/74/96/28/331749628.db2.gz DZNQXVFGNDDTOI-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)s1 ZINC000176166738 332926088 /nfs/dbraw/zinc/92/60/88/332926088.db2.gz CFKYDAJQUXPOBV-QMMMGPOBSA-N -1 3 313.781 3.666 20 0 DHADHM O=c1cc(CSC[C@H]2CCCCO2)nc(-c2ccccc2)[n-]1 ZINC000557295549 331781507 /nfs/dbraw/zinc/78/15/07/331781507.db2.gz RLDLHAPIZMEEFD-OAHLLOKOSA-N -1 3 316.426 3.652 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccc(F)cc3)n2)n1 ZINC000559196153 331988306 /nfs/dbraw/zinc/98/83/06/331988306.db2.gz WXUUDQNAGYZEST-SREVYHEPSA-N -1 3 313.357 3.924 20 0 DHADHM O=c1nc(-c2ccc(Cl)cn2)[n-]c2sc3c(c21)CCCC3 ZINC000086963610 332026176 /nfs/dbraw/zinc/02/61/76/332026176.db2.gz PUPXWRFXIPWERG-UHFFFAOYSA-N -1 3 317.801 3.579 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426793344 332154165 /nfs/dbraw/zinc/15/41/65/332154165.db2.gz QAILUWLGOXGZTK-OAHLLOKOSA-N -1 3 307.752 3.785 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426793343 332154275 /nfs/dbraw/zinc/15/42/75/332154275.db2.gz QAILUWLGOXGZTK-HNNXBMFYSA-N -1 3 307.752 3.785 20 0 DHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000426794379 332154486 /nfs/dbraw/zinc/15/44/86/332154486.db2.gz ULCTVHXFQHOGKG-CQSZACIVSA-N -1 3 318.442 3.789 20 0 DHADHM O=C([O-])C[C@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000426801724 332155173 /nfs/dbraw/zinc/15/51/73/332155173.db2.gz SIORLQXNCMGRGT-HNNXBMFYSA-N -1 3 307.752 3.785 20 0 DHADHM Cc1cc([C@@H](NCc2cccc(F)c2)C(=O)[O-])ccc1Cl ZINC000426826652 332155678 /nfs/dbraw/zinc/15/56/78/332155678.db2.gz FXZTVMCVNLGSFF-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CC(C)[C@H](CC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000426811539 332156769 /nfs/dbraw/zinc/15/67/69/332156769.db2.gz MZFVBSRXGBRPJE-AWEZNQCLSA-N -1 3 322.405 3.538 20 0 DHADHM COc1ccccc1[C@H](NCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000426816910 332157287 /nfs/dbraw/zinc/15/72/87/332157287.db2.gz MZZYZRFSGDEQKF-SFHVURJKSA-N -1 3 313.397 3.734 20 0 DHADHM CCCSC[C@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000426818585 332157721 /nfs/dbraw/zinc/15/77/21/332157721.db2.gz SFCFEQCOEQVZEC-ZDUSSCGKSA-N -1 3 309.456 3.587 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN1c1ccccc1 ZINC000426987712 332164184 /nfs/dbraw/zinc/16/41/84/332164184.db2.gz VHDOCISSGVWZNJ-HNNXBMFYSA-N -1 3 316.788 3.653 20 0 DHADHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000427264129 332192058 /nfs/dbraw/zinc/19/20/58/332192058.db2.gz ZKFNUQBXVKIOFH-GFCCVEGCSA-N -1 3 321.364 3.562 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3Cl)C2)c1 ZINC000531015503 332210895 /nfs/dbraw/zinc/21/08/95/332210895.db2.gz HCGFWYAHZCYSBK-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM CC1(C)CCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000569613701 332257045 /nfs/dbraw/zinc/25/70/45/332257045.db2.gz OKDAMKLZGVGYOL-AWEZNQCLSA-N -1 3 307.409 3.797 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2cc(F)ccc2[O-])c1C ZINC000559814809 332283408 /nfs/dbraw/zinc/28/34/08/332283408.db2.gz UNWYYDNFMSGWBW-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncccc1Cl ZINC000343330615 335102950 /nfs/dbraw/zinc/10/29/50/335102950.db2.gz DHLJHQGPIZDYFT-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000560611790 332368476 /nfs/dbraw/zinc/36/84/76/332368476.db2.gz IJMIAIFIBCBESL-YUMQZZPRSA-N -1 3 307.699 3.963 20 0 DHADHM CCSc1cccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c1 ZINC000427452899 332429244 /nfs/dbraw/zinc/42/92/44/332429244.db2.gz WIXLXRDGICUPCS-UHFFFAOYSA-N -1 3 318.348 3.980 20 0 DHADHM Cc1cccc(C(=O)Nc2ccccc2OCC(F)F)c1[O-] ZINC000151830108 332621242 /nfs/dbraw/zinc/62/12/42/332621242.db2.gz CURWKICZOCVJEW-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM [O-]c1cccc2ccc(/C=C/c3nccn3CC(F)(F)F)nc12 ZINC000171539300 332646541 /nfs/dbraw/zinc/64/65/41/332646541.db2.gz MIOLRAIUBLKDRT-VOTSOKGWSA-N -1 3 319.286 3.870 20 0 DHADHM O=C(Nc1ccc(C2CCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580214801 333014212 /nfs/dbraw/zinc/01/42/12/333014212.db2.gz GGBMHKXEXZRCRZ-UHFFFAOYSA-N -1 3 309.369 3.579 20 0 DHADHM COc1ccc2nc(C(=O)Nc3c(C)cccc3[O-])ccc2c1 ZINC000179557532 333025471 /nfs/dbraw/zinc/02/54/71/333025471.db2.gz VQUFHWNEUMUARC-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM O=C(c1ccc(Cl)c(F)c1)N1CCCc2cccc([O-])c21 ZINC000182930637 333050274 /nfs/dbraw/zinc/05/02/74/333050274.db2.gz JWPMVMXHSWMSLU-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189278616 333067921 /nfs/dbraw/zinc/06/79/21/333067921.db2.gz USDXXWHOWILDRA-JTQLQIEISA-N -1 3 301.308 3.673 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(Cl)cc1Cl ZINC000181773031 333081697 /nfs/dbraw/zinc/08/16/97/333081697.db2.gz QCPHPIOLXCTQFZ-DAFODLJHSA-N -1 3 309.152 3.746 20 0 DHADHM CC(C)c1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC000514337505 333115438 /nfs/dbraw/zinc/11/54/38/333115438.db2.gz LFENMJPLEDIBDL-INIZCTEOSA-N -1 3 309.417 3.659 20 0 DHADHM Cc1ccc(CN(C(=O)/C=C/c2cncc([O-])c2)C(C)C)s1 ZINC000181925386 333147857 /nfs/dbraw/zinc/14/78/57/333147857.db2.gz KBIORWZVEFTHKY-FNORWQNLSA-N -1 3 316.426 3.608 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H]2CCCOc3c(F)cccc32)c1 ZINC000185621585 333210589 /nfs/dbraw/zinc/21/05/89/333210589.db2.gz IJEPFSLAXVHRKR-INIZCTEOSA-N -1 3 305.324 3.674 20 0 DHADHM CN(CCCNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000393396949 333304227 /nfs/dbraw/zinc/30/42/27/333304227.db2.gz VGAGZFOJBBFCOP-UHFFFAOYSA-N -1 3 304.821 3.662 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)C[C@H]2C)c1[O-] ZINC000364638191 333325594 /nfs/dbraw/zinc/32/55/94/333325594.db2.gz MGWYVIQGMNSNNF-OCCSQVGLSA-N -1 3 301.411 3.780 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000531198695 333330958 /nfs/dbraw/zinc/33/09/58/333330958.db2.gz MBNVDZKVDHRMRE-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000531198690 333331128 /nfs/dbraw/zinc/33/11/28/333331128.db2.gz JVFMBBBMWRCNBY-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531230793 333336759 /nfs/dbraw/zinc/33/67/59/333336759.db2.gz DPHGTGWUGKFYTH-NEPJUHHUSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1cc(Cl)c(C(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000182265069 333352547 /nfs/dbraw/zinc/35/25/47/333352547.db2.gz HLZNQOXWKCIIOP-UHFFFAOYSA-N -1 3 307.752 3.732 20 0 DHADHM Cc1ccc(Cl)cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188421391 333366111 /nfs/dbraw/zinc/36/61/11/333366111.db2.gz FABSBJIRTDBQAS-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cc(Cl)ccc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188476484 333367701 /nfs/dbraw/zinc/36/77/01/333367701.db2.gz QKCUTSJHOGPHPO-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM COc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000184856964 333367904 /nfs/dbraw/zinc/36/79/04/333367904.db2.gz NIPWPBLARSUPTK-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1cc(C)cc(-c2nc(CCCc3ccccc3)no2)c1[O-] ZINC000184852559 333367976 /nfs/dbraw/zinc/36/79/76/333367976.db2.gz ZKKNUUGCHFEGRX-UHFFFAOYSA-N -1 3 324.380 3.935 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1cc(-c2cccnc2)on1 ZINC000186951984 333382016 /nfs/dbraw/zinc/38/20/16/333382016.db2.gz YRJJFBXMMXUURP-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000488552229 333384048 /nfs/dbraw/zinc/38/40/48/333384048.db2.gz UGOOPLBECZEVAM-ZDUSSCGKSA-N -1 3 307.434 3.815 20 0 DHADHM C[C@H]1CC[C@](CNCc2ccsc2Cl)(CC(=O)[O-])C1 ZINC000426626922 333481368 /nfs/dbraw/zinc/48/13/68/333481368.db2.gz BQKCAUFCYUKABT-IINYFYTJSA-N -1 3 301.839 3.772 20 0 DHADHM C[C@H]1CC[C@@](CNCc2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000426638050 333511942 /nfs/dbraw/zinc/51/19/42/333511942.db2.gz HOPOYDBFGFCEGQ-ZBEGNZNMSA-N -1 3 313.800 3.850 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C3CC3)CC2)c1Cl ZINC000531856468 333580697 /nfs/dbraw/zinc/58/06/97/333580697.db2.gz HIRZNSDMYHKNJV-UHFFFAOYSA-N -1 3 320.241 3.523 20 0 DHADHM CCc1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)o1 ZINC000343355003 335152986 /nfs/dbraw/zinc/15/29/86/335152986.db2.gz QMGJKPYMKSHHJG-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC000412531228 333761453 /nfs/dbraw/zinc/76/14/53/333761453.db2.gz GAOIKZMFDXXNMU-UHFFFAOYSA-N -1 3 323.392 3.874 20 0 DHADHM CC[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)CC(F)(F)F ZINC000412627350 333768449 /nfs/dbraw/zinc/76/84/49/333768449.db2.gz ABGLJADRMASCCK-SECBINFHSA-N -1 3 323.742 3.683 20 0 DHADHM O=C([O-])C1(CNCc2c(Cl)cccc2Cl)CCCC1 ZINC000571473256 333792789 /nfs/dbraw/zinc/79/27/89/333792789.db2.gz NAXIXVXGMQKBMH-UHFFFAOYSA-N -1 3 302.201 3.728 20 0 DHADHM COCc1ncsc1C(=O)[N-]c1ccc(C)cc1SC ZINC000413894864 333878643 /nfs/dbraw/zinc/87/86/43/333878643.db2.gz JNPQCPKZWZUVEM-UHFFFAOYSA-N -1 3 308.428 3.572 20 0 DHADHM CC(C)[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000413992172 333887042 /nfs/dbraw/zinc/88/70/42/333887042.db2.gz XGWCJFYDGLIWDV-AWEZNQCLSA-N -1 3 321.314 3.557 20 0 DHADHM CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000366827915 335163881 /nfs/dbraw/zinc/16/38/81/335163881.db2.gz OFWLCCJWKNERAC-HIFRSBDPSA-N -1 3 316.426 3.565 20 0 DHADHM COc1cccc([C@@H]2C[C@H]2CNCc2cccc([O-])c2Cl)c1 ZINC000414541727 334013598 /nfs/dbraw/zinc/01/35/98/334013598.db2.gz JITXOTKJCOBQBA-HOCLYGCPSA-N -1 3 317.816 3.948 20 0 DHADHM CC(C)n1ncc(-c2nc(-c3ccc([O-])cc3)no2)c1C1CC1 ZINC000436873146 334013693 /nfs/dbraw/zinc/01/36/93/334013693.db2.gz VIYSDWWXAHTPLF-UHFFFAOYSA-N -1 3 310.357 3.764 20 0 DHADHM COc1cccc([C@@H]2C[C@H]2CNCc2c(F)ccc([O-])c2F)c1 ZINC000414544550 334013974 /nfs/dbraw/zinc/01/39/74/334013974.db2.gz OZYZWQVAZCSWRR-JSGCOSHPSA-N -1 3 319.351 3.572 20 0 DHADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000571648589 334016542 /nfs/dbraw/zinc/01/65/42/334016542.db2.gz XEDKRXLPSDOISM-HNNXBMFYSA-N -1 3 319.351 3.655 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000271205620 334020125 /nfs/dbraw/zinc/02/01/25/334020125.db2.gz KCEIYVYXLKXEGV-QGZVFWFLSA-N -1 3 310.397 3.888 20 0 DHADHM CC(C)[C@H]1C[C@@H](CC(=O)N2CCCc3cccc([O-])c32)CCO1 ZINC000272870161 334040651 /nfs/dbraw/zinc/04/06/51/334040651.db2.gz TXNNEZZOVKDOQH-WMLDXEAASA-N -1 3 317.429 3.513 20 0 DHADHM CC(C)C[C@@H](N)c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000414621681 334044349 /nfs/dbraw/zinc/04/43/49/334044349.db2.gz RUPSORNPCREPNQ-LLVKDONJSA-N -1 3 315.295 3.507 20 0 DHADHM COc1cccc(C2=CCN(Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000414638391 334049889 /nfs/dbraw/zinc/04/98/89/334049889.db2.gz NXCYOUNFHPPJPU-UHFFFAOYSA-N -1 3 323.392 3.683 20 0 DHADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000414676733 334066487 /nfs/dbraw/zinc/06/64/87/334066487.db2.gz HKCCVDJWAUSBSY-VIFPVBQESA-N -1 3 307.287 3.530 20 0 DHADHM CCc1ccc(-c2ccc(CNCCCCC(=O)[O-])o2)cc1 ZINC000414680273 334067609 /nfs/dbraw/zinc/06/76/09/334067609.db2.gz LFVILRVOPSFHKL-UHFFFAOYSA-N -1 3 301.386 3.854 20 0 DHADHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccccc2)cc1F ZINC000414687820 334069420 /nfs/dbraw/zinc/06/94/20/334069420.db2.gz XQVMPUUCSOXPIP-SFHVURJKSA-N -1 3 313.372 3.932 20 0 DHADHM O=C([O-])CC1(CNCc2ccc(F)cc2Cl)CCCCC1 ZINC000277035637 334086016 /nfs/dbraw/zinc/08/60/16/334086016.db2.gz QGFZRICRJGLVEM-UHFFFAOYSA-N -1 3 313.800 3.994 20 0 DHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000278888467 334103057 /nfs/dbraw/zinc/10/30/57/334103057.db2.gz OLLVDMHYXODQRM-OAHLLOKOSA-N -1 3 304.777 3.664 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1cnc(-c2ccccn2)s1 ZINC000340491395 334217013 /nfs/dbraw/zinc/21/70/13/334217013.db2.gz YTZNBEXVVMAGJI-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM C[C@@]1(F)CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295462122 334223439 /nfs/dbraw/zinc/22/34/39/334223439.db2.gz HDNYBJLHKKSPRY-LJQANCHMSA-N -1 3 315.388 3.829 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000110486118 334276091 /nfs/dbraw/zinc/27/60/91/334276091.db2.gz PWLCCURHBVYESJ-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000048653288 334291007 /nfs/dbraw/zinc/29/10/07/334291007.db2.gz GZXMLCHNOJGXNZ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(CCCOc1ccccc1F)Nc1cc(Cl)ccc1[O-] ZINC000111211395 334306671 /nfs/dbraw/zinc/30/66/71/334306671.db2.gz FMSCMDREMFYTHQ-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cccc(OCC(F)(F)F)c1 ZINC000534646257 334310140 /nfs/dbraw/zinc/31/01/40/334310140.db2.gz OGRAUZVJWRAJEC-UHFFFAOYSA-N -1 3 311.259 3.586 20 0 DHADHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000303834082 334333696 /nfs/dbraw/zinc/33/36/96/334333696.db2.gz RKVNTWPVIDZLEU-AWEZNQCLSA-N -1 3 321.417 3.525 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2ccccn2c1 ZINC000534993031 334352615 /nfs/dbraw/zinc/35/26/15/334352615.db2.gz UOBVKJGDPGJJEM-UHFFFAOYSA-N -1 3 320.270 3.916 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000111687758 334353717 /nfs/dbraw/zinc/35/37/17/334353717.db2.gz GYAHRDGVAHKFCX-UHFFFAOYSA-N -1 3 317.142 3.872 20 0 DHADHM COc1cc(C(=O)N[C@H](C)[C@H](C)C2CCCCC2)ccc1[O-] ZINC000443276951 338448455 /nfs/dbraw/zinc/44/84/55/338448455.db2.gz AWUGHPUDPVVTEO-QWHCGFSZSA-N -1 3 305.418 3.736 20 0 DHADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1CC(C)C ZINC000535266926 334567996 /nfs/dbraw/zinc/56/79/96/334567996.db2.gz AKOPAEOYEUURSV-UHFFFAOYSA-N -1 3 321.808 3.713 20 0 DHADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443561442 338454687 /nfs/dbraw/zinc/45/46/87/338454687.db2.gz AUKHJXUYBOETRR-RNCFNFMXSA-N -1 3 303.280 3.666 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1[O-] ZINC000112588464 334718091 /nfs/dbraw/zinc/71/80/91/334718091.db2.gz HLMPMNUUTQXJJZ-KRWDZBQOSA-N -1 3 313.397 3.870 20 0 DHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1C)C(F)(F)F ZINC000443946779 338464054 /nfs/dbraw/zinc/46/40/54/338464054.db2.gz ZDEKHYRZDISSJA-GWCFXTLKSA-N -1 3 323.380 3.559 20 0 DHADHM CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330390820 334777127 /nfs/dbraw/zinc/77/71/27/334777127.db2.gz FOUMWSRDVBOXSL-CZUORRHYSA-N -1 3 305.418 3.833 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CC[C@@H]2CCCCO2)c([O-])c1 ZINC000330392393 334777175 /nfs/dbraw/zinc/77/71/75/334777175.db2.gz AQLXNJRRGZNMCY-AWEZNQCLSA-N -1 3 305.418 3.978 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cn3ccnc3s2)c1 ZINC000188964699 334879518 /nfs/dbraw/zinc/87/95/18/334879518.db2.gz BLHZEMSFYQBWRL-UHFFFAOYSA-N -1 3 315.398 3.651 20 0 DHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(C)cc1[O-] ZINC000189567690 334900775 /nfs/dbraw/zinc/90/07/75/334900775.db2.gz PYJXBIYXOZSSDR-UHFFFAOYSA-N -1 3 308.381 3.844 20 0 DHADHM CSc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000189738775 334909673 /nfs/dbraw/zinc/90/96/73/334909673.db2.gz KRMBRISOJDVQDG-UHFFFAOYSA-N -1 3 319.860 3.924 20 0 DHADHM CCc1nnc([N-]C(=O)c2sc3nccc(C)c3c2C)s1 ZINC000344178481 335227786 /nfs/dbraw/zinc/22/77/86/335227786.db2.gz XWJWARXVAZJAQT-UHFFFAOYSA-N -1 3 318.427 3.579 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccoc1C1CC1 ZINC000344310449 335239753 /nfs/dbraw/zinc/23/97/53/335239753.db2.gz UZKBOBGLJJZWKM-UHFFFAOYSA-N -1 3 301.327 3.521 20 0 DHADHM O=C(Nc1nc2ccsc2s1)c1cc(-c2ccco2)[n-]n1 ZINC000344414878 335247102 /nfs/dbraw/zinc/24/71/02/335247102.db2.gz BHINGVQZVWMMBC-UHFFFAOYSA-N -1 3 316.367 3.593 20 0 DHADHM C[C@H](c1ccco1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344523504 335254617 /nfs/dbraw/zinc/25/46/17/335254617.db2.gz RZUWTIXHJRBIQB-GFCCVEGCSA-N -1 3 305.349 3.667 20 0 DHADHM COc1cc(C(=O)[N-]c2cc(C(F)F)ccc2Cl)on1 ZINC000345272572 335309264 /nfs/dbraw/zinc/30/92/64/335309264.db2.gz AIECKEAIMUPMFC-UHFFFAOYSA-N -1 3 302.664 3.527 20 0 DHADHM Cc1sc2[n-]c(-c3ccncn3)nc(=O)c2c1-c1ccccc1 ZINC000345306368 335315694 /nfs/dbraw/zinc/31/56/94/335315694.db2.gz DKDQHJXUSIHSQA-UHFFFAOYSA-N -1 3 320.377 3.829 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC12CCC(CC1)C2 ZINC000345817031 335353129 /nfs/dbraw/zinc/35/31/29/335353129.db2.gz WNGFNSUTKFBKPZ-UHFFFAOYSA-N -1 3 305.393 3.551 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(C3CC3)nc3ccccc32)n1 ZINC000345928641 335361524 /nfs/dbraw/zinc/36/15/24/335361524.db2.gz DTCFGYMNSIXXJA-UHFFFAOYSA-N -1 3 319.364 3.774 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)n1 ZINC000345931061 335361741 /nfs/dbraw/zinc/36/17/41/335361741.db2.gz GLXAKYJPJVPGGJ-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM Cc1ccc(S[C@@H](C)C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345945163 335362922 /nfs/dbraw/zinc/36/29/22/335362922.db2.gz SBTLYZGOEZAGIC-LBPRGKRZSA-N -1 3 302.399 3.523 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC000345951433 335363611 /nfs/dbraw/zinc/36/36/11/335363611.db2.gz ZHDJMLHMSSVVPA-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1nc(C)ccc1[O-] ZINC000345986329 335367783 /nfs/dbraw/zinc/36/77/83/335367783.db2.gz NVXPFNJKWAKURI-CQSZACIVSA-N -1 3 302.399 3.605 20 0 DHADHM C[C@H]1CCN(C(=O)c2ncccc2Cl)c2c([O-])cccc21 ZINC000346930335 335455517 /nfs/dbraw/zinc/45/55/17/335455517.db2.gz AHTRPRHAVCNITI-JTQLQIEISA-N -1 3 302.761 3.595 20 0 DHADHM O=C([N-]c1cc(F)ccc1F)c1cnc(-c2ccco2)s1 ZINC000349009115 335628296 /nfs/dbraw/zinc/62/82/96/335628296.db2.gz QCCSSTBSYINRBB-UHFFFAOYSA-N -1 3 306.293 3.934 20 0 DHADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000349563344 335681034 /nfs/dbraw/zinc/68/10/34/335681034.db2.gz GXLSNLMPULRKST-SNVBAGLBSA-N -1 3 322.455 3.840 20 0 DHADHM Clc1cc2cc(-c3nc(-c4ccncc4)no3)[n-]c2s1 ZINC000350394469 335749628 /nfs/dbraw/zinc/74/96/28/335749628.db2.gz FWMCADSUUZHMGF-UHFFFAOYSA-N -1 3 302.746 3.995 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000052025568 335786788 /nfs/dbraw/zinc/78/67/88/335786788.db2.gz GXEHWVNVWQJUCQ-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c(CN(C)C)c1 ZINC000113989134 335787836 /nfs/dbraw/zinc/78/78/36/335787836.db2.gz GIJMNYJFIJYTCK-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(F)c(OC)c3)no2)c1[O-] ZINC000519489038 335863032 /nfs/dbraw/zinc/86/30/32/335863032.db2.gz ZCFBYBTWHWMZAL-UHFFFAOYSA-N -1 3 314.316 3.819 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC(c2ccsc2)CC1 ZINC000519709670 335891189 /nfs/dbraw/zinc/89/11/89/335891189.db2.gz UDBFQDVLYPCKCE-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM CO[C@](C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000192183934 336018231 /nfs/dbraw/zinc/01/82/31/336018231.db2.gz FBSAJCQNXWMIOO-INIZCTEOSA-N -1 3 323.751 3.685 20 0 DHADHM [O-]c1cc(F)cc(CN2CCCn3c(cc4ccccc43)C2)c1 ZINC000583661596 336035589 /nfs/dbraw/zinc/03/55/89/336035589.db2.gz UINTYGCDBQBJDV-UHFFFAOYSA-N -1 3 310.372 3.892 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)c([O-])c1 ZINC000332207997 336162891 /nfs/dbraw/zinc/16/28/91/336162891.db2.gz FQHPUZKNRXZAHD-ZBFHGGJFSA-N -1 3 319.445 3.671 20 0 DHADHM COc1ccc(NC(=O)[C@@]2(C)CCc3ccccc3C2)c([O-])c1 ZINC000332596822 336175655 /nfs/dbraw/zinc/17/56/55/336175655.db2.gz MDTXADIDZGSIDQ-IBGZPJMESA-N -1 3 311.381 3.535 20 0 DHADHM Cc1nnc(-c2cccc(NCc3c(F)ccc([O-])c3F)c2)o1 ZINC000351945951 336182092 /nfs/dbraw/zinc/18/20/92/336182092.db2.gz WBLCHTYEJFAXLZ-UHFFFAOYSA-N -1 3 317.295 3.641 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2SC(C)C)n1 ZINC000352107067 336195226 /nfs/dbraw/zinc/19/52/26/336195226.db2.gz XRGRKZGGYKAXHM-UHFFFAOYSA-N -1 3 302.399 3.848 20 0 DHADHM CC[C@H](C)c1ncc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000352482663 336221371 /nfs/dbraw/zinc/22/13/71/336221371.db2.gz GYIQFFQYRLOOTI-VIFPVBQESA-N -1 3 305.765 3.601 20 0 DHADHM O=C(NCc1ncccc1[O-])c1cccc(Oc2ccccc2)c1 ZINC000352518701 336222499 /nfs/dbraw/zinc/22/24/99/336222499.db2.gz YUIPDMJVEORILB-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000352678683 336229944 /nfs/dbraw/zinc/22/99/44/336229944.db2.gz FHMRVDBSAWRUOL-UHFFFAOYSA-N -1 3 322.364 3.526 20 0 DHADHM CSc1ccc(CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352694727 336230825 /nfs/dbraw/zinc/23/08/25/336230825.db2.gz YOQXNADJFHYHOG-UHFFFAOYSA-N -1 3 321.829 3.740 20 0 DHADHM CCCCCn1cc(CNCc2c(F)ccc([O-])c2F)c(C)n1 ZINC000352728107 336232706 /nfs/dbraw/zinc/23/27/06/336232706.db2.gz WLJPTMDGXYAVBB-UHFFFAOYSA-N -1 3 323.387 3.655 20 0 DHADHM O=C(NCc1ccc2ccccc2n1)c1cc([O-])ccc1Cl ZINC000352786307 336236524 /nfs/dbraw/zinc/23/65/24/336236524.db2.gz GURZJOUKQFERTM-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000123721260 336265250 /nfs/dbraw/zinc/26/52/50/336265250.db2.gz YODKMBBOUIAFIM-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c([O-])c1 ZINC000527048969 336281442 /nfs/dbraw/zinc/28/14/42/336281442.db2.gz YLTPZZXFKBPIOQ-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1ccc(-c2noc([N-][C@H](CCO)c3ccccc3)n2)cc1 ZINC000302042712 336345111 /nfs/dbraw/zinc/34/51/11/336345111.db2.gz LWRKYBWSEQUIIO-MRXNPFEDSA-N -1 3 309.369 3.581 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCC3CC3)nc2)n1 ZINC000302214584 336354369 /nfs/dbraw/zinc/35/43/69/336354369.db2.gz GQCDXSDQOOOVCQ-LBPRGKRZSA-N -1 3 312.417 3.797 20 0 DHADHM CC(C)c1nn(C)cc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352930108 336377958 /nfs/dbraw/zinc/37/79/58/336377958.db2.gz DBNNEURUHSMWSU-UHFFFAOYSA-N -1 3 313.323 3.880 20 0 DHADHM CC(C)(CCNCc1coc(-c2ccccc2)n1)CCC(=O)[O-] ZINC000320886440 336382269 /nfs/dbraw/zinc/38/22/69/336382269.db2.gz IHFMSLCAKSYGFX-UHFFFAOYSA-N -1 3 316.401 3.712 20 0 DHADHM CC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C ZINC000355315647 336503999 /nfs/dbraw/zinc/50/39/99/336503999.db2.gz MWJJLDGWMNNRPZ-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000357498327 336587759 /nfs/dbraw/zinc/58/77/59/336587759.db2.gz JSIYQYFREDQFGO-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM CCCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC1 ZINC000362599525 336805964 /nfs/dbraw/zinc/80/59/64/336805964.db2.gz MLXWIPLWGRZCKB-HNNXBMFYSA-N -1 3 312.413 3.617 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC12CCCCCC2 ZINC000368598227 336848963 /nfs/dbraw/zinc/84/89/63/336848963.db2.gz ZHHRRAIMGKRCJC-UHFFFAOYSA-N -1 3 324.424 3.857 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC2(C1)CCCCCC2 ZINC000370265510 336881271 /nfs/dbraw/zinc/88/12/71/336881271.db2.gz IGDFSSMVLVRUTN-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(=Cc2ccccc2)CC1 ZINC000371566219 336908167 /nfs/dbraw/zinc/90/81/67/336908167.db2.gz WEOHLXZASZSILY-VOTSOKGWSA-N -1 3 320.392 3.506 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000582324578 336921513 /nfs/dbraw/zinc/92/15/13/336921513.db2.gz ZHWIQFPAOPRKDT-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1cc(OCCCC(=O)Nc2ncccc2[O-])ccc1Cl ZINC000022263338 336922647 /nfs/dbraw/zinc/92/26/47/336922647.db2.gz FKVDQCMMVSPKTE-UHFFFAOYSA-N -1 3 320.776 3.547 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)s1 ZINC000024069879 336988547 /nfs/dbraw/zinc/98/85/47/336988547.db2.gz SUIOXWNFZWFCCJ-UHFFFAOYSA-N -1 3 301.820 3.819 20 0 DHADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2csc(=O)[n-]2)cc1 ZINC000376002933 337025027 /nfs/dbraw/zinc/02/50/27/337025027.db2.gz GREFYHLRUOYQKJ-OAHLLOKOSA-N -1 3 316.426 3.949 20 0 DHADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1CCC(C)C ZINC000123254059 337041435 /nfs/dbraw/zinc/04/14/35/337041435.db2.gz RAIDKBRGGDNJFS-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000377942102 337064297 /nfs/dbraw/zinc/06/42/97/337064297.db2.gz MSNBKFCBFMTKAL-HWPZZCPQSA-N -1 3 321.829 3.815 20 0 DHADHM C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000377973542 337064589 /nfs/dbraw/zinc/06/45/89/337064589.db2.gz XSVAAPFUOJLNFX-FABXCBLPSA-N -1 3 315.800 3.968 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=CC2=Cc3ccccc3OC2)CC)n1 ZINC000193615896 337078736 /nfs/dbraw/zinc/07/87/36/337078736.db2.gz GEBPLPVZLYYBST-GDNBJRDFSA-N -1 3 322.408 3.992 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(F)c2)CC)n1 ZINC000193619100 337078769 /nfs/dbraw/zinc/07/87/69/337078769.db2.gz WZTWPRFTUWZKDJ-SDQBBNPISA-N -1 3 304.340 3.951 20 0 DHADHM CO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000175835632 337149382 /nfs/dbraw/zinc/14/93/82/337149382.db2.gz TUFPPENSYXHYFE-OAHLLOKOSA-N -1 3 305.761 3.680 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cc(OC)cs2)s1 ZINC000176627043 337152337 /nfs/dbraw/zinc/15/23/37/337152337.db2.gz MXSMMKDPFWAMSH-UHFFFAOYSA-N -1 3 311.432 3.593 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000179566943 337170236 /nfs/dbraw/zinc/17/02/36/337170236.db2.gz GVWMRYUALLVMBW-UHFFFAOYSA-N -1 3 319.307 3.580 20 0 DHADHM CCCC[C@H](C)N(CCCC)C(=O)c1ccc2n[n-]nc2c1 ZINC000582805885 337178094 /nfs/dbraw/zinc/17/80/94/337178094.db2.gz SQCANMKAGBRCOM-ZDUSSCGKSA-N -1 3 302.422 3.779 20 0 DHADHM CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000181875854 337185082 /nfs/dbraw/zinc/18/50/82/337185082.db2.gz RQXMRGFFPDXAGT-CYBMUJFWSA-N -1 3 310.357 3.505 20 0 DHADHM CC[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000181875854 337185083 /nfs/dbraw/zinc/18/50/83/337185083.db2.gz RQXMRGFFPDXAGT-CYBMUJFWSA-N -1 3 310.357 3.505 20 0 DHADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000181875854 337185084 /nfs/dbraw/zinc/18/50/84/337185084.db2.gz RQXMRGFFPDXAGT-CYBMUJFWSA-N -1 3 310.357 3.505 20 0 DHADHM CC[C@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000181875836 337185104 /nfs/dbraw/zinc/18/51/04/337185104.db2.gz RQXMRGFFPDXAGT-ZDUSSCGKSA-N -1 3 310.357 3.505 20 0 DHADHM CC[C@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000181875836 337185105 /nfs/dbraw/zinc/18/51/05/337185105.db2.gz RQXMRGFFPDXAGT-ZDUSSCGKSA-N -1 3 310.357 3.505 20 0 DHADHM CC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000181875836 337185106 /nfs/dbraw/zinc/18/51/06/337185106.db2.gz RQXMRGFFPDXAGT-ZDUSSCGKSA-N -1 3 310.357 3.505 20 0 DHADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cccc([O-])c1 ZINC000182431282 337186391 /nfs/dbraw/zinc/18/63/91/337186391.db2.gz CPHNBNTVUGBHCI-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM O=C(Nc1cccc(COCc2ccco2)c1)c1cccc([O-])c1 ZINC000182127236 337186604 /nfs/dbraw/zinc/18/66/04/337186604.db2.gz NPALFKRLOJDWKA-UHFFFAOYSA-N -1 3 323.348 3.954 20 0 DHADHM Cc1cc(C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182152518 337186824 /nfs/dbraw/zinc/18/68/24/337186824.db2.gz IDXWRAJJXTZPSQ-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM CC[C@@H](NCc1cccc([O-])c1Br)c1ccncc1 ZINC000459427046 337190912 /nfs/dbraw/zinc/19/09/12/337190912.db2.gz JKTKUAMZLPOIGL-CYBMUJFWSA-N -1 3 321.218 3.791 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1csc(-c2ccoc2)n1 ZINC000183239647 337192397 /nfs/dbraw/zinc/19/23/97/337192397.db2.gz JFCNGJOYRUWDLV-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000183252130 337192582 /nfs/dbraw/zinc/19/25/82/337192582.db2.gz IRIJPRCVXFHKJB-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc([O-])cc1F ZINC000183280175 337192709 /nfs/dbraw/zinc/19/27/09/337192709.db2.gz SLDJGSVOJYAQHE-UHFFFAOYSA-N -1 3 313.300 3.540 20 0 DHADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc([O-])cc3F)c2)cs1 ZINC000183277254 337192716 /nfs/dbraw/zinc/19/27/16/337192716.db2.gz DZFJCGIYRRWMEX-UHFFFAOYSA-N -1 3 317.345 3.544 20 0 DHADHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000183274310 337192733 /nfs/dbraw/zinc/19/27/33/337192733.db2.gz FOTWHWNWELJOTR-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183277922 337192746 /nfs/dbraw/zinc/19/27/46/337192746.db2.gz GHUSNFZKJCUACL-SNVBAGLBSA-N -1 3 321.373 3.659 20 0 DHADHM COc1cc(C2(C(=O)Nc3ccc([O-])cc3F)CC2)ccc1C ZINC000183283778 337192753 /nfs/dbraw/zinc/19/27/53/337192753.db2.gz PCEXSPDCTSKMLV-UHFFFAOYSA-N -1 3 315.344 3.519 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccs1 ZINC000183911181 337195470 /nfs/dbraw/zinc/19/54/70/337195470.db2.gz GVMRNYWAYKEDMP-CQSZACIVSA-N -1 3 317.410 3.662 20 0 DHADHM CCc1csc([C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000186206233 337254675 /nfs/dbraw/zinc/25/46/75/337254675.db2.gz GVMBYMNPNFGULK-ZDUSSCGKSA-N -1 3 320.433 3.930 20 0 DHADHM COc1cc(C(=O)Nc2cc(C)ccc2Cl)cc(OC)c1[O-] ZINC000186868952 337260820 /nfs/dbraw/zinc/26/08/20/337260820.db2.gz DQEXUPGTEOAAHY-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1cccc2ccccc21 ZINC000321600992 337278449 /nfs/dbraw/zinc/27/84/49/337278449.db2.gz QZOABKMTBSSEJJ-UHFFFAOYSA-N -1 3 305.377 3.757 20 0 DHADHM O=C([N-][C@@H](c1cc2ccccc2o1)c1ccccc1)C(F)F ZINC000192799081 337307578 /nfs/dbraw/zinc/30/75/78/337307578.db2.gz UKYMRRSVBBVJFN-OAHLLOKOSA-N -1 3 301.292 3.904 20 0 DHADHM Cc1ccc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000038379377 337396134 /nfs/dbraw/zinc/39/61/34/337396134.db2.gz WTHRXONGIOPPMZ-UHFFFAOYSA-N -1 3 323.352 3.615 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc([O-])cc2F)c1C1CC1 ZINC000124515986 337405840 /nfs/dbraw/zinc/40/58/40/337405840.db2.gz JQIKVXSNPRANNT-SNVBAGLBSA-N -1 3 317.364 3.829 20 0 DHADHM Cc1ccc([O-])c(-c2nc([C@H]3CCOc4ccccc43)no2)c1 ZINC000322038681 337461172 /nfs/dbraw/zinc/46/11/72/337461172.db2.gz NMMBEIRWXRLQSX-ZDUSSCGKSA-N -1 3 308.337 3.665 20 0 DHADHM Cc1nn(C)c2ncc(/C=C/c3ccc4cccc([O-])c4n3)cc12 ZINC000195173984 337465612 /nfs/dbraw/zinc/46/56/12/337465612.db2.gz HKXCCBQPQVPIPH-SOFGYWHQSA-N -1 3 316.364 3.701 20 0 DHADHM CCOCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419426954 337484195 /nfs/dbraw/zinc/48/41/95/337484195.db2.gz GOUBWRRTFIMSRB-UHFFFAOYSA-N -1 3 304.415 3.509 20 0 DHADHM CCOc1cc(-c2noc([C@@H](CC)CC(F)F)n2)ccc1[O-] ZINC000420490549 337503148 /nfs/dbraw/zinc/50/31/48/337503148.db2.gz CWAOHHQOTWCHFO-VIFPVBQESA-N -1 3 312.316 3.990 20 0 DHADHM CCOc1cc(-c2noc(CC[C@@H](C)SC)n2)ccc1[O-] ZINC000445419683 337711793 /nfs/dbraw/zinc/71/17/93/337711793.db2.gz ROTBIJHDHMQYEE-SNVBAGLBSA-N -1 3 308.403 3.525 20 0 DHADHM CCOc1cc(-c2noc(C[C@H]3CC[C@H](C)C3)n2)ccc1[O-] ZINC000445425215 337726480 /nfs/dbraw/zinc/72/64/80/337726480.db2.gz BNSDQNFEGVYCEF-RYUDHWBXSA-N -1 3 302.374 3.820 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)CCN3)c2c([O-])cccc21 ZINC000423895279 337729301 /nfs/dbraw/zinc/72/93/01/337729301.db2.gz SLFHDANSVDZXJC-LBPRGKRZSA-N -1 3 308.381 3.514 20 0 DHADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000527474315 337743480 /nfs/dbraw/zinc/74/34/80/337743480.db2.gz MUPYDLCKUDRWLQ-OKILXGFUSA-N -1 3 311.381 3.594 20 0 DHADHM O=S(=O)([N-]c1ccccc1F)c1cccc2ccccc21 ZINC000035685882 337744579 /nfs/dbraw/zinc/74/45/79/337744579.db2.gz WCRRNXYMBQTPMF-UHFFFAOYSA-N -1 3 301.342 3.780 20 0 DHADHM C[C@H](CCc1ccc(O)cc1)NCc1cccc([O-])c1Cl ZINC000328075872 337792408 /nfs/dbraw/zinc/79/24/08/337792408.db2.gz AQHUHQHTMZSFTF-GFCCVEGCSA-N -1 3 305.805 3.862 20 0 DHADHM [O-]c1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1 ZINC000106846280 337821335 /nfs/dbraw/zinc/82/13/35/337821335.db2.gz JMVQTIVTLAWMFB-UHFFFAOYSA-N -1 3 302.717 3.675 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000533159819 337832177 /nfs/dbraw/zinc/83/21/77/337832177.db2.gz YZXJXCVIMASMCB-KBXCAEBGSA-N -1 3 313.784 3.888 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccccc2)n1 ZINC000424614898 337919097 /nfs/dbraw/zinc/91/90/97/337919097.db2.gz DDXNKHXNBKYRLZ-DOMZBBRYSA-N -1 3 318.442 3.645 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC000514787843 337970944 /nfs/dbraw/zinc/97/09/44/337970944.db2.gz FPHICWFRLLIIDL-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM CC(C)N(Cc1cccc([O-])c1Br)CC(F)F ZINC000315479003 337987969 /nfs/dbraw/zinc/98/79/69/337987969.db2.gz VWOXWUDZIMDYNX-UHFFFAOYSA-N -1 3 308.166 3.630 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1 ZINC000515902845 338000425 /nfs/dbraw/zinc/00/04/25/338000425.db2.gz MVJBDJUPKCJZMW-CHWSQXEVSA-N -1 3 305.418 3.688 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cc(C)ccc3F)no2)c1 ZINC000445455462 338017302 /nfs/dbraw/zinc/01/73/02/338017302.db2.gz JKRAVXHYMDIIQF-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COC(=O)c1ccc(-c2nc(-c3ccc(C(C)C)cc3)no2)[n-]1 ZINC000426396100 338030447 /nfs/dbraw/zinc/03/04/47/338030447.db2.gz LZBBDXPJROZAOD-UHFFFAOYSA-N -1 3 311.341 3.642 20 0 DHADHM COC(=O)c1ccc(-c2nc(-c3cccc4ccccc43)no2)[n-]1 ZINC000426406955 338030973 /nfs/dbraw/zinc/03/09/73/338030973.db2.gz SGJBHCFVOXOHJL-UHFFFAOYSA-N -1 3 319.320 3.672 20 0 DHADHM O=C([O-])[C@H](CCNCc1ccccc1Cl)Cc1ccccc1 ZINC000426629824 338036538 /nfs/dbraw/zinc/03/65/38/338036538.db2.gz SCSHFOOTTGRSNR-OAHLLOKOSA-N -1 3 317.816 3.763 20 0 DHADHM O=C([O-])c1ccccc1CCNCc1ccc(-c2ccccc2)o1 ZINC000426630360 338036551 /nfs/dbraw/zinc/03/65/51/338036551.db2.gz JAXKQJJBGVWMBQ-UHFFFAOYSA-N -1 3 321.376 3.977 20 0 DHADHM Cc1ccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426670344 338037648 /nfs/dbraw/zinc/03/76/48/338037648.db2.gz DXVSHNKMHXUPRW-OAHLLOKOSA-N -1 3 323.314 3.929 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccsc1 ZINC000426673700 338037685 /nfs/dbraw/zinc/03/76/85/338037685.db2.gz ZEHNBIJYLVABMJ-OAHLLOKOSA-N -1 3 318.373 3.674 20 0 DHADHM O=C([O-])C[C@@H](NC/C=C\c1ccc(F)cc1)c1ccsc1 ZINC000426684058 338038109 /nfs/dbraw/zinc/03/81/09/338038109.db2.gz WXOFPBNUPNZBHU-DJYNDVHFSA-N -1 3 305.374 3.706 20 0 DHADHM Cc1cc(Cl)cc(C)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426684663 338038116 /nfs/dbraw/zinc/03/81/16/338038116.db2.gz AOVLDQBMMRHOJP-UHFFFAOYSA-N -1 3 303.789 3.945 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000426715091 338039029 /nfs/dbraw/zinc/03/90/29/338039029.db2.gz GMVSNYUCBCNQEK-CXAGYDPISA-N -1 3 308.381 3.720 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000426719038 338039113 /nfs/dbraw/zinc/03/91/13/338039113.db2.gz DBNOTIYHXZHGCY-MEDUHNTESA-N -1 3 305.324 3.516 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000426746622 338040483 /nfs/dbraw/zinc/04/04/83/338040483.db2.gz KEZDPDZWBQURLI-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM CC(C)(C)CC[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426749398 338040641 /nfs/dbraw/zinc/04/06/41/338040641.db2.gz FQOJCRWYANWCGH-LBPRGKRZSA-N -1 3 301.789 3.848 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000426750512 338040644 /nfs/dbraw/zinc/04/06/44/338040644.db2.gz NTRBQRIWVGFFOF-DOMZBBRYSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1ccc2c(CNC(C)(C)c3nccs3)ccc([O-])c2n1 ZINC000429679399 338087179 /nfs/dbraw/zinc/08/71/79/338087179.db2.gz HSWSVMSNCRTLTG-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM Cc1ccc(OCCN(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431628546 338135062 /nfs/dbraw/zinc/13/50/62/338135062.db2.gz QYUATNIMUAJFQR-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM CC1(C)Oc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2O1 ZINC000431725748 338137638 /nfs/dbraw/zinc/13/76/38/338137638.db2.gz DSANHVZKBKIPFP-UHFFFAOYSA-N -1 3 319.744 3.805 20 0 DHADHM Cc1nc2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2s1 ZINC000431852173 338140186 /nfs/dbraw/zinc/14/01/86/338140186.db2.gz VEYAMVDLRCKKMR-UHFFFAOYSA-N -1 3 324.405 3.903 20 0 DHADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1cccc(OC)c1 ZINC000431888021 338140987 /nfs/dbraw/zinc/14/09/87/338140987.db2.gz UDNHGQQDYGOOGG-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM CCCn1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432707201 338163657 /nfs/dbraw/zinc/16/36/57/338163657.db2.gz VEOLNWVKAWMXLH-NBVRZTHBSA-N -1 3 319.408 3.765 20 0 DHADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000433143229 338182910 /nfs/dbraw/zinc/18/29/10/338182910.db2.gz GYEXQUNZDNDJDB-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C([O-])CCN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000433499024 338195851 /nfs/dbraw/zinc/19/58/51/338195851.db2.gz QQBBZKLFAVJLFX-ZDUSSCGKSA-N -1 3 301.308 3.707 20 0 DHADHM O=[S@@](Cc1nc(-c2ccccc2)cs1)c1ccc([O-])cc1 ZINC000435438424 338240216 /nfs/dbraw/zinc/24/02/16/338240216.db2.gz PTVBOJIRRITOPW-NRFANRHFSA-N -1 3 315.419 3.824 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)ccc1[O-] ZINC000435938075 338253714 /nfs/dbraw/zinc/25/37/14/338253714.db2.gz QMAMGEPKHHIEHB-HIFRSBDPSA-N -1 3 313.372 3.906 20 0 DHADHM CCc1nnc(C)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000436509316 338274541 /nfs/dbraw/zinc/27/45/41/338274541.db2.gz FJWXMVVLRJYBDN-UHFFFAOYSA-N -1 3 313.401 3.603 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccc(Cl)c(F)c3)n2)cc1 ZINC000436510534 338274725 /nfs/dbraw/zinc/27/47/25/338274725.db2.gz DQQYWWKLUWRPKY-UHFFFAOYSA-N -1 3 320.707 3.814 20 0 DHADHM O=C(NC1(C(F)F)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436519565 338274832 /nfs/dbraw/zinc/27/48/32/338274832.db2.gz YAGZTMPPOTUJIQ-UHFFFAOYSA-N -1 3 317.335 3.511 20 0 DHADHM Cc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)c([O-])c1 ZINC000436520574 338274899 /nfs/dbraw/zinc/27/48/99/338274899.db2.gz HRUHMRPYJHCTAX-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM Cc1nc2c(cccc2-c2noc(-c3cc(C)ccc3[O-])n2)[nH]1 ZINC000436521029 338274947 /nfs/dbraw/zinc/27/49/47/338274947.db2.gz JZVQDPWYXSHRTG-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccccc2)CC(C)C)c([O-])c1 ZINC000436530729 338275437 /nfs/dbraw/zinc/27/54/37/338275437.db2.gz FNGFPCBEZJGVII-UHFFFAOYSA-N -1 3 313.397 3.699 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2sccc2C1 ZINC000436535327 338275690 /nfs/dbraw/zinc/27/56/90/338275690.db2.gz RYIITKSZBPKCLA-UHFFFAOYSA-N -1 3 313.422 3.531 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2F)c([O-])c1 ZINC000436543244 338276408 /nfs/dbraw/zinc/27/64/08/338276408.db2.gz HBGNCBMXJNVWRX-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM COc1ccccc1C1(c2noc(-c3cccc(C)c3[O-])n2)CC1 ZINC000436565977 338277440 /nfs/dbraw/zinc/27/74/40/338277440.db2.gz OMHKACXLEKNHEK-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436569538 338277667 /nfs/dbraw/zinc/27/76/67/338277667.db2.gz FSVNZKRSQHVANE-CQSZACIVSA-N -1 3 317.429 3.756 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OCC(F)F)cc2)c1[O-] ZINC000436575819 338277968 /nfs/dbraw/zinc/27/79/68/338277968.db2.gz PFISQQSSZHURKL-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM CCCCOC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436577181 338278000 /nfs/dbraw/zinc/27/80/00/338278000.db2.gz UEBXVKYBICPRFM-UHFFFAOYSA-N -1 3 319.445 3.937 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1 ZINC000436579498 338278177 /nfs/dbraw/zinc/27/81/77/338278177.db2.gz XGCMCIVKKIKCQH-RDJZCZTQSA-N -1 3 309.409 3.794 20 0 DHADHM CCC1(CC)CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436588955 338278804 /nfs/dbraw/zinc/27/88/04/338278804.db2.gz NWVCDSSIVXAUPV-UHFFFAOYSA-N -1 3 317.429 3.758 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c([O-])c1C ZINC000436590570 338278845 /nfs/dbraw/zinc/27/88/45/338278845.db2.gz NRQOGGAZRWXAOB-CYBMUJFWSA-N -1 3 324.424 3.742 20 0 DHADHM COc1cccc(-c2nc(Cc3cc4ccccc4o3)no2)c1[O-] ZINC000436591011 338278954 /nfs/dbraw/zinc/27/89/54/338278954.db2.gz UYHAMQQECXTKGN-UHFFFAOYSA-N -1 3 322.320 3.788 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ncc(C(C)C)s2)c1[O-] ZINC000436592790 338279022 /nfs/dbraw/zinc/27/90/22/338279022.db2.gz YXOUCZFEZYISEN-UHFFFAOYSA-N -1 3 306.387 3.541 20 0 DHADHM COCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccco1 ZINC000436595815 338279209 /nfs/dbraw/zinc/27/92/09/338279209.db2.gz JXSXMUQBUWGZLV-OAHLLOKOSA-N -1 3 317.385 3.616 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(C)cc2[O-])c1C1CC1 ZINC000436600325 338279322 /nfs/dbraw/zinc/27/93/22/338279322.db2.gz GPDVWDLLNOSOCA-LBPRGKRZSA-N -1 3 313.401 3.998 20 0 DHADHM CCc1nc2cc(NC(=O)c3ccc(C(C)=O)c([O-])c3)ccc2o1 ZINC000436598574 338279341 /nfs/dbraw/zinc/27/93/41/338279341.db2.gz AQKCRXSABMKVDB-UHFFFAOYSA-N -1 3 324.336 3.551 20 0 DHADHM CCC(=O)c1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436601388 338279450 /nfs/dbraw/zinc/27/94/50/338279450.db2.gz HQJNUPUMRCDYMG-UHFFFAOYSA-N -1 3 313.353 3.554 20 0 DHADHM O=C(N[C@H](c1cccnc1)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436608660 338279813 /nfs/dbraw/zinc/27/98/13/338279813.db2.gz UZBJSWOUYCQQIA-IBGZPJMESA-N -1 3 322.408 3.547 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(SC)c2C)c1[O-] ZINC000436612550 338279951 /nfs/dbraw/zinc/27/99/51/338279951.db2.gz XTSBKQPHWFSSHV-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccco3)n2)c2ccccc12 ZINC000436615748 338280099 /nfs/dbraw/zinc/28/00/99/338280099.db2.gz FUSJFKAZJZHOLI-UHFFFAOYSA-N -1 3 306.321 3.974 20 0 DHADHM COc1cccc(C(=O)N(C)Cc2ccc3ccccc3c2)c1[O-] ZINC000436617033 338280101 /nfs/dbraw/zinc/28/01/01/338280101.db2.gz MATFIVTXGHLNJS-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c([O-])c1C ZINC000436624314 338280461 /nfs/dbraw/zinc/28/04/61/338280461.db2.gz KOXHETKZDXLGQX-LLVKDONJSA-N -1 3 305.324 3.778 20 0 DHADHM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000436626963 338280471 /nfs/dbraw/zinc/28/04/71/338280471.db2.gz UBBOBKREMUWBGL-JSGCOSHPSA-N -1 3 321.298 3.697 20 0 DHADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC000436626057 338280501 /nfs/dbraw/zinc/28/05/01/338280501.db2.gz HMLLBCRXHGQJSH-GJZGRUSLSA-N -1 3 309.409 3.658 20 0 DHADHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436626059 338280526 /nfs/dbraw/zinc/28/05/26/338280526.db2.gz HMLLBCRXHGQJSH-LSDHHAIUSA-N -1 3 309.409 3.658 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436634817 338280746 /nfs/dbraw/zinc/28/07/46/338280746.db2.gz LXXVEHUTUDWNKO-OAHLLOKOSA-N -1 3 307.459 3.702 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)c([O-])c1C ZINC000436639088 338280962 /nfs/dbraw/zinc/28/09/62/338280962.db2.gz IRYKTGAPQBYSAN-OAHLLOKOSA-N -1 3 313.422 3.976 20 0 DHADHM CCC1(C)CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436683410 338282637 /nfs/dbraw/zinc/28/26/37/338282637.db2.gz UIPBKFRIDAZOQE-UHFFFAOYSA-N -1 3 317.429 3.758 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c1[O-] ZINC000436683688 338282650 /nfs/dbraw/zinc/28/26/50/338282650.db2.gz UVTHNOALVCRWQD-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1cc(C)ccc1[O-] ZINC000436685045 338282744 /nfs/dbraw/zinc/28/27/44/338282744.db2.gz AHOXAZRPZIXCHU-UHFFFAOYSA-N -1 3 303.427 3.857 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1F ZINC000436688227 338283066 /nfs/dbraw/zinc/28/30/66/338283066.db2.gz JZVXFGGZOHMBES-UHFFFAOYSA-N -1 3 303.333 3.745 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c([O-])c1 ZINC000436694815 338283112 /nfs/dbraw/zinc/28/31/12/338283112.db2.gz BLQMKEDLPMUWND-GOSISDBHSA-N -1 3 317.335 3.551 20 0 DHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000436703438 338283428 /nfs/dbraw/zinc/28/34/28/338283428.db2.gz HCIPGPDHDNFJDH-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C)cc1[O-] ZINC000436704913 338283602 /nfs/dbraw/zinc/28/36/02/338283602.db2.gz LHGWVNMISREEBQ-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436719209 338284008 /nfs/dbraw/zinc/28/40/08/338284008.db2.gz OXBUZOAUHCYVCL-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1[O-] ZINC000436742537 338284966 /nfs/dbraw/zinc/28/49/66/338284966.db2.gz VUVCFXKDMAYFEU-HNNXBMFYSA-N -1 3 301.411 3.985 20 0 DHADHM Cc1ccc(C(=O)N2CCCn3c(cc4ccccc43)C2)c([O-])c1 ZINC000436741249 338285033 /nfs/dbraw/zinc/28/50/33/338285033.db2.gz RTMQZKKNKDSUME-UHFFFAOYSA-N -1 3 320.392 3.701 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c([O-])c1C ZINC000436755289 338285553 /nfs/dbraw/zinc/28/55/53/338285553.db2.gz MSZLXKJLLSFSDR-UHFFFAOYSA-N -1 3 313.372 3.953 20 0 DHADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436755197 338285579 /nfs/dbraw/zinc/28/55/79/338285579.db2.gz LMPOMFJJPNBSRN-OCCSQVGLSA-N -1 3 317.429 3.756 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccccc2C)C2CC2)c([O-])c1 ZINC000436760211 338286093 /nfs/dbraw/zinc/28/60/93/338286093.db2.gz NUQJXFAARGLLJM-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436760666 338286119 /nfs/dbraw/zinc/28/61/19/338286119.db2.gz RHQAQPVLHJEIFV-UHFFFAOYSA-N -1 3 311.381 3.772 20 0 DHADHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000436762787 338286144 /nfs/dbraw/zinc/28/61/44/338286144.db2.gz HHBQQOKCQKIEDX-UHFFFAOYSA-N -1 3 317.360 3.593 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436763505 338286344 /nfs/dbraw/zinc/28/63/44/338286344.db2.gz HCGKEYUMQRSOBH-WCQYABFASA-N -1 3 303.402 3.509 20 0 DHADHM [O-]c1ccc(-c2noc(CCCOCc3ccccc3)n2)cc1 ZINC000436766028 338286348 /nfs/dbraw/zinc/28/63/48/338286348.db2.gz BSUSNKXFXQHTJP-UHFFFAOYSA-N -1 3 310.353 3.592 20 0 DHADHM Cc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)cc1C ZINC000436767467 338286543 /nfs/dbraw/zinc/28/65/43/338286543.db2.gz GJEDRWOWSNOOMG-UHFFFAOYSA-N -1 3 322.364 3.875 20 0 DHADHM COc1ccc(OC)c(/C=C/c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770944 338286824 /nfs/dbraw/zinc/28/68/24/338286824.db2.gz WDLMIAMZCLZHSX-BJMVGYQFSA-N -1 3 324.336 3.630 20 0 DHADHM CCOc1cc(-c2noc(CC3CC(C)(C)C3)n2)ccc1[O-] ZINC000436782076 338287087 /nfs/dbraw/zinc/28/70/87/338287087.db2.gz GTPJMWJHDGYOJF-UHFFFAOYSA-N -1 3 302.374 3.820 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436780922 338287155 /nfs/dbraw/zinc/28/71/55/338287155.db2.gz HRGBBUVEHMGMDK-UHFFFAOYSA-N -1 3 324.355 3.601 20 0 DHADHM COc1cc(-c2noc(-c3cc4ccc(C)cc4[nH]3)n2)ccc1[O-] ZINC000436793185 338287654 /nfs/dbraw/zinc/28/76/54/338287654.db2.gz ZWHQLNJDWZKQGA-UHFFFAOYSA-N -1 3 321.336 3.908 20 0 DHADHM CCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c([O-])c1 ZINC000436805656 338288019 /nfs/dbraw/zinc/28/80/19/338288019.db2.gz YQVXNBJRMXHIOV-NSHDSACASA-N -1 3 301.411 3.776 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436811870 338288325 /nfs/dbraw/zinc/28/83/25/338288325.db2.gz VTEPXRHHFMYGBN-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1[O-] ZINC000436821143 338288558 /nfs/dbraw/zinc/28/85/58/338288558.db2.gz VBDBTOVJGIWFTJ-ZDUSSCGKSA-N -1 3 309.287 3.816 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([O-])c1 ZINC000436823339 338288576 /nfs/dbraw/zinc/28/85/76/338288576.db2.gz AICFJPVMBRNTEP-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM COCC[C@@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436821717 338288640 /nfs/dbraw/zinc/28/86/40/338288640.db2.gz XUDBXOKXZAYNCL-HNNXBMFYSA-N -1 3 319.445 3.794 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2cc3c(cc2[O-])CCCC3)CC12CCC2 ZINC000436824471 338288870 /nfs/dbraw/zinc/28/88/70/338288870.db2.gz BFPXEJQLAWOPJA-SFHVURJKSA-N -1 3 313.441 3.922 20 0 DHADHM CCc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c([O-])c1 ZINC000436832577 338288909 /nfs/dbraw/zinc/28/89/09/338288909.db2.gz SMONHAYBLLUJBY-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436832686 338289037 /nfs/dbraw/zinc/28/90/37/338289037.db2.gz JTNJBNRFLMQVGT-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000436832286 338289041 /nfs/dbraw/zinc/28/90/41/338289041.db2.gz HOIFBJJQMUVKHH-HNNXBMFYSA-N -1 3 317.429 3.566 20 0 DHADHM CCc1ccc(C(=O)N2CCOC3(C2)CCCCCC3)c([O-])c1 ZINC000436837457 338289407 /nfs/dbraw/zinc/28/94/07/338289407.db2.gz OWADEDMMLQYMIJ-UHFFFAOYSA-N -1 3 317.429 3.520 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000436840136 338289487 /nfs/dbraw/zinc/28/94/87/338289487.db2.gz WDZDHEAKWCELJL-HKUYNNGSSA-N -1 3 321.420 3.998 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C)cc3[O-])C2)c(C)c1 ZINC000436851791 338289772 /nfs/dbraw/zinc/28/97/72/338289772.db2.gz MSBJLSBMANWZFN-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM CCc1ccc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)c([O-])c1 ZINC000436857539 338290137 /nfs/dbraw/zinc/29/01/37/338290137.db2.gz BAASXIMNFFNXAS-UHFFFAOYSA-N -1 3 320.352 3.856 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3[C@@H](c4ccccc4)C3(F)F)n2)cc1 ZINC000436867854 338290580 /nfs/dbraw/zinc/29/05/80/338290580.db2.gz FIMKUSRGCRLZMX-KGLIPLIRSA-N -1 3 314.291 3.959 20 0 DHADHM COc1cccc(Cl)c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436867146 338290649 /nfs/dbraw/zinc/29/06/49/338290649.db2.gz AFBCRQZSKIJIJO-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM CC(C)(Oc1ccc(F)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436871097 338290885 /nfs/dbraw/zinc/29/08/85/338290885.db2.gz PGLMTXICHJUJDK-UHFFFAOYSA-N -1 3 314.316 3.895 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cncnc3-c3ccccc3)n2)cc1 ZINC000436873699 338291000 /nfs/dbraw/zinc/29/10/00/338291000.db2.gz XEGWLZJQUYWUHP-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000436872259 338291024 /nfs/dbraw/zinc/29/10/24/338291024.db2.gz JXHDFZIYTAQFCT-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM COc1ccccc1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436885632 338291783 /nfs/dbraw/zinc/29/17/83/338291783.db2.gz HZCSQLHYBMLQDK-UHFFFAOYSA-N -1 3 322.364 3.997 20 0 DHADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccccc1[O-] ZINC000436888194 338291885 /nfs/dbraw/zinc/29/18/85/338291885.db2.gz MCEYHISSKFINNS-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM Cc1cccc(-c2nc(Cc3cccc4cccnc43)no2)c1[O-] ZINC000436888426 338292022 /nfs/dbraw/zinc/29/20/22/338292022.db2.gz RUEMMNWAZUPLIT-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM COc1cccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1[O-] ZINC000436892730 338292242 /nfs/dbraw/zinc/29/22/42/338292242.db2.gz MJMHMIHGYFIOIF-QGZVFWFLSA-N -1 3 313.397 3.836 20 0 DHADHM COc1cc(-c2noc(CSc3ccccc3)n2)ccc1[O-] ZINC000436895693 338292371 /nfs/dbraw/zinc/29/23/71/338292371.db2.gz KAAUIQZEGLNOQP-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM COc1ccccc1CN(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000436898582 338292483 /nfs/dbraw/zinc/29/24/83/338292483.db2.gz YWDFJRVVILOEMZ-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM [O-]c1ccc(-c2noc(C[C@@H]3CCc4ccccc4C3)n2)cc1 ZINC000436896409 338292529 /nfs/dbraw/zinc/29/25/29/338292529.db2.gz YNVUXAJQOKGQCZ-CYBMUJFWSA-N -1 3 306.365 3.790 20 0 DHADHM Cc1cc(C(=O)NC[C@@H](C)Sc2ccccc2)ccc1[O-] ZINC000436905336 338292948 /nfs/dbraw/zinc/29/29/48/338292948.db2.gz SBHYSSIDMJYCCM-CYBMUJFWSA-N -1 3 301.411 3.611 20 0 DHADHM CCC(=O)Nc1cccc(-c2noc(-c3cc(C)ccc3[O-])n2)c1 ZINC000436907171 338292995 /nfs/dbraw/zinc/29/29/95/338292995.db2.gz XOMCKSHFTDKKES-UHFFFAOYSA-N -1 3 323.352 3.766 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1 ZINC000436908732 338293016 /nfs/dbraw/zinc/29/30/16/338293016.db2.gz JLTYLBHJBJWXPK-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3-n3cccn3)no2)c1 ZINC000436912209 338293216 /nfs/dbraw/zinc/29/32/16/338293216.db2.gz GXNWVPQDBCECJL-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000436914050 338293281 /nfs/dbraw/zinc/29/32/81/338293281.db2.gz KEGUTRCWQQRCBJ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)c([O-])c1C ZINC000436919695 338293534 /nfs/dbraw/zinc/29/35/34/338293534.db2.gz DHGMVXKYIZYNIR-UHFFFAOYSA-N -1 3 315.800 3.861 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[O-] ZINC000436921423 338293548 /nfs/dbraw/zinc/29/35/48/338293548.db2.gz JYJSBBZHUPFPCN-KRWDZBQOSA-N -1 3 323.396 3.704 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000436923905 338293562 /nfs/dbraw/zinc/29/35/62/338293562.db2.gz BGFABJMTLKMFPG-RHSMWYFYSA-N -1 3 319.445 3.839 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2c[nH]c3cc(F)ccc23)no1 ZINC000436922401 338293620 /nfs/dbraw/zinc/29/36/20/338293620.db2.gz XTSPNTBYVDFLNZ-UHFFFAOYSA-N -1 3 309.300 3.653 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436926587 338293785 /nfs/dbraw/zinc/29/37/85/338293785.db2.gz KURYJESESBZMTH-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM COc1ccc([C@H](NC(=O)c2ccc([O-])c(C)c2)C(C)C)cc1 ZINC000436929615 338294012 /nfs/dbraw/zinc/29/40/12/338294012.db2.gz ZVKLICAPJSEKHP-GOSISDBHSA-N -1 3 313.397 3.836 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3ccc(O)c(OC)c3)ccc12 ZINC000436940505 338294885 /nfs/dbraw/zinc/29/48/85/338294885.db2.gz BCPHBCLJQOSMOZ-HWKANZROSA-N -1 3 323.348 3.834 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(CCc3ccco3)no1)CCCC2 ZINC000436941994 338295028 /nfs/dbraw/zinc/29/50/28/338295028.db2.gz FVZBECWLWGTQMW-UHFFFAOYSA-N -1 3 310.353 3.699 20 0 DHADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1[O-] ZINC000436947732 338295261 /nfs/dbraw/zinc/29/52/61/338295261.db2.gz RXTXCTQESYCGMK-SMDDNHRTSA-N -1 3 319.763 3.779 20 0 DHADHM COc1ccc(C(=O)N(C)C2CCC(C(C)C)CC2)c([O-])c1 ZINC000436953342 338295503 /nfs/dbraw/zinc/29/55/03/338295503.db2.gz OKZJXJZOLQXHTE-UHFFFAOYSA-N -1 3 305.418 3.688 20 0 DHADHM CO[C@@H](c1noc(-c2ccccc2[O-])n1)c1ccccc1Cl ZINC000436952500 338295537 /nfs/dbraw/zinc/29/55/37/338295537.db2.gz JCOJISSDWBMPPH-CQSZACIVSA-N -1 3 316.744 3.831 20 0 DHADHM O=C(NCc1ccco1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436954552 338295639 /nfs/dbraw/zinc/29/56/39/338295639.db2.gz XBVKSZDOJLBIDY-UHFFFAOYSA-N -1 3 309.321 3.708 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000436972695 338296400 /nfs/dbraw/zinc/29/64/00/338296400.db2.gz PZZYHDLKOGWBHG-OKILXGFUSA-N -1 3 305.418 3.689 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436982739 338296635 /nfs/dbraw/zinc/29/66/35/338296635.db2.gz HQJZIQNTDXMERA-ZDUSSCGKSA-N -1 3 301.773 3.675 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc2ncccc2c1 ZINC000437669566 338317854 /nfs/dbraw/zinc/31/78/54/338317854.db2.gz BFKFKGFJYRCRAT-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ccsc1Cl ZINC000438560417 338348089 /nfs/dbraw/zinc/34/80/89/338348089.db2.gz FPOFRIZFFKLVRN-UHFFFAOYSA-N -1 3 303.717 3.941 20 0 DHADHM COc1cc(-c2noc(-c3cccc(F)c3Cl)n2)ccc1[O-] ZINC000438736474 338351345 /nfs/dbraw/zinc/35/13/45/338351345.db2.gz DUJLOUCQLCWYOS-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880544 338354679 /nfs/dbraw/zinc/35/46/79/338354679.db2.gz ISLSABJWBGKNBN-RYUDHWBXSA-N -1 3 323.179 3.836 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(F)c1 ZINC000439568980 338373261 /nfs/dbraw/zinc/37/32/61/338373261.db2.gz ZZVXZVSUYASMBM-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)c([O-])c1C ZINC000439993035 338382466 /nfs/dbraw/zinc/38/24/66/338382466.db2.gz KSWCQMRNKVZOTI-LLVKDONJSA-N -1 3 303.427 3.679 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CCCC(C)(C)CC3)c([O-])c2O1 ZINC000440002292 338382498 /nfs/dbraw/zinc/38/24/98/338382498.db2.gz FEFFSICTVOPWPJ-UHFFFAOYSA-N -1 3 317.429 3.758 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1cc(C2CC2)no1 ZINC000440436095 338387353 /nfs/dbraw/zinc/38/73/53/338387353.db2.gz FGJLKWIYNGRYSU-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC000440485306 338388478 /nfs/dbraw/zinc/38/84/78/338388478.db2.gz JGTCMIQHCJZNHB-NSHDSACASA-N -1 3 305.324 3.512 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CCCCC2)CC1 ZINC000448869352 338577671 /nfs/dbraw/zinc/57/76/71/338577671.db2.gz NXANRMCYYRJPSU-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000162892804 338670549 /nfs/dbraw/zinc/67/05/49/338670549.db2.gz FNSGLQUJSYCPAG-UONOGXRCSA-N -1 3 307.459 3.755 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000450964918 338714760 /nfs/dbraw/zinc/71/47/60/338714760.db2.gz FVNFYGTYKZMWGH-UHFFFAOYSA-N -1 3 301.411 3.927 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000452748607 338777687 /nfs/dbraw/zinc/77/76/87/338777687.db2.gz KNIVMNCEXPJSDU-ZJUUUORDSA-N -1 3 312.207 3.694 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456372023 338928051 /nfs/dbraw/zinc/92/80/51/338928051.db2.gz HCGBOAYKOJKXLE-CYBMUJFWSA-N -1 3 322.817 3.870 20 0 DHADHM O=C(NC1CCc2ccccc2CC1)c1cc([O-])ccc1Cl ZINC000456468042 338931257 /nfs/dbraw/zinc/93/12/57/338931257.db2.gz YSLGRSJRBWDZPS-UHFFFAOYSA-N -1 3 315.800 3.723 20 0 DHADHM COc1cc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)ccc1[O-] ZINC000458169184 338990443 /nfs/dbraw/zinc/99/04/43/338990443.db2.gz FGABKUFEXZASJN-KRWDZBQOSA-N -1 3 317.429 3.832 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459301922 339020332 /nfs/dbraw/zinc/02/03/32/339020332.db2.gz NGYGMUFNCMIZEA-CQSZACIVSA-N -1 3 315.442 3.631 20 0 DHADHM C[C@@H](c1c(F)cccc1F)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459311960 339020986 /nfs/dbraw/zinc/02/09/86/339020986.db2.gz WOVIRXQJADOANK-JTQLQIEISA-N -1 3 319.355 3.531 20 0 DHADHM CCOc1cc(CN2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000459341367 339022986 /nfs/dbraw/zinc/02/29/86/339022986.db2.gz VXJUZWUOICNTHR-UHFFFAOYSA-N -1 3 303.789 3.960 20 0 DHADHM O=c1cc(CN2CC[C@@H]2c2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000459352298 339023788 /nfs/dbraw/zinc/02/37/88/339023788.db2.gz HGTQMNIZQQARKV-OAHLLOKOSA-N -1 3 315.804 3.660 20 0 DHADHM CC(C)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000459354323 339023976 /nfs/dbraw/zinc/02/39/76/339023976.db2.gz UOZPKILNBKVFMK-KRWDZBQOSA-N -1 3 315.392 3.686 20 0 DHADHM Cc1cccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CCCC2)c1 ZINC000459372475 339025417 /nfs/dbraw/zinc/02/54/17/339025417.db2.gz RFKZBUHIJYSGFB-UHFFFAOYSA-N -1 3 323.440 3.927 20 0 DHADHM O=c1cc(CNC2(c3ccccc3)CCCC2)nc(C2CC2)[n-]1 ZINC000459391038 339026536 /nfs/dbraw/zinc/02/65/36/339026536.db2.gz UKRBRPUHZHSLAA-UHFFFAOYSA-N -1 3 309.413 3.619 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(Cl)c1 ZINC000459392021 339026634 /nfs/dbraw/zinc/02/66/34/339026634.db2.gz KXEOLKYDERNLOC-SECBINFHSA-N -1 3 321.783 3.703 20 0 DHADHM CC[C@@H]1C[C@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC000459443626 339029527 /nfs/dbraw/zinc/02/95/27/339029527.db2.gz DXJILTOSIXQAGG-FOIQADDNSA-N -1 3 323.440 3.783 20 0 DHADHM CCOc1cc(CN(C)Cc2cnccc2C)cc(Cl)c1[O-] ZINC000459517583 339033620 /nfs/dbraw/zinc/03/36/20/339033620.db2.gz CVULXEWTVSFGDA-UHFFFAOYSA-N -1 3 320.820 3.780 20 0 DHADHM CCOc1cc(CN2CCC[C@@H]2C(F)F)cc(Cl)c1[O-] ZINC000459551873 339035385 /nfs/dbraw/zinc/03/53/85/339035385.db2.gz UBXFIGFZRMFWGP-LLVKDONJSA-N -1 3 305.752 3.674 20 0 DHADHM C[C@@H](CCCc1cccnc1)NCc1cccc([O-])c1Cl ZINC000459641845 339039960 /nfs/dbraw/zinc/03/99/60/339039960.db2.gz BAQMXVALYPWNTP-ZDUSSCGKSA-N -1 3 304.821 3.942 20 0 DHADHM CCCc1nsc(Sc2nnc(-c3ccccc3F)[n-]2)n1 ZINC000461722961 339066028 /nfs/dbraw/zinc/06/60/28/339066028.db2.gz YBHAPOVMKZKCOH-UHFFFAOYSA-N -1 3 321.406 3.566 20 0 DHADHM CCCc1nsc(Sc2nc(-c3ccccc3F)n[n-]2)n1 ZINC000461722961 339066029 /nfs/dbraw/zinc/06/60/29/339066029.db2.gz YBHAPOVMKZKCOH-UHFFFAOYSA-N -1 3 321.406 3.566 20 0 DHADHM CCCc1nsc(Sc2n[n-]c(-c3ccccc3F)n2)n1 ZINC000461722961 339066030 /nfs/dbraw/zinc/06/60/30/339066030.db2.gz YBHAPOVMKZKCOH-UHFFFAOYSA-N -1 3 321.406 3.566 20 0 DHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000462707874 339084326 /nfs/dbraw/zinc/08/43/26/339084326.db2.gz ZVAPYSATQZTAAH-OUAUKWLOSA-N -1 3 319.879 3.649 20 0 DHADHM Cc1ccc(NC(=O)c2cc(Cl)cc3c2OCC3)c([O-])c1 ZINC000462900335 339096907 /nfs/dbraw/zinc/09/69/07/339096907.db2.gz AVNVWABMPZIVNG-UHFFFAOYSA-N -1 3 303.745 3.541 20 0 DHADHM CCc1nnsc1C(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000466586334 339209862 /nfs/dbraw/zinc/20/98/62/339209862.db2.gz IIZGRUVVFHNHAA-UHFFFAOYSA-N -1 3 320.176 3.799 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)c(C)c1 ZINC000467086742 339225999 /nfs/dbraw/zinc/22/59/99/339225999.db2.gz UGXSKZDQTQPYBA-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM C[C@H]1CCC[C@@H](N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468317477 339259660 /nfs/dbraw/zinc/25/96/60/339259660.db2.gz OVFFWIIESODHKD-DZGCQCFKSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@H](CCc1ccco1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468552360 339266090 /nfs/dbraw/zinc/26/60/90/339266090.db2.gz GZIOATKKBZTICK-CYBMUJFWSA-N -1 3 319.376 3.585 20 0 DHADHM C[C@@H]1CCC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468620053 339267126 /nfs/dbraw/zinc/26/71/26/339267126.db2.gz RYPFQNVPVANSIF-HIFRSBDPSA-N -1 3 307.409 3.797 20 0 DHADHM COc1cc(C)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468648154 339268001 /nfs/dbraw/zinc/26/80/01/339268001.db2.gz NZQOYESIUGKDIG-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NCCC1=CCCCCC1 ZINC000468650549 339268008 /nfs/dbraw/zinc/26/80/08/339268008.db2.gz ZATDBJUMCYLLTD-UHFFFAOYSA-N -1 3 307.821 3.985 20 0 DHADHM CCOc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468650335 339268046 /nfs/dbraw/zinc/26/80/46/339268046.db2.gz TZEPUJUYPZIOAG-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H]1c1ccccc1 ZINC000468781624 339270702 /nfs/dbraw/zinc/27/07/02/339270702.db2.gz AZBZHWWJYUTGQT-QGZVFWFLSA-N -1 3 313.372 3.828 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468862029 339273014 /nfs/dbraw/zinc/27/30/14/339273014.db2.gz GTCSTRWXKXVWKE-ZBFHGGJFSA-N -1 3 307.409 3.939 20 0 DHADHM CC[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469372746 339287183 /nfs/dbraw/zinc/28/71/83/339287183.db2.gz FJEGYANMFXHKHD-ZFWWWQNUSA-N -1 3 307.409 3.939 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000469414577 339288290 /nfs/dbraw/zinc/28/82/90/339288290.db2.gz SZMDEKZAUFUCEM-GDBMZVCRSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000469815157 339301836 /nfs/dbraw/zinc/30/18/36/339301836.db2.gz AUCCQIPVQPPPMD-FRFSOERESA-N -1 3 319.420 3.891 20 0 DHADHM Cc1cc(Cl)ccc1NC(=O)c1c[n-]nc1-c1ccncc1 ZINC000471689626 339351079 /nfs/dbraw/zinc/35/10/79/339351079.db2.gz SMFYYSPIPJEBTP-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cc(Cl)ccc1NC(=O)c1cn[n-]c1-c1ccncc1 ZINC000471689626 339351080 /nfs/dbraw/zinc/35/10/80/339351080.db2.gz SMFYYSPIPJEBTP-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)sc1Cl ZINC000473857448 339393468 /nfs/dbraw/zinc/39/34/68/339393468.db2.gz HKGOOAJQIYOVCO-SNVBAGLBSA-N -1 3 315.847 3.749 20 0 DHADHM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])CO2 ZINC000474533138 339418276 /nfs/dbraw/zinc/41/82/76/339418276.db2.gz HTGJPNWMJMHGEJ-ZDUSSCGKSA-N -1 3 317.772 3.777 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1[O-] ZINC000486049844 339719328 /nfs/dbraw/zinc/71/93/28/339719328.db2.gz CAMCASITAQBDNL-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM O=c1cc(C=Cc2cccc(Cl)c2)nc(-c2ccncc2)[n-]1 ZINC000486104862 339721244 /nfs/dbraw/zinc/72/12/44/339721244.db2.gz VPHOLHZNXLVPQD-PLNGDYQASA-N -1 3 309.756 3.656 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000486739333 339732912 /nfs/dbraw/zinc/73/29/12/339732912.db2.gz OELSPSKQFBPRML-MRXNPFEDSA-N -1 3 313.372 3.723 20 0 DHADHM CCc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)ccc1[O-] ZINC000486791548 339734303 /nfs/dbraw/zinc/73/43/03/339734303.db2.gz QKPOANAYWASDTF-KSSFIOAISA-N -1 3 309.409 3.973 20 0 DHADHM CCc1cc(C(=O)N2CCC(C)=C(c3ccco3)C2)ccc1[O-] ZINC000488338802 339777626 /nfs/dbraw/zinc/77/76/26/339777626.db2.gz MOERISHSTFFPSD-UHFFFAOYSA-N -1 3 311.381 3.867 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488883977 339795969 /nfs/dbraw/zinc/79/59/69/339795969.db2.gz HQKCLDMLQHEOLB-MFKMUULPSA-N -1 3 319.829 3.726 20 0 DHADHM CCc1cc(C(=O)N2Cc3cccc(Cl)c3C2)ccc1[O-] ZINC000489139791 339802340 /nfs/dbraw/zinc/80/23/40/339802340.db2.gz WEWDMTZUAYYXMS-UHFFFAOYSA-N -1 3 301.773 3.764 20 0 DHADHM COc1ccc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2c1 ZINC000490651961 339836566 /nfs/dbraw/zinc/83/65/66/339836566.db2.gz MVZISMPLAFUGDS-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1cccnc1/C=C\C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492604605 339905003 /nfs/dbraw/zinc/90/50/03/339905003.db2.gz PQZGFRJMLYMOAT-ALCCZGGFSA-N -1 3 322.286 3.766 20 0 DHADHM O=C(/C=C\c1cc(F)c(F)c(F)c1)Nc1ccc([O-])cc1F ZINC000492671874 339906632 /nfs/dbraw/zinc/90/66/32/339906632.db2.gz CGAMKEOSHDTSEB-RJRFIUFISA-N -1 3 311.234 3.601 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000495396279 339982644 /nfs/dbraw/zinc/98/26/44/339982644.db2.gz NLRGJXZEUYRRSC-SFHVURJKSA-N -1 3 323.392 3.768 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000496881372 340015252 /nfs/dbraw/zinc/01/52/52/340015252.db2.gz IVOOCGIRKBOXMU-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)NCCCc2cccc(Cl)c2)ccc1[O-] ZINC000499699700 340042939 /nfs/dbraw/zinc/04/29/39/340042939.db2.gz VLEMFZFDBNYMNN-UHFFFAOYSA-N -1 3 303.789 3.717 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1[O-] ZINC000499861603 340046094 /nfs/dbraw/zinc/04/60/94/340046094.db2.gz LATWXQJQWFYITI-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)ccc1[O-] ZINC000499943500 340047416 /nfs/dbraw/zinc/04/74/16/340047416.db2.gz BOZVDLCQSMEBOL-UHFFFAOYSA-N -1 3 312.369 3.669 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000500050241 340049318 /nfs/dbraw/zinc/04/93/18/340049318.db2.gz BYKZDVAQYSMINE-GBIKHYSHSA-N -1 3 319.829 3.582 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000500766356 340066841 /nfs/dbraw/zinc/06/68/41/340066841.db2.gz QKCAOVVFNOZHII-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H](C)CCC ZINC000503182747 340122801 /nfs/dbraw/zinc/12/28/01/340122801.db2.gz SQPCJTRNRJOPDR-GFCCVEGCSA-N -1 3 320.412 3.918 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H](C)CCC ZINC000503182747 340122802 /nfs/dbraw/zinc/12/28/02/340122802.db2.gz SQPCJTRNRJOPDR-GFCCVEGCSA-N -1 3 320.412 3.918 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H](C)CCC ZINC000503182747 340122803 /nfs/dbraw/zinc/12/28/03/340122803.db2.gz SQPCJTRNRJOPDR-GFCCVEGCSA-N -1 3 320.412 3.918 20 0 DHADHM O=C(CCc1ccc(F)cc1F)Nc1cc(Cl)ccc1[O-] ZINC000503440520 340128358 /nfs/dbraw/zinc/12/83/58/340128358.db2.gz NACPUTHKVNLTPQ-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2[nH]nc3ccccc32)c([O-])c1 ZINC000506252774 340190185 /nfs/dbraw/zinc/19/01/85/340190185.db2.gz HMBJUASBJAOWAN-UHFFFAOYSA-N -1 3 323.396 3.747 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000506744841 340200602 /nfs/dbraw/zinc/20/06/02/340200602.db2.gz UPCDUSDUGNJHPE-CQSZACIVSA-N -1 3 315.344 3.678 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000506976293 340204645 /nfs/dbraw/zinc/20/46/45/340204645.db2.gz XSOOIMGXFRWLMU-VIFPVBQESA-N -1 3 308.332 3.515 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000506976293 340204646 /nfs/dbraw/zinc/20/46/46/340204646.db2.gz XSOOIMGXFRWLMU-VIFPVBQESA-N -1 3 308.332 3.515 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000506976293 340204647 /nfs/dbraw/zinc/20/46/47/340204647.db2.gz XSOOIMGXFRWLMU-VIFPVBQESA-N -1 3 308.332 3.515 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000507020560 340205565 /nfs/dbraw/zinc/20/55/65/340205565.db2.gz JVLHVCVZSCCSMC-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM CC[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000402483522 340239116 /nfs/dbraw/zinc/23/91/16/340239116.db2.gz RMQNDWBYXBCDNI-MRVPVSSYSA-N -1 3 309.715 3.754 20 0 DHADHM [O-]c1cccc(CN(C[C@H]2CCCO2)C2CCCC2)c1Cl ZINC000508757046 340252662 /nfs/dbraw/zinc/25/26/62/340252662.db2.gz KPSGYCKJZRGHFG-OAHLLOKOSA-N -1 3 309.837 3.969 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1C1CCCC1 ZINC000509093335 340261112 /nfs/dbraw/zinc/26/11/12/340261112.db2.gz HVYOYTVNCRZNKX-MRXNPFEDSA-N -1 3 307.821 3.769 20 0 DHADHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc([O-])c1 ZINC000509110598 340261558 /nfs/dbraw/zinc/26/15/58/340261558.db2.gz VFWIKTPHSSYWNT-QGZVFWFLSA-N -1 3 301.361 3.528 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccccc2OC(F)F)c1F ZINC000509265817 340264993 /nfs/dbraw/zinc/26/49/93/340264993.db2.gz WUSTWVJSULUIMT-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM O=C(NCCCOc1ccc2ccccc2c1)c1cccc([O-])c1 ZINC000509272299 340265064 /nfs/dbraw/zinc/26/50/64/340265064.db2.gz ARFVWEJWFJFVIV-UHFFFAOYSA-N -1 3 321.376 3.744 20 0 DHADHM COc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2)C(C)C)c1 ZINC000509405822 340268558 /nfs/dbraw/zinc/26/85/58/340268558.db2.gz SLJNWEQXPQZLPW-KRWDZBQOSA-N -1 3 313.397 3.570 20 0 DHADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000509510285 340271771 /nfs/dbraw/zinc/27/17/71/340271771.db2.gz PBRMAPNKPOSNOT-OAHLLOKOSA-N -1 3 323.314 3.686 20 0 DHADHM C[C@@H](OCCCNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509698606 340277455 /nfs/dbraw/zinc/27/74/55/340277455.db2.gz PHLWTMDDOHOPOU-CYBMUJFWSA-N -1 3 321.367 3.928 20 0 DHADHM O=S(=O)([N-]C1(c2ccccc2)CCCCC1)c1cccs1 ZINC000510242303 340293878 /nfs/dbraw/zinc/29/38/78/340293878.db2.gz ZDJGUQCJSZJADP-UHFFFAOYSA-N -1 3 321.467 3.886 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cc(-c3ccccc3)on2)c1F ZINC000510476649 340300681 /nfs/dbraw/zinc/30/06/81/340300681.db2.gz YEZHDOIZPYOVIT-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM CCS[C@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000511556592 340330549 /nfs/dbraw/zinc/33/05/49/340330549.db2.gz RGRRWJQMYHWLQL-MNOVXSKESA-N -1 3 301.402 3.824 20 0 DHADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(F)cc1F ZINC000303737893 340344249 /nfs/dbraw/zinc/34/42/49/340344249.db2.gz HHPLRQSSSABDCI-AWEZNQCLSA-N -1 3 321.323 3.560 20 0 DHADHM [O-]c1cccc(CN2CC[C@@H](COc3ccccc3)C2)c1Cl ZINC000512339549 340357958 /nfs/dbraw/zinc/35/79/58/340357958.db2.gz WWLBIIHYAKKWEM-CQSZACIVSA-N -1 3 317.816 3.947 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000512588176 340368252 /nfs/dbraw/zinc/36/82/52/340368252.db2.gz ODFTUOWCDQIMHH-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC2(CC2)c2ccccc21 ZINC000178417448 340449294 /nfs/dbraw/zinc/44/92/94/340449294.db2.gz QJPUXAXAGUAMFW-UHFFFAOYSA-N -1 3 313.784 3.667 20 0 DHADHM CC(=O)[C@@H](C)CSc1nnc([N-]c2ccccc2F)s1 ZINC000088490951 340461441 /nfs/dbraw/zinc/46/14/41/340461441.db2.gz VYAILXIGCMBOPR-QMMMGPOBSA-N -1 3 311.407 3.738 20 0 DHADHM Cc1cccc([O-])c1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000183061929 340486383 /nfs/dbraw/zinc/48/63/83/340486383.db2.gz WTZIQQBOSQWPAQ-UHFFFAOYSA-N -1 3 319.788 3.988 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1F ZINC000187072135 340517620 /nfs/dbraw/zinc/51/76/20/340517620.db2.gz NDTVCIBNAYQSEU-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000524009432 340645615 /nfs/dbraw/zinc/64/56/15/340645615.db2.gz XWAOGTQBIBAXDX-SFHVURJKSA-N -1 3 311.381 3.672 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c1 ZINC000525253356 340697020 /nfs/dbraw/zinc/69/70/20/340697020.db2.gz QXIZIRSGQTYQDE-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1 ZINC000074934660 340711396 /nfs/dbraw/zinc/71/13/96/340711396.db2.gz VXEWYBUYJLHGKD-LBPRGKRZSA-N -1 3 304.415 3.704 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(OC(F)F)ccc1F ZINC000528898868 340738239 /nfs/dbraw/zinc/73/82/39/340738239.db2.gz LTBFWGAOADXIKY-UHFFFAOYSA-N -1 3 314.263 3.538 20 0 DHADHM CC(C)c1cc(Cl)ccc1NC(=O)Cc1cncc([O-])c1 ZINC000529849048 340771661 /nfs/dbraw/zinc/77/16/61/340771661.db2.gz PTCHADRKKDURIR-UHFFFAOYSA-N -1 3 304.777 3.745 20 0 DHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C)OC ZINC000530147033 340780758 /nfs/dbraw/zinc/78/07/58/340780758.db2.gz XBCQQEQVYRCCNC-LBPRGKRZSA-N -1 3 319.854 3.630 20 0 DHADHM [O-]c1cccc(CNCc2ccc(OC(F)F)cc2)c1Cl ZINC000328387189 340785079 /nfs/dbraw/zinc/78/50/79/340785079.db2.gz SYVQPKVRGMPGGB-UHFFFAOYSA-N -1 3 313.731 3.937 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1[O-] ZINC000530340866 340788620 /nfs/dbraw/zinc/78/86/20/340788620.db2.gz PCKRRLSCWIVVSM-GFCCVEGCSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)c3ccccc32)o1 ZINC000538006869 340806987 /nfs/dbraw/zinc/80/69/87/340806987.db2.gz LYJKOZQXBLMRBJ-OAHLLOKOSA-N -1 3 319.426 3.679 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2ccccc2)CC1 ZINC000125772256 340808504 /nfs/dbraw/zinc/80/85/04/340808504.db2.gz CFLYGEPJLTXLHD-HNNXBMFYSA-N -1 3 311.381 3.508 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000538219515 340813891 /nfs/dbraw/zinc/81/38/91/340813891.db2.gz OHZNISBKOFSHGK-UHFFFAOYSA-N -1 3 308.337 3.648 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000126359128 340826374 /nfs/dbraw/zinc/82/63/74/340826374.db2.gz RVCJYJNHXNQMNQ-UHFFFAOYSA-N -1 3 315.369 3.578 20 0 DHADHM CCCCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128964240 340932625 /nfs/dbraw/zinc/93/26/25/340932625.db2.gz QREUHPJPNPSAGM-UHFFFAOYSA-N -1 3 303.333 3.963 20 0 DHADHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129752555 340985326 /nfs/dbraw/zinc/98/53/26/340985326.db2.gz VTVHCHGICBTQPM-AWEZNQCLSA-N -1 3 301.361 3.985 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1CC(c2cccc(F)c2)C1 ZINC000542105075 340995490 /nfs/dbraw/zinc/99/54/90/340995490.db2.gz AWZJNVCXMUSPOS-UHFFFAOYSA-N -1 3 303.308 3.803 20 0 DHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCCC1 ZINC000130146709 341002288 /nfs/dbraw/zinc/00/22/88/341002288.db2.gz PYSYIANCBOPHSN-UHFFFAOYSA-N -1 3 311.381 3.597 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(OCC2CCCCC2)CC1 ZINC000542816570 341021866 /nfs/dbraw/zinc/02/18/66/341021866.db2.gz YQPOWIILOCAAMJ-UHFFFAOYSA-N -1 3 317.429 3.594 20 0 DHADHM Cc1ccc2c(CCC(=O)Nc3ccc([O-])cc3F)c[nH]c2c1 ZINC000543027630 341028593 /nfs/dbraw/zinc/02/85/93/341028593.db2.gz HKIQYBNAIZMPBD-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(F)c(F)c3)no2)c1[O-] ZINC000543635835 341052415 /nfs/dbraw/zinc/05/24/15/341052415.db2.gz USPZGNKBKVYACI-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM Cc1ccc(OCCCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000071931384 341055091 /nfs/dbraw/zinc/05/50/91/341055091.db2.gz FDPKEXCNFGPING-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc([O-])c1 ZINC000543748787 341056758 /nfs/dbraw/zinc/05/67/58/341056758.db2.gz FVRXFGDBCRXDLL-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1[O-] ZINC000544318333 341076524 /nfs/dbraw/zinc/07/65/24/341076524.db2.gz VUOSAMHUMAKKMG-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1ccsc1-c1nsc([N-]C(=O)c2csnc2C)n1 ZINC000131380002 341083422 /nfs/dbraw/zinc/08/34/22/341083422.db2.gz LPNFMNYGOCOKSA-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM COc1cc(C)cc(-c2nc(C3Cc4ccccc4C3)no2)c1[O-] ZINC000544539119 341085232 /nfs/dbraw/zinc/08/52/32/341085232.db2.gz DETCJYQMYRWIFX-UHFFFAOYSA-N -1 3 322.364 3.642 20 0 DHADHM CCC[C@H](C)N(C)Cc1ccc(OC)c([O-])c1Br ZINC000544943996 341100427 /nfs/dbraw/zinc/10/04/27/341100427.db2.gz XYRTWXFIPWPVSL-JTQLQIEISA-N -1 3 316.239 3.784 20 0 DHADHM CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000131927371 341113748 /nfs/dbraw/zinc/11/37/48/341113748.db2.gz UVMZULSMIKGJTG-HNNXBMFYSA-N -1 3 317.816 3.726 20 0 DHADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C)cc1 ZINC000073509529 341117714 /nfs/dbraw/zinc/11/77/14/341117714.db2.gz YFXGLASWMHXBNI-KRWDZBQOSA-N -1 3 320.392 3.718 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c1 ZINC000545806585 341141909 /nfs/dbraw/zinc/14/19/09/341141909.db2.gz RCMBCZWJNKQWBX-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000132744070 341144445 /nfs/dbraw/zinc/14/44/45/341144445.db2.gz WNBODIYGUXEDSK-KBPBESRZSA-N -1 3 319.763 3.605 20 0 DHADHM CCc1ncc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000545954335 341148333 /nfs/dbraw/zinc/14/83/33/341148333.db2.gz OAFQPBFQPQKKAU-SNVBAGLBSA-N -1 3 302.399 3.565 20 0 DHADHM CCc1ccccc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000547020343 341191864 /nfs/dbraw/zinc/19/18/64/341191864.db2.gz AVVZRIUZBBWKAZ-UHFFFAOYSA-N -1 3 306.325 3.949 20 0 DHADHM CCc1ccccc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000547020343 341191865 /nfs/dbraw/zinc/19/18/65/341191865.db2.gz AVVZRIUZBBWKAZ-UHFFFAOYSA-N -1 3 306.325 3.949 20 0 DHADHM COc1csc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000134224720 341209963 /nfs/dbraw/zinc/20/99/63/341209963.db2.gz YCLCHKFPVZNBSH-UHFFFAOYSA-N -1 3 317.288 3.733 20 0 DHADHM CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000134377298 341214232 /nfs/dbraw/zinc/21/42/32/341214232.db2.gz PDMMCZMPNVMGLG-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(Cl)ccc1[O-] ZINC000135142665 341232225 /nfs/dbraw/zinc/23/22/25/341232225.db2.gz NVZKCXNYNDIRSF-UHFFFAOYSA-N -1 3 315.678 3.644 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 ZINC000078271111 341239388 /nfs/dbraw/zinc/23/93/88/341239388.db2.gz CIARUCIDUVDSCB-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](c1ccccc1)C1CC1 ZINC000136134353 341253369 /nfs/dbraw/zinc/25/33/69/341253369.db2.gz NCGDEQRHPKKMGF-GOSISDBHSA-N -1 3 315.800 3.856 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C1=CCCCCC1 ZINC000548502701 341264478 /nfs/dbraw/zinc/26/44/78/341264478.db2.gz WRPDDCICONGCJK-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM O=C(CC[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458288 341291627 /nfs/dbraw/zinc/29/16/27/341291627.db2.gz HCXITSTXOKKTNC-LLVKDONJSA-N -1 3 317.307 3.699 20 0 DHADHM CS[C@@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459938 341291682 /nfs/dbraw/zinc/29/16/82/341291682.db2.gz XUMRUXZUQPNUQL-LBPRGKRZSA-N -1 3 301.411 3.673 20 0 DHADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(C2CCCCC2)cc1 ZINC000551468113 341342489 /nfs/dbraw/zinc/34/24/89/341342489.db2.gz YZOYXJIDJVYJIL-UHFFFAOYSA-N -1 3 321.364 3.575 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000552004824 341359266 /nfs/dbraw/zinc/35/92/66/341359266.db2.gz XAVLKWDCZBJJPU-SMDDNHRTSA-N -1 3 303.793 3.652 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2scnc2C(C)(C)C)c1[O-] ZINC000552069558 341367218 /nfs/dbraw/zinc/36/72/18/341367218.db2.gz ZUJAEDOBTOAVOT-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)[n-]1 ZINC000552137397 341372552 /nfs/dbraw/zinc/37/25/52/341372552.db2.gz RPYXCBDEPFTFCL-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2cccc3ccccc32)c1[O-] ZINC000552286516 341384334 /nfs/dbraw/zinc/38/43/34/341384334.db2.gz RZMFEDGXECMKHD-UHFFFAOYSA-N -1 3 319.360 3.929 20 0 DHADHM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000553577510 341431805 /nfs/dbraw/zinc/43/18/05/341431805.db2.gz DTKOJDDRKHJQCY-UHFFFAOYSA-N -1 3 311.715 3.567 20 0 DHADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c([O-])c1 ZINC000554271735 341448176 /nfs/dbraw/zinc/44/81/76/341448176.db2.gz CZEFYCFLLQBAKJ-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1[O-] ZINC000554583237 341459145 /nfs/dbraw/zinc/45/91/45/341459145.db2.gz UVJMXTDQUWEKGR-IBGZPJMESA-N -1 3 313.372 3.666 20 0 DHADHM O=C(/C=C\c1ccnc2ccccc12)Nc1cccc([O-])c1F ZINC000254987732 341495967 /nfs/dbraw/zinc/49/59/67/341495967.db2.gz VHBMLWGLYGDYDC-HJWRWDBZSA-N -1 3 308.312 3.731 20 0 DHADHM COc1ccccc1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153659438 341576537 /nfs/dbraw/zinc/57/65/37/341576537.db2.gz VAHUISOKTZNHSS-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM O=C(c1ccc(-n2cccc2)cc1)N1CCCc2cccc([O-])c21 ZINC000155578968 341609719 /nfs/dbraw/zinc/60/97/19/341609719.db2.gz MIDLMNSKWDBCJU-UHFFFAOYSA-N -1 3 318.376 3.776 20 0 DHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2[O-])c1C(C)C ZINC000157249071 341635205 /nfs/dbraw/zinc/63/52/05/341635205.db2.gz XORWWYZHYNLGJK-UHFFFAOYSA-N -1 3 318.348 3.746 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000276148611 341654881 /nfs/dbraw/zinc/65/48/81/341654881.db2.gz CSEOXQRZDKIODP-LBPRGKRZSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1csc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1Cl ZINC000568822775 341682601 /nfs/dbraw/zinc/68/26/01/341682601.db2.gz DXOUHVZAQNCJSW-UHFFFAOYSA-N -1 3 317.761 3.698 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])cc1Br ZINC000573330978 341725162 /nfs/dbraw/zinc/72/51/62/341725162.db2.gz HKTNAWQVQKIGHG-UWVGGRQHSA-N -1 3 312.207 3.520 20 0 DHADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000573531467 341731204 /nfs/dbraw/zinc/73/12/04/341731204.db2.gz YEFBTYYWESIXHU-CYBMUJFWSA-N -1 3 321.376 3.612 20 0 DHADHM Cc1cccc2c(CCC(=O)Nc3cc(F)ccc3[O-])c[nH]c21 ZINC000174872441 341832669 /nfs/dbraw/zinc/83/26/69/341832669.db2.gz ODFFJKDJWRTAGZ-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccnc1 ZINC000175820599 341847103 /nfs/dbraw/zinc/84/71/03/341847103.db2.gz VLLJPTHXOOAQJF-VIFPVBQESA-N -1 3 310.275 3.548 20 0 DHADHM CSCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175849480 341848832 /nfs/dbraw/zinc/84/88/32/341848832.db2.gz BEPGHSXLHGFBHB-UHFFFAOYSA-N -1 3 301.411 3.675 20 0 DHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000576761390 341862064 /nfs/dbraw/zinc/86/20/64/341862064.db2.gz KIMXPSJGYOUHIF-RULNRJAQSA-N -1 3 314.212 3.851 20 0 DHADHM Cc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176435464 341875513 /nfs/dbraw/zinc/87/55/13/341875513.db2.gz JVPXEQIPGVWAGO-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1C ZINC000577094822 341885569 /nfs/dbraw/zinc/88/55/69/341885569.db2.gz DNOMIRYYVNZZHB-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1SCCc2ccccc21 ZINC000178325632 341951687 /nfs/dbraw/zinc/95/16/87/341951687.db2.gz VTUFFSRUBFHWJT-HNNXBMFYSA-N -1 3 303.358 3.500 20 0 DHADHM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162733600 518413625 /nfs/dbraw/zinc/41/36/25/518413625.db2.gz WPWONAWOTCQWAF-CLFYSBASSA-N -1 3 307.699 3.744 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000338163356 519856917 /nfs/dbraw/zinc/85/69/17/519856917.db2.gz DGXHIEKUIQUNTQ-UHFFFAOYSA-N -1 3 304.400 3.524 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(OC)c(OC)cc2F)on1 ZINC000154847740 522032630 /nfs/dbraw/zinc/03/26/30/522032630.db2.gz FXARWFXKEDAZMR-VIFPVBQESA-N -1 3 322.336 3.597 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)ccc1[O-] ZINC000268058968 522076450 /nfs/dbraw/zinc/07/64/50/522076450.db2.gz CKNOOAQJHJPTOX-OAHLLOKOSA-N -1 3 303.402 3.586 20 0 DHADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(O)cc1[O-] ZINC000126775976 522633415 /nfs/dbraw/zinc/63/34/15/522633415.db2.gz XNFUXNFFTZTFNB-HNNXBMFYSA-N -1 3 313.397 3.581 20 0 DHADHM CCc1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)o1 ZINC000181755165 523949418 /nfs/dbraw/zinc/94/94/18/523949418.db2.gz FQKVCNLSTHKNAJ-HNNXBMFYSA-N -1 3 311.341 3.513 20 0 DHADHM Cc1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000181957194 524621757 /nfs/dbraw/zinc/62/17/57/524621757.db2.gz MOUJVAVGVJTBFV-CQSZACIVSA-N -1 3 313.382 3.728 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cn(C)nc2C(C)(C)C)c1[O-] ZINC000127449167 524875990 /nfs/dbraw/zinc/87/59/90/524875990.db2.gz HWFAIBZBIRJAEK-UHFFFAOYSA-N -1 3 321.808 3.637 20 0 DHADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000339663297 525384439 /nfs/dbraw/zinc/38/44/39/525384439.db2.gz FFHPKGVJKMIFNA-CYBMUJFWSA-N -1 3 315.800 3.984 20 0 DHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000266642931 525513986 /nfs/dbraw/zinc/51/39/86/525513986.db2.gz BRFLTOWREDUFIS-NQBHXWOUSA-N -1 3 303.431 3.550 20 0 DHADHM C[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188423004 526261990 /nfs/dbraw/zinc/26/19/90/526261990.db2.gz AXOLDJZCYJGMAE-TVQRCGJNSA-N -1 3 301.308 3.720 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c1Cl ZINC000339289821 526360070 /nfs/dbraw/zinc/36/00/70/526360070.db2.gz INKVPKZWVUASHM-ZIAGYGMSSA-N -1 3 305.809 3.516 20 0 DHADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cc(C)ccc2Cl)c1C ZINC000267132991 526639667 /nfs/dbraw/zinc/63/96/67/526639667.db2.gz WJGHNGLQIKIJHZ-NSHDSACASA-N -1 3 308.765 3.659 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000156236433 526684885 /nfs/dbraw/zinc/68/48/85/526684885.db2.gz KSXTXEVPRUALJU-QWRGUYRKSA-N -1 3 319.298 3.516 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000156236556 526685677 /nfs/dbraw/zinc/68/56/77/526685677.db2.gz KSXTXEVPRUALJU-GHMZBOCLSA-N -1 3 319.298 3.516 20 0 DHADHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccoc1)C1CCCCC1 ZINC000130528969 526720017 /nfs/dbraw/zinc/72/00/17/526720017.db2.gz RSULVXUHXPIAHB-UHFFFAOYSA-N -1 3 324.384 3.526 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]1c1cccnc1 ZINC000363798874 526730515 /nfs/dbraw/zinc/73/05/15/526730515.db2.gz YIFOPXXWNWPFLO-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@@H]1c1ccccc1 ZINC000366309401 526906207 /nfs/dbraw/zinc/90/62/07/526906207.db2.gz BIPIPOIWXMRNII-CQSZACIVSA-N -1 3 302.399 3.606 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cccc(F)c1Br ZINC000236571018 527429787 /nfs/dbraw/zinc/42/97/87/527429787.db2.gz PWTCYFIVSFZIFM-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM CC[C@@H]1C[C@H](CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000274380789 535893349 /nfs/dbraw/zinc/89/33/49/535893349.db2.gz MYEPKAACOFSWDF-RBSFLKMASA-N -1 3 317.429 3.828 20 0 DHADHM CC(C)CCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735797404 598937987 /nfs/dbraw/zinc/93/79/87/598937987.db2.gz OPGVYEXGSSMQQG-SNVBAGLBSA-N -1 3 308.817 3.542 20 0 DHADHM CC(C)CCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735797404 598937989 /nfs/dbraw/zinc/93/79/89/598937989.db2.gz OPGVYEXGSSMQQG-SNVBAGLBSA-N -1 3 308.817 3.542 20 0 DHADHM Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000737265394 599169523 /nfs/dbraw/zinc/16/95/23/599169523.db2.gz VFLOVNAAWWQEJQ-UHFFFAOYSA-N -1 3 320.418 3.976 20 0 DHADHM Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000737265394 599169524 /nfs/dbraw/zinc/16/95/24/599169524.db2.gz VFLOVNAAWWQEJQ-UHFFFAOYSA-N -1 3 320.418 3.976 20 0 DHADHM CCc1nc(C)c([C@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000818343572 597244764 /nfs/dbraw/zinc/24/47/64/597244764.db2.gz GZKYBGAHCIDDSI-JTQLQIEISA-N -1 3 304.415 3.563 20 0 DHADHM C[C@@H](Sc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190630 599286806 /nfs/dbraw/zinc/28/68/06/599286806.db2.gz GDCRPGGNGDVYHJ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190630 599286808 /nfs/dbraw/zinc/28/68/08/599286808.db2.gz GDCRPGGNGDVYHJ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194215 599287425 /nfs/dbraw/zinc/28/74/25/599287425.db2.gz XZQTXWMZGJADKK-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194215 599287427 /nfs/dbraw/zinc/28/74/27/599287427.db2.gz XZQTXWMZGJADKK-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737321335 598240739 /nfs/dbraw/zinc/24/07/39/598240739.db2.gz UBTIPSWFMXKVTH-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Fc1cccc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000737660370 598796068 /nfs/dbraw/zinc/79/60/68/598796068.db2.gz IZOMMKHKXSSDED-KRWDZBQOSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1cccc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000737660370 598796070 /nfs/dbraw/zinc/79/60/70/598796070.db2.gz IZOMMKHKXSSDED-KRWDZBQOSA-N -1 3 323.375 3.959 20 0 DHADHM Clc1ccc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737578118 599314626 /nfs/dbraw/zinc/31/46/26/599314626.db2.gz YGOFHFRCLLWMEN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737578118 599314629 /nfs/dbraw/zinc/31/46/29/599314629.db2.gz YGOFHFRCLLWMEN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821674242 599373972 /nfs/dbraw/zinc/37/39/72/599373972.db2.gz YFOOIPKBQZRBTQ-QWHCGFSZSA-N -1 3 323.400 3.747 20 0 DHADHM CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821674242 599373976 /nfs/dbraw/zinc/37/39/76/599373976.db2.gz YFOOIPKBQZRBTQ-QWHCGFSZSA-N -1 3 323.400 3.747 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000737342218 599399897 /nfs/dbraw/zinc/39/98/97/599399897.db2.gz MZZAXXNFRNMOON-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000737342218 599399900 /nfs/dbraw/zinc/39/99/00/599399900.db2.gz MZZAXXNFRNMOON-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1F ZINC000822201236 599467122 /nfs/dbraw/zinc/46/71/22/599467122.db2.gz XDXWTHPPLLWDBT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccc1F ZINC000822201236 599467124 /nfs/dbraw/zinc/46/71/24/599467124.db2.gz XDXWTHPPLLWDBT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(C)c1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737388057 599582401 /nfs/dbraw/zinc/58/24/01/599582401.db2.gz KMCKLCHMXNFNJE-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1cccc(C)c1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737388057 599582403 /nfs/dbraw/zinc/58/24/03/599582403.db2.gz KMCKLCHMXNFNJE-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM CC1(C)CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000565662444 599875399 /nfs/dbraw/zinc/87/53/99/599875399.db2.gz ARZYPTWLASVCHS-UHFFFAOYSA-N -1 3 316.426 3.883 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCO[C@H](c2ccccc2)C1 ZINC000736718624 599894004 /nfs/dbraw/zinc/89/40/04/599894004.db2.gz RTZMGELHXBXBRT-DYVFJYSZSA-N -1 3 315.369 3.502 20 0 DHADHM O=C([O-])c1cccc(OCCN2CCCC[C@H]2c2ccco2)c1 ZINC000740231325 600218107 /nfs/dbraw/zinc/21/81/07/600218107.db2.gz LKXIKPIPHSNXBT-INIZCTEOSA-N -1 3 315.369 3.584 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCCCC[C@@H]1c1ccco1 ZINC000738964250 600263329 /nfs/dbraw/zinc/26/33/29/600263329.db2.gz SBMBITQZSUTTQF-CQSZACIVSA-N -1 3 303.358 3.997 20 0 DHADHM COc1ccc(C2(NCc3ccoc3C(=O)[O-])CCCC2)cc1 ZINC000737979042 600284357 /nfs/dbraw/zinc/28/43/57/600284357.db2.gz BSOKHTUMAVXTKF-UHFFFAOYSA-N -1 3 315.369 3.546 20 0 DHADHM O=C([O-])c1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000740125814 600630497 /nfs/dbraw/zinc/63/04/97/600630497.db2.gz OMBQNNVFAIVAKB-KRWDZBQOSA-N -1 3 313.422 3.675 20 0 DHADHM Cc1cc([C@H](NCC(=O)[O-])c2ccccc2Cl)ccc1F ZINC000738217582 600681003 /nfs/dbraw/zinc/68/10/03/600681003.db2.gz KMYZPIFXPOGLGS-INIZCTEOSA-N -1 3 307.752 3.551 20 0 DHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000827717143 600746502 /nfs/dbraw/zinc/74/65/02/600746502.db2.gz DIFJRZUCHUUXKI-GXSJLCMTSA-N -1 3 317.216 3.786 20 0 DHADHM CC(C)(CC(=O)[O-])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000736316900 600799494 /nfs/dbraw/zinc/79/94/94/600799494.db2.gz GZZOWZVBYBEOQO-UHFFFAOYSA-N -1 3 324.833 3.806 20 0 DHADHM CC1(C)CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000652417029 600824169 /nfs/dbraw/zinc/82/41/69/600824169.db2.gz SLXINNSKHKUASR-UHFFFAOYSA-N -1 3 316.426 3.883 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2occc2C(=O)[O-])C12CCCCC2 ZINC000520241882 600973041 /nfs/dbraw/zinc/97/30/41/600973041.db2.gz PLBMWWPBTKKPTD-CVEARBPZSA-N -1 3 321.417 3.538 20 0 DHADHM C/C(=C\CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000825730121 601050278 /nfs/dbraw/zinc/05/02/78/601050278.db2.gz RICYLETXFGNARN-DHZHZOJOSA-N -1 3 313.319 3.701 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000519612952 601117418 /nfs/dbraw/zinc/11/74/18/601117418.db2.gz WXFRCSPLMUQRIB-BDJLRTHQSA-N -1 3 303.333 3.700 20 0 DHADHM C/C(=C/CN1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC000825734658 601157804 /nfs/dbraw/zinc/15/78/04/601157804.db2.gz KDRVJGZKTRKMNT-NVNXTCNLSA-N -1 3 317.429 3.684 20 0 DHADHM C/C(=C\CN1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825740861 601163144 /nfs/dbraw/zinc/16/31/44/601163144.db2.gz CHUXRASTLAXZHT-ZHZWZMEUSA-N -1 3 313.319 3.873 20 0 DHADHM C/C(=C\CN1Cc2ccccc2C[C@H]1c1ccccc1)C(=O)[O-] ZINC000825747288 601177764 /nfs/dbraw/zinc/17/77/64/601177764.db2.gz RREIHLGMNOESHQ-LSSBLYJVSA-N -1 3 307.393 3.817 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000828672594 601432900 /nfs/dbraw/zinc/43/29/00/601432900.db2.gz TWVYEGUWBZIKGR-CQSZACIVSA-N -1 3 310.444 3.605 20 0 DHADHM O=C([O-])c1sccc1CN(CCC(F)(F)F)CC1CC1 ZINC000569732254 601492793 /nfs/dbraw/zinc/49/27/93/601492793.db2.gz BCSKUSWFMIVIBU-UHFFFAOYSA-N -1 3 307.337 3.611 20 0 DHADHM O=C([O-])CC1(NCc2ncc(-c3ccccc3)o2)CCCCC1 ZINC000833205739 601553325 /nfs/dbraw/zinc/55/33/25/601553325.db2.gz NMAYNVNJNFPAFL-UHFFFAOYSA-N -1 3 314.385 3.609 20 0 DHADHM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000263562432 601610855 /nfs/dbraw/zinc/61/08/55/601610855.db2.gz CTXJUMTXTNGNHK-UHFFFAOYSA-N -1 3 301.308 3.549 20 0 DHADHM CN(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234289369 601613734 /nfs/dbraw/zinc/61/37/34/601613734.db2.gz DJDHTZQPTCSCFR-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1F ZINC000833312918 601621456 /nfs/dbraw/zinc/62/14/56/601621456.db2.gz KKFMSWZRJMIKHW-QGZVFWFLSA-N -1 3 315.344 3.567 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1F ZINC000833313451 601633434 /nfs/dbraw/zinc/63/34/34/601633434.db2.gz VMGZKTFYVQEKDO-ZDUSSCGKSA-N -1 3 317.335 3.653 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2ccc(F)cc2)o1 ZINC000828804845 601634000 /nfs/dbraw/zinc/63/40/00/601634000.db2.gz UJZSOAGHIBOFNK-UHFFFAOYSA-N -1 3 320.364 3.604 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@H]1c1cccn1C ZINC000833032892 601649582 /nfs/dbraw/zinc/64/95/82/601649582.db2.gz QAGADTHTUVAAGU-HNNXBMFYSA-N -1 3 318.442 3.820 20 0 DHADHM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1cccc(F)c1 ZINC000826951997 601809667 /nfs/dbraw/zinc/80/96/67/601809667.db2.gz YOLNUHGLXNOAQK-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM CCN(Cc1ccsc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000829734674 601829018 /nfs/dbraw/zinc/82/90/18/601829018.db2.gz KPRTURUBCYYXPS-NSHDSACASA-N -1 3 305.399 3.735 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)c1cccc(O)c1 ZINC000829719167 601957408 /nfs/dbraw/zinc/95/74/08/601957408.db2.gz ZYHLHYKRZNCURH-NSHDSACASA-N -1 3 305.399 3.735 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(-c2cccc(Cl)c2)o1 ZINC000828672514 602216973 /nfs/dbraw/zinc/21/69/73/602216973.db2.gz SSZSXRZTHRVFNE-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM O=C([O-])NC1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000740560089 603091273 /nfs/dbraw/zinc/09/12/73/603091273.db2.gz UFJWITAJVOAMQD-UHFFFAOYSA-N -1 3 317.216 3.662 20 0 DHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1C(C)C ZINC000826250501 607656551 /nfs/dbraw/zinc/65/65/51/607656551.db2.gz DOVJDKVZOPCJRH-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1C(C)C ZINC000826250501 607656552 /nfs/dbraw/zinc/65/65/52/607656552.db2.gz DOVJDKVZOPCJRH-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1cc([C@@H](C)N(C)CCOc2cccc(C)c2)oc1C(=O)[O-] ZINC000575875200 604383881 /nfs/dbraw/zinc/38/38/81/604383881.db2.gz XSPVGCMREWCMHV-CQSZACIVSA-N -1 3 317.385 3.666 20 0 DHADHM Cc1cccc(C)c1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000830479335 604775349 /nfs/dbraw/zinc/77/53/49/604775349.db2.gz HEUKDHNPLFTZJA-UHFFFAOYSA-N -1 3 310.397 3.634 20 0 DHADHM C[C@@]1(NCc2coc(-c3cccs3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569850 604817075 /nfs/dbraw/zinc/81/70/75/604817075.db2.gz PQJGDBOTYNZPTE-BLLLJJGKSA-N -1 3 320.414 3.526 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H]2c2ccccc2Cl)O1 ZINC000833586098 604826815 /nfs/dbraw/zinc/82/68/15/604826815.db2.gz XBPRDNXKAGFRRU-LRDDRELGSA-N -1 3 321.804 3.624 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000163784270 604927364 /nfs/dbraw/zinc/92/73/64/604927364.db2.gz KDHCZMYGZHXIBW-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM CC(C)(NCc1ccc(C(=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000833460772 605170416 /nfs/dbraw/zinc/17/04/16/605170416.db2.gz JBJPWWMWYCBURY-UHFFFAOYSA-N -1 3 311.353 3.749 20 0 DHADHM C[C@]1(NCc2ncc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833570420 605243234 /nfs/dbraw/zinc/24/32/34/605243234.db2.gz SPPOWLKCQVXZFA-YGRLFVJLSA-N -1 3 317.216 3.512 20 0 DHADHM C[C@@]1(NCc2ncc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833570416 605243311 /nfs/dbraw/zinc/24/33/11/605243311.db2.gz SPPOWLKCQVXZFA-IINYFYTJSA-N -1 3 317.216 3.512 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833672894 605270114 /nfs/dbraw/zinc/27/01/14/605270114.db2.gz GHQVDNXLSHXFIV-ZBEGNZNMSA-N -1 3 318.804 3.774 20 0 DHADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000833644806 605579137 /nfs/dbraw/zinc/57/91/37/605579137.db2.gz SOZMDZNMQHTNMR-QGZVFWFLSA-N -1 3 310.397 3.898 20 0 DHADHM O=C([O-])N[C@H]1C[C@H](NC2(c3ccccc3)CC2)c2ccccc21 ZINC000834159267 605808096 /nfs/dbraw/zinc/80/80/96/605808096.db2.gz OOIRUGLMAMPFBY-IRXDYDNUSA-N -1 3 308.381 3.719 20 0 DHADHM C[C@H](CCN[C@H](C)c1nc(-c2ccccc2)cs1)NC(=O)[O-] ZINC000833805581 605848305 /nfs/dbraw/zinc/84/83/05/605848305.db2.gz RGCHTQAXJDWUGN-VXGBXAGGSA-N -1 3 319.430 3.507 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1cc(-c2nnn[n-]2)cs1 ZINC000819709664 606301696 /nfs/dbraw/zinc/30/16/96/606301696.db2.gz OAOMJLDNLXOQGV-BQYQJAHWSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1cc(-c2nn[n-]n2)cs1 ZINC000819709664 606301697 /nfs/dbraw/zinc/30/16/97/606301697.db2.gz OAOMJLDNLXOQGV-BQYQJAHWSA-N -1 3 305.366 3.647 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822192102 606431291 /nfs/dbraw/zinc/43/12/91/606431291.db2.gz ZAICRSARKHADIV-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822202392 606440687 /nfs/dbraw/zinc/44/06/87/606440687.db2.gz YAWNNSXVKIORGC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822202392 606440689 /nfs/dbraw/zinc/44/06/89/606440689.db2.gz YAWNNSXVKIORGC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Fc1ccc(N[C@@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822779618 606446198 /nfs/dbraw/zinc/44/61/98/606446198.db2.gz YUHNHRRFLVNGPM-INIZCTEOSA-N -1 3 309.348 3.569 20 0 DHADHM Fc1ccc(N[C@@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822779618 606446200 /nfs/dbraw/zinc/44/62/00/606446200.db2.gz YUHNHRRFLVNGPM-INIZCTEOSA-N -1 3 309.348 3.569 20 0 DHADHM Clc1cc(Cl)cc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822568841 606636482 /nfs/dbraw/zinc/63/64/82/606636482.db2.gz YWWWPQNMDZWNRI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cc(Cl)cc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822568841 606636483 /nfs/dbraw/zinc/63/64/83/606636483.db2.gz YWWWPQNMDZWNRI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000822351541 606643662 /nfs/dbraw/zinc/64/36/62/606643662.db2.gz NZDBTHUNJOKIQK-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000822351541 606643663 /nfs/dbraw/zinc/64/36/63/606643663.db2.gz NZDBTHUNJOKIQK-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C)c1 ZINC000822288923 606643763 /nfs/dbraw/zinc/64/37/63/606643763.db2.gz NHPJEBKQUNCHRJ-HNNXBMFYSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C)c1 ZINC000822288923 606643764 /nfs/dbraw/zinc/64/37/64/606643764.db2.gz NHPJEBKQUNCHRJ-HNNXBMFYSA-N -1 3 322.416 3.769 20 0 DHADHM COc1cccc([C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858891 607012343 /nfs/dbraw/zinc/01/23/43/607012343.db2.gz HZMMWWHHEPIXBQ-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858891 607012344 /nfs/dbraw/zinc/01/23/44/607012344.db2.gz HZMMWWHHEPIXBQ-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM CCCC(CCC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825242445 607801185 /nfs/dbraw/zinc/80/11/85/607801185.db2.gz RGNQEFGUSXAOMD-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM CCCC(CCC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825242445 607801186 /nfs/dbraw/zinc/80/11/86/607801186.db2.gz RGNQEFGUSXAOMD-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000824753951 607844624 /nfs/dbraw/zinc/84/46/24/607844624.db2.gz GSFVDJWDYKMCLU-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000824753951 607844625 /nfs/dbraw/zinc/84/46/25/607844625.db2.gz GSFVDJWDYKMCLU-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM O=C1CCCCC[C@@H]1Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826480146 607845908 /nfs/dbraw/zinc/84/59/08/607845908.db2.gz RWJOOHQDCXSLRK-ZDUSSCGKSA-N -1 3 322.821 3.514 20 0 DHADHM O=C1CCCCC[C@@H]1Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826480146 607845909 /nfs/dbraw/zinc/84/59/09/607845909.db2.gz RWJOOHQDCXSLRK-ZDUSSCGKSA-N -1 3 322.821 3.514 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826374605 608404791 /nfs/dbraw/zinc/40/47/91/608404791.db2.gz FNARFGXETUJYGF-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826374605 608404792 /nfs/dbraw/zinc/40/47/92/608404792.db2.gz FNARFGXETUJYGF-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Cc1ccc(Cl)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826288671 608450163 /nfs/dbraw/zinc/45/01/63/608450163.db2.gz RJAQGEKSAMOMEX-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(Cl)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826288671 608450165 /nfs/dbraw/zinc/45/01/65/608450165.db2.gz RJAQGEKSAMOMEX-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826289064 608479253 /nfs/dbraw/zinc/47/92/53/608479253.db2.gz JCUBVTUVOOFNIZ-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826289064 608479255 /nfs/dbraw/zinc/47/92/55/608479255.db2.gz JCUBVTUVOOFNIZ-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CC(C)c1ccc([C@@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000824348072 608767811 /nfs/dbraw/zinc/76/78/11/608767811.db2.gz YQRULVIKQOYTIL-GFCCVEGCSA-N -1 3 308.389 3.558 20 0 DHADHM CC(C)c1ccc([C@@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000824348072 608767813 /nfs/dbraw/zinc/76/78/13/608767813.db2.gz YQRULVIKQOYTIL-GFCCVEGCSA-N -1 3 308.389 3.558 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663062 609183712 /nfs/dbraw/zinc/18/37/12/609183712.db2.gz VOKTYHJPSBCJDV-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824663062 609183714 /nfs/dbraw/zinc/18/37/14/609183714.db2.gz VOKTYHJPSBCJDV-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826288674 609184194 /nfs/dbraw/zinc/18/41/94/609184194.db2.gz RJKZKWUMYHQGEU-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826288674 609184196 /nfs/dbraw/zinc/18/41/96/609184196.db2.gz RJKZKWUMYHQGEU-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1F ZINC000826271144 609251966 /nfs/dbraw/zinc/25/19/66/609251966.db2.gz FLVFGTNDTBNITP-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1F ZINC000826271144 609251968 /nfs/dbraw/zinc/25/19/68/609251968.db2.gz FLVFGTNDTBNITP-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826291815 609350328 /nfs/dbraw/zinc/35/03/28/609350328.db2.gz XCNHVCDBYBKIBT-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826291815 609350330 /nfs/dbraw/zinc/35/03/30/609350330.db2.gz XCNHVCDBYBKIBT-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cc(F)ccc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826268951 609488723 /nfs/dbraw/zinc/48/87/23/609488723.db2.gz UWENVQFCOKBZTJ-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cc(F)ccc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826268951 609488726 /nfs/dbraw/zinc/48/87/26/609488726.db2.gz UWENVQFCOKBZTJ-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccnc(N[C@@H]2CC[C@@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826312687 609579324 /nfs/dbraw/zinc/57/93/24/609579324.db2.gz LOYHJNAYUHZUNN-IAQYHMDHSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccnc(N[C@@H]2CC[C@@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826312687 609579327 /nfs/dbraw/zinc/57/93/27/609579327.db2.gz LOYHJNAYUHZUNN-IAQYHMDHSA-N -1 3 320.400 3.621 20 0 DHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1 ZINC000180169538 1013057443 /nfs/dbraw/zinc/05/74/43/1013057443.db2.gz XDOMSOIGVQLXBC-UHFFFAOYSA-N -1 3 322.405 3.709 20 0 DHADHM Cc1cccnc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826308738 947885521 /nfs/dbraw/zinc/88/55/21/947885521.db2.gz NAAHARNPACNBPX-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1cccnc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826308738 947885530 /nfs/dbraw/zinc/88/55/30/947885530.db2.gz NAAHARNPACNBPX-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1ccnc(N[C@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826312192 947905069 /nfs/dbraw/zinc/90/50/69/947905069.db2.gz XSXSQWCJCKIBIG-MRXNPFEDSA-N -1 3 320.400 3.523 20 0 DHADHM Cc1ccnc(N[C@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826312192 947905074 /nfs/dbraw/zinc/90/50/74/947905074.db2.gz XSXSQWCJCKIBIG-MRXNPFEDSA-N -1 3 320.400 3.523 20 0 DHADHM Cc1cnc([C@@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826318165 947931294 /nfs/dbraw/zinc/93/12/94/947931294.db2.gz XQWWOANDWLLSCC-MRVPVSSYSA-N -1 3 321.793 3.670 20 0 DHADHM Cc1cnc([C@@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826318165 947931296 /nfs/dbraw/zinc/93/12/96/947931296.db2.gz XQWWOANDWLLSCC-MRVPVSSYSA-N -1 3 321.793 3.670 20 0 DHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC[C@@H](C)C1 ZINC001576151501 949220405 /nfs/dbraw/zinc/22/04/05/949220405.db2.gz FXTWLQAWIMJSOI-OUAUKWLOSA-N -1 3 320.828 3.542 20 0 DHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC[C@@H](C)C1 ZINC001576151501 949220429 /nfs/dbraw/zinc/22/04/29/949220429.db2.gz FXTWLQAWIMJSOI-OUAUKWLOSA-N -1 3 320.828 3.542 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)s1 ZINC000565107166 953612019 /nfs/dbraw/zinc/61/20/19/953612019.db2.gz WHKMMSPKCWJRJV-JTQLQIEISA-N -1 3 323.364 3.714 20 0 DHADHM Cc1ccsc1CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615137264 1032062494 /nfs/dbraw/zinc/06/24/94/1032062494.db2.gz DEIACIGSXHMJBG-UHFFFAOYSA-N -1 3 315.398 3.600 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2cc(F)c(F)c(F)c2)c2ccccc21 ZINC001594899134 954603537 /nfs/dbraw/zinc/60/35/37/954603537.db2.gz AQQIJFZBPYSLOV-WFASDCNBSA-N -1 3 321.298 3.507 20 0 DHADHM Cc1cc(C)cc(CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000901621008 956380804 /nfs/dbraw/zinc/38/08/04/956380804.db2.gz CFFHUCANAIISKG-LJQANCHMSA-N -1 3 309.409 3.530 20 0 DHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(SC)cc1OC ZINC000518194899 1013154370 /nfs/dbraw/zinc/15/43/70/1013154370.db2.gz KFXBFTURQOOWCW-GFCCVEGCSA-N -1 3 317.476 3.738 20 0 DHADHM O=C([O-])c1csc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000095004633 958326973 /nfs/dbraw/zinc/32/69/73/958326973.db2.gz XQQYNTHQAYXNNV-CYBMUJFWSA-N -1 3 323.414 3.912 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162570175 959217201 /nfs/dbraw/zinc/21/72/01/959217201.db2.gz CUHHIMWZWXQNNB-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC000340033670 1013212487 /nfs/dbraw/zinc/21/24/87/1013212487.db2.gz LPAYIFDWNAOCCE-NSHDSACASA-N -1 3 319.763 3.814 20 0 DHADHM Cc1cccc([C@@H](NCc2cnc3c(F)cccc3c2)C(=O)[O-])c1 ZINC001574395159 961207962 /nfs/dbraw/zinc/20/79/62/961207962.db2.gz UOLDWFLKPYRMRX-GOSISDBHSA-N -1 3 324.355 3.598 20 0 DHADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCC[C@@H]1C ZINC000340130964 1013332752 /nfs/dbraw/zinc/33/27/52/1013332752.db2.gz MBONIOZSDFZDTI-SUMWQHHRSA-N -1 3 312.413 3.569 20 0 DHADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCC[C@H]1C ZINC000340130961 1013334662 /nfs/dbraw/zinc/33/46/62/1013334662.db2.gz MBONIOZSDFZDTI-DYVFJYSZSA-N -1 3 312.413 3.569 20 0 DHADHM C[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652366931 1013383781 /nfs/dbraw/zinc/38/37/81/1013383781.db2.gz ZTPMGZUKZKTFRZ-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM COCCNc1cccc(F)c1Nc1cccc(Cl)c1[O-] ZINC001210223574 1013714955 /nfs/dbraw/zinc/71/49/55/1013714955.db2.gz SSOUTMDDMNDZJE-UHFFFAOYSA-N -1 3 310.756 3.987 20 0 DHADHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc([O-])ccc1Cl ZINC000340421478 1013753171 /nfs/dbraw/zinc/75/31/71/1013753171.db2.gz YHMQTFKLEMOLLL-YGRLFVJLSA-N -1 3 323.726 3.610 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2ccc(SC)o2)c1F ZINC000340453010 1013809279 /nfs/dbraw/zinc/80/92/79/1013809279.db2.gz QHVVCJIZOVPBGU-UHFFFAOYSA-N -1 3 313.325 3.931 20 0 DHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000330846796 1013845164 /nfs/dbraw/zinc/84/51/64/1013845164.db2.gz YNRIEZBJMYOJSM-ABAIWWIYSA-N -1 3 311.809 3.825 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1[O-] ZINC000331348928 1013875786 /nfs/dbraw/zinc/87/57/86/1013875786.db2.gz NCWPQIPPGDXAQF-CXAGYDPISA-N -1 3 323.392 3.613 20 0 DHADHM [O-]c1cccc2sc(Nc3cccnc3OC(F)F)nc21 ZINC001210622699 1013979949 /nfs/dbraw/zinc/97/99/49/1013979949.db2.gz QQAINAUNDHFQFQ-UHFFFAOYSA-N -1 3 309.297 3.742 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592382 1013997969 /nfs/dbraw/zinc/99/79/69/1013997969.db2.gz CPPNGUXBMTWBSD-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592382 1013997975 /nfs/dbraw/zinc/99/79/75/1013997975.db2.gz CPPNGUXBMTWBSD-LLVKDONJSA-N -1 3 318.345 3.581 20 0 DHADHM O=S(=O)([N-]c1cccnc1Cl)c1cccc2ccccc21 ZINC000083955056 1014000153 /nfs/dbraw/zinc/00/01/53/1014000153.db2.gz IGLVJMWIPGNOJX-UHFFFAOYSA-N -1 3 318.785 3.689 20 0 DHADHM C[C@H](CCN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000320731292 970707200 /nfs/dbraw/zinc/70/72/00/970707200.db2.gz MGLXDJCWLYZWFT-DNVCBOLYSA-N -1 3 309.409 3.864 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1-c1cccs1 ZINC000155635219 1014070927 /nfs/dbraw/zinc/07/09/27/1014070927.db2.gz MELBVVMFSXLBIN-HNNXBMFYSA-N -1 3 318.398 3.995 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1-c1cccs1 ZINC000155635219 1014070930 /nfs/dbraw/zinc/07/09/30/1014070930.db2.gz MELBVVMFSXLBIN-HNNXBMFYSA-N -1 3 318.398 3.995 20 0 DHADHM Cc1cc(Nc2cccc([O-])c2Cl)n(-c2cccnc2)n1 ZINC001210853833 1014072155 /nfs/dbraw/zinc/07/21/55/1014072155.db2.gz MAIOROAVIIOHPE-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM O=C(CCOc1cccc(Cl)c1Cl)[N-]OC/C=C/Cl ZINC000794292536 1025248577 /nfs/dbraw/zinc/24/85/77/1025248577.db2.gz ICCCAZRRILODSL-QHHAFSJGSA-N -1 3 324.591 3.563 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000155710079 1014099352 /nfs/dbraw/zinc/09/93/52/1014099352.db2.gz OCWAHSAIEOGEJC-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000155710079 1014099356 /nfs/dbraw/zinc/09/93/56/1014099356.db2.gz OCWAHSAIEOGEJC-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM CC[C@@H]1CCCC[C@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000401539578 973370268 /nfs/dbraw/zinc/37/02/68/973370268.db2.gz ZXOFVHBRDRYPHG-VKJFTORMSA-N -1 3 301.430 3.887 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000087679100 1014173127 /nfs/dbraw/zinc/17/31/27/1014173127.db2.gz FIBGPRZCLULNDJ-VXGBXAGGSA-N -1 3 312.479 3.810 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000517575610 974318421 /nfs/dbraw/zinc/31/84/21/974318421.db2.gz JELHDAQORQAJRO-IBGZPJMESA-N -1 3 324.424 3.525 20 0 DHADHM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1C ZINC000518990504 974326745 /nfs/dbraw/zinc/32/67/45/974326745.db2.gz JNNQBBMTDZAOJV-GOSISDBHSA-N -1 3 310.397 3.734 20 0 DHADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(C)C ZINC000564804586 974553606 /nfs/dbraw/zinc/55/36/06/974553606.db2.gz YQFPAEDNGIRQCX-HZPDHXFCSA-N -1 3 323.433 3.702 20 0 DHADHM O=C([O-])c1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)nc1 ZINC000568060916 974656975 /nfs/dbraw/zinc/65/69/75/974656975.db2.gz SYWXLYQNFVOADC-IBGZPJMESA-N -1 3 322.408 3.822 20 0 DHADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCCC1 ZINC000568521847 974673420 /nfs/dbraw/zinc/67/34/20/974673420.db2.gz NDWMBAQWMXRKSF-UHFFFAOYSA-N -1 3 314.385 3.804 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)c(C)s1 ZINC000189741477 1014210121 /nfs/dbraw/zinc/21/01/21/1014210121.db2.gz SKMUBPVGQUPHFP-UHFFFAOYSA-N -1 3 307.849 3.881 20 0 DHADHM [O-]c1cc(F)cnc1Nc1ccc(C(F)(F)F)nc1Cl ZINC001211199141 1014212886 /nfs/dbraw/zinc/21/28/86/1014212886.db2.gz CERHDSQDHQBVSZ-UHFFFAOYSA-N -1 3 307.634 3.737 20 0 DHADHM CN(CCc1cccs1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000572414579 974747904 /nfs/dbraw/zinc/74/79/04/974747904.db2.gz CSQRPGTYGSKGOE-UHFFFAOYSA-N -1 3 309.818 3.774 20 0 DHADHM CCc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C)c1[O-] ZINC000580633509 1014263037 /nfs/dbraw/zinc/26/30/37/1014263037.db2.gz BJCLBTKVAKDFTK-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM Cc1cccc(CCCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000652469972 975543128 /nfs/dbraw/zinc/54/31/28/975543128.db2.gz KCGYOXBGKDBIRF-IBGZPJMESA-N -1 3 309.409 3.612 20 0 DHADHM CC(C)C[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758764 975686313 /nfs/dbraw/zinc/68/63/13/975686313.db2.gz OCEXNVKIXXOBER-CYBMUJFWSA-N -1 3 316.228 3.851 20 0 DHADHM CC(C)c1[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001591912390 976344346 /nfs/dbraw/zinc/34/43/46/976344346.db2.gz LWEBGGFQMHGZFI-KGLIPLIRSA-N -1 3 304.434 3.848 20 0 DHADHM CC(C)c1[nH]c(CNCc2coc3ccccc23)cc1C(=O)[O-] ZINC001591918202 976381663 /nfs/dbraw/zinc/38/16/63/976381663.db2.gz LVRKVFFOZALMED-UHFFFAOYSA-N -1 3 312.369 3.872 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1F ZINC000756332237 978697705 /nfs/dbraw/zinc/69/77/05/978697705.db2.gz GNQFPVDYTKIXIY-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000859803478 979635586 /nfs/dbraw/zinc/63/55/86/979635586.db2.gz BTMODHUGKCXXSN-HNNXBMFYSA-N -1 3 303.358 3.570 20 0 DHADHM CCc1ccc(-c2nc(CC3CCC(OC)CC3)no2)c([O-])c1 ZINC000581217549 1014620634 /nfs/dbraw/zinc/62/06/34/1014620634.db2.gz LJUTYCDVFJNASW-UHFFFAOYSA-N -1 3 316.401 3.752 20 0 DHADHM CC[C@H](Cc1ccccc1)N(CC)Cc1ncc(C(=O)[O-])s1 ZINC001595213823 980010645 /nfs/dbraw/zinc/01/06/45/980010645.db2.gz YXZJHEXVEVRRPJ-CQSZACIVSA-N -1 3 318.442 3.685 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872166050 980060823 /nfs/dbraw/zinc/06/08/23/980060823.db2.gz BFPFBLVXTPWKMU-NOZJJQNGSA-N -1 3 305.296 3.622 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H](C)CC(C)(C)C)CC2 ZINC000872167609 980068479 /nfs/dbraw/zinc/06/84/79/980068479.db2.gz LZBYOPRSGATXKZ-ZDUSSCGKSA-N -1 3 319.445 3.824 20 0 DHADHM CC[C@H](N[C@@H](CC(C)C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001595281595 980336442 /nfs/dbraw/zinc/33/64/42/980336442.db2.gz RKHAIVYHTRYNFS-IUCAKERBSA-N -1 3 324.368 3.702 20 0 DHADHM CC(C)(C)CCN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901587094 980392834 /nfs/dbraw/zinc/39/28/34/980392834.db2.gz JDWNUZLUAGNGIT-UHFFFAOYSA-N -1 3 300.402 3.660 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067145435 1014660418 /nfs/dbraw/zinc/66/04/18/1014660418.db2.gz SNWMEOOYEXTHFH-UHFFFAOYSA-N -1 3 317.772 3.956 20 0 DHADHM CC[C@H](NCc1csc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000902074212 980721911 /nfs/dbraw/zinc/72/19/11/980721911.db2.gz UWYMSJLHYMAEPI-AWEZNQCLSA-N -1 3 305.399 3.696 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000128676866 1014686339 /nfs/dbraw/zinc/68/63/39/1014686339.db2.gz OGDNYXVQOYLASR-KOLCDFICSA-N -1 3 307.271 3.552 20 0 DHADHM O=C([O-])c1cc(CN[C@H]2CCCc3ccc(F)cc32)cs1 ZINC000902396177 980869574 /nfs/dbraw/zinc/86/95/74/980869574.db2.gz GGCXMRWVOQCKKT-AWEZNQCLSA-N -1 3 305.374 3.753 20 0 DHADHM CCC1(CC)CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CCS1 ZINC001595376070 980902182 /nfs/dbraw/zinc/90/21/82/980902182.db2.gz LPMMPUJMJXHLAK-UHFFFAOYSA-N -1 3 322.474 3.698 20 0 DHADHM O=C([O-])c1csc(CNCc2ccc(C(F)(F)F)s2)c1 ZINC000902504120 980912951 /nfs/dbraw/zinc/91/29/51/980912951.db2.gz ZIYFQYBXLDOHBZ-UHFFFAOYSA-N -1 3 321.345 3.816 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902528190 980922770 /nfs/dbraw/zinc/92/27/70/980922770.db2.gz OGLJDNWSSNONEH-AOOOYVTPSA-N -1 3 312.207 3.520 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902530577 980923736 /nfs/dbraw/zinc/92/37/36/980923736.db2.gz MITDIPITOQUXEB-BTDICHCPSA-N -1 3 317.307 3.540 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1C(F)(F)F ZINC000128694203 1014694029 /nfs/dbraw/zinc/69/40/29/1014694029.db2.gz WGCUFENMEKIDKC-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CCC[C@@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001595601208 981587488 /nfs/dbraw/zinc/58/74/88/981587488.db2.gz XSVQYJOQSXHUPX-CABCVRRESA-N -1 3 313.401 3.547 20 0 DHADHM CCOc1cc(CN2CC[C@@H](C)[C@H](F)C2)cc(Cl)c1[O-] ZINC000656531894 1014809196 /nfs/dbraw/zinc/80/91/96/1014809196.db2.gz PKKHUPKRCUSGEV-ZWNOBZJWSA-N -1 3 301.789 3.624 20 0 DHADHM CCCCCCN(Cc1ccco1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001595709191 982291651 /nfs/dbraw/zinc/29/16/51/982291651.db2.gz VFRRLLIARUXOJL-MRXNPFEDSA-N -1 3 321.417 3.809 20 0 DHADHM CCCCN(Cc1oc(Br)cc1C(=O)[O-])C1CC1 ZINC001595747959 982416526 /nfs/dbraw/zinc/41/65/26/982416526.db2.gz NNCCXRUEPJZFNS-UHFFFAOYSA-N -1 3 316.195 3.505 20 0 DHADHM C[C@@H](NC1CC(CC(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC001119539553 982985276 /nfs/dbraw/zinc/98/52/76/982985276.db2.gz TZFLTEGHEWWQGZ-LKSINWNRSA-N -1 3 316.426 3.714 20 0 DHADHM CCCOc1ccc(CNCc2ccsc2C(=O)[O-])cc1 ZINC001595961377 983159599 /nfs/dbraw/zinc/15/95/99/983159599.db2.gz YZLCIERGTFQEEV-UHFFFAOYSA-N -1 3 305.399 3.525 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@@H](C)c1ccc(F)cc1 ZINC001596354200 983815175 /nfs/dbraw/zinc/81/51/75/983815175.db2.gz CQSJUZMRPMLRDW-LBPRGKRZSA-N -1 3 318.392 3.754 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])n1C)Cc1ccc2ccccc2c1 ZINC001596364413 983845696 /nfs/dbraw/zinc/84/56/96/983845696.db2.gz DVCCPYIDJWWTDB-UHFFFAOYSA-N -1 3 322.408 3.899 20 0 DHADHM O=C(CCCc1ccc(F)c(F)c1)Nc1cccc([O-])c1F ZINC000129385807 1014982927 /nfs/dbraw/zinc/98/29/27/1014982927.db2.gz RKWNKSLWHRIPJK-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM C/C(=C\c1ccccc1C(F)(F)F)CN1CC(C)(C(=O)[O-])C1 ZINC001589004100 984961054 /nfs/dbraw/zinc/96/10/54/984961054.db2.gz XHPXHOQBNLJRSF-YRNVUSSQSA-N -1 3 313.319 3.515 20 0 DHADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c2ccccc12 ZINC000129675160 1015091214 /nfs/dbraw/zinc/09/12/14/1015091214.db2.gz IWNXJYPPCPMBOY-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC[C@H](CCF)C1 ZINC000656764303 1015134063 /nfs/dbraw/zinc/13/40/63/1015134063.db2.gz XBVUMQYOSNBSBS-YGRLFVJLSA-N -1 3 317.763 3.676 20 0 DHADHM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000025272850 1015147555 /nfs/dbraw/zinc/14/75/55/1015147555.db2.gz INEZUFNUZKFLPY-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM CCC(C)(C)c1nnc([N-][C@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895555668 1015201819 /nfs/dbraw/zinc/20/18/19/1015201819.db2.gz QDMNNUKWASZSEX-YPMHNXCESA-N -1 3 305.353 3.641 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2c3ccccc3CC[C@H]2F)c1F ZINC000895690505 1015257886 /nfs/dbraw/zinc/25/78/86/1015257886.db2.gz IFCYPZBYYOODTA-PBHICJAKSA-N -1 3 307.315 3.786 20 0 DHADHM CCOc1ccccc1[C@@H](CC)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001597173528 987019296 /nfs/dbraw/zinc/01/92/96/987019296.db2.gz WYAHNVCSUIWFTA-MRXNPFEDSA-N -1 3 316.401 3.661 20 0 DHADHM C[C@@H](C(=O)[O-])N(Cc1cc2ccccc2nc1Cl)C1CCC1 ZINC001589487313 987045528 /nfs/dbraw/zinc/04/55/28/987045528.db2.gz ZISTXXGRXYNKSW-NSHDSACASA-N -1 3 318.804 3.716 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3CC(C)C)nc2)n1 ZINC000413415428 1015275749 /nfs/dbraw/zinc/27/57/49/1015275749.db2.gz WSHNVCQAJKKBEV-UKRRQHHQSA-N -1 3 312.417 3.653 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000096756797 1015309384 /nfs/dbraw/zinc/30/93/84/1015309384.db2.gz QAGSCJGUEOSTKI-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000348689988 1015375194 /nfs/dbraw/zinc/37/51/94/1015375194.db2.gz VPXBEPYUOFVSIE-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2OC)cc1 ZINC001597562325 988306060 /nfs/dbraw/zinc/30/60/60/988306060.db2.gz CPCUVRJCHJZNSI-CYBMUJFWSA-N -1 3 313.397 3.807 20 0 DHADHM CCc1cccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597586220 988401703 /nfs/dbraw/zinc/40/17/03/988401703.db2.gz BELNSEUAHQTGHM-UHFFFAOYSA-N -1 3 303.789 3.890 20 0 DHADHM CCc1cnccc1[C@@H](C)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597637202 988622878 /nfs/dbraw/zinc/62/28/78/988622878.db2.gz ZGPHMYRVDDFODR-LLVKDONJSA-N -1 3 318.804 3.846 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000098127023 1015578588 /nfs/dbraw/zinc/57/85/88/1015578588.db2.gz GWXMGDWONVVSAL-INIZCTEOSA-N -1 3 315.344 3.517 20 0 DHADHM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599718724 991500361 /nfs/dbraw/zinc/50/03/61/991500361.db2.gz UWKRPEHHTMDWQQ-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM CC(C)CC[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591227719 992100743 /nfs/dbraw/zinc/10/07/43/992100743.db2.gz KGQNHSGCQOSLIN-AWEZNQCLSA-N -1 3 315.417 3.662 20 0 DHADHM Cc1csc(C(=O)[N-]c2nnc(C(C)C)s2)c1Cl ZINC000276831656 1015692323 /nfs/dbraw/zinc/69/23/23/1015692323.db2.gz NZCNRXSMJPNBOH-UHFFFAOYSA-N -1 3 301.824 3.937 20 0 DHADHM CC(C)Cc1ccccc1CNCc1ccsc1C(=O)[O-] ZINC001591491037 992627176 /nfs/dbraw/zinc/62/71/76/992627176.db2.gz ULGVZUKHISRJED-UHFFFAOYSA-N -1 3 303.427 3.935 20 0 DHADHM CN(Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598518548 992649259 /nfs/dbraw/zinc/64/92/59/992649259.db2.gz KRWSSJAEFLHHFK-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc2ccccc2c1 ZINC001598524902 992707354 /nfs/dbraw/zinc/70/73/54/992707354.db2.gz ZEVBDYUBHXZNIL-UHFFFAOYSA-N -1 3 308.381 3.509 20 0 DHADHM CN(Cc1ncc(C(=O)[O-])s1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598538346 992868201 /nfs/dbraw/zinc/86/82/01/992868201.db2.gz QEYGVORKPDTSDK-KGLIPLIRSA-N -1 3 316.426 3.609 20 0 DHADHM CCCc1nc(C)c(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000294139681 1015819963 /nfs/dbraw/zinc/81/99/63/1015819963.db2.gz KUZQHBUWOJCZAY-UHFFFAOYSA-N -1 3 324.380 3.724 20 0 DHADHM CSCCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346336067 1015832481 /nfs/dbraw/zinc/83/24/81/1015832481.db2.gz QBOFTRRKPXSJHT-UHFFFAOYSA-N -1 3 313.438 3.504 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC001593190870 994128644 /nfs/dbraw/zinc/12/86/44/994128644.db2.gz XSXSFEFNVQRPFV-ZANVPECISA-N -1 3 312.291 3.510 20 0 DHADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000341893351 1015837283 /nfs/dbraw/zinc/83/72/83/1015837283.db2.gz VITFALZZGFEWQL-JTQLQIEISA-N -1 3 324.302 3.938 20 0 DHADHM C[C@H](N[C@H](c1cccs1)C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593210825 994255573 /nfs/dbraw/zinc/25/55/73/994255573.db2.gz SATXILYYULFQKE-BONVTDFDSA-N -1 3 302.399 3.643 20 0 DHADHM C[C@@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cncs1 ZINC001593220388 994311367 /nfs/dbraw/zinc/31/13/67/994311367.db2.gz RYRLTRLHNDSBJS-YGRLFVJLSA-N -1 3 302.399 3.570 20 0 DHADHM COc1cccc([C@@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC001599660308 994645618 /nfs/dbraw/zinc/64/56/18/994645618.db2.gz SWPDHKLOHUPSOW-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@@H](c1ccc2c(c1)CCC2)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001593700118 996174053 /nfs/dbraw/zinc/17/40/53/996174053.db2.gz VRRBUWMMGSNJBM-AWEZNQCLSA-N -1 3 321.420 3.993 20 0 DHADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C2CCCC2)C1 ZINC001593732769 996314857 /nfs/dbraw/zinc/31/48/57/996314857.db2.gz YXGCCMNWMDGAOA-WCQYABFASA-N -1 3 308.447 3.805 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000107640029 1032136611 /nfs/dbraw/zinc/13/66/11/1032136611.db2.gz KCTMDVZDRKIOCH-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM COC[C@H](N[C@H](C)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC001599174251 996810911 /nfs/dbraw/zinc/81/09/11/996810911.db2.gz UUVYPNFXSWHVSN-KDOFPFPSSA-N -1 3 313.397 3.732 20 0 DHADHM CC1(C)CN([C@@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC001593940090 996942621 /nfs/dbraw/zinc/94/26/21/996942621.db2.gz DUZKLUSDJPTIEH-QGZVFWFLSA-N -1 3 313.372 3.745 20 0 DHADHM COc1cc(C)ccc1CN[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001599393098 997074478 /nfs/dbraw/zinc/07/44/78/997074478.db2.gz DCRRDWYNUCUMPC-LLVKDONJSA-N -1 3 305.399 3.614 20 0 DHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000277325344 1016200922 /nfs/dbraw/zinc/20/09/22/1016200922.db2.gz CMDFAPILVWNUKZ-KBPBESRZSA-N -1 3 313.850 3.840 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccsc1C(=O)[O-] ZINC001594174224 998668810 /nfs/dbraw/zinc/66/88/10/998668810.db2.gz RETWNQMSUYWFNL-PSASIEDQSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594175422 998672419 /nfs/dbraw/zinc/67/24/19/998672419.db2.gz XHDMSVJLLMKZSL-FXAINCCUSA-N -1 3 321.726 3.738 20 0 DHADHM COc1ccc(Cl)cc1COc1ccc2c([O-])coc2c1 ZINC000057524065 1016354504 /nfs/dbraw/zinc/35/45/04/1016354504.db2.gz YSSKRFVHEURIFC-UHFFFAOYSA-N -1 3 304.729 3.503 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c([O-])c1C ZINC000622412423 1016397105 /nfs/dbraw/zinc/39/71/05/1016397105.db2.gz JSAWLLSLFCEDRT-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM CSc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000281251633 1016413827 /nfs/dbraw/zinc/41/38/27/1016413827.db2.gz DQJAZENTQZGXBD-NWDGAFQWSA-N -1 3 303.431 3.624 20 0 DHADHM CCCCn1c(C)c(C)nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000346612661 1016478866 /nfs/dbraw/zinc/47/88/66/1016478866.db2.gz ZXNCWXDRBHPAJI-CYBMUJFWSA-N -1 3 320.462 3.957 20 0 DHADHM CC(C)(C)C(C)(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622616640 1016499222 /nfs/dbraw/zinc/49/92/22/1016499222.db2.gz IKVYIEAZZRLLHU-UHFFFAOYSA-N -1 3 303.324 3.966 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCC2CCCCC2)n1 ZINC000622739197 1016550149 /nfs/dbraw/zinc/55/01/49/1016550149.db2.gz YLKWJIDZKZFFHS-UHFFFAOYSA-N -1 3 319.449 3.593 20 0 DHADHM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623030442 1016839435 /nfs/dbraw/zinc/83/94/35/1016839435.db2.gz OXPMRBWWBMVTQS-VIFPVBQESA-N -1 3 301.308 3.814 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1Br ZINC000174878273 1016844688 /nfs/dbraw/zinc/84/46/88/1016844688.db2.gz CTUHAAZCELUVBJ-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1Cl ZINC000522968102 1016913532 /nfs/dbraw/zinc/91/35/32/1016913532.db2.gz AFWOEGZWXIFFBM-SNVBAGLBSA-N -1 3 320.241 3.689 20 0 DHADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522968137 1016913656 /nfs/dbraw/zinc/91/36/56/1016913656.db2.gz BQVBHJFBHNGFEG-SECBINFHSA-N -1 3 309.884 3.895 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc1[O-] ZINC000665579798 1016919488 /nfs/dbraw/zinc/91/94/88/1016919488.db2.gz UAFXJPMMOWGAOC-KRWDZBQOSA-N -1 3 315.413 3.636 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000614732277 1016992505 /nfs/dbraw/zinc/99/25/05/1016992505.db2.gz YFRKVWMFJVBRRH-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C4CCC4)cc3)n[n-]2)o1 ZINC000362004210 1032189575 /nfs/dbraw/zinc/18/95/75/1032189575.db2.gz XXOSDMNYXGZGHU-UHFFFAOYSA-N -1 3 322.368 3.893 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)cc1F ZINC000322769285 1032235497 /nfs/dbraw/zinc/23/54/97/1032235497.db2.gz BOQBRRRZWSUIKJ-BPNCWPANSA-N -1 3 317.364 3.565 20 0 DHADHM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000295008676 1032244200 /nfs/dbraw/zinc/24/42/00/1032244200.db2.gz PLAOBIXSXDAUBO-LBPRGKRZSA-N -1 3 321.726 3.897 20 0 DHADHM [O-]c1ccc(Br)c(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001238305931 1017070657 /nfs/dbraw/zinc/07/06/57/1017070657.db2.gz SKLLORLXBRQSDW-AOOOYVTPSA-N -1 3 314.198 3.526 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccc(C)s2)c1 ZINC001147204329 1032288865 /nfs/dbraw/zinc/28/88/65/1032288865.db2.gz LUOIKCQOOZIZHX-SNVBAGLBSA-N -1 3 321.467 3.845 20 0 DHADHM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1ccccc1[O-] ZINC001148379233 1032392276 /nfs/dbraw/zinc/39/22/76/1032392276.db2.gz QJYZZCGVVCHOIC-INIZCTEOSA-N -1 3 303.308 3.552 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(OC(C)C)cc1 ZINC001148399970 1032396204 /nfs/dbraw/zinc/39/62/04/1032396204.db2.gz PYDRSNXTMWQZAS-UHFFFAOYSA-N -1 3 313.353 3.634 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c([O-])c1 ZINC001148504360 1032409368 /nfs/dbraw/zinc/40/93/68/1032409368.db2.gz MDPCYWBUKWKVEZ-MRXNPFEDSA-N -1 3 317.335 3.956 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)c3ccccc32)ccc1[O-] ZINC001148669078 1032431660 /nfs/dbraw/zinc/43/16/60/1032431660.db2.gz PRNUDBQKCXYHFW-APPDUMDISA-N -1 3 309.365 3.573 20 0 DHADHM CC(=O)c1cc(C(=O)NC(C)(C)c2ccccc2C)ccc1[O-] ZINC001148671422 1032431846 /nfs/dbraw/zinc/43/18/46/1032431846.db2.gz VBORLMQEIAEOLW-UHFFFAOYSA-N -1 3 311.381 3.568 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc(F)cc3cccnc32)ccc1[O-] ZINC001148665066 1032432047 /nfs/dbraw/zinc/43/20/47/1032432047.db2.gz WJVJXXSXFGFFII-UHFFFAOYSA-N -1 3 324.311 3.534 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H](C)c2cccc(C)c2C)ccc1[O-] ZINC001148670709 1032432498 /nfs/dbraw/zinc/43/24/98/1032432498.db2.gz MGDYKHCKJRJQJI-CYBMUJFWSA-N -1 3 311.381 3.703 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c([O-])c1 ZINC001148811710 1032446271 /nfs/dbraw/zinc/44/62/71/1032446271.db2.gz MQZPRQITDRGJIA-AWEZNQCLSA-N -1 3 317.429 3.689 20 0 DHADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000476579995 1032452171 /nfs/dbraw/zinc/45/21/71/1032452171.db2.gz WHMMCPXFQADQOP-RDBSUJKOSA-N -1 3 307.409 3.747 20 0 DHADHM COc1ccc(CN(C(=O)c2c(C)cccc2[O-])C2CC2)cc1 ZINC000623515333 1017085487 /nfs/dbraw/zinc/08/54/87/1017085487.db2.gz YGTVIEXZNSIFHJ-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc4cnccc43)no2)c1 ZINC000350571181 1017301504 /nfs/dbraw/zinc/30/15/04/1017301504.db2.gz WXXVGTSYDNQQJY-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000093052089 1032519829 /nfs/dbraw/zinc/51/98/29/1032519829.db2.gz BKBBUNWWQNWJMS-HNNXBMFYSA-N -1 3 310.319 3.831 20 0 DHADHM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000049457940 1011914811 /nfs/dbraw/zinc/91/48/11/1011914811.db2.gz SFFJFUOTURMXSJ-NSHDSACASA-N -1 3 309.350 3.597 20 0 DHADHM CCc1ccc(-c2nc([C@H](C)c3nccs3)no2)c([O-])c1 ZINC000424352573 1011995398 /nfs/dbraw/zinc/99/53/98/1011995398.db2.gz GMPGFKATKRFRII-VIFPVBQESA-N -1 3 301.371 3.613 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC[C@@H](F)C1 ZINC000424743362 1012115152 /nfs/dbraw/zinc/11/51/52/1012115152.db2.gz WGNDBNDEOSKGQF-RKDXNWHRSA-N -1 3 305.271 3.878 20 0 DHADHM CC(C)(C)c1ncc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000062838920 1012137176 /nfs/dbraw/zinc/13/71/76/1012137176.db2.gz KSRHYVBIENBSPA-LLVKDONJSA-N -1 3 324.471 3.808 20 0 DHADHM CCN(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000065104958 1012355600 /nfs/dbraw/zinc/35/56/00/1012355600.db2.gz OGAIRLAHCAJGJK-UHFFFAOYSA-N -1 3 304.777 3.511 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000109037529 1012405092 /nfs/dbraw/zinc/40/50/92/1012405092.db2.gz FNCRPSKLYFEXGW-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CC[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000514791260 1012438075 /nfs/dbraw/zinc/43/80/75/1012438075.db2.gz KQSLLKKYMZZXLG-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])c(Cl)c1 ZINC000109103815 1012505946 /nfs/dbraw/zinc/50/59/46/1012505946.db2.gz UGTUBQNWKWTCQI-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1CC1CCCC1 ZINC000655361464 1012701792 /nfs/dbraw/zinc/70/17/92/1012701792.db2.gz FDEWLAJYBWSAEP-HNNXBMFYSA-N -1 3 305.393 3.645 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873012 1012851275 /nfs/dbraw/zinc/85/12/75/1012851275.db2.gz YJLXMLMKZOUOAY-TZMCWYRMSA-N -1 3 315.417 3.517 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000232784354 1012945153 /nfs/dbraw/zinc/94/51/53/1012945153.db2.gz KOEIVPDIHAENGF-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3c(c2)CCCC3)[n-]1 ZINC000517509639 1012996210 /nfs/dbraw/zinc/99/62/10/1012996210.db2.gz OIUVYUFNIXPBKV-UHFFFAOYSA-N -1 3 323.318 3.692 20 0 DHADHM Cc1csc([C@@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)n1 ZINC000277771643 1017116926 /nfs/dbraw/zinc/11/69/26/1017116926.db2.gz SWNGQXIRYGLHKO-ZDUSSCGKSA-N -1 3 322.817 3.692 20 0 DHADHM O=C(CCC(=O)c1cccs1)Nc1ccc(Cl)cc1[O-] ZINC000339006877 1032680392 /nfs/dbraw/zinc/68/03/92/1032680392.db2.gz GTNREXIEYYMIHD-UHFFFAOYSA-N -1 3 309.774 3.709 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000444438340 1017484536 /nfs/dbraw/zinc/48/45/36/1017484536.db2.gz OHRQUDQDHJHQEG-UHFFFAOYSA-N -1 3 307.296 3.765 20 0 DHADHM CC1(CC(F)(F)F)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000457090400 1017521862 /nfs/dbraw/zinc/52/18/62/1017521862.db2.gz DURWCHONENTWCP-UHFFFAOYSA-N -1 3 323.314 3.960 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)cc1O ZINC000444649311 1017603647 /nfs/dbraw/zinc/60/36/47/1017603647.db2.gz PPUZPBMWTSSNLQ-UHFFFAOYSA-N -1 3 317.360 3.815 20 0 DHADHM [O-]c1c(F)cc(Nc2c(F)c(F)nc(F)c2Cl)cc1F ZINC001213373787 1017631814 /nfs/dbraw/zinc/63/18/14/1017631814.db2.gz ZAVUEGHFPGFTNV-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2c3c(cccc31)CC2 ZINC000523424300 1017692409 /nfs/dbraw/zinc/69/24/09/1017692409.db2.gz NNVCPBLJCPCKED-UHFFFAOYSA-N -1 3 321.351 3.713 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2cccc(F)c2)C(C)(C)C)n1 ZINC000181059304 1017721838 /nfs/dbraw/zinc/72/18/38/1017721838.db2.gz LBUUOGDKRYXNJG-QGZVFWFLSA-N -1 3 317.408 3.761 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2cc(F)ccc21 ZINC000181168146 1017728223 /nfs/dbraw/zinc/72/82/23/1017728223.db2.gz DGUSQRVKNQPTMF-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 ZINC000665890669 1017738402 /nfs/dbraw/zinc/73/84/02/1017738402.db2.gz IGTWNBYVECZWRY-MRXNPFEDSA-N -1 3 313.422 3.874 20 0 DHADHM CC[C@H](C(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000181726430 1017796025 /nfs/dbraw/zinc/79/60/25/1017796025.db2.gz SWXCQUIXAXBLGJ-ZDUSSCGKSA-N -1 3 303.333 3.672 20 0 DHADHM CCc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C ZINC000182414933 1017907947 /nfs/dbraw/zinc/90/79/47/1017907947.db2.gz MXPUUOVGDUAKMN-UHFFFAOYSA-N -1 3 311.307 3.684 20 0 DHADHM COc1cccc(-c2nc(C(C)(C)Cc3ccccc3)no2)c1[O-] ZINC000445797963 1017982351 /nfs/dbraw/zinc/98/23/51/1017982351.db2.gz DKCYGBXCCLPDQK-UHFFFAOYSA-N -1 3 324.380 3.971 20 0 DHADHM O=c1ccnc(C=Cc2cc(Cl)ccc2Br)[n-]1 ZINC000764441370 1018282470 /nfs/dbraw/zinc/28/24/70/1018282470.db2.gz HIYXMIXYTJOREH-RJRFIUFISA-N -1 3 311.566 3.769 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)c(C)o1 ZINC000446949167 1018303955 /nfs/dbraw/zinc/30/39/55/1018303955.db2.gz TXNFLLICVWMIQL-UHFFFAOYSA-N -1 3 313.806 3.967 20 0 DHADHM COc1ccc(Cl)cc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050924520 1018324903 /nfs/dbraw/zinc/32/49/03/1018324903.db2.gz OIIBOQVAQOGROM-AWEZNQCLSA-N -1 3 311.809 3.568 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c([O-])c1 ZINC000080102781 1018335853 /nfs/dbraw/zinc/33/58/53/1018335853.db2.gz SJUFVTQGENVCSO-IBGZPJMESA-N -1 3 317.429 3.548 20 0 DHADHM CCOc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1F ZINC000447132753 1018339984 /nfs/dbraw/zinc/33/99/84/1018339984.db2.gz KZVKWZMGZWXBMF-UHFFFAOYSA-N -1 3 302.280 3.679 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1C ZINC000052281593 1018355562 /nfs/dbraw/zinc/35/55/62/1018355562.db2.gz FQWPINBGZOIVLA-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM COc1ccccc1[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001127807340 1018415614 /nfs/dbraw/zinc/41/56/14/1018415614.db2.gz QQVZZJBUQBPKLA-JTQLQIEISA-N -1 3 306.745 3.972 20 0 DHADHM Cc1nc(-c2ccccc2[N-]S(=O)(=O)CCC2CC2)cs1 ZINC000526004770 1018439207 /nfs/dbraw/zinc/43/92/07/1018439207.db2.gz HMIDCESDYKCIGX-UHFFFAOYSA-N -1 3 322.455 3.660 20 0 DHADHM C[C@@H](NCc1nc2c(s1)CCCC2)c1cc([O-])cc(F)c1 ZINC000926918841 1032764656 /nfs/dbraw/zinc/76/46/56/1032764656.db2.gz KTMSNNRTLFSBLO-SNVBAGLBSA-N -1 3 306.406 3.717 20 0 DHADHM [O-]c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1 ZINC001212557855 1018462683 /nfs/dbraw/zinc/46/26/83/1018462683.db2.gz DQEOAACMUZOQLV-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM Cc1c(-c2noc(-c3ccc([O-])cn3)n2)cccc1C(F)(F)F ZINC001212558023 1018462816 /nfs/dbraw/zinc/46/28/16/1018462816.db2.gz NMSGONZWUHJORK-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM [O-]c1c(F)cc(Nc2ccc(OC3CCOCC3)cc2)cc1F ZINC001213386826 1018497528 /nfs/dbraw/zinc/49/75/28/1018497528.db2.gz XOOWQBYSGIWJPC-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM CC(C)C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccs1 ZINC000527108696 1018514917 /nfs/dbraw/zinc/51/49/17/1018514917.db2.gz WAQLTKOGMAJIQZ-ZDUSSCGKSA-N -1 3 314.414 3.537 20 0 DHADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000565044988 1018523052 /nfs/dbraw/zinc/52/30/52/1018523052.db2.gz VFPQWAWWYVEDOW-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM CSc1nsc([N-]C(=O)c2ccc(-c3ccco3)s2)n1 ZINC000676036173 1018649024 /nfs/dbraw/zinc/64/90/24/1018649024.db2.gz QDTAOIIZYGYFQC-UHFFFAOYSA-N -1 3 323.424 3.834 20 0 DHADHM O=C([N-]CCCSC/C=C/c1ccccc1)C(F)(F)F ZINC000091606518 1018765407 /nfs/dbraw/zinc/76/54/07/1018765407.db2.gz RFTKKHXNKVTONL-XBXARRHUSA-N -1 3 303.349 3.502 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c([O-])c1 ZINC000676595437 1018782669 /nfs/dbraw/zinc/78/26/69/1018782669.db2.gz HKMMSKFPMWOHHT-UHFFFAOYSA-N -1 3 317.295 3.698 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000708924789 1018840120 /nfs/dbraw/zinc/84/01/20/1018840120.db2.gz GVQSCCTWOOVQNT-LBPRGKRZSA-N -1 3 307.337 3.529 20 0 DHADHM CC(C)C[C@@](C)(CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000900054430 1018878285 /nfs/dbraw/zinc/87/82/85/1018878285.db2.gz VERVXYHKRGZGIX-HNNXBMFYSA-N -1 3 319.779 3.845 20 0 DHADHM O=C(NCCc1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000471633774 1018908313 /nfs/dbraw/zinc/90/83/13/1018908313.db2.gz HSZNDDGANSKIBK-UHFFFAOYSA-N -1 3 309.340 3.657 20 0 DHADHM C[C@H]1c2cccn2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471707046 1018921771 /nfs/dbraw/zinc/92/17/71/1018921771.db2.gz SFXBDGMPPXWIEC-ZDUSSCGKSA-N -1 3 306.365 3.564 20 0 DHADHM CC(C)Oc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000315381116 1018940759 /nfs/dbraw/zinc/94/07/59/1018940759.db2.gz FTTOZAUXOKBUBB-HNNXBMFYSA-N -1 3 319.426 3.841 20 0 DHADHM O=C(NCc1ccc(Cl)cn1)c1cc([O-])c2ccccc2c1 ZINC000355449611 1018962073 /nfs/dbraw/zinc/96/20/73/1018962073.db2.gz ADCNJBMMYXQNLQ-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1[O-] ZINC000023489906 1018983609 /nfs/dbraw/zinc/98/36/09/1018983609.db2.gz DVEAFASZXNZKIT-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC)c2)cc1 ZINC000029046609 1019165020 /nfs/dbraw/zinc/16/50/20/1019165020.db2.gz PZJJYFUVOZWYTJ-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c([O-])c1 ZINC000031418626 1019220665 /nfs/dbraw/zinc/22/06/65/1019220665.db2.gz WNSLSSIOPYKLMI-AWEZNQCLSA-N -1 3 317.385 3.807 20 0 DHADHM CC(C)N(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041867511 1019278388 /nfs/dbraw/zinc/27/83/88/1019278388.db2.gz YIEGJPUUYSMURP-UHFFFAOYSA-N -1 3 320.392 3.579 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000043801048 1019364147 /nfs/dbraw/zinc/36/41/47/1019364147.db2.gz UYWNPXLUHHKHNV-ZJUUUORDSA-N -1 3 322.257 3.850 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cnc(Br)s1 ZINC001212481693 1019428175 /nfs/dbraw/zinc/42/81/75/1019428175.db2.gz DUQIBJLGFKNOPW-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM COc1nc(Nc2cc(F)cc(F)c2[O-])cc2ccccc21 ZINC001212483972 1019444004 /nfs/dbraw/zinc/44/40/04/1019444004.db2.gz BNXJAFMFPYGMCQ-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM O=c1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)nc[n-]1 ZINC001212361148 1019463935 /nfs/dbraw/zinc/46/39/35/1019463935.db2.gz ZECKDWYZYJIOOI-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM CCc1onc(C)c1NCc1cccc([O-])c1Br ZINC000922132266 1019495599 /nfs/dbraw/zinc/49/55/99/1019495599.db2.gz UJUZJWNUSDWXNR-UHFFFAOYSA-N -1 3 311.179 3.626 20 0 DHADHM CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCCOC1 ZINC000922133581 1019498637 /nfs/dbraw/zinc/49/86/37/1019498637.db2.gz KMZHBXJNIFMMOI-RISCZKNCSA-N -1 3 319.426 3.542 20 0 DHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3c([O-])cccc3O)CC2)c1 ZINC000092139065 1019504709 /nfs/dbraw/zinc/50/47/09/1019504709.db2.gz YCWQVNBOLLITJN-UHFFFAOYSA-N -1 3 323.392 3.644 20 0 DHADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cc(F)cc(F)c1F ZINC000814212705 1019510518 /nfs/dbraw/zinc/51/05/18/1019510518.db2.gz VWSSOJFDWWXLIT-VOTSOKGWSA-N -1 3 313.300 3.517 20 0 DHADHM CCc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1[O-] ZINC000093926882 1019591778 /nfs/dbraw/zinc/59/17/78/1019591778.db2.gz LHAGOHNWLFXFEP-UHFFFAOYSA-N -1 3 301.411 3.821 20 0 DHADHM Cc1cccc(O)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000682521951 1019643908 /nfs/dbraw/zinc/64/39/08/1019643908.db2.gz SQWQJHRVBLUTAI-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM Cc1ccsc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525928410 1019728006 /nfs/dbraw/zinc/72/80/06/1019728006.db2.gz JASRKLLNQPJRNP-UHFFFAOYSA-N -1 3 311.406 3.888 20 0 DHADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000477507256 1032850399 /nfs/dbraw/zinc/85/03/99/1032850399.db2.gz VNBAOWFLEWZRCI-UHFFFAOYSA-N -1 3 318.442 3.677 20 0 DHADHM COc1ccc(F)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527177137 1019743925 /nfs/dbraw/zinc/74/39/25/1019743925.db2.gz VWUDHMFOFNNOQD-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2cccc(F)c21 ZINC000527167592 1019744577 /nfs/dbraw/zinc/74/45/77/1019744577.db2.gz UUZQIYQEHQWRGA-UHFFFAOYSA-N -1 3 307.324 3.887 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527476341 1019753008 /nfs/dbraw/zinc/75/30/08/1019753008.db2.gz MLCAATCLEKNTRL-QMTHXVAHSA-N -1 3 323.314 3.958 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SCc2ccon2)s1 ZINC000115963683 1019805240 /nfs/dbraw/zinc/80/52/40/1019805240.db2.gz RJPBDWHKFPTHFA-UHFFFAOYSA-N -1 3 308.363 3.701 20 0 DHADHM COc1ccsc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000729946192 1019928484 /nfs/dbraw/zinc/92/84/84/1019928484.db2.gz VQAQTXRZWOCAIW-UHFFFAOYSA-N -1 3 323.443 3.908 20 0 DHADHM Cc1cccc2nc(COC(=O)c3cc(Cl)c(Cl)[n-]3)cn21 ZINC000730039109 1019939945 /nfs/dbraw/zinc/93/99/45/1019939945.db2.gz KLMRPXVVIWQNAA-UHFFFAOYSA-N -1 3 324.167 3.635 20 0 DHADHM COc1ccccc1CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000352293886 1019958115 /nfs/dbraw/zinc/95/81/15/1019958115.db2.gz OJIHPGQLMOIKQI-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM CCOc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000685579198 1019961135 /nfs/dbraw/zinc/96/11/35/1019961135.db2.gz UMQOSMLKOZNVSD-LLVKDONJSA-N -1 3 319.788 3.935 20 0 DHADHM O=C([N-][C@H]1CCc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000730188370 1019961043 /nfs/dbraw/zinc/96/10/43/1019961043.db2.gz DSJMNDDTGVIVAA-HNNXBMFYSA-N -1 3 323.289 3.860 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671785069 1020166772 /nfs/dbraw/zinc/16/67/72/1020166772.db2.gz XCTBLIRDOKWLBN-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM CC(C)[C@@H](N[C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000186371794 1020271046 /nfs/dbraw/zinc/27/10/46/1020271046.db2.gz ALKBNRJRGDJYEI-IAQYHMDHSA-N -1 3 311.397 3.548 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncc(OC)cn1 ZINC000339962883 1020352709 /nfs/dbraw/zinc/35/27/09/1020352709.db2.gz RGVIKUYDFDAFIH-UHFFFAOYSA-N -1 3 323.805 3.503 20 0 DHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)c1ccccc1 ZINC000671891462 1020381833 /nfs/dbraw/zinc/38/18/33/1020381833.db2.gz HMOQIKBWBMLSOF-UHFFFAOYSA-N -1 3 320.392 3.535 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C ZINC000055555644 1020450483 /nfs/dbraw/zinc/45/04/83/1020450483.db2.gz DCGLRBKHIAEYCC-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C([N-]C1(c2cccc(F)c2)CC1)C(F)(F)c1ccccc1F ZINC000765826757 1020453553 /nfs/dbraw/zinc/45/35/53/1020453553.db2.gz MLCLGVIKFMOYPY-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM Cc1ccccc1CC1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000685779673 1020591995 /nfs/dbraw/zinc/59/19/95/1020591995.db2.gz RBEIOHPKLPQAME-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000303833346 1020605280 /nfs/dbraw/zinc/60/52/80/1020605280.db2.gz RIUYRAAJDKRCEM-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM C[C@@H]1CCc2c(C(=O)NCc3ccc([O-])c(F)c3)csc2C1 ZINC000303847752 1020607851 /nfs/dbraw/zinc/60/78/51/1020607851.db2.gz UKHVJCCBGCIDFF-SNVBAGLBSA-N -1 3 319.401 3.648 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cc(Cl)ccc3F)n[n-]2)o1 ZINC000735608950 1020752379 /nfs/dbraw/zinc/75/23/79/1020752379.db2.gz ICKGUZCDEOFAIH-UHFFFAOYSA-N -1 3 320.707 3.990 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cc(Cl)ccc3F)[n-]n2)o1 ZINC000735608950 1020752385 /nfs/dbraw/zinc/75/23/85/1020752385.db2.gz ICKGUZCDEOFAIH-UHFFFAOYSA-N -1 3 320.707 3.990 20 0 DHADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cccc([O-])c1F ZINC000613110571 1020813743 /nfs/dbraw/zinc/81/37/43/1020813743.db2.gz QEGHGEVAOOESHV-AWEZNQCLSA-N -1 3 315.344 3.759 20 0 DHADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000174209175 1020961624 /nfs/dbraw/zinc/96/16/24/1020961624.db2.gz PSNJRABSWFDAHA-QGZVFWFLSA-N -1 3 301.361 3.587 20 0 DHADHM Cc1cc([N-]C(=O)c2ncoc2-c2ccccc2Cl)no1 ZINC000742039215 1021088843 /nfs/dbraw/zinc/08/88/43/1021088843.db2.gz OJVUMUPERJIUBQ-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM CCCC[C@H](CC)CNC(=S)NCc1ccc([O-])c(F)c1 ZINC000737460759 1021096452 /nfs/dbraw/zinc/09/64/52/1021096452.db2.gz FFQGZGPRXXPEMQ-LBPRGKRZSA-N -1 3 312.454 3.712 20 0 DHADHM CC[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(C)cc1 ZINC000162700913 1021137043 /nfs/dbraw/zinc/13/70/43/1021137043.db2.gz KTDGDAVIGRCBDI-LBPRGKRZSA-N -1 3 303.324 3.879 20 0 DHADHM CCc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3C2)c1[O-] ZINC000089926596 1021197502 /nfs/dbraw/zinc/19/75/02/1021197502.db2.gz KULFYQDKMLMWBM-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM COc1cc(CNC(=O)Nc2cccc(C)c2)cc(Cl)c1[O-] ZINC001202320318 1021216110 /nfs/dbraw/zinc/21/61/10/1021216110.db2.gz DFHDBTSNLWSKAI-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(Cl)cc1 ZINC001202364315 1021227899 /nfs/dbraw/zinc/22/78/99/1021227899.db2.gz BPSJYMKMYPRDRS-UHFFFAOYSA-N -1 3 305.643 3.991 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(Cl)cc1 ZINC001202375943 1021235555 /nfs/dbraw/zinc/23/55/55/1021235555.db2.gz SDOSJQHSQCYWQG-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538007027 1032968298 /nfs/dbraw/zinc/96/82/98/1032968298.db2.gz POHCIIPFRICIMC-MRXNPFEDSA-N -1 3 321.442 3.668 20 0 DHADHM O=C(Nc1ccc(Cl)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000618083597 1021268739 /nfs/dbraw/zinc/26/87/39/1021268739.db2.gz MBAPIESTUKCVBO-UHFFFAOYSA-N -1 3 316.719 3.573 20 0 DHADHM CC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCCCC1 ZINC000180913422 1021276006 /nfs/dbraw/zinc/27/60/06/1021276006.db2.gz POQZZZVHDGARCA-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM Cc1cc(C)cc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000618159304 1021306584 /nfs/dbraw/zinc/30/65/84/1021306584.db2.gz VKAACSIOOAKCQI-UHFFFAOYSA-N -1 3 315.388 3.787 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1[O-] ZINC000618186228 1021319025 /nfs/dbraw/zinc/31/90/25/1021319025.db2.gz HEKVWNCLPFOJAF-MRXNPFEDSA-N -1 3 315.413 3.637 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)CC(F)(F)F ZINC000412673217 1021334002 /nfs/dbraw/zinc/33/40/02/1021334002.db2.gz JILGOCNZVFKYKF-JTQLQIEISA-N -1 3 311.303 3.864 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000128798686 1021352138 /nfs/dbraw/zinc/35/21/38/1021352138.db2.gz LMTAJEAVELRRLM-RKDXNWHRSA-N -1 3 305.271 3.839 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000128798256 1021352596 /nfs/dbraw/zinc/35/25/96/1021352596.db2.gz LMTAJEAVELRRLM-BDAKNGLRSA-N -1 3 305.271 3.839 20 0 DHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([O-])c1F ZINC000128893130 1021370496 /nfs/dbraw/zinc/37/04/96/1021370496.db2.gz MTNGWUWAQVBEFP-OAHLLOKOSA-N -1 3 303.333 3.636 20 0 DHADHM Cc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c([O-])c1 ZINC000069042530 1021439671 /nfs/dbraw/zinc/43/96/71/1021439671.db2.gz JAYMSECOEIFLOA-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129511685 1021499976 /nfs/dbraw/zinc/49/99/76/1021499976.db2.gz DJVRJSXYDJIHKA-LLVKDONJSA-N -1 3 305.374 3.792 20 0 DHADHM O=C(CCCOCCc1ccccc1)Nc1cccc([O-])c1F ZINC000129516360 1021501902 /nfs/dbraw/zinc/50/19/02/1021501902.db2.gz ZGBXQJGMZCPDBB-UHFFFAOYSA-N -1 3 317.360 3.509 20 0 DHADHM COc1ccc(S[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129712997 1021559733 /nfs/dbraw/zinc/55/97/33/1021559733.db2.gz IDNYNYKKVPBQOY-SNVBAGLBSA-N -1 3 321.373 3.659 20 0 DHADHM CC(C)COC[C@H](NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000892782611 1021614165 /nfs/dbraw/zinc/61/41/65/1021614165.db2.gz RQARWDFSXYUJGK-HNNXBMFYSA-N -1 3 307.365 3.628 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)/C=C\C3CC3)nc(=O)c2c1C ZINC000745558292 1021733871 /nfs/dbraw/zinc/73/38/71/1021733871.db2.gz XMVZYCPVALRODU-ATJFRQLMSA-N -1 3 318.398 3.584 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1cccc([O-])c1F ZINC000556692872 1021816400 /nfs/dbraw/zinc/81/64/00/1021816400.db2.gz GUJYJYKVWUQJFM-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C2CC2)c1Cl ZINC000619664515 1021819966 /nfs/dbraw/zinc/81/99/66/1021819966.db2.gz RZZWRONCGKVYHU-SECBINFHSA-N -1 3 322.257 3.626 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1c[n-]c2ccccc2c1=O ZINC000046016986 1022010084 /nfs/dbraw/zinc/01/00/84/1022010084.db2.gz XWPVPIVGDAQGFL-UHFFFAOYSA-N -1 3 318.376 3.659 20 0 DHADHM CC(NC(=O)CCCc1ccc([O-])c(F)c1)(C1CC1)C1CC1 ZINC000620025088 1022014897 /nfs/dbraw/zinc/01/48/97/1022014897.db2.gz HTCMBKUIXVHRFP-UHFFFAOYSA-N -1 3 305.393 3.549 20 0 DHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc2c(c1)OCO2 ZINC000920163274 1022064246 /nfs/dbraw/zinc/06/42/46/1022064246.db2.gz STUDNYHTXNZAGG-VIFPVBQESA-N -1 3 315.350 3.876 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NC1CCC(C2CCC2)CC1 ZINC000620475680 1022161689 /nfs/dbraw/zinc/16/16/89/1022161689.db2.gz SKZIZSUHVUEXRP-UHFFFAOYSA-N -1 3 305.393 3.549 20 0 DHADHM O=C([N-]Cc1ccc(Cl)cc1)C(F)(F)c1ccc(F)cc1 ZINC000920841669 1022183033 /nfs/dbraw/zinc/18/30/33/1022183033.db2.gz VFCRYZNJLRSHKE-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1CC1CCC1 ZINC000620573311 1022193919 /nfs/dbraw/zinc/19/39/19/1022193919.db2.gz IRSLHHVKDSPERJ-OAHLLOKOSA-N -1 3 324.424 3.713 20 0 DHADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(Cl)cc1[O-] ZINC000153600869 1022227677 /nfs/dbraw/zinc/22/76/77/1022227677.db2.gz QYOCBUZFFYGFJB-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCOc2ccccc21 ZINC000153671584 1022237775 /nfs/dbraw/zinc/23/77/75/1022237775.db2.gz AFIQOXINZDILKI-GFCCVEGCSA-N -1 3 303.745 3.550 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000776677470 1022274643 /nfs/dbraw/zinc/27/46/43/1022274643.db2.gz WYPPRKYRBXAYHU-UHFFFAOYSA-N -1 3 305.683 3.717 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SC[C@@H]2CCOC2)s1 ZINC000042128399 1022329188 /nfs/dbraw/zinc/32/91/88/1022329188.db2.gz CHMAUEJEFOZSKY-SECBINFHSA-N -1 3 311.407 3.549 20 0 DHADHM CSc1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000853778865 1022340411 /nfs/dbraw/zinc/34/04/11/1022340411.db2.gz GFXBTZOKYWEARE-UHFFFAOYSA-N -1 3 323.405 3.710 20 0 DHADHM CCOC(=O)c1nc(Nc2ccc(Cl)c([O-])c2)sc1C ZINC001212588149 1022350813 /nfs/dbraw/zinc/35/08/13/1022350813.db2.gz HAGRXBIFZHTJJE-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1[O-] ZINC000854468259 1022476795 /nfs/dbraw/zinc/47/67/95/1022476795.db2.gz PSKWQWFGWHQQPY-VIFPVBQESA-N -1 3 316.184 3.507 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000615474065 1022482332 /nfs/dbraw/zinc/48/23/32/1022482332.db2.gz IUQHUAOADFZLBX-HBNTYKKESA-N -1 3 324.218 3.838 20 0 DHADHM Nc1c(F)c(F)c(Nc2ccc(Cl)c([O-])c2)c(F)c1F ZINC001212593308 1022486402 /nfs/dbraw/zinc/48/64/02/1022486402.db2.gz KTMHYWONQUJWEJ-UHFFFAOYSA-N -1 3 306.646 3.928 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592970 1022492361 /nfs/dbraw/zinc/49/23/61/1022492361.db2.gz ADAJRJUBPHFVCE-UHFFFAOYSA-N -1 3 316.788 3.912 20 0 DHADHM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000179648215 1022498340 /nfs/dbraw/zinc/49/83/40/1022498340.db2.gz BSYNCEJBQHWACD-FNORWQNLSA-N -1 3 320.389 3.937 20 0 DHADHM CNC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1Cl ZINC001212593589 1022498944 /nfs/dbraw/zinc/49/89/44/1022498944.db2.gz ZAKNMOGIJHLARF-UHFFFAOYSA-N -1 3 311.168 3.802 20 0 DHADHM Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593605 1022500120 /nfs/dbraw/zinc/50/01/20/1022500120.db2.gz ZSEBSNYDRVYEOB-UHFFFAOYSA-N -1 3 304.777 3.799 20 0 DHADHM O=C(Nc1ccccc1)c1ccc(NCc2ncccc2[O-])cc1 ZINC001169732090 1022525392 /nfs/dbraw/zinc/52/53/92/1022525392.db2.gz GBBGDQALULZDFL-UHFFFAOYSA-N -1 3 319.364 3.652 20 0 DHADHM [O-]c1cccnc1CNc1cccc(Oc2ccc(F)cc2)n1 ZINC001169730639 1022525944 /nfs/dbraw/zinc/52/59/44/1022525944.db2.gz FPIZDHFCBKNNQP-UHFFFAOYSA-N -1 3 311.316 3.726 20 0 DHADHM [O-]c1cccnc1CNc1nccc2cccc(C(F)(F)F)c21 ZINC001169733202 1022528163 /nfs/dbraw/zinc/52/81/63/1022528163.db2.gz QMZDLCJYGMSPSJ-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000854895740 1022542684 /nfs/dbraw/zinc/54/26/84/1022542684.db2.gz XIVDVVBGYLHYCT-CQSZACIVSA-N -1 3 309.312 3.539 20 0 DHADHM COC(=O)Cc1cc(Nc2ccc(Cl)c([O-])c2)ccc1C ZINC001212595405 1022548850 /nfs/dbraw/zinc/54/88/50/1022548850.db2.gz RXWBHAUZPLKSGS-UHFFFAOYSA-N -1 3 305.761 3.813 20 0 DHADHM COC(=O)c1nc2c(cccc2Nc2ccc(Cl)c([O-])c2)o1 ZINC001212595388 1022549624 /nfs/dbraw/zinc/54/96/24/1022549624.db2.gz RGXKWJGFUIUIAN-UHFFFAOYSA-N -1 3 318.716 3.717 20 0 DHADHM COC(=O)[C@H]1CCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212594968 1022551216 /nfs/dbraw/zinc/55/12/16/1022551216.db2.gz FOQLIRAHVYUXQV-AWEZNQCLSA-N -1 3 317.772 3.992 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2cscc2Br)on1 ZINC000615734516 1022554838 /nfs/dbraw/zinc/55/48/38/1022554838.db2.gz KZEJZBNQYIDVTD-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM Cc1ccc(-c2ncco2)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417017365 1022562560 /nfs/dbraw/zinc/56/25/60/1022562560.db2.gz BGVDHQVKYNOGJO-UHFFFAOYSA-N -1 3 322.368 3.635 20 0 DHADHM Cc1c(NCc2cc(=O)[n-]c(C3CC3)n2)cccc1-c1ncco1 ZINC000417042604 1022572613 /nfs/dbraw/zinc/57/26/13/1022572613.db2.gz LSFHZKOPCKWELV-UHFFFAOYSA-N -1 3 322.368 3.635 20 0 DHADHM Cc1sc(NC(=O)c2[n-]cnc2C(F)(F)F)nc1C(C)C ZINC000855238387 1022602398 /nfs/dbraw/zinc/60/23/98/1022602398.db2.gz UMVNZONREWWJKR-UHFFFAOYSA-N -1 3 318.324 3.569 20 0 DHADHM Cc1sc(NC(=O)c2nc[n-]c2C(F)(F)F)nc1C(C)C ZINC000855238387 1022602404 /nfs/dbraw/zinc/60/24/04/1022602404.db2.gz UMVNZONREWWJKR-UHFFFAOYSA-N -1 3 318.324 3.569 20 0 DHADHM CC[C@H](COCC1CC1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000855284309 1022607472 /nfs/dbraw/zinc/60/74/72/1022607472.db2.gz QBCFEFSURRMNOL-CYBMUJFWSA-N -1 3 319.426 3.542 20 0 DHADHM CSc1cc(F)ccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000616492900 1022736857 /nfs/dbraw/zinc/73/68/57/1022736857.db2.gz AOZIJFBBYDEMLX-UHFFFAOYSA-N -1 3 306.362 3.667 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2ccon2)CC1 ZINC000856173278 1022763526 /nfs/dbraw/zinc/76/35/26/1022763526.db2.gz JKQWOWXJBNORFK-UHFFFAOYSA-N -1 3 322.364 3.553 20 0 DHADHM COc1ccccc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000584826249 1022777500 /nfs/dbraw/zinc/77/75/00/1022777500.db2.gz VCLICSGPDPAAIS-UHFFFAOYSA-N -1 3 302.399 3.502 20 0 DHADHM O=C(NOCC1CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000856349290 1022800686 /nfs/dbraw/zinc/80/06/86/1022800686.db2.gz BMYMAKPRZJGUOW-UHFFFAOYSA-N -1 3 313.353 3.646 20 0 DHADHM [O-]c1ccc(Cc2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)cc1F ZINC000621806374 1022889692 /nfs/dbraw/zinc/88/96/92/1022889692.db2.gz LHAZVRFLSWTBOR-GJZGRUSLSA-N -1 3 324.355 3.851 20 0 DHADHM CSc1cc(Cl)ccc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000617252880 1022900258 /nfs/dbraw/zinc/90/02/58/1022900258.db2.gz BEJVFSPRDBIZLB-UHFFFAOYSA-N -1 3 324.837 3.661 20 0 DHADHM CSc1c(F)cccc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000617276846 1022904791 /nfs/dbraw/zinc/90/47/91/1022904791.db2.gz RIKCOAVCNMCBOU-UHFFFAOYSA-N -1 3 308.403 3.745 20 0 DHADHM Cc1ccccc1-c1csc([N-]c2ncnc3n[nH]cc32)n1 ZINC000163294919 1022908228 /nfs/dbraw/zinc/90/82/28/1022908228.db2.gz HKGTWXHGVHFQPX-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Cc1ccccc1-c1csc([N-]c2ncnc3c2cnn3C)n1 ZINC000163295055 1022908272 /nfs/dbraw/zinc/90/82/72/1022908272.db2.gz XKFHHILGNAPELP-UHFFFAOYSA-N -1 3 322.397 3.539 20 0 DHADHM O=C([O-])CCCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000263564588 1022912334 /nfs/dbraw/zinc/91/23/34/1022912334.db2.gz FBMFVFAFWSRIBU-UHFFFAOYSA-N -1 3 303.324 3.696 20 0 DHADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621894824 1022921228 /nfs/dbraw/zinc/92/12/28/1022921228.db2.gz AJMIMUZVAFZZFS-JOYOIKCWSA-N -1 3 301.308 3.672 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2ccco2)CC1 ZINC000617384407 1022936167 /nfs/dbraw/zinc/93/61/67/1022936167.db2.gz APSPQIUDYBJNNZ-UHFFFAOYSA-N -1 3 305.761 3.658 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000164154164 1022942631 /nfs/dbraw/zinc/94/26/31/1022942631.db2.gz MQNRHUJOVNMOOB-KRWDZBQOSA-N -1 3 324.424 3.671 20 0 DHADHM CC(C)Cc1ncc(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000671162078 1022980905 /nfs/dbraw/zinc/98/09/05/1022980905.db2.gz JZLUJHLTGWHAQT-LBPRGKRZSA-N -1 3 324.471 3.709 20 0 DHADHM COC[C@@H](C)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000847880036 1022995772 /nfs/dbraw/zinc/99/57/72/1022995772.db2.gz YHMNKSPUUDZLFE-QMMMGPOBSA-N -1 3 301.795 3.712 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H](C2CC2)C1 ZINC000622055324 1023009263 /nfs/dbraw/zinc/00/92/63/1023009263.db2.gz FUXZNANCKUOLON-LLVKDONJSA-N -1 3 313.319 3.673 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cnc4ccccc4c3)no2)c1 ZINC000326513272 1023016280 /nfs/dbraw/zinc/01/62/80/1023016280.db2.gz KSKHWXNUNBXZEG-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM O=C(NCCC1CC(F)(F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622098044 1023033108 /nfs/dbraw/zinc/03/31/08/1023033108.db2.gz TZHOXKKAKXDPRV-UHFFFAOYSA-N -1 3 323.261 3.576 20 0 DHADHM CCCCC1CCC(C(=O)Nc2cnc(C(=O)OCC)[n-]2)CC1 ZINC000617872295 1023085623 /nfs/dbraw/zinc/08/56/23/1023085623.db2.gz QNANEELCEBLVDM-UHFFFAOYSA-N -1 3 321.421 3.522 20 0 DHADHM CCCCC1CCC(C(=O)Nc2c[n-]c(C(=O)OCC)n2)CC1 ZINC000617872295 1023085639 /nfs/dbraw/zinc/08/56/39/1023085639.db2.gz QNANEELCEBLVDM-UHFFFAOYSA-N -1 3 321.421 3.522 20 0 DHADHM CSC[C@@H]1CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000319517679 1023168926 /nfs/dbraw/zinc/16/89/26/1023168926.db2.gz BGXAZLPYOAVBDU-GFCCVEGCSA-N -1 3 316.426 3.512 20 0 DHADHM O=c1ccnc(C=Cc2ccc(Cl)cc2Br)[n-]1 ZINC000769771567 1023203975 /nfs/dbraw/zinc/20/39/75/1023203975.db2.gz QOZNTPFWUMVVSS-RQOWECAXSA-N -1 3 311.566 3.769 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)o1 ZINC000109725698 1023243387 /nfs/dbraw/zinc/24/33/87/1023243387.db2.gz ZHBSQLNDOXDLQC-UHFFFAOYSA-N -1 3 317.395 3.843 20 0 DHADHM CC(C)CO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000770242942 1023286311 /nfs/dbraw/zinc/28/63/11/1023286311.db2.gz BSBCCFRFUJHNQE-UHFFFAOYSA-N -1 3 303.324 3.732 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1 ZINC000047454302 1023313552 /nfs/dbraw/zinc/31/35/52/1023313552.db2.gz LUVIADKITJBBEL-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC(C)c1ccc(-c2nc(-c3cccn4ccnc34)no2)c([O-])c1 ZINC000771447589 1023434695 /nfs/dbraw/zinc/43/46/95/1023434695.db2.gz IEWGYTKLVJSSRN-UHFFFAOYSA-N -1 3 320.352 3.880 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1cc2ccccc2o1 ZINC000786029970 1023653200 /nfs/dbraw/zinc/65/32/00/1023653200.db2.gz KGTSJZZEJYEGJY-UHFFFAOYSA-N -1 3 309.277 3.547 20 0 DHADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)cc1C ZINC000786030777 1023653316 /nfs/dbraw/zinc/65/33/16/1023653316.db2.gz BZCGVRMKYINPFK-GFCCVEGCSA-N -1 3 311.337 3.806 20 0 DHADHM Cc1cc(C(=O)COC(=O)c2cc3occc3[n-]2)cc(C)c1F ZINC000786034365 1023654409 /nfs/dbraw/zinc/65/44/09/1023654409.db2.gz SJVUGZPQFONPSC-UHFFFAOYSA-N -1 3 315.300 3.557 20 0 DHADHM Cc1cccc(F)c1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787069977 1023754557 /nfs/dbraw/zinc/75/45/57/1023754557.db2.gz DBOTYYLKUPAIGQ-UHFFFAOYSA-N -1 3 319.351 3.618 20 0 DHADHM Cc1cccc2nc(-c3ccc(Br)cc3)[n-]c(=O)c12 ZINC000048606506 1023799616 /nfs/dbraw/zinc/79/96/16/1023799616.db2.gz CZEBTGLBRXAGKX-UHFFFAOYSA-N -1 3 315.170 3.661 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(Cl)nc1 ZINC000787848963 1023825991 /nfs/dbraw/zinc/82/59/91/1023825991.db2.gz RKYJECAHNPFVJA-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM Cc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)c(C)n1 ZINC000787847555 1023826265 /nfs/dbraw/zinc/82/62/65/1023826265.db2.gz HFYOYRWTWZCHJP-UHFFFAOYSA-N -1 3 317.360 3.609 20 0 DHADHM O=C(NCCc1ccccc1F)c1cc2sccc2c([O-])c1 ZINC000788263761 1023867102 /nfs/dbraw/zinc/86/71/02/1023867102.db2.gz CILLZBADAMBHKN-UHFFFAOYSA-N -1 3 315.369 3.719 20 0 DHADHM Cc1cccc(CCNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788297561 1023868533 /nfs/dbraw/zinc/86/85/33/1023868533.db2.gz XFFVVOORBFEQRX-UHFFFAOYSA-N -1 3 311.406 3.888 20 0 DHADHM COc1cccc([C@H](C)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000652487417 1023894693 /nfs/dbraw/zinc/89/46/93/1023894693.db2.gz DXONAOVAPAYUHG-ZDUSSCGKSA-N -1 3 311.381 3.513 20 0 DHADHM COC(=O)c1cnc(SCCSc2ccc(C)c(C)c2)[n-]1 ZINC000788506835 1023897948 /nfs/dbraw/zinc/89/79/48/1023897948.db2.gz YBCCZYWOUCMJAD-UHFFFAOYSA-N -1 3 322.455 3.698 20 0 DHADHM O=C([N-]OC[C@H]1CCOC1)C1(C2CCCCC2)CCCCC1 ZINC000788568771 1023908954 /nfs/dbraw/zinc/90/89/54/1023908954.db2.gz DJOIRDRCTSQKFS-HNNXBMFYSA-N -1 3 309.450 3.602 20 0 DHADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OC1CCCCC1 ZINC000788772486 1023930049 /nfs/dbraw/zinc/93/00/49/1023930049.db2.gz QWKDBLDGUFYXQG-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM CC1(C)CCCC[C@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222407 1023996022 /nfs/dbraw/zinc/99/60/22/1023996022.db2.gz GTWSAGGCJQFFGZ-RDJZCZTQSA-N -1 3 301.430 3.887 20 0 DHADHM Cc1cc(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])ccc1Cl ZINC000531134869 1024020866 /nfs/dbraw/zinc/02/08/66/1024020866.db2.gz AUBYECCOPFHVAQ-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1 ZINC000538765300 1033180004 /nfs/dbraw/zinc/18/00/04/1033180004.db2.gz KQKRWJQSPXDJEX-AWEZNQCLSA-N -1 3 324.424 3.687 20 0 DHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1cc(F)ccc1[O-] ZINC000531134680 1024022955 /nfs/dbraw/zinc/02/29/55/1024022955.db2.gz RAYKLMRPZQGQLX-UHFFFAOYSA-N -1 3 318.735 3.778 20 0 DHADHM [O-]c1ccc(Br)cc1C=Nc1ccc2c(c1)OCO2 ZINC000254867445 1024027105 /nfs/dbraw/zinc/02/71/05/1024027105.db2.gz FVGCOJWXUJZJRX-UHFFFAOYSA-N -1 3 320.142 3.634 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(CC4CC4)CC3)nc2)n1 ZINC000882774725 1024128649 /nfs/dbraw/zinc/12/86/49/1024128649.db2.gz VVUQEIDVAACOFM-UHFFFAOYSA-N -1 3 324.428 3.799 20 0 DHADHM O=C(OCc1csc(Cl)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000789775115 1024173102 /nfs/dbraw/zinc/17/31/02/1024173102.db2.gz KQXIPWJVPLEQNP-UHFFFAOYSA-N -1 3 311.577 3.788 20 0 DHADHM CC(C)CC[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269106980 1024242684 /nfs/dbraw/zinc/24/26/84/1024242684.db2.gz BKUMWLZOQLSDRG-CQSZACIVSA-N -1 3 312.413 3.981 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H]1C1CC1 ZINC000452987041 1024269446 /nfs/dbraw/zinc/26/94/46/1024269446.db2.gz JCCRIURSQAQUKQ-GOSISDBHSA-N -1 3 307.393 3.608 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H]1C1CC1 ZINC000452988822 1024269702 /nfs/dbraw/zinc/26/97/02/1024269702.db2.gz LBRQRJRTQHJMGK-IBGZPJMESA-N -1 3 321.420 3.802 20 0 DHADHM O=C([N-]c1nncs1)c1c(Cl)ccc(Cl)c1Cl ZINC000120375060 1024286082 /nfs/dbraw/zinc/28/60/82/1024286082.db2.gz PEQLQJZULRHUGF-UHFFFAOYSA-N -1 3 308.577 3.751 20 0 DHADHM CC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(CC)CC ZINC000538830721 1033199591 /nfs/dbraw/zinc/19/95/91/1033199591.db2.gz MYSACHMQFURQQX-LBPRGKRZSA-N -1 3 319.232 3.758 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCCCC1CCOCC1 ZINC000790666288 1024347665 /nfs/dbraw/zinc/34/76/65/1024347665.db2.gz QOIURNJCZIUYHQ-UHFFFAOYSA-N -1 3 324.392 3.604 20 0 DHADHM O=C(OCCSCc1ccccc1)c1cc2occc2[n-]1 ZINC000790666173 1024348190 /nfs/dbraw/zinc/34/81/90/1024348190.db2.gz OGQJZHUVSJOUOE-UHFFFAOYSA-N -1 3 301.367 3.851 20 0 DHADHM CC(C)(C)C1CCC(CC(=O)[N-]OCc2cccnc2)CC1 ZINC000746938478 1024349954 /nfs/dbraw/zinc/34/99/54/1024349954.db2.gz TYOAYZSQMYLFMY-UHFFFAOYSA-N -1 3 304.434 3.872 20 0 DHADHM Cc1cnc(CCN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000270180331 1024362637 /nfs/dbraw/zinc/36/26/37/1024362637.db2.gz WVYPGOXOLYZNNG-UHFFFAOYSA-N -1 3 318.442 3.595 20 0 DHADHM CC[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000790950716 1024402987 /nfs/dbraw/zinc/40/29/87/1024402987.db2.gz SJNANWYPWSGABX-SECBINFHSA-N -1 3 318.186 3.572 20 0 DHADHM CCSCC[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000791375801 1024479077 /nfs/dbraw/zinc/47/90/77/1024479077.db2.gz ROWLVTKVHZJTBV-JTQLQIEISA-N -1 3 309.456 3.868 20 0 DHADHM COc1cc(/C=C/c2nc(Cl)ncc2C)cc(Cl)c1[O-] ZINC000791435272 1024495982 /nfs/dbraw/zinc/49/59/82/1024495982.db2.gz RKNZBUBBUQRGBO-ONEGZZNKSA-N -1 3 311.168 3.976 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000029088634 1024571901 /nfs/dbraw/zinc/57/19/01/1024571901.db2.gz GIFZUDPTTBPYEE-UHFFFAOYSA-N -1 3 317.414 3.852 20 0 DHADHM CC(C)(C)SCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792129158 1024630986 /nfs/dbraw/zinc/63/09/86/1024630986.db2.gz NCPPVYJGBCWSAL-UHFFFAOYSA-N -1 3 303.427 3.807 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000349080270 1024672260 /nfs/dbraw/zinc/67/22/60/1024672260.db2.gz UFPYAVUAQOMUEF-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CC(C)(C)c1ccc(SCC(=O)Nc2ncccc2[O-])cc1 ZINC000021402690 1024673629 /nfs/dbraw/zinc/67/36/29/1024673629.db2.gz QSLHRKXDRHSFDB-UHFFFAOYSA-N -1 3 316.426 3.816 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(Cc2ccccc2)CC1 ZINC000011804227 1024721426 /nfs/dbraw/zinc/72/14/26/1024721426.db2.gz KEEIGYGWWOHVFW-UHFFFAOYSA-N -1 3 313.397 3.741 20 0 DHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCCC(F)(F)F ZINC000792606542 1024733956 /nfs/dbraw/zinc/73/39/56/1024733956.db2.gz IMNTUUJURYBGIZ-RYUDHWBXSA-N -1 3 315.335 3.976 20 0 DHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1F ZINC000800208568 1024738925 /nfs/dbraw/zinc/73/89/25/1024738925.db2.gz MOGZRBSHJCCIJJ-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1F ZINC000800208568 1024738940 /nfs/dbraw/zinc/73/89/40/1024738940.db2.gz MOGZRBSHJCCIJJ-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1F ZINC000800208568 1024738951 /nfs/dbraw/zinc/73/89/51/1024738951.db2.gz MOGZRBSHJCCIJJ-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM O=C(OC[C@H](F)C(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000800219332 1024743702 /nfs/dbraw/zinc/74/37/02/1024743702.db2.gz JYKCTYVUFVMRET-JTQLQIEISA-N -1 3 308.252 3.664 20 0 DHADHM COc1cc2ccn(-c3c(Cl)ccc([O-])c3F)c2c(N)c1 ZINC001214564753 1024766135 /nfs/dbraw/zinc/76/61/35/1024766135.db2.gz LGZOEOVGOQGJBU-UHFFFAOYSA-N -1 3 306.724 3.719 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/CCc1ccc(F)cc1 ZINC000005287663 1025029855 /nfs/dbraw/zinc/02/98/55/1025029855.db2.gz ZFWGPTHESLRRKS-VCHYOVAHSA-N -1 3 322.177 3.955 20 0 DHADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000120916454 1025064672 /nfs/dbraw/zinc/06/46/72/1025064672.db2.gz QCBOKYKYIDVARU-QGZVFWFLSA-N -1 3 310.397 3.853 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCc3sccc3C2)c([O-])c1 ZINC000051282527 1025196239 /nfs/dbraw/zinc/19/62/39/1025196239.db2.gz QFWZGFASGWGGAW-UHFFFAOYSA-N -1 3 301.411 3.776 20 0 DHADHM O=C(CCCOCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000051377271 1025204063 /nfs/dbraw/zinc/20/40/63/1025204063.db2.gz JXNIFTYFTPPFHA-UHFFFAOYSA-N -1 3 319.788 3.981 20 0 DHADHM CSCCO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000794194190 1025234006 /nfs/dbraw/zinc/23/40/06/1025234006.db2.gz RZKAZUZXILMQBU-JTQLQIEISA-N -1 3 321.364 3.610 20 0 DHADHM O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2ccc([O-])cc21 ZINC000436924944 1025233861 /nfs/dbraw/zinc/23/38/61/1025233861.db2.gz HRUAGPMHWFDPML-UHFFFAOYSA-N -1 3 314.344 3.963 20 0 DHADHM CSCCO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794190567 1025234762 /nfs/dbraw/zinc/23/47/62/1025234762.db2.gz HJDWXJZKQHEHOW-SNVBAGLBSA-N -1 3 321.364 3.610 20 0 DHADHM O=C([N-]OCc1ccccc1)Nc1nc(C2CCC2)cs1 ZINC000282934024 1025302454 /nfs/dbraw/zinc/30/24/54/1025302454.db2.gz GCRHYBUYKYEOTC-UHFFFAOYSA-N -1 3 303.387 3.664 20 0 DHADHM CCc1ccc(C(=O)Nc2c(OC)cccc2SC)c([O-])c1 ZINC001299497819 1025390721 /nfs/dbraw/zinc/39/07/21/1025390721.db2.gz YIOXDUHLTYPUPP-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H]3CCc4ccccc4C3)no2)c1 ZINC000325810263 1025415402 /nfs/dbraw/zinc/41/54/02/1025415402.db2.gz YSQWYHJYYSNUJK-CQSZACIVSA-N -1 3 322.364 3.723 20 0 DHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000105389832 1025920967 /nfs/dbraw/zinc/92/09/67/1025920967.db2.gz LUKRNSHDLAFGTI-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CSc1cc(F)ccc1[N-]C(=O)c1c(C)noc1C1CC1 ZINC000843725329 1026211417 /nfs/dbraw/zinc/21/14/17/1026211417.db2.gz PWYDESMSLVOICA-UHFFFAOYSA-N -1 3 306.362 3.974 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000289887033 1026219438 /nfs/dbraw/zinc/21/94/38/1026219438.db2.gz SCKYXFVQHMCGQU-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=C(C)c2cccc(F)c2)c1[O-] ZINC000808188148 1026222136 /nfs/dbraw/zinc/22/21/36/1026222136.db2.gz QMRPQXMIRJQXEV-PKNBQFBNSA-N -1 3 313.328 3.776 20 0 DHADHM CC[C@@H](OCCOc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000664133805 1026241466 /nfs/dbraw/zinc/24/14/66/1026241466.db2.gz CUOJEGQSLCHYOQ-GOSISDBHSA-N -1 3 312.365 3.808 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)C1(c2ccccc2)CC1 ZINC000808544866 1026326303 /nfs/dbraw/zinc/32/63/03/1026326303.db2.gz WMXVVEMYUISIGE-LBPRGKRZSA-N -1 3 323.348 3.607 20 0 DHADHM O=C(CCCCCc1ccc(O)cc1)[N-]OCc1ccccc1 ZINC000729283764 1026407487 /nfs/dbraw/zinc/40/74/87/1026407487.db2.gz QIELPQSDYWXWQC-UHFFFAOYSA-N -1 3 313.397 3.743 20 0 DHADHM CC(C)(CO)[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000513288147 1026471065 /nfs/dbraw/zinc/47/10/65/1026471065.db2.gz YMWUHVMQMCUWGE-QGZVFWFLSA-N -1 3 319.832 3.895 20 0 DHADHM O=C(OC[C@H]1CCCS1)c1cc2cc(Cl)sc2[n-]1 ZINC000810602502 1026804491 /nfs/dbraw/zinc/80/44/91/1026804491.db2.gz RAGDYDFHBVQLQA-MRVPVSSYSA-N -1 3 301.820 3.935 20 0 DHADHM C[C@@H](C[C@H]1CCOC1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810750748 1026845193 /nfs/dbraw/zinc/84/51/93/1026845193.db2.gz PNOBWIIQQVJFHZ-DTWKUNHWSA-N -1 3 313.806 3.855 20 0 DHADHM CCc1cnc(COC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811394194 1026992129 /nfs/dbraw/zinc/99/21/29/1026992129.db2.gz ZWXGJGUKOAPNPW-UHFFFAOYSA-N -1 3 310.762 3.790 20 0 DHADHM O=C([O-])c1c(F)cc(CNCc2cccc(C3CC3)c2)cc1F ZINC000421815477 1027064452 /nfs/dbraw/zinc/06/44/52/1027064452.db2.gz MQAYATIIRPCVTI-UHFFFAOYSA-N -1 3 317.335 3.830 20 0 DHADHM CCCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000362245800 1027111408 /nfs/dbraw/zinc/11/14/08/1027111408.db2.gz UXNZMNOJZIDQEI-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(F)cc1 ZINC000362260307 1027119577 /nfs/dbraw/zinc/11/95/77/1027119577.db2.gz HFKLEKFKURWXBA-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C([N-]c1cscc1Cl)c1ncsc1Br ZINC001133070868 1027127081 /nfs/dbraw/zinc/12/70/81/1027127081.db2.gz PAGATSRGBTZDCD-UHFFFAOYSA-N -1 3 323.624 3.873 20 0 DHADHM COC(=O)N(C)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000157425430 1027298974 /nfs/dbraw/zinc/29/89/74/1027298974.db2.gz GTOWOUBFDNHWBW-UHFFFAOYSA-N -1 3 320.776 3.860 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2c(F)ccc([O-])c2F)s1 ZINC000295510082 1027308907 /nfs/dbraw/zinc/30/89/07/1027308907.db2.gz ZCIYUGOBYUQSOL-VIFPVBQESA-N -1 3 312.385 3.937 20 0 DHADHM [O-]c1cccnc1CSc1nnc(CCC2CCCCC2)o1 ZINC000574748500 1027423403 /nfs/dbraw/zinc/42/34/03/1027423403.db2.gz LKNVBLDLLPJOQI-UHFFFAOYSA-N -1 3 319.430 3.975 20 0 DHADHM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000812798862 1027425693 /nfs/dbraw/zinc/42/56/93/1027425693.db2.gz NBGQCQGHKSHXHH-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM COCc1nocc1C(=O)[N-]c1ccccc1SC(C)C ZINC000362883183 1027426513 /nfs/dbraw/zinc/42/65/13/1027426513.db2.gz PPRBHQQPHFNNEI-UHFFFAOYSA-N -1 3 306.387 3.574 20 0 DHADHM [O-]c1cccnc1CSc1nccn1-c1cccc(Cl)c1 ZINC000562440399 1027438713 /nfs/dbraw/zinc/43/87/13/1027438713.db2.gz PRYJMMMDFFZOPK-UHFFFAOYSA-N -1 3 317.801 3.919 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc(OC(C)C)c2)cc1 ZINC000747832065 1027495680 /nfs/dbraw/zinc/49/56/80/1027495680.db2.gz KHYMEUBYLKPFNQ-UHFFFAOYSA-N -1 3 313.397 3.573 20 0 DHADHM O=c1cc(CNc2cccc(Cl)c2Cl)nc(C2CC2)[n-]1 ZINC000578728720 1028229254 /nfs/dbraw/zinc/22/92/54/1028229254.db2.gz ADOSHCCARBYWIR-UHFFFAOYSA-N -1 3 310.184 3.979 20 0 DHADHM O=C(NC1CCC2(CCOCC2)CC1)c1cc([O-])ccc1Cl ZINC000368229508 1028321841 /nfs/dbraw/zinc/32/18/41/1028321841.db2.gz SWDSYDKSBOCCGQ-UHFFFAOYSA-N -1 3 323.820 3.515 20 0 DHADHM COC1(CCOC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000815239303 1028444857 /nfs/dbraw/zinc/44/48/57/1028444857.db2.gz MIEBHRCDZJNHAX-UHFFFAOYSA-N -1 3 306.383 3.723 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@@]1(C)C(=O)[O-] ZINC000565112593 1028542613 /nfs/dbraw/zinc/54/26/13/1028542613.db2.gz VMJUGRPBMXBQPH-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528567547 1028545200 /nfs/dbraw/zinc/54/52/00/1028545200.db2.gz HUFPLCXOLCZFRZ-SNVBAGLBSA-N -1 3 312.207 3.559 20 0 DHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000189031420 1028547083 /nfs/dbraw/zinc/54/70/83/1028547083.db2.gz MOGGZDUMCLNUOK-AWEZNQCLSA-N -1 3 317.772 3.729 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627298043 1028749143 /nfs/dbraw/zinc/74/91/43/1028749143.db2.gz ZQRIVNYAFGUTOB-OAHLLOKOSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(C(=O)NCCc2ccc(Cl)cc2)c([O-])c1 ZINC001135436281 1028762076 /nfs/dbraw/zinc/76/20/76/1028762076.db2.gz BKOHBTPZUGVBII-UHFFFAOYSA-N -1 3 303.789 3.581 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)C1=Cc2ccccc2OC1 ZINC000190181832 1028831519 /nfs/dbraw/zinc/83/15/19/1028831519.db2.gz CECCRORJQFFPLB-UHFFFAOYSA-N -1 3 321.785 3.515 20 0 DHADHM CSc1cccnc1[N-]C(=O)c1cccc(OC(C)(C)C)n1 ZINC000628003747 1028856950 /nfs/dbraw/zinc/85/69/50/1028856950.db2.gz PMFNUBPCKAFFOA-UHFFFAOYSA-N -1 3 317.414 3.628 20 0 DHADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567247939 1028862443 /nfs/dbraw/zinc/86/24/43/1028862443.db2.gz WRGBTUTXXBBKPT-UHFFFAOYSA-N -1 3 311.385 3.744 20 0 DHADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000816768991 1028996236 /nfs/dbraw/zinc/99/62/36/1028996236.db2.gz PLLQOJKBAWSRAR-UHFFFAOYSA-N -1 3 319.575 3.943 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1conc1C(F)(F)F ZINC000816832094 1029012669 /nfs/dbraw/zinc/01/26/69/1029012669.db2.gz PLWIDKRDAIOUSI-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM Cc1ccc2nc([N-]C(=O)c3c(F)ccnc3F)sc2c1 ZINC000816831517 1029021286 /nfs/dbraw/zinc/02/12/86/1029021286.db2.gz WLSHYOMJISKHCQ-UHFFFAOYSA-N -1 3 305.309 3.530 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000816979608 1029049005 /nfs/dbraw/zinc/04/90/05/1029049005.db2.gz SMLPRAOQINSVIQ-SSDOTTSWSA-N -1 3 311.250 3.691 20 0 DHADHM Cc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)c([O-])c1C ZINC001135796143 1029058058 /nfs/dbraw/zinc/05/80/58/1029058058.db2.gz AITLBFXGPVQSON-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1nc2ccccc2s1 ZINC001135812229 1029078364 /nfs/dbraw/zinc/07/83/64/1029078364.db2.gz DFHZIJDBBGANRP-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM O=C([N-][C@H](c1ccccc1)C(F)F)C(F)(F)c1ccccc1 ZINC000817224028 1029090944 /nfs/dbraw/zinc/09/09/44/1029090944.db2.gz HIGDLTNGNCTYNW-CYBMUJFWSA-N -1 3 311.278 3.901 20 0 DHADHM CCCCC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001135842671 1029095030 /nfs/dbraw/zinc/09/50/30/1029095030.db2.gz ZGTVAJWTOVDQJU-OAHLLOKOSA-N -1 3 315.421 3.658 20 0 DHADHM CCCCC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001135842671 1029095042 /nfs/dbraw/zinc/09/50/42/1029095042.db2.gz ZGTVAJWTOVDQJU-OAHLLOKOSA-N -1 3 315.421 3.658 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N(CC1CC1)C1CCC1 ZINC000529230795 1029160948 /nfs/dbraw/zinc/16/09/48/1029160948.db2.gz DTDDMPBJNXCBHC-UHFFFAOYSA-N -1 3 324.218 3.559 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](CC)O1 ZINC000817640383 1029222712 /nfs/dbraw/zinc/22/27/12/1029222712.db2.gz QHRFJZXJAYTCMB-BETUJISGSA-N -1 3 319.426 3.637 20 0 DHADHM CC(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1C ZINC000155396925 1029231770 /nfs/dbraw/zinc/23/17/70/1029231770.db2.gz WYAONXYZMPHZPR-UHFFFAOYSA-N -1 3 304.777 3.925 20 0 DHADHM CC(C)(NCc1c([O-])ccc(Cl)c1F)c1nccs1 ZINC000191095848 1029285228 /nfs/dbraw/zinc/28/52/28/1029285228.db2.gz BAQYPCXOBLQASP-UHFFFAOYSA-N -1 3 300.786 3.666 20 0 DHADHM CC(C)C[C@@H](NC(=O)c1ccc(N)cc1[O-])c1cccs1 ZINC000817924608 1029275827 /nfs/dbraw/zinc/27/58/27/1029275827.db2.gz UFKMGQAKVDUWRX-CYBMUJFWSA-N -1 3 304.415 3.553 20 0 DHADHM CCCCN(Cc1ccccc1F)C(=O)c1ccc(N)cc1[O-] ZINC000817933496 1029278390 /nfs/dbraw/zinc/27/83/90/1029278390.db2.gz HEGNGGQDGICNFQ-UHFFFAOYSA-N -1 3 316.376 3.556 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@@H]2CCC[C@@H]21 ZINC000629373121 1029318272 /nfs/dbraw/zinc/31/82/72/1029318272.db2.gz GLQJNIRMHJFQRT-YRGRVCCFSA-N -1 3 311.784 3.554 20 0 DHADHM CN(Cc1cccc(C#N)c1)Cc1c([O-])ccc(Cl)c1F ZINC000191226576 1029324411 /nfs/dbraw/zinc/32/44/11/1029324411.db2.gz UUQVAYWZNAKOOJ-UHFFFAOYSA-N -1 3 304.752 3.688 20 0 DHADHM O=C([N-]c1cc(Cl)cc(Cl)c1)c1nnc(-c2ccco2)o1 ZINC001136103224 1029328124 /nfs/dbraw/zinc/32/81/24/1029328124.db2.gz WUBXANQUPWDNNN-UHFFFAOYSA-N -1 3 324.123 3.889 20 0 DHADHM CC(=O)c1ccc(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)cc1[O-] ZINC000412356433 1029415831 /nfs/dbraw/zinc/41/58/31/1029415831.db2.gz CECIPOURLCRCLN-PXNSSMCTSA-N -1 3 323.392 3.518 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1[n-]cnc1C(F)(F)F ZINC000820389716 1029718463 /nfs/dbraw/zinc/71/84/63/1029718463.db2.gz VNSISMLVHUGANZ-UHFFFAOYSA-N -1 3 309.291 3.560 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1nc[n-]c1C(F)(F)F ZINC000820389716 1029718471 /nfs/dbraw/zinc/71/84/71/1029718471.db2.gz VNSISMLVHUGANZ-UHFFFAOYSA-N -1 3 309.291 3.560 20 0 DHADHM Cc1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000530595066 1029917564 /nfs/dbraw/zinc/91/75/64/1029917564.db2.gz IIBMXVSHMDQESP-UHFFFAOYSA-N -1 3 324.174 3.627 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000794853109 1029935515 /nfs/dbraw/zinc/93/55/15/1029935515.db2.gz LBMPMJAIGIILPF-ZDUSSCGKSA-N -1 3 309.381 3.663 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(F)c1 ZINC000530670050 1029955161 /nfs/dbraw/zinc/95/51/61/1029955161.db2.gz DDCQQNDLKXJGRH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCOc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468513944 1029984400 /nfs/dbraw/zinc/98/44/00/1029984400.db2.gz ABMCUTCJNAKFFI-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM C[C@@H](COC(=O)c1cccc2[n-]c(C(F)F)nc21)C(F)(F)F ZINC000924080501 1030013502 /nfs/dbraw/zinc/01/35/02/1030013502.db2.gz WXHPVCKLJNBTTE-LURJTMIESA-N -1 3 322.233 3.856 20 0 DHADHM O=C(OCCCCCF)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085583 1030016548 /nfs/dbraw/zinc/01/65/48/1030016548.db2.gz LMLZQZWTBXNCGW-UHFFFAOYSA-N -1 3 300.280 3.797 20 0 DHADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000357397136 1030035369 /nfs/dbraw/zinc/03/53/69/1030035369.db2.gz GKXGOYGPXBIQSZ-SAPNQHFASA-N -1 3 318.376 3.562 20 0 DHADHM COc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000357408822 1030039944 /nfs/dbraw/zinc/03/99/44/1030039944.db2.gz JRYRDJFZKCWJEH-LGMDPLHJSA-N -1 3 318.376 3.562 20 0 DHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000530897167 1030061754 /nfs/dbraw/zinc/06/17/54/1030061754.db2.gz LHXMAQTXHPMCMD-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM O=C([N-]OCc1ccccc1)C1(Cc2cccc(F)c2)CCC1 ZINC000772862107 1030127197 /nfs/dbraw/zinc/12/71/97/1030127197.db2.gz JYRQZOITRYKRRT-UHFFFAOYSA-N -1 3 313.372 3.787 20 0 DHADHM O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000357648441 1030138333 /nfs/dbraw/zinc/13/83/33/1030138333.db2.gz BCQNMUDBNBKTOC-GXTWGEPZSA-N -1 3 301.773 3.579 20 0 DHADHM Cc1noc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1C ZINC000358335666 1030445153 /nfs/dbraw/zinc/44/51/53/1030445153.db2.gz NBISHNQMDFEKHY-UHFFFAOYSA-N -1 3 317.732 3.852 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824153865 1030485296 /nfs/dbraw/zinc/48/52/96/1030485296.db2.gz ANPFZCXVRXNISA-CQSZACIVSA-N -1 3 321.465 3.839 20 0 DHADHM Cc1cc2c(CC(=O)[N-]OC/C=C/Cl)csc2s1 ZINC000868469435 1030586534 /nfs/dbraw/zinc/58/65/34/1030586534.db2.gz KGKRDIJMTKCGIM-NSCUHMNNSA-N -1 3 301.820 3.614 20 0 DHADHM CCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(OC)c1 ZINC001212013766 1030658516 /nfs/dbraw/zinc/65/85/16/1030658516.db2.gz IXHCDQZHLBAKFM-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000247845502 1030706149 /nfs/dbraw/zinc/70/61/49/1030706149.db2.gz DGHDTCQBLDQGQJ-NEPJUHHUSA-N -1 3 322.286 3.548 20 0 DHADHM C[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)c1cc([O-])cc(F)c1 ZINC000926891151 1030973630 /nfs/dbraw/zinc/97/36/30/1030973630.db2.gz XTGACBGXUIDBQT-UDTVLSCZSA-N -1 3 305.324 3.654 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc2)n1 ZINC000253547915 1030974802 /nfs/dbraw/zinc/97/48/02/1030974802.db2.gz FCBXUSFIFOPKHF-QLPKVWCKSA-N -1 3 323.396 3.532 20 0 DHADHM CCc1nc(C)c(C[N-]c2nc(-c3cccc(Cl)c3)no2)o1 ZINC000292421410 1030991915 /nfs/dbraw/zinc/99/19/15/1030991915.db2.gz WLTACBVNJHQBGK-UHFFFAOYSA-N -1 3 318.764 3.861 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc([S@](C)=O)cc1 ZINC000292744145 1031152443 /nfs/dbraw/zinc/15/24/43/1031152443.db2.gz APFOTVMMRDFBBB-FIKIJFGZSA-N -1 3 323.845 3.634 20 0 DHADHM Cc1ccc2c(CC(=O)[N-]OCCCC(F)(F)F)coc2c1 ZINC000871210038 1031160238 /nfs/dbraw/zinc/16/02/38/1031160238.db2.gz QSCCIYBNCTZZSC-UHFFFAOYSA-N -1 3 315.291 3.674 20 0 DHADHM O=C(CCc1cccc(Cl)c1)[N-]OCCCC(F)(F)F ZINC000871210726 1031161224 /nfs/dbraw/zinc/16/12/24/1031161224.db2.gz XOOXDNRPXCYOTG-UHFFFAOYSA-N -1 3 309.715 3.663 20 0 DHADHM O=C(CCCc1ccc(F)cc1)[N-]OCCCC(F)(F)F ZINC000871217157 1031165029 /nfs/dbraw/zinc/16/50/29/1031165029.db2.gz MCQITBSALDJLFO-UHFFFAOYSA-N -1 3 307.287 3.539 20 0 DHADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCCCC(F)(F)F ZINC000871216202 1031165053 /nfs/dbraw/zinc/16/50/53/1031165053.db2.gz SVPIVJYTPDQHBX-UHFFFAOYSA-N -1 3 315.335 3.961 20 0 DHADHM O=C(C[C@@H]1CCc2ccccc2C1)[N-]OCCCC(F)(F)F ZINC000871213690 1031165191 /nfs/dbraw/zinc/16/51/91/1031165191.db2.gz VGQOCYJVIZMAFT-GFCCVEGCSA-N -1 3 315.335 3.572 20 0 DHADHM Cc1ccc(-c2ccc(CN3CCC[C@@H]3C(=O)[O-])s2)cc1 ZINC000263390556 1031188181 /nfs/dbraw/zinc/18/81/81/1031188181.db2.gz FCLNJUIWCGQGEV-OAHLLOKOSA-N -1 3 301.411 3.773 20 0 DHADHM Cc1cc(F)c(CNC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000263476926 1031199345 /nfs/dbraw/zinc/19/93/45/1031199345.db2.gz JOLLYQQVMMWXRT-LLVKDONJSA-N -1 3 301.789 3.624 20 0 DHADHM CC(C)(C)SCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000871647426 1031255328 /nfs/dbraw/zinc/25/53/28/1031255328.db2.gz IUQDQTFNZVHYDV-UHFFFAOYSA-N -1 3 314.476 3.645 20 0 DHADHM Cc1cc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)oc2cc1C ZINC000079988430 1031268438 /nfs/dbraw/zinc/26/84/38/1031268438.db2.gz KWBFMGOOZRCBLJ-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000928383308 1031292197 /nfs/dbraw/zinc/29/21/97/1031292197.db2.gz HVMNELSYDIHJIM-DYVFJYSZSA-N -1 3 311.381 3.506 20 0 DHADHM CC(C)(C)C1CCC(CNCc2nc(CC(=O)[O-])cs2)CC1 ZINC000871881369 1031370697 /nfs/dbraw/zinc/37/06/97/1031370697.db2.gz RMVWBVSLZRTNKO-UHFFFAOYSA-N -1 3 324.490 3.712 20 0 DHADHM Cc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)c([O-])c1 ZINC000360589074 1031481811 /nfs/dbraw/zinc/48/18/11/1031481811.db2.gz XNYPPHOMIVCZEY-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM COc1ccc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)c(OC)c1 ZINC000872089599 1031485721 /nfs/dbraw/zinc/48/57/21/1031485721.db2.gz ALRFEBOUTIAYLT-RYUDHWBXSA-N -1 3 319.376 3.960 20 0 DHADHM COc1ccc([C@H](N[C@H](C)c2cccc([O-])c2F)C2CC2)cn1 ZINC000872090918 1031488307 /nfs/dbraw/zinc/48/83/07/1031488307.db2.gz FWFVIZYVLVNLGQ-ADLMAVQZSA-N -1 3 316.376 3.737 20 0 DHADHM CCC(CC)c1cc(CNCc2c(F)ccc([O-])c2F)on1 ZINC000293562956 1031518891 /nfs/dbraw/zinc/51/88/91/1031518891.db2.gz IGEOKKGYNZHZMT-UHFFFAOYSA-N -1 3 310.344 3.852 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccncc1 ZINC000293735760 1031595090 /nfs/dbraw/zinc/59/50/90/1031595090.db2.gz ATNCKTXEAXZWLP-OAHLLOKOSA-N -1 3 316.788 3.664 20 0 DHADHM CCCCC[C@@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000929891522 1031639842 /nfs/dbraw/zinc/63/98/42/1031639842.db2.gz QWNLFCCTKRISCT-SNVBAGLBSA-N -1 3 322.355 3.505 20 0 DHADHM CC(C)[C@@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CC12CCC2 ZINC000561000012 1031672035 /nfs/dbraw/zinc/67/20/35/1031672035.db2.gz ZQKCPLURJVRYEM-SFHVURJKSA-N -1 3 319.420 3.891 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC001144554766 1031701106 /nfs/dbraw/zinc/70/11/06/1031701106.db2.gz GZRRPXHRVFGXQO-LLVKDONJSA-N -1 3 307.315 3.799 20 0 DHADHM CC[C@@H](Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1C ZINC001171201829 1031763665 /nfs/dbraw/zinc/76/36/65/1031763665.db2.gz UDWRKUSZNAEJMS-OAHLLOKOSA-N -1 3 323.400 3.747 20 0 DHADHM CC[C@@H](Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1C ZINC001171201829 1031763677 /nfs/dbraw/zinc/76/36/77/1031763677.db2.gz UDWRKUSZNAEJMS-OAHLLOKOSA-N -1 3 323.400 3.747 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1-c1ccncc1 ZINC001144631034 1031780845 /nfs/dbraw/zinc/78/08/45/1031780845.db2.gz COGUDVPCKRRMKE-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM [O-]c1cc(F)c(CN2CCC3(CC(F)(F)C3)CC2)cc1F ZINC001144647189 1031788646 /nfs/dbraw/zinc/78/86/46/1031788646.db2.gz CCFUDOCPNLPFHQ-UHFFFAOYSA-N -1 3 303.299 3.682 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC001144658153 1031813029 /nfs/dbraw/zinc/81/30/29/1031813029.db2.gz SRPYTVFQXVGMAX-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OCCCC(F)(F)F ZINC000842029747 1031956099 /nfs/dbraw/zinc/95/60/99/1031956099.db2.gz JIMURKKCBVEAHM-UHFFFAOYSA-N -1 3 311.303 3.773 20 0 DHADHM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc2sccc2c([O-])c1 ZINC000846375269 1031968810 /nfs/dbraw/zinc/96/88/10/1031968810.db2.gz NXDHMOVNBKCKBI-OLZOCXBDSA-N -1 3 319.426 3.637 20 0 DHADHM CC(C)O[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000846368467 1031976827 /nfs/dbraw/zinc/97/68/27/1031976827.db2.gz YTFITQVOBSTLTE-CYBMUJFWSA-N -1 3 319.426 3.637 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(N3CCCC3)cc2)c1F ZINC000294426090 1031990506 /nfs/dbraw/zinc/99/05/06/1031990506.db2.gz XARRCARQONYJBJ-UHFFFAOYSA-N -1 3 304.340 3.883 20 0 DHADHM CC(C)[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000877928679 1033519259 /nfs/dbraw/zinc/51/92/59/1033519259.db2.gz DWWMWSCGUSZAIG-SFHVURJKSA-N -1 3 323.396 3.929 20 0 DHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@H]1CCc2ccccc21 ZINC000877950486 1033526431 /nfs/dbraw/zinc/52/64/31/1033526431.db2.gz AJSKFAUTHXSORL-INIZCTEOSA-N -1 3 321.380 3.562 20 0 DHADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(C)cc1 ZINC000878004928 1033550949 /nfs/dbraw/zinc/55/09/49/1033550949.db2.gz DZXPMLFUKOHZNF-UHFFFAOYSA-N -1 3 323.396 3.773 20 0 DHADHM [O-]c1cncc(-c2nc(-c3cccc(-c4ccncc4)c3)no2)c1 ZINC001212709968 1033577363 /nfs/dbraw/zinc/57/73/63/1033577363.db2.gz XTDFTEQOGQXUOI-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM COc1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1[O-] ZINC000153488787 1033582857 /nfs/dbraw/zinc/58/28/57/1033582857.db2.gz YAPUOPSQWLNKLB-UHFFFAOYSA-N -1 3 315.369 3.791 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1C1CC1 ZINC000479534411 1033796734 /nfs/dbraw/zinc/79/67/34/1033796734.db2.gz WMAULOJAIFRVPO-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM C[C@H]1C[C@@H]1N(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878709632 1033802608 /nfs/dbraw/zinc/80/26/08/1033802608.db2.gz PWFKVTYTTMFRGV-BBRMVZONSA-N -1 3 321.380 3.857 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(C(F)(F)F)CCCC2)c1F ZINC000862536548 1033879637 /nfs/dbraw/zinc/87/96/37/1033879637.db2.gz OZUVRSRNHMGHEU-UHFFFAOYSA-N -1 3 309.278 3.883 20 0 DHADHM CCOC(=O)c1c([N-]c2cccnc2)onc1-c1ccccc1 ZINC001173855579 1033888871 /nfs/dbraw/zinc/88/88/71/1033888871.db2.gz NFONFNGDLHHCGV-UHFFFAOYSA-N -1 3 309.325 3.657 20 0 DHADHM CC1(C)Cc2ccccc2N1Cc1nnc(-c2ccccc2[O-])o1 ZINC000879057771 1033908111 /nfs/dbraw/zinc/90/81/11/1033908111.db2.gz ACVZYNVEUUMDLV-UHFFFAOYSA-N -1 3 321.380 3.784 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(F)c2C)CC)n1 ZINC000863189787 1034016664 /nfs/dbraw/zinc/01/66/64/1034016664.db2.gz GWEXIKBQTJGYBA-FMIVXFBMSA-N -1 3 301.365 3.928 20 0 DHADHM CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175551981 1034025782 /nfs/dbraw/zinc/02/57/82/1034025782.db2.gz UGOIZMQNCSGHEB-NEPJUHHUSA-N -1 3 308.397 3.640 20 0 DHADHM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299814366 1034108662 /nfs/dbraw/zinc/10/86/62/1034108662.db2.gz SUWSGIHMZNZTTJ-PIGZYNQJSA-N -1 3 321.421 3.520 20 0 DHADHM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299814366 1034108669 /nfs/dbraw/zinc/10/86/69/1034108669.db2.gz SUWSGIHMZNZTTJ-PIGZYNQJSA-N -1 3 321.421 3.520 20 0 DHADHM Fc1ccc2nc([N-]c3cnn(Cc4ccccc4)c3)oc2c1 ZINC001174131741 1034153890 /nfs/dbraw/zinc/15/38/90/1034153890.db2.gz QNAOPLDWKFVPRO-UHFFFAOYSA-N -1 3 308.316 3.955 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000177921791 1034198156 /nfs/dbraw/zinc/19/81/56/1034198156.db2.gz QHIAHBOEYDTBRF-PXAZEXFGSA-N -1 3 315.392 3.822 20 0 DHADHM CCCCNC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174191620 1034210868 /nfs/dbraw/zinc/21/08/68/1034210868.db2.gz YOTAYCBEXKEVRV-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM COc1nccc2c(NCc3c(F)ccc([O-])c3F)cccc21 ZINC000864015681 1034255635 /nfs/dbraw/zinc/25/56/35/1034255635.db2.gz RXPNUSWWGBOGHK-UHFFFAOYSA-N -1 3 316.307 3.839 20 0 DHADHM COc1ccccc1/C(C)=C/C(=O)Nc1cccc([O-])c1F ZINC000128390360 1034316965 /nfs/dbraw/zinc/31/69/65/1034316965.db2.gz LIGNITBNXGUKCN-ZHACJKMWSA-N -1 3 301.317 3.582 20 0 DHADHM Cc1cc(Cl)c(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000120020089 1034335634 /nfs/dbraw/zinc/33/56/34/1034335634.db2.gz LZWDNVORNGNPGP-GFCCVEGCSA-N -1 3 319.188 3.882 20 0 DHADHM Cc1cc(Cl)c(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000120020089 1034335649 /nfs/dbraw/zinc/33/56/49/1034335649.db2.gz LZWDNVORNGNPGP-GFCCVEGCSA-N -1 3 319.188 3.882 20 0 DHADHM O=C([O-])CCCCCCNCc1ccsc1Br ZINC000864503899 1034368105 /nfs/dbraw/zinc/36/81/05/1034368105.db2.gz JMTZKIJPKILUME-UHFFFAOYSA-N -1 3 320.252 3.635 20 0 DHADHM CC(C)=CC[C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000864527894 1034377346 /nfs/dbraw/zinc/37/73/46/1034377346.db2.gz HYXJCYUWPMBBSJ-SECBINFHSA-N -1 3 308.230 3.954 20 0 DHADHM [O-]c1cccc(Nc2ccc3cn[nH]c3c2)c1Br ZINC001174500630 1034458791 /nfs/dbraw/zinc/45/87/91/1034458791.db2.gz LGVGZXCWMMWNIK-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ccccc2SC)no1 ZINC000184647904 1034489873 /nfs/dbraw/zinc/48/98/73/1034489873.db2.gz SJOQKUCQNKKUTL-UHFFFAOYSA-N -1 3 308.428 3.902 20 0 DHADHM COc1cc(C(=O)[O-])ccc1Nc1ccnc(C(C)(C)C)c1 ZINC001174674378 1034540937 /nfs/dbraw/zinc/54/09/37/1034540937.db2.gz WYNQUMWZDPDGSH-UHFFFAOYSA-N -1 3 300.358 3.830 20 0 DHADHM [O-]c1cc(F)cc(CNc2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000185536725 1034557483 /nfs/dbraw/zinc/55/74/83/1034557483.db2.gz OFRQHWPHAYXTRV-SFHVURJKSA-N -1 3 317.360 3.701 20 0 DHADHM CC(C)(C)NC(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185586973 1034560228 /nfs/dbraw/zinc/56/02/28/1034560228.db2.gz ZLXDNJVNYZUYPQ-UHFFFAOYSA-N -1 3 316.376 3.672 20 0 DHADHM Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1C(C)C ZINC000899350208 1034597596 /nfs/dbraw/zinc/59/75/96/1034597596.db2.gz WVVSVOSFJOBNEP-ZDUSSCGKSA-N -1 3 314.307 3.622 20 0 DHADHM COc1ccc(C(F)(F)F)cc1Nc1ncc(F)cc1[O-] ZINC001174775179 1034600289 /nfs/dbraw/zinc/60/02/89/1034600289.db2.gz JXUPVMAQGOQVEC-UHFFFAOYSA-N -1 3 302.227 3.697 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn3ccnc3s2)CC)n1 ZINC000899373602 1034618259 /nfs/dbraw/zinc/61/82/59/1034618259.db2.gz VIEQQJBFDJLQRA-FLIBITNWSA-N -1 3 314.414 3.795 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(OC)c2F)CC)n1 ZINC000899371005 1034619156 /nfs/dbraw/zinc/61/91/56/1034619156.db2.gz CQODCRMVQWCJJD-LUAWRHEFSA-N -1 3 317.364 3.628 20 0 DHADHM CC(C)OC(=O)c1cccc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001174914395 1034678191 /nfs/dbraw/zinc/67/81/91/1034678191.db2.gz ZZWHNTILOPNDGY-UHFFFAOYSA-N -1 3 303.362 3.676 20 0 DHADHM CCOc1c(Cl)cc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000555463024 1034722088 /nfs/dbraw/zinc/72/20/88/1034722088.db2.gz VZJSKBOOECATLX-AATRIKPKSA-N -1 3 320.776 3.722 20 0 DHADHM CC(C)n1ccnc1SCc1nnc(-c2ccccc2[O-])o1 ZINC000882088155 1034740813 /nfs/dbraw/zinc/74/08/13/1034740813.db2.gz BOFNFRSSOZXKCY-UHFFFAOYSA-N -1 3 316.386 3.512 20 0 DHADHM COC(=O)c1c(Cl)cccc1Nc1c(F)cc([O-])cc1F ZINC001175099770 1034782071 /nfs/dbraw/zinc/78/20/71/1034782071.db2.gz RZFAWNRKJBWKSK-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)c1c(C)ccc(Nc2c(F)cc([O-])cc2F)c1F ZINC001175102974 1034784409 /nfs/dbraw/zinc/78/44/09/1034784409.db2.gz QDVXIULAGQITPN-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM CCOC(=O)Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175096841 1034811931 /nfs/dbraw/zinc/81/19/31/1034811931.db2.gz KEKZSXNULYYLAM-UHFFFAOYSA-N -1 3 308.284 3.982 20 0 DHADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000192736232 1034817205 /nfs/dbraw/zinc/81/72/05/1034817205.db2.gz IWFFYMQMVZMYEQ-IINYFYTJSA-N -1 3 307.344 3.571 20 0 DHADHM O=c1[nH]cc(-c2ccncc2)cc1Nc1c(F)ccc([O-])c1F ZINC001175263922 1034911673 /nfs/dbraw/zinc/91/16/73/1034911673.db2.gz XPABAAZMNFZMHK-UHFFFAOYSA-N -1 3 315.279 3.577 20 0 DHADHM COC(=O)c1oc2ccccc2c1Nc1c(F)ccc([O-])c1F ZINC001175264195 1034912456 /nfs/dbraw/zinc/91/24/56/1034912456.db2.gz UJADWNGFRVJEDU-UHFFFAOYSA-N -1 3 319.263 3.947 20 0 DHADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)c(Cl)s1 ZINC001175262227 1034912536 /nfs/dbraw/zinc/91/25/36/1034912536.db2.gz AIVXASHJLSEUOG-UHFFFAOYSA-N -1 3 319.716 3.916 20 0 DHADHM CC(C)c1cc2ncc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175265133 1034913595 /nfs/dbraw/zinc/91/35/95/1034913595.db2.gz CCOBTZDRIIMWCE-UHFFFAOYSA-N -1 3 304.300 3.580 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc3c(C4CCC4)cnn3c2)c1F ZINC001175266249 1034913933 /nfs/dbraw/zinc/91/39/33/1034913933.db2.gz RZNQXASRTLXPDN-UHFFFAOYSA-N -1 3 316.311 3.724 20 0 DHADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(Cl)c1 ZINC001175269850 1034915770 /nfs/dbraw/zinc/91/57/70/1034915770.db2.gz OEGDBSMOUMEXHM-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)[C@@H](C)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269844 1034916064 /nfs/dbraw/zinc/91/60/64/1034916064.db2.gz NXFDKMPDWLBIOM-VIFPVBQESA-N -1 3 307.296 3.691 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c2nccc(C)c2c1 ZINC000555886423 1034950936 /nfs/dbraw/zinc/95/09/36/1034950936.db2.gz ZEUMKZFOBOLDSJ-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM O=c1cc(Nc2ccc3ncccc3c2)[n-]n1-c1ccccc1 ZINC001175375705 1034959793 /nfs/dbraw/zinc/95/97/93/1034959793.db2.gz TWNYHYGVZKDRTF-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM CCCc1nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2o1 ZINC001175429298 1034978056 /nfs/dbraw/zinc/97/80/56/1034978056.db2.gz HAEGJJOHSDANQD-UHFFFAOYSA-N -1 3 320.356 3.704 20 0 DHADHM FC(F)(F)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429231 1034978939 /nfs/dbraw/zinc/97/89/39/1034978939.db2.gz SSUWIQIOFPUFJI-UHFFFAOYSA-N -1 3 305.263 3.629 20 0 DHADHM Clc1ncc2ccccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175425144 1034979321 /nfs/dbraw/zinc/97/93/21/1034979321.db2.gz OHAJHAQXJYHAEW-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1cc(Cl)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430225 1034979878 /nfs/dbraw/zinc/97/98/78/1034979878.db2.gz LFKKCCNBFRDDOL-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)cc1Cl ZINC001175432884 1034980133 /nfs/dbraw/zinc/98/01/33/1034980133.db2.gz NNCDPMLXUBUDMB-UHFFFAOYSA-N -1 3 303.728 3.711 20 0 DHADHM Clc1ccnc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001175431523 1034980208 /nfs/dbraw/zinc/98/02/08/1034980208.db2.gz HDHYXOYXLUGXKA-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1coc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432054 1034981271 /nfs/dbraw/zinc/98/12/71/1034981271.db2.gz RLACJVGTITYJSL-UHFFFAOYSA-N -1 3 303.325 3.870 20 0 DHADHM Cc1cc(F)cc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432646 1034981388 /nfs/dbraw/zinc/98/13/88/1034981388.db2.gz KNOHAZGUFQJEAU-UHFFFAOYSA-N -1 3 303.728 3.711 20 0 DHADHM CSc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001175649913 1035060504 /nfs/dbraw/zinc/06/05/04/1035060504.db2.gz BVJXIJUBUIIKRM-UHFFFAOYSA-N -1 3 302.186 3.955 20 0 DHADHM Cc1n[nH]c2ccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc12 ZINC001175694110 1035069248 /nfs/dbraw/zinc/06/92/48/1035069248.db2.gz NJHMOMCFACWGCY-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC000148263375 1035085303 /nfs/dbraw/zinc/08/53/03/1035085303.db2.gz UFWQOUIPZJDMET-UHFFFAOYSA-N -1 3 324.833 3.846 20 0 DHADHM [O-]c1cccc2sc(Nc3ccnn3Cc3ccccc3)nc21 ZINC001176701692 1035324308 /nfs/dbraw/zinc/32/43/08/1035324308.db2.gz STQMGWZMRYZPBA-UHFFFAOYSA-N -1 3 322.393 3.990 20 0 DHADHM [O-]c1cc(F)c(F)cc1Nc1ccnn1Cc1ccccc1 ZINC001176707842 1035325909 /nfs/dbraw/zinc/32/59/09/1035325909.db2.gz RTPVTKSVBAJQFD-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CCC[C@H](CCCCNCc1nc2ccccc2o1)C(=O)[O-] ZINC000904019066 1035341001 /nfs/dbraw/zinc/34/10/01/1035341001.db2.gz XOKLYYSFHLYHJD-CYBMUJFWSA-N -1 3 304.390 3.589 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000904035459 1035348354 /nfs/dbraw/zinc/34/83/54/1035348354.db2.gz DFINTKBKPMPJNE-MWLCHTKSSA-N -1 3 300.185 3.502 20 0 DHADHM Cc1ccc2cc(CNCc3cccc(CCC(=O)[O-])c3)[nH]c2c1 ZINC000904026813 1035353248 /nfs/dbraw/zinc/35/32/48/1035353248.db2.gz ZYOGTKVBYWQXCK-UHFFFAOYSA-N -1 3 322.408 3.783 20 0 DHADHM Cc1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc1F ZINC000904337857 1035399286 /nfs/dbraw/zinc/39/92/86/1035399286.db2.gz HFNBQXKHWLMJET-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3ccon3)c2)c1[O-] ZINC001178761389 1035446524 /nfs/dbraw/zinc/44/65/24/1035446524.db2.gz VHAKSXXHOIOWGU-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM [O-]c1cc(-c2cc(C3CC3)nn2[C@@H]2CCCCO2)ccc1F ZINC000904780993 1035452510 /nfs/dbraw/zinc/45/25/10/1035452510.db2.gz CMVRBHCEUOGIGZ-KRWDZBQOSA-N -1 3 302.349 3.971 20 0 DHADHM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183629 1035466564 /nfs/dbraw/zinc/46/65/64/1035466564.db2.gz WDKJUUWTHHGWGF-NXEZZACHSA-N -1 3 320.359 3.607 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1CC12CCCC2 ZINC000485114064 1035474314 /nfs/dbraw/zinc/47/43/14/1035474314.db2.gz PNYLYBVKRXAXPX-LBPRGKRZSA-N -1 3 322.368 3.737 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1CC12CCCC2 ZINC000485114063 1035474391 /nfs/dbraw/zinc/47/43/91/1035474391.db2.gz PNYLYBVKRXAXPX-GFCCVEGCSA-N -1 3 322.368 3.737 20 0 DHADHM Cc1ccccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485112378 1035476199 /nfs/dbraw/zinc/47/61/99/1035476199.db2.gz GAJNSWPPOKRCBE-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1ccccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485112378 1035476201 /nfs/dbraw/zinc/47/62/01/1035476201.db2.gz GAJNSWPPOKRCBE-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM O=C(NCc1ccc(Cl)nc1)c1cc2sccc2c([O-])c1 ZINC000773829968 1035507401 /nfs/dbraw/zinc/50/74/01/1035507401.db2.gz IFBWOQWLQDDTMZ-UHFFFAOYSA-N -1 3 318.785 3.585 20 0 DHADHM CC(C)c1cccc(CC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000457672146 1035584358 /nfs/dbraw/zinc/58/43/58/1035584358.db2.gz OXAWUMSYTIQMHN-UHFFFAOYSA-N -1 3 301.361 3.514 20 0 DHADHM CCOc1nc(C(=O)[N-]c2onc(C3CCCCC3)c2C)co1 ZINC000905688184 1035607250 /nfs/dbraw/zinc/60/72/50/1035607250.db2.gz VWYALSMPNNGMKU-UHFFFAOYSA-N -1 3 319.361 3.670 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ncccc2C)C(C)(C)C)c([O-])c1 ZINC001180184780 1035607783 /nfs/dbraw/zinc/60/77/83/1035607783.db2.gz RPSPZBJUWHHVAV-QGZVFWFLSA-N -1 3 312.413 3.921 20 0 DHADHM O=C(Nc1cnccc1C1CC1)c1ccc([O-])cc1C(F)(F)F ZINC001193735805 1035709181 /nfs/dbraw/zinc/70/91/81/1035709181.db2.gz SAMIXTHTYCUSRI-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193732966 1035709938 /nfs/dbraw/zinc/70/99/38/1035709938.db2.gz CNHATTGTTBTJAP-UWVGGRQHSA-N -1 3 301.308 3.814 20 0 DHADHM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([O-])cc1C(F)(F)F ZINC001193734042 1035710816 /nfs/dbraw/zinc/71/08/16/1035710816.db2.gz PODOKRZVXMDSPD-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758112 1035728733 /nfs/dbraw/zinc/72/87/33/1035728733.db2.gz MARZGYZUFNDRRL-VHSXEESVSA-N -1 3 303.324 3.966 20 0 DHADHM CCCCCOC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC001193769853 1035737408 /nfs/dbraw/zinc/73/74/08/1035737408.db2.gz PNCZJXVLDVPICB-UHFFFAOYSA-N -1 3 315.753 3.571 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000906096899 1035758134 /nfs/dbraw/zinc/75/81/34/1035758134.db2.gz XJVXUUYUKFOCLW-UHFFFAOYSA-N -1 3 322.368 3.900 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(F)c2ccccc12 ZINC001193937935 1035764144 /nfs/dbraw/zinc/76/41/44/1035764144.db2.gz LHRCZVPRZKGWLO-UHFFFAOYSA-N -1 3 311.312 3.951 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(c2ccc(Cl)cc2Cl)CC1 ZINC001180854529 1035774818 /nfs/dbraw/zinc/77/48/18/1035774818.db2.gz VLTBHHIYCDZISC-UHFFFAOYSA-N -1 3 323.179 3.764 20 0 DHADHM CCC[C@H](C)CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001194232644 1035863701 /nfs/dbraw/zinc/86/37/01/1035863701.db2.gz AKQXFRGWPYLCGR-VIFPVBQESA-N -1 3 309.884 3.815 20 0 DHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000195451609 1035898570 /nfs/dbraw/zinc/89/85/70/1035898570.db2.gz WATRYHZLHXKMQY-UHFFFAOYSA-N -1 3 315.316 3.873 20 0 DHADHM CC(C)[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001181493609 1035926083 /nfs/dbraw/zinc/92/60/83/1035926083.db2.gz NWBVJBFZKABKPP-NSHDSACASA-N -1 3 307.390 3.578 20 0 DHADHM O=C(Nc1cc(=O)[n-]c(C2CC2)n1)Oc1ccc2ccccc2c1 ZINC001194628231 1035970598 /nfs/dbraw/zinc/97/05/98/1035970598.db2.gz JWOBMSBLVPHNPZ-UHFFFAOYSA-N -1 3 321.336 3.824 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cnccc3C)n[n-]2)o1 ZINC000773945147 1035997384 /nfs/dbraw/zinc/99/73/84/1035997384.db2.gz PDWZOVKUAFHWMK-GFCCVEGCSA-N -1 3 311.341 3.600 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cnccc3C)[n-]n2)o1 ZINC000773945147 1035997393 /nfs/dbraw/zinc/99/73/93/1035997393.db2.gz PDWZOVKUAFHWMK-GFCCVEGCSA-N -1 3 311.341 3.600 20 0 DHADHM CC[C@@H](C)COC(=O)Nc1c([O-])cccc1Br ZINC001194800644 1036034704 /nfs/dbraw/zinc/03/47/04/1036034704.db2.gz MPTNFKVCKXTGFN-MRVPVSSYSA-N -1 3 302.168 3.749 20 0 DHADHM O=c1cc(C=Cc2ccc(OC(F)F)cc2)nc(C2CC2)[n-]1 ZINC000486077671 1036112179 /nfs/dbraw/zinc/11/21/79/1036112179.db2.gz RRSRYHKAPNLCFJ-LZCJLJQNSA-N -1 3 304.296 3.831 20 0 DHADHM [O-]c1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1F ZINC000775635272 1036125852 /nfs/dbraw/zinc/12/58/52/1036125852.db2.gz UZZDKFMSOMKUDR-MRXNPFEDSA-N -1 3 314.385 3.867 20 0 DHADHM CC(C=Cc1cc(=O)[n-]c(-c2ccncc2)n1)=Cc1ccccc1 ZINC000486106298 1036132018 /nfs/dbraw/zinc/13/20/18/1036132018.db2.gz ZSBIQVXIWXWRNO-PHJBAXJRSA-N -1 3 315.376 3.949 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1F ZINC000642323801 1036243010 /nfs/dbraw/zinc/24/30/10/1036243010.db2.gz SXTXNIGHUXZZMH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229339184 1036262594 /nfs/dbraw/zinc/26/25/94/1036262594.db2.gz YVOUGWHKJQITJA-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM CCOC([O-])=NC(=S)Nc1ccccc1OC1CCCCC1 ZINC001195490805 1036268136 /nfs/dbraw/zinc/26/81/36/1036268136.db2.gz LYPTXMXBMCSAKP-UHFFFAOYSA-N -1 3 322.430 3.841 20 0 DHADHM CCOC(=O)N=C([S-])Nc1ccccc1OC1CCCCC1 ZINC001195490805 1036268145 /nfs/dbraw/zinc/26/81/45/1036268145.db2.gz LYPTXMXBMCSAKP-UHFFFAOYSA-N -1 3 322.430 3.841 20 0 DHADHM CCOC(=O)[N-]C(=S)Nc1ccccc1OC1CCCCC1 ZINC001195490805 1036268152 /nfs/dbraw/zinc/26/81/52/1036268152.db2.gz LYPTXMXBMCSAKP-UHFFFAOYSA-N -1 3 322.430 3.841 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)c1ccccc1C ZINC001182467179 1036328463 /nfs/dbraw/zinc/32/84/63/1036328463.db2.gz LUQNLBDRVPOULE-UHFFFAOYSA-N -1 3 311.381 3.820 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)[C@]12CC[C@H](O1)c1ccccc12 ZINC001182485346 1036373450 /nfs/dbraw/zinc/37/34/50/1036373450.db2.gz ADTZJNYMCSPPES-DOTOQJQBSA-N -1 3 315.756 3.745 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCOC2(CCCC2)C1 ZINC000908415784 1036405258 /nfs/dbraw/zinc/40/52/58/1036405258.db2.gz YGAMFDGUXCBMOG-NSHDSACASA-N -1 3 309.793 3.724 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182716513 1036434737 /nfs/dbraw/zinc/43/47/37/1036434737.db2.gz QSGHIBJQURNZHA-LLVKDONJSA-N -1 3 324.355 3.756 20 0 DHADHM Cc1cc(F)ccc1NC(=S)Nc1ncc([O-])cc1Cl ZINC001196095958 1036441963 /nfs/dbraw/zinc/44/19/63/1036441963.db2.gz JUCJIHSFBRPJHJ-UHFFFAOYSA-N -1 3 311.769 3.697 20 0 DHADHM C[C@H](C(=O)Nc1cncc([O-])c1)c1ccc(F)c2ccccc21 ZINC001183502968 1036611170 /nfs/dbraw/zinc/61/11/70/1036611170.db2.gz RXASJBZVNVWWHW-NSHDSACASA-N -1 3 310.328 3.822 20 0 DHADHM CCSc1ccccc1CC(=O)[N-]OCCCC(F)(F)F ZINC000913727820 1036643088 /nfs/dbraw/zinc/64/30/88/1036643088.db2.gz YMXZBNDUZZECTH-UHFFFAOYSA-N -1 3 321.364 3.731 20 0 DHADHM [O-]c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1F ZINC001197580672 1036797008 /nfs/dbraw/zinc/79/70/08/1036797008.db2.gz JNSGCAHZTHPCMF-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CC(C)(C)c1csc(NC(=O)[N-]OCc2ccccc2)n1 ZINC000915312870 1036802863 /nfs/dbraw/zinc/80/28/63/1036802863.db2.gz HAAFPDKMDDPXKR-UHFFFAOYSA-N -1 3 305.403 3.694 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cccc(F)c1 ZINC001197644985 1036824860 /nfs/dbraw/zinc/82/48/60/1036824860.db2.gz IFVRXVPVSUYFIM-UHFFFAOYSA-N -1 3 304.346 3.543 20 0 DHADHM COc1cc(Cl)ccc1-c1noc(-c2ccccc2[O-])n1 ZINC000234818430 1036836353 /nfs/dbraw/zinc/83/63/53/1036836353.db2.gz ZDBBHFPXIUVGNN-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)c1ccccc1Cl ZINC001184479742 1036861283 /nfs/dbraw/zinc/86/12/83/1036861283.db2.gz ZFASJZJYQJTQCP-JTQLQIEISA-N -1 3 317.772 3.990 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000762697674 1036913924 /nfs/dbraw/zinc/91/39/24/1036913924.db2.gz OUTHZVUQPMKTJM-UHFFFAOYSA-N -1 3 315.369 3.700 20 0 DHADHM COc1ccc(C)nc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000350161671 1036946213 /nfs/dbraw/zinc/94/62/13/1036946213.db2.gz PAIVYKBHFWYEFJ-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM O=C(Nc1cc(F)c(F)cc1F)c1cc([O-])ccc1Cl ZINC000236557441 1036963720 /nfs/dbraw/zinc/96/37/20/1036963720.db2.gz MHMHNDYBYSMCCM-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC)c(C)c1 ZINC000488308075 1036965019 /nfs/dbraw/zinc/96/50/19/1036965019.db2.gz MPNOICMINWGPPS-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM O=C(NCCc1ccccc1)Nc1c([O-])cccc1C(F)(F)F ZINC001184941388 1036971588 /nfs/dbraw/zinc/97/15/88/1036971588.db2.gz SMNLGTQKGSSHEN-UHFFFAOYSA-N -1 3 324.302 3.775 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(C2CCC2)ccn1 ZINC001185316069 1037104377 /nfs/dbraw/zinc/10/43/77/1037104377.db2.gz QOVPTMIAIQDCPK-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM O=S(=O)([N-]c1c(O)cccc1Cl)c1ccc2occc2c1 ZINC001198860848 1037148896 /nfs/dbraw/zinc/14/88/96/1037148896.db2.gz FFVSKOCLHDVGFC-UHFFFAOYSA-N -1 3 323.757 3.593 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1COc2ccc(Cl)cc21 ZINC000488832768 1037160907 /nfs/dbraw/zinc/16/09/07/1037160907.db2.gz SMLSPNJZNABMJJ-NSHDSACASA-N -1 3 324.163 3.814 20 0 DHADHM CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153430317 1037169205 /nfs/dbraw/zinc/16/92/05/1037169205.db2.gz RJXNIRZRMRQEFU-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C12CCC(F)(CC1)CC2 ZINC001185531697 1037170675 /nfs/dbraw/zinc/17/06/75/1037170675.db2.gz HSEIJUWIPLXACR-UHFFFAOYSA-N -1 3 305.349 3.596 20 0 DHADHM COc1ccc(CNC(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001185546752 1037188478 /nfs/dbraw/zinc/18/84/78/1037188478.db2.gz VSXIAJZHRBDMLB-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1C ZINC000489001059 1037223888 /nfs/dbraw/zinc/22/38/88/1037223888.db2.gz HHUGJEPENWWUQB-GIPNMCIBSA-N -1 3 319.829 3.582 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c1[O-] ZINC000912041671 1037279462 /nfs/dbraw/zinc/27/94/62/1037279462.db2.gz MGJKUGKGGGXHGY-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM O=C(CC1CCC(c2ccccc2)CC1)[N-]OCc1cccnc1 ZINC000152507477 1037381338 /nfs/dbraw/zinc/38/13/38/1037381338.db2.gz AQHIYHCOTLGBIB-UHFFFAOYSA-N -1 3 324.424 3.994 20 0 DHADHM CC(C)C(=O)Nc1cccc(OC(=O)c2cc3occc3[n-]2)c1 ZINC000152571046 1037427854 /nfs/dbraw/zinc/42/78/54/1037427854.db2.gz ZNKCGWMFQXOQRZ-UHFFFAOYSA-N -1 3 312.325 3.575 20 0 DHADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1c([O-])cccc1Cl ZINC000493410943 1037433757 /nfs/dbraw/zinc/43/37/57/1037433757.db2.gz APMCPAHKEJDPTI-FNORWQNLSA-N -1 3 309.152 3.746 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccc(Cl)s2)n1 ZINC000763210746 1037485820 /nfs/dbraw/zinc/48/58/20/1037485820.db2.gz NQTMSEABGRUJAJ-UHFFFAOYSA-N -1 3 300.836 3.893 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2coc(-c3ccccc3)n2)n1 ZINC000763213885 1037490259 /nfs/dbraw/zinc/49/02/59/1037490259.db2.gz TWQXQNMRSCNNMQ-UHFFFAOYSA-N -1 3 313.382 3.579 20 0 DHADHM O=c1ccnc(C=Cc2cc(C(F)(F)F)ccc2Cl)[n-]1 ZINC000152662798 1037490260 /nfs/dbraw/zinc/49/02/60/1037490260.db2.gz FORCCGKSODPFLW-DAFODLJHSA-N -1 3 300.667 3.613 20 0 DHADHM Cc1c(Nc2cc(F)c([O-])c(F)c2)cnn1-c1ccccc1 ZINC001201375819 1037639214 /nfs/dbraw/zinc/63/92/14/1037639214.db2.gz VCPOSYXUSNLZOA-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM Cc1ccc(C(C)C)c(O)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188173724 1037836217 /nfs/dbraw/zinc/83/62/17/1037836217.db2.gz SSSYQZLHCAYXMB-UHFFFAOYSA-N -1 3 303.333 3.921 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ncsc1C(F)(F)F ZINC001188214549 1037852712 /nfs/dbraw/zinc/85/27/12/1037852712.db2.gz HGHCNBHYQPWXCH-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CC[C@H](C)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000124079431 1037882420 /nfs/dbraw/zinc/88/24/20/1037882420.db2.gz ZYIWPWIPEYABMQ-JTQLQIEISA-N -1 3 302.399 3.949 20 0 DHADHM O=C(Nc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC001201955587 1037951403 /nfs/dbraw/zinc/95/14/03/1037951403.db2.gz UIUOVBTVCOKHDE-UHFFFAOYSA-N -1 3 307.147 3.799 20 0 DHADHM Cc1ccc(Cl)c(Cl)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188616672 1037935450 /nfs/dbraw/zinc/93/54/50/1037935450.db2.gz FJFKAKKHICSXAT-UHFFFAOYSA-N -1 3 306.170 3.696 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC001188648132 1037943510 /nfs/dbraw/zinc/94/35/10/1037943510.db2.gz DQFRFCOTFPSAPA-UHFFFAOYSA-N -1 3 313.353 3.518 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccc(F)cc2)CC1 ZINC000153458167 1037946733 /nfs/dbraw/zinc/94/67/33/1037946733.db2.gz HTYQACITDDCLOR-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCC1(Cc2ccccc2F)CC1 ZINC001188659607 1037946959 /nfs/dbraw/zinc/94/69/59/1037946959.db2.gz ULOWJTPFHOSWQY-UHFFFAOYSA-N -1 3 313.372 3.592 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C)nc2)CC2CC2)c1 ZINC000649012295 1038110648 /nfs/dbraw/zinc/11/06/48/1038110648.db2.gz VZRYOOKULGAFGP-UHFFFAOYSA-N -1 3 324.424 3.710 20 0 DHADHM Cc1ccc(F)c(OCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000571484936 1038147365 /nfs/dbraw/zinc/14/73/65/1038147365.db2.gz HPLBBXQPSWCLTK-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCCc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)s1 ZINC001189512278 1038163004 /nfs/dbraw/zinc/16/30/04/1038163004.db2.gz FTFDHUQXUAMREK-UHFFFAOYSA-N -1 3 303.383 3.861 20 0 DHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1csc(Cl)c1 ZINC001189782613 1038215825 /nfs/dbraw/zinc/21/58/25/1038215825.db2.gz WLSZYFZROAMQNA-UHFFFAOYSA-N -1 3 323.773 3.622 20 0 DHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc2c(c1)N=NC2 ZINC001189830664 1038224461 /nfs/dbraw/zinc/22/44/61/1038224461.db2.gz DDGCFQWTCMWOHB-UHFFFAOYSA-N -1 3 323.324 3.504 20 0 DHADHM Cc1ccc(C=O)c(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001190038918 1038254749 /nfs/dbraw/zinc/25/47/49/1038254749.db2.gz VHWOZKUEGCQQKA-UHFFFAOYSA-N -1 3 320.348 3.549 20 0 DHADHM O=S(=O)([N-]c1c(O)cccc1Cl)c1ccc(C2CC2)cc1 ZINC001190500708 1038330190 /nfs/dbraw/zinc/33/01/90/1038330190.db2.gz XQBHOQRPRWBMLV-UHFFFAOYSA-N -1 3 323.801 3.724 20 0 DHADHM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191536065 1038517012 /nfs/dbraw/zinc/51/70/12/1038517012.db2.gz WAHYYWTULKMNGW-UHFFFAOYSA-N -1 3 315.410 3.545 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000669336617 1038520309 /nfs/dbraw/zinc/52/03/09/1038520309.db2.gz NODCFOOQHHAERK-UHFFFAOYSA-N -1 3 319.348 3.529 20 0 DHADHM COC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322476 1038630739 /nfs/dbraw/zinc/63/07/39/1038630739.db2.gz AAPFCDAITCVFHL-INIZCTEOSA-N -1 3 319.445 3.719 20 0 DHADHM CCCCCSc1ncccc1C(=O)Nc1cncc([O-])c1 ZINC001192580952 1038680450 /nfs/dbraw/zinc/68/04/50/1038680450.db2.gz BFTIRSHWLAKFPA-UHFFFAOYSA-N -1 3 317.414 3.717 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC3(CC=CC3)[C@@H]2c2ccccc2)n1 ZINC000646118309 1038875471 /nfs/dbraw/zinc/87/54/71/1038875471.db2.gz ILWUXWVSXIJVRG-IBGZPJMESA-N -1 3 321.424 3.638 20 0 DHADHM CC1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)CC1 ZINC000058204786 1038990883 /nfs/dbraw/zinc/99/08/83/1038990883.db2.gz MYKXICICYGNFMM-UHFFFAOYSA-N -1 3 308.495 3.753 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000573807833 1039073837 /nfs/dbraw/zinc/07/38/37/1039073837.db2.gz CJNDLDXGVWFNKT-ACJLOTCBSA-N -1 3 314.385 3.589 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1 ZINC000604605582 1039507000 /nfs/dbraw/zinc/50/70/00/1039507000.db2.gz ICRWIRCGKZPABN-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2occc2s1 ZINC000605451086 1039686848 /nfs/dbraw/zinc/68/68/48/1039686848.db2.gz DAGSANZIIGSSBV-UHFFFAOYSA-N -1 3 317.351 3.858 20 0 DHADHM CC(C)Oc1ccccc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000226610473 1039730185 /nfs/dbraw/zinc/73/01/85/1039730185.db2.gz GOPQJYHRUVEFKA-SECBINFHSA-N -1 3 307.287 3.551 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000606628503 1039929669 /nfs/dbraw/zinc/92/96/69/1039929669.db2.gz KJQKXYDFSNXJON-RBSFLKMASA-N -1 3 320.408 3.689 20 0 DHADHM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000606690131 1039956943 /nfs/dbraw/zinc/95/69/43/1039956943.db2.gz MBZDTCQTWPJWMZ-OCCSQVGLSA-N -1 3 308.397 3.547 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC2(CCCCC2)C1 ZINC000606719306 1039960924 /nfs/dbraw/zinc/96/09/24/1039960924.db2.gz GASHVJTYHXKTGR-UHFFFAOYSA-N -1 3 320.408 3.787 20 0 DHADHM O=C(OCCCOc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000063841471 1040546398 /nfs/dbraw/zinc/54/63/98/1040546398.db2.gz MSCOETIGWDKVIO-UHFFFAOYSA-N -1 3 306.745 3.672 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC(SC)CC2)c([O-])c1 ZINC000601692153 1040727137 /nfs/dbraw/zinc/72/71/37/1040727137.db2.gz UFJTXSHOZSYYGN-UHFFFAOYSA-N -1 3 323.458 3.539 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2cccc(F)c2)no1 ZINC000534211547 1040751437 /nfs/dbraw/zinc/75/14/37/1040751437.db2.gz UMDAXAXPIURBCN-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000534452018 1040856719 /nfs/dbraw/zinc/85/67/19/1040856719.db2.gz MBAPHKDLERAASM-KRWDZBQOSA-N -1 3 319.351 3.726 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(C2CCC2)CCC1 ZINC000457158097 1041034794 /nfs/dbraw/zinc/03/47/94/1041034794.db2.gz JQZCUZWEJVKOPY-UHFFFAOYSA-N -1 3 319.420 3.941 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000092429902 185317948 /nfs/dbraw/zinc/31/79/48/185317948.db2.gz PSHLHKLHSSNVPX-ZBFHGGJFSA-N -1 3 315.413 3.536 20 0 DHADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000424951010 334941317 /nfs/dbraw/zinc/94/13/17/334941317.db2.gz HYOGAVZOIPHVPU-SNVBAGLBSA-N -1 3 311.303 3.545 20 0 DHADHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3[O-])c12 ZINC000097006454 185396405 /nfs/dbraw/zinc/39/64/05/185396405.db2.gz GZQJPLFLCXXXRJ-UHFFFAOYSA-N -1 3 311.341 3.613 20 0 DHADHM CC(C)c1cnc(CNC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)s1 ZINC000417556533 334974278 /nfs/dbraw/zinc/97/42/78/334974278.db2.gz HFOLICSEYKPXMC-LRDDRELGSA-N -1 3 310.463 3.637 20 0 DHADHM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000417560084 334980441 /nfs/dbraw/zinc/98/04/41/334980441.db2.gz JLGFXQFLKQGQSA-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM Cc1sc2[n-]c(COC(C)C)nc(=O)c2c1-c1ccccc1 ZINC000080715632 192185106 /nfs/dbraw/zinc/18/51/06/192185106.db2.gz YZVLBXGMKHEFQL-UHFFFAOYSA-N -1 3 314.410 3.885 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1ccc(F)c(Cl)c1Cl ZINC000417579248 334997546 /nfs/dbraw/zinc/99/75/46/334997546.db2.gz PFCKVFZBUZMIDT-IINYFYTJSA-N -1 3 320.191 3.866 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000417585616 335000533 /nfs/dbraw/zinc/00/05/33/335000533.db2.gz ZMZFCLNCQXGLRK-BDJLRTHQSA-N -1 3 310.463 3.564 20 0 DHADHM CCCCc1oc2ccccc2c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417611138 335010832 /nfs/dbraw/zinc/01/08/32/335010832.db2.gz AMXRHHDUFYSCEO-UONOGXRCSA-N -1 3 313.397 3.894 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1 ZINC000094124588 335010033 /nfs/dbraw/zinc/01/00/33/335010033.db2.gz XQPDURCOVFSRDN-LLVKDONJSA-N -1 3 318.442 3.861 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CNCC1(C(=O)[O-])CC1 ZINC000417613931 335011685 /nfs/dbraw/zinc/01/16/85/335011685.db2.gz RDKAWGCFUGRAJY-UHFFFAOYSA-N -1 3 313.850 3.795 20 0 DHADHM CCCc1ccc(C(=O)CCC(=O)Nc2ccccc2[O-])cc1 ZINC000016482971 182046799 /nfs/dbraw/zinc/04/67/99/182046799.db2.gz CWBXRNSGZIPVBB-UHFFFAOYSA-N -1 3 311.381 3.946 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(F)cc(F)c1 ZINC000018702783 182102669 /nfs/dbraw/zinc/10/26/69/182102669.db2.gz IWYCFEHIFRBUIE-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM O=C([O-])c1c(F)cc(CNCc2ccc(C3CC3)cc2)cc1F ZINC000417637298 335022174 /nfs/dbraw/zinc/02/21/74/335022174.db2.gz BSTQDIVZQUDKDB-UHFFFAOYSA-N -1 3 317.335 3.830 20 0 DHADHM COc1ccccc1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000021141437 182266553 /nfs/dbraw/zinc/26/65/53/182266553.db2.gz ZXNHLUGPRAUGPO-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CCc1nnc([N-]C(=O)c2cc(Cl)sc2Cl)s1 ZINC000022398808 182320983 /nfs/dbraw/zinc/32/09/83/182320983.db2.gz LBOTWZGJMDJZFL-UHFFFAOYSA-N -1 3 308.215 3.721 20 0 DHADHM C[C@H]([C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417640997 335025820 /nfs/dbraw/zinc/02/58/20/335025820.db2.gz OAFPBNUDZCXGBH-YVEFUNNKSA-N -1 3 315.369 3.661 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c([O-])c1 ZINC000320460751 335029118 /nfs/dbraw/zinc/02/91/18/335029118.db2.gz PFPSVNINPAPKJU-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CC[C@H](CCNCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000417648539 335030083 /nfs/dbraw/zinc/03/00/83/335030083.db2.gz JQEHNIKXJBBGHN-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000135403208 335033526 /nfs/dbraw/zinc/03/35/26/335033526.db2.gz HSNXXXWDMLHMOY-NXEZZACHSA-N -1 3 317.307 3.708 20 0 DHADHM CSCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000273087421 130088365 /nfs/dbraw/zinc/08/83/65/130088365.db2.gz FWLCAYKCTSIHDM-UHFFFAOYSA-N -1 3 318.442 3.594 20 0 DHADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1OC(C)C ZINC000273623958 130146550 /nfs/dbraw/zinc/14/65/50/130146550.db2.gz AEJFTNOOTLQQBP-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(C(F)F)ccc1Cl ZINC000274787792 130262526 /nfs/dbraw/zinc/26/25/26/130262526.db2.gz BHJFNTDSSFMGFT-NSHDSACASA-N -1 3 320.723 3.857 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(C(F)F)ccc1Cl ZINC000274787792 130262528 /nfs/dbraw/zinc/26/25/28/130262528.db2.gz BHJFNTDSSFMGFT-NSHDSACASA-N -1 3 320.723 3.857 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000286027087 131215991 /nfs/dbraw/zinc/21/59/91/131215991.db2.gz GEVAREIOOKFSGF-NXHRZFHOSA-N -1 3 323.392 3.506 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000286027078 131216014 /nfs/dbraw/zinc/21/60/14/131216014.db2.gz GEVAREIOOKFSGF-JQHSSLGASA-N -1 3 323.392 3.506 20 0 DHADHM Cc1oc(C(C)C)nc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000286096731 131219560 /nfs/dbraw/zinc/21/95/60/131219560.db2.gz OHFFTENDFRNYDC-LLVKDONJSA-N -1 3 314.385 3.966 20 0 DHADHM O=C(Cc1cccc2cccnc21)Nc1cc(Cl)ccc1[O-] ZINC000340234116 131242693 /nfs/dbraw/zinc/24/26/93/131242693.db2.gz ASIDQDDAWWHFGA-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM CC(C)CON=C([O-])Nc1cccc(Cl)c1OCC(F)F ZINC000287648166 131292085 /nfs/dbraw/zinc/29/20/85/131292085.db2.gz QGQDLZMKWAGMHG-UHFFFAOYSA-N -1 3 322.739 3.693 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287648166 131292087 /nfs/dbraw/zinc/29/20/87/131292087.db2.gz QGQDLZMKWAGMHG-UHFFFAOYSA-N -1 3 322.739 3.693 20 0 DHADHM COc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)c(C)c1OC ZINC000288547789 131329870 /nfs/dbraw/zinc/32/98/70/131329870.db2.gz XMGWBSBRFVJQOC-LBPRGKRZSA-N -1 3 319.376 3.708 20 0 DHADHM CCOc1cc(CN[C@H](C)c2cnn(CC)c2)cc(Cl)c1[O-] ZINC000297306797 132008470 /nfs/dbraw/zinc/00/84/70/132008470.db2.gz BPGZHCVQKFYRGY-LLVKDONJSA-N -1 3 323.824 3.512 20 0 DHADHM CCOc1cc(CNCc2c(C)onc2CC)cc(Cl)c1[O-] ZINC000297330968 132010262 /nfs/dbraw/zinc/01/02/62/132010262.db2.gz DKVHCFJTMXSCMV-UHFFFAOYSA-N -1 3 324.808 3.593 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2scnc2C(F)(F)F)s1 ZINC000297641236 132027141 /nfs/dbraw/zinc/02/71/41/132027141.db2.gz JLVWKWIZVSVAEW-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM Cc1cccc(C(C)(C)NCc2nc(=O)c3sccc3[n-]2)c1 ZINC000299037090 132087356 /nfs/dbraw/zinc/08/73/56/132087356.db2.gz RPFBWHJRBGRICC-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM Cc1c([O-])ccc2c(CNC(C)(C)c3ccccc3)cc(=O)oc12 ZINC000299562785 132111560 /nfs/dbraw/zinc/11/15/60/132111560.db2.gz AGYLDTQGPDROKL-UHFFFAOYSA-N -1 3 323.392 3.832 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1c(Cl)cccc1Cl ZINC000417714438 335070220 /nfs/dbraw/zinc/07/02/20/335070220.db2.gz ZVORZMSBHSAWRD-ZDUSSCGKSA-N -1 3 302.201 3.726 20 0 DHADHM Cc1ccc(C(=O)NCc2ccccc2COC(C)C)c([O-])c1 ZINC000519966585 331509798 /nfs/dbraw/zinc/50/97/98/331509798.db2.gz JRUNIPGEKDGPJK-UHFFFAOYSA-N -1 3 313.397 3.556 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(F)c(F)c1 ZINC000180317114 331566107 /nfs/dbraw/zinc/56/61/07/331566107.db2.gz ODIMKUBYDGMCKE-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccccc2)cn1 ZINC000584032315 331591309 /nfs/dbraw/zinc/59/13/09/331591309.db2.gz GICHHZHJWHPYJY-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM O=C([O-])C1CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000262036583 331879663 /nfs/dbraw/zinc/87/96/63/331879663.db2.gz ZTCSYDYJJSDNAZ-UHFFFAOYSA-N -1 3 316.426 3.543 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)C ZINC000518482413 332063719 /nfs/dbraw/zinc/06/37/19/332063719.db2.gz DSYIYZYEABZKTL-LBPRGKRZSA-N -1 3 307.818 3.582 20 0 DHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1c([O-])cccc1O ZINC000092123582 332119725 /nfs/dbraw/zinc/11/97/25/332119725.db2.gz OKTLYYXRJYLKSC-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM CCCCN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCC[C@H](C)C1 ZINC000569522417 332123477 /nfs/dbraw/zinc/12/34/77/332123477.db2.gz MNFUEFXZAVZUCK-UONOGXRCSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCC[C@H](C)C1 ZINC000569522417 332123478 /nfs/dbraw/zinc/12/34/78/332123478.db2.gz MNFUEFXZAVZUCK-UONOGXRCSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCC[C@H](C)C1 ZINC000569522417 332123479 /nfs/dbraw/zinc/12/34/79/332123479.db2.gz MNFUEFXZAVZUCK-UONOGXRCSA-N -1 3 314.433 3.779 20 0 DHADHM CC[C@@H](C)[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000426782808 332152531 /nfs/dbraw/zinc/15/25/31/332152531.db2.gz HRQPPXZXFSSGNQ-MLGOLLRUSA-N -1 3 303.358 3.661 20 0 DHADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000426819325 332157578 /nfs/dbraw/zinc/15/75/78/332157578.db2.gz VKEQIRZTXVBYLB-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1ncccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426823990 332157961 /nfs/dbraw/zinc/15/79/61/332157961.db2.gz KYTUFIGBZDWMNS-SFHVURJKSA-N -1 3 312.413 3.819 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cccc(Br)c1F ZINC000142714512 332162920 /nfs/dbraw/zinc/16/29/20/332162920.db2.gz DDZDFLBYZHKFMU-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1CC1CCCCC1 ZINC000145927062 332191203 /nfs/dbraw/zinc/19/12/03/332191203.db2.gz KCNAJRKCMAIROG-HNNXBMFYSA-N -1 3 312.417 3.533 20 0 DHADHM O=C([O-])c1cnoc1CN1CCC[C@H]1c1cccc2ccccc21 ZINC000564661051 332263590 /nfs/dbraw/zinc/26/35/90/332263590.db2.gz MBBIDFODCOSTNU-KRWDZBQOSA-N -1 3 322.364 3.863 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560611786 332368347 /nfs/dbraw/zinc/36/83/47/332368347.db2.gz IJMIAIFIBCBESL-JGVFFNPUSA-N -1 3 307.699 3.963 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c([O-])c1 ZINC000560661262 332374937 /nfs/dbraw/zinc/37/49/37/332374937.db2.gz GVBGWGMOLWKHNP-NWANDNLSSA-N -1 3 303.402 3.946 20 0 DHADHM COc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1 ZINC000582127330 332388827 /nfs/dbraw/zinc/38/88/27/332388827.db2.gz QRGIPHVSFNTSQB-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM CCn1ncc(C(=O)Nc2ccc(C)cc2[O-])c1-c1ccccc1 ZINC000427765494 332510699 /nfs/dbraw/zinc/51/06/99/332510699.db2.gz MVPYIFSVJMFIHO-UHFFFAOYSA-N -1 3 321.380 3.836 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(C3CCSCC3)no1)CCCC2 ZINC000562479060 332597530 /nfs/dbraw/zinc/59/75/30/332597530.db2.gz VFMHPGCGPDJWAP-UHFFFAOYSA-N -1 3 316.426 3.932 20 0 DHADHM CC(C)(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448741849 332664218 /nfs/dbraw/zinc/66/42/18/332664218.db2.gz XUHKIYJYMKAMDG-SFHVURJKSA-N -1 3 315.388 3.977 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000572733788 332678522 /nfs/dbraw/zinc/67/85/22/332678522.db2.gz MJJZORYLDDDFRY-SFYZADRCSA-N -1 3 307.699 3.963 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531155364 333035278 /nfs/dbraw/zinc/03/52/78/333035278.db2.gz YRCOMEJVHIXHJR-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM Cc1oc2ccc(NC(=O)c3cccc4nn[n-]c43)cc2c1C ZINC000188866110 333057605 /nfs/dbraw/zinc/05/76/05/333057605.db2.gz HAGJCUKPYKBCAS-UHFFFAOYSA-N -1 3 306.325 3.573 20 0 DHADHM Cc1oc2ccc(NC(=O)c3cccc4[n-]nnc43)cc2c1C ZINC000188866110 333057606 /nfs/dbraw/zinc/05/76/06/333057606.db2.gz HAGJCUKPYKBCAS-UHFFFAOYSA-N -1 3 306.325 3.573 20 0 DHADHM Cc1oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2c1C ZINC000188866110 333057607 /nfs/dbraw/zinc/05/76/07/333057607.db2.gz HAGJCUKPYKBCAS-UHFFFAOYSA-N -1 3 306.325 3.573 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])nn1-c1ccc(C)cc1 ZINC000183442668 333058051 /nfs/dbraw/zinc/05/80/51/333058051.db2.gz YFKPXPCJTGWOQB-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H](C)c2ncon2)c([O-])c(C(C)C)c1 ZINC000182502154 335119136 /nfs/dbraw/zinc/11/91/36/335119136.db2.gz JJXUFHLYSUDFFL-LLVKDONJSA-N -1 3 317.389 3.513 20 0 DHADHM Clc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000522684024 333165033 /nfs/dbraw/zinc/16/50/33/333165033.db2.gz KCTPOSYJEJOWMD-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cccc(Cl)c1F ZINC000228246941 333168327 /nfs/dbraw/zinc/16/83/27/333168327.db2.gz QEDNRVJVCJYWDL-GHMZBOCLSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1ccc(CC)c(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000582089660 333208813 /nfs/dbraw/zinc/20/88/13/333208813.db2.gz PTCPJVATRCUCPE-UHFFFAOYSA-N -1 3 323.396 3.949 20 0 DHADHM CCc1ccc(CC)c(NC(=O)c2n[n-]c3c2cccc3OC)c1 ZINC000582089660 333208814 /nfs/dbraw/zinc/20/88/14/333208814.db2.gz PTCPJVATRCUCPE-UHFFFAOYSA-N -1 3 323.396 3.949 20 0 DHADHM COc1ccc(NCc2cc([O-])cc(F)c2)cc1OC(C)C ZINC000185627994 333210948 /nfs/dbraw/zinc/21/09/48/333210948.db2.gz ISPJTJUFUUGSDH-UHFFFAOYSA-N -1 3 305.349 3.939 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3c(F)cccc3Cl)n2)cc1 ZINC000020432758 333311010 /nfs/dbraw/zinc/31/10/10/333311010.db2.gz UIGGQTZJGQQENI-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000020432782 333322541 /nfs/dbraw/zinc/32/25/41/333322541.db2.gz QDQWHHPCZNXYFO-UHFFFAOYSA-N -1 3 317.142 3.872 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3ccsc3)C[C@@H]2C)c1[O-] ZINC000364638189 333325579 /nfs/dbraw/zinc/32/55/79/333325579.db2.gz MGWYVIQGMNSNNF-GXTWGEPZSA-N -1 3 301.411 3.780 20 0 DHADHM COc1cc(NCc2cc([O-])cc(F)c2)c(OC)cc1Cl ZINC000184131251 333342059 /nfs/dbraw/zinc/34/20/59/333342059.db2.gz KWMDAOJTFKGYRH-UHFFFAOYSA-N -1 3 311.740 3.814 20 0 DHADHM Cc1cc2c[nH]nc2c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000531351384 333345650 /nfs/dbraw/zinc/34/56/50/333345650.db2.gz NHDKGTPRHWMYNL-UHFFFAOYSA-N -1 3 315.760 3.791 20 0 DHADHM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000531351384 333345651 /nfs/dbraw/zinc/34/56/51/333345651.db2.gz NHDKGTPRHWMYNL-UHFFFAOYSA-N -1 3 315.760 3.791 20 0 DHADHM CC(C)COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531372411 333346986 /nfs/dbraw/zinc/34/69/86/333346986.db2.gz GDOZBNIJNYGKHF-UHFFFAOYSA-N -1 3 303.333 3.818 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1)Nc1cc(F)ccc1[O-] ZINC000531373013 333347059 /nfs/dbraw/zinc/34/70/59/333347059.db2.gz FDUQRADGJQWCOY-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000343341262 335135749 /nfs/dbraw/zinc/13/57/49/335135749.db2.gz LRSPSWAHTQYJAW-MWLCHTKSSA-N -1 3 317.307 3.555 20 0 DHADHM O=c1[n-]c(C(F)(F)c2ccc(F)cc2)nc2ccc(F)cc21 ZINC000521419637 333377657 /nfs/dbraw/zinc/37/76/57/333377657.db2.gz HJVLSRGHGRKQPG-UHFFFAOYSA-N -1 3 308.234 3.754 20 0 DHADHM CCC(C)(C)[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000563146674 333396963 /nfs/dbraw/zinc/39/69/63/333396963.db2.gz JEXXQMGUXBKOOJ-LBPRGKRZSA-N -1 3 304.217 3.972 20 0 DHADHM Cc1cccc(-c2nc(-c3nccc4ccccc43)no2)c1[O-] ZINC000320806581 335145700 /nfs/dbraw/zinc/14/57/00/335145700.db2.gz KPBOKLJSMJYXSK-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000531674301 333543383 /nfs/dbraw/zinc/54/33/83/333543383.db2.gz RURSXRNBANKIMR-UHFFFAOYSA-N -1 3 317.429 3.520 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c(F)c(F)c1 ZINC000088721109 333543886 /nfs/dbraw/zinc/54/38/86/333543886.db2.gz NOIPCTPJGBYGMG-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000533971137 333552554 /nfs/dbraw/zinc/55/25/54/333552554.db2.gz FGIBGRPEAVGCSB-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM O=C(COC/C=C\c1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000533972962 333552794 /nfs/dbraw/zinc/55/27/94/333552794.db2.gz SYKSZORXYCTRBF-DAXSKMNVSA-N -1 3 317.772 3.714 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)sc2C)on1 ZINC000411103905 333631047 /nfs/dbraw/zinc/63/10/47/333631047.db2.gz RFQKSCSVIZYILR-MRVPVSSYSA-N -1 3 322.386 3.597 20 0 DHADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cc(F)ccc1[O-] ZINC000412154941 333733555 /nfs/dbraw/zinc/73/35/55/333733555.db2.gz CVJGFFZVXLUNTI-HNNXBMFYSA-N -1 3 315.344 3.759 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc1[O-] ZINC000412292445 333744929 /nfs/dbraw/zinc/74/49/29/333744929.db2.gz UZACDWKHMBJUTG-LBPRGKRZSA-N -1 3 303.402 3.636 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)c([O-])c1 ZINC000436849736 334008029 /nfs/dbraw/zinc/00/80/29/334008029.db2.gz VCDJBMSDKUPMRW-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2noc3c2C[C@@H](C)CC3)c1[O-] ZINC000436903720 334016199 /nfs/dbraw/zinc/01/61/99/334016199.db2.gz UTYKODIYDGOTTH-QMMMGPOBSA-N -1 3 320.776 3.719 20 0 DHADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000436929643 334017288 /nfs/dbraw/zinc/01/72/88/334017288.db2.gz FTTILFOOJHWGPY-CYBMUJFWSA-N -1 3 323.314 3.543 20 0 DHADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000436929645 334017301 /nfs/dbraw/zinc/01/73/01/334017301.db2.gz FTTILFOOJHWGPY-ZDUSSCGKSA-N -1 3 323.314 3.543 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1 ZINC000436931415 334018210 /nfs/dbraw/zinc/01/82/10/334018210.db2.gz BWMQAKGAHSQYHS-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM O=C([N-]OCCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000275211603 334070072 /nfs/dbraw/zinc/07/00/72/334070072.db2.gz KNVOBIGGSPHCJF-UHFFFAOYSA-N -1 3 302.079 3.607 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1c(F)ccc([O-])c1F)CCC2 ZINC000295462306 334223457 /nfs/dbraw/zinc/22/34/57/334223457.db2.gz WAFHBYQZDHNNAR-ZDUSSCGKSA-N -1 3 324.396 3.945 20 0 DHADHM COc1cc(C(=O)N2CCCCC[C@H]2CC(C)C)ccc1[O-] ZINC000442973449 338440682 /nfs/dbraw/zinc/44/06/82/338440682.db2.gz OIQKSASLJITUAH-HNNXBMFYSA-N -1 3 305.418 3.832 20 0 DHADHM CCC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000442971580 338440672 /nfs/dbraw/zinc/44/06/72/338440672.db2.gz WBULBNDZTBLXKV-OAHLLOKOSA-N -1 3 305.418 3.880 20 0 DHADHM O=S(=O)([N-]CCC1=CCCCC1)c1ccc(F)cc1Cl ZINC000048430132 334286113 /nfs/dbraw/zinc/28/61/13/334286113.db2.gz OQXDOALQEYYVTK-UHFFFAOYSA-N -1 3 317.813 3.648 20 0 DHADHM COc1ccccc1CC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000534699461 334328297 /nfs/dbraw/zinc/32/82/97/334328297.db2.gz FYUHSKACQGCMAZ-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc(C(F)(F)F)c1F ZINC000534945893 334350083 /nfs/dbraw/zinc/35/00/83/334350083.db2.gz UTRNEPVWHNVXRZ-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1occc1Br ZINC000341314249 334434315 /nfs/dbraw/zinc/43/43/15/334434315.db2.gz ZTQNRRIZZXGXBM-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM COc1cc(C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)ccc1[O-] ZINC000443276451 338448362 /nfs/dbraw/zinc/44/83/62/338448362.db2.gz AWUGHPUDPVVTEO-CHWSQXEVSA-N -1 3 305.418 3.736 20 0 DHADHM COc1cccc(F)c1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000341678693 334465965 /nfs/dbraw/zinc/46/59/65/334465965.db2.gz OQBRPTMCUMBSOQ-UHFFFAOYSA-N -1 3 320.267 3.562 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc3c(s2)CSCC3)on1 ZINC000341732919 334474339 /nfs/dbraw/zinc/47/43/39/334474339.db2.gz HBAIULRONUFJFL-MRVPVSSYSA-N -1 3 323.443 3.686 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)Cc2cnccc2Cl)c1[O-] ZINC000342611697 334559442 /nfs/dbraw/zinc/55/94/42/334559442.db2.gz CCCBVCLSKNTCMP-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM COc1ccc(NC(=O)c2ccc(CSC)cc2)c([O-])c1 ZINC000443563577 338454895 /nfs/dbraw/zinc/45/48/95/338454895.db2.gz YFKVETYFYZAKOM-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM Cc1cnccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000112496450 334713331 /nfs/dbraw/zinc/71/33/31/334713331.db2.gz NSHHHMYJIXSCDQ-UHFFFAOYSA-N -1 3 324.405 3.858 20 0 DHADHM COc1cc(C)cc(NC(=O)Cc2ccc([O-])cc2Cl)c1C ZINC000428065942 334727941 /nfs/dbraw/zinc/72/79/41/334727941.db2.gz HDAAELUHKSOYSL-UHFFFAOYSA-N -1 3 319.788 3.852 20 0 DHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(C(C)(C)C)cc2[O-])O1 ZINC000330412905 334779825 /nfs/dbraw/zinc/77/98/25/334779825.db2.gz SOSBGILAZUTZFH-TZMCWYRMSA-N -1 3 305.418 3.976 20 0 DHADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331357026 334858006 /nfs/dbraw/zinc/85/80/06/334858006.db2.gz SRTUFASTBJXMJJ-GOSISDBHSA-N -1 3 303.402 3.637 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c([O-])c1 ZINC000127613776 334880880 /nfs/dbraw/zinc/88/08/80/334880880.db2.gz GBXVQETYLUNVIX-OAHLLOKOSA-N -1 3 315.369 3.670 20 0 DHADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000343690611 335188596 /nfs/dbraw/zinc/18/85/96/335188596.db2.gz ZGKYZOWUEBEHHO-VIFPVBQESA-N -1 3 310.275 3.548 20 0 DHADHM Cn1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c1C1CCC1 ZINC000343889572 335203899 /nfs/dbraw/zinc/20/38/99/335203899.db2.gz RYRBUDCWMJEPCL-UHFFFAOYSA-N -1 3 304.777 3.904 20 0 DHADHM CCSCc1ccnc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000344354377 335243629 /nfs/dbraw/zinc/24/36/29/335243629.db2.gz OKLNIVYOTTVMCF-UHFFFAOYSA-N -1 3 322.817 3.946 20 0 DHADHM Cc1ncc(CNCc2cc(-c3ccccc3)cs2)c(=O)[n-]1 ZINC000344324357 335245808 /nfs/dbraw/zinc/24/58/08/335245808.db2.gz KTABDGGZCGMEEE-UHFFFAOYSA-N -1 3 311.410 3.509 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000345133806 335304391 /nfs/dbraw/zinc/30/43/91/335304391.db2.gz MFLHUOVZXRUYIJ-SNVBAGLBSA-N -1 3 315.394 3.810 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3cccs3)C[C@H]2C)c1[O-] ZINC000371012618 335354244 /nfs/dbraw/zinc/35/42/44/335354244.db2.gz YMVXTVMYKMCSPH-OLZOCXBDSA-N -1 3 301.411 3.780 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CSCc2ccc(Cl)cc2)n1 ZINC000345972190 335365007 /nfs/dbraw/zinc/36/50/07/335365007.db2.gz DMRVFEIOILGLRV-UHFFFAOYSA-N -1 3 322.817 3.621 20 0 DHADHM CC(C)O[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000345977625 335367202 /nfs/dbraw/zinc/36/72/02/335367202.db2.gz IUJXYYPTWLXWEH-INIZCTEOSA-N -1 3 303.333 3.636 20 0 DHADHM Cc1ccccc1[C@H](NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000346804667 335437733 /nfs/dbraw/zinc/43/77/33/335437733.db2.gz HLEOPZCWXWUMRB-LJQANCHMSA-N -1 3 319.408 3.678 20 0 DHADHM CCCCCn1cc(CNCc2cc([O-])cc(F)c2)c(C)n1 ZINC000349569342 335681460 /nfs/dbraw/zinc/68/14/60/335681460.db2.gz PFHMAMKNVGYNLR-UHFFFAOYSA-N -1 3 305.397 3.516 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000094102424 335716218 /nfs/dbraw/zinc/71/62/18/335716218.db2.gz QVRFBMLXPZEABJ-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM CCc1cccc(C(=O)N[C@H](CC)c2nc(C)cs2)c1[O-] ZINC000535795956 335774206 /nfs/dbraw/zinc/77/42/06/335774206.db2.gz DSCZEHPLFJQTJT-CYBMUJFWSA-N -1 3 304.415 3.601 20 0 DHADHM Cc1nc(-c2ccc(CNC(=O)c3ccccc3[O-])cc2)cs1 ZINC000519181311 335813280 /nfs/dbraw/zinc/81/32/80/335813280.db2.gz RKTXRSCTYGHYHH-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3ccc(Cl)o3)no2)c(Cl)c1 ZINC000445594651 338501822 /nfs/dbraw/zinc/50/18/22/338501822.db2.gz VJZVQKJVHXREHP-UHFFFAOYSA-N -1 3 311.124 3.933 20 0 DHADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccccc2[O-])cc1 ZINC000116135560 335879296 /nfs/dbraw/zinc/87/92/96/335879296.db2.gz AYRGQVOAYCDTFI-INIZCTEOSA-N -1 3 313.422 3.631 20 0 DHADHM CCSCCCc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000445746582 338507192 /nfs/dbraw/zinc/50/71/92/338507192.db2.gz BWZPRYNLBSARPB-UHFFFAOYSA-N -1 3 312.822 3.705 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cccc(Br)c1F ZINC000192200396 336018467 /nfs/dbraw/zinc/01/84/67/336018467.db2.gz FRECEYLWTUHTDU-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(CSCc1c(F)cccc1F)Nc1ccccc1[O-] ZINC000351292932 336026139 /nfs/dbraw/zinc/02/61/39/336026139.db2.gz VVACVQDXIUPPOZ-UHFFFAOYSA-N -1 3 309.337 3.542 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000351778139 336068446 /nfs/dbraw/zinc/06/84/46/336068446.db2.gz HIOHJEVLEIZWSM-CABCVRRESA-N -1 3 309.837 3.825 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(-n3ccnc3)c(F)c2)c1F ZINC000351877486 336076011 /nfs/dbraw/zinc/07/60/11/336076011.db2.gz PWTSTNLYWTUJJO-UHFFFAOYSA-N -1 3 319.286 3.607 20 0 DHADHM CCN(Cc1cccc(Cl)c1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192544631 336078316 /nfs/dbraw/zinc/07/83/16/336078316.db2.gz WSDHZDVIECISLW-GFCCVEGCSA-N -1 3 305.809 3.727 20 0 DHADHM C[C@@]1(c2ccccc2)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000584356255 336129648 /nfs/dbraw/zinc/12/96/48/336129648.db2.gz FTBPQDYVFAFDCR-QGZVFWFLSA-N -1 3 301.411 3.610 20 0 DHADHM CCc1ccc(C(=O)N2CCC(C)=C(c3ccco3)C2)c([O-])c1 ZINC000332339322 336169314 /nfs/dbraw/zinc/16/93/14/336169314.db2.gz OOXVZQXUXPGOND-UHFFFAOYSA-N -1 3 311.381 3.867 20 0 DHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332424003 336171596 /nfs/dbraw/zinc/17/15/96/336171596.db2.gz AXRURIKVZKXLEG-SFHVURJKSA-N -1 3 324.424 3.889 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c([O-])c1 ZINC000332559908 336174437 /nfs/dbraw/zinc/17/44/37/336174437.db2.gz UKAVOJARUVHBMK-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM COC(=O)c1cc(NCc2cc([O-])cc(F)c2)cc(C)c1C ZINC000351974644 336184924 /nfs/dbraw/zinc/18/49/24/336184924.db2.gz KJHIIRRGJFYDMR-UHFFFAOYSA-N -1 3 303.333 3.547 20 0 DHADHM [O-]c1cc(F)cc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000352011348 336188613 /nfs/dbraw/zinc/18/86/13/336188613.db2.gz QKTRPHMDHSPALY-KRWDZBQOSA-N -1 3 303.402 3.821 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000352010281 336188647 /nfs/dbraw/zinc/18/86/47/336188647.db2.gz AXNWBHMMCSHKES-GOSISDBHSA-N -1 3 301.361 3.575 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1c(F)cccc1F ZINC000352176591 336199222 /nfs/dbraw/zinc/19/92/22/336199222.db2.gz RCURGWCMYWCJRB-MRVPVSSYSA-N -1 3 311.715 3.815 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000468827706 336199375 /nfs/dbraw/zinc/19/93/75/336199375.db2.gz FBZCLNFMBUIXHI-HUUCEWRRSA-N -1 3 305.393 3.503 20 0 DHADHM O=c1nc(-c2ccc(F)cn2)[n-]c2sc3c(c21)CCCS3 ZINC000352205793 336202660 /nfs/dbraw/zinc/20/26/60/336202660.db2.gz IPSUTEVOCLDVPH-UHFFFAOYSA-N -1 3 319.386 3.636 20 0 DHADHM O=C(c1c([O-])cccc1O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334015597 336215931 /nfs/dbraw/zinc/21/59/31/336215931.db2.gz YOBGXIUISGXPLF-OAHLLOKOSA-N -1 3 323.392 3.508 20 0 DHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000352657785 336229150 /nfs/dbraw/zinc/22/91/50/336229150.db2.gz VVRRNLUICOMKIQ-ZDUSSCGKSA-N -1 3 312.413 3.569 20 0 DHADHM CCO[C@@H](CC(=O)N1CCCc2cccc([O-])c21)C1=CCCC1 ZINC000352664275 336229550 /nfs/dbraw/zinc/22/95/50/336229550.db2.gz LRKBVDBGMGHKRR-KRWDZBQOSA-N -1 3 315.413 3.577 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000526935444 336275516 /nfs/dbraw/zinc/27/55/16/336275516.db2.gz YMAFUOITQBAQSP-ZWKOTPCHSA-N -1 3 321.351 3.970 20 0 DHADHM C[C@H](Cc1ccsc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000527039259 336280270 /nfs/dbraw/zinc/28/02/70/336280270.db2.gz MEXDOZGLQRXRGG-GFCCVEGCSA-N -1 3 321.417 3.663 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3F)nc2)n1 ZINC000301191200 336294133 /nfs/dbraw/zinc/29/41/33/336294133.db2.gz WLMWIABPKFGEPE-UHFFFAOYSA-N -1 3 324.359 3.558 20 0 DHADHM [O-]c1ccc(CNc2nc(-c3ccccc3)ns2)cc1F ZINC000301405792 336304807 /nfs/dbraw/zinc/30/48/07/336304807.db2.gz UNFOCWQJPSYBHD-UHFFFAOYSA-N -1 3 301.346 3.662 20 0 DHADHM Clc1cc(Cl)cc(-c2noc([N-][C@H]3CCCOC3)n2)c1 ZINC000301496643 336310341 /nfs/dbraw/zinc/31/03/41/336310341.db2.gz BIZFRZGIOUIPBY-NSHDSACASA-N -1 3 314.172 3.634 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@H]3CC)nc2)n1 ZINC000301713097 336325038 /nfs/dbraw/zinc/32/50/38/336325038.db2.gz ISGUELIRZIRZRY-OAHLLOKOSA-N -1 3 312.417 3.576 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@H](C)CC)nc2)n1 ZINC000301743343 336327015 /nfs/dbraw/zinc/32/70/15/336327015.db2.gz GAPSYIKRRAQXRI-NEPJUHHUSA-N -1 3 300.406 3.653 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@H](C)CC)nc2)n1 ZINC000301743346 336327075 /nfs/dbraw/zinc/32/70/75/336327075.db2.gz GAPSYIKRRAQXRI-VXGBXAGGSA-N -1 3 300.406 3.653 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)ccc1[O-] ZINC000353884110 336445979 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ZINC000360798908 336722549 /nfs/dbraw/zinc/72/25/49/336722549.db2.gz GEXIVNNCHGZDQQ-UHFFFAOYSA-N -1 3 315.800 3.782 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc([O-])cc1F ZINC000360854701 336724537 /nfs/dbraw/zinc/72/45/37/336724537.db2.gz UUXRXHYSANVSPE-UHFFFAOYSA-N -1 3 303.264 3.977 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000361588463 336764087 /nfs/dbraw/zinc/76/40/87/336764087.db2.gz RUPIKFRNQWGBEB-UONOGXRCSA-N -1 3 312.413 3.548 20 0 DHADHM CCC[C@@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000362900871 336814277 /nfs/dbraw/zinc/81/42/77/336814277.db2.gz GIYZVTBBWXTEHF-GFCCVEGCSA-N -1 3 313.401 3.922 20 0 DHADHM O=C(N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000369092303 336858410 /nfs/dbraw/zinc/85/84/10/336858410.db2.gz BCFNRXDIDOBZTI-NEPJUHHUSA-N -1 3 322.817 3.568 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@H]1c1ccccc1F ZINC000371246372 336898346 /nfs/dbraw/zinc/89/83/46/336898346.db2.gz CWRUUULZBYBVPZ-INIZCTEOSA-N -1 3 319.763 3.701 20 0 DHADHM O=C([N-][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(F)F ZINC000373319544 336956300 /nfs/dbraw/zinc/95/63/00/336956300.db2.gz OMJZBUBHNAXXSH-QWRGUYRKSA-N -1 3 307.262 3.723 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCCC[C@@H]1c1ccccc1 ZINC000375900852 337022665 /nfs/dbraw/zinc/02/26/65/337022665.db2.gz IGTKCRXSHQXCPL-QZEKMECESA-N -1 3 308.381 3.554 20 0 DHADHM C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2Cl)C[C@@H]1c1ccccc1 ZINC000377973545 337064618 /nfs/dbraw/zinc/06/46/18/337064618.db2.gz XSVAAPFUOJLNFX-PZSREKOKSA-N -1 3 315.800 3.968 20 0 DHADHM Cc1ncc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)s1 ZINC000171492038 337087507 /nfs/dbraw/zinc/08/75/07/337087507.db2.gz JGNKVNYNPFMRQL-UHFFFAOYSA-N -1 3 322.459 3.678 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)C1CCCCC1 ZINC000582490744 337098440 /nfs/dbraw/zinc/09/84/40/337098440.db2.gz LWXOXPDKKVRIOK-UHFFFAOYSA-N -1 3 315.417 3.519 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2cc(C)ccc2F)c1[O-] ZINC000582525764 337104800 /nfs/dbraw/zinc/10/48/00/337104800.db2.gz 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ZINC000184071161 337195929 /nfs/dbraw/zinc/19/59/29/337195929.db2.gz GRIYPBNFJXPHKP-INIZCTEOSA-N -1 3 317.229 3.524 20 0 DHADHM CCC(CC)c1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)on1 ZINC000582820597 337201596 /nfs/dbraw/zinc/20/15/96/337201596.db2.gz BWUXOAZLKHKTBC-UHFFFAOYSA-N -1 3 324.344 3.567 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2nccs2)c2ccccc2)c1 ZINC000185499902 337205906 /nfs/dbraw/zinc/20/59/06/337205906.db2.gz OXJKOHLGFSMHEO-INIZCTEOSA-N -1 3 314.385 3.867 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CSc2ccccc21 ZINC000582861637 337208887 /nfs/dbraw/zinc/20/88/87/337208887.db2.gz ALWGUNDZFDPYMA-SNVBAGLBSA-N -1 3 305.786 3.874 20 0 DHADHM [O-]c1cccnc1CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000582931873 337215885 /nfs/dbraw/zinc/21/58/85/337215885.db2.gz FCWNUGUWEXHEOK-GOSISDBHSA-N -1 3 300.377 3.947 20 0 DHADHM C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1C(=O)[O-] ZINC000228829586 337258513 /nfs/dbraw/zinc/25/85/13/337258513.db2.gz GLFDBMNVUYQHCD-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000188422506 337273395 /nfs/dbraw/zinc/27/33/95/337273395.db2.gz ADJOZOIOANGRDD-QGZVFWFLSA-N -1 3 310.397 3.635 20 0 DHADHM O=C([O-])c1cccc2c1CCN(CCSC1CCCCC1)C2 ZINC000583823627 337337228 /nfs/dbraw/zinc/33/72/28/337337228.db2.gz CSCJLZUZMPUXSL-UHFFFAOYSA-N -1 3 319.470 3.809 20 0 DHADHM CCN(Cc1ccc(OC)cc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000584534840 337357839 /nfs/dbraw/zinc/35/78/39/337357839.db2.gz GJLGCCKEKCMNCV-CYBMUJFWSA-N -1 3 317.385 3.878 20 0 DHADHM O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccco2)[n-]n1 ZINC000029803315 337389871 /nfs/dbraw/zinc/38/98/71/337389871.db2.gz VTLZNHXOXZWIIV-UHFFFAOYSA-N -1 3 319.267 3.523 20 0 DHADHM O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccco2)n[n-]1 ZINC000029803315 337389872 /nfs/dbraw/zinc/38/98/72/337389872.db2.gz VTLZNHXOXZWIIV-UHFFFAOYSA-N -1 3 319.267 3.523 20 0 DHADHM CC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nc(C)cs1 ZINC000133124561 337444532 /nfs/dbraw/zinc/44/45/32/337444532.db2.gz HGMRAXGSEHJRJD-ZDUSSCGKSA-N -1 3 324.833 3.621 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccoc1Br ZINC000236266317 337462457 /nfs/dbraw/zinc/46/24/57/337462457.db2.gz SJRHXOAIJJKXOZ-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM O=C([N-][C@@H](c1ccsc1)c1ccc(Cl)cc1)C(F)F ZINC000194403113 337462489 /nfs/dbraw/zinc/46/24/89/337462489.db2.gz CGEYWOBSMGNQRC-LLVKDONJSA-N -1 3 301.745 3.872 20 0 DHADHM COCc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419473746 337486831 /nfs/dbraw/zinc/48/68/31/337486831.db2.gz BGCLNHWQHCLLCJ-UHFFFAOYSA-N -1 3 316.426 3.639 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCn3c(cc4ccccc43)C2)c1 ZINC000571834148 337578536 /nfs/dbraw/zinc/57/85/36/337578536.db2.gz UAYAXKZDMBTOAI-UHFFFAOYSA-N -1 3 320.392 3.701 20 0 DHADHM Cc1noc([N-]C(=O)COc2ccc(Cl)cc2Cl)c1C ZINC000253600742 337601186 /nfs/dbraw/zinc/60/11/86/337601186.db2.gz XNNVAWPPAQSYKD-UHFFFAOYSA-N -1 3 315.156 3.616 20 0 DHADHM CC[C@@H](c1nnc([N-]C(=O)c2ccoc2)s1)c1ccccc1 ZINC000078549936 337601827 /nfs/dbraw/zinc/60/18/27/337601827.db2.gz 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ZINC000514838326 337972671 /nfs/dbraw/zinc/97/26/71/337972671.db2.gz KFPBOMSXOFJFSX-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM COc1ccc([O-])c(C(=O)NCc2csc3ccccc23)c1 ZINC000515425370 337988797 /nfs/dbraw/zinc/98/87/97/337988797.db2.gz BCYMKPXZGCAURN-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM O=C(NC(c1ccccc1)c1ccccc1)c1cccc([O-])c1 ZINC000084847115 338005476 /nfs/dbraw/zinc/00/54/76/338005476.db2.gz VZNFEZFMAQJBRM-UHFFFAOYSA-N -1 3 303.361 3.912 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1[O-] ZINC000516472875 338013167 /nfs/dbraw/zinc/01/31/67/338013167.db2.gz NZWHWLGQOWETFX-ZJUUUORDSA-N -1 3 315.291 3.512 20 0 DHADHM COc1cc(Cl)c(CNCCC[C@H](C)C(=O)[O-])cc1Cl ZINC000426649829 338037038 /nfs/dbraw/zinc/03/70/38/338037038.db2.gz YFRWCFPBLXYQNS-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CNC[C@@H](C)CCC(=O)[O-] ZINC000426663286 338037394 /nfs/dbraw/zinc/03/73/94/338037394.db2.gz KHAWOUWRUVDQEZ-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM O=C([O-])CC1(CNCc2ncc(-c3ccccc3)s2)CCC1 ZINC000426666643 338037525 /nfs/dbraw/zinc/03/75/25/338037525.db2.gz TXZVWSGHOQGNQK-UHFFFAOYSA-N -1 3 316.426 3.545 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426686871 338038057 /nfs/dbraw/zinc/03/80/57/338038057.db2.gz OQXPDKKNTUGBFH-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM O=C([O-])C[C@H](NC/C=C\c1ccc(F)cc1)c1ccsc1 ZINC000426684059 338038072 /nfs/dbraw/zinc/03/80/72/338038072.db2.gz WXOFPBNUPNZBHU-OYADATRGSA-N -1 3 305.374 3.706 20 0 DHADHM O=C([O-])C[C@H](NCc1coc2ccccc12)c1ccsc1 ZINC000426696287 338038338 /nfs/dbraw/zinc/03/83/38/338038338.db2.gz NPCPHJQLRNUNFU-AWEZNQCLSA-N -1 3 301.367 3.800 20 0 DHADHM CC(C)Cc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000426711277 338038819 /nfs/dbraw/zinc/03/88/19/338038819.db2.gz ZJGFLPLJZHWAHW-UHFFFAOYSA-N -1 3 311.425 3.802 20 0 DHADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000426726109 338039489 /nfs/dbraw/zinc/03/94/89/338039489.db2.gz HEMRAGNZNAYKNG-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426729742 338039586 /nfs/dbraw/zinc/03/95/86/338039586.db2.gz GNGJBXYGTCGUCZ-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM CC1([C@@H](NCc2cc(Cl)ccc2F)C(=O)[O-])CCCCC1 ZINC000426730577 338039594 /nfs/dbraw/zinc/03/95/94/338039594.db2.gz LQKJJXHBMCFTHW-AWEZNQCLSA-N -1 3 313.800 3.992 20 0 DHADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426733231 338039786 /nfs/dbraw/zinc/03/97/86/338039786.db2.gz LWSMHATXFFTCGU-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2ccc3ncccc3c2)C(=O)[O-])c1 ZINC000426744833 338040426 /nfs/dbraw/zinc/04/04/26/338040426.db2.gz DSVABAORVYXDOS-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000426751191 338040625 /nfs/dbraw/zinc/04/06/25/338040625.db2.gz UBMXNBNTAOMNMY-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM CCN(CC(C)(C)C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000428674375 338058234 /nfs/dbraw/zinc/05/82/34/338058234.db2.gz WROFIFDPGHJCBP-UHFFFAOYSA-N -1 3 303.324 3.919 20 0 DHADHM CCc1occc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000430574184 338109020 /nfs/dbraw/zinc/10/90/20/338109020.db2.gz RXUYAGXKJONURQ-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM O=S(=O)([N-]Cc1ccc(C2CCCCC2)cc1)c1ccco1 ZINC000431564073 338133830 /nfs/dbraw/zinc/13/38/30/338133830.db2.gz KHYVGVSMAMSRNN-UHFFFAOYSA-N -1 3 319.426 3.806 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000431895519 338141257 /nfs/dbraw/zinc/14/12/57/338141257.db2.gz CRONFQZGEOQRTC-UHFFFAOYSA-N -1 3 303.789 3.753 20 0 DHADHM COC(=O)c1cnc(SCc2c(C)ccc3ccccc32)[n-]1 ZINC000432667174 338162000 /nfs/dbraw/zinc/16/20/00/338162000.db2.gz KXVGYINBAVOAIU-UHFFFAOYSA-N -1 3 312.394 3.950 20 0 DHADHM O=c1ccnc(C(=CC=Cc2ccncc2)Cc2ccccc2)[n-]1 ZINC000432705908 338163606 /nfs/dbraw/zinc/16/36/06/338163606.db2.gz HTVUYGWBFVWMHG-FLGOTCTISA-N -1 3 315.376 3.917 20 0 DHADHM CCc1ccc([C@@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000433076961 338180606 /nfs/dbraw/zinc/18/06/06/338180606.db2.gz MGTULDOVKFGNTL-WMLDXEAASA-N -1 3 311.429 3.604 20 0 DHADHM O=C(Nc1cccc2ccccc21)c1cc(F)cc2[n-]nnc21 ZINC000433224663 338186439 /nfs/dbraw/zinc/18/64/39/338186439.db2.gz BTPGXDVZKIDMKH-UHFFFAOYSA-N -1 3 306.300 3.503 20 0 DHADHM O=C(Nc1cccc2ccccc21)c1cc(F)cc2nn[n-]c21 ZINC000433224663 338186440 /nfs/dbraw/zinc/18/64/40/338186440.db2.gz BTPGXDVZKIDMKH-UHFFFAOYSA-N -1 3 306.300 3.503 20 0 DHADHM O=C(Nc1cccc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000433224663 338186441 /nfs/dbraw/zinc/18/64/41/338186441.db2.gz BTPGXDVZKIDMKH-UHFFFAOYSA-N -1 3 306.300 3.503 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@](C)(O)C2)c([O-])c(C(C)C)c1 ZINC000153810310 338231401 /nfs/dbraw/zinc/23/14/01/338231401.db2.gz CIAYWUNSCASTPC-IBGZPJMESA-N -1 3 319.445 3.626 20 0 DHADHM C[C@@H]1[C@@H](C(=O)N2CCCc3cccc([O-])c32)[C@H]1c1ccccc1 ZINC000435801913 338249824 /nfs/dbraw/zinc/24/98/24/338249824.db2.gz WQEAFVURCZOOOX-MORSLUCNSA-N -1 3 307.393 3.721 20 0 DHADHM CC[C@](C)(OC)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000435811197 338250137 /nfs/dbraw/zinc/25/01/37/338250137.db2.gz VULSQBCKZWAGQT-IBGZPJMESA-N -1 3 313.397 3.737 20 0 DHADHM COc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1C ZINC000435956275 338254263 /nfs/dbraw/zinc/25/42/63/338254263.db2.gz GYBVVTPNANMQRY-RMKNXTFCSA-N -1 3 308.337 3.930 20 0 DHADHM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1F ZINC000436150171 338259770 /nfs/dbraw/zinc/25/97/70/338259770.db2.gz FYJSVONPXTWJIH-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C1CCCc2cc(-c3nc(-c4ccc([O-])cc4)no3)ccc21 ZINC000436513067 338274583 /nfs/dbraw/zinc/27/45/83/338274583.db2.gz LCTOOFXSSNHXSX-UHFFFAOYSA-N -1 3 306.321 3.628 20 0 DHADHM Cn1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1C1CC1 ZINC000436511781 338274593 /nfs/dbraw/zinc/27/45/93/338274593.db2.gz JISOIXTYPYXACD-UHFFFAOYSA-N -1 3 313.401 3.553 20 0 DHADHM COc1cccc2c1[C@H](c1nc(-c3ccc([O-])cc3)no1)CC2 ZINC000436511105 338274685 /nfs/dbraw/zinc/27/46/85/338274685.db2.gz GISFSGHJZWXHBO-CQSZACIVSA-N -1 3 308.337 3.529 20 0 DHADHM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc2ccccc2c1[O-] ZINC000436518956 338274895 /nfs/dbraw/zinc/27/48/95/338274895.db2.gz UIGSYVVNPDIBJF-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n[nH]1 ZINC000436521685 338274978 /nfs/dbraw/zinc/27/49/78/338274978.db2.gz OGPWGEHVYRWKFU-UHFFFAOYSA-N -1 3 301.390 3.789 20 0 DHADHM Cc1cccc(C(=O)NCc2nc3ccccc3n2C(C)C)c1[O-] ZINC000436535930 338275959 /nfs/dbraw/zinc/27/59/59/338275959.db2.gz LSMJEVIOTKVENG-UHFFFAOYSA-N -1 3 323.396 3.561 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([O-])c1C ZINC000436541882 338276100 /nfs/dbraw/zinc/27/61/00/338276100.db2.gz ABGCHLPTEXQBLN-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436544993 338276246 /nfs/dbraw/zinc/27/62/46/338276246.db2.gz AZKGEUNRSWGDRS-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000436545692 338276515 /nfs/dbraw/zinc/27/65/15/338276515.db2.gz ODWZSVPYRMBVRL-CMPLNLGQSA-N -1 3 301.308 3.504 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(Cc2ccccc2F)CC1 ZINC000436551030 338276656 /nfs/dbraw/zinc/27/66/56/338276656.db2.gz WEIWFKAQTLYLGC-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c([O-])c1C ZINC000436580021 338278272 /nfs/dbraw/zinc/27/82/72/338278272.db2.gz ZCIFVGRNWQDAFU-QGZVFWFLSA-N -1 3 312.413 3.574 20 0 DHADHM Cc1ccc(C(=O)NCc2coc(-c3ccccc3)n2)c([O-])c1C ZINC000436582417 338278397 /nfs/dbraw/zinc/27/83/97/338278397.db2.gz IACBTFLCKHHRNL-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1C ZINC000436583954 338278423 /nfs/dbraw/zinc/27/84/23/338278423.db2.gz IDVDUZJZLWNZDL-OAHLLOKOSA-N -1 3 313.372 3.778 20 0 DHADHM Cc1cccc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1[O-] ZINC000436585053 338278475 /nfs/dbraw/zinc/27/84/75/338278475.db2.gz RBCJYKNQGPBULQ-NSHDSACASA-N -1 3 317.335 3.738 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1 ZINC000436584229 338278540 /nfs/dbraw/zinc/27/85/40/338278540.db2.gz POHTXDXRRJPDGF-NSHDSACASA-N -1 3 317.335 3.738 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1[O-] ZINC000436589279 338278675 /nfs/dbraw/zinc/27/86/75/338278675.db2.gz PNDNJDIHHFXXNP-WBVHZDCISA-N -1 3 309.409 3.966 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1C ZINC000436591469 338278863 /nfs/dbraw/zinc/27/88/63/338278863.db2.gz WWVNVSGSGLUELD-QGZVFWFLSA-N -1 3 309.409 3.714 20 0 DHADHM CCc1ncsc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436600244 338279314 /nfs/dbraw/zinc/27/93/14/338279314.db2.gz DVUKAZFIZNMIHW-UHFFFAOYSA-N -1 3 302.399 3.542 20 0 DHADHM Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c([O-])c1C ZINC000436599683 338279326 /nfs/dbraw/zinc/27/93/26/338279326.db2.gz BROXVFYVDVOXRH-UHFFFAOYSA-N -1 3 312.413 3.944 20 0 DHADHM Cc1cccnc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436611552 338279885 /nfs/dbraw/zinc/27/98/85/338279885.db2.gz LBRARUVALAMBTG-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc(=O)[nH]1 ZINC000436613848 338280034 /nfs/dbraw/zinc/28/00/34/338280034.db2.gz SQFUQQDRBSENSD-UHFFFAOYSA-N -1 3 319.320 3.671 20 0 DHADHM Cc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c([O-])c1C ZINC000436620708 338280349 /nfs/dbraw/zinc/28/03/49/338280349.db2.gz BRRHFLQCQVMDCR-UHFFFAOYSA-N -1 3 323.392 3.644 20 0 DHADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc([O-])c(OC)c1 ZINC000436629669 338280568 /nfs/dbraw/zinc/28/05/68/338280568.db2.gz WOQHXYMGMRLYOV-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CC(C)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)cc1F ZINC000436628995 338280695 /nfs/dbraw/zinc/28/06/95/338280695.db2.gz HYBVZNBJAYGZPX-INIZCTEOSA-N -1 3 321.323 3.503 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c([O-])c1C ZINC000436639085 338281001 /nfs/dbraw/zinc/28/10/01/338281001.db2.gz IRYKTGAPQBYSAN-HNNXBMFYSA-N -1 3 313.422 3.976 20 0 DHADHM Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c([O-])c1C ZINC000436641517 338281042 /nfs/dbraw/zinc/28/10/42/338281042.db2.gz NJXNTDPOJXWXIU-UHFFFAOYSA-N -1 3 320.392 3.689 20 0 DHADHM O=C(Nc1cccc(OC2CCCC2)c1)c1c([O-])cccc1O ZINC000436646196 338281242 /nfs/dbraw/zinc/28/12/42/338281242.db2.gz GQAPPESKWSUCGH-UHFFFAOYSA-N -1 3 313.353 3.672 20 0 DHADHM CCC(CC)n1nc(C)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436650519 338281401 /nfs/dbraw/zinc/28/14/01/338281401.db2.gz RTTUGDMLYJKVAT-UHFFFAOYSA-N -1 3 312.373 3.975 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)c([O-])c1C ZINC000436651428 338281578 /nfs/dbraw/zinc/28/15/78/338281578.db2.gz VSKXBOXQIURBQO-UHFFFAOYSA-N -1 3 302.399 3.597 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ncsc3Cl)no2)c1[O-] ZINC000436656973 338281866 /nfs/dbraw/zinc/28/18/66/338281866.db2.gz KIHJIFPKUWZECW-UHFFFAOYSA-N -1 3 323.761 3.536 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c([O-])c1 ZINC000436665146 338282164 /nfs/dbraw/zinc/28/21/64/338282164.db2.gz NVAWJKVQZBWAQN-AWEZNQCLSA-N -1 3 317.772 3.608 20 0 DHADHM CCOc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1F ZINC000436687203 338282912 /nfs/dbraw/zinc/28/29/12/338282912.db2.gz KBWVVWJODBUMOX-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM CCOc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1F ZINC000436690350 338282966 /nfs/dbraw/zinc/28/29/66/338282966.db2.gz UOYKYYLPFKDDKE-UHFFFAOYSA-N -1 3 300.289 3.647 20 0 DHADHM COc1cc(-c2nc([C@H]3CCCC[C@@H]3C)no2)cc(OC)c1[O-] ZINC000436691870 338283099 /nfs/dbraw/zinc/28/30/99/338283099.db2.gz VMNRSXKNBWCYDS-JQWIXIFHSA-N -1 3 318.373 3.753 20 0 DHADHM CC(C)n1ccnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436706472 338283483 /nfs/dbraw/zinc/28/34/83/338283483.db2.gz PTZWGTCUDREUSO-UHFFFAOYSA-N -1 3 316.386 3.512 20 0 DHADHM CO[C@@H](C)CN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436709219 338283735 /nfs/dbraw/zinc/28/37/35/338283735.db2.gz MTTSFOPPJZCHJR-ZDUSSCGKSA-N -1 3 307.434 3.746 20 0 DHADHM CCc1cc(C(=O)Nc2cnn([C@@H](C)CC)c2C)ccc1[O-] ZINC000436712509 338283746 /nfs/dbraw/zinc/28/37/46/338283746.db2.gz GHSSBTAMGZUUAB-NSHDSACASA-N -1 3 301.390 3.683 20 0 DHADHM CC(C)c1ccc(C(=O)N(CCO)CC2CCCCC2)c([O-])c1 ZINC000436709284 338283753 /nfs/dbraw/zinc/28/37/53/338283753.db2.gz VEXCVMFZJFRMCO-UHFFFAOYSA-N -1 3 319.445 3.530 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1[O-] ZINC000436717160 338283821 /nfs/dbraw/zinc/28/38/21/338283821.db2.gz SFYFMJGHOMUYHE-HNNXBMFYSA-N -1 3 317.429 3.976 20 0 DHADHM CC[C@@](C)(NC(=O)c1cc(C)ccc1[O-])c1nc(C)cs1 ZINC000436717897 338283989 /nfs/dbraw/zinc/28/39/89/338283989.db2.gz ICGNATDCTDLKMT-MRXNPFEDSA-N -1 3 304.415 3.521 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3[O-])n[nH]2)c(C)c1 ZINC000436729870 338284461 /nfs/dbraw/zinc/28/44/61/338284461.db2.gz IGRZPQOIDNKBTJ-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM Cc1cccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1[O-] ZINC000436742540 338284948 /nfs/dbraw/zinc/28/49/48/338284948.db2.gz VUVCFXKDMAYFEU-OAHLLOKOSA-N -1 3 301.411 3.985 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436749008 338285107 /nfs/dbraw/zinc/28/51/07/338285107.db2.gz QVYIQFYSWOWCHW-QGZVFWFLSA-N -1 3 313.397 3.933 20 0 DHADHM COc1cccc(C(=O)Nc2sc3c(c2C)CCCC3)c1[O-] ZINC000436747822 338285137 /nfs/dbraw/zinc/28/51/37/338285137.db2.gz OJLILRHFGKLXIF-UHFFFAOYSA-N -1 3 317.410 3.902 20 0 DHADHM C[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436754872 338285630 /nfs/dbraw/zinc/28/56/30/338285630.db2.gz IVJUSDJXMOKNCL-OAHLLOKOSA-N -1 3 309.409 3.998 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(Cl)c2C)c1[O-] ZINC000436752940 338285632 /nfs/dbraw/zinc/28/56/32/338285632.db2.gz SZRPHBXEZHQUBB-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436753013 338285672 /nfs/dbraw/zinc/28/56/72/338285672.db2.gz ZNANPOKGAMNDNC-QGZVFWFLSA-N -1 3 313.397 3.933 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2F)c1[O-] ZINC000436756508 338285868 /nfs/dbraw/zinc/28/58/68/338285868.db2.gz RPXZTRQPRXOEPP-UHFFFAOYSA-N -1 3 309.724 3.754 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)c([O-])c1 ZINC000436758697 338285894 /nfs/dbraw/zinc/28/58/94/338285894.db2.gz NJRTVXNFXWCZHK-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([O-])c1C ZINC000436758962 338285961 /nfs/dbraw/zinc/28/59/61/338285961.db2.gz PJAOOFZDLOMJTE-CYBMUJFWSA-N -1 3 301.361 3.981 20 0 DHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436759689 338286029 /nfs/dbraw/zinc/28/60/29/338286029.db2.gz DTESQECEWQYSIR-WFASDCNBSA-N -1 3 317.429 3.756 20 0 DHADHM O=C(Nc1ccccn1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436759536 338286031 /nfs/dbraw/zinc/28/60/31/338286031.db2.gz ZPCFFABIKWKYJF-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1[O-] ZINC000436760698 338286242 /nfs/dbraw/zinc/28/62/42/338286242.db2.gz RUJSMOJTBQOGOO-UHFFFAOYSA-N -1 3 310.353 3.751 20 0 DHADHM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436768413 338286523 /nfs/dbraw/zinc/28/65/23/338286523.db2.gz KKKOWVSRTHVTHM-ONNFQVAWSA-N -1 3 324.336 3.630 20 0 DHADHM COc1ccc2c(Cc3nc(-c4ccc([O-])cc4)no3)coc2c1 ZINC000436767179 338286527 /nfs/dbraw/zinc/28/65/27/338286527.db2.gz GDELEZIKCZSKKB-UHFFFAOYSA-N -1 3 322.320 3.788 20 0 DHADHM COc1cccc([C@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768506 338286654 /nfs/dbraw/zinc/28/66/54/338286654.db2.gz KVDNOLWOUAJCKI-CVEARBPZSA-N -1 3 308.337 3.722 20 0 DHADHM CC(C)c1ncc(Cl)c(-c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000436770625 338286731 /nfs/dbraw/zinc/28/67/31/338286731.db2.gz SBWSUIWNXIQSPL-UHFFFAOYSA-N -1 3 316.748 3.676 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cccc(-n4cccc4)c3)n2)cc1 ZINC000436770923 338286835 /nfs/dbraw/zinc/28/68/35/338286835.db2.gz VYEAEZVERKCXFB-UHFFFAOYSA-N -1 3 303.321 3.900 20 0 DHADHM Cc1cc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)ccc1[O-] ZINC000436779517 338287051 /nfs/dbraw/zinc/28/70/51/338287051.db2.gz VODYTIHEJWIBJX-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CCS[C@@H](c1nc(-c2ccc([O-])c(OC)c2)no1)C(C)C ZINC000436782403 338287206 /nfs/dbraw/zinc/28/72/06/338287206.db2.gz BPIBZFAGMJXRAU-CYBMUJFWSA-N -1 3 308.403 3.901 20 0 DHADHM CCc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000436799159 338287724 /nfs/dbraw/zinc/28/77/24/338287724.db2.gz XIMLIWGCYPNWTD-UHFFFAOYSA-N -1 3 309.409 3.974 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c([O-])c1 ZINC000436810591 338288121 /nfs/dbraw/zinc/28/81/21/338288121.db2.gz BTBBWRZKMDJJSC-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c([O-])c1C ZINC000436817838 338288519 /nfs/dbraw/zinc/28/85/19/338288519.db2.gz IRYKOTOCANSOAA-GFCCVEGCSA-N -1 3 311.381 3.869 20 0 DHADHM Cc1cccc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436823702 338288669 /nfs/dbraw/zinc/28/86/69/338288669.db2.gz CKHREAYSJKNYMT-UHFFFAOYSA-N -1 3 309.409 3.852 20 0 DHADHM CCc1ccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000436828238 338288768 /nfs/dbraw/zinc/28/87/68/338288768.db2.gz HIHYXIMRLKQWCF-QGZVFWFLSA-N -1 3 312.413 3.519 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436827697 338288798 /nfs/dbraw/zinc/28/87/98/338288798.db2.gz OBEMANUZUKUQFJ-UHFFFAOYSA-N -1 3 309.365 3.726 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436826587 338288897 /nfs/dbraw/zinc/28/88/97/338288897.db2.gz ASJZTTYRWLQEDV-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436837914 338289302 /nfs/dbraw/zinc/28/93/02/338289302.db2.gz ITEGFBRYHTWADL-ZIAGYGMSSA-N -1 3 307.459 3.920 20 0 DHADHM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436837908 338289418 /nfs/dbraw/zinc/28/94/18/338289418.db2.gz ITEGFBRYHTWADL-KGLIPLIRSA-N -1 3 307.459 3.920 20 0 DHADHM CC[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436845507 338289677 /nfs/dbraw/zinc/28/96/77/338289677.db2.gz TVWQABJFUAOMOR-CQSZACIVSA-N -1 3 301.430 3.923 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)c1 ZINC000436854631 338290115 /nfs/dbraw/zinc/29/01/15/338290115.db2.gz NYKDCPMHVVXKGH-QGZVFWFLSA-N -1 3 312.413 3.567 20 0 DHADHM CSc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436859480 338290176 /nfs/dbraw/zinc/29/01/76/338290176.db2.gz LGWDMNOHRDXNKO-UHFFFAOYSA-N -1 3 301.367 3.569 20 0 DHADHM CCOc1cc(-c2noc([C@H](OC)[C@H](C)CC)n2)ccc1[O-] ZINC000436869054 338290576 /nfs/dbraw/zinc/29/05/76/338290576.db2.gz CMKJBNFJWQOWGZ-QMTHXVAHSA-N -1 3 306.362 3.575 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccc(Cl)c(F)c3)n2)cc1 ZINC000436868950 338290600 /nfs/dbraw/zinc/29/06/00/338290600.db2.gz JUSCTSLUJDEPKJ-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM CCc1ccc(-c2nc([C@H]3COc4ccccc4O3)no2)c([O-])c1 ZINC000436881343 338291605 /nfs/dbraw/zinc/29/16/05/338291605.db2.gz XBTBGENSZXNNGH-MRXNPFEDSA-N -1 3 324.336 3.517 20 0 DHADHM CC(C)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c([O-])c1 ZINC000436886475 338291708 /nfs/dbraw/zinc/29/17/08/338291708.db2.gz LBWQRZKXMSEORK-UHFFFAOYSA-N -1 3 324.336 3.961 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc1 ZINC000436892872 338292316 /nfs/dbraw/zinc/29/23/16/338292316.db2.gz LSUFNMHQHXPXLK-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM Cc1cccc2c(Cc3nc(-c4ccc([O-])cc4)no3)c[nH]c21 ZINC000436898818 338292446 /nfs/dbraw/zinc/29/24/46/338292446.db2.gz ABTAVTYVYPYYNX-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)ccc1[O-] ZINC000436906415 338292819 /nfs/dbraw/zinc/29/28/19/338292819.db2.gz VWGYIAHWWALFBZ-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM COCc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436906631 338292835 /nfs/dbraw/zinc/29/28/35/338292835.db2.gz DSSWBXNMGJLTQX-UHFFFAOYSA-N -1 3 310.353 3.872 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000436905440 338292922 /nfs/dbraw/zinc/29/29/22/338292922.db2.gz SWDMERSWVUOVDK-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM Cc1ccc(SC[C@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436908374 338293098 /nfs/dbraw/zinc/29/30/98/338293098.db2.gz IRVCTEMLECEMAT-AWEZNQCLSA-N -1 3 315.438 3.920 20 0 DHADHM Cc1cccc(-c2nc(-c3ccnc(OC(C)C)c3)no2)c1[O-] ZINC000436910814 338293100 /nfs/dbraw/zinc/29/31/00/338293100.db2.gz DOKJKMPIIXXCTA-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM CCSCc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436914762 338293303 /nfs/dbraw/zinc/29/33/03/338293303.db2.gz KVCWJLLITRBIKW-UHFFFAOYSA-N -1 3 317.410 3.906 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1[O-] ZINC000436922761 338293587 /nfs/dbraw/zinc/29/35/87/338293587.db2.gz PTEYFGOFCFNCCR-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1Cl ZINC000436927026 338293799 /nfs/dbraw/zinc/29/37/99/338293799.db2.gz NUMMDVLMFPBEFJ-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2OC(C)C)ccc1[O-] ZINC000436926617 338293869 /nfs/dbraw/zinc/29/38/69/338293869.db2.gz NLQNJHHGPMXPOU-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)ccc1[O-] ZINC000436929599 338293957 /nfs/dbraw/zinc/29/39/57/338293957.db2.gz FNECGLJYGNPAHQ-UHFFFAOYSA-N -1 3 315.417 3.929 20 0 DHADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)c1cccc(OC)c1 ZINC000436930175 338294046 /nfs/dbraw/zinc/29/40/46/338294046.db2.gz XBIKECFBHRRPEN-CQSZACIVSA-N -1 3 313.397 3.933 20 0 DHADHM CCCOC1(CNC(=O)c2ccc([O-])c(C)c2)CCCCC1 ZINC000436936565 338294433 /nfs/dbraw/zinc/29/44/33/338294433.db2.gz GJKQVXJFOMYTQD-UHFFFAOYSA-N -1 3 305.418 3.560 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c([O-])c1 ZINC000436938736 338294651 /nfs/dbraw/zinc/29/46/51/338294651.db2.gz MJKUPIRYCIYMKH-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc4cnccc43)no2)c([O-])c1 ZINC000436939810 338294746 /nfs/dbraw/zinc/29/47/46/338294746.db2.gz RFFQJOBMVDQWMX-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM COc1cc(C)cc(-c2nc([C@H]3CCc4ccccc43)no2)c1[O-] ZINC000436940360 338294851 /nfs/dbraw/zinc/29/48/51/338294851.db2.gz VWZYGSMYBBXRSX-AWEZNQCLSA-N -1 3 322.364 3.837 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)c1 ZINC000436942679 338294915 /nfs/dbraw/zinc/29/49/15/338294915.db2.gz WUKVFUXOJIXDIJ-UHFFFAOYSA-N -1 3 313.332 3.623 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC000436941466 338294986 /nfs/dbraw/zinc/29/49/86/338294986.db2.gz QSCRZJQWBVZDMV-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM COc1cccc(-c2nc([C@@H](C)c3cccs3)no2)c1[O-] ZINC000436942673 338295060 /nfs/dbraw/zinc/29/50/60/338295060.db2.gz WPSBRSCINUTOGZ-VIFPVBQESA-N -1 3 302.355 3.664 20 0 DHADHM COc1cccc(C(=O)N(C)C2CCC(C(C)C)CC2)c1[O-] ZINC000436949137 338295273 /nfs/dbraw/zinc/29/52/73/338295273.db2.gz LQGGULAKZLALMY-UHFFFAOYSA-N -1 3 305.418 3.688 20 0 DHADHM CCc1ccc(C(=O)NCCC2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000436948965 338295318 /nfs/dbraw/zinc/29/53/18/338295318.db2.gz KYVUFUAFAYOOMZ-UHFFFAOYSA-N -1 3 319.445 3.668 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)c([O-])c1 ZINC000436947637 338295385 /nfs/dbraw/zinc/29/53/85/338295385.db2.gz ZOJXNRJVLMPGJS-UHFFFAOYSA-N -1 3 313.332 3.623 20 0 DHADHM CC(C)c1ccc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000436950829 338295471 /nfs/dbraw/zinc/29/54/71/338295471.db2.gz WEHAWHIXEWTEHJ-WCQYABFASA-N -1 3 302.374 3.848 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000436959431 338295811 /nfs/dbraw/zinc/29/58/11/338295811.db2.gz HJIHNOKUSACZKY-UHFFFAOYSA-N -1 3 315.438 3.913 20 0 DHADHM Cc1cnc([C@@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000436963533 338296050 /nfs/dbraw/zinc/29/60/50/338296050.db2.gz OHNDSYRYAPPURX-LLVKDONJSA-N -1 3 316.426 3.527 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000436965421 338296089 /nfs/dbraw/zinc/29/60/89/338296089.db2.gz JKDDWSIDAGWDCJ-AWEZNQCLSA-N -1 3 313.372 3.723 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(F)cc2OC(C)C)c1[O-] ZINC000436969487 338296283 /nfs/dbraw/zinc/29/62/83/338296283.db2.gz YZRQBXDFTALZJD-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000436977450 338296418 /nfs/dbraw/zinc/29/64/18/338296418.db2.gz DJLPAFNQDYGCKJ-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM O=C(N[C@H](c1cccnc1)C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436974225 338296486 /nfs/dbraw/zinc/29/64/86/338296486.db2.gz XDADLYSLCGXXHO-SFHVURJKSA-N -1 3 322.408 3.547 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCC3(CCC3)C2)c([O-])c1 ZINC000436997959 338297220 /nfs/dbraw/zinc/29/72/20/338297220.db2.gz JKMPHXYWCAYFBT-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c1[O-] ZINC000437000019 338297258 /nfs/dbraw/zinc/29/72/58/338297258.db2.gz HJLQXSYJOYCVLM-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3coc4cc(F)ccc34)n2)cc1 ZINC000437003930 338297370 /nfs/dbraw/zinc/29/73/70/338297370.db2.gz VLYVBCUTYFYXNL-UHFFFAOYSA-N -1 3 310.284 3.918 20 0 DHADHM Cc1ccc([C@H](NC(=O)c2ccccc2[O-])c2ccccn2)cc1 ZINC000437005144 338297568 /nfs/dbraw/zinc/29/75/68/338297568.db2.gz VINWIOQKLOCFNC-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)ccc1[O-] ZINC000437297635 338306550 /nfs/dbraw/zinc/30/65/50/338306550.db2.gz YDHFKOKIFPMXCE-BXUZGUMPSA-N -1 3 319.763 3.779 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ncsc1-c1ccccc1 ZINC000438148777 338334275 /nfs/dbraw/zinc/33/42/75/338334275.db2.gz GEVIZFUPSZNILM-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CC[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CC1 ZINC000438701271 338351148 /nfs/dbraw/zinc/35/11/48/338351148.db2.gz YGTHVDZIICLSEE-HAQNSBGRSA-N -1 3 302.378 3.528 20 0 DHADHM CC[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000438701271 338351149 /nfs/dbraw/zinc/35/11/49/338351149.db2.gz YGTHVDZIICLSEE-HAQNSBGRSA-N -1 3 302.378 3.528 20 0 DHADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CC1 ZINC000438701271 338351150 /nfs/dbraw/zinc/35/11/50/338351150.db2.gz YGTHVDZIICLSEE-HAQNSBGRSA-N -1 3 302.378 3.528 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000439066521 338360163 /nfs/dbraw/zinc/36/01/63/338360163.db2.gz RARFKMYJTZLFBG-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM CC(C)[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000439726936 338376642 /nfs/dbraw/zinc/37/66/42/338376642.db2.gz HGYKCUAOACFGSL-SFHVURJKSA-N -1 3 320.392 3.655 20 0 DHADHM CC(C)(C)c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156667414 338377704 /nfs/dbraw/zinc/37/77/04/338377704.db2.gz QONXQADRQDGRME-UHFFFAOYSA-N -1 3 301.361 3.759 20 0 DHADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3ccoc3c2)[n-]1 ZINC000442868273 338436448 /nfs/dbraw/zinc/43/64/48/338436448.db2.gz QBPNWTSGVCLHSH-UHFFFAOYSA-N -1 3 309.247 3.559 20 0 DHADHM CCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448897918 338579001 /nfs/dbraw/zinc/57/90/01/338579001.db2.gz SYHYAGJDIZXOTE-MRXNPFEDSA-N -1 3 315.388 3.601 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nn1C(C)C ZINC000449886097 338657243 /nfs/dbraw/zinc/65/72/43/338657243.db2.gz GPIKKIJOAPOOAC-UHFFFAOYSA-N -1 3 307.781 3.692 20 0 DHADHM O=C([N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CC1(F)F ZINC000449940976 338659832 /nfs/dbraw/zinc/65/98/32/338659832.db2.gz OOLMQFJLBJYUBF-BDAKNGLRSA-N -1 3 313.653 3.715 20 0 DHADHM Cc1c(Cl)cncc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000451063912 338720126 /nfs/dbraw/zinc/72/01/26/338720126.db2.gz HMTROQKJLBTMTF-LLVKDONJSA-N -1 3 324.833 3.589 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1cccs1 ZINC000451096275 338721027 /nfs/dbraw/zinc/72/10/27/338721027.db2.gz MFKULUWDNBQOCL-VIFPVBQESA-N -1 3 321.876 3.893 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1CC12CCCC2 ZINC000451178777 338724753 /nfs/dbraw/zinc/72/47/53/338724753.db2.gz AXMCHTQABHECOY-KRWDZBQOSA-N -1 3 309.409 3.927 20 0 DHADHM CCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000458329199 338996351 /nfs/dbraw/zinc/99/63/51/338996351.db2.gz LJGOCPIKNPLMFX-INIZCTEOSA-N -1 3 307.409 3.939 20 0 DHADHM CCOc1cc(CN2CCS[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000459335755 339022463 /nfs/dbraw/zinc/02/24/63/339022463.db2.gz CGKGQFWAEBMNIB-GHMZBOCLSA-N -1 3 315.866 3.770 20 0 DHADHM Cc1cccc([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000459299242 339020077 /nfs/dbraw/zinc/02/00/77/339020077.db2.gz JKBIGIFHWHQDML-KRWDZBQOSA-N -1 3 309.413 3.705 20 0 DHADHM C[C@H](c1cc(F)ccc1F)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459309800 339020887 /nfs/dbraw/zinc/02/08/87/339020887.db2.gz VXTSBUTVBZBNFW-SNVBAGLBSA-N -1 3 319.355 3.531 20 0 DHADHM CN(Cc1cccc([O-])c1Br)C(C1CC1)C1CC1 ZINC000459321826 339021709 /nfs/dbraw/zinc/02/17/09/339021709.db2.gz HLMGNCQGWDUJLN-UHFFFAOYSA-N -1 3 310.235 3.775 20 0 DHADHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000459387252 339026434 /nfs/dbraw/zinc/02/64/34/339026434.db2.gz MSFYQZNIMPHOIH-UHFFFAOYSA-N -1 3 317.820 3.738 20 0 DHADHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccc(Br)c1 ZINC000461789992 339067237 /nfs/dbraw/zinc/06/72/37/339067237.db2.gz NYKSLGHNPGEWPA-JTQLQIEISA-N -1 3 320.186 3.897 20 0 DHADHM CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000466589300 339209935 /nfs/dbraw/zinc/20/99/35/339209935.db2.gz WBEGJSPZRZRPGJ-CQSZACIVSA-N -1 3 308.397 3.642 20 0 DHADHM CCc1cc(=O)[n-]c(CSC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000466734843 339214908 /nfs/dbraw/zinc/21/49/08/339214908.db2.gz HKFBVYZBRITCQK-AWEZNQCLSA-N -1 3 322.474 3.860 20 0 DHADHM CC1CCC(N(C)C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468388967 339261393 /nfs/dbraw/zinc/26/13/93/339261393.db2.gz DLDXXMVSTDFVQZ-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468394223 339261759 /nfs/dbraw/zinc/26/17/59/339261759.db2.gz YKBPEANNRUPBQX-CJNGLKHVSA-N -1 3 307.409 3.891 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000468605447 339267061 /nfs/dbraw/zinc/26/70/61/339267061.db2.gz ACEHSABTZIPNLO-NVXWUHKLSA-N -1 3 313.372 3.526 20 0 DHADHM O=C(CCCc1ccc(O)c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000469118882 339280748 /nfs/dbraw/zinc/28/07/48/339280748.db2.gz ZTJWPZVNUUPHML-UHFFFAOYSA-N -1 3 323.751 3.852 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCC1 ZINC000469145081 339281400 /nfs/dbraw/zinc/28/14/00/339281400.db2.gz KWWIFEILFQQWQE-INIZCTEOSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2F)c2c([O-])cccc21 ZINC000469237049 339283893 /nfs/dbraw/zinc/28/38/93/339283893.db2.gz QTLCKXBDPAFQAQ-LLVKDONJSA-N -1 3 317.335 3.753 20 0 DHADHM Cc1c(F)cccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469407695 339288119 /nfs/dbraw/zinc/28/81/19/339288119.db2.gz IWSGLUMLPMOEJW-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM CC(C)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469427200 339288758 /nfs/dbraw/zinc/28/87/58/339288758.db2.gz YZARQJRMMOTTSQ-UHFFFAOYSA-N -1 3 307.409 3.749 20 0 DHADHM Cc1ccc(NC(=O)CCSCc2ccccc2)c([O-])c1 ZINC000471577294 339348003 /nfs/dbraw/zinc/34/80/03/339348003.db2.gz IYPFOLWROHIKGT-UHFFFAOYSA-N -1 3 301.411 3.963 20 0 DHADHM CCCc1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471630253 339350064 /nfs/dbraw/zinc/35/00/64/339350064.db2.gz VBGHBFBVBZZOKN-HNNXBMFYSA-N -1 3 318.442 3.928 20 0 DHADHM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1[O-] ZINC000471787401 339353972 /nfs/dbraw/zinc/35/39/72/339353972.db2.gz LIYTYOVOSUOTEE-ZDUSSCGKSA-N -1 3 307.349 3.951 20 0 DHADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ncccc2[O-])CC1 ZINC000472188159 339365662 /nfs/dbraw/zinc/36/56/62/339365662.db2.gz HNONQQIWRVMHMU-ZIAGYGMSSA-N -1 3 319.449 3.581 20 0 DHADHM CCc1cc(=O)[n-]c(CSc2ncc(Cl)cc2Cl)n1 ZINC000477349321 339492989 /nfs/dbraw/zinc/49/29/89/339492989.db2.gz KCMXBBMDSITJEK-UHFFFAOYSA-N -1 3 316.213 3.739 20 0 DHADHM CCC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000479229059 339529469 /nfs/dbraw/zinc/52/94/69/339529469.db2.gz TXURPWSOHNXOJO-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000485615861 339707372 /nfs/dbraw/zinc/70/73/72/339707372.db2.gz QATSYLPGQHQECF-AWEZNQCLSA-N -1 3 323.314 3.777 20 0 DHADHM CCc1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1[O-] ZINC000485770550 339712425 /nfs/dbraw/zinc/71/24/25/339712425.db2.gz NXGHLKRLBYPGMZ-UHFFFAOYSA-N -1 3 309.409 3.974 20 0 DHADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000485920109 339716311 /nfs/dbraw/zinc/71/63/11/339716311.db2.gz DYUOOSQNPYWQMI-UHFFFAOYSA-N -1 3 321.845 3.972 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C)c2c(F)cccc2OC)ccc1[O-] ZINC000486405405 339726763 /nfs/dbraw/zinc/72/67/63/339726763.db2.gz IOSUGOFSGXNVNZ-NSHDSACASA-N -1 3 317.360 3.593 20 0 DHADHM CCc1cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)ccc1[O-] ZINC000486495537 339728371 /nfs/dbraw/zinc/72/83/71/339728371.db2.gz GKDFCHFZRIGIGB-SFHVURJKSA-N -1 3 309.409 3.584 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(OCCF)c2)ccc1[O-] ZINC000486635964 339730242 /nfs/dbraw/zinc/73/02/42/339730242.db2.gz BZDWZKXPVDFBJV-UHFFFAOYSA-N -1 3 303.333 3.555 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1coc(C2CCCCC2)n1 ZINC000486960073 339740233 /nfs/dbraw/zinc/74/02/33/339740233.db2.gz UDHCZHOAZBQXAD-UHFFFAOYSA-N -1 3 300.358 3.989 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 ZINC000487255987 339747581 /nfs/dbraw/zinc/74/75/81/339747581.db2.gz BKNKQQPQQDRWHP-INIZCTEOSA-N -1 3 311.381 3.801 20 0 DHADHM COc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000492300528 339897081 /nfs/dbraw/zinc/89/70/81/339897081.db2.gz QXFYEXLEAZKQTK-SOFGYWHQSA-N -1 3 321.735 3.845 20 0 DHADHM CC(C)(C)Nc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492641699 339906069 /nfs/dbraw/zinc/90/60/69/339906069.db2.gz GJUWSCWNFYMVMC-CMDGGOBGSA-N -1 3 311.385 3.650 20 0 DHADHM Cc1cc(C(=O)NCCCSc2ccccc2)ccc1[O-] ZINC000499566790 340039555 /nfs/dbraw/zinc/03/95/55/340039555.db2.gz YSHKYRUZFKQQSI-UHFFFAOYSA-N -1 3 301.411 3.613 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)ccc1[O-] ZINC000499774814 340044616 /nfs/dbraw/zinc/04/46/16/340044616.db2.gz KWQJLJHGXVQKQB-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CC(C)(C)CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500442635 340058947 /nfs/dbraw/zinc/05/89/47/340058947.db2.gz VWHSZZCYCUGOTD-UHFFFAOYSA-N -1 3 324.471 3.525 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)COc2ccccc2F)c([O-])c1 ZINC000501954557 340091430 /nfs/dbraw/zinc/09/14/30/340091430.db2.gz ZDMOADDKFLDUFF-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000502665675 340109820 /nfs/dbraw/zinc/10/98/20/340109820.db2.gz JWDXIXLMAUNVRQ-CQSZACIVSA-N -1 3 313.397 3.917 20 0 DHADHM CCc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000502885862 340115610 /nfs/dbraw/zinc/11/56/10/340115610.db2.gz BPZKLOZYVPPXKJ-UHFFFAOYSA-N -1 3 307.752 3.928 20 0 DHADHM [O-]c1cccc(CNCCc2nc3ccccc3s2)c1Cl ZINC000506200854 340188471 /nfs/dbraw/zinc/18/84/71/340188471.db2.gz RBCQNVPPRGUHIE-UHFFFAOYSA-N -1 3 318.829 3.988 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000506797659 340202075 /nfs/dbraw/zinc/20/20/75/340202075.db2.gz PNRKFMFRHHUDDV-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM COc1ccccc1C[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000508231330 340241097 /nfs/dbraw/zinc/24/10/97/340241097.db2.gz OIHZCRNYQBATHH-GFCCVEGCSA-N -1 3 321.367 3.742 20 0 DHADHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccc([O-])c1 ZINC000508770368 340252945 /nfs/dbraw/zinc/25/29/45/340252945.db2.gz ODRNNSYDAIWVSY-UHFFFAOYSA-N -1 3 313.372 3.773 20 0 DHADHM Cc1ccc2c(Cn3c4ccccc4sc3=O)ccc([O-])c2n1 ZINC000509066455 340260229 /nfs/dbraw/zinc/26/02/29/340260229.db2.gz NIKIYXPWBNMXTD-UHFFFAOYSA-N -1 3 322.389 3.674 20 0 DHADHM COc1cccc(C(=O)N(CCC(C)C)CCC(C)C)c1[O-] ZINC000301946597 340265111 /nfs/dbraw/zinc/26/51/11/340265111.db2.gz UMMCQIBZDIMGHG-UHFFFAOYSA-N -1 3 307.434 3.935 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000301946063 340265142 /nfs/dbraw/zinc/26/51/42/340265142.db2.gz QFKYELJUIHORAL-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1[O-] ZINC000509905443 340282398 /nfs/dbraw/zinc/28/23/98/340282398.db2.gz UEJVOERFEMLIRE-NWANDNLSSA-N -1 3 305.418 3.591 20 0 DHADHM [O-]c1ccc(F)c(CNCc2c(F)cccc2Cl)c1F ZINC000510348343 340296640 /nfs/dbraw/zinc/29/66/40/340296640.db2.gz XRDQRPWVBSXFHR-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2c(F)cccc2F)c1 ZINC000511936944 340343209 /nfs/dbraw/zinc/34/32/09/340343209.db2.gz CZLWMJJCBPQAHR-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512020832 340345445 /nfs/dbraw/zinc/34/54/45/340345445.db2.gz ABBVTOOQFUROSG-RKDXNWHRSA-N -1 3 310.246 3.706 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000512026262 340345741 /nfs/dbraw/zinc/34/57/41/340345741.db2.gz SHVXGKWWNZUNCS-DTWKUNHWSA-N -1 3 310.246 3.706 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)c1[O-] ZINC000303827534 340348806 /nfs/dbraw/zinc/34/88/06/340348806.db2.gz YXTRRFMCJBAEJA-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000512958544 340385564 /nfs/dbraw/zinc/38/55/64/340385564.db2.gz JZGWWPBKLVDOAL-UHFFFAOYSA-N -1 3 307.868 3.506 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1nc(-c2ccccc2)cs1 ZINC000516957860 340460112 /nfs/dbraw/zinc/46/01/12/340460112.db2.gz RTEQBFIPRBWOGE-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000183283565 340487152 /nfs/dbraw/zinc/48/71/52/340487152.db2.gz SCRFSTWUPLNEPE-STQMWFEESA-N -1 3 305.736 3.927 20 0 DHADHM Cc1ccc(C)c(OCCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183279089 340487177 /nfs/dbraw/zinc/48/71/77/340487177.db2.gz LYFLCCILNLIYEG-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000183781577 340489234 /nfs/dbraw/zinc/48/92/34/340489234.db2.gz RMNCSAPTBCAVIK-JTQLQIEISA-N -1 3 320.186 3.897 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCCc2ccccc2C1 ZINC000236604666 340663032 /nfs/dbraw/zinc/66/30/32/340663032.db2.gz UJOLXDBDMIRWEI-UHFFFAOYSA-N -1 3 301.773 3.634 20 0 DHADHM Cc1cccc([C@H](NCc2cc(=O)[n-]c(C3CC3)n2)C(C)C)c1 ZINC000528767372 340733084 /nfs/dbraw/zinc/73/30/84/340733084.db2.gz KGFZJDAYNQTEHB-GOSISDBHSA-N -1 3 311.429 3.855 20 0 DHADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000529473970 340757109 /nfs/dbraw/zinc/75/71/09/340757109.db2.gz LBQOXMNSEOHGHD-SECBINFHSA-N -1 3 312.207 3.558 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000123777265 340794810 /nfs/dbraw/zinc/79/48/10/340794810.db2.gz RHQLGDYJJDCAGI-INIZCTEOSA-N -1 3 315.344 3.517 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000124759950 340800677 /nfs/dbraw/zinc/80/06/77/340800677.db2.gz 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CC(C)(C)c1ccc([O-])c(NC(=O)C(=O)c2ccc(F)cc2)c1 ZINC000544557040 341085566 /nfs/dbraw/zinc/08/55/66/341085566.db2.gz ZZBPNGJQKJIUBX-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1coc(Br)c1 ZINC000072505781 341087563 /nfs/dbraw/zinc/08/75/63/341087563.db2.gz VRLQTXBZVJJJGA-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM CCc1cccc(-c2nc(Cc3ccc(OC)cc3)no2)c1[O-] ZINC000544615642 341089259 /nfs/dbraw/zinc/08/92/59/341089259.db2.gz RZVOVRWEUASLKL-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(OCC4CC4)nc3)no2)c1 ZINC000545684880 341136154 /nfs/dbraw/zinc/13/61/54/341136154.db2.gz RLXCCMYRXBCPKO-UHFFFAOYSA-N -1 3 323.352 3.601 20 0 DHADHM CCc1cccc(-c2nc([C@H]3CCOc4ccccc43)no2)c1[O-] ZINC000545689395 341136361 /nfs/dbraw/zinc/13/63/61/341136361.db2.gz NSAMJQNOGRASKD-AWEZNQCLSA-N -1 3 322.364 3.919 20 0 DHADHM C[C@@H]1C[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCO1 ZINC000545797906 341141422 /nfs/dbraw/zinc/14/14/22/341141422.db2.gz IRLYGFCSDVAOCX-RISCZKNCSA-N -1 3 314.385 3.604 20 0 DHADHM CCc1c(C)sc2[n-]c(-c3ccc(Cl)cn3)nc(=O)c12 ZINC000132808374 341145910 /nfs/dbraw/zinc/14/59/10/341145910.db2.gz MCROYPIIOFPLDF-UHFFFAOYSA-N -1 3 305.790 3.571 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000132940674 341150171 /nfs/dbraw/zinc/15/01/71/341150171.db2.gz FHPJYCNHRAZGBD-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM C[C@@H]1C[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000546511138 341171572 /nfs/dbraw/zinc/17/15/72/341171572.db2.gz XOJGAYFAJMBBBW-BXUZGUMPSA-N -1 3 310.353 3.878 20 0 DHADHM C[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1F)c1ccccc1 ZINC000133398342 341174526 /nfs/dbraw/zinc/17/45/26/341174526.db2.gz IJRKTRTZZLQLCS-NSHDSACASA-N -1 3 311.353 3.510 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1COc2ccccc21 ZINC000134144182 341207659 /nfs/dbraw/zinc/20/76/59/341207659.db2.gz BXSMPJJXCQVTCP-NSHDSACASA-N -1 3 323.270 3.526 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000076513307 341208773 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ZINC000136073099 341252370 /nfs/dbraw/zinc/25/23/70/341252370.db2.gz VAOFGEKEWJEAKI-UHFFFAOYSA-N -1 3 324.207 3.600 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000136113898 341252983 /nfs/dbraw/zinc/25/29/83/341252983.db2.gz TUOOAOCATDHBBP-QGZVFWFLSA-N -1 3 315.800 3.952 20 0 DHADHM Cc1cncc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000079946407 341267979 /nfs/dbraw/zinc/26/79/79/341267979.db2.gz BUABYBPFGGBTBO-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM COc1ccccc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000138054112 341289882 /nfs/dbraw/zinc/28/98/82/341289882.db2.gz ALGMBJNQCPFKKZ-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM CC(C)(C)C1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000549903638 341306295 /nfs/dbraw/zinc/30/62/95/341306295.db2.gz SNFZYPPEXREZCP-UHFFFAOYSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1cccc([C@@H](C)CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000551040775 341329989 /nfs/dbraw/zinc/32/99/89/341329989.db2.gz ANPWSISRZFPTEU-LBPRGKRZSA-N -1 3 303.789 3.888 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@H](C)c2ccccc2F)c1[O-] ZINC000552069076 341367251 /nfs/dbraw/zinc/36/72/51/341367251.db2.gz ALPYNFNCPPAYCN-NSHDSACASA-N -1 3 315.344 3.866 20 0 DHADHM CCc1ccc2occ(C(=O)NCc3ccc([O-])c(F)c3)c2c1 ZINC000552128485 341371568 /nfs/dbraw/zinc/37/15/68/341371568.db2.gz CJYGJAOEDHGBGB-UHFFFAOYSA-N -1 3 313.328 3.770 20 0 DHADHM CCc1ccccc1OCCC(=O)Nc1ccc([O-])cc1F ZINC000552145809 341373346 /nfs/dbraw/zinc/37/33/46/341373346.db2.gz IVRLGJBQAGGHRM-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-c2cnco2)cc1 ZINC000552434581 341393547 /nfs/dbraw/zinc/39/35/47/341393547.db2.gz PDQDBRLOFBDROX-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM CCc1ccccc1OCC(=O)Nc1c([O-])cccc1Cl ZINC000552434166 341393604 /nfs/dbraw/zinc/39/36/04/341393604.db2.gz DSTPJNBKMJULKN-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM COc1ccc(NC(=O)[C@H](C)Cn2ccc3ccccc32)c([O-])c1 ZINC000552485968 341396015 /nfs/dbraw/zinc/39/60/15/341396015.db2.gz TTWUYGBPRYXCIA-CYBMUJFWSA-N -1 3 324.380 3.630 20 0 DHADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1c([O-])cccc1Cl ZINC000552780899 341404069 /nfs/dbraw/zinc/40/40/69/341404069.db2.gz VTBYVHQXPHBLHH-HNNXBMFYSA-N -1 3 317.772 3.688 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC000089398770 341404159 /nfs/dbraw/zinc/40/41/59/341404159.db2.gz RWCLLNBYEVZTCS-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM [O-]c1cccnc1CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000554861171 341467079 /nfs/dbraw/zinc/46/70/79/341467079.db2.gz JVDJLEPARPTJHX-SFHVURJKSA-N -1 3 322.383 4.000 20 0 DHADHM CC[C@H](Cc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000565942299 341543255 /nfs/dbraw/zinc/54/32/55/341543255.db2.gz QHPRYUYSDUMXGQ-MRXNPFEDSA-N -1 3 309.409 3.940 20 0 DHADHM [O-]c1cccnc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000565989005 341544718 /nfs/dbraw/zinc/54/47/18/341544718.db2.gz ZJCXTEIEHLQCMT-UHFFFAOYSA-N -1 3 324.409 3.538 20 0 DHADHM [O-]c1ccc(CCCc2nc(-c3ccccc3F)no2)cc1F ZINC000566586438 341562528 /nfs/dbraw/zinc/56/25/28/341562528.db2.gz QRIWOEXESAANPU-UHFFFAOYSA-N -1 3 316.307 3.896 20 0 DHADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000155613441 341610244 /nfs/dbraw/zinc/61/02/44/341610244.db2.gz YBCLXILQPVRBOC-DLBZAZTESA-N -1 3 307.393 3.784 20 0 DHADHM O=C([O-])c1cnccc1N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000568516835 341673620 /nfs/dbraw/zinc/67/36/20/341673620.db2.gz PONKWJADMJYQGN-MUJYYYPQSA-N -1 3 308.381 3.695 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccccc1)Cc1ccccc1 ZINC000568564097 341675143 /nfs/dbraw/zinc/67/51/43/341675143.db2.gz MPTPKVUJDHOOLK-UHFFFAOYSA-N -1 3 304.393 3.990 20 0 DHADHM Cc1nc(C2CC2)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000568831508 341682869 /nfs/dbraw/zinc/68/28/69/341682869.db2.gz AZFNZGLLQIHOAS-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM O=C(CCc1cccc(F)c1F)Nc1c([O-])cccc1Cl ZINC000573708616 341736748 /nfs/dbraw/zinc/73/67/48/341736748.db2.gz PRLZSIKFEYGRHS-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM O=C(NCCC1CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000192550855 341874882 /nfs/dbraw/zinc/87/48/82/341874882.db2.gz 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599213123 /nfs/dbraw/zinc/21/31/23/599213123.db2.gz QIYMPINXGGUITJ-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccccc2N2CCCCC2)cc1 ZINC000819683669 597136153 /nfs/dbraw/zinc/13/61/53/597136153.db2.gz GIGGBNBXTJETMK-UHFFFAOYSA-N -1 3 324.424 3.665 20 0 DHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc2ccccc21 ZINC000823797219 607311294 /nfs/dbraw/zinc/31/12/94/607311294.db2.gz NECNKKLYHSOYTD-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM C[C@@H](Sc1ncccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190329 599286948 /nfs/dbraw/zinc/28/69/48/599286948.db2.gz DACURYCJSZTLNV-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1ncccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190329 599286949 /nfs/dbraw/zinc/28/69/49/599286949.db2.gz DACURYCJSZTLNV-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM COc1ccccc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737155617 599290416 /nfs/dbraw/zinc/29/04/16/599290416.db2.gz KEGSZCDAFNJLPS-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1ccccc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 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c1ccc2c(c1)nc(NCCC1=CCCCC1)cc2-c1nnn[n-]1 ZINC000735398547 599392639 /nfs/dbraw/zinc/39/26/39/599392639.db2.gz HBDDEEZMTPNYGL-UHFFFAOYSA-N -1 3 320.400 3.717 20 0 DHADHM c1ccc2c(c1)nc(NCCC1=CCCCC1)cc2-c1nn[n-]n1 ZINC000735398547 599392644 /nfs/dbraw/zinc/39/26/44/599392644.db2.gz HBDDEEZMTPNYGL-UHFFFAOYSA-N -1 3 320.400 3.717 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000822238358 599468373 /nfs/dbraw/zinc/46/83/73/599468373.db2.gz DHUYOUVUBBTPMV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000822238358 599468374 /nfs/dbraw/zinc/46/83/74/599468374.db2.gz DHUYOUVUBBTPMV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Clc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737574783 599515144 /nfs/dbraw/zinc/51/51/44/599515144.db2.gz PIKUJIGHCIEQGP-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737574783 599515145 /nfs/dbraw/zinc/51/51/45/599515145.db2.gz PIKUJIGHCIEQGP-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CCCCC[C@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821050413 599623264 /nfs/dbraw/zinc/62/32/64/599623264.db2.gz RQHCQHLINJMGPM-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCC[C@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821050413 599623265 /nfs/dbraw/zinc/62/32/65/599623265.db2.gz RQHCQHLINJMGPM-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM C[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CC(C)(C)O1 ZINC000315605801 599936858 /nfs/dbraw/zinc/93/68/58/599936858.db2.gz QENBCCGADPVMJO-NSHDSACASA-N -1 3 319.426 3.599 20 0 DHADHM O=C([O-])C1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000037562211 600007190 /nfs/dbraw/zinc/00/71/90/600007190.db2.gz RXVPAFMNANWQDW-UHFFFAOYSA-N -1 3 302.201 3.726 20 0 DHADHM CCOc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000584178028 600082608 /nfs/dbraw/zinc/08/26/08/600082608.db2.gz XVTIIPKARUTSPK-UHFFFAOYSA-N -1 3 317.360 3.555 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCS[C@@H](c2ccccc2)C1 ZINC000736717115 600411867 /nfs/dbraw/zinc/41/18/67/600411867.db2.gz KNZJMAYMBQQZPS-BLLLJJGKSA-N -1 3 317.410 3.829 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCS[C@H](c2ccccc2)C1 ZINC000736717118 600412023 /nfs/dbraw/zinc/41/20/23/600412023.db2.gz KNZJMAYMBQQZPS-WBMJQRKESA-N -1 3 317.410 3.829 20 0 DHADHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737194677 600419368 /nfs/dbraw/zinc/41/93/68/600419368.db2.gz GWMRGOVJKVOOCY-SJKOYZFVSA-N -1 3 317.360 3.701 20 0 DHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737886298 600427239 /nfs/dbraw/zinc/42/72/39/600427239.db2.gz NAKWYSKRWABEKM-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM CC(C)(CCC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000736319706 600444728 /nfs/dbraw/zinc/44/47/28/600444728.db2.gz BCUOZYALWIRMBN-UHFFFAOYSA-N -1 3 310.444 3.605 20 0 DHADHM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)C ZINC000574994757 600507618 /nfs/dbraw/zinc/50/76/18/600507618.db2.gz JJDZPYYQCYTGTN-UHFFFAOYSA-N -1 3 318.442 3.986 20 0 DHADHM Cc1cc(C)cc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832875970 600747652 /nfs/dbraw/zinc/74/76/52/600747652.db2.gz ZLZVLTJCIQQWFF-DYVFJYSZSA-N -1 3 301.361 3.919 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000578660340 600973031 /nfs/dbraw/zinc/97/30/31/600973031.db2.gz CRMORGCTCAWLER-HZPDHXFCSA-N -1 3 321.417 3.538 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2occc2C(=O)[O-])C12CCCCC2 ZINC000520241884 600973212 /nfs/dbraw/zinc/97/32/12/600973212.db2.gz PLBMWWPBTKKPTD-HZPDHXFCSA-N -1 3 321.417 3.538 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000828664556 601432904 /nfs/dbraw/zinc/43/29/04/601432904.db2.gz BXGMEYKYCSAJRT-MRXNPFEDSA-N -1 3 322.405 3.682 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000826053421 601656437 /nfs/dbraw/zinc/65/64/37/601656437.db2.gz IXBPKIKPIUAZAJ-LIRRHRJNSA-N -1 3 320.392 3.786 20 0 DHADHM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832968109 601901950 /nfs/dbraw/zinc/90/19/50/601901950.db2.gz RBCDEGKZOSQMMS-INIZCTEOSA-N -1 3 323.314 3.670 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccc(F)c2)s1 ZINC000833313564 601944236 /nfs/dbraw/zinc/94/42/36/601944236.db2.gz YTTSRGHSEMOZCP-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM O=C([O-])N[C@@H](CNCc1ccc(Cl)s1)c1ccccc1 ZINC000832139719 603176571 /nfs/dbraw/zinc/17/65/71/603176571.db2.gz BVGNYFLCWKNBPX-LBPRGKRZSA-N -1 3 310.806 3.500 20 0 DHADHM Cc1cc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)c(C)s1 ZINC000829980827 603535979 /nfs/dbraw/zinc/53/59/79/603535979.db2.gz REYBCLFJLPVYIS-JTQLQIEISA-N -1 3 305.403 3.701 20 0 DHADHM Cc1cc([C@@H](C)N(C)CCOc2ccc(C)cc2)oc1C(=O)[O-] ZINC000576829757 604381607 /nfs/dbraw/zinc/38/16/07/604381607.db2.gz GGRJLLJJTCHCFO-CQSZACIVSA-N -1 3 317.385 3.666 20 0 DHADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000833644042 605062913 /nfs/dbraw/zinc/06/29/13/605062913.db2.gz KNLZCXJENJDRHU-QGZVFWFLSA-N -1 3 317.360 3.773 20 0 DHADHM CCCOc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000833651838 605087102 /nfs/dbraw/zinc/08/71/02/605087102.db2.gz COFWQRAAHPCXIH-LBPRGKRZSA-N -1 3 303.358 3.617 20 0 DHADHM C[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000520823938 605211360 /nfs/dbraw/zinc/21/13/60/605211360.db2.gz OYTWBBROMNGUFR-STQMWFEESA-N -1 3 314.385 3.660 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652366974 605213131 /nfs/dbraw/zinc/21/31/31/605213131.db2.gz ASEGDQDIPUZESO-BETUJISGSA-N -1 3 314.385 3.803 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000833584502 605316229 /nfs/dbraw/zinc/31/62/29/605316229.db2.gz NPULTKIDMMRFCZ-GOEBONIOSA-N -1 3 321.804 3.624 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1 ZINC000834262338 605573985 /nfs/dbraw/zinc/57/39/85/605573985.db2.gz KGOACEUPGXNHEX-MRXNPFEDSA-N -1 3 300.333 3.693 20 0 DHADHM O=C([O-])NC1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000834163457 605630788 /nfs/dbraw/zinc/63/07/88/605630788.db2.gz NAWKUTHBRYTFJK-UHFFFAOYSA-N -1 3 323.245 3.723 20 0 DHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccsc1C(=O)[O-] ZINC000833605168 605701134 /nfs/dbraw/zinc/70/11/34/605701134.db2.gz IFTVKTNWJOLICM-WCBMZHEXSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C(=O)[O-] ZINC000833604325 605731095 /nfs/dbraw/zinc/73/10/95/605731095.db2.gz DREYDGYPTQYRFL-PWSUYJOCSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@H]1c2ccccc2CN1c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820825940 606137378 /nfs/dbraw/zinc/13/73/78/606137378.db2.gz HUOSDPVYOACZAU-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@H]1c2ccccc2CN1c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820825940 606137379 /nfs/dbraw/zinc/13/73/79/606137379.db2.gz HUOSDPVYOACZAU-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820555033 606326993 /nfs/dbraw/zinc/32/69/93/606326993.db2.gz DZQJDEKLQJVTIW-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820555033 606326994 /nfs/dbraw/zinc/32/69/94/606326994.db2.gz DZQJDEKLQJVTIW-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Cc1cc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000822192004 606430990 /nfs/dbraw/zinc/43/09/90/606430990.db2.gz WQKXSWAAHRRWCJ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000822192004 606430992 /nfs/dbraw/zinc/43/09/92/606430992.db2.gz WQKXSWAAHRRWCJ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM C[C@H](SCCCOC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550607 606849216 /nfs/dbraw/zinc/84/92/16/606849216.db2.gz XLDWQHNTYRJRFO-LBPRGKRZSA-N -1 3 320.462 3.866 20 0 DHADHM C[C@H](SCCCOC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550607 606849217 /nfs/dbraw/zinc/84/92/17/606849217.db2.gz XLDWQHNTYRJRFO-LBPRGKRZSA-N -1 3 320.462 3.866 20 0 DHADHM CC[C@H](C)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000820868889 606984228 /nfs/dbraw/zinc/98/42/28/606984228.db2.gz BWVAWTJTWNKCFC-LBPRGKRZSA-N -1 3 324.388 3.512 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000820555334 607014941 /nfs/dbraw/zinc/01/49/41/607014941.db2.gz JLDJUMWEIYCMNZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000820555334 607014943 /nfs/dbraw/zinc/01/49/43/607014943.db2.gz JLDJUMWEIYCMNZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2o1 ZINC000822221378 607124224 /nfs/dbraw/zinc/12/42/24/607124224.db2.gz MKGDBXWGTXIWDV-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2o1 ZINC000822221378 607124225 /nfs/dbraw/zinc/12/42/25/607124225.db2.gz MKGDBXWGTXIWDV-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM FC(F)(F)CCCCSCc1ccccc1-c1nnn[n-]1 ZINC000826367651 607785244 /nfs/dbraw/zinc/78/52/44/607785244.db2.gz IPGMQSYAIQVYJQ-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM FC(F)(F)CCCCSCc1ccccc1-c1nn[n-]n1 ZINC000826367651 607785245 /nfs/dbraw/zinc/78/52/45/607785245.db2.gz IPGMQSYAIQVYJQ-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM CCCC(CCC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825242736 607792863 /nfs/dbraw/zinc/79/28/63/607792863.db2.gz ZPSRGCFGBFPCSI-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM CCCC(CCC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825242736 607792864 /nfs/dbraw/zinc/79/28/64/607792864.db2.gz ZPSRGCFGBFPCSI-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM Cc1ccncc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826315211 607843948 /nfs/dbraw/zinc/84/39/48/607843948.db2.gz CDKFHNUSFODAIB-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1ccncc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826315211 607843949 /nfs/dbraw/zinc/84/39/49/607843949.db2.gz CDKFHNUSFODAIB-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1cccnc1 ZINC000824757194 607844934 /nfs/dbraw/zinc/84/49/34/607844934.db2.gz UIIALCNRHVOPIV-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1cccnc1 ZINC000824757194 607844935 /nfs/dbraw/zinc/84/49/35/607844935.db2.gz UIIALCNRHVOPIV-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM CCSc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000825674601 607866754 /nfs/dbraw/zinc/86/67/54/607866754.db2.gz OQIOWGCUTIDZGN-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCSc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000825674601 607866755 /nfs/dbraw/zinc/86/67/55/607866755.db2.gz OQIOWGCUTIDZGN-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)CCC ZINC000825220225 608157061 /nfs/dbraw/zinc/15/70/61/608157061.db2.gz QPPBHQSLNIFVQT-UHFFFAOYSA-N -1 3 313.405 3.640 20 0 DHADHM CCCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)CCC ZINC000825220225 608157063 /nfs/dbraw/zinc/15/70/63/608157063.db2.gz QPPBHQSLNIFVQT-UHFFFAOYSA-N -1 3 313.405 3.640 20 0 DHADHM CCCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348376 609162914 /nfs/dbraw/zinc/16/29/14/609162914.db2.gz HWSVYQXPJIXASM-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825348376 609162916 /nfs/dbraw/zinc/16/29/16/609162916.db2.gz HWSVYQXPJIXASM-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658071 609247259 /nfs/dbraw/zinc/24/72/59/609247259.db2.gz VAGWEIQCORUYDT-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658071 609247260 /nfs/dbraw/zinc/24/72/60/609247260.db2.gz VAGWEIQCORUYDT-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CCOCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825604393 609247688 /nfs/dbraw/zinc/24/76/88/609247688.db2.gz IKZMBXQVWYZIEP-CYBMUJFWSA-N -1 3 323.400 3.576 20 0 DHADHM CCOCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825604393 609247690 /nfs/dbraw/zinc/24/76/90/609247690.db2.gz IKZMBXQVWYZIEP-CYBMUJFWSA-N -1 3 323.400 3.576 20 0 DHADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826289675 609348255 /nfs/dbraw/zinc/34/82/55/609348255.db2.gz IYWOABCKKFHXMO-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289675 609348257 /nfs/dbraw/zinc/34/82/57/609348257.db2.gz IYWOABCKKFHXMO-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccsc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737442188 945069118 /nfs/dbraw/zinc/06/91/18/945069118.db2.gz MXAJMUFUMHJJQV-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccsc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737442188 945069130 /nfs/dbraw/zinc/06/91/30/945069130.db2.gz MXAJMUFUMHJJQV-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Clc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822585791 946130926 /nfs/dbraw/zinc/13/09/26/946130926.db2.gz NLXVIYGTUDFDCU-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822585791 946130931 /nfs/dbraw/zinc/13/09/31/946130931.db2.gz NLXVIYGTUDFDCU-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM c1ccc2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000823802408 946483754 /nfs/dbraw/zinc/48/37/54/946483754.db2.gz MKMMIJQCQUBFDK-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000823802408 946483764 /nfs/dbraw/zinc/48/37/64/946483764.db2.gz MKMMIJQCQUBFDK-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC[C@H](C)C1 ZINC001576151499 949220705 /nfs/dbraw/zinc/22/07/05/949220705.db2.gz FXTWLQAWIMJSOI-DCAQKATOSA-N -1 3 320.828 3.542 20 0 DHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC[C@H](C)C1 ZINC001576151499 949220725 /nfs/dbraw/zinc/22/07/25/949220725.db2.gz FXTWLQAWIMJSOI-DCAQKATOSA-N -1 3 320.828 3.542 20 0 DHADHM C[C@]1(c2ccccc2)CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575858007 949283144 /nfs/dbraw/zinc/28/31/44/949283144.db2.gz YDFCLZRKZRKWSB-HKUYNNGSSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@]1(c2ccccc2)CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575858007 949283165 /nfs/dbraw/zinc/28/31/65/949283165.db2.gz YDFCLZRKZRKWSB-HKUYNNGSSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@@H]1CCC[C@@H](CCSc2ccncc2-c2nnn[n-]2)C1 ZINC001576156957 949467414 /nfs/dbraw/zinc/46/74/14/949467414.db2.gz YPUNLQJFLHPCKI-NEPJUHHUSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H]1CCC[C@@H](CCSc2ccncc2-c2nn[n-]n2)C1 ZINC001576156957 949467427 /nfs/dbraw/zinc/46/74/27/949467427.db2.gz YPUNLQJFLHPCKI-NEPJUHHUSA-N -1 3 303.435 3.570 20 0 DHADHM CC(C)CC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001574184137 950776612 /nfs/dbraw/zinc/77/66/12/950776612.db2.gz FNYMJEBDPYKQPL-CYBMUJFWSA-N -1 3 302.426 3.525 20 0 DHADHM CC(C)CC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001574184137 950776622 /nfs/dbraw/zinc/77/66/22/950776622.db2.gz FNYMJEBDPYKQPL-CYBMUJFWSA-N -1 3 302.426 3.525 20 0 DHADHM O=C([O-])CCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001595055516 951490610 /nfs/dbraw/zinc/49/06/10/951490610.db2.gz MWLGTYJSFVUTDV-ZDUSSCGKSA-N -1 3 301.308 3.707 20 0 DHADHM CC(C)(C)SCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602921243 971876872 /nfs/dbraw/zinc/87/68/72/971876872.db2.gz AKJVNKOJOUDOIF-HNNXBMFYSA-N -1 3 307.459 3.592 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCc1cccc(Cl)c1Cl ZINC001589308527 953774481 /nfs/dbraw/zinc/77/44/81/953774481.db2.gz UXLVDQLGOSSGQN-PWSUYJOCSA-N -1 3 316.228 3.721 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000180742558 1013138521 /nfs/dbraw/zinc/13/85/21/1013138521.db2.gz YUQHFOWUJIWMFD-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)nc1 ZINC001589124410 956157976 /nfs/dbraw/zinc/15/79/76/956157976.db2.gz XFRPOUCWOJVKPJ-COLVAYQJSA-N -1 3 316.788 3.699 20 0 DHADHM C[C@](NCc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000053161649 957516305 /nfs/dbraw/zinc/51/63/05/957516305.db2.gz YKIIHWUXDIZQOH-MRXNPFEDSA-N -1 3 307.752 3.569 20 0 DHADHM COc1ccccc1C1(NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC001594144112 958748160 /nfs/dbraw/zinc/74/81/60/958748160.db2.gz LZZDJRMPWIOHSW-UHFFFAOYSA-N -1 3 311.381 3.562 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221545572 959809415 /nfs/dbraw/zinc/80/94/15/959809415.db2.gz RTGVEGJDHKAWPV-WCABBAIRSA-N -1 3 302.201 3.849 20 0 DHADHM CSCc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001574257642 960546991 /nfs/dbraw/zinc/54/69/91/960546991.db2.gz SUVUXHNLJGIECA-INIZCTEOSA-N -1 3 319.401 3.604 20 0 DHADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000340022954 1013203600 /nfs/dbraw/zinc/20/36/00/1013203600.db2.gz LXCPVPOUNSDZDH-LLVKDONJSA-N -1 3 301.773 3.805 20 0 DHADHM CCc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])s1)CCO2 ZINC001573956725 961676058 /nfs/dbraw/zinc/67/60/58/961676058.db2.gz PAUGWMDTCMJEQK-CQSZACIVSA-N -1 3 317.410 3.622 20 0 DHADHM O=C([O-])CC1CC(N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC001334026608 961752199 /nfs/dbraw/zinc/75/21/99/961752199.db2.gz NWBGNRWDEJDTBK-LDUAJXOISA-N -1 3 319.298 3.662 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263411604 962578478 /nfs/dbraw/zinc/57/84/78/962578478.db2.gz LOWIWAGNLIESMG-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263415018 962583029 /nfs/dbraw/zinc/58/30/29/962583029.db2.gz MWIMEPJCERWOHO-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM Cc1ccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1C ZINC001167262131 1013474860 /nfs/dbraw/zinc/47/48/60/1013474860.db2.gz ZFZWNWXZSMDURV-UHFFFAOYSA-N -1 3 309.369 3.695 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)cc1Cl ZINC000155435382 1013550039 /nfs/dbraw/zinc/55/00/39/1013550039.db2.gz WMOFDMFBSBKWCY-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)cc1Cl ZINC000155435382 1013550041 /nfs/dbraw/zinc/55/00/41/1013550041.db2.gz WMOFDMFBSBKWCY-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM Cc1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)sc1C ZINC000683533620 1013592790 /nfs/dbraw/zinc/59/27/90/1013592790.db2.gz JWDGDJUXLUTVFB-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM COC(=O)Cc1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222451 1013709678 /nfs/dbraw/zinc/70/96/78/1013709678.db2.gz ICNYAYIYUHMHBM-UHFFFAOYSA-N -1 3 309.724 3.644 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)CC[C@@H]1C(=O)[O-] ZINC000625970639 968513615 /nfs/dbraw/zinc/51/36/15/968513615.db2.gz WLISMKNELBAUKA-CJNGLKHVSA-N -1 3 315.369 3.615 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(SC)cc2OC)c1[O-] ZINC000683649815 1013811098 /nfs/dbraw/zinc/81/10/98/1013811098.db2.gz DTTIFMGGMWZDBL-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)s1 ZINC000903681793 969584431 /nfs/dbraw/zinc/58/44/31/969584431.db2.gz JFDCFWKJGLQGFB-CYBMUJFWSA-N -1 3 321.373 3.589 20 0 DHADHM O=C([O-])CN(Cc1cc(C(F)(F)F)ccc1Cl)C1CCC1 ZINC000656101595 1013995728 /nfs/dbraw/zinc/99/57/28/1013995728.db2.gz PFCJYDBWDQWOPL-UHFFFAOYSA-N -1 3 321.726 3.798 20 0 DHADHM Nc1cnc(Nc2cccc([O-])c2Cl)c(Br)c1 ZINC001210853793 1014072880 /nfs/dbraw/zinc/07/28/80/1014072880.db2.gz JZVNEOSKVPNIKT-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM Cc1csc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)n1 ZINC000049276464 1014092324 /nfs/dbraw/zinc/09/23/24/1014092324.db2.gz UKLKHQZDSGUUDO-UHFFFAOYSA-N -1 3 316.760 3.513 20 0 DHADHM Brc1ccc(-c2cc([N-]c3ccncn3)on2)cc1 ZINC001211022594 1014104748 /nfs/dbraw/zinc/10/47/48/1014104748.db2.gz AAXFIUSUAOQDRN-UHFFFAOYSA-N -1 3 317.146 3.638 20 0 DHADHM O=C([O-])c1ccc(F)c2c1CN([C@@H]1C=CCCCCC1)CC2 ZINC000530170630 974361314 /nfs/dbraw/zinc/36/13/14/974361314.db2.gz ULJRKSHFZBDJSW-CYBMUJFWSA-N -1 3 303.377 3.771 20 0 DHADHM COc1cccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])c1 ZINC000563279176 974524519 /nfs/dbraw/zinc/52/45/19/974524519.db2.gz YLJKBFUEEUOZCP-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM CN(Cc1cccc(C(=O)[O-])c1Cl)C1Cc2ccccc2C1 ZINC000566979522 974625842 /nfs/dbraw/zinc/62/58/42/974625842.db2.gz VFGWAXQFNFXSBT-UHFFFAOYSA-N -1 3 315.800 3.637 20 0 DHADHM Cc1ccc([C@H]2[C@H](C)CCCN2Cc2oncc2C(=O)[O-])cc1 ZINC000567359501 974632868 /nfs/dbraw/zinc/63/28/68/974632868.db2.gz XGYSHTQKCWTJKR-CXAGYDPISA-N -1 3 314.385 3.654 20 0 DHADHM C[C@H](CN(C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000568062588 974658213 /nfs/dbraw/zinc/65/82/13/974658213.db2.gz IXSPFSGYUWCYIX-MNOVXSKESA-N -1 3 322.792 3.709 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccc(Cl)cc1 ZINC000578137793 974848531 /nfs/dbraw/zinc/84/85/31/974848531.db2.gz XETUUAYWOCDHGA-NSHDSACASA-N -1 3 323.776 3.703 20 0 DHADHM CN(CCC(C)(C)C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652416809 975527137 /nfs/dbraw/zinc/52/71/37/975527137.db2.gz FGVVFXLITVNPNZ-CYBMUJFWSA-N -1 3 301.789 3.973 20 0 DHADHM CC(C)OCc1ccccc1CNCc1ccsc1C(=O)[O-] ZINC001591735780 975727384 /nfs/dbraw/zinc/72/73/84/975727384.db2.gz YTPFWEWDNVIVPH-UHFFFAOYSA-N -1 3 319.426 3.661 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCCC2)c1ccsc1 ZINC000417541131 1014303246 /nfs/dbraw/zinc/30/32/46/1014303246.db2.gz YAUONXNZXMIESF-KRWDZBQOSA-N -1 3 315.438 3.933 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc2ccccc2[nH]1 ZINC001211303404 1014330472 /nfs/dbraw/zinc/33/04/72/1014330472.db2.gz RRZCPFWEXXDCJA-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM CCCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598778 1014355797 /nfs/dbraw/zinc/35/57/97/1014355797.db2.gz WCFZMUDLTCKHFO-UHFFFAOYSA-N -1 3 310.246 3.770 20 0 DHADHM O=C([O-])c1ccc(CNC2CC3(CCC3)C2)c(Br)c1 ZINC000700238167 976939307 /nfs/dbraw/zinc/93/93/07/976939307.db2.gz VAZMQXRKEXBUGQ-UHFFFAOYSA-N -1 3 324.218 3.570 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2F)c1 ZINC000036752725 1014365214 /nfs/dbraw/zinc/36/52/14/1014365214.db2.gz ZVVMYDIXVGSHQQ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM C[C@@H](CN(Cc1ccc(Cl)o1)Cc1ccccc1)C(=O)[O-] ZINC001592604588 978544004 /nfs/dbraw/zinc/54/40/04/978544004.db2.gz HTTDRQWLRYWTGW-LBPRGKRZSA-N -1 3 307.777 3.656 20 0 DHADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1CCC(C)C ZINC000427698653 1014515704 /nfs/dbraw/zinc/51/57/04/1014515704.db2.gz QVVATFCTIMFHLD-UHFFFAOYSA-N -1 3 319.380 3.589 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccc(SC(F)F)cc2)c1 ZINC000756301335 978697602 /nfs/dbraw/zinc/69/76/02/978697602.db2.gz NEVCFPMAMUIUQD-UHFFFAOYSA-N -1 3 323.364 3.989 20 0 DHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(F)(F)[C@H](C)C3)c2c1 ZINC000581193788 1014609615 /nfs/dbraw/zinc/60/96/15/1014609615.db2.gz QTPWYZBZRMYYJH-LLVKDONJSA-N -1 3 320.339 3.723 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@](F)(c3ccccc3)C2)cc1 ZINC000864361645 979933091 /nfs/dbraw/zinc/93/30/91/979933091.db2.gz MDZFVPPGKTZVBQ-IBGZPJMESA-N -1 3 313.372 3.846 20 0 DHADHM Cc1oc(CN2CCC(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000864361749 979933248 /nfs/dbraw/zinc/93/32/48/979933248.db2.gz QBQSFZZQBDOUIZ-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM CC(F)(F)CCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001592939216 980005167 /nfs/dbraw/zinc/00/51/67/980005167.db2.gz STCPFGGONMSOLX-NSHDSACASA-N -1 3 309.715 3.630 20 0 DHADHM CCOC(C)(C)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000901457392 980296616 /nfs/dbraw/zinc/29/66/16/980296616.db2.gz ONPHUOUOXZILQJ-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM CC[C@H](N[C@@H](CO)c1sccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595281560 980336417 /nfs/dbraw/zinc/33/64/17/980336417.db2.gz QRAUMUCAJXNQJE-GJZGRUSLSA-N -1 3 319.426 3.529 20 0 DHADHM O=C([O-])CC1(NCc2csc(-c3cccs3)n2)CCCC1 ZINC000901686228 980450176 /nfs/dbraw/zinc/45/01/76/980450176.db2.gz AYOZUFDVHFXDTJ-UHFFFAOYSA-N -1 3 322.455 3.749 20 0 DHADHM C[C@@H](N[C@@H](C)CCc1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC000901909604 980622760 /nfs/dbraw/zinc/62/27/60/980622760.db2.gz DHSFCXWHKPZLQZ-WDEREUQCSA-N -1 3 322.405 3.652 20 0 DHADHM Cc1cccc(CC[C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000901912133 980623597 /nfs/dbraw/zinc/62/35/97/980623597.db2.gz OORMRWCIKUXCQY-QWHCGFSZSA-N -1 3 318.442 3.822 20 0 DHADHM C[C@H](NC1CC(c2ccccc2F)C1)c1ncc(C(=O)[O-])s1 ZINC000901913606 980624886 /nfs/dbraw/zinc/62/48/86/980624886.db2.gz ZUTZIIOJTCVCRU-WHXUTIOJSA-N -1 3 320.389 3.577 20 0 DHADHM CCCOc1ccc(CNCc2csc(C(=O)[O-])c2)cc1 ZINC000902103783 980735673 /nfs/dbraw/zinc/73/56/73/980735673.db2.gz CZYSFXRCIZOJGI-UHFFFAOYSA-N -1 3 305.399 3.525 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)Cc1ccccc1C(=O)[O-] ZINC001595364506 980794746 /nfs/dbraw/zinc/79/47/46/980794746.db2.gz WXUQOHMTKLMIAM-QGZVFWFLSA-N -1 3 313.397 3.977 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000128677064 1014687205 /nfs/dbraw/zinc/68/72/05/1014687205.db2.gz OGDNYXVQOYLASR-GXSJLCMTSA-N -1 3 307.271 3.552 20 0 DHADHM CC[C@H](NCCC(C)(C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000902364202 980853921 /nfs/dbraw/zinc/85/39/21/980853921.db2.gz NVXJTPROOYMODP-QMMMGPOBSA-N -1 3 324.368 3.704 20 0 DHADHM COc1cccc(C2(NCc3csc(C(=O)[O-])c3)CCC2)c1 ZINC000902373376 980859974 /nfs/dbraw/zinc/85/99/74/980859974.db2.gz RMFCKFWCTHZKEV-UHFFFAOYSA-N -1 3 317.410 3.624 20 0 DHADHM O=C([O-])c1cccc2c(CN3CCC4(CCC4)CC3)ccnc12 ZINC000902431540 980883417 /nfs/dbraw/zinc/88/34/17/980883417.db2.gz KBFZIZSAUBSXGG-UHFFFAOYSA-N -1 3 310.397 3.699 20 0 DHADHM CCC(CC)(CNCc1cc(C(=O)[O-])c(C)o1)C(F)(F)F ZINC000902494248 980909693 /nfs/dbraw/zinc/90/96/93/980909693.db2.gz GGWAMROMVGMSHG-UHFFFAOYSA-N -1 3 307.312 3.745 20 0 DHADHM CCc1oc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000902497610 980911043 /nfs/dbraw/zinc/91/10/43/980911043.db2.gz QEOIHCUZSURZEZ-VXGBXAGGSA-N -1 3 317.307 3.527 20 0 DHADHM CC(C)(C)Oc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC000902500729 980911504 /nfs/dbraw/zinc/91/15/04/980911504.db2.gz HSQYZINMDCGEBR-UHFFFAOYSA-N -1 3 319.426 3.913 20 0 DHADHM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000903601075 980982883 /nfs/dbraw/zinc/98/28/83/980982883.db2.gz FDHHQTBRGDQMOQ-OTYXRUKQSA-N -1 3 316.228 3.851 20 0 DHADHM CCN(Cc1cncc(C(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000903888326 981022578 /nfs/dbraw/zinc/02/25/78/981022578.db2.gz YSZYMJRJWTZRGK-GFCCVEGCSA-N -1 3 302.349 3.502 20 0 DHADHM Cc1ccc(C)c(C2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000903961546 981078321 /nfs/dbraw/zinc/07/83/21/981078321.db2.gz BCOFNCVSGCXWTO-UHFFFAOYSA-N -1 3 313.397 3.974 20 0 DHADHM Cc1cccnc1[C@@H](NCc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000904267579 981084532 /nfs/dbraw/zinc/08/45/32/981084532.db2.gz GPRLKKONPSUCGO-QGZVFWFLSA-N -1 3 312.413 3.965 20 0 DHADHM CC(C)CC1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000442572212 1014704901 /nfs/dbraw/zinc/70/49/01/1014704901.db2.gz VMQXGQPOOJEERS-UHFFFAOYSA-N -1 3 312.207 3.920 20 0 DHADHM CCC(C)(C)N(C)Cc1cc(C(=O)[O-])ccc1Br ZINC001594804369 981902174 /nfs/dbraw/zinc/90/21/74/981902174.db2.gz CZXDGCAWUHNGET-UHFFFAOYSA-N -1 3 314.223 3.768 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCC(C(F)(F)F)CC1 ZINC000322171305 1014870594 /nfs/dbraw/zinc/87/05/94/1014870594.db2.gz LVTFUFVPKRUFPB-UHFFFAOYSA-N -1 3 324.302 3.712 20 0 DHADHM CCCCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151600179 1014930261 /nfs/dbraw/zinc/93/02/61/1014930261.db2.gz NBHWQLKUBCMGNU-UHFFFAOYSA-N -1 3 314.223 3.741 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1 ZINC001596371295 983867932 /nfs/dbraw/zinc/86/79/32/983867932.db2.gz LBQQWQXKCVNLQH-UHFFFAOYSA-N -1 3 312.413 3.545 20 0 DHADHM C/C(=C\CN[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588982103 984873198 /nfs/dbraw/zinc/87/31/98/984873198.db2.gz NRIRISIENRYBFP-QRJSTWQJSA-N -1 3 319.735 3.623 20 0 DHADHM C/C(=C/CN[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588982104 984873577 /nfs/dbraw/zinc/87/35/77/984873577.db2.gz NRIRISIENRYBFP-RDOCRHDPSA-N -1 3 319.735 3.623 20 0 DHADHM Cc1ccc(CCCC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000754717524 1015071106 /nfs/dbraw/zinc/07/11/06/1015071106.db2.gz UPPLXODAZGJVKX-UHFFFAOYSA-N -1 3 301.361 3.705 20 0 DHADHM C/C(=C/c1ccccc1)CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001589003574 984954320 /nfs/dbraw/zinc/95/43/20/984954320.db2.gz DXTLCTLTMJZHRB-QJWNTBNXSA-N -1 3 317.335 3.784 20 0 DHADHM COc1cccc(CN2CCCC[C@H]2CCC(=O)[O-])c1Cl ZINC000656755966 1015128389 /nfs/dbraw/zinc/12/83/89/1015128389.db2.gz FMPJMBCXZSAFMV-ZDUSSCGKSA-N -1 3 311.809 3.568 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129766892 1015148967 /nfs/dbraw/zinc/14/89/67/1015148967.db2.gz HWGKYVWTDIPZFP-UHFFFAOYSA-N -1 3 303.333 3.961 20 0 DHADHM Cc1cc(CN2CCC[C@H]2/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000581672125 1015192812 /nfs/dbraw/zinc/19/28/12/1015192812.db2.gz URWDDFQHAORZQG-YDZSZYSISA-N -1 3 311.381 3.964 20 0 DHADHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597074818 986602900 /nfs/dbraw/zinc/60/29/00/986602900.db2.gz VULROJTWUYARSF-NHYWBVRUSA-N -1 3 305.399 3.623 20 0 DHADHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597074819 986602945 /nfs/dbraw/zinc/60/29/45/986602945.db2.gz VULROJTWUYARSF-XHDPSFHLSA-N -1 3 305.399 3.623 20 0 DHADHM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1F ZINC001597291573 987379276 /nfs/dbraw/zinc/37/92/76/987379276.db2.gz MBQCTCCIGPCVIZ-SJORKVTESA-N -1 3 317.360 3.701 20 0 DHADHM CCc1[nH]c(CN2CC3(CCCC3)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001597383403 987582841 /nfs/dbraw/zinc/58/28/41/987582841.db2.gz FAFIMZOCIIAAQK-INIZCTEOSA-N -1 3 304.434 3.676 20 0 DHADHM CC(C)(C)[C@H](NCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001589720163 987881564 /nfs/dbraw/zinc/88/15/64/987881564.db2.gz MQSRMIAQOKMSPT-CYBMUJFWSA-N -1 3 322.792 3.584 20 0 DHADHM CC(C)(C)c1csc(C(=O)[N-]c2ccnc(Cl)c2F)n1 ZINC000891514820 1015346694 /nfs/dbraw/zinc/34/66/94/1015346694.db2.gz BGOCZNLLMJDUQE-UHFFFAOYSA-N -1 3 313.785 3.880 20 0 DHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC001590399188 989934140 /nfs/dbraw/zinc/93/41/40/989934140.db2.gz ZADACACWZUZXKQ-LSDHHAIUSA-N -1 3 323.408 3.596 20 0 DHADHM Cn1ccc2c1cccc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000588925783 1015558997 /nfs/dbraw/zinc/55/89/97/1015558997.db2.gz MZHXHXYOKNSPJX-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM CC(C)(NCC1(CC(=O)[O-])CC1)c1nc2cc(Cl)ccc2o1 ZINC001590866906 990763943 /nfs/dbraw/zinc/76/39/43/990763943.db2.gz UIBYVOSEMHCNPK-UHFFFAOYSA-N -1 3 322.792 3.561 20 0 DHADHM Cc1nc2ccc(Nc3ncc(Br)cc3[O-])cc2o1 ZINC001213063054 1015587539 /nfs/dbraw/zinc/58/75/39/1015587539.db2.gz RAAUSFQNMDSTOL-UHFFFAOYSA-N -1 3 320.146 3.743 20 0 DHADHM COc1ccccc1[C@H](CC(C)C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001599698621 991186184 /nfs/dbraw/zinc/18/61/84/991186184.db2.gz PFQGENIECHSPEE-HNNXBMFYSA-N -1 3 316.401 3.599 20 0 DHADHM CC(C)CCc1nc(CNC2(CC(=O)[O-])CCCC2)cs1 ZINC001591270399 992189024 /nfs/dbraw/zinc/18/90/24/992189024.db2.gz QEVNHXIHQHJPKU-UHFFFAOYSA-N -1 3 310.463 3.609 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])cc1F)C(C)(C)c1ccccc1 ZINC001598513639 992593192 /nfs/dbraw/zinc/59/31/92/992593192.db2.gz QLYZLFGCTMBPMH-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C(C)(C)CC(=O)[O-] ZINC001598538115 992864773 /nfs/dbraw/zinc/86/47/73/992864773.db2.gz DPLXDTZLULRYBQ-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM CN(Cc1ncc(C(=O)[O-])s1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598538349 992867597 /nfs/dbraw/zinc/86/75/97/992867597.db2.gz QEYGVORKPDTSDK-ZIAGYGMSSA-N -1 3 316.426 3.609 20 0 DHADHM C[C@H](CC(=O)[N-]OCc1ccccn1)Cc1ccc(Cl)cc1 ZINC000909540329 1015787062 /nfs/dbraw/zinc/78/70/62/1015787062.db2.gz MKCAECRYCGIQGF-ZDUSSCGKSA-N -1 3 318.804 3.552 20 0 DHADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncccc1[O-] ZINC000341898484 1015838109 /nfs/dbraw/zinc/83/81/09/1015838109.db2.gz GMPNOWABMGBOEM-JTQLQIEISA-N -1 3 324.302 3.623 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])n1)c1cccc2ccccc21 ZINC001593304056 994742564 /nfs/dbraw/zinc/74/25/64/994742564.db2.gz GXRMKBRTUOGWTO-ZDUSSCGKSA-N -1 3 306.365 3.784 20 0 DHADHM COc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])cs2)c1C ZINC001599674454 994872690 /nfs/dbraw/zinc/87/26/90/994872690.db2.gz OWCVQFPIPZBTDZ-NSHDSACASA-N -1 3 305.399 3.614 20 0 DHADHM C[C@@H](Oc1ccccc1CN1CC(C2CCCCC2)C1)C(=O)[O-] ZINC001593644764 995966703 /nfs/dbraw/zinc/96/67/03/995966703.db2.gz MWLMJCFLVHYMPP-CQSZACIVSA-N -1 3 317.429 3.551 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001599393099 997075248 /nfs/dbraw/zinc/07/52/48/997075248.db2.gz DCRRDWYNUCUMPC-NSHDSACASA-N -1 3 305.399 3.614 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccccc1C ZINC001599499007 997075966 /nfs/dbraw/zinc/07/59/66/997075966.db2.gz NRECOJSJIKVXFR-CQSZACIVSA-N -1 3 313.397 3.895 20 0 DHADHM [O-]c1cccc(CN2CC(c3ccccc3)C2)c1Br ZINC001140550949 1016350097 /nfs/dbraw/zinc/35/00/97/1016350097.db2.gz QEVMTPQWKFLAIN-UHFFFAOYSA-N -1 3 318.214 3.754 20 0 DHADHM CCc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)c([O-])c1 ZINC000622385338 1016384627 /nfs/dbraw/zinc/38/46/27/1016384627.db2.gz MBXDVLJJQNRQBX-UHFFFAOYSA-N -1 3 315.800 3.807 20 0 DHADHM Cc1oc(CN2CCC[C@H]2/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000563282129 1016498955 /nfs/dbraw/zinc/49/89/55/1016498955.db2.gz FPDBXCRTYMKOHE-YDZSZYSISA-N -1 3 311.381 3.964 20 0 DHADHM CC1(C)CC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000541944004 1036465875 /nfs/dbraw/zinc/46/58/75/1036465875.db2.gz KMIPTOVSXMAQKN-SECBINFHSA-N -1 3 312.207 3.920 20 0 DHADHM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1ccccc1[O-] ZINC000622732853 1016541634 /nfs/dbraw/zinc/54/16/34/1016541634.db2.gz BFIGOHWWYDKKIJ-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000622735926 1016543344 /nfs/dbraw/zinc/54/33/44/1016543344.db2.gz JWLOVYSSCNEXOM-UHFFFAOYSA-N -1 3 321.829 3.868 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c1[O-] ZINC000622750389 1016566241 /nfs/dbraw/zinc/56/62/41/1016566241.db2.gz GUFAMVYEJXJASK-INIZCTEOSA-N -1 3 301.430 3.997 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 ZINC000622751163 1016570088 /nfs/dbraw/zinc/57/00/88/1016570088.db2.gz ZUOIWOZTQPAHDI-INIZCTEOSA-N -1 3 301.430 3.997 20 0 DHADHM Cc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000023492228 1016695443 /nfs/dbraw/zinc/69/54/43/1016695443.db2.gz YILMQSYPESBLCA-UHFFFAOYSA-N -1 3 323.314 3.692 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000320473880 1016799720 /nfs/dbraw/zinc/79/97/20/1016799720.db2.gz RCTPDAVNINOVNM-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM CC(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)(C1CC1)C1CC1 ZINC000623032139 1016840446 /nfs/dbraw/zinc/84/04/46/1016840446.db2.gz IZLDXPVUFOGBLU-UHFFFAOYSA-N -1 3 313.319 3.720 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(N2CCCC2)c(F)c1 ZINC000174892763 1016843780 /nfs/dbraw/zinc/84/37/80/1016843780.db2.gz FYIXLYGTJSXULN-UHFFFAOYSA-N -1 3 318.323 3.523 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(Oc2ccncc2)c1 ZINC000174886375 1016843827 /nfs/dbraw/zinc/84/38/27/1016843827.db2.gz VKOGYOOWGZYFEK-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174898332 1016843928 /nfs/dbraw/zinc/84/39/28/1016843928.db2.gz RIJOEXALCDEBON-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)cc1F ZINC000322769288 1032235368 /nfs/dbraw/zinc/23/53/68/1032235368.db2.gz BOQBRRRZWSUIKJ-SWHYSGLUSA-N -1 3 317.364 3.565 20 0 DHADHM COc1cccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c1[O-] ZINC000089222467 1032329464 /nfs/dbraw/zinc/32/94/64/1032329464.db2.gz PBQWVLILJLPGBH-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3cc(F)ccc3c2)c1[O-] ZINC001148201735 1032378146 /nfs/dbraw/zinc/37/81/46/1032378146.db2.gz GSUJFSCCJPGCHJ-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(CC)cc2[O-])C1(CC)CC ZINC001148355319 1032390452 /nfs/dbraw/zinc/39/04/52/1032390452.db2.gz QZESBKONJODWQP-DLBZAZTESA-N -1 3 319.445 3.668 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000666942231 1032535713 /nfs/dbraw/zinc/53/57/13/1032535713.db2.gz CKXAEBHZIVGBPR-OAHLLOKOSA-N -1 3 305.443 3.909 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000537643415 1032567834 /nfs/dbraw/zinc/56/78/34/1032567834.db2.gz ANWUANBVNQHNEP-KRWDZBQOSA-N -1 3 309.409 3.802 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2Cl)nc(C)n1 ZINC000049404301 1011894186 /nfs/dbraw/zinc/89/41/86/1011894186.db2.gz FQEOFLLLXBWILD-HSBSLETESA-N -1 3 311.772 3.637 20 0 DHADHM Fc1cc(-c2noc(-c3cc(Cl)n[n-]3)n2)c(F)cc1Cl ZINC001213500691 1011996258 /nfs/dbraw/zinc/99/62/58/1011996258.db2.gz PBQWLCIEMQXXGX-UHFFFAOYSA-N -1 3 317.082 3.712 20 0 DHADHM Cc1cnc(=S)[n-]c1O[C@@H](c1ccccc1)C(F)(F)F ZINC001225742059 1012286239 /nfs/dbraw/zinc/28/62/39/1012286239.db2.gz GGGZVGAGMMRPGU-JTQLQIEISA-N -1 3 300.305 3.756 20 0 DHADHM O=C(OCCOc1ccccc1F)c1cc(Cl)c(Cl)[n-]1 ZINC000011809252 1032616928 /nfs/dbraw/zinc/61/69/28/1032616928.db2.gz MENLGBNUCZNCQU-UHFFFAOYSA-N -1 3 318.131 3.696 20 0 DHADHM O=[S@](Cc1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000108084277 1012367606 /nfs/dbraw/zinc/36/76/06/1012367606.db2.gz NOGZROJPESNUHB-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM O=[S@@](Cc1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000108086765 1012381940 /nfs/dbraw/zinc/38/19/40/1012381940.db2.gz ALWBRTQDVRGGKI-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000109036959 1012407051 /nfs/dbraw/zinc/40/70/51/1012407051.db2.gz WLKBCULBQDCMEG-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(C)c1[O-])C[C@@H](C)O2 ZINC000537680994 1032635792 /nfs/dbraw/zinc/63/57/92/1032635792.db2.gz WXBLMYVMXWQVFY-CYBMUJFWSA-N -1 3 311.381 3.745 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCC(F)(F)CC1 ZINC000655341034 1012668744 /nfs/dbraw/zinc/66/87/44/1012668744.db2.gz LZZUEDCDDZFKPW-SECBINFHSA-N -1 3 317.763 3.989 20 0 DHADHM [O-]c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1F ZINC000892282560 1017182200 /nfs/dbraw/zinc/18/22/00/1017182200.db2.gz YCGHMIJZCQDGNV-INIZCTEOSA-N -1 3 317.360 3.701 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1cc2cccc(F)c2o1 ZINC000151949670 1017437951 /nfs/dbraw/zinc/43/79/51/1017437951.db2.gz QDMIWEPYVHHWKQ-UHFFFAOYSA-N -1 3 303.318 3.553 20 0 DHADHM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC000038027655 1017518392 /nfs/dbraw/zinc/51/83/92/1017518392.db2.gz SFLKMCWLBIBDSX-ZDUSSCGKSA-N -1 3 301.308 3.535 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000874696877 1032707006 /nfs/dbraw/zinc/70/70/06/1032707006.db2.gz QSFQOIALKAPBMH-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM O=c1[n-]c(NCc2cccc3ncoc32)c(Cl)cc1Cl ZINC001171449771 1032709284 /nfs/dbraw/zinc/70/92/84/1032709284.db2.gz XUDWVYRSOCVLEY-UHFFFAOYSA-N -1 3 310.140 3.847 20 0 DHADHM Cn1nc(-c2ccccc2)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373707 1017624698 /nfs/dbraw/zinc/62/46/98/1017624698.db2.gz URAOVJNZSIDRNP-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000625658861 1017748982 /nfs/dbraw/zinc/74/89/82/1017748982.db2.gz KYSQCZVJKUPYBD-HNNXBMFYSA-N -1 3 313.422 3.631 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213375400 1017785527 /nfs/dbraw/zinc/78/55/27/1017785527.db2.gz YTBYAMFCXRKTSW-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3c[nH]c4ccccc43)no2)c1 ZINC000445446413 1017867302 /nfs/dbraw/zinc/86/73/02/1017867302.db2.gz OFZDTWFVAJYBHB-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2Cl)C(C)C)n1 ZINC000183693919 1018038905 /nfs/dbraw/zinc/03/89/05/1018038905.db2.gz NHGVEPJEQGEPOE-QGZVFWFLSA-N -1 3 319.836 3.885 20 0 DHADHM [O-]c1c(F)cc(Nc2ccnn2-c2cccc(F)c2)cc1F ZINC001213377380 1018043903 /nfs/dbraw/zinc/04/39/03/1018043903.db2.gz MOMZHONCJHXDMP-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM Cc1ccc(C(=O)CCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000184890920 1018099304 /nfs/dbraw/zinc/09/93/04/1018099304.db2.gz FUKMCELTLHGFPZ-UHFFFAOYSA-N -1 3 315.344 3.831 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(F)c2F)CC)n1 ZINC000193618098 1018151711 /nfs/dbraw/zinc/15/17/11/1018151711.db2.gz VOLFSBRBBWUWHG-PKNBQFBNSA-N -1 3 304.340 3.951 20 0 DHADHM COc1cc(SC)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000193259003 1018262167 /nfs/dbraw/zinc/26/21/67/1018262167.db2.gz OXTWVXSAYFGVOE-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193272390 1018271931 /nfs/dbraw/zinc/27/19/31/1018271931.db2.gz JVYQLFZGNNUJJY-JTQLQIEISA-N -1 3 305.761 3.584 20 0 DHADHM CCCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OC ZINC000764441726 1018284110 /nfs/dbraw/zinc/28/41/10/1018284110.db2.gz JVQSEXLGXHRWBF-VURMDHGXSA-N -1 3 300.358 3.540 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000041332010 1018385480 /nfs/dbraw/zinc/38/54/80/1018385480.db2.gz MZYONRAXJJPORW-UHFFFAOYSA-N -1 3 305.334 3.628 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(CC(F)(F)F)C2)c([O-])c1 ZINC000675416023 1018433594 /nfs/dbraw/zinc/43/35/94/1018433594.db2.gz WHINDLRKGRRFOM-UHFFFAOYSA-N -1 3 301.308 3.540 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2c(C)cc(OC)c(C)c2C)c1 ZINC000583432242 1018458018 /nfs/dbraw/zinc/45/80/18/1018458018.db2.gz KINKWHXSSNWGLL-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)nc1 ZINC001212557924 1018461868 /nfs/dbraw/zinc/46/18/68/1018461868.db2.gz IHBZQEHYKBZBEG-UHFFFAOYSA-N -1 3 313.700 3.904 20 0 DHADHM Cc1ccc(C(F)(F)F)c(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558018 1018462495 /nfs/dbraw/zinc/46/24/95/1018462495.db2.gz NHEWVBQJLBSIRR-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(F)(c3ccccc3)CC2)n1 ZINC000447876813 1018492664 /nfs/dbraw/zinc/49/26/64/1018492664.db2.gz FSHFJMYZAGOPGF-CQSZACIVSA-N -1 3 315.392 3.512 20 0 DHADHM Cc1cccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c1C ZINC000115491869 1018565460 /nfs/dbraw/zinc/56/54/60/1018565460.db2.gz XVGXZZIFNTWABW-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000627301812 1018830033 /nfs/dbraw/zinc/83/00/33/1018830033.db2.gz OWOJIEYANUVZOQ-HNNXBMFYSA-N -1 3 301.411 3.985 20 0 DHADHM CCC[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132801620 1018844575 /nfs/dbraw/zinc/84/45/75/1018844575.db2.gz CUOBFHYKNBBMKU-HNNXBMFYSA-N -1 3 301.361 3.731 20 0 DHADHM COc1cccc(CCNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471746967 1018928321 /nfs/dbraw/zinc/92/83/21/1018928321.db2.gz ULKXSBDNLOWIRT-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000102320567 1018952210 /nfs/dbraw/zinc/95/22/10/1018952210.db2.gz DYSLBCNUIKKPFZ-UHFFFAOYSA-N -1 3 319.426 3.641 20 0 DHADHM O=C([O-])CN(Cc1cc(-c2ccccc2)cs1)CC1CC1 ZINC000650797346 1018970997 /nfs/dbraw/zinc/97/09/97/1018970997.db2.gz SNZZGVHPZBLDKJ-UHFFFAOYSA-N -1 3 301.411 3.712 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000024249451 1018996611 /nfs/dbraw/zinc/99/66/11/1018996611.db2.gz AGJHCRQXHYIJDI-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM Cn1c(C(=O)Nc2cc(Cl)ccc2[O-])cc2ccccc21 ZINC000111210999 1019006087 /nfs/dbraw/zinc/00/60/87/1019006087.db2.gz UQRAJCMQJBMIAW-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)c1 ZINC000007405563 1019028597 /nfs/dbraw/zinc/02/85/97/1019028597.db2.gz WXXTZHSVLWSGFP-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000671654686 1019111304 /nfs/dbraw/zinc/11/13/04/1019111304.db2.gz NMNWXFDYCWSARG-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000356180778 1019178074 /nfs/dbraw/zinc/17/80/74/1019178074.db2.gz ZHZUJHNHFMAWHC-NSHDSACASA-N -1 3 305.324 3.663 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCc2occc2C1 ZINC000356534086 1019230702 /nfs/dbraw/zinc/23/07/02/1019230702.db2.gz LMQPSBNMSMKUSH-UHFFFAOYSA-N -1 3 307.349 3.727 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000041493705 1019273198 /nfs/dbraw/zinc/27/31/98/1019273198.db2.gz QYTIQYPUFPUGBK-CQSZACIVSA-N -1 3 303.321 3.535 20 0 DHADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cc([O-])c2ccccc2c1 ZINC000356832561 1019283190 /nfs/dbraw/zinc/28/31/90/1019283190.db2.gz RTHLDINERRCGKH-UHFFFAOYSA-N -1 3 320.304 3.645 20 0 DHADHM CN(C(=O)c1cc([O-])c2ccccc2c1)c1ccc2c(c1)OCO2 ZINC000472435526 1019407405 /nfs/dbraw/zinc/40/74/05/1019407405.db2.gz SPXCJCYYQTZUKP-UHFFFAOYSA-N -1 3 321.332 3.551 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1Cc1cccc(F)c1 ZINC001212479846 1019411179 /nfs/dbraw/zinc/41/11/79/1019411179.db2.gz VGUQACDJNODILF-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM O=C(Nc1cccc(CCCO)c1)c1cc([O-])c2ccccc2c1 ZINC000472498395 1019418569 /nfs/dbraw/zinc/41/85/69/1019418569.db2.gz KJFVNLQLCDEDGS-UHFFFAOYSA-N -1 3 321.376 3.723 20 0 DHADHM CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@H]1CCCOC1 ZINC000922133580 1019497827 /nfs/dbraw/zinc/49/78/27/1019497827.db2.gz KMZHBXJNIFMMOI-FZMZJTMJSA-N -1 3 319.426 3.542 20 0 DHADHM Cc1csc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000765764725 1019541184 /nfs/dbraw/zinc/54/11/84/1019541184.db2.gz HJBIYUAIKYZNTQ-SECBINFHSA-N -1 3 314.332 3.560 20 0 DHADHM Cc1ccc(-c2nsc([N-]C(=O)c3scnc3C)n2)s1 ZINC000066412949 1019543595 /nfs/dbraw/zinc/54/35/95/1019543595.db2.gz VBHHZEODZVPAKD-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000092759298 1019543936 /nfs/dbraw/zinc/54/39/36/1019543936.db2.gz QDHOWNCGDZGONS-QGZVFWFLSA-N -1 3 310.397 3.635 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(F)cc1 ZINC000094031493 1019596796 /nfs/dbraw/zinc/59/67/96/1019596796.db2.gz MCDPIWPVHHNNLG-UHFFFAOYSA-N -1 3 315.344 3.521 20 0 DHADHM CCCCOc1ccc(C(=O)N(CC)Cc2ccoc2)c([O-])c1 ZINC000682806276 1019688539 /nfs/dbraw/zinc/68/85/39/1019688539.db2.gz XHXVIPZVLJNUPQ-UHFFFAOYSA-N -1 3 317.385 3.826 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)S1 ZINC000525935345 1019727421 /nfs/dbraw/zinc/72/74/21/1019727421.db2.gz KVOMAUKOIHNAOG-RYUDHWBXSA-N -1 3 301.411 3.511 20 0 DHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ncccc2[O-])C1 ZINC000347581215 1019727899 /nfs/dbraw/zinc/72/78/99/1019727899.db2.gz DTIGHTJSVRNYCN-HUUCEWRRSA-N -1 3 320.433 3.881 20 0 DHADHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526927622 1019738710 /nfs/dbraw/zinc/73/87/10/1019738710.db2.gz GJUQSFADOBASHX-VQIMIIECSA-N -1 3 317.388 3.906 20 0 DHADHM O=C(NC1(c2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000527450290 1019752193 /nfs/dbraw/zinc/75/21/93/1019752193.db2.gz RIVJROWNFVRKHY-UHFFFAOYSA-N -1 3 303.361 3.965 20 0 DHADHM [O-]c1cccnc1CN1Cc2ccccc2-c2ccccc2C1 ZINC000685414755 1019804472 /nfs/dbraw/zinc/80/44/72/1019804472.db2.gz BUJWXYZUGFGOAY-UHFFFAOYSA-N -1 3 302.377 3.970 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000063569116 1019809550 /nfs/dbraw/zinc/80/95/50/1019809550.db2.gz GSOONIZMHRPKMY-UHFFFAOYSA-N -1 3 324.475 3.644 20 0 DHADHM C/C=C\COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768351 1020143644 /nfs/dbraw/zinc/14/36/44/1020143644.db2.gz KGEJNQCSURCQGA-IHWYPQMZSA-N -1 3 321.174 3.572 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cs1 ZINC000671785081 1020165890 /nfs/dbraw/zinc/16/58/90/1020165890.db2.gz YEFJCLFNSZHBEZ-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC(C)Oc1ccc([N-]C(=O)c2ocnc2C(F)F)c(F)c1 ZINC000624944081 1020193930 /nfs/dbraw/zinc/19/39/30/1020193930.db2.gz WKVCUGDPQAXXNZ-UHFFFAOYSA-N -1 3 314.263 3.791 20 0 DHADHM O=C([N-][C@@H]1CCc2ccc(F)cc21)C(F)(F)c1ccccc1F ZINC000765785886 1020195787 /nfs/dbraw/zinc/19/57/87/1020195787.db2.gz WAHHDPJQONEWTD-OAHLLOKOSA-N -1 3 323.289 3.860 20 0 DHADHM CCC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000732258296 1020218128 /nfs/dbraw/zinc/21/81/28/1020218128.db2.gz QRXOGLDTPBEJFU-OAHLLOKOSA-N -1 3 321.380 3.607 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624516654 1020223472 /nfs/dbraw/zinc/22/34/72/1020223472.db2.gz HUSOVPDNWSDGQT-UHFFFAOYSA-N -1 3 301.318 3.619 20 0 DHADHM C[C@H]1Cc2cc(CNCc3cccc([O-])c3Cl)ccc2O1 ZINC000922702118 1020226996 /nfs/dbraw/zinc/22/69/96/1020226996.db2.gz UMHQALCZUYTUNX-NSHDSACASA-N -1 3 303.789 3.659 20 0 DHADHM O=C(OCCCOc1cccc2ccccc21)c1cncc([O-])c1 ZINC000732394306 1020234338 /nfs/dbraw/zinc/23/43/38/1020234338.db2.gz KNZOJTXQCPGTNL-UHFFFAOYSA-N -1 3 323.348 3.566 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1=NO[C@H](c2ccccc2)C1 ZINC000055340337 1020321676 /nfs/dbraw/zinc/32/16/76/1020321676.db2.gz DQGWHEOFQNZHIL-HNNXBMFYSA-N -1 3 316.744 3.502 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1cccc(C(F)F)c1 ZINC000780383865 1020392986 /nfs/dbraw/zinc/39/29/86/1020392986.db2.gz MSOWICZHXTUTHS-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(=O)c2ccccc2[n-]1 ZINC000673721265 1020459437 /nfs/dbraw/zinc/45/94/37/1020459437.db2.gz HPBFHNGEPNNOAT-RRFJBIMHSA-N -1 3 324.424 3.617 20 0 DHADHM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000055887487 1020465579 /nfs/dbraw/zinc/46/55/79/1020465579.db2.gz DJNRAQXKQOXCSZ-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2c(C)cccc2[O-])s1 ZINC000625345613 1020485356 /nfs/dbraw/zinc/48/53/56/1020485356.db2.gz GIJKGAGOOLSNLA-LLVKDONJSA-N -1 3 304.415 3.607 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000348068245 1020492825 /nfs/dbraw/zinc/49/28/25/1020492825.db2.gz AUHFSNFLTHMAGY-HOTGVXAUSA-N -1 3 317.772 3.904 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000612337229 1020508657 /nfs/dbraw/zinc/50/86/57/1020508657.db2.gz OBGFRSUYOVZIDR-UHFFFAOYSA-N -1 3 323.458 3.534 20 0 DHADHM O=C(CC1CC(c2ccccc2)C1)[N-]OCCC(F)(F)F ZINC000282466891 1020554886 /nfs/dbraw/zinc/55/48/86/1020554886.db2.gz UMPJVUVNPFPWJS-UHFFFAOYSA-N -1 3 301.308 3.571 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1occc1-c1ccccc1 ZINC000132990298 1020589770 /nfs/dbraw/zinc/58/97/70/1020589770.db2.gz FQWLRBDJOUXCHZ-UHFFFAOYSA-N -1 3 311.312 3.721 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000570179708 1020649076 /nfs/dbraw/zinc/64/90/76/1020649076.db2.gz UIKVKTLGULKHGB-DAXSKMNVSA-N -1 3 310.275 3.602 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2c(F)c(F)nc(F)c2F)c1F ZINC001214554269 1020818531 /nfs/dbraw/zinc/81/85/31/1020818531.db2.gz OQZPPGOQFFVOCE-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000613400366 1020936498 /nfs/dbraw/zinc/93/64/98/1020936498.db2.gz ZXWORHICNIQXCU-CORIIIEPSA-N -1 3 305.443 3.765 20 0 DHADHM Cc1cccc(NC(=S)NCc2ccc([O-])c(F)c2)c1C ZINC000737461214 1021099440 /nfs/dbraw/zinc/09/94/40/1021099440.db2.gz KRPSDJLEUXLPEW-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM [O-]c1ccc(CNCc2coc(-c3ccccc3)n2)cc1Cl ZINC000742373382 1021114592 /nfs/dbraw/zinc/11/45/92/1021114592.db2.gz AWLUBWFMCXYTND-UHFFFAOYSA-N -1 3 314.772 3.990 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(Br)cc2)n1 ZINC001202325778 1021217218 /nfs/dbraw/zinc/21/72/18/1021217218.db2.gz OGMLFHMVRGHBOX-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000128466564 1021260542 /nfs/dbraw/zinc/26/05/42/1021260542.db2.gz HEAZYBYKFCLFHC-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(F)c1 ZINC000025365994 1021274544 /nfs/dbraw/zinc/27/45/44/1021274544.db2.gz FAGSFEGIYZXZKH-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000091992551 1021315482 /nfs/dbraw/zinc/31/54/82/1021315482.db2.gz HVYSQJUHUDOELU-KRWDZBQOSA-N -1 3 312.413 3.661 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1[O-] ZINC000618186227 1021317288 /nfs/dbraw/zinc/31/72/88/1021317288.db2.gz HEKVWNCLPFOJAF-INIZCTEOSA-N -1 3 315.413 3.637 20 0 DHADHM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538007026 1032969796 /nfs/dbraw/zinc/96/97/96/1032969796.db2.gz POHCIIPFRICIMC-INIZCTEOSA-N -1 3 321.442 3.668 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000128798488 1021352101 /nfs/dbraw/zinc/35/21/01/1021352101.db2.gz LMTAJEAVELRRLM-IUCAKERBSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1cccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000744219057 1021472557 /nfs/dbraw/zinc/47/25/57/1021472557.db2.gz YZMSCYLGTNIBNT-UHFFFAOYSA-N -1 3 320.348 3.685 20 0 DHADHM COc1cccc(SCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000129445736 1021488028 /nfs/dbraw/zinc/48/80/28/1021488028.db2.gz PZZACCQOGMUKSM-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000129552007 1021511614 /nfs/dbraw/zinc/51/16/14/1021511614.db2.gz BNSRHTWTIHLEGY-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM CCCC[C@H](CC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782986829 1021524857 /nfs/dbraw/zinc/52/48/57/1021524857.db2.gz PJHUWPJTCDLFFS-LBPRGKRZSA-N -1 3 318.373 3.702 20 0 DHADHM CCN(C)[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000129649690 1021527226 /nfs/dbraw/zinc/52/72/26/1021527226.db2.gz YOTJRZWZFOVKDO-INIZCTEOSA-N -1 3 318.804 3.677 20 0 DHADHM CN(Cc1occc1[S-])Cc1ccccc1Br ZINC001237179727 1021785323 /nfs/dbraw/zinc/78/53/23/1021785323.db2.gz FNWYDRNSSZYUKB-UHFFFAOYSA-N -1 3 312.232 3.963 20 0 DHADHM COCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077809 1021841414 /nfs/dbraw/zinc/84/14/14/1021841414.db2.gz BVXNYUCWYMJSAO-UHFFFAOYSA-N -1 3 306.745 3.516 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCn2ccc3ccccc32)c1[O-] ZINC000556893724 1021934604 /nfs/dbraw/zinc/93/46/04/1021934604.db2.gz ZILCNIYTWLCKSH-UHFFFAOYSA-N -1 3 322.364 3.578 20 0 DHADHM CC(Cl)(Cl)C(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000183032523 1021935256 /nfs/dbraw/zinc/93/52/56/1021935256.db2.gz HDPSOIKEJZIKIQ-UHFFFAOYSA-N -1 3 318.097 3.655 20 0 DHADHM Cn1cc(CC(=O)Nc2ccc(Cl)cc2[O-])c2ccccc21 ZINC000153448952 1022061120 /nfs/dbraw/zinc/06/11/20/1022061120.db2.gz CZVXFZDLVCCRLF-UHFFFAOYSA-N -1 3 314.772 3.719 20 0 DHADHM CC/C=C(/C)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000920505853 1022132842 /nfs/dbraw/zinc/13/28/42/1022132842.db2.gz FTLXFGRABIWHDG-GQYWMQPJSA-N -1 3 320.414 3.974 20 0 DHADHM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001267743754 1022183461 /nfs/dbraw/zinc/18/34/61/1022183461.db2.gz VRXFSKQKSHGJSO-BXKDBHETSA-N -1 3 303.299 3.717 20 0 DHADHM Cc1cccn2cc(CNc3ccc4c(c3)[N-]C(=S)C4)nc12 ZINC001169023081 1022227356 /nfs/dbraw/zinc/22/73/56/1022227356.db2.gz YMJALSPZRMBCCP-UHFFFAOYSA-N -1 3 308.410 3.550 20 0 DHADHM COc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC000153651766 1022235166 /nfs/dbraw/zinc/23/51/66/1022235166.db2.gz PVFBKOUUPBFQHN-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153692722 1022243138 /nfs/dbraw/zinc/24/31/38/1022243138.db2.gz AYVURQJFWGOVRS-UHFFFAOYSA-N -1 3 317.772 3.956 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCCC1SCCS1 ZINC000853666007 1022311889 /nfs/dbraw/zinc/31/18/89/1022311889.db2.gz XWNFJIDUOPMZHG-UHFFFAOYSA-N -1 3 303.493 3.591 20 0 DHADHM c1csc(-c2csc([N-]c3ncnc4ccncc43)n2)c1 ZINC000337517602 1033044979 /nfs/dbraw/zinc/04/49/79/1033044979.db2.gz MUNXHYSRSCADHQ-UHFFFAOYSA-N -1 3 311.395 3.953 20 0 DHADHM [O-]c1cc(Nc2nc(Br)ccc2O)ccc1Cl ZINC001212588415 1022348094 /nfs/dbraw/zinc/34/80/94/1022348094.db2.gz PJJZYEOBTVRBIU-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM CC(C)(C)n1cc(Nc2cccc([O-])c2Br)cn1 ZINC001212573473 1022362868 /nfs/dbraw/zinc/36/28/68/1022362868.db2.gz HNJKGQGWWBWNNR-UHFFFAOYSA-N -1 3 310.195 3.850 20 0 DHADHM C[C@H]1C[C@@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001169376910 1022376135 /nfs/dbraw/zinc/37/61/35/1022376135.db2.gz VCCSDAVLVYUDDN-MGPLVRAMSA-N -1 3 309.348 3.666 20 0 DHADHM C[C@H]1C[C@@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001169376910 1022376153 /nfs/dbraw/zinc/37/61/53/1022376153.db2.gz VCCSDAVLVYUDDN-MGPLVRAMSA-N -1 3 309.348 3.666 20 0 DHADHM Cc1ccc(CNc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC001169418311 1022396999 /nfs/dbraw/zinc/39/69/99/1022396999.db2.gz PQOBJPHMPHUKJA-UHFFFAOYSA-N -1 3 315.380 3.940 20 0 DHADHM Cc1ccc(CNc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC001169418311 1022397011 /nfs/dbraw/zinc/39/70/11/1022397011.db2.gz PQOBJPHMPHUKJA-UHFFFAOYSA-N -1 3 315.380 3.940 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(Cc2ccccn2)n1 ZINC001212590258 1022408698 /nfs/dbraw/zinc/40/86/98/1022408698.db2.gz CXFJHNIBCYMDRC-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM Cc1ncc(Nc2ccc(Cl)c([O-])c2)nc1Br ZINC001212590328 1022410017 /nfs/dbraw/zinc/41/00/17/1022410017.db2.gz HFRLBKFLVQRAEQ-UHFFFAOYSA-N -1 3 314.570 3.650 20 0 DHADHM COc1cccc(-n2nccc2Nc2ccc(Cl)c([O-])c2)c1 ZINC001212590457 1022420340 /nfs/dbraw/zinc/42/03/40/1022420340.db2.gz NLKGZSYSGRJLIX-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM [O-]c1cc(Nc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC001212591219 1022449810 /nfs/dbraw/zinc/44/98/10/1022449810.db2.gz ATGHHEIJRZMNHE-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM CC(=O)N1CCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212591364 1022452383 /nfs/dbraw/zinc/45/23/83/1022452383.db2.gz INTKRQAIILYLEQ-UHFFFAOYSA-N -1 3 302.761 3.698 20 0 DHADHM COC(=O)c1c(F)cc(F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593263 1022485547 /nfs/dbraw/zinc/48/55/47/1022485547.db2.gz IDMSGZCMTXYUNL-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)c(F)cc1F ZINC001212593305 1022486667 /nfs/dbraw/zinc/48/66/67/1022486667.db2.gz KPJWZGIWBAKASP-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM [O-]c1cc(Nc2ccccc2N2CCC(O)CC2)ccc1Cl ZINC001212592504 1022490516 /nfs/dbraw/zinc/49/05/16/1022490516.db2.gz TWXLMIIEAJKTFG-UHFFFAOYSA-N -1 3 318.804 3.750 20 0 DHADHM COC(=O)c1cccc(OC)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593595 1022500094 /nfs/dbraw/zinc/50/00/94/1022500094.db2.gz ZHVVNCBYKHLQMH-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cccnc1CNc1ncnc2scc(-c3ccco3)c21 ZINC001169733034 1022528061 /nfs/dbraw/zinc/52/80/61/1022528061.db2.gz MJFDTJKGRFDVNN-UHFFFAOYSA-N -1 3 324.365 3.664 20 0 DHADHM O=C([N-]c1cscc1Br)c1cc(C2CC2)no1 ZINC000615736332 1022548952 /nfs/dbraw/zinc/54/89/52/1022548952.db2.gz UBCCJBZGPCSEEG-UHFFFAOYSA-N -1 3 313.176 3.628 20 0 DHADHM CCOC(=O)Cc1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212595420 1022549102 /nfs/dbraw/zinc/54/91/02/1022549102.db2.gz SLZLEFGUGOUBTM-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CC1(C)C(=O)NCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212595354 1022549694 /nfs/dbraw/zinc/54/96/94/1022549694.db2.gz PKXCMRMRAYRRIW-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM CN1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2N(C)C1=O ZINC001212595445 1022550068 /nfs/dbraw/zinc/55/00/68/1022550068.db2.gz UQEVPSTZHZHSHI-UHFFFAOYSA-N -1 3 317.776 3.791 20 0 DHADHM CN1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2NC1=O ZINC001212595529 1022561067 /nfs/dbraw/zinc/56/10/67/1022561067.db2.gz YANMAZAKJMGJRP-UHFFFAOYSA-N -1 3 303.749 3.767 20 0 DHADHM COc1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC000179861531 1022564688 /nfs/dbraw/zinc/56/46/88/1022564688.db2.gz UGLXQUARNFVLOW-UHFFFAOYSA-N -1 3 303.789 3.613 20 0 DHADHM Cc1noc(C2CC2)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000855190594 1022592579 /nfs/dbraw/zinc/59/25/79/1022592579.db2.gz ZVGHPRHTGNDXBM-UHFFFAOYSA-N -1 3 320.418 3.553 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c([O-])c1 ZINC000621173150 1022602791 /nfs/dbraw/zinc/60/27/91/1022602791.db2.gz ZDPZHCSMUYWAKF-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c1[O-] ZINC000621171116 1022613624 /nfs/dbraw/zinc/61/36/24/1022613624.db2.gz JJMBFGXCUINQMM-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM Cc1c([O-])ccc2c(CNc3ccc4[nH]ccc4c3)cc(=O)oc12 ZINC000113306881 1022627109 /nfs/dbraw/zinc/62/71/09/1022627109.db2.gz DMNKBHPUXAHHFM-UHFFFAOYSA-N -1 3 320.348 3.900 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000616138624 1022645609 /nfs/dbraw/zinc/64/56/09/1022645609.db2.gz JCOYYALKRCRKLD-SJECXTJVSA-N -1 3 317.454 3.622 20 0 DHADHM CNc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 ZINC001237730753 1022678363 /nfs/dbraw/zinc/67/83/63/1022678363.db2.gz AAIQCIOLWLGCOG-UHFFFAOYSA-N -1 3 324.833 3.799 20 0 DHADHM COCCN(Cc1ccc(C)o1)Cc1cccc(Cl)c1[O-] ZINC000180498428 1022744638 /nfs/dbraw/zinc/74/46/38/1022744638.db2.gz YPYQYMMLHMXFGZ-UHFFFAOYSA-N -1 3 309.793 3.596 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OCCc1ccccc1 ZINC000767932960 1022845924 /nfs/dbraw/zinc/84/59/24/1022845924.db2.gz FXQKYBDAVWYPNO-UHFFFAOYSA-N -1 3 305.377 3.673 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000621938535 1022944631 /nfs/dbraw/zinc/94/46/31/1022944631.db2.gz DZBYHURKWFUFDV-VHSXEESVSA-N -1 3 301.308 3.529 20 0 DHADHM O=c1cc(Nc2ccc(CNc3ccccc3)cc2)[nH]c(=S)[n-]1 ZINC001212299871 1022954296 /nfs/dbraw/zinc/95/42/96/1022954296.db2.gz JGVYEJSYCSDNAQ-UHFFFAOYSA-N -1 3 324.409 3.827 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CC1CC1)C1CCC1 ZINC000621988724 1022983103 /nfs/dbraw/zinc/98/31/03/1022983103.db2.gz KVTNHEGGZVLFLF-UHFFFAOYSA-N -1 3 313.319 3.816 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000622273495 1023092030 /nfs/dbraw/zinc/09/20/30/1023092030.db2.gz QSDZNUDPYMCRFU-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000007387669 1023403603 /nfs/dbraw/zinc/40/36/03/1023403603.db2.gz IPLPJOTXMKXZDC-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccsc2)C(C)(C)C)n1 ZINC000661136448 1023497418 /nfs/dbraw/zinc/49/74/18/1023497418.db2.gz RPQMCOJOHDGJAS-UHFFFAOYSA-N -1 3 305.447 3.607 20 0 DHADHM Cc1ncc(-c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)o1 ZINC000044844566 1023521738 /nfs/dbraw/zinc/52/17/38/1023521738.db2.gz RLMGBTZFGCOIKW-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]OCC(F)(F)F)(C2)C3 ZINC000772167304 1023527040 /nfs/dbraw/zinc/52/70/40/1023527040.db2.gz KDKXSKZKSQSAHZ-UHFFFAOYSA-N -1 3 319.367 3.983 20 0 DHADHM NC(=O)c1ccc(Nc2ccc(C3CC3)cc2Cl)cc1[O-] ZINC001213859922 1023580350 /nfs/dbraw/zinc/58/03/50/1023580350.db2.gz PIDOJOOUASPCCO-UHFFFAOYSA-N -1 3 302.761 3.766 20 0 DHADHM O=C(OCCCOCCc1ccccc1)c1cc2occc2[n-]1 ZINC000786031288 1023654507 /nfs/dbraw/zinc/65/45/07/1023654507.db2.gz KWJSIIGZAZOMCE-UHFFFAOYSA-N -1 3 313.353 3.567 20 0 DHADHM Cc1ncc(COC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786131726 1023665524 /nfs/dbraw/zinc/66/55/24/1023665524.db2.gz PRBSLOOYMYKPKX-UHFFFAOYSA-N -1 3 305.380 3.729 20 0 DHADHM C[C@H](COC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC000786136421 1023666893 /nfs/dbraw/zinc/66/68/93/1023666893.db2.gz HJZWXDVQSZJJCM-SSDOTTSWSA-N -1 3 304.289 3.962 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)c(Cl)c2)cc1 ZINC000786744122 1023720075 /nfs/dbraw/zinc/72/00/75/1023720075.db2.gz OHSPDKIXOZACEX-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1F ZINC000787276383 1023783254 /nfs/dbraw/zinc/78/32/54/1023783254.db2.gz UBTUPTZMOVPDOM-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM Cc1cnc2n1CC[C@@H]2OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000893529509 1023794935 /nfs/dbraw/zinc/79/49/35/1023794935.db2.gz QHXSZCBEDAKNQA-JTQLQIEISA-N -1 3 321.789 3.690 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000538760611 1033163370 /nfs/dbraw/zinc/16/33/70/1033163370.db2.gz AAXNTIWSALPTQO-HNNXBMFYSA-N -1 3 301.411 3.993 20 0 DHADHM CC(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000028055773 1023858381 /nfs/dbraw/zinc/85/83/81/1023858381.db2.gz QKEWDRJWEZJOEQ-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cc(F)cc(F)c1 ZINC000787846561 1023826926 /nfs/dbraw/zinc/82/69/26/1023826926.db2.gz VLUNJHUISACRDC-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM CCc1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1[O-] ZINC000538749779 1033168157 /nfs/dbraw/zinc/16/81/57/1033168157.db2.gz GGBNOWNRHCGSSK-LLVKDONJSA-N -1 3 301.411 3.776 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)[N-]c1nnc(C(C)(C)C)o1 ZINC000882191406 1023996530 /nfs/dbraw/zinc/99/65/30/1023996530.db2.gz GRGBBVSXPJAFND-NSHDSACASA-N -1 3 313.405 3.910 20 0 DHADHM COc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000254703305 1024012080 /nfs/dbraw/zinc/01/20/80/1024012080.db2.gz TTYQJLGIMRFFOA-UHFFFAOYSA-N -1 3 306.159 3.914 20 0 DHADHM C/C=C(\CC)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000789226000 1024031199 /nfs/dbraw/zinc/03/11/99/1024031199.db2.gz FKAALVYICTZOQO-CAXXOGMASA-N -1 3 320.414 3.974 20 0 DHADHM C/C=C(/CC)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000789226022 1024031975 /nfs/dbraw/zinc/03/19/75/1024031975.db2.gz FKAALVYICTZOQO-NJQKBMNKSA-N -1 3 320.414 3.974 20 0 DHADHM COc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1F ZINC000190723988 1024090512 /nfs/dbraw/zinc/09/05/12/1024090512.db2.gz APJJBCOZJTURHW-UHFFFAOYSA-N -1 3 313.731 3.622 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)C(C)C ZINC000452756577 1024184193 /nfs/dbraw/zinc/18/41/93/1024184193.db2.gz PEIFVKDFAHZGJV-MRVPVSSYSA-N -1 3 300.196 3.694 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1oc2ccc(F)cc2c1C ZINC000270415993 1024386502 /nfs/dbraw/zinc/38/65/02/1024386502.db2.gz MQDINBSOSVPXEU-UHFFFAOYSA-N -1 3 302.305 3.991 20 0 DHADHM CCSCC[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000791375803 1024478101 /nfs/dbraw/zinc/47/81/01/1024478101.db2.gz ROWLVTKVHZJTBV-SNVBAGLBSA-N -1 3 309.456 3.868 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c([O-])c1 ZINC000271268471 1024480396 /nfs/dbraw/zinc/48/03/96/1024480396.db2.gz LWQNOAGAOYYCRD-HNNXBMFYSA-N -1 3 313.401 3.606 20 0 DHADHM CCCC(O)(CCC)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000791367651 1024483830 /nfs/dbraw/zinc/48/38/30/1024483830.db2.gz SIPPSCQLQZEDNI-UHFFFAOYSA-N -1 3 321.442 3.668 20 0 DHADHM CC1(NC(=O)c2cc3sccc3c([O-])c2)Cc2ccccc2C1 ZINC000791393434 1024487535 /nfs/dbraw/zinc/48/75/35/1024487535.db2.gz QRGWATKWTTYHOK-UHFFFAOYSA-N -1 3 323.417 3.894 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000348793066 1024615493 /nfs/dbraw/zinc/61/54/93/1024615493.db2.gz FCENHWHNMLZYSN-NXEZZACHSA-N -1 3 323.179 3.836 20 0 DHADHM O=C(OCc1nc2ccccc2[nH]1)c1cc2sccc2c([O-])c1 ZINC000792203321 1024648161 /nfs/dbraw/zinc/64/81/61/1024648161.db2.gz WJKVEAVOHDTXIW-UHFFFAOYSA-N -1 3 324.361 3.840 20 0 DHADHM CS[C@H]1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792198354 1024649048 /nfs/dbraw/zinc/64/90/48/1024649048.db2.gz LZSZTCCZDSEBIK-KBPBESRZSA-N -1 3 301.411 3.559 20 0 DHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1C(C)(C)C ZINC000109091761 1024650714 /nfs/dbraw/zinc/65/07/14/1024650714.db2.gz QEXNMVBCCXADJT-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM C[C@H]1Cc2cnccc2N1C(=O)c1cc2sccc2c([O-])c1 ZINC001170257439 1024717065 /nfs/dbraw/zinc/71/70/65/1024717065.db2.gz BBBRMRPBUXHSKA-JTQLQIEISA-N -1 3 310.378 3.593 20 0 DHADHM Cc1cccc(CC(=O)[N-]OCc2ccc(F)cc2)c1Cl ZINC000792608644 1024733047 /nfs/dbraw/zinc/73/30/47/1024733047.db2.gz PXZOZCXBTJDBBF-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM CC[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1F ZINC000800206724 1024739767 /nfs/dbraw/zinc/73/97/67/1024739767.db2.gz HKMICZQIINPYFA-AWEZNQCLSA-N -1 3 317.295 3.544 20 0 DHADHM CC[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1F ZINC000800206724 1024739776 /nfs/dbraw/zinc/73/97/76/1024739776.db2.gz HKMICZQIINPYFA-AWEZNQCLSA-N -1 3 317.295 3.544 20 0 DHADHM CC[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1F ZINC000800206724 1024739786 /nfs/dbraw/zinc/73/97/86/1024739786.db2.gz HKMICZQIINPYFA-AWEZNQCLSA-N -1 3 317.295 3.544 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c(C)o1 ZINC000350515955 1024823822 /nfs/dbraw/zinc/82/38/22/1024823822.db2.gz PESUCHUEEKHOFU-UHFFFAOYSA-N -1 3 317.769 3.798 20 0 DHADHM Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2o1 ZINC000350702623 1024840743 /nfs/dbraw/zinc/84/07/43/1024840743.db2.gz QULCUNOCJNLCQB-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM O=C([O-])[C@@H]1CCCCN1Cc1cc(-c2ccccc2)cs1 ZINC000263386616 1024957350 /nfs/dbraw/zinc/95/73/50/1024957350.db2.gz DBVPNOHEYZAXEN-INIZCTEOSA-N -1 3 301.411 3.854 20 0 DHADHM Cc1cccc2c1OCC[C@@H]2NCc1c(F)ccc([O-])c1F ZINC000353152860 1024970939 /nfs/dbraw/zinc/97/09/39/1024970939.db2.gz JGFWLCVIFHALQJ-AWEZNQCLSA-N -1 3 305.324 3.592 20 0 DHADHM COc1ccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)c(C)c1 ZINC001202714244 1024990448 /nfs/dbraw/zinc/99/04/48/1024990448.db2.gz XYUPEDJBNYUOMB-UHFFFAOYSA-N -1 3 315.251 3.654 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CC[C@@H](c3ccccc3)O2)c1F ZINC000353548887 1025125764 /nfs/dbraw/zinc/12/57/64/1025125764.db2.gz HYMBZKYWECJAOW-GUYCJALGSA-N -1 3 319.351 3.680 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(C2CC2)cnc1Cl ZINC000793737255 1025157913 /nfs/dbraw/zinc/15/79/13/1025157913.db2.gz XSWSHDPHCJHBKR-UHFFFAOYSA-N -1 3 306.724 3.709 20 0 DHADHM CC(F)(F)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747158004 1025194434 /nfs/dbraw/zinc/19/44/34/1025194434.db2.gz JEARERKJXDQNFZ-UHFFFAOYSA-N -1 3 311.250 3.689 20 0 DHADHM CC(C)CO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000135327328 1025213728 /nfs/dbraw/zinc/21/37/28/1025213728.db2.gz QYVMVUBMXQEDGL-NSHDSACASA-N -1 3 314.223 3.647 20 0 DHADHM O=C([N-][C@H]1CCCc2cccnc21)C(F)(F)c1ccccc1F ZINC000885389668 1025317192 /nfs/dbraw/zinc/31/71/92/1025317192.db2.gz RNZMOUSWSCXCNY-AWEZNQCLSA-N -1 3 320.314 3.506 20 0 DHADHM O=C([N-][C@H]1CCCc2cccnc21)C(F)(F)c1ccc(F)cc1 ZINC000885393798 1025319586 /nfs/dbraw/zinc/31/95/86/1025319586.db2.gz UVMNNMVAJBWHAU-AWEZNQCLSA-N -1 3 320.314 3.506 20 0 DHADHM CCCc1nc(C)c(COC(=O)c2cccc(Cl)c2[O-])o1 ZINC001129575151 1025337958 /nfs/dbraw/zinc/33/79/58/1025337958.db2.gz RDGBPIXQDBDFFN-UHFFFAOYSA-N -1 3 309.749 3.652 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H]3CCc4ccccc4C3)no2)c1 ZINC000325810261 1025416185 /nfs/dbraw/zinc/41/61/85/1025416185.db2.gz YSQWYHJYYSNUJK-AWEZNQCLSA-N -1 3 322.364 3.723 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(OC3CCCC3)CC2)c1 ZINC000354388332 1025420342 /nfs/dbraw/zinc/42/03/42/1025420342.db2.gz MSXOAZQJOQVFIZ-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM O=C([N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(F)(F)C(F)F ZINC001129852168 1025437878 /nfs/dbraw/zinc/43/78/78/1025437878.db2.gz DWPLOVQAUHPVMB-MWLCHTKSSA-N -1 3 323.717 3.993 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043751397 1025484751 /nfs/dbraw/zinc/48/47/51/1025484751.db2.gz SEROLPPVPUCEAN-UHFFFAOYSA-N -1 3 304.316 3.513 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043751397 1025484756 /nfs/dbraw/zinc/48/47/56/1025484756.db2.gz SEROLPPVPUCEAN-UHFFFAOYSA-N -1 3 304.316 3.513 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCSC[C@@H]1c1ccccc1 ZINC000893749165 1025541993 /nfs/dbraw/zinc/54/19/93/1025541993.db2.gz IIWGGIWHFAMYGZ-MRXNPFEDSA-N -1 3 313.422 3.713 20 0 DHADHM O=C(NCCc1ccco1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110226354 1025648570 /nfs/dbraw/zinc/64/85/70/1025648570.db2.gz HSUWVSYPBVNDEK-UHFFFAOYSA-N -1 3 321.376 3.549 20 0 DHADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1ccco1 ZINC000049419468 1025711594 /nfs/dbraw/zinc/71/15/94/1025711594.db2.gz DDJMIKGXDOTYQD-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000075200131 1025834885 /nfs/dbraw/zinc/83/48/85/1025834885.db2.gz OXCIMTYFQPEGJQ-CQSZACIVSA-N -1 3 313.422 3.647 20 0 DHADHM CSc1cc(Cl)ccc1[N-]C(=O)c1ccnc(F)c1F ZINC001130851826 1026030413 /nfs/dbraw/zinc/03/04/13/1026030413.db2.gz UCYGWXROKSKIEK-UHFFFAOYSA-N -1 3 314.744 3.987 20 0 DHADHM O=C([N-]c1cc(F)ccn1)c1cc(-c2cccc(Cl)c2)no1 ZINC001130872825 1026033538 /nfs/dbraw/zinc/03/35/38/1026033538.db2.gz LNVHDRCYONWVHA-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM COc1ccc(C(=O)N[C@H](c2cccc(C)c2)C(C)C)c([O-])c1 ZINC001170533905 1026120732 /nfs/dbraw/zinc/12/07/32/1026120732.db2.gz DIWZOAIRBAJASL-SFHVURJKSA-N -1 3 313.397 3.836 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1csc([C@H]2CCCO2)n1 ZINC000121653529 1026148033 /nfs/dbraw/zinc/14/80/33/1026148033.db2.gz XKUFDFVJDNTXPS-LLVKDONJSA-N -1 3 310.325 3.525 20 0 DHADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000122168803 1026177782 /nfs/dbraw/zinc/17/77/82/1026177782.db2.gz FHKVDTPNBYQUIJ-QMMMGPOBSA-N -1 3 307.781 3.518 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCSC(C)(C)C)c1[O-] ZINC000808189706 1026222428 /nfs/dbraw/zinc/22/24/28/1026222428.db2.gz YAPNJDGIJCLWCY-UHFFFAOYSA-N -1 3 309.431 3.845 20 0 DHADHM Cc1ccccc1C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000357049769 1026293929 /nfs/dbraw/zinc/29/39/29/1026293929.db2.gz GSRMPQXLCWGMPX-UHFFFAOYSA-N -1 3 320.392 3.502 20 0 DHADHM CC(F)(F)C(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000808463012 1026298627 /nfs/dbraw/zinc/29/86/27/1026298627.db2.gz NEANBGVCUCGLIG-UHFFFAOYSA-N -1 3 307.262 3.856 20 0 DHADHM O=c1cc(CSCCOc2ccccc2F)nc(C2CC2)[n-]1 ZINC000419389404 1026343191 /nfs/dbraw/zinc/34/31/91/1026343191.db2.gz HHRMEAWXDGKAMS-UHFFFAOYSA-N -1 3 320.389 3.511 20 0 DHADHM O=C([N-]c1cccc2nsnc21)c1ocnc1-c1ccccc1 ZINC001131787309 1026562124 /nfs/dbraw/zinc/56/21/24/1026562124.db2.gz HPMBYXDHDOLINL-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM O=c1cc(CSCCCCC2CCOCC2)nc(C2CC2)[n-]1 ZINC000419473720 1026719522 /nfs/dbraw/zinc/71/95/22/1026719522.db2.gz LUSCNQNDSQZXMX-UHFFFAOYSA-N -1 3 322.474 3.890 20 0 DHADHM CC(C)(C)OCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810640581 1026815632 /nfs/dbraw/zinc/81/56/32/1026815632.db2.gz BNLGIYFADZAOIV-UHFFFAOYSA-N -1 3 301.795 3.855 20 0 DHADHM CC[C@H](CS(=O)(=O)[N-]c1ccccc1-c1ccccc1)OC ZINC000421138902 1026938799 /nfs/dbraw/zinc/93/87/99/1026938799.db2.gz JCEOYDKHCKTTGC-OAHLLOKOSA-N -1 3 319.426 3.520 20 0 DHADHM O=C1Oc2ccccc2/C1=C/c1cc([O-])cc(C(F)(F)F)c1 ZINC000811689104 1027066889 /nfs/dbraw/zinc/06/68/89/1027066889.db2.gz WIJVBJHHCIYSGO-QPEQYQDCSA-N -1 3 306.239 3.871 20 0 DHADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000811691100 1027068013 /nfs/dbraw/zinc/06/80/13/1027068013.db2.gz JLAXBDSNGDHOEE-MVQNEBOGSA-N -1 3 304.296 3.900 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1CC=CCC1 ZINC000362244956 1027110998 /nfs/dbraw/zinc/11/09/98/1027110998.db2.gz OWSBLCJADWRQIL-NSHDSACASA-N -1 3 308.341 3.513 20 0 DHADHM CC(C)CC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000362381307 1027171356 /nfs/dbraw/zinc/17/13/56/1027171356.db2.gz WVOKQEPRFALRCK-UHFFFAOYSA-N -1 3 308.397 3.547 20 0 DHADHM CN(Cc1cccc([O-])c1Cl)[C@H](CCO)c1ccccc1 ZINC000295446544 1027281742 /nfs/dbraw/zinc/28/17/42/1027281742.db2.gz UVQICQNWUAFFHV-OAHLLOKOSA-N -1 3 305.805 3.601 20 0 DHADHM CCC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000812479931 1027309236 /nfs/dbraw/zinc/30/92/36/1027309236.db2.gz YSZFYDYZXGVAST-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM CCn1cc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)nn1 ZINC000932000622 1027335666 /nfs/dbraw/zinc/33/56/66/1027335666.db2.gz GNDYPVLYIRJDGB-UHFFFAOYSA-N -1 3 324.837 3.704 20 0 DHADHM CCn1nc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000562288581 1027347947 /nfs/dbraw/zinc/34/79/47/1027347947.db2.gz OLQQJXCLLXSKGP-KTKRTIGZSA-N -1 3 306.369 3.600 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OC1CCC1 ZINC000812791230 1027408552 /nfs/dbraw/zinc/40/85/52/1027408552.db2.gz LCLRZICRGGHMJZ-UHFFFAOYSA-N -1 3 303.333 3.619 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000075472758 1027497307 /nfs/dbraw/zinc/49/73/07/1027497307.db2.gz JLODAWKYZWRROS-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM [O-]c1cccnc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000575955631 1027535515 /nfs/dbraw/zinc/53/55/15/1027535515.db2.gz RXHYODTVDVAPRR-UHFFFAOYSA-N -1 3 308.303 3.585 20 0 DHADHM CCC1(CC)CCC(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000576000941 1027542565 /nfs/dbraw/zinc/54/25/65/1027542565.db2.gz PICLAVNXEKLJSY-UHFFFAOYSA-N -1 3 317.433 3.538 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC=CCC1 ZINC000296217696 1027576583 /nfs/dbraw/zinc/57/65/83/1027576583.db2.gz WEDXDIGNHBXUJH-JTQLQIEISA-N -1 3 310.191 3.758 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1Cl)C2 ZINC000296333431 1027608798 /nfs/dbraw/zinc/60/87/98/1027608798.db2.gz HYQCOSWJDXWURZ-NHYWBVRUSA-N -1 3 314.212 3.680 20 0 DHADHM CC(C)=CCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001133907297 1027701631 /nfs/dbraw/zinc/70/16/31/1027701631.db2.gz SIKCLTOGUVVAEL-LBPRGKRZSA-N -1 3 302.378 3.776 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000296947402 1027765767 /nfs/dbraw/zinc/76/57/67/1027765767.db2.gz OPIOVCMNGFVAFG-GHMZBOCLSA-N -1 3 301.308 3.504 20 0 DHADHM CC1(C)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000577521596 1027804408 /nfs/dbraw/zinc/80/44/08/1027804408.db2.gz JSLRHAGGKLOLPU-GFCCVEGCSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1cccc(C)c1CN(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000933763346 1027816818 /nfs/dbraw/zinc/81/68/18/1027816818.db2.gz UGFRCENDBGPFCM-UHFFFAOYSA-N -1 3 323.396 3.691 20 0 DHADHM CC(=CC1CCC(C)CC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001134128691 1027912118 /nfs/dbraw/zinc/91/21/18/1027912118.db2.gz UAAQEHGQSAEOKA-ZRDIBKRKSA-N -1 3 314.389 3.776 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000365386369 1027935867 /nfs/dbraw/zinc/93/58/67/1027935867.db2.gz DCBHQWWDVQXZRD-QGZVFWFLSA-N -1 3 313.422 3.631 20 0 DHADHM Cc1cc(C(F)(F)C(=O)[N-]C(C)(C)/C=C\Cl)cnc1Cl ZINC000830229501 1027980135 /nfs/dbraw/zinc/98/01/35/1027980135.db2.gz ZETKURVHLSOAKB-PLNGDYQASA-N -1 3 323.170 3.783 20 0 DHADHM FC(F)c1nnc([N-][C@@H]2CC3(CCC3)Oc3ccccc32)o1 ZINC000814364116 1028015894 /nfs/dbraw/zinc/01/58/94/1028015894.db2.gz UQFCZMHTJDCKGG-SNVBAGLBSA-N -1 3 307.300 3.866 20 0 DHADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc2c(c1)CCO2 ZINC001134349792 1028055486 /nfs/dbraw/zinc/05/54/86/1028055486.db2.gz JBFQKZITKICSLS-SNVBAGLBSA-N -1 3 318.756 3.899 20 0 DHADHM O=C(COc1cccc(Cl)c1)Nc1c([O-])cccc1Cl ZINC000563753065 1028186868 /nfs/dbraw/zinc/18/68/68/1028186868.db2.gz NHXLVEFGPJCTCH-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C)cc2[O-])n1 ZINC000367543104 1028197537 /nfs/dbraw/zinc/19/75/37/1028197537.db2.gz XQKJDNHXMLDWBW-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000579086595 1028318232 /nfs/dbraw/zinc/31/82/32/1028318232.db2.gz ARFIRGBDACNHEX-CQSZACIVSA-N -1 3 315.369 3.759 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3ncco3)cc2C)c1 ZINC000579096000 1028321873 /nfs/dbraw/zinc/32/18/73/1028321873.db2.gz NMHXBCHDIIPSTP-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC(C)c1ccc([C@@H](C)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000564151500 1028326487 /nfs/dbraw/zinc/32/64/87/1028326487.db2.gz GWINGVVUXRJQBO-CZUORRHYSA-N -1 3 314.433 3.574 20 0 DHADHM O=C1N[C@@H](c2cc(Cl)ccc2[O-])Nc2ccc(Cl)cc21 ZINC000049067771 1028357218 /nfs/dbraw/zinc/35/72/18/1028357218.db2.gz RTJBDLWANJXVFR-ZDUSSCGKSA-N -1 3 309.152 3.553 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CSc2ccccc21 ZINC000118494922 1028398267 /nfs/dbraw/zinc/39/82/67/1028398267.db2.gz ZJCABKJHBRNEFU-LLVKDONJSA-N -1 3 305.786 3.874 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1c[nH]cc1-c1ccccc1F ZINC000579545614 1028436667 /nfs/dbraw/zinc/43/66/67/1028436667.db2.gz KVHNKAGGKADRAY-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@]12CCc1ccccc12 ZINC000579612208 1028450356 /nfs/dbraw/zinc/45/03/56/1028450356.db2.gz BHXOIXBXVJTWDE-ACJLOTCBSA-N -1 3 313.784 3.888 20 0 DHADHM C[C@]1(C(=O)[O-])CCCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000565101098 1028539431 /nfs/dbraw/zinc/53/94/31/1028539431.db2.gz UCDACUWRVJFAJG-HNNXBMFYSA-N -1 3 316.228 3.723 20 0 DHADHM Cc1cccc(CN(Cc2ccco2)Cc2ncccc2[O-])c1 ZINC000565625548 1028612377 /nfs/dbraw/zinc/61/23/77/1028612377.db2.gz JDLORAJLBFGZEF-UHFFFAOYSA-N -1 3 308.381 3.891 20 0 DHADHM [O-]c1cccnc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000565683696 1028620596 /nfs/dbraw/zinc/62/05/96/1028620596.db2.gz MVNTYTZPVQUORO-LJQANCHMSA-N -1 3 308.356 3.806 20 0 DHADHM Cc1nc(Cl)sc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001135195497 1028620822 /nfs/dbraw/zinc/62/08/22/1028620822.db2.gz VVBNDTGNYCOZCR-UHFFFAOYSA-N -1 3 303.746 3.550 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCOc2ccccc21 ZINC000566825800 1028787420 /nfs/dbraw/zinc/78/74/20/1028787420.db2.gz FNROAFQYCFXWGF-LLVKDONJSA-N -1 3 303.745 3.550 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccc(O)cc2)c1F ZINC000816496345 1028898755 /nfs/dbraw/zinc/89/87/55/1028898755.db2.gz GEVMJDOJNAMGGM-OAHLLOKOSA-N -1 3 305.324 3.713 20 0 DHADHM Cc1ccccc1OCCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000567510255 1028906558 /nfs/dbraw/zinc/90/65/58/1028906558.db2.gz XBHWVOGKFDFGTQ-CQSZACIVSA-N -1 3 317.385 3.748 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cn2)c1[O-] ZINC000567616262 1028928085 /nfs/dbraw/zinc/92/80/85/1028928085.db2.gz XKOHNNOCTUCADA-UHFFFAOYSA-N -1 3 312.369 3.540 20 0 DHADHM Cc1cnc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2[O-])s1 ZINC000373166879 1028966744 /nfs/dbraw/zinc/96/67/44/1028966744.db2.gz ORAQIICTLAUTPQ-AWEZNQCLSA-N -1 3 316.426 3.833 20 0 DHADHM Cc1oc([C@H](C)N(C)CCOc2ccc(C)cc2)cc1C(=O)[O-] ZINC000568059672 1028997861 /nfs/dbraw/zinc/99/78/61/1028997861.db2.gz IKGKQCFYARZOII-ZDUSSCGKSA-N -1 3 317.385 3.666 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000816979252 1029049412 /nfs/dbraw/zinc/04/94/12/1029049412.db2.gz LFDYVMMAZAKWHJ-TVQRCGJNSA-N -1 3 320.216 3.511 20 0 DHADHM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000568538403 1029087162 /nfs/dbraw/zinc/08/71/62/1029087162.db2.gz LWKLZAMMRSKTBD-HNNXBMFYSA-N -1 3 305.736 3.602 20 0 DHADHM O=C([N-]OC1CCCCC1)C1(CCOCc2ccccc2)CC1 ZINC000779321407 1029092140 /nfs/dbraw/zinc/09/21/40/1029092140.db2.gz ZOFYIHKBQDWKPO-UHFFFAOYSA-N -1 3 317.429 3.754 20 0 DHADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1ccccc1C(F)(F)F ZINC000817344664 1029134922 /nfs/dbraw/zinc/13/49/22/1029134922.db2.gz OGXLJJRXZPPKMX-JTQLQIEISA-N -1 3 301.308 3.657 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1-c1ccccc1 ZINC000155514062 1029241121 /nfs/dbraw/zinc/24/11/21/1029241121.db2.gz LBJGAZNEZUSUEF-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1-c1ccccc1 ZINC000155514062 1029241132 /nfs/dbraw/zinc/24/11/32/1029241132.db2.gz LBJGAZNEZUSUEF-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929042 1029271578 /nfs/dbraw/zinc/27/15/78/1029271578.db2.gz CTVKGGFOPVSGDW-SJLPKXTDSA-N -1 3 324.424 3.773 20 0 DHADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])c1C ZINC000817954588 1029292767 /nfs/dbraw/zinc/29/27/67/1029292767.db2.gz ZIUMTOSQUQVXGO-SFHVURJKSA-N -1 3 324.424 3.959 20 0 DHADHM Cc1cnc(C(C)(C)NCc2c([O-])ccc(Cl)c2F)s1 ZINC000191295990 1029361514 /nfs/dbraw/zinc/36/15/14/1029361514.db2.gz GEFFZCJHIAMUAK-UHFFFAOYSA-N -1 3 314.813 3.975 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CCC(C)C)cc1[O-] ZINC000412214211 1029361782 /nfs/dbraw/zinc/36/17/82/1029361782.db2.gz UUBOCKJEJQVVNY-OAHLLOKOSA-N -1 3 303.402 3.636 20 0 DHADHM COc1cc(C)ccc1CNCc1c([O-])ccc(Cl)c1F ZINC000191315087 1029370240 /nfs/dbraw/zinc/37/02/40/1029370240.db2.gz MOHPEGOSEBEMRI-UHFFFAOYSA-N -1 3 309.768 3.792 20 0 DHADHM CCc1ccc(C(=O)NCCc2ccc(Cl)s2)c([O-])c1 ZINC001136277661 1029623285 /nfs/dbraw/zinc/62/32/85/1029623285.db2.gz STXQUJLUNZFFID-UHFFFAOYSA-N -1 3 309.818 3.642 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303429798 1029749859 /nfs/dbraw/zinc/74/98/59/1029749859.db2.gz BRGIHNHBXQBZNR-RYUDHWBXSA-N -1 3 322.286 3.548 20 0 DHADHM CCc1ccc(N(CC)C(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000821444885 1029840417 /nfs/dbraw/zinc/84/04/17/1029840417.db2.gz PHSOFPDWTSGXAO-UHFFFAOYSA-N -1 3 311.381 3.824 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000821480191 1029845784 /nfs/dbraw/zinc/84/57/84/1029845784.db2.gz AUZIBWGDDSHRBE-QMMMGPOBSA-N -1 3 311.250 3.808 20 0 DHADHM C[C@@H](N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)(C)C ZINC001136491839 1029868628 /nfs/dbraw/zinc/86/86/28/1029868628.db2.gz IDWHQYKRYDNZOU-SNVBAGLBSA-N -1 3 320.820 3.688 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000794855474 1029948942 /nfs/dbraw/zinc/94/89/42/1029948942.db2.gz WHSFUKSUNONTIO-LLVKDONJSA-N -1 3 303.324 3.732 20 0 DHADHM CC1(c2ccccc2)CC(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000290275662 1029976072 /nfs/dbraw/zinc/97/60/72/1029976072.db2.gz PZYGIUMUEKLPKT-UHFFFAOYSA-N -1 3 315.800 3.896 20 0 DHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000530897168 1030060774 /nfs/dbraw/zinc/06/07/74/1030060774.db2.gz LHXMAQTXHPMCMD-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H]2CCCC[C@H]2F)cnc1Cl ZINC000822700104 1030102689 /nfs/dbraw/zinc/10/26/89/1030102689.db2.gz JYYFREHURVMDIM-GHMZBOCLSA-N -1 3 320.742 3.532 20 0 DHADHM Cc1nc(-c2ccc(N[C@@H]3CCCC[C@@H]3F)nc2)[n-]c(=O)c1C ZINC000866048204 1030115497 /nfs/dbraw/zinc/11/54/97/1030115497.db2.gz VMUJRLVUUKOTQP-UONOGXRCSA-N -1 3 316.380 3.554 20 0 DHADHM CC1(C)CCc2onc(C(=O)[N-]c3cc(F)cc(F)c3F)c2C1 ZINC000823131380 1030215713 /nfs/dbraw/zinc/21/57/13/1030215713.db2.gz WXSFKAOSDWZJBZ-UHFFFAOYSA-N -1 3 324.302 3.859 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2nn(C)c(C)c2Cl)CC)n1 ZINC000557680768 1030244977 /nfs/dbraw/zinc/24/49/77/1030244977.db2.gz QBTKOXNLSCUSJK-DHZHZOJOSA-N -1 3 320.824 3.781 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000823671848 1030361108 /nfs/dbraw/zinc/36/11/08/1030361108.db2.gz MYQSAMSYJUTZBT-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000823671848 1030361125 /nfs/dbraw/zinc/36/11/25/1030361125.db2.gz MYQSAMSYJUTZBT-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2oc3ccccc3c2C)o1 ZINC000358432046 1030487537 /nfs/dbraw/zinc/48/75/37/1030487537.db2.gz WILRYPIMMZWLPQ-GFCCVEGCSA-N -1 3 319.382 3.682 20 0 DHADHM COc1cc(Nc2ccc([O-])c(F)c2F)c(C(C)=O)cc1OC ZINC001212007544 1030643257 /nfs/dbraw/zinc/64/32/57/1030643257.db2.gz MNKKBNWUURNGDR-UHFFFAOYSA-N -1 3 323.295 3.634 20 0 DHADHM COC(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1Cl ZINC001212011158 1030654083 /nfs/dbraw/zinc/65/40/83/1030654083.db2.gz VQUYIRXYVYSECU-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000626277844 1030657758 /nfs/dbraw/zinc/65/77/58/1030657758.db2.gz SOYQOBBINCDTHG-UHFFFAOYSA-N -1 3 300.333 3.867 20 0 DHADHM COC(=O)c1cc(Nc2ccc([O-])c(F)c2F)c(C)cc1C ZINC001212013653 1030658346 /nfs/dbraw/zinc/65/83/46/1030658346.db2.gz CLOTXJXDXITXEW-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM O=c1ccccn1-c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212014080 1030660939 /nfs/dbraw/zinc/66/09/39/1030660939.db2.gz YMXSZAPKWMTZBB-UHFFFAOYSA-N -1 3 314.291 3.565 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c([O-])c1 ZINC001136967137 1030680163 /nfs/dbraw/zinc/68/01/63/1030680163.db2.gz TVUCOSSPBDMLCV-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CC(C)(C)c3ccccc3)n[n-]2)o1 ZINC000359023504 1030738278 /nfs/dbraw/zinc/73/82/78/1030738278.db2.gz ZYHCZMAEZIJNBW-UHFFFAOYSA-N -1 3 324.384 3.680 20 0 DHADHM Cc1c(N[C@@H](C)c2cc([O-])cc(F)c2)cnn1C1CCOCC1 ZINC000926498636 1030769108 /nfs/dbraw/zinc/76/91/08/1030769108.db2.gz HTSUNMRABFIGEK-NSHDSACASA-N -1 3 319.380 3.561 20 0 DHADHM CC(C)CCCCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304522 1030771422 /nfs/dbraw/zinc/77/14/22/1030771422.db2.gz ALLYKUWPTNONLN-UHFFFAOYSA-N -1 3 319.449 3.672 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCc2ccsc2)c1[O-] ZINC000843884770 1030881633 /nfs/dbraw/zinc/88/16/33/1030881633.db2.gz BNXVMKWOEPNFLZ-UHFFFAOYSA-N -1 3 303.383 3.618 20 0 DHADHM CCCCCCO[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843888096 1030887394 /nfs/dbraw/zinc/88/73/94/1030887394.db2.gz DQOCOPWTYUWFAY-ZDUSSCGKSA-N -1 3 307.390 3.519 20 0 DHADHM O=C(CC1CCSCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000161664666 1030934484 /nfs/dbraw/zinc/93/44/84/1030934484.db2.gz NNUUWQYXLOTWSV-UHFFFAOYSA-N -1 3 319.348 3.883 20 0 DHADHM Nc1ccc(Nc2ncc(Br)cc2[O-])cc1Cl ZINC001212102647 1031053922 /nfs/dbraw/zinc/05/39/22/1031053922.db2.gz HZEAFHZRZNNLES-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM O=C(NCC[C@@H]1CCCS1)c1cc2sccc2c([O-])c1 ZINC000871035705 1031128842 /nfs/dbraw/zinc/12/88/42/1031128842.db2.gz SFIDNTQBNNJMQX-NSHDSACASA-N -1 3 307.440 3.622 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCCCC(F)(F)F)o1 ZINC000871210248 1031159764 /nfs/dbraw/zinc/15/97/64/1031159764.db2.gz BFEAUWORSCPKQE-JQWIXIFHSA-N -1 3 319.323 3.726 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3cccs3)n2)n1 ZINC000559189000 1031160133 /nfs/dbraw/zinc/16/01/33/1031160133.db2.gz JHZVQQFVFXWXKU-PLNGDYQASA-N -1 3 301.396 3.846 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1[O-] ZINC000536686923 1031392237 /nfs/dbraw/zinc/39/22/37/1031392237.db2.gz ZYUWOTJXBOCINI-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872040348 1031425489 /nfs/dbraw/zinc/42/54/89/1031425489.db2.gz XZNXTKOTKXADLP-NHYWBVRUSA-N -1 3 317.360 3.714 20 0 DHADHM Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872046600 1031433622 /nfs/dbraw/zinc/43/36/22/1031433622.db2.gz JLKBCPBDNBDXQC-SWLSCSKDSA-N -1 3 301.361 3.932 20 0 DHADHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC000872049073 1031435967 /nfs/dbraw/zinc/43/59/67/1031435967.db2.gz PKGXTUNENCJNPC-NOZJJQNGSA-N -1 3 307.752 3.969 20 0 DHADHM C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC000872049075 1031436675 /nfs/dbraw/zinc/43/66/75/1031436675.db2.gz PKGXTUNENCJNPC-TVQRCGJNSA-N -1 3 307.752 3.969 20 0 DHADHM COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc([O-])c1F)CCO2 ZINC000872062850 1031459054 /nfs/dbraw/zinc/45/90/54/1031459054.db2.gz KLNQTNMFVDJUMW-ABAIWWIYSA-N -1 3 317.360 3.714 20 0 DHADHM Cc1c(N[C@@H](C)c2cccc([O-])c2F)cnn1C1CCOCC1 ZINC000872076310 1031472471 /nfs/dbraw/zinc/47/24/71/1031472471.db2.gz ZEHGELGXWUHSEL-NSHDSACASA-N -1 3 319.380 3.561 20 0 DHADHM O=C([N-]c1nc2c(s1)CCC2)c1snc(Cl)c1Cl ZINC000845110621 1031475859 /nfs/dbraw/zinc/47/58/59/1031475859.db2.gz DWZSYJJDYVUDEG-UHFFFAOYSA-N -1 3 320.226 3.647 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1 ZINC000536994086 1031484180 /nfs/dbraw/zinc/48/41/80/1031484180.db2.gz YKKIAFMUBKLQGQ-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM Nc1ccc(C(=O)OC[C@H]2CCCCC2(F)F)c([O-])c1Cl ZINC000845191610 1031499240 /nfs/dbraw/zinc/49/92/40/1031499240.db2.gz KDPVDHCECJNNFT-MRVPVSSYSA-N -1 3 319.735 3.610 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1 ZINC000537196031 1031527981 /nfs/dbraw/zinc/52/79/81/1031527981.db2.gz NFEHBAIHNXWCLP-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM O=C([O-])c1cc(CN2CCC(c3cccc(F)c3)CC2)cs1 ZINC000872165232 1031542757 /nfs/dbraw/zinc/54/27/57/1031542757.db2.gz CCTFFXOSTFXPEB-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCC1=CCCCC1)CC2 ZINC000872166027 1031544711 /nfs/dbraw/zinc/54/47/11/1031544711.db2.gz ARNFVRALJVIJHE-UHFFFAOYSA-N -1 3 315.413 3.642 20 0 DHADHM [O-]c1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1Cl ZINC000293861971 1031663440 /nfs/dbraw/zinc/66/34/40/1031663440.db2.gz IJEHGICACIQUMC-GDBMZVCRSA-N -1 3 307.821 3.579 20 0 DHADHM COc1ccc([C@@H]2CCN(Cc3c(F)cc([O-])cc3F)C2)cc1 ZINC001144561717 1031713713 /nfs/dbraw/zinc/71/37/13/1031713713.db2.gz MUDYHYCXVSRSPX-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM CCCN(CCc1ccccn1)Cc1c(F)cc([O-])cc1F ZINC001144560306 1031713753 /nfs/dbraw/zinc/71/37/53/1031713753.db2.gz ZZTMCRNFCQEOPL-UHFFFAOYSA-N -1 3 306.356 3.520 20 0 DHADHM Cc1ccc2nc(NC(=O)Cc3ccc([O-])c(F)c3)sc2c1 ZINC001144615817 1031766617 /nfs/dbraw/zinc/76/66/17/1031766617.db2.gz CULAZWHQQDOWEE-UHFFFAOYSA-N -1 3 316.357 3.631 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1[O-] ZINC001144622022 1031770985 /nfs/dbraw/zinc/77/09/85/1031770985.db2.gz CJMOHGUQCXBQFC-IBGZPJMESA-N -1 3 323.392 3.866 20 0 DHADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cc2scnc21 ZINC001144631576 1031780422 /nfs/dbraw/zinc/78/04/22/1031780422.db2.gz UUDCHGCDNJEKSS-UHFFFAOYSA-N -1 3 316.357 3.631 20 0 DHADHM CN(CC/C=C/c1cccnc1)Cc1cc(F)c([O-])cc1F ZINC001144659383 1031813549 /nfs/dbraw/zinc/81/35/49/1031813549.db2.gz GYFUYRNVZHFBBF-GORDUTHDSA-N -1 3 304.340 3.601 20 0 DHADHM CC(C)CONC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000124520523 1031820793 /nfs/dbraw/zinc/82/07/93/1031820793.db2.gz DFWBMIGVNUTIAV-UHFFFAOYSA-N -1 3 301.342 3.502 20 0 DHADHM CC(C)(C)c1cc(CO[N-]C(=O)CCC2CCCCC2)no1 ZINC000842028813 1031956561 /nfs/dbraw/zinc/95/65/61/1031956561.db2.gz SKRTVGNVIJMRKH-UHFFFAOYSA-N -1 3 308.422 3.880 20 0 DHADHM Cc1cc(CO[N-]C(=O)CCCc2ccccc2)cc(Cl)n1 ZINC000842028276 1031957807 /nfs/dbraw/zinc/95/78/07/1031957807.db2.gz RGKJZVZMAQCJDW-UHFFFAOYSA-N -1 3 318.804 3.614 20 0 DHADHM CCCCC[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000874040157 1031966747 /nfs/dbraw/zinc/96/67/47/1031966747.db2.gz HJKQYTZSCVLUMR-INIZCTEOSA-N -1 3 315.417 3.530 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](CC)CO1 ZINC000846375242 1031968845 /nfs/dbraw/zinc/96/88/45/1031968845.db2.gz NKIYGFFCGIWHBL-HZPDHXFCSA-N -1 3 313.397 3.575 20 0 DHADHM CC1(C)CCc2onc(C(=O)[N-]c3c(F)cccc3F)c2C1 ZINC000874121045 1031979465 /nfs/dbraw/zinc/97/94/65/1031979465.db2.gz WFSRMQBHXSRXFU-UHFFFAOYSA-N -1 3 306.312 3.720 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCc1ccc(F)c(F)c1 ZINC000772939807 1032005382 /nfs/dbraw/zinc/00/53/82/1032005382.db2.gz MQHGIOQXUQLQOB-UHFFFAOYSA-N -1 3 319.351 3.578 20 0 DHADHM CC1=C(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000361620597 1032020305 /nfs/dbraw/zinc/02/03/05/1032020305.db2.gz RDKCNOGVBPOHBR-UHFFFAOYSA-N -1 3 309.369 3.624 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846583910 1032024856 /nfs/dbraw/zinc/02/48/56/1032024856.db2.gz SGONYARFPWWPSW-HNNXBMFYSA-N -1 3 323.364 3.868 20 0 DHADHM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000561699688 1032037422 /nfs/dbraw/zinc/03/74/22/1032037422.db2.gz STNYQCXDMGTOKP-ARJAWSKDSA-N -1 3 303.383 3.529 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cnc(CCC)s2)s1 ZINC000152040162 1033499882 /nfs/dbraw/zinc/49/98/82/1033499882.db2.gz OYCCBNQARUCPCF-UHFFFAOYSA-N -1 3 310.448 3.542 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(Cl)ccc32)c1 ZINC000552957986 1033567425 /nfs/dbraw/zinc/56/74/25/1033567425.db2.gz WQTKZNVWZWXMDP-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM C[C@@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)c2ccccc21 ZINC000878209388 1033623358 /nfs/dbraw/zinc/62/33/58/1033623358.db2.gz DKNULDYGTVPTBB-CYBMUJFWSA-N -1 3 321.380 3.956 20 0 DHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc([C@H](C)CC)c1 ZINC000861317141 1033633249 /nfs/dbraw/zinc/63/32/49/1033633249.db2.gz OQDCMNWTDWPZSS-GFCCVEGCSA-N -1 3 322.405 3.595 20 0 DHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000861317141 1033633254 /nfs/dbraw/zinc/63/32/54/1033633254.db2.gz OQDCMNWTDWPZSS-GFCCVEGCSA-N -1 3 322.405 3.595 20 0 DHADHM Cc1nc(C(C)C)ncc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000878379909 1033683989 /nfs/dbraw/zinc/68/39/89/1033683989.db2.gz WKNGGSFGUQFTKH-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)c1 ZINC000479525554 1033791162 /nfs/dbraw/zinc/79/11/62/1033791162.db2.gz UWNISUINMWVYLP-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM CCC[C@H](CNC(=O)c1cc2sccc2c([O-])c1)OCC ZINC000862415642 1033847094 /nfs/dbraw/zinc/84/70/94/1033847094.db2.gz GIWSZTBJZACIAV-GFCCVEGCSA-N -1 3 307.415 3.542 20 0 DHADHM CC(C)(CC(=O)NCc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000878912578 1033865875 /nfs/dbraw/zinc/86/58/75/1033865875.db2.gz HGQUSBQBSXWCJM-UHFFFAOYSA-N -1 3 307.287 3.516 20 0 DHADHM CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175551966 1034025058 /nfs/dbraw/zinc/02/50/58/1034025058.db2.gz UGOIZMQNCSGHEB-NWDGAFQWSA-N -1 3 308.397 3.640 20 0 DHADHM CCc1cc2c(CSc3ccncc3)cc(=O)oc2cc1[O-] ZINC000119331803 1034025203 /nfs/dbraw/zinc/02/52/03/1034025203.db2.gz ULRJPJUJOJPEJB-UHFFFAOYSA-N -1 3 313.378 3.748 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cnc2ccccc2c1 ZINC001174000895 1034029897 /nfs/dbraw/zinc/02/98/97/1034029897.db2.gz DXSDZYXSJZKQSE-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM CCCOc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000863364828 1034077885 /nfs/dbraw/zinc/07/78/85/1034077885.db2.gz YDUHZDVRZPIUFI-UHFFFAOYSA-N -1 3 317.364 3.600 20 0 DHADHM C/C(=C/CN1CC=C(c2ccc(Cl)cc2C)CC1)C(=O)[O-] ZINC000863474199 1034105899 /nfs/dbraw/zinc/10/58/99/1034105899.db2.gz LAUHUVITVWNMQB-XGICHPGQSA-N -1 3 305.805 3.768 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c(F)cc1F ZINC000554352306 1034109173 /nfs/dbraw/zinc/10/91/73/1034109173.db2.gz SAZRRWSUBWFKEM-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174151124 1034177481 /nfs/dbraw/zinc/17/74/81/1034177481.db2.gz ZBZVDTNTPLOCIY-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM Cc1nonc1[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000119615533 1034190509 /nfs/dbraw/zinc/19/05/09/1034190509.db2.gz YKBLOCCKULWHNN-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM CCCn1cc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001174221167 1034231064 /nfs/dbraw/zinc/23/10/64/1034231064.db2.gz JCVURSQSJHADSX-UHFFFAOYSA-N -1 3 314.158 3.644 20 0 DHADHM CC=Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000554781382 1034329683 /nfs/dbraw/zinc/32/96/83/1034329683.db2.gz XKRXQGHOKOXEMY-NSCUHMNNSA-N -1 3 309.291 3.846 20 0 DHADHM CC(C)(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000864510619 1034369116 /nfs/dbraw/zinc/36/91/16/1034369116.db2.gz YBZISMIXRWRNIM-OAHLLOKOSA-N -1 3 319.426 3.841 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1sc(C)nc1C ZINC000864529456 1034379737 /nfs/dbraw/zinc/37/97/37/1034379737.db2.gz XNEOANMFDQWDQT-OAHLLOKOSA-N -1 3 318.442 3.628 20 0 DHADHM CCOc1ncccc1Nc1cccc([O-])c1Br ZINC001174458099 1034422915 /nfs/dbraw/zinc/42/29/15/1034422915.db2.gz CEVCHBVRQAWZTG-UHFFFAOYSA-N -1 3 309.163 3.692 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174520584 1034476038 /nfs/dbraw/zinc/47/60/38/1034476038.db2.gz DVLFYUIKWQLZML-UHFFFAOYSA-N -1 3 307.300 3.555 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174520247 1034476317 /nfs/dbraw/zinc/47/63/17/1034476317.db2.gz LKIRWAWCEFVXFC-UHFFFAOYSA-N -1 3 307.300 3.555 20 0 DHADHM Cc1nc(C[S@](=O)c2ccc([O-])cc2)sc1C(C)(C)C ZINC000899275419 1034550858 /nfs/dbraw/zinc/55/08/58/1034550858.db2.gz DPCUBOLSQMRHHW-FQEVSTJZSA-N -1 3 309.456 3.762 20 0 DHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1C(=O)NC(C)C ZINC000185595778 1034560003 /nfs/dbraw/zinc/56/00/03/1034560003.db2.gz TWHYPPVWEKNULP-UHFFFAOYSA-N -1 3 316.376 3.590 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(F)c(C)c2)CC)n1 ZINC000899370936 1034618609 /nfs/dbraw/zinc/61/86/09/1034618609.db2.gz CCAPFMMPNWKUKX-MDWZMJQESA-N -1 3 301.365 3.516 20 0 DHADHM O=C(NCC[C@H]1CCCC1(F)F)c1cc([O-])ccc1Cl ZINC000881586323 1034641989 /nfs/dbraw/zinc/64/19/89/1034641989.db2.gz MXBZMQUJDTUUMC-SECBINFHSA-N -1 3 303.736 3.601 20 0 DHADHM CCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000015661960 1034653525 /nfs/dbraw/zinc/65/35/25/1034653525.db2.gz YWVHFKWDXXBJOL-AQTBWJFISA-N -1 3 321.376 3.676 20 0 DHADHM COC(=O)c1oc(C(=O)[N-]c2ccc(C)cc2SC)cc1C ZINC000600011354 1034668219 /nfs/dbraw/zinc/66/82/19/1034668219.db2.gz HVQRODZZYSGCAM-UHFFFAOYSA-N -1 3 319.382 3.657 20 0 DHADHM O=c1cc(Nc2cccc3ncccc32)[n-]n1-c1ccccc1 ZINC001174906475 1034671847 /nfs/dbraw/zinc/67/18/47/1034671847.db2.gz MIIGHWYMEFCCIG-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)CCOC2(CCC2)C1 ZINC000899488185 1034706134 /nfs/dbraw/zinc/70/61/34/1034706134.db2.gz NGNPNMQGDUIMGF-INIZCTEOSA-N -1 3 323.820 3.515 20 0 DHADHM O=c1cc(Nc2c(F)ccc(F)c2F)[n-]n1-c1ccccc1 ZINC001175028729 1034760716 /nfs/dbraw/zinc/76/07/16/1034760716.db2.gz VSUONCKWRNDEHD-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM COC(=O)c1cc(C)c(Nc2c(F)cc([O-])cc2F)cc1C ZINC001175099407 1034779233 /nfs/dbraw/zinc/77/92/33/1034779233.db2.gz FKNOAQKAAZYKLN-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(O)cc2Br)c(F)c1 ZINC001175100095 1034780913 /nfs/dbraw/zinc/78/09/13/1034780913.db2.gz UZCADEWMZOTBJG-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM Cc1nc(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2)no1 ZINC001175099530 1034781102 /nfs/dbraw/zinc/78/11/02/1034781102.db2.gz LEKSXXHOHRDIPT-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM COC(=O)c1cc(Cl)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099589 1034782158 /nfs/dbraw/zinc/78/21/58/1034782158.db2.gz NWBQTKSCMDFULL-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CCOc1ccc(F)cc1[N-]c1nnc(Br)s1 ZINC001175079212 1034797876 /nfs/dbraw/zinc/79/78/76/1034797876.db2.gz FIVKVHAKYCVJON-UHFFFAOYSA-N -1 3 318.171 3.582 20 0 DHADHM CCN(CCO)c1ccc(Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001175096884 1034811869 /nfs/dbraw/zinc/81/18/69/1034811869.db2.gz KZXLJTFFIPQJKJ-UHFFFAOYSA-N -1 3 322.355 3.541 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000192725055 1034816556 /nfs/dbraw/zinc/81/65/56/1034816556.db2.gz LLKKNUZDMSXFPS-KBPBESRZSA-N -1 3 315.417 3.690 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000192735926 1034816804 /nfs/dbraw/zinc/81/68/04/1034816804.db2.gz NGWWKJZTEZAYOG-NXEZZACHSA-N -1 3 309.772 3.695 20 0 DHADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000192724909 1034817142 /nfs/dbraw/zinc/81/71/42/1034817142.db2.gz ZMRIEFXFBFIDKB-BXUZGUMPSA-N -1 3 305.809 3.946 20 0 DHADHM CCOc1cc(Nc2cnc(C)[n-]c2=O)cc(C(F)(F)F)c1 ZINC001175139813 1034834929 /nfs/dbraw/zinc/83/49/29/1034834929.db2.gz PYROZTKRSZVJJR-UHFFFAOYSA-N -1 3 313.279 3.652 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(Br)nc2)c1F ZINC001175261569 1034912330 /nfs/dbraw/zinc/91/23/30/1034912330.db2.gz NAPUDWGYDHGZEE-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncc(Br)cc2F)c1F ZINC001175263890 1034911860 /nfs/dbraw/zinc/91/18/60/1034911860.db2.gz VVZJNQAYCXOGQW-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1cc(Br)cnc1Nc1c(F)ccc([O-])c1F ZINC001175261215 1034912312 /nfs/dbraw/zinc/91/23/12/1034912312.db2.gz GQFAQVOGSUQKKD-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1cccc(-n2nccc2Nc2c(F)ccc([O-])c2F)c1 ZINC001175265859 1034913671 /nfs/dbraw/zinc/91/36/71/1034913671.db2.gz LCTUOSSTGGTJEC-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(F)c1 ZINC001175266062 1034913706 /nfs/dbraw/zinc/91/37/06/1034913706.db2.gz UHGAFMPAPKWTMX-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COc1cc(OC)c(F)c(Nc2c(F)ccc([O-])c2F)c1F ZINC001175266034 1034913908 /nfs/dbraw/zinc/91/39/08/1034913908.db2.gz SWEIYGUUIWSENA-UHFFFAOYSA-N -1 3 317.238 3.709 20 0 DHADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)ccc1Cl ZINC001175267593 1034914208 /nfs/dbraw/zinc/91/42/08/1034914208.db2.gz BPCZKOCKNMAVFD-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1cc(C)cc(C)c1 ZINC000448675225 1034928334 /nfs/dbraw/zinc/92/83/34/1034928334.db2.gz LVKFXVJSAJAZQU-UHFFFAOYSA-N -1 3 301.361 3.744 20 0 DHADHM FC(F)(F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429699 1034978429 /nfs/dbraw/zinc/97/84/29/1034978429.db2.gz YPURSDHDPNDUKJ-UHFFFAOYSA-N -1 3 305.263 3.629 20 0 DHADHM Nc1ccccc1N(c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001175432221 1034980524 /nfs/dbraw/zinc/98/05/24/1034980524.db2.gz KPGRJEPPVOMROX-UHFFFAOYSA-N -1 3 320.400 3.530 20 0 DHADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC001175432586 1034980893 /nfs/dbraw/zinc/98/08/93/1034980893.db2.gz IXVOYHPTSNPCIJ-UHFFFAOYSA-N -1 3 317.299 3.520 20 0 DHADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccncc12 ZINC001175433148 1034982368 /nfs/dbraw/zinc/98/23/68/1034982368.db2.gz QMYHEVNLCNIJQE-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1ccnc2c(Nc3ccc(-c4nn[n-]n4)cc3)cccc12 ZINC001175433426 1034982649 /nfs/dbraw/zinc/98/26/49/1034982649.db2.gz XBTCKKBWOUBMPN-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Cc1ccc2[nH]ncc2c1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175527924 1035028848 /nfs/dbraw/zinc/02/88/48/1035028848.db2.gz WYAMUEIDONXRSX-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM Cn1cc2cc(Nc3cccc([O-])c3Br)ccc2n1 ZINC001175625443 1035053241 /nfs/dbraw/zinc/05/32/41/1035053241.db2.gz LUIAPEPVRUOTJZ-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM C[C@@H](CCC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000158864524 1035105963 /nfs/dbraw/zinc/10/59/63/1035105963.db2.gz MTBKVGACYDNBSA-LBPRGKRZSA-N -1 3 310.357 3.587 20 0 DHADHM O=c1cc(Nc2cnn(-c3ccccc3)c2)[n-]n1-c1ccccc1 ZINC001175793316 1035124879 /nfs/dbraw/zinc/12/48/79/1035124879.db2.gz WNGRTNOJFBXKGR-UHFFFAOYSA-N -1 3 317.352 3.507 20 0 DHADHM NC(=O)c1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1[O-] ZINC001175859369 1035146260 /nfs/dbraw/zinc/14/62/60/1035146260.db2.gz SIEYNMIAOZOQHX-UHFFFAOYSA-N -1 3 317.348 3.869 20 0 DHADHM NC(=O)c1ccc(Nc2cccc(OC3CCCC3)c2)cc1[O-] ZINC001176099004 1035193830 /nfs/dbraw/zinc/19/38/30/1035193830.db2.gz IMCQPUIGUOOFOG-UHFFFAOYSA-N -1 3 312.369 3.556 20 0 DHADHM COC[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)c1ccc(C)o1 ZINC000902274356 1035210299 /nfs/dbraw/zinc/21/02/99/1035210299.db2.gz ZUHBPDHEGRNGMU-PMPSAXMXSA-N -1 3 323.433 3.679 20 0 DHADHM [O-]c1c(F)cc(Nc2cnn(Cc3cccs3)c2)cc1F ZINC001176162911 1035221760 /nfs/dbraw/zinc/22/17/60/1035221760.db2.gz YQWZUMQXBFQDHR-UHFFFAOYSA-N -1 3 307.325 3.720 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)ccc1N ZINC001176337908 1035243417 /nfs/dbraw/zinc/24/34/17/1035243417.db2.gz GGWXJKLZJYFSRN-UHFFFAOYSA-N -1 3 324.833 3.648 20 0 DHADHM O=C1CCCc2nc([N-]c3c(F)cc(F)c(F)c3F)sc21 ZINC001176346042 1035246321 /nfs/dbraw/zinc/24/63/21/1035246321.db2.gz IQYQFCUIHNIUCR-UHFFFAOYSA-N -1 3 316.279 3.962 20 0 DHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc2[nH]ccc21 ZINC000568226419 1035260143 /nfs/dbraw/zinc/26/01/43/1035260143.db2.gz XEAPSYRTQYANTM-UHFFFAOYSA-N -1 3 320.801 3.763 20 0 DHADHM CN1CCc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2C1 ZINC001176587983 1035290858 /nfs/dbraw/zinc/29/08/58/1035290858.db2.gz FLLZNXCPFFPBRM-UHFFFAOYSA-N -1 3 322.408 3.534 20 0 DHADHM NC(=O)c1ccc(NC=Cc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC001176662761 1035317042 /nfs/dbraw/zinc/31/70/42/1035317042.db2.gz WOFRFUSBLROWLO-BQYQJAHWSA-N -1 3 322.286 3.593 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C=Cc1sccc1C ZINC001177075826 1035348629 /nfs/dbraw/zinc/34/86/29/1035348629.db2.gz NBDIEVSHOQSUGU-VOTSOKGWSA-N -1 3 301.367 3.617 20 0 DHADHM O=C([O-])[C@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)CC1 ZINC000904056872 1035355200 /nfs/dbraw/zinc/35/52/00/1035355200.db2.gz RXVPAFMNANWQDW-AOOOYVTPSA-N -1 3 302.201 3.726 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cccc3ncccc23)c([O-])c1 ZINC001177271434 1035362026 /nfs/dbraw/zinc/36/20/26/1035362026.db2.gz JAQXZPBSNKMATM-UHFFFAOYSA-N -1 3 320.392 3.994 20 0 DHADHM CC(C)n1cc(NC(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904197447 1035384289 /nfs/dbraw/zinc/38/42/89/1035384289.db2.gz DEIUDKXCBFYFDX-UHFFFAOYSA-N -1 3 316.405 3.710 20 0 DHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000904400038 1035409882 /nfs/dbraw/zinc/40/98/82/1035409882.db2.gz CVTPPIXOXZCEQK-CYBMUJFWSA-N -1 3 321.364 3.844 20 0 DHADHM Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC001178642440 1035442103 /nfs/dbraw/zinc/44/21/03/1035442103.db2.gz XRLUBMUSGNBLCQ-UHFFFAOYSA-N -1 3 301.361 3.893 20 0 DHADHM O=C(/C=C/c1cc(F)c(F)cc1F)Nc1ccc(F)c([O-])c1 ZINC001179884861 1035532310 /nfs/dbraw/zinc/53/23/10/1035532310.db2.gz KKLKOUDEWWGNSO-DAFODLJHSA-N -1 3 311.234 3.601 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCc2c(O)cccc21 ZINC000190809936 1035637207 /nfs/dbraw/zinc/63/72/07/1035637207.db2.gz JFXCLYGJFGESEY-ZDUSSCGKSA-N -1 3 317.772 3.810 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC001180392946 1035664210 /nfs/dbraw/zinc/66/42/10/1035664210.db2.gz YLBZUSOKHIWGKU-UHFFFAOYSA-N -1 3 323.392 3.655 20 0 DHADHM O=C(Nc1c([O-])cccc1Br)OC1CCCC1 ZINC001193555885 1035675193 /nfs/dbraw/zinc/67/51/93/1035675193.db2.gz OAHOJAXNCNIEGE-UHFFFAOYSA-N -1 3 300.152 3.646 20 0 DHADHM CCc1ccc(OCC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001180516196 1035694475 /nfs/dbraw/zinc/69/44/75/1035694475.db2.gz PIECEVYMRHXSRX-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1nc2ccccc2s1 ZINC000191563873 1035697712 /nfs/dbraw/zinc/69/77/12/1035697712.db2.gz HAUXQXYZVVQDCD-UHFFFAOYSA-N -1 3 316.407 3.976 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cc(Cl)cc2[nH]ccc21 ZINC001193936363 1035763884 /nfs/dbraw/zinc/76/38/84/1035763884.db2.gz OCNCNCQKWFDBME-UHFFFAOYSA-N -1 3 316.744 3.793 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124487342 1035825894 /nfs/dbraw/zinc/82/58/94/1035825894.db2.gz PHMHJRSEKACFQI-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)sc1Cl ZINC000669844052 1035864120 /nfs/dbraw/zinc/86/41/20/1035864120.db2.gz ROHIWISOGMCUGE-QMMMGPOBSA-N -1 3 321.876 3.811 20 0 DHADHM Cc1cn(CCC(=O)Nc2ccc(F)c([O-])c2)c2ccccc12 ZINC001181210095 1035869665 /nfs/dbraw/zinc/86/96/65/1035869665.db2.gz BHJUFVKRXYJLIK-UHFFFAOYSA-N -1 3 312.344 3.823 20 0 DHADHM Cc1ccc(OC(=O)N=c2[nH]c3c(cccc3[O-])s2)cc1 ZINC001194419754 1035925622 /nfs/dbraw/zinc/92/56/22/1035925622.db2.gz ORIQLXVUFWYHFT-UHFFFAOYSA-N -1 3 300.339 3.921 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(C(F)(F)F)o1 ZINC001194417746 1035925667 /nfs/dbraw/zinc/92/56/67/1035925667.db2.gz PFDYXTQNVMENII-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM Cc1oc([C@@H](C)N2CCC(OC3CCCC3)CC2)cc1C(=O)[O-] ZINC000519830056 1035944805 /nfs/dbraw/zinc/94/48/05/1035944805.db2.gz VFBPOHVESAZONA-GFCCVEGCSA-N -1 3 321.417 3.771 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C)c1C ZINC001194644232 1035975808 /nfs/dbraw/zinc/97/58/08/1035975808.db2.gz QBWDTZHSZQWHDT-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC001194644401 1035976171 /nfs/dbraw/zinc/97/61/71/1035976171.db2.gz RWBWUJIAMCCBFA-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM CC[C@@H](CC(C)C)C(=O)Nc1ncc([O-])cc1Br ZINC001181817836 1036000651 /nfs/dbraw/zinc/00/06/51/1036000651.db2.gz XYCIWPHCRFDJPN-VIFPVBQESA-N -1 3 315.211 3.561 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c(C)c1C ZINC001194835183 1036046379 /nfs/dbraw/zinc/04/63/79/1036046379.db2.gz HDGZCYYVYRAJIJ-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC001194916796 1036074041 /nfs/dbraw/zinc/07/40/41/1036074041.db2.gz JZOOFNGJOLDNLA-SECBINFHSA-N -1 3 324.273 3.954 20 0 DHADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1Cl ZINC000486057142 1036107653 /nfs/dbraw/zinc/10/76/53/1036107653.db2.gz YRATUTNDHHLMBF-RQOWECAXSA-N -1 3 323.783 3.964 20 0 DHADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1Cl ZINC000486057141 1036108113 /nfs/dbraw/zinc/10/81/13/1036108113.db2.gz YRATUTNDHHLMBF-DUXPYHPUSA-N -1 3 323.783 3.964 20 0 DHADHM CSc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486073140 1036116918 /nfs/dbraw/zinc/11/69/18/1036116918.db2.gz CEOKUUUYMDOLSQ-GORDUTHDSA-N -1 3 321.405 3.724 20 0 DHADHM Cc1cc(C)cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486106712 1036130059 /nfs/dbraw/zinc/13/00/59/1036130059.db2.gz VXPBNIPDZHIPBF-ARJAWSKDSA-N -1 3 303.365 3.619 20 0 DHADHM COc1ccc(C(C)(C)CC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001182439978 1036289602 /nfs/dbraw/zinc/28/96/02/1036289602.db2.gz FNFRVVWQBLQAQW-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM CC(C)(C)OCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775667365 1036304075 /nfs/dbraw/zinc/30/40/75/1036304075.db2.gz PHWPIKXZEZZHSQ-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775667365 1036304092 /nfs/dbraw/zinc/30/40/92/1036304092.db2.gz PHWPIKXZEZZHSQ-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC000908164143 1036336459 /nfs/dbraw/zinc/33/64/59/1036336459.db2.gz IVEVAJIHKBGOBQ-UHFFFAOYSA-N -1 3 317.776 3.528 20 0 DHADHM CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195807926 1036352964 /nfs/dbraw/zinc/35/29/64/1036352964.db2.gz VDKYZFMLRZBMQM-UHFFFAOYSA-N -1 3 319.426 3.626 20 0 DHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195807926 1036352983 /nfs/dbraw/zinc/35/29/83/1036352983.db2.gz VDKYZFMLRZBMQM-UHFFFAOYSA-N -1 3 319.426 3.626 20 0 DHADHM Cc1cc(=O)[n-]c(CSc2ncc(C(C)C)n2C(C)C)n1 ZINC000761864921 1036374026 /nfs/dbraw/zinc/37/40/26/1036374026.db2.gz LPBZBKNLBPRHDN-UHFFFAOYSA-N -1 3 306.435 3.684 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)no1)c1ccsc1Cl ZINC001182540482 1036384995 /nfs/dbraw/zinc/38/49/95/1036384995.db2.gz CXPUORPENATXAL-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM Cc1cccc(Br)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000486796908 1036413714 /nfs/dbraw/zinc/41/37/14/1036413714.db2.gz BYORRTKMWRRPQA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)c1ccc(-c2nc(CC3CCOCC3)no2)c([O-])c1 ZINC000761979772 1036425827 /nfs/dbraw/zinc/42/58/27/1036425827.db2.gz NTVBUVLIHUPFRK-UHFFFAOYSA-N -1 3 302.374 3.535 20 0 DHADHM Cc1c(Cl)cc(F)c(NC([O-])=NO[C@H]2CCCCO2)c1F ZINC000775688857 1036462557 /nfs/dbraw/zinc/46/25/57/1036462557.db2.gz CGTOQPSUHBBQHL-JTQLQIEISA-N -1 3 320.723 3.506 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 ZINC001196161918 1036464771 /nfs/dbraw/zinc/46/47/71/1036464771.db2.gz XXVJZMMMYFATMR-UHFFFAOYSA-N -1 3 313.304 3.615 20 0 DHADHM CC[C@H](C)Oc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1 ZINC000542186995 1036525144 /nfs/dbraw/zinc/52/51/44/1036525144.db2.gz DMJVKNWOYWDAHN-NSHDSACASA-N -1 3 312.344 3.907 20 0 DHADHM COc1ncc(C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000350111459 1036626496 /nfs/dbraw/zinc/62/64/96/1036626496.db2.gz ATQOYJDGLBWOBG-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1ccccc1C/C(C)=C/C(=O)Nc1cccc([O-])c1F ZINC000762318118 1036696848 /nfs/dbraw/zinc/69/68/48/1036696848.db2.gz ZSDAECSFKPWOQF-VAWYXSNFSA-N -1 3 315.344 3.667 20 0 DHADHM O=C(OCc1csc(C2CC2)n1)c1cccc(Cl)c1[O-] ZINC000784562726 1036720471 /nfs/dbraw/zinc/72/04/71/1036720471.db2.gz NAAMKSJQMGLTRD-UHFFFAOYSA-N -1 3 309.774 3.737 20 0 DHADHM [O-]c1cccc(F)c1NC(=S)NCc1ccc(Cl)cc1 ZINC001197581247 1036794743 /nfs/dbraw/zinc/79/47/43/1036794743.db2.gz VDTHGZBTMOCYBA-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1csc(Cl)c1 ZINC001197567419 1036802707 /nfs/dbraw/zinc/80/27/07/1036802707.db2.gz XOJXGLDUNOUQLR-UHFFFAOYSA-N -1 3 323.773 3.622 20 0 DHADHM CC(C)(C)c1ccnc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001184568549 1036886575 /nfs/dbraw/zinc/88/65/75/1036886575.db2.gz LECNXTRFXXZPMM-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM Cc1c(Cl)cccc1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001184649709 1036921140 /nfs/dbraw/zinc/92/11/40/1036921140.db2.gz WFMFZXAKTCKDOV-UHFFFAOYSA-N -1 3 318.764 3.665 20 0 DHADHM C[C@H]1CC/C(=C/C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000762819998 1036954061 /nfs/dbraw/zinc/95/40/61/1036954061.db2.gz WXWRKUVHZPSQBG-CBFJXKFUSA-N -1 3 310.191 3.840 20 0 DHADHM C[C@@H](NC(=O)Nc1nc2c(cccc2[O-])s1)c1ccccc1 ZINC001184973017 1036984524 /nfs/dbraw/zinc/98/45/24/1036984524.db2.gz LJRSZTHNRULBNO-SNVBAGLBSA-N -1 3 313.382 3.885 20 0 DHADHM O=C1[N-]C(=O)/C(=C\c2csc(Cl)c2Cl)c2ccccc21 ZINC000761479423 1036984765 /nfs/dbraw/zinc/98/47/65/1036984765.db2.gz VLBZFMHUTZAKHH-YHYXMXQVSA-N -1 3 324.188 3.866 20 0 DHADHM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1ccc(F)c(F)c1 ZINC001185057642 1037001122 /nfs/dbraw/zinc/00/11/22/1037001122.db2.gz SENFVTMZERSQHA-UHFFFAOYSA-N -1 3 322.315 3.626 20 0 DHADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001185231474 1037074250 /nfs/dbraw/zinc/07/42/50/1037074250.db2.gz AXXHYGFQDBLQQR-LBPRGKRZSA-N -1 3 318.870 3.538 20 0 DHADHM O=C(Nc1ccc(F)c(F)c1F)Nc1ncc([O-])cc1Cl ZINC001185302930 1037099135 /nfs/dbraw/zinc/09/91/35/1037099135.db2.gz LJOPMWXZMSHOIE-UHFFFAOYSA-N -1 3 317.654 3.502 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OC1CCCC1 ZINC000774865616 1037120494 /nfs/dbraw/zinc/12/04/94/1037120494.db2.gz PYICVVQMAVTPAN-UHFFFAOYSA-N -1 3 311.381 3.793 20 0 DHADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC2CCCC2)c1 ZINC000774875384 1037136511 /nfs/dbraw/zinc/13/65/11/1037136511.db2.gz QHKPHPZLZZNFGS-UHFFFAOYSA-N -1 3 305.418 3.843 20 0 DHADHM Cc1ccc(NC(=O)NCc2ccc(F)cc2)c(Cl)c1[O-] ZINC001185474081 1037154253 /nfs/dbraw/zinc/15/42/53/1037154253.db2.gz MHEGZVNBRBNWJP-UHFFFAOYSA-N -1 3 308.740 3.815 20 0 DHADHM CC(C)CON=c1[n-]cncc1-c1ccc(Br)cc1 ZINC001186014932 1037289801 /nfs/dbraw/zinc/28/98/01/1037289801.db2.gz VEMOQKLSLMVMCI-UHFFFAOYSA-N -1 3 322.206 3.906 20 0 DHADHM O=C(C[C@H]1CCc2cc(F)ccc2C1)Nc1ccc(F)c([O-])c1 ZINC001186159476 1037329590 /nfs/dbraw/zinc/32/95/90/1037329590.db2.gz JSZSQDQNOLDQED-NSHDSACASA-N -1 3 317.335 3.804 20 0 DHADHM COc1ccc(CNC(=S)Nc2ccc(Cl)cc2[O-])cc1 ZINC000753901991 1037338424 /nfs/dbraw/zinc/33/84/24/1037338424.db2.gz LRZDOPSJXSDBFX-UHFFFAOYSA-N -1 3 322.817 3.541 20 0 DHADHM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000005060750 1037351274 /nfs/dbraw/zinc/35/12/74/1037351274.db2.gz IQIGJQMPEJUDIV-CYBMUJFWSA-N -1 3 312.365 3.945 20 0 DHADHM CCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194097520 1037362591 /nfs/dbraw/zinc/36/25/91/1037362591.db2.gz AKYLEKNGSZABBY-UHFFFAOYSA-N -1 3 306.412 3.888 20 0 DHADHM CCOC(=O)[C@H]1CC[C@H](Oc2c(Cl)ccc([O-])c2F)CC1 ZINC001234262740 1037364488 /nfs/dbraw/zinc/36/44/88/1037364488.db2.gz FWYFALRWYNXHTO-MGCOHNPYSA-N -1 3 316.756 3.685 20 0 DHADHM CC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1[O-] ZINC001186457625 1037421869 /nfs/dbraw/zinc/42/18/69/1037421869.db2.gz NUDIXLMTVCNOLN-MRXNPFEDSA-N -1 3 324.380 3.794 20 0 DHADHM O=C(Nc1ncc([O-])cc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC001186656293 1037463565 /nfs/dbraw/zinc/46/35/65/1037463565.db2.gz AGEKKZLTLWCROW-UHFFFAOYSA-N -1 3 321.808 3.531 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(-c3cccs3)on2)n1 ZINC000763210507 1037485763 /nfs/dbraw/zinc/48/57/63/1037485763.db2.gz BWWXTICIZNPQTK-UHFFFAOYSA-N -1 3 319.411 3.641 20 0 DHADHM COc1ccc(C)cc1CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000489633869 1037501028 /nfs/dbraw/zinc/50/10/28/1037501028.db2.gz CALLFCCMZFQFSP-GFCCVEGCSA-N -1 3 304.415 3.802 20 0 DHADHM CC1(CNC(=O)c2cc3sccc3c([O-])c2)CC(F)(F)C1 ZINC000914355376 1037581172 /nfs/dbraw/zinc/58/11/72/1037581172.db2.gz HLTKNHQWLXELOZ-UHFFFAOYSA-N -1 3 311.353 3.772 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1c(F)cccc1F ZINC000916046597 1037661445 /nfs/dbraw/zinc/66/14/45/1037661445.db2.gz VBBXUPMYCLWNAV-JTQLQIEISA-N -1 3 311.278 3.934 20 0 DHADHM Cc1ccc(Nc2cc(F)cc(C(=O)N(C)C)c2)c(Cl)c1[O-] ZINC001201526679 1037765962 /nfs/dbraw/zinc/76/59/62/1037765962.db2.gz KETBPDJWPWQJNR-UHFFFAOYSA-N -1 3 322.767 3.939 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC)c(C)c2)c1 ZINC000490669798 1037778264 /nfs/dbraw/zinc/77/82/64/1037778264.db2.gz FOUOFRPEINNOQR-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM Cc1cc(C)n(-c2ccccc2NCc2cc([O-])cc(F)c2)n1 ZINC000185611632 1037821481 /nfs/dbraw/zinc/82/14/81/1037821481.db2.gz SNDVHOWNTMKRMM-UHFFFAOYSA-N -1 3 311.360 3.946 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2cc(F)c(F)cc2F)no1 ZINC000185647282 1037826487 /nfs/dbraw/zinc/82/64/87/1037826487.db2.gz ZMJHJBWARQMVJS-UHFFFAOYSA-N -1 3 316.304 3.597 20 0 DHADHM CCCC1(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CCC1 ZINC001188174617 1037834142 /nfs/dbraw/zinc/83/41/42/1037834142.db2.gz JTPPRRCQGOMSFD-UHFFFAOYSA-N -1 3 321.895 3.959 20 0 DHADHM CCOc1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000916854011 1037996521 /nfs/dbraw/zinc/99/65/21/1037996521.db2.gz SYTABGKEBFSGMP-UHFFFAOYSA-N -1 3 312.325 3.596 20 0 DHADHM CCOc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000916854011 1037996525 /nfs/dbraw/zinc/99/65/25/1037996525.db2.gz SYTABGKEBFSGMP-UHFFFAOYSA-N -1 3 312.325 3.596 20 0 DHADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001189604939 1038173397 /nfs/dbraw/zinc/17/33/97/1038173397.db2.gz RHJRUAZWGWOSAE-ZJUUUORDSA-N -1 3 322.257 3.708 20 0 DHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc2c(c1)N=NC2 ZINC001189698677 1038193583 /nfs/dbraw/zinc/19/35/83/1038193583.db2.gz JWLNQSNFBFJWMX-UHFFFAOYSA-N -1 3 323.324 3.504 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OCc1ccccc1 ZINC000055689681 1038207320 /nfs/dbraw/zinc/20/73/20/1038207320.db2.gz QTXNLWUUKUBUAL-UHFFFAOYSA-N -1 3 320.392 3.862 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1csc(-c2cccs2)n1 ZINC001190574462 1038346162 /nfs/dbraw/zinc/34/61/62/1038346162.db2.gz CCMWWWCTUUKLPG-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2F)cc1 ZINC001191225010 1038471204 /nfs/dbraw/zinc/47/12/04/1038471204.db2.gz NOPCLXUJLPGZJK-UHFFFAOYSA-N -1 3 322.405 3.673 20 0 DHADHM Cc1cc(C)cc([C@@H]2CCN([C@H](C(=O)[O-])c3ccsc3)C2)c1 ZINC000572848751 1038512162 /nfs/dbraw/zinc/51/21/62/1038512162.db2.gz YGDCZTDNYNPPHX-PBHICJAKSA-N -1 3 315.438 3.980 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1ccccc1-c1ccco1 ZINC001191535322 1038515390 /nfs/dbraw/zinc/51/53/90/1038515390.db2.gz IHQMBZWPCLWCOC-UHFFFAOYSA-N -1 3 305.399 3.879 20 0 DHADHM Cc1cc(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001191740980 1038541734 /nfs/dbraw/zinc/54/17/34/1038541734.db2.gz YFYPLJFLKAZZHT-UHFFFAOYSA-N -1 3 318.764 3.665 20 0 DHADHM Cc1ccc(-c2cccc(C(=O)Nc3nc(C)ccc3[O-])n2)cc1 ZINC001192056562 1038584415 /nfs/dbraw/zinc/58/44/15/1038584415.db2.gz KREBDGWSUYTFFU-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC001192335667 1038628834 /nfs/dbraw/zinc/62/88/34/1038628834.db2.gz MCIJDSCJXZMWMV-GFCCVEGCSA-N -1 3 311.372 3.997 20 0 DHADHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000057570302 1038666680 /nfs/dbraw/zinc/66/66/80/1038666680.db2.gz WYZPEFKSMSSNKG-SNVBAGLBSA-N -1 3 306.749 3.805 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2ccccc2o1)c1cccs1 ZINC000037087773 1039128509 /nfs/dbraw/zinc/12/85/09/1039128509.db2.gz IYAXICNLPRSJIZ-CYBMUJFWSA-N -1 3 301.367 3.800 20 0 DHADHM CCc1ccc([C@@H](C)CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000606365110 1039846276 /nfs/dbraw/zinc/84/62/76/1039846276.db2.gz MWKLJILZUSQQOB-LBPRGKRZSA-N -1 3 324.384 3.759 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCCCC1 ZINC000606714862 1039961717 /nfs/dbraw/zinc/96/17/17/1039961717.db2.gz KBCXWEBVTQQWLF-INIZCTEOSA-N -1 3 320.408 3.786 20 0 DHADHM O=c1cc(CSCCOCc2ccccc2)nc(C2CC2)[n-]1 ZINC000596365897 1040419482 /nfs/dbraw/zinc/41/94/82/1040419482.db2.gz LIIILMQNCDLASD-UHFFFAOYSA-N -1 3 316.426 3.510 20 0 DHADHM CC1(C)C[C@H](SCc2cc(=O)[n-]c(-c3ccccc3)n2)CO1 ZINC000596365878 1040420476 /nfs/dbraw/zinc/42/04/76/1040420476.db2.gz LEZGZPKIQZIQPN-AWEZNQCLSA-N -1 3 316.426 3.650 20 0 DHADHM [O-]c1cc(CN2CCC3(CC(F)(F)C3)CC2)cc(F)c1F ZINC001232970781 1040960890 /nfs/dbraw/zinc/96/08/90/1040960890.db2.gz MYBQXRCZZMWWTE-UHFFFAOYSA-N -1 3 303.299 3.682 20 0 DHADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])C(=O)c1ccccc1 ZINC000602324258 1040967940 /nfs/dbraw/zinc/96/79/40/1040967940.db2.gz DNPWPVVICRFJRA-NSHDSACASA-N -1 3 317.772 3.893 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1[O-] ZINC000095572162 185380551 /nfs/dbraw/zinc/38/05/51/185380551.db2.gz CPQJEADHACKYMQ-JKIFEVAISA-N -1 3 305.418 3.808 20 0 DHADHM C[C@H](CCC[C@H](C)NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000417539612 334959058 /nfs/dbraw/zinc/95/90/58/334959058.db2.gz VVDHSWPXCJBYII-NEPJUHHUSA-N -1 3 312.479 3.810 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c([O-])c1C ZINC000079815193 191976162 /nfs/dbraw/zinc/97/61/62/191976162.db2.gz SBUOUBDWZXKPGB-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)c1 ZINC000006919647 181405693 /nfs/dbraw/zinc/40/56/93/181405693.db2.gz QPMDYCFDTQZBPN-UHFFFAOYSA-N -1 3 315.438 3.901 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CNC[C@@H](C)C(=O)[O-] ZINC000417580896 334998105 /nfs/dbraw/zinc/99/81/05/334998105.db2.gz FACIJPSNHDPNBY-SNVBAGLBSA-N -1 3 301.839 3.651 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000417584862 335000238 /nfs/dbraw/zinc/00/02/38/335000238.db2.gz OIZFNXDVENQLFX-DRHNTUNPSA-N -1 3 323.820 3.692 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1coc2ccccc12)C(=O)[O-] ZINC000417621307 335017528 /nfs/dbraw/zinc/01/75/28/335017528.db2.gz FDFSMHGEFRRQTB-OAHLLOKOSA-N -1 3 319.426 3.675 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(C3CC3)cc2)c2ccccc21 ZINC000417629969 335018852 /nfs/dbraw/zinc/01/88/52/335018852.db2.gz QOFFEVMIMQTGHN-OALUTQOASA-N -1 3 307.393 3.967 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000019787878 182148214 /nfs/dbraw/zinc/14/82/14/182148214.db2.gz FNBWEMKBJPGWLW-CQSZACIVSA-N -1 3 310.180 3.909 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000417636806 335021572 /nfs/dbraw/zinc/02/15/72/335021572.db2.gz YJJGRYAYEBVXJY-VQTJNVASSA-N -1 3 321.420 3.968 20 0 DHADHM C[C@@H]([C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-])C1CC1 ZINC000417639188 335022664 /nfs/dbraw/zinc/02/26/64/335022664.db2.gz LNOMLRRZGWFIJA-LDWIPMOCSA-N -1 3 308.230 3.644 20 0 DHADHM C[C@@H](CC(C)(C)NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000417640196 335025736 /nfs/dbraw/zinc/02/57/36/335025736.db2.gz WRACNEFEGZUSAC-JTQLQIEISA-N -1 3 324.471 3.851 20 0 DHADHM COc1ccc(C(=O)N(Cc2cccs2)C(C)C)c([O-])c1 ZINC000042355790 183257041 /nfs/dbraw/zinc/25/70/41/183257041.db2.gz FZFKJXDNBOEEPG-UHFFFAOYSA-N -1 3 305.399 3.513 20 0 DHADHM COc1ccc([O-])c(C(=O)N(Cc2cccs2)C(C)C)c1 ZINC000043334167 183356241 /nfs/dbraw/zinc/35/62/41/183356241.db2.gz MBYSHESHTQFGNM-UHFFFAOYSA-N -1 3 305.399 3.513 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccsc1 ZINC000442930994 338439773 /nfs/dbraw/zinc/43/97/73/338439773.db2.gz JEPXZJQFDCKLET-UHFFFAOYSA-N -1 3 303.261 3.605 20 0 DHADHM Clc1cc2cc(-c3nc(-c4ccccn4)no3)[n-]c2s1 ZINC000353802125 335049737 /nfs/dbraw/zinc/04/97/37/335049737.db2.gz APSANOLYIHGNQF-UHFFFAOYSA-N -1 3 302.746 3.995 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000271789655 129960624 /nfs/dbraw/zinc/96/06/24/129960624.db2.gz JXIPUHPFPISWIM-UHFFFAOYSA-N -1 3 301.346 3.701 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000271789655 129960626 /nfs/dbraw/zinc/96/06/26/129960626.db2.gz JXIPUHPFPISWIM-UHFFFAOYSA-N -1 3 301.346 3.701 20 0 DHADHM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(C)cc2)s1 ZINC000272360169 130022631 /nfs/dbraw/zinc/02/26/31/130022631.db2.gz BSIHSUUPTMKIPF-LLVKDONJSA-N -1 3 310.369 3.729 20 0 DHADHM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1[O-] ZINC000272594461 130044954 /nfs/dbraw/zinc/04/49/54/130044954.db2.gz JBNYUYHGOOUHQM-TZMCWYRMSA-N -1 3 315.369 3.607 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)on2)c2c([O-])cccc21 ZINC000274356638 130228720 /nfs/dbraw/zinc/22/87/20/130228720.db2.gz JUNOVIRTJVHPSE-LLVKDONJSA-N -1 3 314.385 3.832 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000283728472 131017033 /nfs/dbraw/zinc/01/70/33/131017033.db2.gz YZJJOEVHHFJBBU-MUJYYYPQSA-N -1 3 323.392 3.649 20 0 DHADHM CCO[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])C(C)C ZINC000340312595 131374605 /nfs/dbraw/zinc/37/46/05/131374605.db2.gz PFVVYPSGSZYXOV-ZDUSSCGKSA-N -1 3 319.323 3.801 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(Cl)cn1 ZINC000340315337 131384668 /nfs/dbraw/zinc/38/46/68/131384668.db2.gz ZUXGQSGBVQYRFS-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cncs1 ZINC000289495387 131390405 /nfs/dbraw/zinc/39/04/05/131390405.db2.gz SEHMRQCORACDQW-UHFFFAOYSA-N -1 3 322.411 3.511 20 0 DHADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1Oc1cccnc1 ZINC000292590946 131661029 /nfs/dbraw/zinc/66/10/29/131661029.db2.gz KJUYFMBMELHESD-UHFFFAOYSA-N -1 3 313.357 3.645 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1[O-] ZINC000297040497 131997613 /nfs/dbraw/zinc/99/76/13/131997613.db2.gz UVYVIALKRREMBT-PWSUYJOCSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ncsc1CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000298056787 132045359 /nfs/dbraw/zinc/04/53/59/132045359.db2.gz HNAVHALORRPBDB-UHFFFAOYSA-N -1 3 310.806 3.690 20 0 DHADHM COc1cccc(C(=O)N([C@H](C)c2ccccc2)C2CC2)c1[O-] ZINC000298436698 132062460 /nfs/dbraw/zinc/06/24/60/132062460.db2.gz YHAQCMZZWMIUPZ-CYBMUJFWSA-N -1 3 311.381 3.767 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2cccnc2)cc(Cl)c1[O-] ZINC000299257352 132095926 /nfs/dbraw/zinc/09/59/26/132095926.db2.gz HTDGCJGBOMTIEV-NSHDSACASA-N -1 3 306.793 3.690 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC(OC3CCCCC3)CC2)c1 ZINC000299487020 132107820 /nfs/dbraw/zinc/10/78/20/132107820.db2.gz BYDUJRVCEBINCD-UHFFFAOYSA-N -1 3 317.429 3.655 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(Oc2ccccc2)o1 ZINC000417701979 335065467 /nfs/dbraw/zinc/06/54/67/335065467.db2.gz JYPVFCBVRFEALF-INIZCTEOSA-N -1 3 315.369 3.805 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(Oc2ccccc2)o1 ZINC000417701980 335065509 /nfs/dbraw/zinc/06/55/09/335065509.db2.gz JYPVFCBVRFEALF-MRXNPFEDSA-N -1 3 315.369 3.805 20 0 DHADHM CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000570572234 332774020 /nfs/dbraw/zinc/77/40/20/332774020.db2.gz PVOQCKXOQKYXBG-SECBINFHSA-N -1 3 303.280 3.512 20 0 DHADHM O=C([O-])c1sccc1CN1CCC(c2ccccc2)CC1 ZINC000570851545 332829279 /nfs/dbraw/zinc/82/92/79/332829279.db2.gz JJMYXIHABXOEGU-UHFFFAOYSA-N -1 3 301.411 3.826 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000174650677 332860800 /nfs/dbraw/zinc/86/08/00/332860800.db2.gz XFGIVKUFNMKWGX-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1conc1[N-]C(=O)c1cc2cc(Br)ccc2o1 ZINC000123499323 331468449 /nfs/dbraw/zinc/46/84/49/331468449.db2.gz NYYZLAAZMXFIAD-UHFFFAOYSA-N -1 3 321.130 3.744 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccccc1OC(F)F ZINC000179554482 331527399 /nfs/dbraw/zinc/52/73/99/331527399.db2.gz ALDVXTWPRMNDKO-MDZDMXLPSA-N -1 3 319.307 3.954 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cccc([O-])c1 ZINC000182939639 331566607 /nfs/dbraw/zinc/56/66/07/331566607.db2.gz NIPVYHVOARTDNY-UHFFFAOYSA-N -1 3 319.360 3.941 20 0 DHADHM CCCOc1ccc(CCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000530657836 331616022 /nfs/dbraw/zinc/61/60/22/331616022.db2.gz BHBHGKSTHZLRNH-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM O=C(C/C=C\c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000255081415 331700560 /nfs/dbraw/zinc/70/05/60/331700560.db2.gz PMSKTYBWDFNPHS-RJRFIUFISA-N -1 3 311.356 3.914 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H](c2ccccc2)C2CC2)c1F ZINC000556883737 331748283 /nfs/dbraw/zinc/74/82/83/331748283.db2.gz WXPDUCYXCYGSDX-CQSZACIVSA-N -1 3 303.352 3.954 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1[O-] ZINC000556892496 331750438 /nfs/dbraw/zinc/75/04/38/331750438.db2.gz KFEYAWRSUQWNSO-UHFFFAOYSA-N -1 3 321.735 3.569 20 0 DHADHM CCc1coc([N-]C(=O)c2ncoc2-c2ccccc2Cl)n1 ZINC000557386420 331786941 /nfs/dbraw/zinc/78/69/41/331786941.db2.gz JAALKJRQBXHCLS-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)c1 ZINC000557737392 331812822 /nfs/dbraw/zinc/81/28/22/331812822.db2.gz WMOOYTDXILXRRI-CXAGYDPISA-N -1 3 311.381 3.624 20 0 DHADHM Cc1ccc2c(CSCC(=O)OC(C)(C)C)ccc([O-])c2n1 ZINC000558687152 331935208 /nfs/dbraw/zinc/93/52/08/331935208.db2.gz IJJYOYXNMPAAEM-UHFFFAOYSA-N -1 3 319.426 3.824 20 0 DHADHM CCCc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426773572 331995266 /nfs/dbraw/zinc/99/52/66/331995266.db2.gz KIUFMEFYUMLKLN-KRWDZBQOSA-N -1 3 301.361 3.694 20 0 DHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCCC1)c1cccs1 ZINC000520027865 332021377 /nfs/dbraw/zinc/02/13/77/332021377.db2.gz SXIFWGPGFWHHQJ-MRXNPFEDSA-N -1 3 321.467 3.958 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnc(C)c(Cl)c1Cl ZINC000089447483 332069295 /nfs/dbraw/zinc/06/92/95/332069295.db2.gz NTXBXDQDXVJEJK-UHFFFAOYSA-N -1 3 314.172 3.808 20 0 DHADHM O=C([O-])c1occc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000569492632 332102155 /nfs/dbraw/zinc/10/21/55/332102155.db2.gz OIHUDMCUBWLDCQ-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM COc1cccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c1[O-] ZINC000092518961 332127896 /nfs/dbraw/zinc/12/78/96/332127896.db2.gz JWAXXEFLBNRFHE-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM CC(C)CCn1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000559366921 332133131 /nfs/dbraw/zinc/13/31/31/332133131.db2.gz SOHXDYDHJYRGRR-UHFFFAOYSA-N -1 3 307.781 3.541 20 0 DHADHM Cc1noc([N-]C(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C ZINC000410525801 332148962 /nfs/dbraw/zinc/14/89/62/332148962.db2.gz MYWANQUGWZXOKV-KCPJHIHWSA-N -1 3 308.422 3.707 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(-c2cccnc2)c1)c1ccccc1 ZINC000426810947 332153076 /nfs/dbraw/zinc/15/30/76/332153076.db2.gz KFNZRDYCNCBMOS-LJQANCHMSA-N -1 3 318.376 3.664 20 0 DHADHM CCc1ccc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000426793097 332154272 /nfs/dbraw/zinc/15/42/72/332154272.db2.gz LZZZGWGHDRWFHM-INIZCTEOSA-N -1 3 303.789 3.818 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000426795882 332154490 /nfs/dbraw/zinc/15/44/90/332154490.db2.gz ZBQCIJJMPVSCRD-MRXNPFEDSA-N -1 3 321.779 3.957 20 0 DHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2C)c1 ZINC000426801091 332155053 /nfs/dbraw/zinc/15/50/53/332155053.db2.gz QAVHFQXLVGBYSB-SFHVURJKSA-N -1 3 313.397 3.618 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(SC)cc2)C(=O)[O-])cc1 ZINC000426802934 332155426 /nfs/dbraw/zinc/15/54/26/332155426.db2.gz YXFNCDCWZDBWIW-KRWDZBQOSA-N -1 3 315.438 3.886 20 0 DHADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426813427 332157095 /nfs/dbraw/zinc/15/70/95/332157095.db2.gz XDCDLIWUNGZMQS-MRXNPFEDSA-N -1 3 303.789 3.954 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000426817990 332157596 /nfs/dbraw/zinc/15/75/96/332157596.db2.gz QPVPGVLQZDQIFU-SFHVURJKSA-N -1 3 309.340 3.894 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000426993472 332164839 /nfs/dbraw/zinc/16/48/39/332164839.db2.gz WFFDCOYCRTXGMO-RKDXNWHRSA-N -1 3 311.765 3.988 20 0 DHADHM Cc1cccc(C)c1OCCC(=O)Nc1cccc([O-])c1F ZINC000536462347 332249547 /nfs/dbraw/zinc/24/95/47/332249547.db2.gz HTJOPKGLXKOVHH-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM Cc1ccc2c(CN3CCCC[C@@H]3c3cc[nH]n3)ccc([O-])c2n1 ZINC000560468593 332343224 /nfs/dbraw/zinc/34/32/24/332343224.db2.gz GSAHYCBKVNXESO-QGZVFWFLSA-N -1 3 322.412 3.699 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccnc(OC2CCC2)c1 ZINC000560819915 332388397 /nfs/dbraw/zinc/38/83/97/332388397.db2.gz LLRVHEKQVHJISV-UHFFFAOYSA-N -1 3 318.760 3.624 20 0 DHADHM COc1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1F ZINC000560819606 332388450 /nfs/dbraw/zinc/38/84/50/332388450.db2.gz GPVVJXDEWIFULZ-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM C=Cc1ccc(CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000560890752 332392050 /nfs/dbraw/zinc/39/20/50/332392050.db2.gz SDSOQWNTRMZEIR-UHFFFAOYSA-N -1 3 301.773 3.661 20 0 DHADHM CSC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCC1 ZINC000427502148 332439228 /nfs/dbraw/zinc/43/92/28/332439228.db2.gz NTZPVZMZUANRIK-UHFFFAOYSA-N -1 3 321.320 3.515 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cncc(F)c1 ZINC000150972076 332466029 /nfs/dbraw/zinc/46/60/29/332466029.db2.gz ZEGCPSPSKFDNIE-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000562344079 332581769 /nfs/dbraw/zinc/58/17/69/332581769.db2.gz SSTXZOVOSBXNEF-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000562510817 332599302 /nfs/dbraw/zinc/59/93/02/332599302.db2.gz GFTBDLVFCOWKAZ-UHFFFAOYSA-N -1 3 315.388 3.821 20 0 DHADHM O=C(c1ccc2ncccc2c1)N1CCCc2cccc([O-])c21 ZINC000170873067 332638659 /nfs/dbraw/zinc/63/86/59/332638659.db2.gz WLWSHSQWTSXDJC-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM [O-]c1cccnc1CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000584318405 332670159 /nfs/dbraw/zinc/67/01/59/332670159.db2.gz HSTRHLOPCJWPCG-HNNXBMFYSA-N -1 3 310.422 3.922 20 0 DHADHM O=C([O-])C1(CNCc2ncc(-c3ccccc3)s2)CCCC1 ZINC000570263131 332732331 /nfs/dbraw/zinc/73/23/31/332732331.db2.gz MIZVJDKUHSGLEW-UHFFFAOYSA-N -1 3 316.426 3.545 20 0 DHADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)c2ccccc21 ZINC000462515922 332963280 /nfs/dbraw/zinc/96/32/80/332963280.db2.gz VYTGJAUMSWZRBE-JTQLQIEISA-N -1 3 323.787 3.706 20 0 DHADHM CCc1cc(=O)[n-]c(CSC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000466734845 333080995 /nfs/dbraw/zinc/08/09/95/333080995.db2.gz HKFBVYZBRITCQK-CQSZACIVSA-N -1 3 322.474 3.860 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000107270982 333166685 /nfs/dbraw/zinc/16/66/85/333166685.db2.gz QJFDTFJMCSREGG-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1scnc1C1CCCC1 ZINC000185263133 333206389 /nfs/dbraw/zinc/20/63/89/333206389.db2.gz RUINMPJVKBKRKQ-UHFFFAOYSA-N -1 3 305.403 3.912 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2CC(C)C)c1 ZINC000525778230 333294734 /nfs/dbraw/zinc/29/47/34/333294734.db2.gz GQGBRSYJWVTGMG-CQSZACIVSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000497939410 333312186 /nfs/dbraw/zinc/31/21/86/333312186.db2.gz PRJMYAMEIJOJCO-SNVBAGLBSA-N -1 3 323.792 3.505 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000531198689 333330968 /nfs/dbraw/zinc/33/09/68/333330968.db2.gz JVFMBBBMWRCNBY-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c([O-])c1 ZINC000123925449 333337589 /nfs/dbraw/zinc/33/75/89/333337589.db2.gz DWRLLHNKRCFZRL-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc3ccccc3o2)c1 ZINC000531311232 333343396 /nfs/dbraw/zinc/34/33/96/333343396.db2.gz WCWXNFOXFADDCH-UHFFFAOYSA-N -1 3 309.365 3.973 20 0 DHADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531419711 333350641 /nfs/dbraw/zinc/35/06/41/333350641.db2.gz NXCVXCJVZKYNAL-LLVKDONJSA-N -1 3 303.333 3.961 20 0 DHADHM COc1ccc(C2(NC(=O)c3cccc([O-])c3)CCCC2)cc1 ZINC000182284783 333355780 /nfs/dbraw/zinc/35/57/80/333355780.db2.gz DYIWMOIWIWJJIP-UHFFFAOYSA-N -1 3 311.381 3.600 20 0 DHADHM C[C@@H]1CCN(C(=O)c2scnc2C2CC2)c2c([O-])cccc21 ZINC000186297613 333372207 /nfs/dbraw/zinc/37/22/07/333372207.db2.gz KRGGQOFZIZMEFS-SNVBAGLBSA-N -1 3 314.410 3.880 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CSc2ccncc2)c([O-])c1 ZINC000337674486 333457211 /nfs/dbraw/zinc/45/72/11/333457211.db2.gz ZJGZPBVHLLUIJM-UHFFFAOYSA-N -1 3 316.426 3.816 20 0 DHADHM CC(C)c1ncsc1[N-]C(=O)c1scnc1C(F)(F)F ZINC000411076474 333628268 /nfs/dbraw/zinc/62/82/68/333628268.db2.gz XJNSKZYDJDOPEP-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000412763936 333795545 /nfs/dbraw/zinc/79/55/45/333795545.db2.gz GUVCPTDGYMSWFP-SECBINFHSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@H]1CCN(C(=O)[C@H]2CCc3ccccc3O2)c2c([O-])cccc21 ZINC000413711787 333868171 /nfs/dbraw/zinc/86/81/71/333868171.db2.gz KLIIZTAFBMNDIS-SCLBCKFNSA-N -1 3 323.392 3.626 20 0 DHADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000414379756 333954147 /nfs/dbraw/zinc/95/41/47/333954147.db2.gz DPSTXHKAMCHDAQ-UHFFFAOYSA-N -1 3 319.426 3.520 20 0 DHADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436904043 334016135 /nfs/dbraw/zinc/01/61/35/334016135.db2.gz PIPJVXINCWTBGQ-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM CC(C)C[C@H](N)c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000414621685 334044342 /nfs/dbraw/zinc/04/43/42/334044342.db2.gz RUPSORNPCREPNQ-NSHDSACASA-N -1 3 315.295 3.507 20 0 DHADHM O=C([O-])c1cccc(CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000414634010 334048603 /nfs/dbraw/zinc/04/86/03/334048603.db2.gz ANUMJBGYWLDUHR-LBPRGKRZSA-N -1 3 307.802 3.877 20 0 DHADHM CCc1ccc(-c2ccc(CN3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000414673307 334065829 /nfs/dbraw/zinc/06/58/29/334065829.db2.gz DBQNDXXFMOFBMZ-INIZCTEOSA-N -1 3 313.397 3.806 20 0 DHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000414679748 334067146 /nfs/dbraw/zinc/06/71/46/334067146.db2.gz KNWBFBPIHCPREB-MRVPVSSYSA-N -1 3 308.180 3.818 20 0 DHADHM CCc1c(NC(=O)c2cccc(C)c2[O-])onc1C(F)(F)F ZINC000276612848 334083759 /nfs/dbraw/zinc/08/37/59/334083759.db2.gz MZXZIILEUGUIBU-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM Cc1c([N-]c2nc3cc(F)ccc3o2)cnn1C1CCOCC1 ZINC000295052790 334216055 /nfs/dbraw/zinc/21/60/55/334216055.db2.gz YHFDSVIYKCFKHR-UHFFFAOYSA-N -1 3 316.336 3.567 20 0 DHADHM Cc1ccc(C)n1C1CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000299529009 334255981 /nfs/dbraw/zinc/25/59/81/334255981.db2.gz MTJIJRKBYYYUPM-UHFFFAOYSA-N -1 3 312.413 3.596 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3[O-])n[nH]2)c(C)c1 ZINC000187494464 334264404 /nfs/dbraw/zinc/26/44/04/334264404.db2.gz AKDVIPLWASRYGB-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM Cc1ccccc1-c1cnc(C[S@](=O)c2ccc([O-])cc2)o1 ZINC000534527891 334278912 /nfs/dbraw/zinc/27/89/12/334278912.db2.gz ZOPPPOYGVXIHTI-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000048447720 334290290 /nfs/dbraw/zinc/29/02/90/334290290.db2.gz YJYLYYCULHYFCV-RYUDHWBXSA-N -1 3 301.477 3.631 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cnc(CC)s2)s1 ZINC000049156244 334322559 /nfs/dbraw/zinc/32/25/59/334322559.db2.gz SRFBAKJAUNNZIL-UHFFFAOYSA-N -1 3 310.448 3.542 20 0 DHADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1c(Cl)cccc1Cl ZINC000049282562 334324565 /nfs/dbraw/zinc/32/45/65/334324565.db2.gz KFWWIZSJFPFCAT-SNVBAGLBSA-N -1 3 320.241 3.628 20 0 DHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000340871965 334392022 /nfs/dbraw/zinc/39/20/22/334392022.db2.gz NRMBFRLWIFMCFE-HXUWFJFHSA-N -1 3 309.409 3.976 20 0 DHADHM COC(=O)c1ccc(C(C)C)c(NCc2nc(C)ccc2[O-])c1 ZINC000342184158 334515462 /nfs/dbraw/zinc/51/54/62/334515462.db2.gz QNLXGGISJHRDTM-UHFFFAOYSA-N -1 3 314.385 3.618 20 0 DHADHM O=C(CC(F)(F)F)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000342798271 334572671 /nfs/dbraw/zinc/57/26/71/334572671.db2.gz UBGPKSBEJWBCBD-LLVKDONJSA-N -1 3 324.224 3.840 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cccs1 ZINC000443563015 338454881 /nfs/dbraw/zinc/45/48/81/338454881.db2.gz XMCQAJVTUHTCGP-UHFFFAOYSA-N -1 3 303.261 3.605 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cc3ccccn3c2)c1[O-] ZINC000535420731 334731445 /nfs/dbraw/zinc/73/14/45/334731445.db2.gz IAZOBKZRERXHSL-UHFFFAOYSA-N -1 3 300.745 3.859 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc([O-])cc2F)nn1C(C)(C)C ZINC000124275655 334741877 /nfs/dbraw/zinc/74/18/77/334741877.db2.gz VCSYQXBDKSGSEU-UHFFFAOYSA-N -1 3 319.380 3.859 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000189231479 334886700 /nfs/dbraw/zinc/88/67/00/334886700.db2.gz GFACLIRDXZPHID-UHFFFAOYSA-N -1 3 323.314 3.644 20 0 DHADHM CCC(CC)[C@H](CCNC(=O)c1cc([O-])ccc1Cl)OC ZINC000343276701 334902132 /nfs/dbraw/zinc/90/21/32/334902132.db2.gz BZCYPNNDPJDVFS-HNNXBMFYSA-N -1 3 313.825 3.617 20 0 DHADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000444245480 338470307 /nfs/dbraw/zinc/47/03/07/338470307.db2.gz JRTVEXJFXPRZBP-GXSJLCMTSA-N -1 3 309.793 3.626 20 0 DHADHM O=C(Nc1cncc(F)c1)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000343790619 335193101 /nfs/dbraw/zinc/19/31/01/335193101.db2.gz BZZZWROMYFVEEV-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM CO[C@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000343900940 335204429 /nfs/dbraw/zinc/20/44/29/335204429.db2.gz XRAMQJRGRXGVEP-ONGXEEELSA-N -1 3 317.307 3.555 20 0 DHADHM Cc1ccc(F)c(CN(C)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000444448339 338472999 /nfs/dbraw/zinc/47/29/99/338472999.db2.gz WUYLNHFMEXCIHJ-UHFFFAOYSA-N -1 3 301.361 3.729 20 0 DHADHM COc1cc(C(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)on1 ZINC000344665321 335270103 /nfs/dbraw/zinc/27/01/03/335270103.db2.gz LZYKZRXWEFAOOL-UHFFFAOYSA-N -1 3 320.654 3.608 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3cccc4ccsc43)[n-]2)o1 ZINC000345328500 335317779 /nfs/dbraw/zinc/31/77/79/335317779.db2.gz MNJPENHIUBRSBE-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc4ccsc43)n2)o1 ZINC000345328500 335317781 /nfs/dbraw/zinc/31/77/81/335317781.db2.gz MNJPENHIUBRSBE-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc4ccsc43)n[n-]2)o1 ZINC000345328500 335317782 /nfs/dbraw/zinc/31/77/82/335317782.db2.gz MNJPENHIUBRSBE-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM O=c1nc(-c2ccncn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000345373904 335325640 /nfs/dbraw/zinc/32/56/40/335325640.db2.gz RATKKXSEXSRTBW-UHFFFAOYSA-N -1 3 306.350 3.521 20 0 DHADHM O=C([N-]c1ccc(Cl)cc1F)c1nc2cccnc2s1 ZINC000345636048 335338509 /nfs/dbraw/zinc/33/85/09/335338509.db2.gz VUNVIYMRTOPLEN-UHFFFAOYSA-N -1 3 307.737 3.736 20 0 DHADHM Cc1sccc1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000345850749 335355621 /nfs/dbraw/zinc/35/56/21/335355621.db2.gz JEZRVMTTZSOJDP-UHFFFAOYSA-N -1 3 315.316 3.962 20 0 DHADHM COc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)cc1 ZINC000345937673 335362373 /nfs/dbraw/zinc/36/23/73/335362373.db2.gz RIKIIDIPONWTNG-UHFFFAOYSA-N -1 3 322.324 3.704 20 0 DHADHM COc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000345937673 335362375 /nfs/dbraw/zinc/36/23/75/335362375.db2.gz RIKIIDIPONWTNG-UHFFFAOYSA-N -1 3 322.324 3.704 20 0 DHADHM COC(=O)c1ccc(C(C)C)c(NC(=O)c2cccc([O-])c2)c1 ZINC000346127949 335377011 /nfs/dbraw/zinc/37/70/11/335377011.db2.gz WCRBVHQPZXXVEF-UHFFFAOYSA-N -1 3 313.353 3.555 20 0 DHADHM COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[O-] ZINC000347367703 335490983 /nfs/dbraw/zinc/49/09/83/335490983.db2.gz GKNNUNBYRGUAQL-LLVKDONJSA-N -1 3 311.337 3.638 20 0 DHADHM CCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)CC ZINC000347437834 335496572 /nfs/dbraw/zinc/49/65/72/335496572.db2.gz LCBAUXSXPRDKSG-CYBMUJFWSA-N -1 3 300.402 3.569 20 0 DHADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc([O-])cc(F)c1 ZINC000349083230 335633778 /nfs/dbraw/zinc/63/37/78/335633778.db2.gz NTPHPOWKLUGSTO-HNNXBMFYSA-N -1 3 320.751 3.771 20 0 DHADHM CC(C)c1ccc(-c2nc(-c3cnc4ccccn43)no2)c([O-])c1 ZINC000445580406 338501007 /nfs/dbraw/zinc/50/10/07/338501007.db2.gz QWLNFWWENRRLIY-UHFFFAOYSA-N -1 3 320.352 3.880 20 0 DHADHM [O-]c1ccc(CNc2ccnc(Cc3ccccc3)n2)cc1F ZINC000166795135 335846243 /nfs/dbraw/zinc/84/62/43/335846243.db2.gz PQEJTXLSCSVKAD-UHFFFAOYSA-N -1 3 309.344 3.524 20 0 DHADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922121 335888619 /nfs/dbraw/zinc/88/86/19/335888619.db2.gz AEEFMIMAXZDZDE-IUCAKERBSA-N -1 3 305.296 3.912 20 0 DHADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cc(Cl)ccc1Cl ZINC000351266875 336024786 /nfs/dbraw/zinc/02/47/86/336024786.db2.gz GLOMHNQPLRPGCZ-LURJTMIESA-N -1 3 317.197 3.647 20 0 DHADHM Cc1c2nc([N-]C(=O)c3ncc(F)cc3F)sc2ccc1F ZINC000192384923 336030358 /nfs/dbraw/zinc/03/03/58/336030358.db2.gz HQQBZFHKBPHFGR-UHFFFAOYSA-N -1 3 323.299 3.669 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000351778140 336068504 /nfs/dbraw/zinc/06/85/04/336068504.db2.gz HIOHJEVLEIZWSM-GJZGRUSLSA-N -1 3 309.837 3.825 20 0 DHADHM C[C@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)c2c([O-])cccc21 ZINC000329825040 336087003 /nfs/dbraw/zinc/08/70/03/336087003.db2.gz IBSNXWNURCZJPJ-STQMWFEESA-N -1 3 316.401 3.522 20 0 DHADHM C[C@H]1C[C@@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)CCO1 ZINC000331409740 336135027 /nfs/dbraw/zinc/13/50/27/336135027.db2.gz UWIOTKMYOYFARA-BQBZGAKWSA-N -1 3 318.320 3.698 20 0 DHADHM CCN(C(=O)c1cccc2nn[n-]c21)c1cccc2ccccc21 ZINC000526113542 336166810 /nfs/dbraw/zinc/16/68/10/336166810.db2.gz LYWZRDJHAZMWKQ-UHFFFAOYSA-N -1 3 316.364 3.778 20 0 DHADHM CCN(C(=O)c1cccc2[n-]nnc21)c1cccc2ccccc21 ZINC000526113542 336166812 /nfs/dbraw/zinc/16/68/12/336166812.db2.gz LYWZRDJHAZMWKQ-UHFFFAOYSA-N -1 3 316.364 3.778 20 0 DHADHM CCN(C(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000526113542 336166814 /nfs/dbraw/zinc/16/68/14/336166814.db2.gz LYWZRDJHAZMWKQ-UHFFFAOYSA-N -1 3 316.364 3.778 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1coc(C2CCCCC2)n1 ZINC000332670297 336178375 /nfs/dbraw/zinc/17/83/75/336178375.db2.gz QGWAOVYRSIPHNA-UHFFFAOYSA-N -1 3 304.321 3.819 20 0 DHADHM [O-]c1ccc(F)c(CNc2cccc(-c3ncco3)c2)c1F ZINC000351960052 336183349 /nfs/dbraw/zinc/18/33/49/336183349.db2.gz RZUJODFORCHBQD-UHFFFAOYSA-N -1 3 302.280 3.938 20 0 DHADHM COc1cccc(C2=CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000351995460 336186667 /nfs/dbraw/zinc/18/66/67/336186667.db2.gz KKWJHRYWSWNOBC-UHFFFAOYSA-N -1 3 313.372 3.829 20 0 DHADHM CCO[C@@H](C)c1nc(CN(C)Cc2cc([O-])cc(F)c2)cs1 ZINC000352005080 336188003 /nfs/dbraw/zinc/18/80/03/336188003.db2.gz XTZDDCCMSLZEAX-NSHDSACASA-N -1 3 324.421 3.717 20 0 DHADHM O=c1cc(C=Cc2ccnn2-c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000352029520 336190543 /nfs/dbraw/zinc/19/05/43/336190543.db2.gz ZWFSEXCOTUJYDX-VMPITWQZSA-N -1 3 322.343 3.555 20 0 DHADHM CC[C@@H]1CCc2nc([N-]C(=O)c3cc(C4CC4)no3)sc2C1 ZINC000333115621 336198104 /nfs/dbraw/zinc/19/81/04/336198104.db2.gz YPUCUBXGNLVZCA-SECBINFHSA-N -1 3 317.414 3.776 20 0 DHADHM O=C(NCCCC1CCCCC1)c1c[n-]nc1-c1ccccn1 ZINC000352480092 336221183 /nfs/dbraw/zinc/22/11/83/336221183.db2.gz IFBYACGXGHSNNT-UHFFFAOYSA-N -1 3 312.417 3.562 20 0 DHADHM COc1cc(Cl)c(C(=O)Nc2c(C)cccc2[O-])cc1OC ZINC000352643064 336228277 /nfs/dbraw/zinc/22/82/77/336228277.db2.gz HZDIXDDMQKARAJ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCO[C@H](C)c1ncc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000352644269 336228390 /nfs/dbraw/zinc/22/83/90/336228390.db2.gz MNFYGQHJWXZDDE-SNVBAGLBSA-N -1 3 306.387 3.507 20 0 DHADHM O=C(C/C=C\c1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000352666444 336229464 /nfs/dbraw/zinc/22/94/64/336229464.db2.gz WFGXLRSAMMKOEO-DAXSKMNVSA-N -1 3 311.356 3.914 20 0 DHADHM CCO[C@H](CC(=O)N1CCCc2cccc([O-])c21)C1=CCCC1 ZINC000352664276 336229528 /nfs/dbraw/zinc/22/95/28/336229528.db2.gz LRKBVDBGMGHKRR-QGZVFWFLSA-N -1 3 315.413 3.577 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1cc(F)ccc1Cl ZINC000103057715 336237447 /nfs/dbraw/zinc/23/74/47/336237447.db2.gz RPARYJONICEJQQ-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM CC(=O)Nc1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000352819367 336254811 /nfs/dbraw/zinc/25/48/11/336254811.db2.gz AUSDKOHFAWYZGV-UHFFFAOYSA-N -1 3 324.302 3.982 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000192723172 336259331 /nfs/dbraw/zinc/25/93/31/336259331.db2.gz GIGAMMNXQXRVSX-KGLIPLIRSA-N -1 3 311.429 3.781 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000192723126 336259385 /nfs/dbraw/zinc/25/93/85/336259385.db2.gz GIGAMMNXQXRVSX-UONOGXRCSA-N -1 3 311.429 3.781 20 0 DHADHM Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000104826492 336270597 /nfs/dbraw/zinc/27/05/97/336270597.db2.gz QQXDDHLBHVBTRX-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM COc1cccc(C)c1NC(=O)Cc1ccc([O-])cc1Cl ZINC000192942875 336285521 /nfs/dbraw/zinc/28/55/21/336285521.db2.gz VABQKRXDHYQKMV-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM CC(C)c1noc([N-][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000301722444 336325637 /nfs/dbraw/zinc/32/56/37/336325637.db2.gz KJCGGPQXKQNBEG-OAHLLOKOSA-N -1 3 317.389 3.773 20 0 DHADHM CC(=O)c1ccc(C[N-]c2nc(-c3ccc(C)cc3)no2)nc1C ZINC000302085200 336347864 /nfs/dbraw/zinc/34/78/64/336347864.db2.gz ZAYYRFPGPGJFQZ-UHFFFAOYSA-N -1 3 322.368 3.563 20 0 DHADHM Cc1cc(Cc2noc(-c3cc4cc(Cl)sc4[n-]3)n2)no1 ZINC000353824735 336442763 /nfs/dbraw/zinc/44/27/63/336442763.db2.gz YCCSGTOAIRPWJG-UHFFFAOYSA-N -1 3 320.761 3.820 20 0 DHADHM Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)ccc1[O-] ZINC000354381266 336468820 /nfs/dbraw/zinc/46/88/20/336468820.db2.gz FGFQIEHFGLTGIY-QGZVFWFLSA-N -1 3 312.413 3.797 20 0 DHADHM [O-]c1cc(CN2CC3(CCC3(F)F)C2)cc(C(F)(F)F)c1 ZINC000356536148 336553764 /nfs/dbraw/zinc/55/37/64/336553764.db2.gz YHBRSRJQSJDXGK-UHFFFAOYSA-N -1 3 307.262 3.642 20 0 DHADHM C[C@@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000357155618 336575227 /nfs/dbraw/zinc/57/52/27/336575227.db2.gz XXSZTPSMLBEFAJ-ZJUUUORDSA-N -1 3 301.308 3.672 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H]1c1ccccc1 ZINC000357257454 336578275 /nfs/dbraw/zinc/57/82/75/336578275.db2.gz MOUNOLRSSQULGX-MRXNPFEDSA-N -1 3 301.773 3.562 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000357309047 336580232 /nfs/dbraw/zinc/58/02/32/336580232.db2.gz MTFXSVTVNGXJLX-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cccc([O-])c1 ZINC000357334051 336581223 /nfs/dbraw/zinc/58/12/23/336581223.db2.gz DQGWADBCYNIKNM-GOSISDBHSA-N -1 3 311.381 3.550 20 0 DHADHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C12CCCCC2 ZINC000357361675 336582478 /nfs/dbraw/zinc/58/24/78/336582478.db2.gz FPOWISXPNGWIBS-IRXDYDNUSA-N -1 3 317.429 3.592 20 0 DHADHM COc1cc(C(=O)N(C)Cc2ccc3ccccc3c2)ccc1[O-] ZINC000357592934 336591785 /nfs/dbraw/zinc/59/17/85/336591785.db2.gz JDTGGBCZEBOZEU-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM COc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)ccc1[O-] ZINC000357603215 336592190 /nfs/dbraw/zinc/59/21/90/336592190.db2.gz ZUVXMXYQJPLSLF-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM O=C(NC[C@H]1C[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000357648448 336593372 /nfs/dbraw/zinc/59/33/72/336593372.db2.gz BCQNMUDBNBKTOC-OCCSQVGLSA-N -1 3 301.773 3.579 20 0 DHADHM Cc1noc([N-]C(=O)COc2c(Cl)cccc2Cl)c1C ZINC000359359058 336669193 /nfs/dbraw/zinc/66/91/93/336669193.db2.gz BCGVPXJYFNKTHY-UHFFFAOYSA-N -1 3 315.156 3.616 20 0 DHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([O-])cc2F)c1C(C)C ZINC000360854369 336724422 /nfs/dbraw/zinc/72/44/22/336724422.db2.gz BKKQAXDOUJHODJ-UHFFFAOYSA-N -1 3 318.348 3.746 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(c3c(F)cccc3F)CC2)n1 ZINC000362528225 336802538 /nfs/dbraw/zinc/80/25/38/336802538.db2.gz KLZAMZYFCVAZKV-UHFFFAOYSA-N -1 3 318.367 3.753 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccc1[O-] ZINC000362548204 336803521 /nfs/dbraw/zinc/80/35/21/336803521.db2.gz QSQJLLUKIXOLMB-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000368024310 336835295 /nfs/dbraw/zinc/83/52/95/336835295.db2.gz YPNDMEIIIDFICG-KGLIPLIRSA-N -1 3 313.422 3.845 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3F)co2)o1 ZINC000373645847 336967896 /nfs/dbraw/zinc/96/78/96/336967896.db2.gz FUBMABPDAONEHC-UHFFFAOYSA-N -1 3 314.272 3.529 20 0 DHADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000375077948 337002695 /nfs/dbraw/zinc/00/26/95/337002695.db2.gz GFOXRHBVEYZXGI-ZWNOBZJWSA-N -1 3 320.414 3.618 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@H]1C1CCCCC1 ZINC000376098921 337026944 /nfs/dbraw/zinc/02/69/44/337026944.db2.gz RGUDBCISBMMWJV-AWEZNQCLSA-N -1 3 308.447 3.814 20 0 DHADHM C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000377973544 337064633 /nfs/dbraw/zinc/06/46/33/337064633.db2.gz XSVAAPFUOJLNFX-KHIZAZIESA-N -1 3 315.800 3.968 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CC2CCC1CC2 ZINC000394547580 337121551 /nfs/dbraw/zinc/12/15/51/337121551.db2.gz FMKPJCRRIJQUGF-BBCYWQGDSA-N -1 3 307.821 3.990 20 0 DHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccoc1 ZINC000173223412 337133723 /nfs/dbraw/zinc/13/37/23/337133723.db2.gz OREMADDKIZIDOP-UHFFFAOYSA-N -1 3 319.773 3.628 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(O)c3C)n[n-]2)o1 ZINC000177808562 337157598 /nfs/dbraw/zinc/15/75/98/337157598.db2.gz YXEDASSOSIUAFM-UHFFFAOYSA-N -1 3 311.341 3.553 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(O)c3C)[n-]n2)o1 ZINC000177808562 337157599 /nfs/dbraw/zinc/15/75/99/337157599.db2.gz YXEDASSOSIUAFM-UHFFFAOYSA-N -1 3 311.341 3.553 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCCCC[C@H]1c1ccco1 ZINC000179509198 337169955 /nfs/dbraw/zinc/16/99/55/337169955.db2.gz VRUZCAYVAAJZCP-WAVCKPEOSA-N -1 3 312.369 3.537 20 0 DHADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cnn1C(C)C ZINC000180780817 337177927 /nfs/dbraw/zinc/17/79/27/337177927.db2.gz VJOSXPNLNDUDEA-UHFFFAOYSA-N -1 3 307.781 3.692 20 0 DHADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000182458763 337186345 /nfs/dbraw/zinc/18/63/45/337186345.db2.gz ZXMWRUDOXUFPDX-KRWDZBQOSA-N -1 3 313.422 3.631 20 0 DHADHM O=C(C/C=C/c1ccccc1F)N1CCCc2cccc([O-])c21 ZINC000182903179 337190582 /nfs/dbraw/zinc/19/05/82/337190582.db2.gz WFGXLRSAMMKOEO-QPJJXVBHSA-N -1 3 311.356 3.914 20 0 DHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183253535 337192601 /nfs/dbraw/zinc/19/26/01/337192601.db2.gz JKWOEKUDZKBDSM-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1SCCc2ccccc21 ZINC000183278201 337192743 /nfs/dbraw/zinc/19/27/43/337192743.db2.gz MVFVUZQCKSWPBP-OAHLLOKOSA-N -1 3 303.358 3.500 20 0 DHADHM O=[S@@](Cc1cccc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000184040712 337194714 /nfs/dbraw/zinc/19/47/14/337194714.db2.gz YGWJGZRVJQIJNW-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM Cc1oc(-c2cccs2)nc1C[S@](=O)c1cccc([O-])c1 ZINC000184046859 337196974 /nfs/dbraw/zinc/19/69/74/337196974.db2.gz PMLCQLHIYLFJTF-NRFANRHFSA-N -1 3 319.407 3.725 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000186200501 337254494 /nfs/dbraw/zinc/25/44/94/337254494.db2.gz DUYKSWPHRVADDY-UHFFFAOYSA-N -1 3 319.351 3.714 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000187466649 337266156 /nfs/dbraw/zinc/26/61/56/337266156.db2.gz YZWULTCBPVWYQO-LBPRGKRZSA-N -1 3 317.335 3.609 20 0 DHADHM O=C(Nc1ccc(F)cc1F)c1cc([O-])ccc1C(F)(F)F ZINC000188405931 337273255 /nfs/dbraw/zinc/27/32/55/337273255.db2.gz YUHGQMFLWOSPKK-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM O=C([N-][C@H](c1cc2ccccc2o1)c1ccccc1)C(F)F ZINC000192799070 337307589 /nfs/dbraw/zinc/30/75/89/337307589.db2.gz UKYMRRSVBBVJFN-HNNXBMFYSA-N -1 3 301.292 3.904 20 0 DHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000030215649 337390010 /nfs/dbraw/zinc/39/00/10/337390010.db2.gz YJIRIOWUAJJVOS-NSHDSACASA-N -1 3 320.352 3.537 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000120912589 337396060 /nfs/dbraw/zinc/39/60/60/337396060.db2.gz IBNXNLKSJVHWJK-KRWDZBQOSA-N -1 3 310.397 3.853 20 0 DHADHM CCC(CC)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000124379931 337404996 /nfs/dbraw/zinc/40/49/96/337404996.db2.gz ZAGOBUXBSRKKCA-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2c(F)cc(F)cc2F)cc1F ZINC000124944492 337408464 /nfs/dbraw/zinc/40/84/64/337408464.db2.gz VHLSXKMOMYKVOB-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nc(C)cs1 ZINC000133124749 337444537 /nfs/dbraw/zinc/44/45/37/337444537.db2.gz HGMRAXGSEHJRJD-CYBMUJFWSA-N -1 3 324.833 3.621 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(NC(C)=O)ccc2F)on1 ZINC000133499117 337445617 /nfs/dbraw/zinc/44/56/17/337445617.db2.gz ZMERENSADXWDLD-SECBINFHSA-N -1 3 319.336 3.538 20 0 DHADHM Cc1ccc(Br)c(NCc2nc(C)ccc2[O-])c1 ZINC000134431948 337448785 /nfs/dbraw/zinc/44/87/85/337448785.db2.gz UWIKMUOXZVFNEB-UHFFFAOYSA-N -1 3 307.191 3.779 20 0 DHADHM Cc1cnc2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)ccn12 ZINC000571896296 337581285 /nfs/dbraw/zinc/58/12/85/337581285.db2.gz WOPGEMSGSIATTP-GFCCVEGCSA-N -1 3 321.380 3.502 20 0 DHADHM CC(C)C[C@@H](CNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000263452408 337629637 /nfs/dbraw/zinc/62/96/37/337629637.db2.gz AYSMYBBOBPRGIH-QMMMGPOBSA-N -1 3 310.246 3.891 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421793366 337643927 /nfs/dbraw/zinc/64/39/27/337643927.db2.gz VMDASBSGGPOUCG-AEJSXWLSSA-N -1 3 310.191 3.529 20 0 DHADHM CC(C)c1cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000422004367 337665663 /nfs/dbraw/zinc/66/56/63/337665663.db2.gz KBMSKGVCLPVBMX-ZFWWWQNUSA-N -1 3 319.445 3.624 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3CCCC34CC4)n2)ccc1[O-] ZINC000528166376 337791089 /nfs/dbraw/zinc/79/10/89/337791089.db2.gz KBRFMQVOXLVSGW-LBPRGKRZSA-N -1 3 300.358 3.889 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000424623744 337925867 /nfs/dbraw/zinc/92/58/67/337925867.db2.gz QAFWARZQZDWDJF-NOZJJQNGSA-N -1 3 321.314 3.679 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ccc3nsnc3c2)c1[O-] ZINC000537393860 337934854 /nfs/dbraw/zinc/93/48/54/337934854.db2.gz GMMHXZWUPUFHFI-UHFFFAOYSA-N -1 3 319.773 3.611 20 0 DHADHM CCc1cccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1[O-] ZINC000537643284 337954899 /nfs/dbraw/zinc/95/48/99/337954899.db2.gz KSICAXWWUWLGKD-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ocnc2C2CC2)c([O-])c1 ZINC000515254162 337983872 /nfs/dbraw/zinc/98/38/72/337983872.db2.gz KWRYVUABIUHZPI-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000515617463 337994706 /nfs/dbraw/zinc/99/47/06/337994706.db2.gz UANARACYVYWCMN-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM CC1(C)C[C@H](C(=O)Nc2cccc([O-])c2F)c2ccccc2O1 ZINC000515800443 337998855 /nfs/dbraw/zinc/99/88/55/337998855.db2.gz GIJRRYLEJIQMSD-LBPRGKRZSA-N -1 3 315.344 3.815 20 0 DHADHM O=C(NC1CCCCC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426573750 338034956 /nfs/dbraw/zinc/03/49/56/338034956.db2.gz PPHPPKLBAMLVFJ-UHFFFAOYSA-N -1 3 309.822 3.854 20 0 DHADHM CC[C@@H](C)[C@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426653675 338037120 /nfs/dbraw/zinc/03/71/20/338037120.db2.gz DTDFGEUGEGXVMH-BDAKNGLRSA-N -1 3 311.838 3.956 20 0 DHADHM C[C@H](CCC(=O)[O-])CNCc1cc(C(F)(F)F)ccc1Cl ZINC000426655047 338037309 /nfs/dbraw/zinc/03/73/09/338037309.db2.gz BSPFYNCCNYLJTG-SECBINFHSA-N -1 3 323.742 3.949 20 0 DHADHM O=C([O-])C[C@H](CNCc1cccc(Cl)c1F)c1ccccc1 ZINC000426667230 338037588 /nfs/dbraw/zinc/03/75/88/338037588.db2.gz YBVDBCDPSNUYEZ-CQSZACIVSA-N -1 3 321.779 3.827 20 0 DHADHM O=C([O-])C[C@@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000426667425 338037612 /nfs/dbraw/zinc/03/76/12/338037612.db2.gz YNKFKGFFXRBRLK-ZDUSSCGKSA-N -1 3 309.818 3.750 20 0 DHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426676524 338037779 /nfs/dbraw/zinc/03/77/79/338037779.db2.gz DDXPEHCJEQKGHW-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000426719037 338039118 /nfs/dbraw/zinc/03/91/18/338039118.db2.gz DBNOTIYHXZHGCY-BZNIZROVSA-N -1 3 305.324 3.516 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000426722310 338039264 /nfs/dbraw/zinc/03/92/64/338039264.db2.gz HDMDYLJJPAJRKH-MGPLVRAMSA-N -1 3 323.314 3.656 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2sccc2C)cc1 ZINC000426720398 338039271 /nfs/dbraw/zinc/03/92/71/338039271.db2.gz MQALULHKEDGIMK-HNNXBMFYSA-N -1 3 319.426 3.761 20 0 DHADHM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426732087 338039666 /nfs/dbraw/zinc/03/96/66/338039666.db2.gz HKTFMQKGVYVORS-KZSQQDEKSA-N -1 3 319.763 3.908 20 0 DHADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426733558 338039857 /nfs/dbraw/zinc/03/98/57/338039857.db2.gz YOLMWAPTUSKQRW-OAHLLOKOSA-N -1 3 321.829 3.977 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cccc3cc[nH]c32)C(=O)[O-])c1 ZINC000426757747 338041056 /nfs/dbraw/zinc/04/10/56/338041056.db2.gz FEUUTFRBHCRINV-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccccc2C)cc1 ZINC000426759598 338041172 /nfs/dbraw/zinc/04/11/72/338041172.db2.gz NVEQHFVKCMPKNY-SFHVURJKSA-N -1 3 313.397 3.699 20 0 DHADHM O=c1nc(-c2ccc3cc[nH]c3n2)[n-]c2sc3c(c21)CCCC3 ZINC000429550226 338083767 /nfs/dbraw/zinc/08/37/67/338083767.db2.gz WTIINMVCZHVQFG-UHFFFAOYSA-N -1 3 322.393 3.819 20 0 DHADHM C[C@H]1CC[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000429566160 338084220 /nfs/dbraw/zinc/08/42/20/338084220.db2.gz URSBKUBYGXSRLO-NWDGAFQWSA-N -1 3 311.385 3.702 20 0 DHADHM O=C(NCCc1cccc(Cl)c1)c1cc([O-])ccc1Cl ZINC000431624237 338134900 /nfs/dbraw/zinc/13/49/00/338134900.db2.gz KYAUFKRDFDJHBW-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM CN(C)[C@@H](CC(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000431788162 338138846 /nfs/dbraw/zinc/13/88/46/338138846.db2.gz ZCXRJHGSOGMVQK-HNNXBMFYSA-N -1 3 318.804 3.677 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000431847008 338140076 /nfs/dbraw/zinc/14/00/76/338140076.db2.gz UOZIMCRXNWSFPV-BZNIZROVSA-N -1 3 301.773 3.879 20 0 DHADHM [O-]c1ccc(CNc2nccc(Oc3ccccc3)n2)cc1F ZINC000432842125 338170578 /nfs/dbraw/zinc/17/05/78/338170578.db2.gz XHAOSNMHZMJHIA-UHFFFAOYSA-N -1 3 311.316 3.726 20 0 DHADHM CCNC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1C ZINC000433198860 338185380 /nfs/dbraw/zinc/18/53/80/338185380.db2.gz INBFHXVZIUKVBL-UHFFFAOYSA-N -1 3 317.364 3.593 20 0 DHADHM CCOc1ccc(OC)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433352213 338193702 /nfs/dbraw/zinc/19/37/02/338193702.db2.gz LYEJYRRKYARJPK-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc([O-])ccc1Cl ZINC000433384935 338194366 /nfs/dbraw/zinc/19/43/66/338194366.db2.gz LLDPNYGKZBEURJ-UHFFFAOYSA-N -1 3 318.804 3.981 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000433806330 338202489 /nfs/dbraw/zinc/20/24/89/338202489.db2.gz RYTUUHWXJKXJBY-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@@](C)(O)C2)c([O-])c(C(C)C)c1 ZINC000153810211 338231522 /nfs/dbraw/zinc/23/15/22/338231522.db2.gz CIAYWUNSCASTPC-LJQANCHMSA-N -1 3 319.445 3.626 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn3ccccc23)CC)n1 ZINC000435337065 338237308 /nfs/dbraw/zinc/23/73/08/338237308.db2.gz TWLISJJYZKOISL-RAXLEYEMSA-N -1 3 308.385 3.733 20 0 DHADHM O=[S@](Cc1nc(-c2ccccc2)cs1)c1cccc([O-])c1 ZINC000435429548 338239979 /nfs/dbraw/zinc/23/99/79/338239979.db2.gz XQWPXYMPOWCRAW-OAQYLSRUSA-N -1 3 315.419 3.824 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(Cc3ccc(F)cc3F)no2)c1 ZINC000435952976 338253978 /nfs/dbraw/zinc/25/39/78/338253978.db2.gz MQHNOCXEXVDUHK-QPJJXVBHSA-N -1 3 314.291 3.815 20 0 DHADHM COc1cccc(Cc2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435957781 338254289 /nfs/dbraw/zinc/25/42/89/338254289.db2.gz YRLLOIOHNGRARL-CMDGGOBGSA-N -1 3 308.337 3.545 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000436477258 338273550 /nfs/dbraw/zinc/27/35/50/338273550.db2.gz IHCQAFFXGIIFKV-UHFFFAOYSA-N -1 3 323.801 3.792 20 0 DHADHM COc1ccc(C(=O)N[C@H](C)c2ccccc2SC)c([O-])c1 ZINC000436486098 338273782 /nfs/dbraw/zinc/27/37/82/338273782.db2.gz IGFKRNVKYRRGBT-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM CCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1Cl ZINC000436488640 338274096 /nfs/dbraw/zinc/27/40/96/338274096.db2.gz MJKXJULXILRFHF-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC[C@H]1C(F)F ZINC000436496590 338274357 /nfs/dbraw/zinc/27/43/57/338274357.db2.gz QSMKWZMUKIZBME-AWEZNQCLSA-N -1 3 309.356 3.531 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccc4ncccc43)no2)c1 ZINC000436522285 338275046 /nfs/dbraw/zinc/27/50/46/338275046.db2.gz SUFAFXNZBIJEIB-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1ccc(NC(=O)c2cn(CC(C)C)nc2C(F)F)c([O-])c1 ZINC000448574464 338275329 /nfs/dbraw/zinc/27/53/29/338275329.db2.gz PXFQIQSPVRQTFD-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM COc1ccccc1C(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436530721 338275400 /nfs/dbraw/zinc/27/54/00/338275400.db2.gz FKKDNGBOCHYDSB-UHFFFAOYSA-N -1 3 310.353 3.777 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)on3)n2)cc1 ZINC000436533112 338275529 /nfs/dbraw/zinc/27/55/29/338275529.db2.gz MAFWNHKTCVLMDS-UHFFFAOYSA-N -1 3 323.283 3.903 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc(-c3ccncc3)cc2)c([O-])c1 ZINC000436534404 338275721 /nfs/dbraw/zinc/27/57/21/338275721.db2.gz HUZOKGGGPWYBOM-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM COc1cccc([C@@H](C)Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436534219 338275733 /nfs/dbraw/zinc/27/57/33/338275733.db2.gz OFKHIGANEBPOSA-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM CC(C)[C@@H](C)N(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436534736 338275837 /nfs/dbraw/zinc/27/58/37/338275837.db2.gz PRQLGFXYYDFCNL-CYBMUJFWSA-N -1 3 301.430 3.920 20 0 DHADHM COCCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1ccccc1 ZINC000436537623 338275997 /nfs/dbraw/zinc/27/59/97/338275997.db2.gz HYZMMLMXRJOIQI-OAHLLOKOSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)c([O-])c1C ZINC000436541223 338276043 /nfs/dbraw/zinc/27/60/43/338276043.db2.gz YUIMINFLFODJNC-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c([O-])c1 ZINC000436546493 338276589 /nfs/dbraw/zinc/27/65/89/338276589.db2.gz PBOHACNYZCEZHB-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1C ZINC000436550876 338276704 /nfs/dbraw/zinc/27/67/04/338276704.db2.gz ZLLQTMWQCIUXNO-KRWDZBQOSA-N -1 3 309.409 3.639 20 0 DHADHM COc1cc(-c2noc(-c3sccc3Cl)n2)ccc1[O-] ZINC000436556175 338276908 /nfs/dbraw/zinc/27/69/08/338276908.db2.gz QQTHXKNUOPYVJK-UHFFFAOYSA-N -1 3 308.746 3.833 20 0 DHADHM CN(CC1CCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436552868 338276916 /nfs/dbraw/zinc/27/69/16/338276916.db2.gz AUSSEPSGIGPRCE-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM CCSc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436559921 338276996 /nfs/dbraw/zinc/27/69/96/338276996.db2.gz APUQLWGWHPYGNL-LBPRGKRZSA-N -1 3 301.411 3.995 20 0 DHADHM Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)c([O-])c1 ZINC000436563633 338277216 /nfs/dbraw/zinc/27/72/16/338277216.db2.gz NVFQCMLUXHZSCM-UHFFFAOYSA-N -1 3 309.409 3.895 20 0 DHADHM CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436566394 338277485 /nfs/dbraw/zinc/27/74/85/338277485.db2.gz LRLVBEMYDMEVQV-UHFFFAOYSA-N -1 3 315.369 3.669 20 0 DHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC000436575144 338277810 /nfs/dbraw/zinc/27/78/10/338277810.db2.gz NPNMFHOQRLEYHW-GASCZTMLSA-N -1 3 309.409 3.711 20 0 DHADHM O=C(NCCC(F)(F)F)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436574922 338277850 /nfs/dbraw/zinc/27/78/50/338277850.db2.gz NEBWREFEQVWFGB-UHFFFAOYSA-N -1 3 323.314 3.665 20 0 DHADHM Cc1cc(Oc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)n[nH]1 ZINC000436587540 338278611 /nfs/dbraw/zinc/27/86/11/338278611.db2.gz XAYHACATQHYWRM-UHFFFAOYSA-N -1 3 323.352 3.777 20 0 DHADHM CC(C)CN1Cc2cccc(NC(=O)c3ccccc3[O-])c2C1 ZINC000436603573 338279433 /nfs/dbraw/zinc/27/94/33/338279433.db2.gz LYFMLMKEXAPTMA-UHFFFAOYSA-N -1 3 310.397 3.616 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OC(F)F)cc2F)c1[O-] ZINC000436622767 338280314 /nfs/dbraw/zinc/28/03/14/338280314.db2.gz FIAXIICSAKULEI-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000436626961 338280538 /nfs/dbraw/zinc/28/05/38/338280538.db2.gz UBBOBKREMUWBGL-GXTWGEPZSA-N -1 3 321.298 3.697 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436624003 338280544 /nfs/dbraw/zinc/28/05/44/338280544.db2.gz JQDOIXXTDFEVHS-KRWDZBQOSA-N -1 3 319.763 3.757 20 0 DHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cccc2ccccc21 ZINC000436634792 338280868 /nfs/dbraw/zinc/28/08/68/338280868.db2.gz LNJOWVAYAHPMCQ-LBPRGKRZSA-N -1 3 307.349 3.742 20 0 DHADHM CCC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436652904 338281685 /nfs/dbraw/zinc/28/16/85/338281685.db2.gz BMQBKLHOMRCTIY-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(c3ccccc3F)C2)c([O-])c1 ZINC000436658638 338281784 /nfs/dbraw/zinc/28/17/84/338281784.db2.gz VJKTXBFHOYJWIO-UHFFFAOYSA-N -1 3 313.372 3.894 20 0 DHADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000436674282 338282317 /nfs/dbraw/zinc/28/23/17/338282317.db2.gz UZBYQNPXQSOMFH-AWEZNQCLSA-N -1 3 305.761 3.632 20 0 DHADHM CC[C@H](C)Oc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436676714 338282407 /nfs/dbraw/zinc/28/24/07/338282407.db2.gz SFSOEPBKKBYMDV-LBPRGKRZSA-N -1 3 315.369 3.830 20 0 DHADHM C[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccccc21 ZINC000436680942 338282664 /nfs/dbraw/zinc/28/26/64/338282664.db2.gz LGNWVWMEHQYTKF-LBPRGKRZSA-N -1 3 323.392 3.870 20 0 DHADHM Cc1cccc(C(=O)NCCCSc2ccccc2)c1[O-] ZINC000436702666 338283307 /nfs/dbraw/zinc/28/33/07/338283307.db2.gz DORVZVDLSZFKAM-UHFFFAOYSA-N -1 3 301.411 3.613 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c([O-])c1 ZINC000436705677 338283445 /nfs/dbraw/zinc/28/34/45/338283445.db2.gz SSEWYDNHPFZHJC-HNNXBMFYSA-N -1 3 311.381 3.711 20 0 DHADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436708048 338283470 /nfs/dbraw/zinc/28/34/70/338283470.db2.gz VZDSPIQQZNLORL-HUUCEWRRSA-N -1 3 307.459 3.749 20 0 DHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(C)c1[O-] ZINC000436706488 338283477 /nfs/dbraw/zinc/28/34/77/338283477.db2.gz PXVWGEHMCCNEHG-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM CCc1cc(C(=O)Nc2cnn([C@H](C)CC)c2C)ccc1[O-] ZINC000436712507 338283665 /nfs/dbraw/zinc/28/36/65/338283665.db2.gz GHSSBTAMGZUUAB-LLVKDONJSA-N -1 3 301.390 3.683 20 0 DHADHM CCc1ccc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)c([O-])c1 ZINC000436709387 338283766 /nfs/dbraw/zinc/28/37/66/338283766.db2.gz XIELGUATQYLQLG-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2c(F)cncc2F)c([O-])c1 ZINC000436717418 338283859 /nfs/dbraw/zinc/28/38/59/338283859.db2.gz WQIHEYGCSGJILY-JTQLQIEISA-N -1 3 320.339 3.680 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000436717543 338283964 /nfs/dbraw/zinc/28/39/64/338283964.db2.gz HHEZXBYSTZJYBO-LLVKDONJSA-N -1 3 318.442 3.946 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000436717544 338284058 /nfs/dbraw/zinc/28/40/58/338284058.db2.gz HHEZXBYSTZJYBO-NSHDSACASA-N -1 3 318.442 3.946 20 0 DHADHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)c([O-])c1 ZINC000436743975 338285252 /nfs/dbraw/zinc/28/52/52/338285252.db2.gz IKDBOWAJPMPAHD-UHFFFAOYSA-N -1 3 313.401 3.683 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CCCc4ccccc43)c([O-])c2O1 ZINC000436755267 338285504 /nfs/dbraw/zinc/28/55/04/338285504.db2.gz MJSPINPFYXOKPA-UHFFFAOYSA-N -1 3 323.392 3.699 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436753011 338285577 /nfs/dbraw/zinc/28/55/77/338285577.db2.gz ZNANPOKGAMNDNC-KRWDZBQOSA-N -1 3 313.397 3.933 20 0 DHADHM Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)c([O-])c1C ZINC000436760535 338286133 /nfs/dbraw/zinc/28/61/33/338286133.db2.gz QCRKGOYQMPQABB-UHFFFAOYSA-N -1 3 301.411 3.875 20 0 DHADHM CN(C)Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436760695 338286163 /nfs/dbraw/zinc/28/61/63/338286163.db2.gz RUIARPMZPGSLBE-UHFFFAOYSA-N -1 3 320.392 3.859 20 0 DHADHM Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)c1 ZINC000436766036 338286338 /nfs/dbraw/zinc/28/63/38/338286338.db2.gz BUVISDBYHRBSDO-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccon1 ZINC000436765549 338286457 /nfs/dbraw/zinc/28/64/57/338286457.db2.gz PWQBJZYHXGYSJE-GFCCVEGCSA-N -1 3 324.336 3.664 20 0 DHADHM CC(=O)Nc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767652 338286509 /nfs/dbraw/zinc/28/65/09/338286509.db2.gz GRHYPDYQLGWVCO-WCIBSUBMSA-N -1 3 321.336 3.571 20 0 DHADHM [O-]c1ccc(-c2noc(CCCOc3cccc(F)c3)n2)cc1 ZINC000436769530 338286613 /nfs/dbraw/zinc/28/66/13/338286613.db2.gz OJABXMYOUKQAMR-UHFFFAOYSA-N -1 3 314.316 3.593 20 0 DHADHM CCC(=O)c1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767655 338286646 /nfs/dbraw/zinc/28/66/46/338286646.db2.gz GRTVJFGYBLQNRC-UHFFFAOYSA-N -1 3 324.336 3.614 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)cc1 ZINC000436770906 338286720 /nfs/dbraw/zinc/28/67/20/338286720.db2.gz VVBNXPQMIIAAHK-UHFFFAOYSA-N -1 3 305.293 3.764 20 0 DHADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436781568 338287077 /nfs/dbraw/zinc/28/70/77/338287077.db2.gz KEASTHBCYPJHMH-ZDUSSCGKSA-N -1 3 303.427 3.855 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cnc4c(F)cccc4c3)n2)cc1 ZINC000436781326 338287173 /nfs/dbraw/zinc/28/71/73/338287173.db2.gz BUZFPOOPXOAEIK-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM COc1cccc(-c2nc(-c3occc3C(C)C)no2)c1[O-] ZINC000436782961 338287204 /nfs/dbraw/zinc/28/72/04/338287204.db2.gz ZZIJDBGGEQRCSZ-UHFFFAOYSA-N -1 3 300.314 3.834 20 0 DHADHM CCc1nn(C)cc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436786896 338287250 /nfs/dbraw/zinc/28/72/50/338287250.db2.gz LEDUZBCHAYJNCX-UHFFFAOYSA-N -1 3 312.373 3.529 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cccc3cccnc32)c([O-])c1 ZINC000436791070 338287474 /nfs/dbraw/zinc/28/74/74/338287474.db2.gz IKUPXTOZJPBBAE-UHFFFAOYSA-N -1 3 320.392 3.994 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c([O-])c1C ZINC000436797628 338287749 /nfs/dbraw/zinc/28/77/49/338287749.db2.gz GYPVJLNTBCCQOC-IUODEOHRSA-N -1 3 317.335 3.573 20 0 DHADHM CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436803529 338287883 /nfs/dbraw/zinc/28/78/83/338287883.db2.gz PRCUJVXPZXYNMF-UHFFFAOYSA-N -1 3 307.781 3.638 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436803161 338288044 /nfs/dbraw/zinc/28/80/44/338288044.db2.gz MULKTBZXDRISJE-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ncccc2OC(C)C)c1[O-] ZINC000436807599 338288162 /nfs/dbraw/zinc/28/81/62/338288162.db2.gz JCFICBJKUIMWGP-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM Cc1cccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1[O-] ZINC000436816519 338288372 /nfs/dbraw/zinc/28/83/72/338288372.db2.gz DYZNPADNELEKPW-ZDUSSCGKSA-N -1 3 301.390 3.757 20 0 DHADHM Cc1cccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c1[O-] ZINC000436816518 338288378 /nfs/dbraw/zinc/28/83/78/338288378.db2.gz DYZNPADNELEKPW-CYBMUJFWSA-N -1 3 301.390 3.757 20 0 DHADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436818717 338288467 /nfs/dbraw/zinc/28/84/67/338288467.db2.gz BGTHJGWLNMKUPC-HNNXBMFYSA-N -1 3 319.788 3.505 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c([O-])c1 ZINC000436821934 338288618 /nfs/dbraw/zinc/28/86/18/338288618.db2.gz RAFNMUWXSGEVQM-MRXNPFEDSA-N -1 3 313.372 3.687 20 0 DHADHM CCc1ccc(C(=O)N[C@H](CC)c2nc(C)cs2)c([O-])c1 ZINC000436824006 338288646 /nfs/dbraw/zinc/28/86/46/338288646.db2.gz FDPBNZIDLXWTJO-CYBMUJFWSA-N -1 3 304.415 3.601 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436832533 338288926 /nfs/dbraw/zinc/28/89/26/338288926.db2.gz SADNMDAPJFMADJ-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)c([O-])c1 ZINC000436833055 338289091 /nfs/dbraw/zinc/28/90/91/338289091.db2.gz KSLINAZTAKIZOM-OAHLLOKOSA-N -1 3 316.426 3.601 20 0 DHADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)Cc1ccsc1 ZINC000436838767 338289280 /nfs/dbraw/zinc/28/92/80/338289280.db2.gz LCTMDJNIGJHUAU-CYBMUJFWSA-N -1 3 303.427 3.855 20 0 DHADHM CCc1ccc(C(=O)N(CCc2nccs2)C(C)C)c([O-])c1 ZINC000436837582 338289433 /nfs/dbraw/zinc/28/94/33/338289433.db2.gz PIKFRJCPWBPFJE-UHFFFAOYSA-N -1 3 318.442 3.504 20 0 DHADHM CC[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436845506 338289695 /nfs/dbraw/zinc/28/96/95/338289695.db2.gz TVWQABJFUAOMOR-AWEZNQCLSA-N -1 3 301.430 3.923 20 0 DHADHM CCc1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)c([O-])c1 ZINC000436845954 338289728 /nfs/dbraw/zinc/28/97/28/338289728.db2.gz LBRWGSHSTPGXDJ-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000436848099 338289766 /nfs/dbraw/zinc/28/97/66/338289766.db2.gz SRTVOOKLKNZHDB-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM CSCCc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000436850592 338289869 /nfs/dbraw/zinc/28/98/69/338289869.db2.gz IPDSBORISDGUHH-UHFFFAOYSA-N -1 3 301.411 3.858 20 0 DHADHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C)cc2[O-])ccn1 ZINC000436846942 338289939 /nfs/dbraw/zinc/28/99/39/338289939.db2.gz IPFYUNGTFHVFLE-LBPRGKRZSA-N -1 3 300.358 3.525 20 0 DHADHM CCC(=O)c1ccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1 ZINC000436867686 338290671 /nfs/dbraw/zinc/29/06/71/338290671.db2.gz DVHHLHMRAOANEA-UHFFFAOYSA-N -1 3 324.336 3.711 20 0 DHADHM CCc1ccc(-c2nc(-c3cnc4ccc(C)cn43)no2)c([O-])c1 ZINC000436881281 338291559 /nfs/dbraw/zinc/29/15/59/338291559.db2.gz MXLPIRIVKBQGRE-UHFFFAOYSA-N -1 3 320.352 3.628 20 0 DHADHM Cc1cccc(C(=O)N2CCC(CC(F)(F)F)CC2)c1[O-] ZINC000436884371 338291764 /nfs/dbraw/zinc/29/17/64/338291764.db2.gz GAXMHOFFJLXIAE-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccc2[nH]ccc2c1 ZINC000436886741 338291793 /nfs/dbraw/zinc/29/17/93/338291793.db2.gz OCJSTWWZCTYDIL-UHFFFAOYSA-N -1 3 310.353 3.549 20 0 DHADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436889909 338291968 /nfs/dbraw/zinc/29/19/68/338291968.db2.gz BLUYVQIWHCOYOX-ZBEGNZNMSA-N -1 3 319.788 3.552 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C/c3nc4ccccc4o3)n2)cc1 ZINC000436892030 338292150 /nfs/dbraw/zinc/29/21/50/338292150.db2.gz JZXSUOCWOSJIEA-MDZDMXLPSA-N -1 3 305.293 3.754 20 0 DHADHM Cc1cccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c1[O-] ZINC000436916894 338293287 /nfs/dbraw/zinc/29/32/87/338293287.db2.gz BHOAOTBHXYFVBL-UHFFFAOYSA-N -1 3 323.327 3.962 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436923105 338293695 /nfs/dbraw/zinc/29/36/95/338293695.db2.gz ARXRKCUHARAKBY-AWEZNQCLSA-N -1 3 301.411 3.912 20 0 DHADHM CSCc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436925762 338293837 /nfs/dbraw/zinc/29/38/37/338293837.db2.gz JHIYIJHHTQGINM-UHFFFAOYSA-N -1 3 308.790 3.556 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cc(Cl)cs3)n2)cc1 ZINC000436935607 338294377 /nfs/dbraw/zinc/29/43/77/338294377.db2.gz KUMOGNYBFZMMJB-UHFFFAOYSA-N -1 3 306.774 3.942 20 0 DHADHM CSCc1cc(F)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436936700 338294457 /nfs/dbraw/zinc/29/44/57/338294457.db2.gz GNQXDANKSWUGGN-UHFFFAOYSA-N -1 3 319.401 3.633 20 0 DHADHM CCc1cnccc1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436945776 338295141 /nfs/dbraw/zinc/29/51/41/338295141.db2.gz VGLQKPRGNHKPMB-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCc2ccccc21 ZINC000436946219 338295151 /nfs/dbraw/zinc/29/51/51/338295151.db2.gz WMJIFHZRGRSLGN-QGZVFWFLSA-N -1 3 311.381 3.638 20 0 DHADHM O=C(Nc1nccs1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436951143 338295461 /nfs/dbraw/zinc/29/54/61/338295461.db2.gz DNHDZVHWZUDZPR-UHFFFAOYSA-N -1 3 312.350 3.893 20 0 DHADHM COc1ccc(C)cc1Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000436997430 338297238 /nfs/dbraw/zinc/29/72/38/338297238.db2.gz IVVNVUBSCVAQGB-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1(C)C ZINC000437006696 338297438 /nfs/dbraw/zinc/29/74/38/338297438.db2.gz RPAZPEYNMQZMDX-INIZCTEOSA-N -1 3 317.429 3.612 20 0 DHADHM Cc1ccc([C@@H](NC(=O)c2ccccc2[O-])c2ccccn2)cc1 ZINC000437005145 338297587 /nfs/dbraw/zinc/29/75/87/338297587.db2.gz VINWIOQKLOCFNC-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM Oc1[n-]c(SCCc2ccc3ccccc3c2)nc2nncc1-2 ZINC000437604457 338316004 /nfs/dbraw/zinc/31/60/04/338316004.db2.gz QJFNASXWWBAUQE-UHFFFAOYSA-N -1 3 322.393 3.547 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000438891105 338354805 /nfs/dbraw/zinc/35/48/05/338354805.db2.gz BGJAKYNBTBVHJE-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM CC(C)Nc1ncccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439096783 338360904 /nfs/dbraw/zinc/36/09/04/338360904.db2.gz NCADZMGWJSIZBB-UHFFFAOYSA-N -1 3 305.765 3.513 20 0 DHADHM Cc1ccn(C)c1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000439754441 338377207 /nfs/dbraw/zinc/37/72/07/338377207.db2.gz IAOMLZWQEDZJJU-UHFFFAOYSA-N -1 3 320.392 3.882 20 0 DHADHM O=S(=O)([N-]CC1CCC1)c1c(Cl)ccc2ccccc21 ZINC000440382542 338386514 /nfs/dbraw/zinc/38/65/14/338386514.db2.gz SHSHVAQWKSTYAK-UHFFFAOYSA-N -1 3 309.818 3.572 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC000440732458 338396229 /nfs/dbraw/zinc/39/62/29/338396229.db2.gz MOALJQQJRIJXDG-LLVKDONJSA-N -1 3 305.324 3.512 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000448761828 338574236 /nfs/dbraw/zinc/57/42/36/338574236.db2.gz QREJAPWLBHPXLN-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449347733 338615935 /nfs/dbraw/zinc/61/59/35/338615935.db2.gz DPWUPWPDZQPRCO-QGZVFWFLSA-N -1 3 307.315 3.977 20 0 DHADHM CCSc1cccnc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000449795865 338653687 /nfs/dbraw/zinc/65/36/87/338653687.db2.gz DKJRKDPEPHJTKL-UHFFFAOYSA-N -1 3 322.459 3.595 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000162893055 338670526 /nfs/dbraw/zinc/67/05/26/338670526.db2.gz FNSGLQUJSYCPAG-ZIAGYGMSSA-N -1 3 307.459 3.755 20 0 DHADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000451564325 338739417 /nfs/dbraw/zinc/73/94/17/338739417.db2.gz IPULRUIQIZGGMX-LLVKDONJSA-N -1 3 323.430 3.550 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C3CC3)c2)o1 ZINC000451589809 338739923 /nfs/dbraw/zinc/73/99/23/338739923.db2.gz WNXCBRVOBCUTQR-LBPRGKRZSA-N -1 3 305.399 3.505 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)CC(C)(C)C ZINC000452743616 338777568 /nfs/dbraw/zinc/77/75/68/338777568.db2.gz BAFHTTZLQLHOOF-UHFFFAOYSA-N -1 3 300.196 3.838 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000452748605 338777723 /nfs/dbraw/zinc/77/77/23/338777723.db2.gz KNIVMNCEXPJSDU-UWVGGRQHSA-N -1 3 312.207 3.694 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]1C1CC1 ZINC000452978038 338785284 /nfs/dbraw/zinc/78/52/84/338785284.db2.gz BAEHXHIPRLYSNC-KRWDZBQOSA-N -1 3 309.365 3.809 20 0 DHADHM CC(C)(C)CCC1(O)CC(c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000453020160 338786457 /nfs/dbraw/zinc/78/64/57/338786457.db2.gz MFCLIGWFLQKAFI-UHFFFAOYSA-N -1 3 316.401 3.877 20 0 DHADHM CCCN(C(=O)c1ccccc1[O-])[C@H]1CCc2ccccc2C1 ZINC000195645717 338912281 /nfs/dbraw/zinc/91/22/81/338912281.db2.gz BQEUNMYZOHVREE-KRWDZBQOSA-N -1 3 309.409 3.802 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000195722147 338914593 /nfs/dbraw/zinc/91/45/93/338914593.db2.gz WAXLQBHXNKQLQY-ZDUSSCGKSA-N -1 3 323.396 3.561 20 0 DHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000456664006 338936893 /nfs/dbraw/zinc/93/68/93/338936893.db2.gz QJFKXAMLEMPMAG-INIZCTEOSA-N -1 3 307.409 3.939 20 0 DHADHM CC[C@@H]1CC[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000456820109 338942090 /nfs/dbraw/zinc/94/20/90/338942090.db2.gz NOFNTCYXGDLMLC-UONOGXRCSA-N -1 3 307.409 3.891 20 0 DHADHM CC(C)C[C@@]1(C)CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000458408002 338998073 /nfs/dbraw/zinc/99/80/73/338998073.db2.gz GQWFPDYRDNJLFF-QGZVFWFLSA-N -1 3 308.397 3.642 20 0 DHADHM O=c1cc(CN(Cc2ccco2)C2CCCC2)nc(C2CC2)[n-]1 ZINC000459310734 339020916 /nfs/dbraw/zinc/02/09/16/339020916.db2.gz XEGODSATHPCZRP-UHFFFAOYSA-N -1 3 313.401 3.597 20 0 DHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459311217 339020937 /nfs/dbraw/zinc/02/09/37/339020937.db2.gz VORLKYISGXCYHV-NSHDSACASA-N -1 3 317.820 3.906 20 0 DHADHM CCCN(Cc1cc(Cl)c([O-])c(OCC)c1)CC(F)F ZINC000459318231 339021301 /nfs/dbraw/zinc/02/13/01/339021301.db2.gz CBMMZCWMPRKFCE-UHFFFAOYSA-N -1 3 307.768 3.921 20 0 DHADHM CCOc1cc(CN(C)Cc2ccoc2C)cc(Cl)c1[O-] ZINC000459330447 339022299 /nfs/dbraw/zinc/02/22/99/339022299.db2.gz SUWVXCCFTYRDHJ-UHFFFAOYSA-N -1 3 309.793 3.978 20 0 DHADHM CC[C@H]1C[C@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC000459443631 339029522 /nfs/dbraw/zinc/02/95/22/339029522.db2.gz DXJILTOSIXQAGG-MGPUTAFESA-N -1 3 323.440 3.783 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000459471981 339031276 /nfs/dbraw/zinc/03/12/76/339031276.db2.gz OIQDFEZJRSFLLI-JTQLQIEISA-N -1 3 303.793 3.564 20 0 DHADHM CCOc1cc(CNc2ccnn2CC(C)C)cc(Cl)c1[O-] ZINC000459487068 339032285 /nfs/dbraw/zinc/03/22/85/339032285.db2.gz VLVZYWKNELJBSX-UHFFFAOYSA-N -1 3 323.824 3.909 20 0 DHADHM C[C@H](CCCc1cccnc1)NCc1cccc([O-])c1Cl ZINC000459641844 339039827 /nfs/dbraw/zinc/03/98/27/339039827.db2.gz BAQMXVALYPWNTP-CYBMUJFWSA-N -1 3 304.821 3.942 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460970403 339056256 /nfs/dbraw/zinc/05/62/56/339056256.db2.gz QMQBBOIEGMYOGL-SFHVURJKSA-N -1 3 317.404 3.645 20 0 DHADHM CC1(C2CC2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000461191415 339060000 /nfs/dbraw/zinc/06/00/00/339060000.db2.gz KVDXJICVLDVCJP-UHFFFAOYSA-N -1 3 319.420 3.893 20 0 DHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1ccc(Cl)s1 ZINC000462482858 339079610 /nfs/dbraw/zinc/07/96/10/339079610.db2.gz BOFNGPYPCGAOEV-WDEREUQCSA-N -1 3 319.879 3.649 20 0 DHADHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000465505005 339178451 /nfs/dbraw/zinc/17/84/51/339178451.db2.gz SRAPVAUMKFMSTQ-ZYHUDNBSSA-N -1 3 321.364 3.562 20 0 DHADHM CCc1ccc([C@@H](NCc2nc(CC)cc(=O)[n-]2)C(C)C)cc1 ZINC000468285519 339258894 /nfs/dbraw/zinc/25/88/94/339258894.db2.gz KPOSHUFMEMHCDU-IBGZPJMESA-N -1 3 313.445 3.794 20 0 DHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468394222 339261675 /nfs/dbraw/zinc/26/16/75/339261675.db2.gz YKBPEANNRUPBQX-BBRMVZONSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)ccc1F ZINC000468529553 339265472 /nfs/dbraw/zinc/26/54/72/339265472.db2.gz QBXQULBOUMIXPC-UHFFFAOYSA-N -1 3 319.351 3.618 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1=CCCCC1 ZINC000468556981 339266327 /nfs/dbraw/zinc/26/63/27/339266327.db2.gz XBICLFFVEYGTJF-UHFFFAOYSA-N -1 3 305.393 3.861 20 0 DHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468582399 339266837 /nfs/dbraw/zinc/26/68/37/339266837.db2.gz XDODCCYQQJHZAM-CYBMUJFWSA-N -1 3 301.361 3.731 20 0 DHADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000468972477 339276535 /nfs/dbraw/zinc/27/65/35/339276535.db2.gz LNUKHLLCOZBPRT-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM CC(C)C[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469003241 339277303 /nfs/dbraw/zinc/27/73/03/339277303.db2.gz RDAGQKOTHNVLGY-OAHLLOKOSA-N -1 3 307.409 3.891 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(C)c1 ZINC000469170866 339282011 /nfs/dbraw/zinc/28/20/11/339282011.db2.gz GCHLJZPOPWCTOZ-GFCCVEGCSA-N -1 3 311.381 3.863 20 0 DHADHM CCc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469391146 339287775 /nfs/dbraw/zinc/28/77/75/339287775.db2.gz NTBWWLNPBZYEHY-UHFFFAOYSA-N -1 3 315.388 3.733 20 0 DHADHM CC(C)C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469417433 339288359 /nfs/dbraw/zinc/28/83/59/339288359.db2.gz DNFSJJIDUOOPIB-HNNXBMFYSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@H]1c2ccccc2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469421726 339288569 /nfs/dbraw/zinc/28/85/69/339288569.db2.gz GFUGNRZUAXSSOU-ZDUSSCGKSA-N -1 3 313.372 3.957 20 0 DHADHM CC1(C)CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469667781 339295199 /nfs/dbraw/zinc/29/51/99/339295199.db2.gz AAHCOKKZEJYUSO-CQSZACIVSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469671820 339295251 /nfs/dbraw/zinc/29/52/51/339295251.db2.gz AAUDHJIRXPBKAM-HIFRSBDPSA-N -1 3 307.409 3.939 20 0 DHADHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000471640904 339350137 /nfs/dbraw/zinc/35/01/37/339350137.db2.gz BHVXJPMYJOLIQZ-GFCCVEGCSA-N -1 3 310.806 3.629 20 0 DHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472268646 339368142 /nfs/dbraw/zinc/36/81/42/339368142.db2.gz IICHTFAAVRKHJI-NVXWUHKLSA-N -1 3 315.438 3.949 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(COc3ccccc3)CC2)c1 ZINC000473131886 339381766 /nfs/dbraw/zinc/38/17/66/339381766.db2.gz JGFMCAJMLSRCAN-UHFFFAOYSA-N -1 3 315.388 3.822 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2SC)c1 ZINC000473471847 339385909 /nfs/dbraw/zinc/38/59/09/339385909.db2.gz HOVHYFBUBAZPDQ-UHFFFAOYSA-N -1 3 315.438 3.949 20 0 DHADHM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])CO2 ZINC000474363330 339411081 /nfs/dbraw/zinc/41/10/81/339411081.db2.gz OETHALDUKOYWFO-ZDUSSCGKSA-N -1 3 317.772 3.777 20 0 DHADHM Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000474788208 339425966 /nfs/dbraw/zinc/42/59/66/339425966.db2.gz QAQTVWMTPAXJON-GDBMZVCRSA-N -1 3 310.397 3.554 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CC1CC1)C1CCC1 ZINC000478617481 339519334 /nfs/dbraw/zinc/51/93/34/339519334.db2.gz WCAODZPGVZQUSQ-UHFFFAOYSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000483809728 339675093 /nfs/dbraw/zinc/67/50/93/339675093.db2.gz XFUZRNKRYMJMGT-RISCZKNCSA-N -1 3 308.397 3.545 20 0 DHADHM Cc1cc(C(=O)N2CCSC3(CCCCC3)C2)ccc1[O-] ZINC000498521817 339765925 /nfs/dbraw/zinc/76/59/25/339765925.db2.gz BCCKNPWYYUQDAF-UHFFFAOYSA-N -1 3 305.443 3.593 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000498528477 339768865 /nfs/dbraw/zinc/76/88/65/339768865.db2.gz JHALOHRYBBCMFS-SJLPKXTDSA-N -1 3 309.409 3.842 20 0 DHADHM Cc1cc(C(=O)N(C)CCOc2cccc(Cl)c2)ccc1[O-] ZINC000498546861 339789939 /nfs/dbraw/zinc/78/99/39/339789939.db2.gz AXSIZXPGDDXWLL-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM Cc1cncc(/C=C\C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000492297319 339896954 /nfs/dbraw/zinc/89/69/54/339896954.db2.gz HKANCIIZYIOXQQ-DJWKRKHSSA-N -1 3 322.286 3.766 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000499628874 340041598 /nfs/dbraw/zinc/04/15/98/340041598.db2.gz BFGBHWQHGKFSHQ-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)ccc1[O-] ZINC000499831815 340045461 /nfs/dbraw/zinc/04/54/61/340045461.db2.gz HISRBKBHDLWQBY-UHFFFAOYSA-N -1 3 315.344 3.881 20 0 DHADHM Cc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)ccc1[O-] ZINC000499868903 340046285 /nfs/dbraw/zinc/04/62/85/340046285.db2.gz JJIHVFKHJVGTNP-UHFFFAOYSA-N -1 3 315.800 3.816 20 0 DHADHM Cc1cc(C(=O)NCCCCCOC2CCCCC2)ccc1[O-] ZINC000500007796 340048585 /nfs/dbraw/zinc/04/85/85/340048585.db2.gz PTVCWEXZLTZHNP-UHFFFAOYSA-N -1 3 319.445 3.950 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000500047349 340049198 /nfs/dbraw/zinc/04/91/98/340049198.db2.gz HWROXGWCPVEJOX-UTLUCORTSA-N -1 3 307.868 3.505 20 0 DHADHM C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]Cc1ncccc1[O-] ZINC000500405028 340057111 /nfs/dbraw/zinc/05/71/11/340057111.db2.gz QVPKWALOHOJADY-XFXZXTDPSA-N -1 3 322.330 3.999 20 0 DHADHM C/C(=C/c1ccccc1C(F)(F)F)CNCc1ncccc1[O-] ZINC000500405028 340057112 /nfs/dbraw/zinc/05/71/12/340057112.db2.gz QVPKWALOHOJADY-XFXZXTDPSA-N -1 3 322.330 3.999 20 0 DHADHM CC(C)(C)C1CC(NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000504810960 340152923 /nfs/dbraw/zinc/15/29/23/340152923.db2.gz RSUWPLDWQVYTCS-UHFFFAOYSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C[C@H]2C[C@H]2C1 ZINC000504886992 340154680 /nfs/dbraw/zinc/15/46/80/340154680.db2.gz GOMLIPOEOKVQQB-QRJZZWFUSA-N -1 3 315.291 3.666 20 0 DHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000505417575 340168015 /nfs/dbraw/zinc/16/80/15/340168015.db2.gz XGKUGLTZAZXZDI-UHFFFAOYSA-N -1 3 322.412 3.646 20 0 DHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2sccc2Cl)c1 ZINC000506111997 340185913 /nfs/dbraw/zinc/18/59/13/340185913.db2.gz GAPTWJGOFRFOEA-UHFFFAOYSA-N -1 3 313.737 3.580 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cccc3n[nH]cc32)c([O-])c1 ZINC000506246342 340189880 /nfs/dbraw/zinc/18/98/80/340189880.db2.gz DCMPNIZHMAIUAW-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3nccn3c2)c([O-])c1 ZINC000506253081 340190110 /nfs/dbraw/zinc/19/01/10/340190110.db2.gz JFKKNGAWHSBTLP-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM COCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000506253134 340190129 /nfs/dbraw/zinc/19/01/29/340190129.db2.gz JQLNMOMLCILWST-UHFFFAOYSA-N -1 3 303.358 3.681 20 0 DHADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccsc1 ZINC000506592050 340197280 /nfs/dbraw/zinc/19/72/80/340197280.db2.gz FLUQFXXVTNBOGT-UHFFFAOYSA-N -1 3 308.211 3.856 20 0 DHADHM CC(C)(C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000507557571 340225009 /nfs/dbraw/zinc/22/50/09/340225009.db2.gz WZSJHIMNPSVSSH-UHFFFAOYSA-N -1 3 303.280 3.666 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cnccc2OC(C)(C)C)c1 ZINC000508183407 340240242 /nfs/dbraw/zinc/24/02/42/340240242.db2.gz DCIDJAUSXYKIGH-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM CCS[C@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508534791 340246025 /nfs/dbraw/zinc/24/60/25/340246025.db2.gz PNMRZOCZZMFPSM-NSHDSACASA-N -1 3 301.402 3.778 20 0 DHADHM Cc1cc(C)cc(N(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508597514 340247403 /nfs/dbraw/zinc/24/74/03/340247403.db2.gz IAKYWHFAJIQNCD-UHFFFAOYSA-N -1 3 303.789 3.868 20 0 DHADHM CCCN(C(=O)c1cccc([O-])c1)[C@H]1CCc2ccccc2C1 ZINC000509082082 340260720 /nfs/dbraw/zinc/26/07/20/340260720.db2.gz IRGDCCHIFHUMDQ-SFHVURJKSA-N -1 3 309.409 3.802 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000509142517 340262233 /nfs/dbraw/zinc/26/22/33/340262233.db2.gz VWZVHEHHWYJEES-MBNYWOFBSA-N -1 3 307.821 3.673 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2c1cccc2Cl ZINC000509230336 340264203 /nfs/dbraw/zinc/26/42/03/340264203.db2.gz SXPQZEYXBSMJIF-UHFFFAOYSA-N -1 3 322.191 3.831 20 0 DHADHM CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc([O-])c1 ZINC000509290897 340265481 /nfs/dbraw/zinc/26/54/81/340265481.db2.gz RVZJPVGWUCAFQY-UHFFFAOYSA-N -1 3 303.789 3.797 20 0 DHADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000509510284 340271773 /nfs/dbraw/zinc/27/17/73/340271773.db2.gz PBRMAPNKPOSNOT-HNNXBMFYSA-N -1 3 323.314 3.686 20 0 DHADHM COc1cc(C(=O)N(CCC(C)C)CCC(C)C)ccc1[O-] ZINC000509760924 340278493 /nfs/dbraw/zinc/27/84/93/340278493.db2.gz UGUCKCGRMAUAAB-UHFFFAOYSA-N -1 3 307.434 3.935 20 0 DHADHM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000509821623 340280356 /nfs/dbraw/zinc/28/03/56/340280356.db2.gz UTFRSDUAFARDMM-KBPBESRZSA-N -1 3 305.418 3.736 20 0 DHADHM COc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2)ccc1[O-] ZINC000509842977 340281385 /nfs/dbraw/zinc/28/13/85/340281385.db2.gz PEYCMRWZYODXIT-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM COc1cccc2sc(NC(=O)c3cccc(C)c3[O-])nc21 ZINC000302915187 340286233 /nfs/dbraw/zinc/28/62/33/340286233.db2.gz KEXNGZAIIPJMRR-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1[O-] ZINC000302938978 340287976 /nfs/dbraw/zinc/28/79/76/340287976.db2.gz KONBASVWIROGSJ-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1[O-] ZINC000302974313 340291657 /nfs/dbraw/zinc/29/16/57/340291657.db2.gz TTYYMVNLQUGJCX-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000511696170 340335438 /nfs/dbraw/zinc/33/54/38/340335438.db2.gz UKGGETXKAHLDCB-AWEZNQCLSA-N -1 3 319.426 3.973 20 0 DHADHM [O-]c1ccc(F)c(CNCCC2Cc3ccccc3C2)c1F ZINC000511819295 340339012 /nfs/dbraw/zinc/33/90/12/340339012.db2.gz CRTHUGHMSKVWQY-UHFFFAOYSA-N -1 3 303.352 3.565 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@H](COc3ccccc3)C2)c1F ZINC000512339379 340357945 /nfs/dbraw/zinc/35/79/45/340357945.db2.gz UXXLSCBNZJKSEB-ZDUSSCGKSA-N -1 3 319.351 3.571 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C ZINC000512574559 340367508 /nfs/dbraw/zinc/36/75/08/340367508.db2.gz YVFRMKLDONQHPP-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM COCCN(Cc1cccc([O-])c1Cl)C[C@H]1CC=CCC1 ZINC000513206560 340397146 /nfs/dbraw/zinc/39/71/46/340397146.db2.gz XTNUNZLKPAHAQZ-AWEZNQCLSA-N -1 3 309.837 3.850 20 0 DHADHM CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000520835147 340457328 /nfs/dbraw/zinc/45/73/28/340457328.db2.gz ZHMSEHYOMCTBRK-AWEZNQCLSA-N -1 3 317.433 3.538 20 0 DHADHM Cc1cccc(CSCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000183080120 340486418 /nfs/dbraw/zinc/48/64/18/340486418.db2.gz NOTPOOOXDDLJRP-UHFFFAOYSA-N -1 3 301.411 3.881 20 0 DHADHM Cc1cccc2c(CCC(=O)Nc3ccc([O-])cc3F)c[nH]c21 ZINC000183246630 340487111 /nfs/dbraw/zinc/48/71/11/340487111.db2.gz CZDWKFWEJLOSEL-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM COCc1ccsc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186333344 340511410 /nfs/dbraw/zinc/51/14/10/340511410.db2.gz YKQBCHKXSGVUGW-NSHDSACASA-N -1 3 317.410 3.754 20 0 DHADHM CCOc1c(Cl)cccc1CC(=O)Nc1cc(F)ccc1[O-] ZINC000189798364 340540159 /nfs/dbraw/zinc/54/01/59/340540159.db2.gz VJYQXGJPOHEMAD-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1ccsc1Cl ZINC000191485851 340554618 /nfs/dbraw/zinc/55/46/18/340554618.db2.gz TXBNINFPJMBQLN-UHFFFAOYSA-N -1 3 301.824 3.803 20 0 DHADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000525388971 340702312 /nfs/dbraw/zinc/70/23/12/340702312.db2.gz VPQGQTQGLWERFN-VHSXEESVSA-N -1 3 307.868 3.649 20 0 DHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000123367282 340751768 /nfs/dbraw/zinc/75/17/68/340751768.db2.gz JUMYRCYRBALECV-AWEZNQCLSA-N -1 3 313.397 3.842 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC2(c3ccccc3)CC2)c1[O-] ZINC000529385238 340753705 /nfs/dbraw/zinc/75/37/05/340753705.db2.gz DKXWCNDNSFPSPZ-UHFFFAOYSA-N -1 3 309.365 3.655 20 0 DHADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000530179669 340781830 /nfs/dbraw/zinc/78/18/30/340781830.db2.gz NPBPRUKNKYXRAT-QWRGUYRKSA-N -1 3 315.335 3.779 20 0 DHADHM O=C(c1ccccc1[O-])N(Cc1ccc(Cl)cc1)C1CC1 ZINC000123456163 340785208 /nfs/dbraw/zinc/78/52/08/340785208.db2.gz NBXWCJOMMHXEKH-UHFFFAOYSA-N -1 3 301.773 3.850 20 0 DHADHM CCOc1ccc([C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000123462009 340785548 /nfs/dbraw/zinc/78/55/48/340785548.db2.gz VQIMPFNZDJSCFR-QGZVFWFLSA-N -1 3 311.381 3.768 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c([O-])c1 ZINC000126353899 340826351 /nfs/dbraw/zinc/82/63/51/340826351.db2.gz GESNWJGWHZYSAZ-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000538746014 340846666 /nfs/dbraw/zinc/84/66/66/340846666.db2.gz QMLPZTOYLIZRKQ-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CCC[C@]1(C(F)(F)F)CCCN1Cc1nc(C)ccc1[O-] ZINC000539857744 340906946 /nfs/dbraw/zinc/90/69/46/340906946.db2.gz DOOZSASQZFMKCS-CQSZACIVSA-N -1 3 302.340 3.793 20 0 DHADHM CCc1cccc(C(=O)N(CCc2nccs2)C(C)C)c1[O-] ZINC000539872940 340907759 /nfs/dbraw/zinc/90/77/59/340907759.db2.gz FPYASWCCBSEUIG-UHFFFAOYSA-N -1 3 318.442 3.504 20 0 DHADHM Cc1cccc(CSCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128721541 340910108 /nfs/dbraw/zinc/91/01/08/340910108.db2.gz MVCLCOHKGFCNGR-UHFFFAOYSA-N -1 3 305.374 3.712 20 0 DHADHM O=C(COc1ccc2ccccc2c1)Nc1cccc([O-])c1F ZINC000129640207 340978029 /nfs/dbraw/zinc/97/80/29/340978029.db2.gz HJIHVBBTKSMEPW-UHFFFAOYSA-N -1 3 311.312 3.702 20 0 DHADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000129721326 340984408 /nfs/dbraw/zinc/98/44/08/340984408.db2.gz AVCQIDXAIHZBHT-UHFFFAOYSA-N -1 3 312.369 3.610 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000542754615 341019399 /nfs/dbraw/zinc/01/93/99/341019399.db2.gz CRWGXHWBVLROJT-GFCCVEGCSA-N -1 3 323.380 3.504 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)ccc1[O-] ZINC000542785656 341020614 /nfs/dbraw/zinc/02/06/14/341020614.db2.gz ANVGQQOKNTXKGZ-CQSZACIVSA-N -1 3 309.287 3.734 20 0 DHADHM Cc1csc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)n1 ZINC000545081892 341107511 /nfs/dbraw/zinc/10/75/11/341107511.db2.gz UPARWVPQSUKLCW-UHFFFAOYSA-N -1 3 313.382 3.753 20 0 DHADHM CCCC[C@H](C(=O)[O-])N(C)Cc1ccccc1Br ZINC000132567243 341127480 /nfs/dbraw/zinc/12/74/80/341127480.db2.gz KICNJVQPFUSVQQ-CYBMUJFWSA-N -1 3 314.223 3.524 20 0 DHADHM C[C@@H](c1noc(-c2ccc3c(c2[O-])CCCC3)n1)c1ccncc1 ZINC000545800377 341141493 /nfs/dbraw/zinc/14/14/93/341141493.db2.gz GWRHRSZWBIWGAV-GFCCVEGCSA-N -1 3 321.380 3.868 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1Cl ZINC000075082042 341163910 /nfs/dbraw/zinc/16/39/10/341163910.db2.gz KTLGBDZSWNHKDZ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(C(F)(F)F)ccc1F ZINC000133742820 341184071 /nfs/dbraw/zinc/18/40/71/341184071.db2.gz OTXLWCHDVFSTBM-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-][C@](C)(CC)C(F)(F)F)cc1 ZINC000547496110 341217773 /nfs/dbraw/zinc/21/77/73/341217773.db2.gz MLJDLVBUILBDKP-CYBMUJFWSA-N -1 3 323.380 3.648 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1[nH]c2ccccc2c1Cl ZINC000547810675 341233796 /nfs/dbraw/zinc/23/37/96/341233796.db2.gz VXTFYYOOACBGDT-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(OC)ccc1[O-] ZINC000078280845 341239580 /nfs/dbraw/zinc/23/95/80/341239580.db2.gz OLZFFDSEWFHUDU-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000078360972 341241123 /nfs/dbraw/zinc/24/11/23/341241123.db2.gz BPTFCQMZPUGTDQ-UHFFFAOYSA-N -1 3 312.369 3.610 20 0 DHADHM COc1cccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1[O-] ZINC000078465251 341242631 /nfs/dbraw/zinc/24/26/31/341242631.db2.gz FVFHVCTVXZPCTQ-QGZVFWFLSA-N -1 3 323.348 3.513 20 0 DHADHM CSc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cn1 ZINC000548045124 341244504 /nfs/dbraw/zinc/24/45/04/341244504.db2.gz XJSGANZKNMKSEI-UHFFFAOYSA-N -1 3 316.411 3.507 20 0 DHADHM CSc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cn1 ZINC000548045124 341244505 /nfs/dbraw/zinc/24/45/05/341244505.db2.gz XJSGANZKNMKSEI-UHFFFAOYSA-N -1 3 316.411 3.507 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000136123243 341253104 /nfs/dbraw/zinc/25/31/04/341253104.db2.gz ZNJQLBCCJIDUKF-VHSXEESVSA-N -1 3 305.271 3.839 20 0 DHADHM CC(C)(CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000136146736 341253647 /nfs/dbraw/zinc/25/36/47/341253647.db2.gz OKNKJHSCTJJXOY-UHFFFAOYSA-N -1 3 317.816 3.682 20 0 DHADHM CC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cccs1 ZINC000136194824 341254692 /nfs/dbraw/zinc/25/46/92/341254692.db2.gz AHBUJOBBKHPFPT-ZDUSSCGKSA-N -1 3 309.818 3.917 20 0 DHADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000136284473 341256223 /nfs/dbraw/zinc/25/62/23/341256223.db2.gz SYFRJBMLGPYGLM-KFNAQCHYSA-N -1 3 307.821 3.768 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cccc(F)c2OCC)s1 ZINC000079691349 341263788 /nfs/dbraw/zinc/26/37/88/341263788.db2.gz CNAFWRFBOBESEA-UHFFFAOYSA-N -1 3 323.393 3.671 20 0 DHADHM O=C(c1cc(F)cc2[n-]nnc21)N(CC1CCC1)c1ccccc1 ZINC000548862483 341278760 /nfs/dbraw/zinc/27/87/60/341278760.db2.gz BRHILASSJNZNFM-UHFFFAOYSA-N -1 3 324.359 3.544 20 0 DHADHM O=C(c1cc(F)cc2nn[n-]c21)N(CC1CCC1)c1ccccc1 ZINC000548862483 341278761 /nfs/dbraw/zinc/27/87/61/341278761.db2.gz BRHILASSJNZNFM-UHFFFAOYSA-N -1 3 324.359 3.544 20 0 DHADHM O=C(c1cc(F)cc2n[n-]nc21)N(CC1CCC1)c1ccccc1 ZINC000548862483 341278762 /nfs/dbraw/zinc/27/87/62/341278762.db2.gz BRHILASSJNZNFM-UHFFFAOYSA-N -1 3 324.359 3.544 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])n[nH]1 ZINC000081458566 341291546 /nfs/dbraw/zinc/29/15/46/341291546.db2.gz KGVOLCWCCGNPBM-UHFFFAOYSA-N -1 3 313.279 3.510 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cccnc1 ZINC000081459919 341291674 /nfs/dbraw/zinc/29/16/74/341291674.db2.gz MJIVGXSEMWBSAD-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000549464080 341295166 /nfs/dbraw/zinc/29/51/66/341295166.db2.gz GMAUXYKNSOWPAT-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM C[C@H]1CCN(C(=O)[C@H]2CCc3cccc(O)c32)c2c([O-])cccc21 ZINC000551960955 341356250 /nfs/dbraw/zinc/35/62/50/341356250.db2.gz DZPMZUUFUHQMMW-WFASDCNBSA-N -1 3 323.392 3.668 20 0 DHADHM COc1c2ccccc2[nH]c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000552114884 341370540 /nfs/dbraw/zinc/37/05/40/341370540.db2.gz BVMANHZEHFTRDC-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C[C@H]1C ZINC000248835735 341388239 /nfs/dbraw/zinc/38/82/39/341388239.db2.gz GRGGPBKQLQYFNO-GMTAPVOTSA-N -1 3 315.335 3.966 20 0 DHADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1c([O-])cccc1Cl)C2 ZINC000552432421 341393370 /nfs/dbraw/zinc/39/33/70/341393370.db2.gz JQVPVIAHOYXEPI-OAHLLOKOSA-N -1 3 317.772 3.605 20 0 DHADHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1Cl ZINC000552435679 341393631 /nfs/dbraw/zinc/39/36/31/341393631.db2.gz UPLOGMIJWDFDTL-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000089399932 341404119 /nfs/dbraw/zinc/40/41/19/341404119.db2.gz HGBSAYUNJDAHSX-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM COc1cc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)ccc1[O-] ZINC000553526271 341431235 /nfs/dbraw/zinc/43/12/35/341431235.db2.gz QFCPATCIBUVOTF-MRXNPFEDSA-N -1 3 311.381 3.517 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3ncco3)c2)ccc1[O-] ZINC000553532407 341431398 /nfs/dbraw/zinc/43/13/98/341431398.db2.gz PAFRRINAVZWVOG-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM c1csc(-c2csc([N-]c3ncnc4ncccc34)n2)c1 ZINC000163098124 341493482 /nfs/dbraw/zinc/49/34/82/341493482.db2.gz KASOBRYTTYIPOT-UHFFFAOYSA-N -1 3 311.395 3.953 20 0 DHADHM O=C(/C=C\c1cncc([O-])c1)N1CCCCC[C@@H]1c1ccco1 ZINC000255039899 341500520 /nfs/dbraw/zinc/50/05/20/341500520.db2.gz VRUZCAYVAAJZCP-XITLMJRVSA-N -1 3 312.369 3.537 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](C)CCCC(F)(F)F)c1[O-] ZINC000565340316 341524458 /nfs/dbraw/zinc/52/44/58/341524458.db2.gz RQRFJRKYMDQSID-JTQLQIEISA-N -1 3 303.324 3.806 20 0 DHADHM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153435835 341540187 /nfs/dbraw/zinc/54/01/87/341540187.db2.gz OUSMKQHDXYLHQO-SECBINFHSA-N -1 3 308.790 3.560 20 0 DHADHM Cc1cncc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000566510144 341560402 /nfs/dbraw/zinc/56/04/02/341560402.db2.gz KHQINIJXHUQOLU-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM CCCCn1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1 ZINC000567431459 341604320 /nfs/dbraw/zinc/60/43/20/341604320.db2.gz LSASYRBSPGUSFD-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000568538404 341674366 /nfs/dbraw/zinc/67/43/66/341674366.db2.gz LWKLZAMMRSKTBD-OAHLLOKOSA-N -1 3 305.736 3.602 20 0 DHADHM CC(C)c1cc(C(=O)N2CCCO[C@@H](C)C2)c([O-])c(C(C)C)c1 ZINC000171276090 341775052 /nfs/dbraw/zinc/77/50/52/341775052.db2.gz NBLNCGSRWWYVBQ-AWEZNQCLSA-N -1 3 319.445 3.890 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1COc2ccccc21 ZINC000175820716 341847101 /nfs/dbraw/zinc/84/71/01/341847101.db2.gz LTFIWCGHWVXMTP-LLVKDONJSA-N -1 3 323.270 3.526 20 0 DHADHM COC1(c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCC1 ZINC000580680720 341896571 /nfs/dbraw/zinc/89/65/71/341896571.db2.gz MFYXWHNPYITGFO-UHFFFAOYSA-N -1 3 309.778 3.958 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccn(C(C)C)c2C)c1[O-] ZINC000577222379 341898443 /nfs/dbraw/zinc/89/84/43/341898443.db2.gz LKNRUBAVJLBMRK-UHFFFAOYSA-N -1 3 300.358 3.538 20 0 DHADHM O=C([O-])CCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000577354659 341905529 /nfs/dbraw/zinc/90/55/29/341905529.db2.gz CLKSQTQZNIAQED-UHFFFAOYSA-N -1 3 307.777 3.945 20 0 DHADHM CC(C)OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000174036546 519776680 /nfs/dbraw/zinc/77/66/80/519776680.db2.gz UKHFIENWNDWDAN-UHFFFAOYSA-N -1 3 300.383 3.577 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC3(CCOCC3)C2)c([O-])c1 ZINC000266542202 519834648 /nfs/dbraw/zinc/83/46/48/519834648.db2.gz KLODUKYIGAAVON-UHFFFAOYSA-N -1 3 317.429 3.548 20 0 DHADHM CC(C)c1nc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cs1 ZINC000182671722 519859929 /nfs/dbraw/zinc/85/99/29/519859929.db2.gz VVBVFRKXXADTSO-UHFFFAOYSA-N -1 3 319.434 3.616 20 0 DHADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1nc(C)cs1 ZINC000182873537 520095262 /nfs/dbraw/zinc/09/52/62/520095262.db2.gz FSDJAKCXOUSHFN-UHFFFAOYSA-N -1 3 316.426 3.703 20 0 DHADHM CC1(C)CC[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000337193278 520392930 /nfs/dbraw/zinc/39/29/30/520392930.db2.gz YDNOHXTVIFLYHB-OAHLLOKOSA-N -1 3 320.396 3.500 20 0 DHADHM CCN(c1ccc(C(=O)Nc2ccc(C)cc2[O-])cn1)C(C)C ZINC000338044294 521484531 /nfs/dbraw/zinc/48/45/31/521484531.db2.gz KRYNAQWYZQNXPG-UHFFFAOYSA-N -1 3 313.401 3.583 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000284207727 534633820 /nfs/dbraw/zinc/63/38/20/534633820.db2.gz LNKNOYOOLGJYDA-JTQLQIEISA-N -1 3 301.789 3.848 20 0 DHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000156576213 523466908 /nfs/dbraw/zinc/46/69/08/523466908.db2.gz ZIWCHEHOZKTCTQ-VIFPVBQESA-N -1 3 321.402 3.585 20 0 DHADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)c1c(F)cccc1F ZINC000182949946 524122937 /nfs/dbraw/zinc/12/29/37/524122937.db2.gz NGTXGISQCFFFJY-LLVKDONJSA-N -1 3 317.335 3.753 20 0 DHADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265512675 524446948 /nfs/dbraw/zinc/44/69/48/524446948.db2.gz KQOBVZOIMYQVQR-LBPRGKRZSA-N -1 3 300.402 3.885 20 0 DHADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000337294202 524470865 /nfs/dbraw/zinc/47/08/65/524470865.db2.gz HRYDBBMFBFPGAZ-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM Cc1cc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c(C)s1 ZINC000156405025 525508652 /nfs/dbraw/zinc/50/86/52/525508652.db2.gz GSNKTWMADWDXHN-JTQLQIEISA-N -1 3 322.405 3.770 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)c1[O-] ZINC000163422859 525833548 /nfs/dbraw/zinc/83/35/48/525833548.db2.gz DMQLRNGKHRICSG-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM Cc1noc(C2CCC(NCc3cccc([O-])c3Cl)CC2)n1 ZINC000339294460 526586089 /nfs/dbraw/zinc/58/60/89/526586089.db2.gz RGHXDQZVMOXSDF-UHFFFAOYSA-N -1 3 321.808 3.553 20 0 DHADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cccc(C(C)C)c2)c1C ZINC000267077754 526639735 /nfs/dbraw/zinc/63/97/35/526639735.db2.gz JNMYVZZMFQMIKD-ZDUSSCGKSA-N -1 3 302.374 3.821 20 0 DHADHM O=C(NCc1ccc([O-])c(Br)c1)C1=CCCCCC1 ZINC000131841504 526684802 /nfs/dbraw/zinc/68/48/02/526684802.db2.gz POKRXOSNFGLHTO-UHFFFAOYSA-N -1 3 324.218 3.661 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000339958940 527113332 /nfs/dbraw/zinc/11/33/32/527113332.db2.gz AQCJJLYAWWQYRC-ZDUSSCGKSA-N -1 3 315.756 3.744 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(Cl)s1 ZINC000182674247 527529060 /nfs/dbraw/zinc/52/90/60/527529060.db2.gz FXOKBMBXLVQEHO-UHFFFAOYSA-N -1 3 310.810 3.751 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccsc2Cl)no1 ZINC000275836654 534989717 /nfs/dbraw/zinc/98/97/17/534989717.db2.gz MCKJCQAKRBUTBO-UHFFFAOYSA-N -1 3 314.794 3.957 20 0 DHADHM CC[C@@](C)(NC(=O)c1ccc([O-])c(C)c1)c1nc(C)cs1 ZINC000272429660 535998540 /nfs/dbraw/zinc/99/85/40/535998540.db2.gz LFGJHCOHDXPGJC-MRXNPFEDSA-N -1 3 304.415 3.521 20 0 DHADHM Fc1cc(OCc2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737651334 598825239 /nfs/dbraw/zinc/82/52/39/598825239.db2.gz JUFOJABYMMOREJ-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1cc(OCc2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737651334 598825240 /nfs/dbraw/zinc/82/52/40/598825240.db2.gz JUFOJABYMMOREJ-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM CC(C)CCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735797401 598938104 /nfs/dbraw/zinc/93/81/04/598938104.db2.gz OPGVYEXGSSMQQG-JTQLQIEISA-N -1 3 308.817 3.542 20 0 DHADHM CC(C)CCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735797401 598938106 /nfs/dbraw/zinc/93/81/06/598938106.db2.gz OPGVYEXGSSMQQG-JTQLQIEISA-N -1 3 308.817 3.542 20 0 DHADHM Cc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000737366666 598980128 /nfs/dbraw/zinc/98/01/28/598980128.db2.gz VGHXAONKQFUNRX-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000737366666 598980130 /nfs/dbraw/zinc/98/01/30/598980130.db2.gz VGHXAONKQFUNRX-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000736193735 599065465 /nfs/dbraw/zinc/06/54/65/599065465.db2.gz SDVVPLMPIOBUBW-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000736193735 599065468 /nfs/dbraw/zinc/06/54/68/599065468.db2.gz SDVVPLMPIOBUBW-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737178986 599233000 /nfs/dbraw/zinc/23/30/00/599233000.db2.gz GRJAWXKRLYTFBI-ONGXEEELSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737178986 599233003 /nfs/dbraw/zinc/23/30/03/599233003.db2.gz GRJAWXKRLYTFBI-ONGXEEELSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737178979 599233358 /nfs/dbraw/zinc/23/33/58/599233358.db2.gz GRJAWXKRLYTFBI-GXSJLCMTSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737178979 599233360 /nfs/dbraw/zinc/23/33/60/599233360.db2.gz GRJAWXKRLYTFBI-GXSJLCMTSA-N -1 3 323.853 3.606 20 0 DHADHM CCc1nc(C)c([C@@H](C)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000818343573 597244302 /nfs/dbraw/zinc/24/43/02/597244302.db2.gz GZKYBGAHCIDDSI-SNVBAGLBSA-N -1 3 304.415 3.563 20 0 DHADHM CCSc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821460809 607316785 /nfs/dbraw/zinc/31/67/85/607316785.db2.gz DVSLBJWAUXIJLQ-UHFFFAOYSA-N -1 3 311.414 3.591 20 0 DHADHM CCSc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821460809 607316786 /nfs/dbraw/zinc/31/67/86/607316786.db2.gz DVSLBJWAUXIJLQ-UHFFFAOYSA-N -1 3 311.414 3.591 20 0 DHADHM O=C([O-])CCCCN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000821521552 597798903 /nfs/dbraw/zinc/79/89/03/597798903.db2.gz JEHVIFRIFMVBKR-QGZVFWFLSA-N -1 3 318.804 3.669 20 0 DHADHM COc1cccc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737140105 599290534 /nfs/dbraw/zinc/29/05/34/599290534.db2.gz CKSLPGRHUNQPST-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737140105 599290536 /nfs/dbraw/zinc/29/05/36/599290536.db2.gz CKSLPGRHUNQPST-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM O=C([O-])c1cccc(CNCc2cnc(-c3ccccc3)s2)c1 ZINC000683176714 598194149 /nfs/dbraw/zinc/19/41/49/598194149.db2.gz OXKDCNXDWOWVRO-UHFFFAOYSA-N -1 3 324.405 3.798 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737419744 598240686 /nfs/dbraw/zinc/24/06/86/598240686.db2.gz BERUUARNHZQCBQ-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737419744 598240687 /nfs/dbraw/zinc/24/06/87/598240687.db2.gz BERUUARNHZQCBQ-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(OC(C)C)cc1 ZINC000737222222 598395369 /nfs/dbraw/zinc/39/53/69/598395369.db2.gz VBBMNCAVSWZOSR-UHFFFAOYSA-N -1 3 324.384 3.541 20 0 DHADHM CCCCOc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000736463566 598522851 /nfs/dbraw/zinc/52/28/51/598522851.db2.gz PNBHWOGUFALYGJ-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM CCCCOc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000736463566 598522852 /nfs/dbraw/zinc/52/28/52/598522852.db2.gz PNBHWOGUFALYGJ-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1nc2ccccc2s1 ZINC000737222350 598551170 /nfs/dbraw/zinc/55/11/70/598551170.db2.gz YLNRZRCMMOQSOQ-UHFFFAOYSA-N -1 3 309.354 3.577 20 0 DHADHM Cc1cc(OCc2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000737280851 598643265 /nfs/dbraw/zinc/64/32/65/598643265.db2.gz UHINXDZAAGMYTH-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1cc(OCc2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000737280851 598643267 /nfs/dbraw/zinc/64/32/67/598643267.db2.gz UHINXDZAAGMYTH-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM CC(C)c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000735932705 598673878 /nfs/dbraw/zinc/67/38/78/598673878.db2.gz QANJUYPQRQSSGH-UHFFFAOYSA-N -1 3 312.348 3.708 20 0 DHADHM CC(C)c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000735932705 598673880 /nfs/dbraw/zinc/67/38/80/598673880.db2.gz QANJUYPQRQSSGH-UHFFFAOYSA-N -1 3 312.348 3.708 20 0 DHADHM Fc1ccc(CSCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000737650313 598695567 /nfs/dbraw/zinc/69/55/67/598695567.db2.gz QOFZYGAIAIEYPP-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000737650313 598695568 /nfs/dbraw/zinc/69/55/68/598695568.db2.gz QOFZYGAIAIEYPP-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737421826 598774825 /nfs/dbraw/zinc/77/48/25/598774825.db2.gz MMQQAUXTHHAESJ-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737421826 598774826 /nfs/dbraw/zinc/77/48/26/598774826.db2.gz MMQQAUXTHHAESJ-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM c1sc(Cc2ccccc2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738432517 598778721 /nfs/dbraw/zinc/77/87/21/598778721.db2.gz HYHDPVSPKVBXDF-UHFFFAOYSA-N -1 3 319.393 3.581 20 0 DHADHM c1sc(Cc2ccccc2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738432517 598778724 /nfs/dbraw/zinc/77/87/24/598778724.db2.gz HYHDPVSPKVBXDF-UHFFFAOYSA-N -1 3 319.393 3.581 20 0 DHADHM CCCN(c1ncccc1-c1nnn[n-]1)[C@H](CC)c1ccccc1 ZINC000736481088 598815430 /nfs/dbraw/zinc/81/54/30/598815430.db2.gz SWAVUSKZFARDCV-MRXNPFEDSA-N -1 3 322.416 3.629 20 0 DHADHM CCCN(c1ncccc1-c1nn[n-]n1)[C@H](CC)c1ccccc1 ZINC000736481088 598815432 /nfs/dbraw/zinc/81/54/32/598815432.db2.gz SWAVUSKZFARDCV-MRXNPFEDSA-N -1 3 322.416 3.629 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820253194 599296560 /nfs/dbraw/zinc/29/65/60/599296560.db2.gz GTDBMXGEUAWRLT-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820253194 599296562 /nfs/dbraw/zinc/29/65/62/599296562.db2.gz GTDBMXGEUAWRLT-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](Nc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137456 599323292 /nfs/dbraw/zinc/32/32/92/599323292.db2.gz MQZOEAGLNUGVDT-ZDUSSCGKSA-N -1 3 319.412 3.919 20 0 DHADHM C[C@H](Nc1cccc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137456 599323293 /nfs/dbraw/zinc/32/32/93/599323293.db2.gz MQZOEAGLNUGVDT-ZDUSSCGKSA-N -1 3 319.412 3.919 20 0 DHADHM Cc1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822240218 599389355 /nfs/dbraw/zinc/38/93/55/599389355.db2.gz XSDDBWJLLRJBJK-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822240218 599389357 /nfs/dbraw/zinc/38/93/57/599389357.db2.gz XSDDBWJLLRJBJK-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CCc3ccccc32)c1 ZINC000737570474 599399998 /nfs/dbraw/zinc/39/99/98/599399998.db2.gz IBNDTFVHMVLEEH-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CCc3ccccc32)c1 ZINC000737570474 599400001 /nfs/dbraw/zinc/40/00/01/599400001.db2.gz IBNDTFVHMVLEEH-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736188872 599521574 /nfs/dbraw/zinc/52/15/74/599521574.db2.gz MCEVWMQYMWFNMH-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188872 599521577 /nfs/dbraw/zinc/52/15/77/599521577.db2.gz MCEVWMQYMWFNMH-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM Cc1ccc(C)n1C1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000738578655 599714377 /nfs/dbraw/zinc/71/43/77/599714377.db2.gz HFNKAVDCVSQGFB-CQSZACIVSA-N -1 3 316.401 3.794 20 0 DHADHM O=C([O-])c1coc(CN2CCC(CCc3ccccc3)CC2)c1 ZINC000570852704 599845573 /nfs/dbraw/zinc/84/55/73/599845573.db2.gz XPIJUQRHSOKYGI-UHFFFAOYSA-N -1 3 313.397 3.823 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCO[C@H](c2ccccc2)C1 ZINC000736718626 599893953 /nfs/dbraw/zinc/89/39/53/599893953.db2.gz RTZMGELHXBXBRT-GUYCJALGSA-N -1 3 315.369 3.502 20 0 DHADHM O=C([O-])C1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000037562187 600008229 /nfs/dbraw/zinc/00/82/29/600008229.db2.gz SUTIMACVNBCECM-UHFFFAOYSA-N -1 3 322.455 3.605 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1ccsc1 ZINC000517575628 600085214 /nfs/dbraw/zinc/08/52/14/600085214.db2.gz KFLKJKGFFBOJSI-HNNXBMFYSA-N -1 3 305.374 3.923 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCCCC[C@H]1c1ccco1 ZINC000738964248 600263275 /nfs/dbraw/zinc/26/32/75/600263275.db2.gz SBMBITQZSUTTQF-AWEZNQCLSA-N -1 3 303.358 3.997 20 0 DHADHM O=C([O-])c1coc(CN2CCC(Cc3ccccc3F)CC2)c1 ZINC000514943528 600337984 /nfs/dbraw/zinc/33/79/84/600337984.db2.gz GSVFRTMFWWJMMR-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000739510055 600436078 /nfs/dbraw/zinc/43/60/78/600436078.db2.gz XKMDMPNWJXNAJF-CVEARBPZSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1ccc([C@H]2CCCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738583750 600442793 /nfs/dbraw/zinc/44/27/93/600442793.db2.gz RARGYLFWHJFRLJ-CQSZACIVSA-N -1 3 303.358 3.997 20 0 DHADHM CCC[C@@](C)(NCc1csc(Nc2ccccc2)n1)C(=O)[O-] ZINC000736962373 600462372 /nfs/dbraw/zinc/46/23/72/600462372.db2.gz IGAOROQRDJKXDJ-MRXNPFEDSA-N -1 3 319.430 3.620 20 0 DHADHM CCC[C@](C)(NCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000314222294 600627112 /nfs/dbraw/zinc/62/71/12/600627112.db2.gz BBIDSCOIIRHKNZ-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM CC(C)[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826717617 600983392 /nfs/dbraw/zinc/98/33/92/600983392.db2.gz UECYPTSDURBGGW-DLBZAZTESA-N -1 3 301.361 3.938 20 0 DHADHM C[C@H]1CCN(Cc2occc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000576950942 601118179 /nfs/dbraw/zinc/11/81/79/601118179.db2.gz UHCPSMZQBOGYDU-MEDUHNTESA-N -1 3 303.333 3.700 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000828804147 601260806 /nfs/dbraw/zinc/26/08/06/601260806.db2.gz HGRUEDKURGGAHH-UHFFFAOYSA-N -1 3 308.403 3.526 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(OCCC(C)C)CC1 ZINC000830369615 601413428 /nfs/dbraw/zinc/41/34/28/601413428.db2.gz PPMVLCRNPRESNL-UHFFFAOYSA-N -1 3 323.433 3.567 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@]1(C)CCCc2ccccc21 ZINC000830374833 601418466 /nfs/dbraw/zinc/41/84/66/601418466.db2.gz HPYUCAAKDFSGIF-LJQANCHMSA-N -1 3 313.397 3.882 20 0 DHADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832921663 601500225 /nfs/dbraw/zinc/50/02/25/601500225.db2.gz UMLQJYQYCBRLJT-BZNIZROVSA-N -1 3 305.324 3.750 20 0 DHADHM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])sc2C)o1 ZINC000652415989 601640128 /nfs/dbraw/zinc/64/01/28/601640128.db2.gz XJKZTTORVLJCOX-ZDUSSCGKSA-N -1 3 305.399 3.993 20 0 DHADHM CN(Cc1cccc(C(=O)[O-])c1)Cc1ccccc1N1CCCC1 ZINC000263478929 601897077 /nfs/dbraw/zinc/89/70/77/601897077.db2.gz NJBDMFMSSMJYEQ-UHFFFAOYSA-N -1 3 324.424 3.617 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)s1 ZINC000833313566 601944245 /nfs/dbraw/zinc/94/42/45/601944245.db2.gz YTTSRGHSEMOZCP-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2F)n1 ZINC000828672111 602222210 /nfs/dbraw/zinc/22/22/10/602222210.db2.gz MVYSCBOZBYNATR-INIZCTEOSA-N -1 3 322.405 3.682 20 0 DHADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000739025471 602444761 /nfs/dbraw/zinc/44/47/61/602444761.db2.gz KBSHREUVQSDVKJ-RYUDHWBXSA-N -1 3 310.825 3.769 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(NC(=O)[O-])nc2)C2CC2)cc1 ZINC000830262346 603536127 /nfs/dbraw/zinc/53/61/27/603536127.db2.gz ODNKVVKTBANEIU-KRWDZBQOSA-N -1 3 311.385 3.721 20 0 DHADHM Cc1ccccc1[C@@H](NCc1ccc(NC(=O)[O-])nc1)C1CC1 ZINC000830559928 603552592 /nfs/dbraw/zinc/55/25/92/603552592.db2.gz POTNXELITDCQOO-KRWDZBQOSA-N -1 3 311.385 3.721 20 0 DHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000827718604 604292578 /nfs/dbraw/zinc/29/25/78/604292578.db2.gz WTBGYVPCZKCSNI-GXSJLCMTSA-N -1 3 317.216 3.786 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1ccccc1F)c1ccccc1 ZINC000826106153 604628136 /nfs/dbraw/zinc/62/81/36/604628136.db2.gz TUEFSUTZIXLOMR-MRXNPFEDSA-N -1 3 301.361 3.767 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000826106005 604628611 /nfs/dbraw/zinc/62/86/11/604628611.db2.gz PBHVKAIGLNKJGP-OAHLLOKOSA-N -1 3 318.804 3.677 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000163784164 604927481 /nfs/dbraw/zinc/92/74/81/604927481.db2.gz KDHCZMYGZHXIBW-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM CCc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000833670517 605003143 /nfs/dbraw/zinc/00/31/43/605003143.db2.gz NMZXVATXNCOQJC-AWEZNQCLSA-N -1 3 313.397 3.563 20 0 DHADHM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1OC ZINC000833644020 605079599 /nfs/dbraw/zinc/07/95/99/605079599.db2.gz KKDCWRRDOKGMNT-CYBMUJFWSA-N -1 3 305.399 3.696 20 0 DHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccsc1 ZINC000825503352 605118670 /nfs/dbraw/zinc/11/86/70/605118670.db2.gz RGJNGEIKQYHGIZ-RYUDHWBXSA-N -1 3 304.415 3.928 20 0 DHADHM O=C([O-])c1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000833783504 605139599 /nfs/dbraw/zinc/13/95/99/605139599.db2.gz LVLLKIAQUFXVQF-UHFFFAOYSA-N -1 3 301.773 3.817 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000135050320 605547889 /nfs/dbraw/zinc/54/78/89/605547889.db2.gz LJJXBXVTEWFHJO-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1 ZINC000833606484 605700925 /nfs/dbraw/zinc/70/09/25/605700925.db2.gz QFKPFZAXJOFBHS-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM CC(C)c1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820192156 606028498 /nfs/dbraw/zinc/02/84/98/606028498.db2.gz FPBXEVLUZGQECE-GFCCVEGCSA-N -1 3 308.389 3.558 20 0 DHADHM CC(C)c1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820192156 606028503 /nfs/dbraw/zinc/02/85/03/606028503.db2.gz FPBXEVLUZGQECE-GFCCVEGCSA-N -1 3 308.389 3.558 20 0 DHADHM CC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820925741 606103306 /nfs/dbraw/zinc/10/33/06/606103306.db2.gz LDMTUZUTOVKNNY-VIFPVBQESA-N -1 3 320.809 3.540 20 0 DHADHM CC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820925741 606103308 /nfs/dbraw/zinc/10/33/08/606103308.db2.gz LDMTUZUTOVKNNY-VIFPVBQESA-N -1 3 320.809 3.540 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820825911 606137630 /nfs/dbraw/zinc/13/76/30/606137630.db2.gz HBTNJPSAYYTCDF-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820825911 606137632 /nfs/dbraw/zinc/13/76/32/606137632.db2.gz HBTNJPSAYYTCDF-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821051130 606264442 /nfs/dbraw/zinc/26/44/42/606264442.db2.gz YMGZYSZKSQOHOG-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821051130 606264444 /nfs/dbraw/zinc/26/44/44/606264444.db2.gz YMGZYSZKSQOHOG-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM O=C(CCCSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822958804 606326271 /nfs/dbraw/zinc/32/62/71/606326271.db2.gz HZCMSCGYFAPRLN-UHFFFAOYSA-N -1 3 324.409 3.622 20 0 DHADHM O=C(CCCSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822958804 606326273 /nfs/dbraw/zinc/32/62/73/606326273.db2.gz HZCMSCGYFAPRLN-UHFFFAOYSA-N -1 3 324.409 3.622 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820555604 606326562 /nfs/dbraw/zinc/32/65/62/606326562.db2.gz NPTWKENFCLUWIK-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820555604 606326563 /nfs/dbraw/zinc/32/65/63/606326563.db2.gz NPTWKENFCLUWIK-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM CC(C)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820197092 606439449 /nfs/dbraw/zinc/43/94/49/606439449.db2.gz GJRSNANKYYNZAZ-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820197092 606439451 /nfs/dbraw/zinc/43/94/51/606439451.db2.gz GJRSNANKYYNZAZ-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000820556108 607009582 /nfs/dbraw/zinc/00/95/82/607009582.db2.gz RLVWFHUEUVRRSX-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000820556108 607009584 /nfs/dbraw/zinc/00/95/84/607009584.db2.gz RLVWFHUEUVRRSX-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM CSc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821984016 607015954 /nfs/dbraw/zinc/01/59/54/607015954.db2.gz LGMWSHKSZWSILE-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM CSc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821984016 607015955 /nfs/dbraw/zinc/01/59/55/607015955.db2.gz LGMWSHKSZWSILE-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000826288722 607844818 /nfs/dbraw/zinc/84/48/18/607844818.db2.gz UFNASVPCXLEONX-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000826288722 607844819 /nfs/dbraw/zinc/84/48/19/607844819.db2.gz UFNASVPCXLEONX-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)C(CC)CC)s1 ZINC000825694441 608061292 /nfs/dbraw/zinc/06/12/92/608061292.db2.gz PYUFSZLBPFVFKB-VIFPVBQESA-N -1 3 321.450 3.501 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)C(CC)CC)s1 ZINC000825694441 608061293 /nfs/dbraw/zinc/06/12/93/608061293.db2.gz PYUFSZLBPFVFKB-VIFPVBQESA-N -1 3 321.450 3.501 20 0 DHADHM Fc1ccccc1CSCc1cccc(-c2nnn[n-]2)c1F ZINC000826378328 608404760 /nfs/dbraw/zinc/40/47/60/608404760.db2.gz FDSCGFDQZLQASK-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccccc1CSCc1cccc(-c2nn[n-]n2)c1F ZINC000826378328 608404761 /nfs/dbraw/zinc/40/47/61/608404761.db2.gz FDSCGFDQZLQASK-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@H](Nc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657603 609162162 /nfs/dbraw/zinc/16/21/62/609162162.db2.gz RPMKGUCNKFJDSL-LBPRGKRZSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@H](Nc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657603 609162164 /nfs/dbraw/zinc/16/21/64/609162164.db2.gz RPMKGUCNKFJDSL-LBPRGKRZSA-N -1 3 305.385 3.529 20 0 DHADHM CSc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826230972 609163466 /nfs/dbraw/zinc/16/34/66/609163466.db2.gz RBFFWYDYKLNFMB-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826230972 609163467 /nfs/dbraw/zinc/16/34/67/609163467.db2.gz RBFFWYDYKLNFMB-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM CC(C)Oc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824328841 609163931 /nfs/dbraw/zinc/16/39/31/609163931.db2.gz BRHOEIBGQSVZRL-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824328841 609163932 /nfs/dbraw/zinc/16/39/32/609163932.db2.gz BRHOEIBGQSVZRL-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826321155 609249179 /nfs/dbraw/zinc/24/91/79/609249179.db2.gz SEYPYLXZVFLMQP-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826321155 609249181 /nfs/dbraw/zinc/24/91/81/609249181.db2.gz SEYPYLXZVFLMQP-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM CCCOc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342583 609252958 /nfs/dbraw/zinc/25/29/58/609252958.db2.gz VAUHYCZRJDWQRN-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342583 609252959 /nfs/dbraw/zinc/25/29/59/609252959.db2.gz VAUHYCZRJDWQRN-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825717194 609253004 /nfs/dbraw/zinc/25/30/04/609253004.db2.gz IVWDKXSVKMLTLQ-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825717194 609253006 /nfs/dbraw/zinc/25/30/06/609253006.db2.gz IVWDKXSVKMLTLQ-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000826291433 609267682 /nfs/dbraw/zinc/26/76/82/609267682.db2.gz FPWCMTYNALPHSG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000826291433 609267683 /nfs/dbraw/zinc/26/76/83/609267683.db2.gz FPWCMTYNALPHSG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1c(F)cccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826240779 609274007 /nfs/dbraw/zinc/27/40/07/609274007.db2.gz HGMXQUATIMCFJH-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1c(F)cccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826240779 609274005 /nfs/dbraw/zinc/27/40/05/609274005.db2.gz HGMXQUATIMCFJH-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826299431 609348199 /nfs/dbraw/zinc/34/81/99/609348199.db2.gz FEAWQQVLLFYACK-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000826299431 609348200 /nfs/dbraw/zinc/34/82/00/609348200.db2.gz FEAWQQVLLFYACK-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM c1sc2ccccc2c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826523337 609441230 /nfs/dbraw/zinc/44/12/30/609441230.db2.gz JDHUQXFVFIEJRG-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1sc2ccccc2c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826523337 609441232 /nfs/dbraw/zinc/44/12/32/609441232.db2.gz JDHUQXFVFIEJRG-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc2cc(F)ccc2o1 ZINC000826278763 609479430 /nfs/dbraw/zinc/47/94/30/609479430.db2.gz RDPDRGOCVZYFBS-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc2cc(F)ccc2o1 ZINC000826278763 609479433 /nfs/dbraw/zinc/47/94/33/609479433.db2.gz RDPDRGOCVZYFBS-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1c(NCc2cscc2Cl)cccc1-c1nn[n-]n1 ZINC000826242912 609486517 /nfs/dbraw/zinc/48/65/17/609486517.db2.gz LSRGWBDLIUZEPR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1c(NCc2cscc2Cl)cccc1-c1nnn[n-]1 ZINC000826242912 609486516 /nfs/dbraw/zinc/48/65/16/609486516.db2.gz LSRGWBDLIUZEPR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736192882 944758556 /nfs/dbraw/zinc/75/85/56/944758556.db2.gz NYGDXJAMEBIKCZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736192882 944758557 /nfs/dbraw/zinc/75/85/57/944758557.db2.gz NYGDXJAMEBIKCZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM CCCc1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821143755 945641940 /nfs/dbraw/zinc/64/19/40/945641940.db2.gz XGPBCRLSJAGIRT-UHFFFAOYSA-N -1 3 317.443 3.568 20 0 DHADHM CCCc1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821143755 945641942 /nfs/dbraw/zinc/64/19/42/945641942.db2.gz XGPBCRLSJAGIRT-UHFFFAOYSA-N -1 3 317.443 3.568 20 0 DHADHM CC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001573556915 946931051 /nfs/dbraw/zinc/93/10/51/946931051.db2.gz ZIKLOHKENUVCMV-UHFFFAOYSA-N -1 3 324.409 3.670 20 0 DHADHM CC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001573556915 946931058 /nfs/dbraw/zinc/93/10/58/946931058.db2.gz ZIKLOHKENUVCMV-UHFFFAOYSA-N -1 3 324.409 3.670 20 0 DHADHM Cc1cnc(CSc2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826318248 947931463 /nfs/dbraw/zinc/93/14/63/947931463.db2.gz ACDMRPATIYQQAA-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1cnc(CSc2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826318248 947931468 /nfs/dbraw/zinc/93/14/68/947931468.db2.gz ACDMRPATIYQQAA-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000050925704 948921598 /nfs/dbraw/zinc/92/15/98/948921598.db2.gz NLBSXBUKZOLHSA-GFCCVEGCSA-N -1 3 304.415 3.516 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1nc2ccccc2s1 ZINC000050925706 948922319 /nfs/dbraw/zinc/92/23/19/948922319.db2.gz NLBSXBUKZOLHSA-LBPRGKRZSA-N -1 3 304.415 3.516 20 0 DHADHM CC(C)(C)CCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001573845300 950220734 /nfs/dbraw/zinc/22/07/34/950220734.db2.gz VTZUOQKZWZPZNF-UHFFFAOYSA-N -1 3 320.368 3.518 20 0 DHADHM CC(C)(C)CCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001573845300 950220758 /nfs/dbraw/zinc/22/07/58/950220758.db2.gz VTZUOQKZWZPZNF-UHFFFAOYSA-N -1 3 320.368 3.518 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1nc2ccc(F)cc2s1 ZINC001595012607 951265381 /nfs/dbraw/zinc/26/53/81/951265381.db2.gz OPDAXNWOSKVXEU-GFCCVEGCSA-N -1 3 322.405 3.655 20 0 DHADHM C[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C(=O)[O-] ZINC000567352077 953631984 /nfs/dbraw/zinc/63/19/84/953631984.db2.gz NXPBFNFDCNXBQQ-BBRMVZONSA-N -1 3 315.369 3.615 20 0 DHADHM CSCc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000294633475 1013146259 /nfs/dbraw/zinc/14/62/59/1013146259.db2.gz JUTSQZXSBFAYNY-UHFFFAOYSA-N -1 3 309.381 3.823 20 0 DHADHM COc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])s2)cc1F ZINC000903693510 956876784 /nfs/dbraw/zinc/87/67/84/956876784.db2.gz XOVSRDXXKHRSPV-UHFFFAOYSA-N -1 3 323.389 3.619 20 0 DHADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccccc1Cl ZINC000043594179 957438900 /nfs/dbraw/zinc/43/89/00/957438900.db2.gz UPBNKKABIYJWLV-MRXNPFEDSA-N -1 3 301.773 3.524 20 0 DHADHM C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779687 957986241 /nfs/dbraw/zinc/98/62/41/957986241.db2.gz QFMRNHZEJQVFCI-LKFCYVNXSA-N -1 3 302.201 3.851 20 0 DHADHM CN(CCC(F)(F)F)Cc1c2ccccc2sc1C(=O)[O-] ZINC000088422947 958057430 /nfs/dbraw/zinc/05/74/30/958057430.db2.gz SSUYNQWBZQGSFG-UHFFFAOYSA-N -1 3 317.332 3.984 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(C(C)C)nc2C)C(=O)[O-])c1 ZINC001594397620 958783733 /nfs/dbraw/zinc/78/37/33/958783733.db2.gz KWLVOAVDAJIJQU-GOSISDBHSA-N -1 3 312.413 3.737 20 0 DHADHM Cc1cccc(Cl)c1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594403589 958872081 /nfs/dbraw/zinc/87/20/81/958872081.db2.gz JFMILMOBKRSLIQ-QGZVFWFLSA-N -1 3 303.789 3.738 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252599882 961278308 /nfs/dbraw/zinc/27/83/08/961278308.db2.gz LDMDITMTXFSIMH-LNLATYFQSA-N -1 3 302.201 3.849 20 0 DHADHM O=C([O-])C[C@@H](CNCc1c(F)cccc1Cl)c1ccccc1 ZINC000426635127 1013322141 /nfs/dbraw/zinc/32/21/41/1013322141.db2.gz UUOLTZYRVMELKR-ZDUSSCGKSA-N -1 3 321.779 3.827 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001574679994 962575377 /nfs/dbraw/zinc/57/53/77/962575377.db2.gz MVUYSPPQDLXVLK-NSHDSACASA-N -1 3 316.228 3.723 20 0 DHADHM O=C([N-]c1ncc(Cl)s1)c1c(F)c(F)cc(F)c1F ZINC000088390817 1013359718 /nfs/dbraw/zinc/35/97/18/1013359718.db2.gz GNDCKFDTAGOAGV-UHFFFAOYSA-N -1 3 310.659 3.605 20 0 DHADHM CC(C)Cn1ncc(NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000894514717 1013399897 /nfs/dbraw/zinc/39/98/97/1013399897.db2.gz AOQGGOIIIVOSIQ-UHFFFAOYSA-N -1 3 303.381 3.873 20 0 DHADHM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(C)cc1[O-] ZINC001167278763 1013501800 /nfs/dbraw/zinc/50/18/00/1013501800.db2.gz ZBKFVJWHUBLKLF-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1[O-] ZINC000530640050 1013527889 /nfs/dbraw/zinc/52/78/89/1013527889.db2.gz SCQRWZPVTICIHD-UHFFFAOYSA-N -1 3 309.818 3.942 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618182548 1013595683 /nfs/dbraw/zinc/59/56/83/1013595683.db2.gz KKTUCRSNRKTRSP-OAHLLOKOSA-N -1 3 324.424 3.571 20 0 DHADHM CCOC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCC1 ZINC000330618045 1013830236 /nfs/dbraw/zinc/83/02/36/1013830236.db2.gz XKCNVVSVGJVUJI-UHFFFAOYSA-N -1 3 317.307 3.699 20 0 DHADHM CSc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000669472867 1013837549 /nfs/dbraw/zinc/83/75/49/1013837549.db2.gz DVZZUOYRRPNOKJ-JTQLQIEISA-N -1 3 313.469 3.837 20 0 DHADHM CC1(C)CCC(C)(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622705860 1013999062 /nfs/dbraw/zinc/99/90/62/1013999062.db2.gz LWQYCSQFYJOEJD-UHFFFAOYSA-N -1 3 307.409 3.797 20 0 DHADHM C[C@@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000319204734 970514232 /nfs/dbraw/zinc/51/42/32/970514232.db2.gz FJBRTDCSUYZNDK-KBXCAEBGSA-N -1 3 301.430 3.887 20 0 DHADHM Cc1c(C(=O)[N-]c2cc(F)cc(F)c2F)oc2c1C(=O)CCC2 ZINC000294604234 1032079341 /nfs/dbraw/zinc/07/93/41/1032079341.db2.gz NNCDJGZDZYLYID-UHFFFAOYSA-N -1 3 323.270 3.777 20 0 DHADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605173208 972882164 /nfs/dbraw/zinc/88/21/64/972882164.db2.gz LDJXUEPXAXQURT-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM [O-]c1cccc(Nc2cnc3c(C4CC4)cnn3c2)c1Cl ZINC001210855486 1014073554 /nfs/dbraw/zinc/07/35/54/1014073554.db2.gz QHEDAZWDMVJZND-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM [O-]c1cccc(Nc2cnc(OCC3CCC3)nc2)c1Cl ZINC001210855740 1014073580 /nfs/dbraw/zinc/07/35/80/1014073580.db2.gz UIQSAAFQKVFOKB-UHFFFAOYSA-N -1 3 305.765 3.758 20 0 DHADHM O=C(Cc1cc(Cl)cc(Cl)c1)[N-]OCCC(F)(F)F ZINC000860996829 1033553028 /nfs/dbraw/zinc/55/30/28/1033553028.db2.gz ZCLRHGUJUNGIFZ-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM O=C([O-])c1ccc(CN2CCC3(CCSCC3)CC2)cc1F ZINC000634696028 1014114564 /nfs/dbraw/zinc/11/45/64/1014114564.db2.gz GOMJFFNSLQKIDV-UHFFFAOYSA-N -1 3 323.433 3.633 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CSCc3ccccc32)s1 ZINC001606491245 973977392 /nfs/dbraw/zinc/97/73/92/973977392.db2.gz XTSPQTILSDXPOU-ZDUSSCGKSA-N -1 3 305.424 3.524 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c([O-])c1 ZINC000189195819 1014158304 /nfs/dbraw/zinc/15/83/04/1014158304.db2.gz FMCTYHNGPXEABY-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM C[C@@H]1CC(C)(C)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000515491259 974299147 /nfs/dbraw/zinc/29/91/47/974299147.db2.gz ZKOYBCJZIZSEHV-GFCCVEGCSA-N -1 3 314.385 3.660 20 0 DHADHM O=C([O-])c1ccc(F)c2c1CN(CCCc1ccsc1)CC2 ZINC000530171303 974361563 /nfs/dbraw/zinc/36/15/63/974361563.db2.gz XEZKRDDUCNJAAZ-UHFFFAOYSA-N -1 3 319.401 3.576 20 0 DHADHM CCc1cccnc1[C@H](C)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603976584 974475084 /nfs/dbraw/zinc/47/50/84/974475084.db2.gz PIBHKADFOLYTQD-VUCTXSBTSA-N -1 3 310.397 3.608 20 0 DHADHM CCN(CCc1nccs1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000563283450 974526806 /nfs/dbraw/zinc/52/68/06/974526806.db2.gz OCNQJIFTRCRRNO-UHFFFAOYSA-N -1 3 324.833 3.559 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1cccc(Cl)c1 ZINC000565102461 974569439 /nfs/dbraw/zinc/56/94/39/974569439.db2.gz IMBKYHBKBUEFJE-NSHDSACASA-N -1 3 323.776 3.703 20 0 DHADHM CC[C@@H](C)NC(=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000280813019 1014243837 /nfs/dbraw/zinc/24/38/37/1014243837.db2.gz UMEZXDXKYFYGSU-GFCCVEGCSA-N -1 3 316.376 3.672 20 0 DHADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366746 975517051 /nfs/dbraw/zinc/51/70/51/975517051.db2.gz NHIUTNBKXVYZFV-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H](C)c1cccc(OC)c1 ZINC000652397134 975520144 /nfs/dbraw/zinc/52/01/44/975520144.db2.gz XYGAPIBEAWTLKB-GFCCVEGCSA-N -1 3 317.385 3.878 20 0 DHADHM [O-]c1c(F)cc(Nc2cc(Br)cnc2F)cc1F ZINC001211272105 1014305413 /nfs/dbraw/zinc/30/54/13/1014305413.db2.gz XZAKVAIZJIDYFM-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CN(CCOc1ccccc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000237193913 1014358282 /nfs/dbraw/zinc/35/82/82/1014358282.db2.gz MNSWSNHYSSGKDO-UHFFFAOYSA-N -1 3 319.788 3.549 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000055663442 1014399431 /nfs/dbraw/zinc/39/94/31/1014399431.db2.gz IWWAMKFZZPOIRL-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM Cc1ccc(OC2CCCC2)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC000665145559 1014407219 /nfs/dbraw/zinc/40/72/19/1014407219.db2.gz OSQIIOORSYAZNL-UHFFFAOYSA-N -1 3 321.384 3.559 20 0 DHADHM Cc1ccc(OC2CCCC2)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC000665145559 1014407226 /nfs/dbraw/zinc/40/72/26/1014407226.db2.gz OSQIIOORSYAZNL-UHFFFAOYSA-N -1 3 321.384 3.559 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2cc(-c3ccccn3)no2)s1 ZINC000074060336 1014438289 /nfs/dbraw/zinc/43/82/89/1014438289.db2.gz SCXNNFVUDLARBZ-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC001592445312 978111993 /nfs/dbraw/zinc/11/19/93/978111993.db2.gz JOGQMDIVDHEIGJ-ZDUSSCGKSA-N -1 3 316.401 3.711 20 0 DHADHM [O-]c1cc(F)c(Nc2cccc(O)c2Br)cc1F ZINC001215577221 1014487951 /nfs/dbraw/zinc/48/79/51/1014487951.db2.gz VALDKLYLQUEZNB-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1nc2ccccc2cc1Cl ZINC000580987544 1014505571 /nfs/dbraw/zinc/50/55/71/1014505571.db2.gz NTNJSIKLIRXAFY-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC(C)(C)C[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000756358619 978699110 /nfs/dbraw/zinc/69/91/10/978699110.db2.gz BEQXCNCDFJKLTO-LBPRGKRZSA-N -1 3 324.471 3.851 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(CC)cc1 ZINC000830239496 979015362 /nfs/dbraw/zinc/01/53/62/979015362.db2.gz YGIIJNQULKRFIH-LBPRGKRZSA-N -1 3 301.386 3.953 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1nc(Cl)ccc1Cl ZINC001595057154 979296445 /nfs/dbraw/zinc/29/64/45/979296445.db2.gz XYWVDMVIROHKMM-UHFFFAOYSA-N -1 3 305.205 3.512 20 0 DHADHM O=C([O-])c1csc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000872158321 980040056 /nfs/dbraw/zinc/04/00/56/980040056.db2.gz AELFBFFHFSXYPU-JTQLQIEISA-N -1 3 323.364 3.714 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000874054505 980170599 /nfs/dbraw/zinc/17/05/99/980170599.db2.gz FTRIUZVFWMDFFK-SNVBAGLBSA-N -1 3 324.302 3.649 20 0 DHADHM CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595284582 980358949 /nfs/dbraw/zinc/35/89/49/980358949.db2.gz YUTPYRGGRIFYGH-QZTJIDSGSA-N -1 3 311.381 3.819 20 0 DHADHM C[C@@H](NC[C@@H](C)c1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000901911466 980623862 /nfs/dbraw/zinc/62/38/62/980623862.db2.gz LMOKGDYOKVVILF-NXEZZACHSA-N -1 3 324.833 3.949 20 0 DHADHM CCN(Cc1cccs1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000902072259 980720258 /nfs/dbraw/zinc/72/02/58/980720258.db2.gz CZMSIASZMRNHGW-CYBMUJFWSA-N -1 3 319.426 3.622 20 0 DHADHM CCCOCc1ccccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902146329 980757470 /nfs/dbraw/zinc/75/74/70/980757470.db2.gz WVXLOSWLSQYDSS-UHFFFAOYSA-N -1 3 319.426 3.663 20 0 DHADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)CC1(c2ccccc2)CC1 ZINC000902359944 980852266 /nfs/dbraw/zinc/85/22/66/980852266.db2.gz QGIHUKFUEGLCMC-MDZDMXLPSA-N -1 3 311.381 3.541 20 0 DHADHM CCC(CC)(CNCc1ccc(/C=C\C(=O)[O-])o1)C(F)(F)F ZINC000902493876 980909156 /nfs/dbraw/zinc/90/91/56/980909156.db2.gz DRQPYGNTWWTFOR-FPLPWBNLSA-N -1 3 319.323 3.836 20 0 DHADHM Cc1cccc(C2(NCc3ccc(C(=O)[O-])cn3)CCCC2)c1 ZINC000905723298 981123393 /nfs/dbraw/zinc/12/33/93/981123393.db2.gz CLMDUPPJDMPLGO-UHFFFAOYSA-N -1 3 310.397 3.647 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NCc2ncccc2[O-])cc1Cl ZINC000581341891 1014721212 /nfs/dbraw/zinc/72/12/12/1014721212.db2.gz NUXGNQXGIHHJKA-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM COc1ccccc1CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000048384058 1014737636 /nfs/dbraw/zinc/73/76/36/1014737636.db2.gz DJKGNSJNSZDECV-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(Cl)c1 ZINC000313210495 1014759037 /nfs/dbraw/zinc/75/90/37/1014759037.db2.gz PPRAASYHBWAQCZ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CC[C@](C)(NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(F)cc1 ZINC001594852279 982093467 /nfs/dbraw/zinc/09/34/67/982093467.db2.gz IKNBBKKQJFZFDD-KRWDZBQOSA-N -1 3 304.365 3.575 20 0 DHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000665331965 1014928106 /nfs/dbraw/zinc/92/81/06/1014928106.db2.gz RJSDBFFSASUULK-LRDDRELGSA-N -1 3 303.402 3.636 20 0 DHADHM C/C(=C\CN1CCC(F)(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001588959374 984722704 /nfs/dbraw/zinc/72/27/04/984722704.db2.gz KMIKUPMRUPYVJQ-WUXMJOGZSA-N -1 3 311.784 3.632 20 0 DHADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1cc2ccccc2o1 ZINC001599901271 984832285 /nfs/dbraw/zinc/83/22/85/984832285.db2.gz FYTWKNQRXMHEPS-ZDUSSCGKSA-N -1 3 309.365 3.911 20 0 DHADHM C[C@]1(CN2Cc3ccc(C(=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC001599938400 985424431 /nfs/dbraw/zinc/42/44/31/985424431.db2.gz GVJDBDDQPCHISV-UYAOXDASSA-N -1 3 307.393 3.894 20 0 DHADHM CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656765260 1015137455 /nfs/dbraw/zinc/13/74/55/1015137455.db2.gz NFDFTOVPEGRZDV-ILXRZTDVSA-N -1 3 322.474 3.732 20 0 DHADHM CCOc1ccccc1[C@H](CC)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001597173527 987019675 /nfs/dbraw/zinc/01/96/75/987019675.db2.gz WYAHNVCSUIWFTA-INIZCTEOSA-N -1 3 316.401 3.661 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(Cl)c2C)c1[O-] ZINC000581742030 1015288813 /nfs/dbraw/zinc/28/88/13/1015288813.db2.gz DGBBZHOITLYIRV-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001597291731 987381530 /nfs/dbraw/zinc/38/15/30/987381530.db2.gz UFEDVADUBUINGY-MRXNPFEDSA-N -1 3 305.324 3.904 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC001589601578 987428397 /nfs/dbraw/zinc/42/83/97/987428397.db2.gz OFKDCINORWDQMP-INIZCTEOSA-N -1 3 319.351 3.907 20 0 DHADHM CCc1[nH]c(CN2CCC[C@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC001597386769 987608979 /nfs/dbraw/zinc/60/89/79/987608979.db2.gz OSLQJXFDTBYIHZ-SFHVURJKSA-N -1 3 312.413 3.921 20 0 DHADHM CC(C)(C)[C@@H](NCc1ccoc1C(=O)[O-])c1cccc(F)c1 ZINC001589720780 987883969 /nfs/dbraw/zinc/88/39/69/987883969.db2.gz QVALJVAUALEKMO-HNNXBMFYSA-N -1 3 305.349 3.994 20 0 DHADHM O=C(Cc1cnc2ccccc2c1)Nc1c([O-])cccc1Cl ZINC000581853120 1015380938 /nfs/dbraw/zinc/38/09/38/1015380938.db2.gz NRPYQSHPPAFSGR-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM CSc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC001599825554 988592865 /nfs/dbraw/zinc/59/28/65/988592865.db2.gz FPHXKCWYRDISKH-LBPRGKRZSA-N -1 3 301.411 3.958 20 0 DHADHM C[C@@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(Cl)cc1Cl ZINC001599841592 988845329 /nfs/dbraw/zinc/84/53/29/988845329.db2.gz URYVTDYXQQRDLA-OUAIYISWSA-N -1 3 324.154 3.610 20 0 DHADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])CO2 ZINC000474533137 1015435751 /nfs/dbraw/zinc/43/57/51/1015435751.db2.gz HTGJPNWMJMHGEJ-CYBMUJFWSA-N -1 3 317.772 3.777 20 0 DHADHM CC(C)(C)OCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001590388615 989908478 /nfs/dbraw/zinc/90/84/78/989908478.db2.gz QPVXECLPSYEBGV-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM CN(CCC(C)(C)C)Cc1oc(Br)cc1C(=O)[O-] ZINC001598472270 992046008 /nfs/dbraw/zinc/04/60/08/992046008.db2.gz PQMXMEFFBLSXPE-UHFFFAOYSA-N -1 3 318.211 3.608 20 0 DHADHM CN(Cc1ccoc1C(=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598532490 992799300 /nfs/dbraw/zinc/79/93/00/992799300.db2.gz UHMXXWYXWXNEQO-MNOVXSKESA-N -1 3 305.296 3.531 20 0 DHADHM O=C(Nc1nccc2sccc21)c1cc([O-])ccc1Cl ZINC000346330871 1015831026 /nfs/dbraw/zinc/83/10/26/1015831026.db2.gz LHIKHLPYOKTPGX-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM C[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593195315 994146339 /nfs/dbraw/zinc/14/63/39/994146339.db2.gz DELNWAZDKMMULD-IMIFBBOLSA-N -1 3 316.426 3.684 20 0 DHADHM C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593195317 994146797 /nfs/dbraw/zinc/14/67/97/994146797.db2.gz DELNWAZDKMMULD-XCCSTKFXSA-N -1 3 316.426 3.684 20 0 DHADHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cc(O)cc(F)c1 ZINC001593203846 994191656 /nfs/dbraw/zinc/19/16/56/994191656.db2.gz IJQKEHJDMGQMPG-YVEFUNNKSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H]([NH2+][C@H](CCC(=O)[O-])c1ccccc1)c1cc([O-])cc(F)c1 ZINC001593203846 994191663 /nfs/dbraw/zinc/19/16/63/994191663.db2.gz IJQKEHJDMGQMPG-YVEFUNNKSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H](N[C@@H]1CCCc2sccc21)c1cncc(C(=O)[O-])c1 ZINC001593218358 994285429 /nfs/dbraw/zinc/28/54/29/994285429.db2.gz HSLGZWKOBOAKDS-IINYFYTJSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@H](NCC(C)(C)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC001593241215 994436176 /nfs/dbraw/zinc/43/61/76/994436176.db2.gz XQUSOVOLFOTKNX-JTQLQIEISA-N -1 3 322.405 3.609 20 0 DHADHM C[C@@H](NCC[C@@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593265401 994572358 /nfs/dbraw/zinc/57/23/58/994572358.db2.gz SJEVJXUFPADYCH-YPMHNXCESA-N -1 3 316.426 3.612 20 0 DHADHM C[C@@H](NCCCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265638 994574219 /nfs/dbraw/zinc/57/42/19/994574219.db2.gz VHMVHFQRNFTSLU-GFCCVEGCSA-N -1 3 304.415 3.515 20 0 DHADHM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593354465 994991968 /nfs/dbraw/zinc/99/19/68/994991968.db2.gz QSJLSLKFNOSXFB-MNOVXSKESA-N -1 3 304.777 3.845 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001593644341 995960692 /nfs/dbraw/zinc/96/06/92/995960692.db2.gz IBQOJYGPVXWPMH-ARFHVFGLSA-N -1 3 317.429 3.551 20 0 DHADHM COc1ccc([C@H](NCc2ccccc2C)C(=O)[O-])cc1Cl ZINC001599532925 997691211 /nfs/dbraw/zinc/69/12/11/997691211.db2.gz XQJIWIMRIVADOE-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM COCCCC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001599224551 997733393 /nfs/dbraw/zinc/73/33/93/997733393.db2.gz RJEGKPLUYKLFOE-INIZCTEOSA-N -1 3 317.385 3.625 20 0 DHADHM C[C@@]1(NCc2c(Cl)cncc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594060625 997837076 /nfs/dbraw/zinc/83/70/76/997837076.db2.gz SAQDZACYRZJQKR-QMTHXVAHSA-N -1 3 317.216 3.512 20 0 DHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccsc1C(=O)[O-] ZINC001594174226 998668567 /nfs/dbraw/zinc/66/85/67/998668567.db2.gz RETWNQMSUYWFNL-WCBMZHEXSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594175424 998672476 /nfs/dbraw/zinc/67/24/76/998672476.db2.gz XHDMSVJLLMKZSL-JFUSQASVSA-N -1 3 321.726 3.738 20 0 DHADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000892141860 1016291803 /nfs/dbraw/zinc/29/18/03/1016291803.db2.gz WOAGNVTWJXVYQA-ZBEGNZNMSA-N -1 3 307.390 3.555 20 0 DHADHM C[C@H]1CCN(Cc2cc3ccccc3nc2Cl)[C@H](C(=O)[O-])C1 ZINC001594424597 999589085 /nfs/dbraw/zinc/58/90/85/999589085.db2.gz XJBIFPXNWJHURQ-NHYWBVRUSA-N -1 3 318.804 3.573 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1F ZINC000342411027 1016359342 /nfs/dbraw/zinc/35/93/42/1016359342.db2.gz FZSQAUMUMNVVOX-MRVPVSSYSA-N -1 3 311.715 3.815 20 0 DHADHM Cc1ncccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622405229 1016392284 /nfs/dbraw/zinc/39/22/84/1016392284.db2.gz KTMFBWFLWHBMSN-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C)n1 ZINC000622426161 1016404614 /nfs/dbraw/zinc/40/46/14/1016404614.db2.gz ZTHAJNYXUZKATJ-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000622449030 1016419975 /nfs/dbraw/zinc/41/99/75/1016419975.db2.gz AQPIHVCZOCBADU-ZDUSSCGKSA-N -1 3 313.397 3.582 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000622523387 1016447942 /nfs/dbraw/zinc/44/79/42/1016447942.db2.gz HHQLTVXYGIOBBK-UHFFFAOYSA-N -1 3 304.415 3.979 20 0 DHADHM Cc1oc([C@@H](C)N(C)CCCOc2ccccc2)cc1C(=O)[O-] ZINC000563278274 1016488535 /nfs/dbraw/zinc/48/85/35/1016488535.db2.gz PRSVPUWDSGLYAT-CYBMUJFWSA-N -1 3 317.385 3.748 20 0 DHADHM CC(C)c1ccc(C(=O)NCC(C)(C)c2ccccn2)c([O-])c1 ZINC000622632175 1016494499 /nfs/dbraw/zinc/49/44/99/1016494499.db2.gz JRGAAUYLQORRMT-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM CCc1ccc(C(=O)NCc2cnccc2C(C)(C)C)c([O-])c1 ZINC000622704520 1016525786 /nfs/dbraw/zinc/52/57/86/1016525786.db2.gz GUZVSCJLZVEAIA-UHFFFAOYSA-N -1 3 312.413 3.577 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccc(F)cc2C)c([O-])c1 ZINC000622747589 1016559077 /nfs/dbraw/zinc/55/90/77/1016559077.db2.gz IXHCTLRIHWLQOD-CYBMUJFWSA-N -1 3 301.361 3.509 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC000622751018 1016571101 /nfs/dbraw/zinc/57/11/01/1016571101.db2.gz WNNCBTPTHGQAMD-MRXNPFEDSA-N -1 3 301.430 3.997 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000665533247 1016583695 /nfs/dbraw/zinc/58/36/95/1016583695.db2.gz HCFUCOKJSLXNIK-SNVBAGLBSA-N -1 3 319.451 3.935 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000522777371 1016615744 /nfs/dbraw/zinc/61/57/44/1016615744.db2.gz UKFNYOYDWOJHHK-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CC(C)C[C@@H](C)Oc1cccc([O-])c1I ZINC001227377762 1016732767 /nfs/dbraw/zinc/73/27/67/1016732767.db2.gz KPPUNPNOFTURHB-SECBINFHSA-N -1 3 320.170 3.810 20 0 DHADHM O=C(NC1(Cc2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000347156527 1016765830 /nfs/dbraw/zinc/76/58/30/1016765830.db2.gz ICAHQWSYRWDFHV-UHFFFAOYSA-N -1 3 301.773 3.551 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](C)C(C)C ZINC000623027547 1016849043 /nfs/dbraw/zinc/84/90/43/1016849043.db2.gz OFEDJTOMOOTSAO-SNVBAGLBSA-N -1 3 303.324 3.918 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(F)c1 ZINC000176440274 1016965346 /nfs/dbraw/zinc/96/53/46/1016965346.db2.gz QMPUDKWZRLNAPX-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC4(CC4)C3)nc2)n1 ZINC000897039719 1017013117 /nfs/dbraw/zinc/01/31/17/1017013117.db2.gz BNEUTPJEBOGEBF-OAHLLOKOSA-N -1 3 324.428 3.941 20 0 DHADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]2CCC[C@H]21 ZINC000294882121 1032192380 /nfs/dbraw/zinc/19/23/80/1032192380.db2.gz UMWUQOVEBIVCPW-CJNGLKHVSA-N -1 3 310.397 3.591 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000055687827 1032227821 /nfs/dbraw/zinc/22/78/21/1032227821.db2.gz CNMIXUQQIAMJMR-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779227 1032267029 /nfs/dbraw/zinc/26/70/29/1032267029.db2.gz QARXBDGXAIOVKP-YMTOWFKASA-N -1 3 302.201 3.851 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000119248373 1032275502 /nfs/dbraw/zinc/27/55/02/1032275502.db2.gz PSCIMLNAJPGXMC-LBPRGKRZSA-N -1 3 306.369 3.502 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c([O-])c1 ZINC001147579879 1032324216 /nfs/dbraw/zinc/32/42/16/1032324216.db2.gz FMINJNVKOXXGSR-DZGCQCFKSA-N -1 3 301.773 3.640 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC001148045528 1032358795 /nfs/dbraw/zinc/35/87/95/1032358795.db2.gz CDVLDAZUPMLVSC-LLVKDONJSA-N -1 3 305.324 3.512 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3c(OC)cccc23)c1[O-] ZINC001148202966 1032378325 /nfs/dbraw/zinc/37/83/25/1032378325.db2.gz URNYUIQXQCQGTC-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c([O-])c1 ZINC001148500872 1032409637 /nfs/dbraw/zinc/40/96/37/1032409637.db2.gz YFQJWWUQPIKGRF-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM COc1ccc([C@H](NC(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC001148506888 1032411241 /nfs/dbraw/zinc/41/12/41/1032411241.db2.gz DNWYUQHCGYXBES-GOSISDBHSA-N -1 3 311.381 3.590 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc3cc(C)[nH]c3c2)ccc1[O-] ZINC001148664762 1032431211 /nfs/dbraw/zinc/43/12/11/1032431211.db2.gz SREUHBMWESNWEP-UHFFFAOYSA-N -1 3 308.337 3.637 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CCc2cccs2)c([O-])c1 ZINC000075201175 1017296733 /nfs/dbraw/zinc/29/67/33/1017296733.db2.gz SNUQEVJEOBOGPH-UHFFFAOYSA-N -1 3 303.427 3.892 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c1[O-] ZINC000121869823 1032476615 /nfs/dbraw/zinc/47/66/15/1032476615.db2.gz GTUJVYAUWXPNDY-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1[O-] ZINC000089882148 1011908449 /nfs/dbraw/zinc/90/84/49/1011908449.db2.gz GXHVKRZYMPYJMV-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM CC1(C)CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000579722619 1011971990 /nfs/dbraw/zinc/97/19/90/1011971990.db2.gz MNKGNOUJWARAKW-LBPRGKRZSA-N -1 3 302.201 3.851 20 0 DHADHM CC[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001167048755 1012007588 /nfs/dbraw/zinc/00/75/88/1012007588.db2.gz QBYHSVZDWUTZEZ-GOSISDBHSA-N -1 3 309.409 3.901 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccccc1CCc1ccccc1 ZINC000683139513 1012098459 /nfs/dbraw/zinc/09/84/59/1012098459.db2.gz YTWHCXQQCDSIHO-UHFFFAOYSA-N -1 3 318.376 3.825 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(Cc1ccoc1)C1CC1 ZINC000889092034 1012216123 /nfs/dbraw/zinc/21/61/23/1012216123.db2.gz ODQGSNKFNQBPGI-UHFFFAOYSA-N -1 3 317.360 3.638 20 0 DHADHM O=C(OCc1cccc(F)c1F)c1cc(Cl)c(Cl)[n-]1 ZINC000011810724 1032618782 /nfs/dbraw/zinc/61/87/82/1032618782.db2.gz CUFHBHFFILCABE-UHFFFAOYSA-N -1 3 306.095 3.957 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])c(Cl)c1 ZINC000109103820 1012505198 /nfs/dbraw/zinc/50/51/98/1012505198.db2.gz CGEMPEKXUALAMT-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@](C)(C(F)(F)F)C2)c1 ZINC000874474018 1032641963 /nfs/dbraw/zinc/64/19/63/1032641963.db2.gz RLJLGKZESIQEJK-ZDUSSCGKSA-N -1 3 319.348 3.529 20 0 DHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ncccc1[O-] ZINC000516684213 1012816501 /nfs/dbraw/zinc/81/65/01/1012816501.db2.gz AFAXIEIUBBUYSB-LBPRGKRZSA-N -1 3 305.447 3.869 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1scnc1C1CCCC1 ZINC000857696720 1032660170 /nfs/dbraw/zinc/66/01/70/1032660170.db2.gz HJBAKMKKPAUWKK-UHFFFAOYSA-N -1 3 309.341 3.726 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@](F)(c3ccccc3)C2)c1F ZINC000517599851 1013020428 /nfs/dbraw/zinc/02/04/28/1013020428.db2.gz JBFBGAQMZATKNF-KRWDZBQOSA-N -1 3 307.315 3.741 20 0 DHADHM Cc1cc(Br)cnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213370244 1017132759 /nfs/dbraw/zinc/13/27/59/1017132759.db2.gz AXYYGKRUTUITBY-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000368125519 1017196663 /nfs/dbraw/zinc/19/66/63/1017196663.db2.gz WWVVYIIKGHPUMR-MRXNPFEDSA-N -1 3 317.772 3.729 20 0 DHADHM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458026 1017255453 /nfs/dbraw/zinc/25/54/53/1017255453.db2.gz OFWRPPFRJRCBBM-DIFFPNOSSA-N -1 3 319.788 3.539 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(F)c(F)c1F ZINC000179638882 1017279057 /nfs/dbraw/zinc/27/90/57/1017279057.db2.gz MHENRCDGKRCJMK-UHFFFAOYSA-N -1 3 319.641 3.854 20 0 DHADHM Cc1nc(Cl)nc(Cl)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373610 1017621477 /nfs/dbraw/zinc/62/14/77/1017621477.db2.gz OKYLVZCDULKKEI-UHFFFAOYSA-N -1 3 306.099 3.819 20 0 DHADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000624081866 1017673742 /nfs/dbraw/zinc/67/37/42/1017673742.db2.gz HSBUOEMGHQXYTA-AWEZNQCLSA-N -1 3 313.397 3.933 20 0 DHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523510182 1017716640 /nfs/dbraw/zinc/71/66/40/1017716640.db2.gz VGUSKASXIWGDSE-XNRPHZJLSA-N -1 3 322.424 3.791 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000523609128 1017743654 /nfs/dbraw/zinc/74/36/54/1017743654.db2.gz TYOGVLLLBVHHND-UHFFFAOYSA-N -1 3 311.356 3.922 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2nccc3ccccc32)no1 ZINC000445520776 1017894133 /nfs/dbraw/zinc/89/41/33/1017894133.db2.gz NBJTULWHKIXZQC-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1scnc1C1CCCC1 ZINC000184244710 1018069208 /nfs/dbraw/zinc/06/92/08/1018069208.db2.gz CGSGGCSAAXVKQF-UHFFFAOYSA-N -1 3 306.362 3.898 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001212520899 1018152769 /nfs/dbraw/zinc/15/27/69/1018152769.db2.gz YFYQARANZFLVOH-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1cccc2nsnc21 ZINC000764553106 1018313164 /nfs/dbraw/zinc/31/31/64/1018313164.db2.gz QTTUZCOMIPSINW-UHFFFAOYSA-N -1 3 319.430 3.600 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OC2CCCC2)S1 ZINC000874928579 1032762936 /nfs/dbraw/zinc/76/29/36/1032762936.db2.gz RSVOQEMWSPYDCL-JYRVWZFOSA-N -1 3 323.801 3.985 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1nccn1-c1ccccc1 ZINC000367392584 1018456030 /nfs/dbraw/zinc/45/60/30/1018456030.db2.gz ROFIRLBBXKHDFM-CYBMUJFWSA-N -1 3 311.360 3.568 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2ccc([O-])cn2)n1 ZINC001212557847 1018461705 /nfs/dbraw/zinc/46/17/05/1018461705.db2.gz DEHIQGITVIVHKX-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c2ccccc12 ZINC001212558037 1018463176 /nfs/dbraw/zinc/46/31/76/1018463176.db2.gz OCFHMWYIFNNKNM-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001127826821 1018478361 /nfs/dbraw/zinc/47/83/61/1018478361.db2.gz UNUPIXICGCDCIG-AAEUAGOBSA-N -1 3 317.326 3.963 20 0 DHADHM CCc1ccc(C2=CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000447892282 1018496250 /nfs/dbraw/zinc/49/62/50/1018496250.db2.gz UWDIGMOAXSWTEP-HNNXBMFYSA-N -1 3 323.440 3.903 20 0 DHADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn2ccnc12 ZINC000355418808 1018531548 /nfs/dbraw/zinc/53/15/48/1018531548.db2.gz LNLXAFKPMIBABK-UHFFFAOYSA-N -1 3 317.348 3.754 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC000315551036 1032790897 /nfs/dbraw/zinc/79/08/97/1032790897.db2.gz IISZIFORZHBRHV-CYBMUJFWSA-N -1 3 305.418 3.689 20 0 DHADHM Cc1ccc(C(C)(C)NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000350869761 1018913865 /nfs/dbraw/zinc/91/38/65/1018913865.db2.gz YGVMTODKSOLRLD-UHFFFAOYSA-N -1 3 320.392 3.914 20 0 DHADHM CCOc1ncccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471744031 1018927735 /nfs/dbraw/zinc/92/77/35/1018927735.db2.gz KDIMRRXEAGNXMH-UHFFFAOYSA-N -1 3 308.337 3.591 20 0 DHADHM Fc1ccc([C@H]([N-]c2nnc(C(F)F)o2)C2CC2)cc1Cl ZINC000562701695 1018928320 /nfs/dbraw/zinc/92/83/20/1018928320.db2.gz JKRNHMHBFIEHKC-SNVBAGLBSA-N -1 3 317.698 4.363 20 0 DHADHM CC(C)c1nsc([N-][C@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656228497 1018976836 /nfs/dbraw/zinc/97/68/36/1018976836.db2.gz QWWLQYVWMTVTRR-RKDXNWHRSA-N -1 3 309.357 3.573 20 0 DHADHM Cc1ccc(NCc2ccc([O-])c(F)c2)cc1C(=O)NC(C)C ZINC000892371394 1018980399 /nfs/dbraw/zinc/98/03/99/1018980399.db2.gz ATLGCQRDJKSRKQ-UHFFFAOYSA-N -1 3 316.376 3.590 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000765650064 1019023853 /nfs/dbraw/zinc/02/38/53/1019023853.db2.gz ZTXZBKDHHCMISY-CMPLNLGQSA-N -1 3 323.314 3.950 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000765650067 1019024327 /nfs/dbraw/zinc/02/43/27/1019024327.db2.gz ZTXZBKDHHCMISY-PWSUYJOCSA-N -1 3 323.314 3.950 20 0 DHADHM Cc1ccncc1[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001137810718 1019084264 /nfs/dbraw/zinc/08/42/64/1019084264.db2.gz VDQILZUBFDGZFX-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000355519245 1019126519 /nfs/dbraw/zinc/12/65/19/1019126519.db2.gz VKECAODMHPPUPG-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM Cn1ccnc1[C@@H]([N-]c1nc2ccccc2o1)c1ccc(F)cc1 ZINC000029401048 1019177339 /nfs/dbraw/zinc/17/73/39/1019177339.db2.gz SOFIONGOXBKQCI-INIZCTEOSA-N -1 3 322.343 3.902 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2ccccc2CO1 ZINC000356475511 1019225489 /nfs/dbraw/zinc/22/54/89/1019225489.db2.gz BRRFZPATMDGMKH-UHFFFAOYSA-N -1 3 305.333 3.633 20 0 DHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000084649875 1019283728 /nfs/dbraw/zinc/28/37/28/1019283728.db2.gz QXVLHVIMJKVBGB-UHFFFAOYSA-N -1 3 317.410 3.509 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1c(C)cccc1[O-])CCCC2 ZINC000626069285 1019286293 /nfs/dbraw/zinc/28/62/93/1019286293.db2.gz LXXBGMJTBLAHPO-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM CN(C)c1ccccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471959846 1019315449 /nfs/dbraw/zinc/31/54/49/1019315449.db2.gz ZTKDEZLDRKOARE-UHFFFAOYSA-N -1 3 320.392 3.541 20 0 DHADHM CCN(Cc1ccncc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471961700 1019316444 /nfs/dbraw/zinc/31/64/44/1019316444.db2.gz VPPGXYPGSLQVOJ-UHFFFAOYSA-N -1 3 306.365 3.603 20 0 DHADHM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cc2sccc2c([O-])c1 ZINC000888366515 1019432263 /nfs/dbraw/zinc/43/22/63/1019432263.db2.gz MVVXNJTYZSXDCB-YOGCLGLASA-N -1 3 319.451 3.763 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)S1 ZINC000525935346 1019726561 /nfs/dbraw/zinc/72/65/61/1019726561.db2.gz KVOMAUKOIHNAOG-TXEJJXNPSA-N -1 3 301.411 3.511 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000280817574 1019729878 /nfs/dbraw/zinc/72/98/78/1019729878.db2.gz NBDCYTCAXRBOPB-CYBMUJFWSA-N -1 3 323.314 3.960 20 0 DHADHM CC(C)n1cc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000526895675 1019735571 /nfs/dbraw/zinc/73/55/71/1019735571.db2.gz DZPCGYHMZZDPBC-ZDUSSCGKSA-N -1 3 323.396 3.814 20 0 DHADHM O=C(NC/C=C\c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526921144 1019738439 /nfs/dbraw/zinc/73/84/39/1019738439.db2.gz BUFKRROCUSLSFO-TWGQIWQCSA-N -1 3 303.361 3.989 20 0 DHADHM CN1CCc2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc21 ZINC000526921416 1019739347 /nfs/dbraw/zinc/73/93/47/1019739347.db2.gz YWYZPMHHQAYCPS-UHFFFAOYSA-N -1 3 318.376 3.790 20 0 DHADHM CN(CCc1cccs1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000526926739 1019740457 /nfs/dbraw/zinc/74/04/57/1019740457.db2.gz POKWSEGMFUIQAM-UHFFFAOYSA-N -1 3 311.406 3.922 20 0 DHADHM CCCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061205549 1019741873 /nfs/dbraw/zinc/74/18/73/1019741873.db2.gz GWBOCWCDINTNOX-UHFFFAOYSA-N -1 3 320.392 3.581 20 0 DHADHM COCCc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527178922 1019743141 /nfs/dbraw/zinc/74/31/41/1019743141.db2.gz UXPINLDYJYMFIH-UHFFFAOYSA-N -1 3 321.376 3.987 20 0 DHADHM Cc1cc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2[nH]1 ZINC000025129316 1019900058 /nfs/dbraw/zinc/90/00/58/1019900058.db2.gz VXDJTOQWFHBIEO-UHFFFAOYSA-N -1 3 317.348 3.570 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1cccc(Cl)c1F ZINC000477530107 1032860608 /nfs/dbraw/zinc/86/06/08/1032860608.db2.gz WDFJQFHZJRVFIU-UHFFFAOYSA-N -1 3 319.810 3.525 20 0 DHADHM CC1(C)CCC(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000389982775 1019905346 /nfs/dbraw/zinc/90/53/46/1019905346.db2.gz LBGIVKRRRHSZJF-QGZVFWFLSA-N -1 3 301.430 3.887 20 0 DHADHM CCOc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000685579199 1019962081 /nfs/dbraw/zinc/96/20/81/1019962081.db2.gz UMQOSMLKOZNVSD-NSHDSACASA-N -1 3 319.788 3.935 20 0 DHADHM COc1nccc2c(NC(=O)c3cccc(C)c3[O-])cccc21 ZINC001626075023 1019980657 /nfs/dbraw/zinc/98/06/57/1019980657.db2.gz GCUOVBSWSUSHIY-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1cc(C)c(C)c(OCCC(=O)[N-]OCc2ccccc2)c1 ZINC000730519132 1019999731 /nfs/dbraw/zinc/99/97/31/1019999731.db2.gz IIMHPQOGOGDJLI-UHFFFAOYSA-N -1 3 313.397 3.629 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000069741733 1020057963 /nfs/dbraw/zinc/05/79/63/1020057963.db2.gz WTALMUNSGDYGME-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM CCOc1c(Cl)cccc1CC(=O)Nc1cccc([O-])c1F ZINC000189857239 1020060643 /nfs/dbraw/zinc/06/06/43/1020060643.db2.gz XCXSTPOTXLVSED-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM CCC(C)(C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000073052460 1020097909 /nfs/dbraw/zinc/09/79/09/1020097909.db2.gz NLKUORDIBOZKMT-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM CC[C@@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768500 1020144783 /nfs/dbraw/zinc/14/47/83/1020144783.db2.gz NJVRXWUCAPWYIM-SECBINFHSA-N -1 3 323.190 3.795 20 0 DHADHM CC(C)(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000030372047 1020169094 /nfs/dbraw/zinc/16/90/94/1020169094.db2.gz IXXIGAKZVAUMQE-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(OCCCOc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000732394317 1020235757 /nfs/dbraw/zinc/23/57/57/1020235757.db2.gz LBHYSNBSFXWITO-UHFFFAOYSA-N -1 3 323.348 3.566 20 0 DHADHM CC(C)[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000186371775 1020271306 /nfs/dbraw/zinc/27/13/06/1020271306.db2.gz ALKBNRJRGDJYEI-XHDPSFHLSA-N -1 3 311.397 3.548 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(C)C[C@H]4C[C@H]4C3)nc2)n1 ZINC000624657534 1020291598 /nfs/dbraw/zinc/29/15/98/1020291598.db2.gz SYNZKSCMTPTWJD-HBCWATKFSA-N -1 3 324.428 3.655 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H](CC)O1 ZINC000421983069 1020379759 /nfs/dbraw/zinc/37/97/59/1020379759.db2.gz QMFVDDIISCZOBW-HZPDHXFCSA-N -1 3 313.397 3.575 20 0 DHADHM O=c1cc(-c2noc(C3CCC(c4ccccc4)CC3)n2)nc[n-]1 ZINC000647417636 1020404476 /nfs/dbraw/zinc/40/44/76/1020404476.db2.gz KKVAOTWHOIIHEB-UHFFFAOYSA-N -1 3 322.368 3.674 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000625250015 1020432181 /nfs/dbraw/zinc/43/21/81/1020432181.db2.gz ZYOGQIWABLEUOI-LBPRGKRZSA-N -1 3 302.399 3.525 20 0 DHADHM Cc1cccc(CO[N-]C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC001168634513 1020443300 /nfs/dbraw/zinc/44/33/00/1020443300.db2.gz SELBPCOHVMQCHZ-UKRRQHHQSA-N -1 3 304.434 3.790 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)c(C)c1 ZINC000055548308 1020450117 /nfs/dbraw/zinc/45/01/17/1020450117.db2.gz UXLISANTESKTHU-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM COc1cc2c(cc1[N-]C(=O)c1nonc1C)oc1ccccc12 ZINC000733875439 1020452982 /nfs/dbraw/zinc/45/29/82/1020452982.db2.gz PMFAVQYKSPXBSW-UHFFFAOYSA-N -1 3 323.308 3.538 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1F ZINC000055678591 1020454955 /nfs/dbraw/zinc/45/49/55/1020454955.db2.gz FGUNDYUQTIXKTE-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)C(C)(F)F ZINC000825827955 1032907111 /nfs/dbraw/zinc/90/71/11/1032907111.db2.gz IEYQJPJNIIGSAZ-UHFFFAOYSA-N -1 3 307.340 3.957 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735031547 1020685620 /nfs/dbraw/zinc/68/56/20/1020685620.db2.gz KXZKYNNATOTKGI-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735031547 1020685653 /nfs/dbraw/zinc/68/56/53/1020685653.db2.gz KXZKYNNATOTKGI-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCOc1ccc2cc(C(=O)Nc3cc(F)ccc3[O-])[nH]c2c1 ZINC000178328238 1020730148 /nfs/dbraw/zinc/73/01/48/1020730148.db2.gz NSYNJBRRARUJGI-UHFFFAOYSA-N -1 3 314.316 3.664 20 0 DHADHM O=C([N-]c1ccccc1SC(F)F)c1cncc(Cl)n1 ZINC000236149199 1020812231 /nfs/dbraw/zinc/81/22/31/1020812231.db2.gz DKUHDTMLMUCVRS-UHFFFAOYSA-N -1 3 315.732 3.697 20 0 DHADHM CC(C)c1cnc(CO[N-]C(=O)Cc2cccc3ccccc32)o1 ZINC000738294025 1020872154 /nfs/dbraw/zinc/87/21/54/1020872154.db2.gz ALVRGNKFVDPWDJ-UHFFFAOYSA-N -1 3 324.380 3.742 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(cccc2F)s1 ZINC000738550904 1020877767 /nfs/dbraw/zinc/87/77/67/1020877767.db2.gz BFJQOTNZGLOSQS-UHFFFAOYSA-N -1 3 319.332 3.815 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1CCCCCCC1 ZINC000738983182 1020899540 /nfs/dbraw/zinc/89/95/40/1020899540.db2.gz GOGWKIIIJSAEEL-UHFFFAOYSA-N -1 3 308.397 3.691 20 0 DHADHM O=C(OCCOC1CCCCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000740954055 1020966962 /nfs/dbraw/zinc/96/69/62/1020966962.db2.gz MROUBKZDLPMCOR-UHFFFAOYSA-N -1 3 318.373 3.566 20 0 DHADHM O=C(OCCOC1CCCCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000740954055 1020966965 /nfs/dbraw/zinc/96/69/65/1020966965.db2.gz MROUBKZDLPMCOR-UHFFFAOYSA-N -1 3 318.373 3.566 20 0 DHADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)s1 ZINC000176179594 1021105083 /nfs/dbraw/zinc/10/50/83/1021105083.db2.gz MSWHXJGWPOWDEA-ZETCQYMHSA-N -1 3 322.777 3.522 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC12CCC2 ZINC000650946308 1021181089 /nfs/dbraw/zinc/18/10/89/1021181089.db2.gz CSAUPSMISDUPLE-SECBINFHSA-N -1 3 310.191 3.592 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cnc(-c2ccccc2)s1 ZINC000128306936 1021215273 /nfs/dbraw/zinc/21/52/73/1021215273.db2.gz XPBGTCDOCNZGAK-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CCN(CC)[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128391385 1021239205 /nfs/dbraw/zinc/23/92/05/1021239205.db2.gz FNCFUAHWVKAOSX-KRWDZBQOSA-N -1 3 316.376 3.553 20 0 DHADHM O=C(NC(=O)c1ccccc1)Nc1cc2ccccc2cc1[O-] ZINC001202453452 1021259759 /nfs/dbraw/zinc/25/97/59/1021259759.db2.gz GGKJKDQTVYEDIO-UHFFFAOYSA-N -1 3 306.321 3.507 20 0 DHADHM Cc1cc(F)cc([C@@]2(F)CCN(Cc3nc(C)ccc3[O-])C2)c1 ZINC000337400638 1032969410 /nfs/dbraw/zinc/96/94/10/1032969410.db2.gz LCWNUWBYAJHNCI-GOSISDBHSA-N -1 3 318.367 3.614 20 0 DHADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc([O-])c1F ZINC000128737028 1021334101 /nfs/dbraw/zinc/33/41/01/1021334101.db2.gz MEMLZVIWQWBFHV-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM C[C@H](CCc1ccccc1)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000647650165 1021423730 /nfs/dbraw/zinc/42/37/30/1021423730.db2.gz PNCSYFQGQMLFMC-OLZOCXBDSA-N -1 3 318.442 3.761 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cccc([O-])c2F)nn1C(C)(C)C ZINC000129305418 1021463248 /nfs/dbraw/zinc/46/32/48/1021463248.db2.gz SIXZGSWTNTWYFM-UHFFFAOYSA-N -1 3 319.380 3.859 20 0 DHADHM COc1ccccc1CC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000129356197 1021468044 /nfs/dbraw/zinc/46/80/44/1021468044.db2.gz AXBNSPYBCLACRU-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1cnccc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647147 1021497324 /nfs/dbraw/zinc/49/73/24/1021497324.db2.gz ILVWYSGKPHXBNH-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM C[C@H](SCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129511464 1021499305 /nfs/dbraw/zinc/49/93/05/1021499305.db2.gz DJVRJSXYDJIHKA-NSHDSACASA-N -1 3 305.374 3.792 20 0 DHADHM CC(C)Oc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129514419 1021502517 /nfs/dbraw/zinc/50/25/17/1021502517.db2.gz TXDMPIGHUMOTKD-DHZHZOJOSA-N -1 3 315.344 3.970 20 0 DHADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc([O-])c1F ZINC000129705027 1021552081 /nfs/dbraw/zinc/55/20/81/1021552081.db2.gz BIIQNYHIMPZQES-UHFFFAOYSA-N -1 3 318.735 3.929 20 0 DHADHM Cc1ccc2c(CCC(=O)[N-]OCc3ccccc3)c[nH]c2c1 ZINC000744458046 1021552678 /nfs/dbraw/zinc/55/26/78/1021552678.db2.gz BMSQMZYEUSDNPM-UHFFFAOYSA-N -1 3 308.381 3.657 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337430174 1032988818 /nfs/dbraw/zinc/98/88/18/1032988818.db2.gz USOHMBHLSGOVRF-WBMJQRKESA-N -1 3 303.381 3.678 20 0 DHADHM CCn1cc(CC(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000129727457 1021563803 /nfs/dbraw/zinc/56/38/03/1021563803.db2.gz KSZVDJNNVACLDE-UHFFFAOYSA-N -1 3 312.344 3.687 20 0 DHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1cccc([O-])c1F ZINC000129752792 1021568827 /nfs/dbraw/zinc/56/88/27/1021568827.db2.gz OBHYZGQDHAYDKI-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)C(C)(C)C ZINC000924085407 1021591472 /nfs/dbraw/zinc/59/14/72/1021591472.db2.gz DLSOZATWJDNKHI-QMMMGPOBSA-N -1 3 324.327 3.661 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000093917069 1021699551 /nfs/dbraw/zinc/69/95/51/1021699551.db2.gz ZXPLYKWBEKBIAV-ZDUSSCGKSA-N -1 3 313.397 3.796 20 0 DHADHM c1sc([N-]c2ncnc3ncccc23)nc1-c1ccccc1 ZINC000163084721 1021707132 /nfs/dbraw/zinc/70/71/32/1021707132.db2.gz LFWQJTSGQAFFBT-UHFFFAOYSA-N -1 3 305.366 3.892 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619356427 1021735383 /nfs/dbraw/zinc/73/53/83/1021735383.db2.gz CHWMFLGNXKKGDH-KBPBESRZSA-N -1 3 309.365 3.667 20 0 DHADHM COC(=O)Nc1ccc(C(=O)OCCC2CCCCC2)cc1[O-] ZINC000745652476 1021754106 /nfs/dbraw/zinc/75/41/06/1021754106.db2.gz IQAFPYZZMFIMIF-UHFFFAOYSA-N -1 3 321.373 3.698 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)ccc3F)n[n-]2)o1 ZINC000919324295 1021769015 /nfs/dbraw/zinc/76/90/15/1021769015.db2.gz GVUWVCZULSETOM-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)ccc3F)[n-]n2)o1 ZINC000919324295 1021769033 /nfs/dbraw/zinc/76/90/33/1021769033.db2.gz GVUWVCZULSETOM-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2ccnn2CC(F)(F)F)c1F ZINC001214558954 1021870030 /nfs/dbraw/zinc/87/00/30/1021870030.db2.gz ADGIXCBPTQOIFF-UHFFFAOYSA-N -1 3 309.650 3.687 20 0 DHADHM CC[C@@H]1c2ccccc2CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000893114585 1021951174 /nfs/dbraw/zinc/95/11/74/1021951174.db2.gz VYILPLOHEVHNEN-MRXNPFEDSA-N -1 3 314.360 3.708 20 0 DHADHM COC(=O)Cc1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214561289 1022061182 /nfs/dbraw/zinc/06/11/82/1022061182.db2.gz DOGOZEUWDDJJIU-UHFFFAOYSA-N -1 3 309.724 3.644 20 0 DHADHM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000008287938 1022104388 /nfs/dbraw/zinc/10/43/88/1022104388.db2.gz NCFAYZRNUOCPGU-GFCCVEGCSA-N -1 3 324.336 3.669 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2nc(Cl)ccc2c1 ZINC000174902310 1022121482 /nfs/dbraw/zinc/12/14/82/1022121482.db2.gz FEUZIVQCGKODEY-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC(C)c1cc(CNc2[n-]c(=O)c(Cl)cc2Cl)on1 ZINC001168818092 1022137203 /nfs/dbraw/zinc/13/72/03/1022137203.db2.gz QHMTZGXXOGFGQN-UHFFFAOYSA-N -1 3 302.161 3.818 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1NC(C)(C)c1ccc(C)cc1 ZINC001168802750 1022137256 /nfs/dbraw/zinc/13/72/56/1022137256.db2.gz ABBNGPVXCKBHTH-UHFFFAOYSA-N -1 3 323.400 3.531 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1NC(C)(C)c1ccc(C)cc1 ZINC001168802750 1022137264 /nfs/dbraw/zinc/13/72/64/1022137264.db2.gz ABBNGPVXCKBHTH-UHFFFAOYSA-N -1 3 323.400 3.531 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(OCCC(C)C)CC2)c1 ZINC000195444387 1022193746 /nfs/dbraw/zinc/19/37/46/1022193746.db2.gz ZTFONOXWXWXLKO-UHFFFAOYSA-N -1 3 319.445 3.622 20 0 DHADHM CC[C@H](C)CN(CC)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000174944017 1022271341 /nfs/dbraw/zinc/27/13/41/1022271341.db2.gz JAHXJJVACKPZKL-LBPRGKRZSA-N -1 3 324.519 3.918 20 0 DHADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000154220134 1022288693 /nfs/dbraw/zinc/28/86/93/1022288693.db2.gz ZKXFCBBIWYSYDJ-OAHLLOKOSA-N -1 3 315.369 3.757 20 0 DHADHM FC(F)(F)c1cc(N[C@H]2CCCC(F)(F)C2)nc(=S)[n-]1 ZINC001169214671 1022301504 /nfs/dbraw/zinc/30/15/04/1022301504.db2.gz HWOIUMVLFCYVSV-LURJTMIESA-N -1 3 313.295 3.774 20 0 DHADHM CCOC(=O)c1nc(C)sc1Nc1ccc(Cl)c([O-])c1 ZINC001212588431 1022349812 /nfs/dbraw/zinc/34/98/12/1022349812.db2.gz PNGVRMVDYBQHLH-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM CCOC(=O)c1c(C)nsc1Nc1ccc(Cl)c([O-])c1 ZINC001212588560 1022350098 /nfs/dbraw/zinc/35/00/98/1022350098.db2.gz UIVVAUYKQZBJNW-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM NC(=O)c1c(Nc2ccc(Cl)c([O-])c2)sc2c1CCCC2 ZINC001212588204 1022353071 /nfs/dbraw/zinc/35/30/71/1022353071.db2.gz JVPABLZPQASOHQ-UHFFFAOYSA-N -1 3 322.817 3.828 20 0 DHADHM O=c1[nH]c(Br)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212589431 1022360990 /nfs/dbraw/zinc/36/09/90/1022360990.db2.gz LCQBWSOEXMYFAU-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM CC(C)(C)OC(=O)NCc1cc(-c2ccc(=O)[n-]c2F)cs1 ZINC000854188788 1022423932 /nfs/dbraw/zinc/42/39/32/1022423932.db2.gz BJCNZVOODPESCW-UHFFFAOYSA-N -1 3 324.377 3.680 20 0 DHADHM CNc1ccc(C(=O)OC)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212592291 1022475193 /nfs/dbraw/zinc/47/51/93/1022475193.db2.gz IJNXXDCUTXIKDG-UHFFFAOYSA-N -1 3 306.749 3.618 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593526 1022488732 /nfs/dbraw/zinc/48/87/32/1022488732.db2.gz WAJKLRKOGGCJNO-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CCOC(=O)c1ccc(N)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592553 1022491471 /nfs/dbraw/zinc/49/14/71/1022491471.db2.gz WBVCNSGRVWTCLU-UHFFFAOYSA-N -1 3 306.749 3.548 20 0 DHADHM [O-]c1cc(Nc2ccc(F)cc2N2CCOCC2)ccc1Cl ZINC001212593652 1022513767 /nfs/dbraw/zinc/51/37/67/1022513767.db2.gz CLOPEDIYVAKGHY-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM CCOC(=O)c1ccc(OC)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593988 1022514633 /nfs/dbraw/zinc/51/46/33/1022514633.db2.gz OQIWEGUNKXLMLW-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM CSc1ccc(C(F)(F)F)nc1NCc1ncccc1[O-] ZINC001169733082 1022527791 /nfs/dbraw/zinc/52/77/91/1022527791.db2.gz NWJWNOCAQRGGEG-UHFFFAOYSA-N -1 3 315.320 3.535 20 0 DHADHM CSc1cnc(NCc2ncccc2[O-])c(C(F)(F)F)c1 ZINC001169734029 1022528534 /nfs/dbraw/zinc/52/85/34/1022528534.db2.gz UFCOVDPLQCLMQO-UHFFFAOYSA-N -1 3 315.320 3.535 20 0 DHADHM COC(=O)c1cc(F)c(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212595141 1022552119 /nfs/dbraw/zinc/55/21/19/1022552119.db2.gz JOKJYLLHXVZTGH-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CCCCOc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417005138 1022559905 /nfs/dbraw/zinc/55/99/05/1022559905.db2.gz DEYWGYFFJWZEEF-UHFFFAOYSA-N -1 3 313.401 3.851 20 0 DHADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2cc3sccc3c([O-])c2)n[nH]1 ZINC000855002221 1022561166 /nfs/dbraw/zinc/56/11/66/1022561166.db2.gz QJWNTKSIHHYRAX-GZMMTYOYSA-N -1 3 313.382 3.706 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(CC(F)(F)F)C2)c1 ZINC000616163533 1022650874 /nfs/dbraw/zinc/65/08/74/1022650874.db2.gz QPXRARLYLDFUSI-UHFFFAOYSA-N -1 3 319.348 3.529 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000616232592 1022675351 /nfs/dbraw/zinc/67/53/51/1022675351.db2.gz XCIAWZWLNOBPCI-UHFFFAOYSA-N -1 3 315.385 3.668 20 0 DHADHM CCSC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000856065337 1022744519 /nfs/dbraw/zinc/74/45/19/1022744519.db2.gz QFTCLVJSEVYJPV-UHFFFAOYSA-N -1 3 301.411 3.561 20 0 DHADHM CCC(CC)CCCN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000856170048 1022762607 /nfs/dbraw/zinc/76/26/07/1022762607.db2.gz ZFNICFCBCKHSFQ-UHFFFAOYSA-N -1 3 315.417 3.624 20 0 DHADHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nc(C)cs2)c1[O-] ZINC000184199653 1022775217 /nfs/dbraw/zinc/77/52/17/1022775217.db2.gz YPQCFQUSYJYRKN-SECBINFHSA-N -1 3 324.833 3.864 20 0 DHADHM CC(C)(C)c1cnc(CNCCC(C)(C)CCC(=O)[O-])s1 ZINC000417574049 1022787655 /nfs/dbraw/zinc/78/76/55/1022787655.db2.gz WLYSXPRPOHQIST-UHFFFAOYSA-N -1 3 312.479 3.811 20 0 DHADHM CC(C)c1ccc(/C=C/CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000162477095 1022847207 /nfs/dbraw/zinc/84/72/07/1022847207.db2.gz IUJFTLQAKRJWTL-DUMMIQTOSA-N -1 3 303.402 3.788 20 0 DHADHM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000617178335 1022868682 /nfs/dbraw/zinc/86/86/82/1022868682.db2.gz HRHWSLGGONMEEW-MRXNPFEDSA-N -1 3 311.381 3.692 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cnccc2Oc2ccccc2)n1 ZINC000337598737 1033092747 /nfs/dbraw/zinc/09/27/47/1033092747.db2.gz LBJJCMIUQYJEJA-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM C[C@H](N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1(C)CC1 ZINC000621906093 1022936940 /nfs/dbraw/zinc/93/69/40/1022936940.db2.gz XSYNYOAEZROTQX-VIFPVBQESA-N -1 3 301.308 3.672 20 0 DHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621920394 1022942193 /nfs/dbraw/zinc/94/21/93/1022942193.db2.gz AHYBTDNSYNSVLQ-JTQLQIEISA-N -1 3 323.261 3.719 20 0 DHADHM CCN(CCC1CC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621953976 1022957545 /nfs/dbraw/zinc/95/75/45/1022957545.db2.gz DDUONPCSUPJMLN-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM CC(F)(F)C(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000857348901 1022992249 /nfs/dbraw/zinc/99/22/49/1022992249.db2.gz XPVOQNALIQWPIF-UHFFFAOYSA-N -1 3 307.262 3.856 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCC[C@@H]1C(F)F ZINC000622014957 1022996043 /nfs/dbraw/zinc/99/60/43/1022996043.db2.gz NLNJVLOAYOGNJW-LLVKDONJSA-N -1 3 323.261 3.671 20 0 DHADHM Cc1cc(O)ccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857474226 1023016399 /nfs/dbraw/zinc/01/63/99/1023016399.db2.gz WWXIEKKETILGHG-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](C2CCCCC2)C1 ZINC000622182565 1023057940 /nfs/dbraw/zinc/05/79/40/1023057940.db2.gz LLZNKSFWGOQGPP-AWEZNQCLSA-N -1 3 303.402 3.530 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)cc1[O-] ZINC000412350353 1023101451 /nfs/dbraw/zinc/10/14/51/1023101451.db2.gz XNRIGCHIUKEVIO-ACJLOTCBSA-N -1 3 323.392 3.818 20 0 DHADHM Cc1ccc(C2=CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000053643132 1023106844 /nfs/dbraw/zinc/10/68/44/1023106844.db2.gz DYBOCRTUAABVFM-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM C[C@H](O)c1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242545486 1023195467 /nfs/dbraw/zinc/19/54/67/1023195467.db2.gz FGISTOKOYBKDJA-ZETCQYMHSA-N -1 3 300.305 3.504 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1 ZINC000769947941 1023242562 /nfs/dbraw/zinc/24/25/62/1023242562.db2.gz MIMKUWINUPYPPU-ZDUSSCGKSA-N -1 3 311.381 3.691 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1[O-] ZINC000769947953 1023243280 /nfs/dbraw/zinc/24/32/80/1023243280.db2.gz MWFMQTQXNYUGJI-CYBMUJFWSA-N -1 3 311.381 3.691 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc3ccccc3c2)n1 ZINC000660746623 1023396785 /nfs/dbraw/zinc/39/67/85/1023396785.db2.gz YKHRMPFCCMJKDP-UHFFFAOYSA-N -1 3 307.397 3.669 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc(F)c2Cl)cc1 ZINC000771651450 1023459120 /nfs/dbraw/zinc/45/91/20/1023459120.db2.gz JKNBBXVHXUKKFY-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1noc(-c2ccccc2)n1 ZINC000786033279 1023654154 /nfs/dbraw/zinc/65/41/54/1023654154.db2.gz PDLQEBPWJSIBAT-JTQLQIEISA-N -1 3 323.308 3.729 20 0 DHADHM Cc1nnc([C@H](C)OC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786131767 1023665229 /nfs/dbraw/zinc/66/52/29/1023665229.db2.gz QFWDBECGQJOYRF-ZETCQYMHSA-N -1 3 320.395 3.685 20 0 DHADHM CCc1nc(COC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000786138593 1023667309 /nfs/dbraw/zinc/66/73/09/1023667309.db2.gz WCQODOVILCPPMF-UHFFFAOYSA-N -1 3 319.407 3.983 20 0 DHADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)[N-]OC/C=C/Cl ZINC000837661008 1023691627 /nfs/dbraw/zinc/69/16/27/1023691627.db2.gz FUIHFSUWXWBKFI-FPYGCLRLSA-N -1 3 302.201 3.709 20 0 DHADHM Cc1nc2ccc(Cl)cn2c1NC(=O)c1cc(C)ccc1[O-] ZINC000786654696 1023713297 /nfs/dbraw/zinc/71/32/97/1023713297.db2.gz SVTICSCUZJTGCB-UHFFFAOYSA-N -1 3 315.760 3.562 20 0 DHADHM CCc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3o2)c([O-])c1 ZINC000787108441 1023760744 /nfs/dbraw/zinc/76/07/44/1023760744.db2.gz DVTZTBXJVICKOS-LBPRGKRZSA-N -1 3 324.380 3.629 20 0 DHADHM Cc1nc(COC(=O)CCCc2ccc([O-])c(F)c2)sc1C ZINC000787845123 1023825353 /nfs/dbraw/zinc/82/53/53/1023825353.db2.gz MOCFCTSHPSDROK-UHFFFAOYSA-N -1 3 323.389 3.671 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3cncnc3)cc2)c1 ZINC000538760986 1033176985 /nfs/dbraw/zinc/17/69/85/1033176985.db2.gz AQOVMHFFQTXGRT-UHFFFAOYSA-N -1 3 319.364 3.664 20 0 DHADHM Cc1ncc(CO)c(C=Nc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000254765397 1024008980 /nfs/dbraw/zinc/00/89/80/1024008980.db2.gz KRICJRJCTXKUEZ-UHFFFAOYSA-N -1 3 311.168 3.645 20 0 DHADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCCC(C)(C)CC ZINC000882291519 1024015955 /nfs/dbraw/zinc/01/59/55/1024015955.db2.gz GOWJARVQDKBCGF-UHFFFAOYSA-N -1 3 312.435 3.586 20 0 DHADHM Cc1cc(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])ccc1Cl ZINC000531134877 1024021368 /nfs/dbraw/zinc/02/13/68/1024021368.db2.gz AUBYECCOPFHVAQ-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM O=C(NCC[C@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000452311749 1024054543 /nfs/dbraw/zinc/05/45/43/1024054543.db2.gz GUSCNZGDROSFFO-CYBMUJFWSA-N -1 3 315.800 3.896 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CC2CC1(c1ccccc1)C2 ZINC000663316832 1024088852 /nfs/dbraw/zinc/08/88/52/1024088852.db2.gz HUKVWZRSVGKMAG-UHFFFAOYSA-N -1 3 311.356 3.645 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000789801607 1024170371 /nfs/dbraw/zinc/17/03/71/1024170371.db2.gz FGFIIPAISPKDOY-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C)c2)cc1 ZINC000187244167 1024185483 /nfs/dbraw/zinc/18/54/83/1024185483.db2.gz HALHDDKVMRHGNG-QGZVFWFLSA-N -1 3 324.380 3.892 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1=CCCCC1 ZINC000452758550 1024186238 /nfs/dbraw/zinc/18/62/38/1024186238.db2.gz SFJHWZFMMUUEMD-UHFFFAOYSA-N -1 3 310.191 3.902 20 0 DHADHM CCO[C@@H](CCNC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001137184465 1024245612 /nfs/dbraw/zinc/24/56/12/1024245612.db2.gz ZZDRCNCLBQTDCK-HNNXBMFYSA-N -1 3 321.442 3.788 20 0 DHADHM CCC(CC)N(CC(C)C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269911403 1024328598 /nfs/dbraw/zinc/32/85/98/1024328598.db2.gz GRYCLSBKCVZBPK-UHFFFAOYSA-N -1 3 323.433 3.696 20 0 DHADHM CC(C)c1ocnc1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000791044821 1024432385 /nfs/dbraw/zinc/43/23/85/1024432385.db2.gz PNELBZUFAPOIIB-UHFFFAOYSA-N -1 3 315.304 3.844 20 0 DHADHM Nc1c(Cl)cc(C(=O)Nc2cc(F)ccc2[O-])cc1Cl ZINC000132132829 1024455670 /nfs/dbraw/zinc/45/56/70/1024455670.db2.gz DUXWHXUSXOUMTL-UHFFFAOYSA-N -1 3 315.131 3.673 20 0 DHADHM CC[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC(C)(C)C ZINC000791289230 1024469524 /nfs/dbraw/zinc/46/95/24/1024469524.db2.gz RTMMLSZGPDGUTG-NSHDSACASA-N -1 3 309.387 3.507 20 0 DHADHM CO[C@]1(C)C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1(C)C ZINC000791375510 1024478870 /nfs/dbraw/zinc/47/88/70/1024478870.db2.gz PRZWYRRWAYOMPO-RHSMWYFYSA-N -1 3 319.426 3.540 20 0 DHADHM O=C([O-])[C@H]1CCCCCN1Cc1ccc(F)cc1C(F)(F)F ZINC000317188309 1024492425 /nfs/dbraw/zinc/49/24/25/1024492425.db2.gz JXAXWNOHRDNNJR-CYBMUJFWSA-N -1 3 319.298 3.674 20 0 DHADHM O=C(Nc1c([O-])cccc1Br)NC1CCCCC1 ZINC001202615664 1024612897 /nfs/dbraw/zinc/61/28/97/1024612897.db2.gz ZHFIRFXQDQUCTK-UHFFFAOYSA-N -1 3 313.195 3.609 20 0 DHADHM COc1ccccc1N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792072969 1024621093 /nfs/dbraw/zinc/62/10/93/1024621093.db2.gz AAAAFHKNVWAMNC-UHFFFAOYSA-N -1 3 307.349 3.831 20 0 DHADHM COc1ccc(C)cc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792051507 1024623302 /nfs/dbraw/zinc/62/33/02/1024623302.db2.gz MGWZVYVINAZHSD-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM CC(C)Oc1ccc(F)c(-c2cccc(-c3nnn[n-]3)c2)c1F ZINC001204669008 1024638914 /nfs/dbraw/zinc/63/89/14/1024638914.db2.gz ACSSISKUOSDNCO-UHFFFAOYSA-N -1 3 316.311 3.599 20 0 DHADHM CC(C)Oc1ccc(F)c(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001204669008 1024638923 /nfs/dbraw/zinc/63/89/23/1024638923.db2.gz ACSSISKUOSDNCO-UHFFFAOYSA-N -1 3 316.311 3.599 20 0 DHADHM CC(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1cccnc1 ZINC000278956452 1024644505 /nfs/dbraw/zinc/64/45/05/1024644505.db2.gz WCZOKAKEOYJFHE-HNNXBMFYSA-N -1 3 318.804 3.610 20 0 DHADHM CSc1ccncc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792216435 1024655567 /nfs/dbraw/zinc/65/55/67/1024655567.db2.gz SXXMXFLZZDTIQE-UHFFFAOYSA-N -1 3 310.378 3.915 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccncc1 ZINC000792291911 1024656370 /nfs/dbraw/zinc/65/63/70/1024656370.db2.gz TUEALDNUKPVEIO-UHFFFAOYSA-N -1 3 320.392 3.648 20 0 DHADHM Cc1csc(CCCCNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000278994920 1024673127 /nfs/dbraw/zinc/67/31/27/1024673127.db2.gz ZVKSNLDHQBTMFN-UHFFFAOYSA-N -1 3 324.833 3.563 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000263066159 1024726159 /nfs/dbraw/zinc/72/61/59/1024726159.db2.gz OAMZFCNYOZIJRS-KGLIPLIRSA-N -1 3 315.369 3.615 20 0 DHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OCc1cccnc1 ZINC000792604735 1024731083 /nfs/dbraw/zinc/73/10/83/1024731083.db2.gz NURRKIBUDXOHJH-GDBMZVCRSA-N -1 3 310.397 3.619 20 0 DHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)c(Cl)c1 ZINC000800205262 1024738469 /nfs/dbraw/zinc/73/84/69/1024738469.db2.gz FQIUNZRADMZVBW-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)c(Cl)c1 ZINC000800205262 1024738486 /nfs/dbraw/zinc/73/84/86/1024738486.db2.gz FQIUNZRADMZVBW-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)c(Cl)c1 ZINC000800205262 1024738498 /nfs/dbraw/zinc/73/84/98/1024738498.db2.gz FQIUNZRADMZVBW-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)c(Cl)c1 ZINC000800205263 1024739876 /nfs/dbraw/zinc/73/98/76/1024739876.db2.gz FQIUNZRADMZVBW-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(F)c(Cl)c1 ZINC000800205263 1024739891 /nfs/dbraw/zinc/73/98/91/1024739891.db2.gz FQIUNZRADMZVBW-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)c(Cl)c1 ZINC000800205263 1024739901 /nfs/dbraw/zinc/73/99/01/1024739901.db2.gz FQIUNZRADMZVBW-QMMMGPOBSA-N -1 3 319.723 3.668 20 0 DHADHM O=C(OCc1ccc(Cl)nc1Cl)c1cc2occc2[n-]1 ZINC000800218840 1024742651 /nfs/dbraw/zinc/74/26/51/1024742651.db2.gz BMXNXEZZAZMSHI-UHFFFAOYSA-N -1 3 311.124 3.820 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1cc(F)ccc1F ZINC001202644826 1024761327 /nfs/dbraw/zinc/76/13/27/1024761327.db2.gz CKGLQIAMEBSSLG-UHFFFAOYSA-N -1 3 305.240 3.857 20 0 DHADHM Cc1nnc(-c2cc3cc(Br)ccc3cc2[O-])o1 ZINC001253387370 1024763117 /nfs/dbraw/zinc/76/31/17/1024763117.db2.gz NLDJLZQUTURQHU-UHFFFAOYSA-N -1 3 305.131 3.666 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c1cc(F)cc2F ZINC000349887702 1024766058 /nfs/dbraw/zinc/76/60/58/1024766058.db2.gz DQFPPZPNRFIEDR-UHFFFAOYSA-N -1 3 309.699 3.527 20 0 DHADHM CN(Cc1cc(F)cc(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000350615291 1024830151 /nfs/dbraw/zinc/83/01/51/1024830151.db2.gz DEOOUEYHLMCIQN-UHFFFAOYSA-N -1 3 311.715 3.596 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1OCC ZINC000319893825 1024884560 /nfs/dbraw/zinc/88/45/60/1024884560.db2.gz XJAGJEFIBJSEBT-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666329451 1024955201 /nfs/dbraw/zinc/95/52/01/1024955201.db2.gz NLYYUWXXSVBGGW-IEBDPFPHSA-N -1 3 310.191 3.529 20 0 DHADHM C[C@H]1CCCC[C@H]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000606690130 1024962049 /nfs/dbraw/zinc/96/20/49/1024962049.db2.gz MBZDTCQTWPJWMZ-JSGCOSHPSA-N -1 3 308.397 3.547 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000120499934 1025038595 /nfs/dbraw/zinc/03/85/95/1025038595.db2.gz HKUCNGKEQDVITO-LBPRGKRZSA-N -1 3 313.426 3.898 20 0 DHADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436702482 1025192313 /nfs/dbraw/zinc/19/23/13/1025192313.db2.gz FFKLKUWVPABXEC-GUYCJALGSA-N -1 3 311.381 3.624 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2ccc(SC)o2)s1 ZINC000112228632 1025239963 /nfs/dbraw/zinc/23/99/63/1025239963.db2.gz ONOHCQGISXVZAC-UHFFFAOYSA-N -1 3 311.432 3.838 20 0 DHADHM Cc1ccc(C[C@]2(C)CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000877203665 1033270554 /nfs/dbraw/zinc/27/05/54/1033270554.db2.gz NQSMQJYQCVXAMI-FQEVSTJZSA-N -1 3 324.424 3.520 20 0 DHADHM CCc1cc2c([n-]c(CO[C@H]3CCCC[C@H]3C)nc2=O)s1 ZINC000063579595 1025600462 /nfs/dbraw/zinc/60/04/62/1025600462.db2.gz VECFVLKRAUYYRX-MFKMUULPSA-N -1 3 306.431 3.642 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)c3ccccc32)cc1[O-] ZINC000666679221 1025606690 /nfs/dbraw/zinc/60/66/90/1025606690.db2.gz KSWOSDVUTHNTHZ-LBPRGKRZSA-N -1 3 309.365 3.749 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000129589920 1025623171 /nfs/dbraw/zinc/62/31/71/1025623171.db2.gz MNIFYBAFEAWJTM-AUUYWEPGSA-N -1 3 311.356 3.764 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC000355295235 1025672061 /nfs/dbraw/zinc/67/20/61/1025672061.db2.gz CEDDCTUQRRKYEF-OAHLLOKOSA-N -1 3 304.777 3.819 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)n1 ZINC000134154020 1025796518 /nfs/dbraw/zinc/79/65/18/1025796518.db2.gz OWCIIRGPDOTJJO-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC(C)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000075078634 1025834332 /nfs/dbraw/zinc/83/43/32/1025834332.db2.gz UGWWJORZUGRXFV-UHFFFAOYSA-N -1 3 300.383 3.577 20 0 DHADHM CC(C)OCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000075078637 1025835191 /nfs/dbraw/zinc/83/51/91/1025835191.db2.gz YYHZGXGVRWZSRU-UHFFFAOYSA-N -1 3 318.373 3.716 20 0 DHADHM O=C(Cc1ccc(O)cc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000136200305 1025860223 /nfs/dbraw/zinc/86/02/23/1025860223.db2.gz PFABAUMFMIPKNX-UHFFFAOYSA-N -1 3 312.152 3.586 20 0 DHADHM CCOCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093394144 1025900901 /nfs/dbraw/zinc/90/09/01/1025900901.db2.gz NDPIICGZGGZCIX-UHFFFAOYSA-N -1 3 318.244 3.948 20 0 DHADHM CCOc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC000041507884 1025921393 /nfs/dbraw/zinc/92/13/93/1025921393.db2.gz RAIQAZYRMUMUSA-UHFFFAOYSA-N -1 3 300.305 3.850 20 0 DHADHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccccc3[O-])nc2c1 ZINC000195374985 1025997521 /nfs/dbraw/zinc/99/75/21/1025997521.db2.gz OMUGRFWBMFXYQH-INIZCTEOSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccccc3[O-])[nH]c2c1 ZINC000195374985 1025997533 /nfs/dbraw/zinc/99/75/33/1025997533.db2.gz OMUGRFWBMFXYQH-INIZCTEOSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1ncsc1C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000729406011 1026443359 /nfs/dbraw/zinc/44/33/59/1026443359.db2.gz MJPDCYVYSYRXAK-UHFFFAOYSA-N -1 3 316.760 3.513 20 0 DHADHM CCCc1nc(-c2nc(=O)c3c(CC)c(C)sc3[n-]2)co1 ZINC000280717736 1026699201 /nfs/dbraw/zinc/69/92/01/1026699201.db2.gz BVHDNMLWKZKRMC-UHFFFAOYSA-N -1 3 303.387 3.875 20 0 DHADHM O=c1cc(CSCCOCC2CC2)nc(-c2ccccc2)[n-]1 ZINC000419417876 1026712618 /nfs/dbraw/zinc/71/26/18/1026712618.db2.gz IFPMIFDZTKAFMB-UHFFFAOYSA-N -1 3 316.426 3.509 20 0 DHADHM Cc1ccc(OC[C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000810245121 1026727920 /nfs/dbraw/zinc/72/79/20/1026727920.db2.gz RUWCKFMCPZYMOP-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CC[C@H](CCOC)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810641053 1026814994 /nfs/dbraw/zinc/81/49/94/1026814994.db2.gz QOICRXAELANRTN-SECBINFHSA-N -1 3 301.795 3.855 20 0 DHADHM O=C(OCC(F)(F)C(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810645023 1026817142 /nfs/dbraw/zinc/81/71/42/1026817142.db2.gz BCDGULHPWYMSTL-UHFFFAOYSA-N -1 3 315.675 3.940 20 0 DHADHM CC[C@H]1C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810661242 1026829577 /nfs/dbraw/zinc/82/95/77/1026829577.db2.gz STJDFWDJCALBMF-VHSXEESVSA-N -1 3 313.806 3.997 20 0 DHADHM CC1(C)CC[C@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)O1 ZINC000810714641 1026831773 /nfs/dbraw/zinc/83/17/73/1026831773.db2.gz KFKWAHKGRWHBMW-SECBINFHSA-N -1 3 313.806 3.997 20 0 DHADHM Cc1cc2c(cc1C)N(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000811523917 1027020335 /nfs/dbraw/zinc/02/03/35/1027020335.db2.gz GVUYFHROWGKYEO-UHFFFAOYSA-N -1 3 301.773 3.865 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421953800 1027090534 /nfs/dbraw/zinc/09/05/34/1027090534.db2.gz UHGCKJZWDXFZCR-INIZCTEOSA-N -1 3 319.420 3.893 20 0 DHADHM CN(Cc1nc2c(s1)CCCC2)Cc1c(F)ccc([O-])c1F ZINC000295319385 1027195013 /nfs/dbraw/zinc/19/50/13/1027195013.db2.gz LFGIBIPXLILWAW-UHFFFAOYSA-N -1 3 324.396 3.638 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OC/C=C\Cl ZINC000812404983 1027262907 /nfs/dbraw/zinc/26/29/07/1027262907.db2.gz NRRCVWDPBRFSOI-KMKOMSMNSA-N -1 3 323.751 3.819 20 0 DHADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000812404979 1027263389 /nfs/dbraw/zinc/26/33/89/1027263389.db2.gz NKFJSFZSEFKMNF-WEVVVXLNSA-N -1 3 311.809 3.653 20 0 DHADHM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OC/C=C/Cl ZINC000812404523 1027268336 /nfs/dbraw/zinc/26/83/36/1027268336.db2.gz FQWHUZOABPPGIX-NYYWCZLTSA-N -1 3 323.820 3.741 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2Cl)OC)c1 ZINC000812427027 1027279539 /nfs/dbraw/zinc/27/95/39/1027279539.db2.gz NOVMKPQJCNBEGT-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)[N-]OC/C=C/Cl)C1 ZINC000812407992 1027284148 /nfs/dbraw/zinc/28/41/48/1027284148.db2.gz LNVHDEAROHVYEN-ILJFBXALSA-N -1 3 317.857 3.942 20 0 DHADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000812407617 1027284200 /nfs/dbraw/zinc/28/42/00/1027284200.db2.gz JMSGMEVRDCSMBC-KADSFNECSA-N -1 3 311.809 3.769 20 0 DHADHM O=C(NOC/C=C/Cl)c1cc(Oc2ccccc2)ccc1[O-] ZINC000812406996 1027284359 /nfs/dbraw/zinc/28/43/59/1027284359.db2.gz UJASUUSKKUTPAR-RUDMXATFSA-N -1 3 319.744 3.598 20 0 DHADHM CCO[N-]C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000045870971 1027288661 /nfs/dbraw/zinc/28/86/61/1027288661.db2.gz JHECDMWWIZJCRT-UHFFFAOYSA-N -1 3 321.461 3.988 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1[O-] ZINC000573705440 1027319501 /nfs/dbraw/zinc/31/95/01/1027319501.db2.gz UTAFLBGQTGLQMP-UHFFFAOYSA-N -1 3 320.348 3.638 20 0 DHADHM Cc1ccc(Cl)cc1N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001170680744 1027322820 /nfs/dbraw/zinc/32/28/20/1027322820.db2.gz IMLXJDZGOJAMQZ-UHFFFAOYSA-N -1 3 303.793 3.658 20 0 DHADHM Cc1cccc(OC[C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000574243552 1027377985 /nfs/dbraw/zinc/37/79/85/1027377985.db2.gz LAPFUIILWCVXQY-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1Cl)[N-]OC1CCC1 ZINC000812788226 1027405001 /nfs/dbraw/zinc/40/50/01/1027405001.db2.gz RCLGFTUIDCDQMY-UHFFFAOYSA-N -1 3 318.200 3.753 20 0 DHADHM CC(C)(C)c1ccc(OCCCC(=O)[N-]OC2CCC2)cc1 ZINC000812789459 1027404798 /nfs/dbraw/zinc/40/47/98/1027404798.db2.gz ANYOTQQVBWYSNJ-UHFFFAOYSA-N -1 3 305.418 3.743 20 0 DHADHM CO[C@](C)(COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000813186530 1027556013 /nfs/dbraw/zinc/55/60/13/1027556013.db2.gz QZMQEURBSLRVHN-CQSZACIVSA-N -1 3 313.806 3.855 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)o1 ZINC000363323080 1027595524 /nfs/dbraw/zinc/59/55/24/1027595524.db2.gz QSDHBTCOHKWWRK-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM O=C(OCc1ccc(Cl)cn1)c1cc(F)cc(Cl)c1[O-] ZINC000778126779 1027616024 /nfs/dbraw/zinc/61/60/24/1027616024.db2.gz TWNQNZTTYJKIMW-UHFFFAOYSA-N -1 3 316.115 3.590 20 0 DHADHM CCOC(=O)c1c(OC)cccc1-c1cc(Cl)ccc1[O-] ZINC001245057267 1027677405 /nfs/dbraw/zinc/67/74/05/1027677405.db2.gz LTGUQLGMUFMJLF-UHFFFAOYSA-N -1 3 306.745 3.898 20 0 DHADHM COc1cccc(SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000364741162 1027878057 /nfs/dbraw/zinc/87/80/57/1027878057.db2.gz SZLWLEBKFJFERH-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM COc1cnc([C@@H]2CCCN2CC[C@@H]2CCC[C@@H](C)C2)[n-]c1=O ZINC000934272209 1027948705 /nfs/dbraw/zinc/94/87/05/1027948705.db2.gz FSOQJLRFNNRGMT-ILXRZTDVSA-N -1 3 319.449 3.544 20 0 DHADHM CC[C@@H](C)CN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563279215 1027978554 /nfs/dbraw/zinc/97/85/54/1027978554.db2.gz QHQUAGDFYCRMBN-GFCCVEGCSA-N -1 3 302.374 3.518 20 0 DHADHM CC(C)(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448741846 1028027692 /nfs/dbraw/zinc/02/76/92/1028027692.db2.gz XUHKIYJYMKAMDG-GOSISDBHSA-N -1 3 315.388 3.977 20 0 DHADHM O=C(OCCC1CCOCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000814478128 1028070217 /nfs/dbraw/zinc/07/02/17/1028070217.db2.gz LEBDUMWOVYCTCZ-UHFFFAOYSA-N -1 3 313.806 3.856 20 0 DHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cn(-c2ccccc2)nc1C ZINC000563539480 1028103031 /nfs/dbraw/zinc/10/30/31/1028103031.db2.gz SCXSZZANURNCQF-OAHLLOKOSA-N -1 3 321.446 3.501 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)c2cc(Cl)ccc2C)c1 ZINC000565441675 1028589341 /nfs/dbraw/zinc/58/93/41/1028589341.db2.gz PWJRTQUPBSQAGE-UHFFFAOYSA-N -1 3 305.761 3.639 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC2(CCC2)CC1 ZINC000627182137 1028739183 /nfs/dbraw/zinc/73/91/83/1028739183.db2.gz JXMZGVTYMCOMNV-UHFFFAOYSA-N -1 3 324.218 3.561 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC2CC(OC(C)(C)C)C2)c1[O-] ZINC000566622517 1028754695 /nfs/dbraw/zinc/75/46/95/1028754695.db2.gz VXWZFTCDXSXEIR-UHFFFAOYSA-N -1 3 319.401 3.517 20 0 DHADHM CC(C)Oc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000816536393 1028924382 /nfs/dbraw/zinc/92/43/82/1028924382.db2.gz VFPSKIKONCNPHC-UHFFFAOYSA-N -1 3 307.340 3.747 20 0 DHADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001135680138 1028994534 /nfs/dbraw/zinc/99/45/34/1028994534.db2.gz XKEYWSNHEDRYEG-UHFFFAOYSA-N -1 3 324.167 3.619 20 0 DHADHM CC(C)c1ccc(-c2nc(-c3cnn(C)c3Cl)no2)c([O-])c1 ZINC000817094982 1029075767 /nfs/dbraw/zinc/07/57/67/1029075767.db2.gz MYWMXWFMIJDEQI-UHFFFAOYSA-N -1 3 318.764 3.620 20 0 DHADHM COc1ccccc1CC(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000779319626 1029092560 /nfs/dbraw/zinc/09/25/60/1029092560.db2.gz CNBXETBUEZRANH-UHFFFAOYSA-N -1 3 305.418 3.644 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2cc(C)cc(C)c2)c1[O-] ZINC000568671584 1029110177 /nfs/dbraw/zinc/11/01/77/1029110177.db2.gz BSYGRWWLMLTWNB-UHFFFAOYSA-N -1 3 311.381 3.783 20 0 DHADHM O=C(Oc1ccc2oc3ccccc3c2c1)c1cncc([O-])c1 ZINC001135911289 1029147704 /nfs/dbraw/zinc/14/77/04/1029147704.db2.gz BLDSUMXZGRZIDK-UHFFFAOYSA-N -1 3 305.289 3.906 20 0 DHADHM CCCOC1(CNCc2c(F)ccc([O-])c2F)CCCCC1 ZINC000569131918 1029181392 /nfs/dbraw/zinc/18/13/92/1029181392.db2.gz HZGFPNROLRJJJN-UHFFFAOYSA-N -1 3 313.388 3.890 20 0 DHADHM C[C@@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)C(F)(F)F ZINC001228353511 1029208830 /nfs/dbraw/zinc/20/88/30/1029208830.db2.gz ZYVMNBDOQULMMB-MRVPVSSYSA-N -1 3 300.305 3.762 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])c2ccccc21 ZINC000818000263 1029303432 /nfs/dbraw/zinc/30/34/32/1029303432.db2.gz LXNBAGDGMNKWJY-OAHLLOKOSA-N -1 3 310.397 3.765 20 0 DHADHM COC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C)o1 ZINC000191266836 1029340183 /nfs/dbraw/zinc/34/01/83/1029340183.db2.gz GFRUXRNRSZJZRS-GFCCVEGCSA-N -1 3 313.756 3.563 20 0 DHADHM O=c1cc(CSCC[C@H]2CC2(Cl)Cl)nc(C2CC2)[n-]1 ZINC000818153559 1029342569 /nfs/dbraw/zinc/34/25/69/1029342569.db2.gz LNMGNOAIMKEXOY-VIFPVBQESA-N -1 3 319.257 3.877 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC2CC(c3ccccc3)C2)cc1[O-] ZINC000412336889 1029409286 /nfs/dbraw/zinc/40/92/86/1029409286.db2.gz YNSRQFSZEVARRS-UHFFFAOYSA-N -1 3 323.392 3.518 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(C2CC2)oc1C1CC1 ZINC000820175594 1029693061 /nfs/dbraw/zinc/69/30/61/1029693061.db2.gz GRVGEDXYEUVQJR-UHFFFAOYSA-N -1 3 323.352 3.869 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000450966706 1029752538 /nfs/dbraw/zinc/75/25/38/1029752538.db2.gz ZAGBMOXCWIDTLZ-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM CN(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000530267825 1029794744 /nfs/dbraw/zinc/79/47/44/1029794744.db2.gz ZCXCUFFXDGDMCM-UHFFFAOYSA-N -1 3 318.804 3.622 20 0 DHADHM C[C@H]1CC=CC[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000357336829 1030003694 /nfs/dbraw/zinc/00/36/94/1030003694.db2.gz MNAXWSKELXMDFQ-WCQYABFASA-N -1 3 322.368 3.759 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000794870112 1030032621 /nfs/dbraw/zinc/03/26/21/1030032621.db2.gz KWLDGTHGJZUDPV-AWEZNQCLSA-N -1 3 313.397 3.897 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1[O-] ZINC000530880455 1030046278 /nfs/dbraw/zinc/04/62/78/1030046278.db2.gz YWMNVPHFRSQUSZ-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000357648445 1030139293 /nfs/dbraw/zinc/13/92/93/1030139293.db2.gz BCQNMUDBNBKTOC-JSGCOSHPSA-N -1 3 301.773 3.579 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(OC(F)F)c1 ZINC000533160254 1030161334 /nfs/dbraw/zinc/16/13/34/1030161334.db2.gz XITSUBUOGZGSOR-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159354 1030161620 /nfs/dbraw/zinc/16/16/20/1030161620.db2.gz WLSXQQLSAYRGLU-AWEZNQCLSA-N -1 3 323.751 3.981 20 0 DHADHM O=C(CCCOc1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000533159444 1030162811 /nfs/dbraw/zinc/16/28/11/1030162811.db2.gz AQDSQDCQHCUBHG-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1cccc([O-])c1F ZINC000557598269 1030209313 /nfs/dbraw/zinc/20/93/13/1030209313.db2.gz UWDRRQRASIPDFI-UHFFFAOYSA-N -1 3 303.333 3.921 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCc2ccccc2CC1 ZINC001136806535 1030452890 /nfs/dbraw/zinc/45/28/90/1030452890.db2.gz QYPQDRSRTXKPRX-UHFFFAOYSA-N -1 3 323.417 3.848 20 0 DHADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OCCC(F)(F)F ZINC000867550689 1030462709 /nfs/dbraw/zinc/46/27/09/1030462709.db2.gz QUWQYTCQRGNNAP-UHFFFAOYSA-N -1 3 311.250 3.557 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072837651 1030581256 /nfs/dbraw/zinc/58/12/56/1030581256.db2.gz MMBLEYNUHYPFLS-WDEREUQCSA-N -1 3 323.487 3.503 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1(C)C ZINC001136924085 1030613433 /nfs/dbraw/zinc/61/34/33/1030613433.db2.gz NXJDTIKZOSHHDM-SJORKVTESA-N -1 3 319.445 3.791 20 0 DHADHM COc1ccc2cccnc2c1Nc1ccc([O-])c(F)c1F ZINC001212016171 1030671676 /nfs/dbraw/zinc/67/16/76/1030671676.db2.gz BIYMSEUIYOQHPF-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COC(=O)[C@@H](C)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212016484 1030675897 /nfs/dbraw/zinc/67/58/97/1030675897.db2.gz RTKCLTJVXAOWBC-VIFPVBQESA-N -1 3 307.296 3.691 20 0 DHADHM Cc1cc(CN2CCC(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000319659998 1030835233 /nfs/dbraw/zinc/83/52/33/1030835233.db2.gz QYLJFEXELCNBEP-UHFFFAOYSA-N -1 3 313.397 3.741 20 0 DHADHM CCc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1[O-] ZINC001143752695 1030946283 /nfs/dbraw/zinc/94/62/83/1030946283.db2.gz AGJJTEDMANJDGE-UHFFFAOYSA-N -1 3 313.401 3.909 20 0 DHADHM CCCCCC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053299516 1031016583 /nfs/dbraw/zinc/01/65/83/1031016583.db2.gz HCKQQBRJVDXMOO-CYBMUJFWSA-N -1 3 300.402 3.617 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2c(C)cccc2[O-])c1C1CC1 ZINC000626303413 1031094613 /nfs/dbraw/zinc/09/46/13/1031094613.db2.gz ASKAEWOXBOORCS-GFCCVEGCSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871209952 1031161250 /nfs/dbraw/zinc/16/12/50/1031161250.db2.gz NFKGNWOZNRKCIC-UHFFFAOYSA-N -1 3 319.323 3.544 20 0 DHADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OCCCC(F)(F)F ZINC000871213249 1031162671 /nfs/dbraw/zinc/16/26/71/1031162671.db2.gz NJQBXLSCHADMSC-CYBMUJFWSA-N -1 3 315.335 3.887 20 0 DHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC000871270030 1031178583 /nfs/dbraw/zinc/17/85/83/1031178583.db2.gz XEQWLQLYQQHUJH-UHFFFAOYSA-N -1 3 314.238 3.669 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000626320143 1031195902 /nfs/dbraw/zinc/19/59/02/1031195902.db2.gz MAVWUFPWRWNCCQ-UHFFFAOYSA-N -1 3 315.417 3.929 20 0 DHADHM O=C(NCCC1(c2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000927542125 1031197125 /nfs/dbraw/zinc/19/71/25/1031197125.db2.gz PLCYNWCNYSYFON-UHFFFAOYSA-N -1 3 315.800 3.897 20 0 DHADHM O=C([N-]c1ccc(Cl)cc1F)c1cc(-c2ccccn2)no1 ZINC000360171067 1031307711 /nfs/dbraw/zinc/30/77/11/1031307711.db2.gz QGMRPCZJLONUME-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c(c1)CCCCC2 ZINC000844807009 1031350482 /nfs/dbraw/zinc/35/04/82/1031350482.db2.gz YXIPPNUJLZCZNN-INIZCTEOSA-N -1 3 304.390 3.535 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)CCCCC2 ZINC000844807009 1031350489 /nfs/dbraw/zinc/35/04/89/1031350489.db2.gz YXIPPNUJLZCZNN-INIZCTEOSA-N -1 3 304.390 3.535 20 0 DHADHM CCOc1cccc(F)c1CN[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000871874262 1031363355 /nfs/dbraw/zinc/36/33/55/1031363355.db2.gz JSWHBAYAFOFUGI-CQSZACIVSA-N -1 3 311.397 3.594 20 0 DHADHM CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872018875 1031401139 /nfs/dbraw/zinc/40/11/39/1031401139.db2.gz QFWMAKPIMVWEBX-VXGBXAGGSA-N -1 3 316.376 3.902 20 0 DHADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC000872019208 1031402876 /nfs/dbraw/zinc/40/28/76/1031402876.db2.gz UOZLGYASBIABFA-NEPJUHHUSA-N -1 3 317.360 3.714 20 0 DHADHM COc1cccc(C2(N[C@H](C)c3cccc([O-])c3F)CC2)c1 ZINC000872054824 1031444832 /nfs/dbraw/zinc/44/48/32/1031444832.db2.gz BZFZLBDAOOYMCQ-GFCCVEGCSA-N -1 3 301.361 3.880 20 0 DHADHM C[C@H](NCc1ccc2c(n1)CCCC2)c1cccc([O-])c1F ZINC000872065754 1031460052 /nfs/dbraw/zinc/46/00/52/1031460052.db2.gz AZSIGLBIUOKXJP-LBPRGKRZSA-N -1 3 300.377 3.656 20 0 DHADHM CC(C)c1csc(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000845331088 1031538058 /nfs/dbraw/zinc/53/80/58/1031538058.db2.gz PPDHMYKOPACXPG-UHFFFAOYSA-N -1 3 307.444 3.932 20 0 DHADHM O=C([O-])c1csc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000872159023 1031540318 /nfs/dbraw/zinc/54/03/18/1031540318.db2.gz LETNERIBIWHVLA-UHFFFAOYSA-N -1 3 307.337 3.611 20 0 DHADHM CCC(C)(C)CCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166654 1031547784 /nfs/dbraw/zinc/54/77/84/1031547784.db2.gz MDMMYABPOUZJEH-UHFFFAOYSA-N -1 3 305.418 3.578 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccncc1 ZINC000293735757 1031596809 /nfs/dbraw/zinc/59/68/09/1031596809.db2.gz ATNCKTXEAXZWLP-HNNXBMFYSA-N -1 3 316.788 3.664 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc2ccccc2s1 ZINC001144617750 1031767916 /nfs/dbraw/zinc/76/79/16/1031767916.db2.gz SWEFSIBDVVPIMA-UHFFFAOYSA-N -1 3 301.342 3.927 20 0 DHADHM Cc1[nH]c2c(cccc2NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC001144631129 1031781269 /nfs/dbraw/zinc/78/12/69/1031781269.db2.gz HXSNXIGGKNUMPP-UHFFFAOYSA-N -1 3 312.344 3.811 20 0 DHADHM CC1(C)CC[C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC001142532085 1031955497 /nfs/dbraw/zinc/95/54/97/1031955497.db2.gz WPKUGFOVXSFZQO-INIZCTEOSA-N -1 3 311.381 3.640 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OC[C@@H]1CCC(F)(F)C1 ZINC000842030395 1031956538 /nfs/dbraw/zinc/95/65/38/1031956538.db2.gz XFBDQPIXBHYJNU-CYBMUJFWSA-N -1 3 319.351 3.866 20 0 DHADHM Cc1ccc2c(c1C)OC[C@@H]2NCc1c(F)ccc([O-])c1F ZINC000294368707 1031961196 /nfs/dbraw/zinc/96/11/96/1031961196.db2.gz UFVYTOBAFZOMKT-AWEZNQCLSA-N -1 3 305.324 3.511 20 0 DHADHM CC[C@H]1COC(C)(C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000846375244 1031969943 /nfs/dbraw/zinc/96/99/43/1031969943.db2.gz NKTYKDMVOPXQMX-HNNXBMFYSA-N -1 3 313.397 3.575 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H](CC)CO1 ZINC000846375243 1031970082 /nfs/dbraw/zinc/97/00/82/1031970082.db2.gz NKIYGFFCGIWHBL-JKSUJKDBSA-N -1 3 313.397 3.575 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](C(F)(F)F)C1 ZINC000888019321 1033464758 /nfs/dbraw/zinc/46/47/58/1033464758.db2.gz ODTFFOXFWLDSSG-LBPRGKRZSA-N -1 3 309.287 3.570 20 0 DHADHM Cc1c2cccc(Cl)c2oc1C(=O)Nc1ncccc1[O-] ZINC000138460838 1033521124 /nfs/dbraw/zinc/52/11/24/1033521124.db2.gz RJUZCQNVARBBJM-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM CCCCOc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1 ZINC001212709843 1033576937 /nfs/dbraw/zinc/57/69/37/1033576937.db2.gz QSSOEFCPWAMFEX-UHFFFAOYSA-N -1 3 311.341 3.683 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000862179914 1033777440 /nfs/dbraw/zinc/77/74/40/1033777440.db2.gz KQPIHOXHKWHMCV-INIZCTEOSA-N -1 3 311.381 3.713 20 0 DHADHM O=c1[n-]cncc1-c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001212753622 1033853480 /nfs/dbraw/zinc/85/34/80/1033853480.db2.gz BZWYCSZRRVDPJN-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM COc1ccc(CN[C@H](C)c2cccc([O-])c2F)c(C)c1OC ZINC000927122883 1033919884 /nfs/dbraw/zinc/91/98/84/1033919884.db2.gz LMOUOFNSPXZDDS-GFCCVEGCSA-N -1 3 319.376 3.708 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000863011581 1033976882 /nfs/dbraw/zinc/97/68/82/1033976882.db2.gz KZDQDPHNFHWOMW-NSHDSACASA-N -1 3 305.324 3.805 20 0 DHADHM CC(C)(CC(=O)[N-]OCc1ccc(F)cc1)CC(F)(F)F ZINC000879471064 1034027287 /nfs/dbraw/zinc/02/72/87/1034027287.db2.gz UBQYRRJLFPNHKQ-UHFFFAOYSA-N -1 3 307.287 3.742 20 0 DHADHM O=C(c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1)N1CCCC1 ZINC001174069299 1034128824 /nfs/dbraw/zinc/12/88/24/1034128824.db2.gz JRTCVRXIGPPHBV-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(Cl)c1O ZINC000554518581 1034192424 /nfs/dbraw/zinc/19/24/24/1034192424.db2.gz CTLGCZKUPYFTEP-GORDUTHDSA-N -1 3 318.760 3.598 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1[O-] ZINC000554583241 1034228892 /nfs/dbraw/zinc/22/88/92/1034228892.db2.gz UVJMXTDQUWEKGR-LJQANCHMSA-N -1 3 313.372 3.666 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cncc(F)c1 ZINC001174294250 1034253236 /nfs/dbraw/zinc/25/32/36/1034253236.db2.gz LNKPRBWCXZDJHT-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1cccc(Nc2ccc3n[nH]cc3c2)c1Br ZINC001174276706 1034269829 /nfs/dbraw/zinc/26/98/29/1034269829.db2.gz ZOFUORSACGJLOK-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM O=c1cc(CSCc2cccc(Cl)n2)nc(C2CC2)[n-]1 ZINC000842193970 1034318876 /nfs/dbraw/zinc/31/88/76/1034318876.db2.gz LTQNUTNDNQJHPE-UHFFFAOYSA-N -1 3 307.806 3.541 20 0 DHADHM Cc1cccc(CO[N-]C(=O)CCCCCc2cccs2)n1 ZINC000898936581 1034335970 /nfs/dbraw/zinc/33/59/70/1034335970.db2.gz XZWLJUHFNQYIOR-UHFFFAOYSA-N -1 3 318.442 3.802 20 0 DHADHM O=C([O-])CCc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000864517977 1034371424 /nfs/dbraw/zinc/37/14/24/1034371424.db2.gz RLVQBNPRDUWZNI-UHFFFAOYSA-N -1 3 309.818 3.709 20 0 DHADHM CCc1nc(CNC[C@H](CC(=O)[O-])[C@@H]2CCC[C@H](C)C2)cs1 ZINC000864532848 1034380674 /nfs/dbraw/zinc/38/06/74/1034380674.db2.gz IUFJFHLYGVVULB-MJBXVCDLSA-N -1 3 324.490 3.712 20 0 DHADHM CCS(=O)(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174464549 1034424352 /nfs/dbraw/zinc/42/43/52/1034424352.db2.gz SYVZCXFMDIKATD-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM O=c1cc(Nc2ccc3c(c2)CCCO3)[n-]n1-c1ccccc1 ZINC001174720387 1034579365 /nfs/dbraw/zinc/57/93/65/1034579365.db2.gz RBSOQASEZUGPDO-UHFFFAOYSA-N -1 3 307.353 3.647 20 0 DHADHM CC(C)(CC(=O)[N-]OCCCC(F)(F)F)CC(F)(F)F ZINC000881430152 1034592714 /nfs/dbraw/zinc/59/27/14/1034592714.db2.gz CBLMUUFMPLBHMC-UHFFFAOYSA-N -1 3 309.250 3.745 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629373468 1034602834 /nfs/dbraw/zinc/60/28/34/1034602834.db2.gz MZBQZYLTKNGIAV-UMVBOHGHSA-N -1 3 311.784 3.554 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629373561 1034603455 /nfs/dbraw/zinc/60/34/55/1034603455.db2.gz JPXSUJGAEFHMOJ-XYJFISCASA-N -1 3 316.445 3.589 20 0 DHADHM COC(=O)C1(c2ccc(Nc3c(F)cc([O-])cc3F)cc2)CC1 ZINC001175099462 1034781733 /nfs/dbraw/zinc/78/17/33/1034781733.db2.gz HVUIZWHIBXWGLB-UHFFFAOYSA-N -1 3 319.307 3.619 20 0 DHADHM CC1(C)Cc2c(Nc3c(F)cc([O-])cc3F)cccc2NC1=O ZINC001175103061 1034783819 /nfs/dbraw/zinc/78/38/19/1034783819.db2.gz SOSRHDHGSXXLRD-UHFFFAOYSA-N -1 3 318.323 3.935 20 0 DHADHM CCOc1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001175090425 1034807214 /nfs/dbraw/zinc/80/72/14/1034807214.db2.gz GAOZRUDVFXIEOW-UHFFFAOYSA-N -1 3 309.163 3.692 20 0 DHADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000192736260 1034816447 /nfs/dbraw/zinc/81/64/47/1034816447.db2.gz IWFFYMQMVZMYEQ-QMTHXVAHSA-N -1 3 307.344 3.571 20 0 DHADHM Cc1ccc(SCCC(=O)[N-]Oc2ccccc2)cc1C ZINC000773463723 1034830343 /nfs/dbraw/zinc/83/03/43/1034830343.db2.gz FILRTCYAUBHNIV-UHFFFAOYSA-N -1 3 301.411 3.896 20 0 DHADHM [O-]c1cccc(Nc2cc(CO)ccc2F)c1Br ZINC001175132953 1034832131 /nfs/dbraw/zinc/83/21/31/1034832131.db2.gz XRAFOAPVLWMBSD-UHFFFAOYSA-N -1 3 312.138 3.530 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CC(F)F)C1CCC1 ZINC000899785658 1034895247 /nfs/dbraw/zinc/89/52/47/1034895247.db2.gz GFFAMNAXAXSKGS-UHFFFAOYSA-N -1 3 323.261 3.671 20 0 DHADHM Cc1ncc(Nc2ccc(C(F)(F)F)c(Cl)c2)c(=O)[n-]1 ZINC001175260504 1034910418 /nfs/dbraw/zinc/91/04/18/1034910418.db2.gz CAPBNPMEFGETSS-UHFFFAOYSA-N -1 3 303.671 3.906 20 0 DHADHM COc1ncc(Nc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001175263300 1034911297 /nfs/dbraw/zinc/91/12/97/1034911297.db2.gz IRMIXLWPZGOAGE-UHFFFAOYSA-N -1 3 320.217 3.836 20 0 DHADHM CCc1cc(C(=O)OC)c(Nc2c(F)ccc([O-])c2F)s1 ZINC001175262778 1034911462 /nfs/dbraw/zinc/91/14/62/1034911462.db2.gz KTFULIKKQFZBDM-UHFFFAOYSA-N -1 3 313.325 3.825 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2Cc2ccc(F)cc2)c1F ZINC001175262357 1034912545 /nfs/dbraw/zinc/91/25/45/1034912545.db2.gz FPBBYINSXDKCCW-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM O=C(c1ccc(Nc2c(F)ccc([O-])c2F)cc1)N1CCCC1 ZINC001175266026 1034914582 /nfs/dbraw/zinc/91/45/82/1034914582.db2.gz SSEHXYCUOUHHJX-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(OC3CCOCC3)cc2)c1F ZINC001175269845 1034916555 /nfs/dbraw/zinc/91/65/55/1034916555.db2.gz NYBLYPDHQFTNMZ-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM O=C1c2ccc(Nc3c(F)ccc([O-])c3F)cc2CN1C1CC1 ZINC001175270950 1034916610 /nfs/dbraw/zinc/91/66/10/1034916610.db2.gz PJTSLRTXILPPDY-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2ncccc2c1 ZINC001175374919 1034958372 /nfs/dbraw/zinc/95/83/72/1034958372.db2.gz WVFBQUVNBBKTAN-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM Fc1ccc(C(F)(F)F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428831 1034979023 /nfs/dbraw/zinc/97/90/23/1034979023.db2.gz MTJDSFMVVUQATM-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM c1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC001175429757 1034979262 /nfs/dbraw/zinc/97/92/62/1034979262.db2.gz ONLDBZUDZBSILJ-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM c1cc(-c2nn[n-]n2)ccc1Nc1ccc(C2CCOCC2)cc1 ZINC001175429961 1034980391 /nfs/dbraw/zinc/98/03/91/1034980391.db2.gz XURWZPRLIKWCEC-UHFFFAOYSA-N -1 3 321.384 3.504 20 0 DHADHM Clc1cc2cnccc2c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432385 1034981199 /nfs/dbraw/zinc/98/11/99/1034981199.db2.gz DIKKJPKFVUVWHC-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Fc1cc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001175430286 1034981426 /nfs/dbraw/zinc/98/14/26/1034981426.db2.gz ODOBGWWYHNQMNG-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Cc1c2c[nH]nc2ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175472141 1034993437 /nfs/dbraw/zinc/99/34/37/1034993437.db2.gz ZHSLCOYICGZIPA-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM CCc1cc(=O)[n-]c(CSC[C@H](OC)c2ccc(F)cc2)n1 ZINC000600621039 1035014530 /nfs/dbraw/zinc/01/45/30/1035014530.db2.gz FTENOTWHEBYUCM-AWEZNQCLSA-N -1 3 322.405 3.505 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C2CCC2)C2CCC2)c1[O-] ZINC000567954599 1035098914 /nfs/dbraw/zinc/09/89/14/1035098914.db2.gz HUOGVETUDLVYAD-UHFFFAOYSA-N -1 3 301.386 3.750 20 0 DHADHM CC(C)Oc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1Cl ZINC001175874256 1035151492 /nfs/dbraw/zinc/15/14/92/1035151492.db2.gz VGOWAAGTYCJKKD-UHFFFAOYSA-N -1 3 320.776 3.675 20 0 DHADHM COC(=O)C1(c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)CC1 ZINC001175920850 1035163154 /nfs/dbraw/zinc/16/31/54/1035163154.db2.gz HQZKWYZFSVBXKG-UHFFFAOYSA-N -1 3 319.307 3.619 20 0 DHADHM C[C@H](Cc1ccsc1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000901919425 1035181984 /nfs/dbraw/zinc/18/19/84/1035181984.db2.gz AKHMNNACKFHGFG-LLVKDONJSA-N -1 3 319.401 3.575 20 0 DHADHM O=c1cc(Nc2ccccc2OC(F)F)[n-]n1-c1ccccc1 ZINC001176013144 1035185166 /nfs/dbraw/zinc/18/51/66/1035185166.db2.gz ZCHXYFZHASWZAJ-UHFFFAOYSA-N -1 3 317.295 3.923 20 0 DHADHM CN(C)C(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001176204616 1035223356 /nfs/dbraw/zinc/22/33/56/1035223356.db2.gz TUIBZVCYHKCFMO-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM O=c1cc(Nc2ccc(O)cc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001176340037 1035244482 /nfs/dbraw/zinc/24/44/82/1035244482.db2.gz XOLDKLFRAQRSRG-UHFFFAOYSA-N -1 3 311.263 3.528 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2c(F)cc(F)cc2F)c([O-])c1 ZINC001177333009 1035364970 /nfs/dbraw/zinc/36/49/70/1035364970.db2.gz VBSIRCWSLJDOCG-UHFFFAOYSA-N -1 3 323.314 3.863 20 0 DHADHM Cc1cccnc1[C@@H](NCc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000904267917 1035391294 /nfs/dbraw/zinc/39/12/94/1035391294.db2.gz KSCHGWPQZVWCGF-QGZVFWFLSA-N -1 3 312.413 3.965 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000485096901 1035473410 /nfs/dbraw/zinc/47/34/10/1035473410.db2.gz QIIMBRUPBCHJOX-JYAVWHMHSA-N -1 3 322.368 3.593 20 0 DHADHM O=C(/C=C/c1cc(F)cc(F)c1)Nc1cc([O-])cc(Cl)c1 ZINC001179567781 1035483270 /nfs/dbraw/zinc/48/32/70/1035483270.db2.gz XXYMTODYGANPNS-OWOJBTEDSA-N -1 3 309.699 3.976 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)N[C@@H]1CCc2ccccc21 ZINC001192995588 1035527073 /nfs/dbraw/zinc/52/70/73/1035527073.db2.gz NHUDPZRITZBSRV-CYBMUJFWSA-N -1 3 302.761 3.855 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000494544080 1035544770 /nfs/dbraw/zinc/54/47/70/1035544770.db2.gz CQASWNMXDPPFLV-CQSZACIVSA-N -1 3 308.397 3.786 20 0 DHADHM Cc1cc([O-])c(NC(=O)OC2CCCC2)cc1Br ZINC001193564402 1035665970 /nfs/dbraw/zinc/66/59/70/1035665970.db2.gz BZPKBUPJIIDEPS-UHFFFAOYSA-N -1 3 314.179 3.954 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])OC1CCCC1 ZINC001193555494 1035675442 /nfs/dbraw/zinc/67/54/42/1035675442.db2.gz AFKCUXGMJOQZQV-UHFFFAOYSA-N -1 3 300.152 3.646 20 0 DHADHM Cc1cc(C)c(NC(=O)c2ccc([O-])cc2C(F)(F)F)cn1 ZINC001193734768 1035710602 /nfs/dbraw/zinc/71/06/02/1035710602.db2.gz YMJBHBVBCIOWBX-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CCCCOC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001193705459 1035716369 /nfs/dbraw/zinc/71/63/69/1035716369.db2.gz OFYWFLULSGMATL-UHFFFAOYSA-N -1 3 302.168 3.812 20 0 DHADHM C[S@](=O)(=NC(=O)c1cc2occc2[n-]1)c1cccc(Cl)c1 ZINC001180602647 1035727453 /nfs/dbraw/zinc/72/74/53/1035727453.db2.gz LDTHYCXYWGPLEK-OAQYLSRUSA-N -1 3 322.773 3.711 20 0 DHADHM O=c1cc(-c2nc(C3CCCCCCC3)no2)nc(C2CC2)[n-]1 ZINC000906106572 1035769235 /nfs/dbraw/zinc/76/92/35/1035769235.db2.gz NEROVHNEHFBPJK-UHFFFAOYSA-N -1 3 314.389 3.938 20 0 DHADHM CC(C)(C(=O)Nc1cncc([O-])c1)c1ccccc1C(F)(F)F ZINC001180880824 1035781783 /nfs/dbraw/zinc/78/17/83/1035781783.db2.gz QQBJGEGOZFPQDL-UHFFFAOYSA-N -1 3 324.302 3.722 20 0 DHADHM O=C(NCCC(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC001180914059 1035784500 /nfs/dbraw/zinc/78/45/00/1035784500.db2.gz NGFADFCWGSPFGJ-UHFFFAOYSA-N -1 3 307.296 3.570 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000669844441 1035859239 /nfs/dbraw/zinc/85/92/39/1035859239.db2.gz LDLIOMHTKNFBNQ-QMMMGPOBSA-N -1 3 319.810 3.580 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2F)c1 ZINC000539846798 1035900633 /nfs/dbraw/zinc/90/06/33/1035900633.db2.gz KVWMXPCPHDYMAS-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181823760 1036007868 /nfs/dbraw/zinc/00/78/68/1036007868.db2.gz QBKBBQPYDCPOSM-KRWDZBQOSA-N -1 3 318.376 3.752 20 0 DHADHM CCc1c(NCc2cc([O-])cc(F)c2)cnn1CCC(C)C ZINC000494850600 1036088096 /nfs/dbraw/zinc/08/80/96/1036088096.db2.gz UXOOVXRTAPJADP-UHFFFAOYSA-N -1 3 305.397 3.948 20 0 DHADHM O=c1cc(C=Cc2ccc(OC(F)F)cc2)nc(C2CC2)[n-]1 ZINC000486077669 1036111382 /nfs/dbraw/zinc/11/13/82/1036111382.db2.gz RRSRYHKAPNLCFJ-BHQIHCQQSA-N -1 3 304.296 3.831 20 0 DHADHM CCCOc1ccccc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195080406 1036129453 /nfs/dbraw/zinc/12/94/53/1036129453.db2.gz BQVHLRYNINYVJD-UHFFFAOYSA-N -1 3 315.511 3.555 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCC(F)(F)F)n1 ZINC000486126997 1036139840 /nfs/dbraw/zinc/13/98/40/1036139840.db2.gz UWLFJGYONQVXBX-SREVYHEPSA-N -1 3 310.275 3.602 20 0 DHADHM COc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646565240 1036150202 /nfs/dbraw/zinc/15/02/02/1036150202.db2.gz RHHXSUWSAXRXEH-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C ZINC001195155839 1036160244 /nfs/dbraw/zinc/16/02/44/1036160244.db2.gz AYJDPRTXJZBSFJ-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM COc1ccccc1OC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001195266911 1036198672 /nfs/dbraw/zinc/19/86/72/1036198672.db2.gz WOKLIKWZIUKRFD-UHFFFAOYSA-N -1 3 307.733 3.974 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195308833 1036216642 /nfs/dbraw/zinc/21/66/42/1036216642.db2.gz VFUGZVZDRZXQKB-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC001182896748 1036476836 /nfs/dbraw/zinc/47/68/36/1036476836.db2.gz FCVLZMQGOSXATR-UHFFFAOYSA-N -1 3 310.136 3.520 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]c1C(C)C ZINC001183763256 1036663440 /nfs/dbraw/zinc/66/34/40/1036663440.db2.gz KURNVPFCVTZKQR-UHFFFAOYSA-N -1 3 309.369 3.953 20 0 DHADHM O=C(/C=C/c1cccs1)Nc1ccc(Br)cc1[O-] ZINC000915198521 1036697414 /nfs/dbraw/zinc/69/74/14/1036697414.db2.gz LHJMKPUNFWPAFW-GQCTYLIASA-N -1 3 324.199 3.868 20 0 DHADHM CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1[O-] ZINC000044028417 1036920743 /nfs/dbraw/zinc/92/07/43/1036920743.db2.gz FOWHUCFLSJITBO-JYRVWZFOSA-N -1 3 313.378 3.951 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC001198029307 1036939658 /nfs/dbraw/zinc/93/96/58/1036939658.db2.gz DPLJJGVDPSPGNI-UHFFFAOYSA-N -1 3 313.304 3.615 20 0 DHADHM O=C(C=C(C1CC1)C1CC1)Nc1cc(Br)ccc1[O-] ZINC000762819622 1036953585 /nfs/dbraw/zinc/95/35/85/1036953585.db2.gz SLJDQNLIGDXLBS-UHFFFAOYSA-N -1 3 322.202 3.840 20 0 DHADHM C[C@@H]1CC/C(=C\C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000762820001 1036953267 /nfs/dbraw/zinc/95/32/67/1036953267.db2.gz WXWRKUVHZPSQBG-YIXGCBLDSA-N -1 3 310.191 3.840 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000668844746 1036983405 /nfs/dbraw/zinc/98/34/05/1036983405.db2.gz QBTSEJVCZUSXMO-LALPHHSUSA-N -1 3 305.443 3.907 20 0 DHADHM CCOC(=O)Nc1ccc(OC(=O)c2cc3occc3[n-]2)cc1 ZINC000152344433 1037060669 /nfs/dbraw/zinc/06/06/69/1037060669.db2.gz RYCKFTFNWHDQHJ-UHFFFAOYSA-N -1 3 314.297 3.549 20 0 DHADHM Cc1c(Cl)cc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000155904817 1037097245 /nfs/dbraw/zinc/09/72/45/1037097245.db2.gz MSVJGLDZQPAOFO-GFCCVEGCSA-N -1 3 319.188 3.882 20 0 DHADHM Cc1c(Cl)cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000155904817 1037097265 /nfs/dbraw/zinc/09/72/65/1037097265.db2.gz MSVJGLDZQPAOFO-GFCCVEGCSA-N -1 3 319.188 3.882 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(C2CCC2)ccn1 ZINC001185316236 1037104521 /nfs/dbraw/zinc/10/45/21/1037104521.db2.gz UJFBSPDOGBFGSS-UHFFFAOYSA-N -1 3 302.761 3.960 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198858710 1037149782 /nfs/dbraw/zinc/14/97/82/1037149782.db2.gz GMSTVFYOYUWTEF-UHFFFAOYSA-N -1 3 305.330 3.681 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)ccc1Cl ZINC001185499482 1037164015 /nfs/dbraw/zinc/16/40/15/1037164015.db2.gz GBWBSDFUUXQQTO-UHFFFAOYSA-N -1 3 322.817 3.722 20 0 DHADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488942086 1037193827 /nfs/dbraw/zinc/19/38/27/1037193827.db2.gz PADCGNWQDVRVQS-UHFFFAOYSA-N -1 3 321.845 3.972 20 0 DHADHM Cc1cc([O-])c(NC(=O)NC2CCCC2)cc1Br ZINC001185902885 1037264255 /nfs/dbraw/zinc/26/42/55/1037264255.db2.gz QKICSPIZZRYHIK-UHFFFAOYSA-N -1 3 313.195 3.527 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1c(F)cc(F)cc1F ZINC001186021045 1037293858 /nfs/dbraw/zinc/29/38/58/1037293858.db2.gz QKSVUSNMKGBLPO-UHFFFAOYSA-N -1 3 323.230 3.996 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001186622406 1037451371 /nfs/dbraw/zinc/45/13/71/1037451371.db2.gz DSHPGBBXRMLBRU-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM Cc1cc(=O)[n-]c(CSCCCOc2ccccc2C)n1 ZINC000763214889 1037493310 /nfs/dbraw/zinc/49/33/10/1037493310.db2.gz HATYUTLDGFCGQK-UHFFFAOYSA-N -1 3 304.415 3.501 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccsc1 ZINC000055995255 1037506406 /nfs/dbraw/zinc/50/64/06/1037506406.db2.gz VJXRPHFDOAAEQT-INIZCTEOSA-N -1 3 324.405 3.567 20 0 DHADHM Cc1cc(NC(=S)Nc2ncc([O-])cc2Cl)ccc1F ZINC001201030494 1037514354 /nfs/dbraw/zinc/51/43/54/1037514354.db2.gz SGQVPMIERINOCG-UHFFFAOYSA-N -1 3 311.769 3.697 20 0 DHADHM O=S(=O)([N-][C@H](CC1CCC1)c1ccc(F)cc1)c1ccco1 ZINC001186884041 1037515309 /nfs/dbraw/zinc/51/53/09/1037515309.db2.gz QPHGPCBIAVIMCJ-OAHLLOKOSA-N -1 3 323.389 3.629 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000913020476 1037705089 /nfs/dbraw/zinc/70/50/89/1037705089.db2.gz USOKJIWTTFDMPG-ZDUSSCGKSA-N -1 3 301.308 3.683 20 0 DHADHM CCOc1ncc(Cl)cc1Nc1ncc(Cl)cc1[O-] ZINC001201507781 1037728522 /nfs/dbraw/zinc/72/85/22/1037728522.db2.gz VEKBCVYVBRKFNG-UHFFFAOYSA-N -1 3 300.145 3.631 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC(C2CCCCC2)CC1 ZINC000916436560 1037760086 /nfs/dbraw/zinc/76/00/86/1037760086.db2.gz CYPVYGGDDWGBNT-UHFFFAOYSA-N -1 3 303.402 3.530 20 0 DHADHM CN(C)C(=O)c1cc(F)cc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001201526561 1037766877 /nfs/dbraw/zinc/76/68/77/1037766877.db2.gz APMAONPCGRHBCI-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)sc1Cl ZINC001188035128 1037796209 /nfs/dbraw/zinc/79/62/09/1037796209.db2.gz QMKXUTCDKXJAJX-SNVBAGLBSA-N -1 3 321.895 3.957 20 0 DHADHM COc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C)c1C ZINC001188081704 1037808599 /nfs/dbraw/zinc/80/85/99/1037808599.db2.gz SAFUJMDSXFRFTP-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]C(C(C)C)C(C)C)sc1Cl ZINC001188087087 1037811606 /nfs/dbraw/zinc/81/16/06/1037811606.db2.gz JENDWODQVLLXFJ-UHFFFAOYSA-N -1 3 309.884 3.669 20 0 DHADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])n(Cc2ccccc2)n1 ZINC000219361483 1037835230 /nfs/dbraw/zinc/83/52/30/1037835230.db2.gz QXZCIODTZGAVSU-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000123486218 1037854031 /nfs/dbraw/zinc/85/40/31/1037854031.db2.gz VFJOJNVIOZYYRU-QGZVFWFLSA-N -1 3 312.413 3.797 20 0 DHADHM Cn1c(C(=O)Nc2cc([O-])cc(Cl)c2)ccc1C(F)(F)F ZINC001188366048 1037874892 /nfs/dbraw/zinc/87/48/92/1037874892.db2.gz SUMAUMORWRQGFS-UHFFFAOYSA-N -1 3 318.682 3.655 20 0 DHADHM [O-]c1cccc(Cl)c1CNc1ccn(Cc2ccccc2)n1 ZINC000151416941 1037890268 /nfs/dbraw/zinc/89/02/68/1037890268.db2.gz SINUCKALEJWAKO-UHFFFAOYSA-N -1 3 313.788 3.903 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC(F)F)cc1C ZINC001188648748 1037945438 /nfs/dbraw/zinc/94/54/38/1037945438.db2.gz MVIWWXFVAQUXEO-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCCc1ccccc1C(F)(F)F ZINC001188659989 1037947668 /nfs/dbraw/zinc/94/76/68/1037947668.db2.gz RGSYUEWBJJTMQJ-UHFFFAOYSA-N -1 3 323.314 3.692 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCc1nc(-c2ccccc2)cs1 ZINC001188660038 1037947803 /nfs/dbraw/zinc/94/78/03/1037947803.db2.gz SZPWCOVJNNFCIL-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1nc2ccccc2nc1Cl ZINC001188638335 1037953418 /nfs/dbraw/zinc/95/34/18/1037953418.db2.gz KSLNHKVFMYQXDX-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1c(F)cccc1F ZINC001202032357 1038010529 /nfs/dbraw/zinc/01/05/29/1038010529.db2.gz GIJOZDXEWKROTQ-UHFFFAOYSA-N -1 3 307.178 3.616 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc(-c2cc[nH]n2)c1 ZINC001189022893 1038047343 /nfs/dbraw/zinc/04/73/43/1038047343.db2.gz RILHDPBBSXNDNY-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM CSc1ccccc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000494483878 1038120440 /nfs/dbraw/zinc/12/04/40/1038120440.db2.gz OPDFEJCICBCNFJ-ZDUSSCGKSA-N -1 3 321.467 3.954 20 0 DHADHM O=S(=O)(CCCF)[N-]c1cccc2cccc(Cl)c21 ZINC001189921190 1038230308 /nfs/dbraw/zinc/23/03/08/1038230308.db2.gz HDJWJFLVWCHVCW-UHFFFAOYSA-N -1 3 301.770 3.595 20 0 DHADHM CCc1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000571777884 1038250735 /nfs/dbraw/zinc/25/07/35/1038250735.db2.gz AISVONWHEGBXDR-UHFFFAOYSA-N -1 3 307.444 3.512 20 0 DHADHM COc1ccc(-c2cccc(C(=O)Nc3ncccc3[O-])c2)cc1 ZINC001190305540 1038292899 /nfs/dbraw/zinc/29/28/99/1038292899.db2.gz BZCIIMQZYYSNJI-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C ZINC001190499360 1038341523 /nfs/dbraw/zinc/34/15/23/1038341523.db2.gz CTKKHLJVJJDNBS-UHFFFAOYSA-N -1 3 317.410 3.682 20 0 DHADHM CC(C)[C@@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccc(F)cc1 ZINC001190918272 1038407564 /nfs/dbraw/zinc/40/75/64/1038407564.db2.gz OSBIQSQAAFFICL-CQSZACIVSA-N -1 3 322.767 3.707 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)c([O-])c1 ZINC001192322692 1038630537 /nfs/dbraw/zinc/63/05/37/1038630537.db2.gz KIRHXDYVBOQGPU-UHFFFAOYSA-N -1 3 319.445 3.719 20 0 DHADHM Cc1cc(NC(=O)[N-]c2cc(-c3ccccn3)no2)ccc1F ZINC001192347985 1038635994 /nfs/dbraw/zinc/63/59/94/1038635994.db2.gz UDGCPIWVIATCGQ-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1 ZINC000590696295 1038692988 /nfs/dbraw/zinc/69/29/88/1038692988.db2.gz ZFASOLBYTDVZSG-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000573778875 1039081126 /nfs/dbraw/zinc/08/11/26/1039081126.db2.gz KEYCRRJRRNHJCL-OLZOCXBDSA-N -1 3 307.271 3.519 20 0 DHADHM O=C([O-])C[C@H](NCc1cnc(C2CCC2)s1)c1cccs1 ZINC000669472614 1039413122 /nfs/dbraw/zinc/41/31/22/1039413122.db2.gz FDIKNJOUYONPPP-LBPRGKRZSA-N -1 3 322.455 3.778 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)C(=O)c2ccc(Cl)cc2)c1[O-] ZINC000604901645 1039565727 /nfs/dbraw/zinc/56/57/27/1039565727.db2.gz PXBJVWFZFBAEGG-UHFFFAOYSA-N -1 3 324.163 3.829 20 0 DHADHM CSc1nc(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)n[n-]1 ZINC000606359706 1039847375 /nfs/dbraw/zinc/84/73/75/1039847375.db2.gz KFYRYKXQEXCQMG-NSHDSACASA-N -1 3 318.446 3.782 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2sccc2s1 ZINC000606537006 1039922984 /nfs/dbraw/zinc/92/29/84/1039922984.db2.gz RXSRPYJKKLDHMN-UHFFFAOYSA-N -1 3 307.371 3.738 20 0 DHADHM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606670960 1039946811 /nfs/dbraw/zinc/94/68/11/1039946811.db2.gz JFJYQSUVXCAWIV-KBPBESRZSA-N -1 3 308.397 3.545 20 0 DHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669556 1039947181 /nfs/dbraw/zinc/94/71/81/1039947181.db2.gz XRKJIJXTWNNVFQ-HIFRSBDPSA-N -1 3 308.397 3.689 20 0 DHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000607627089 1040223756 /nfs/dbraw/zinc/22/37/56/1040223756.db2.gz COENMPIOZYVOMY-NXEZZACHSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c([O-])c1 ZINC000059784126 1040236893 /nfs/dbraw/zinc/23/68/93/1040236893.db2.gz NXLZASYWUHYZHK-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533973357 1040461676 /nfs/dbraw/zinc/46/16/76/1040461676.db2.gz DVBGKSPNSGFRRJ-NSHDSACASA-N -1 3 305.761 3.699 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(CCSC)cc2)c1 ZINC000609014780 1040661095 /nfs/dbraw/zinc/66/10/95/1040661095.db2.gz CQPIZHJPRSQYCJ-UHFFFAOYSA-N -1 3 317.410 3.559 20 0 DHADHM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000456841448 1040942948 /nfs/dbraw/zinc/94/29/48/1040942948.db2.gz LHWWFUNXDYRXCO-INIZCTEOSA-N -1 3 315.344 3.523 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC000456850204 1040951136 /nfs/dbraw/zinc/95/11/36/1040951136.db2.gz VXVJJDLYILGUST-GOSISDBHSA-N -1 3 319.470 3.875 20 0 DHADHM Cc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1[O-] ZINC000078932915 185130831 /nfs/dbraw/zinc/13/08/31/185130831.db2.gz BSEZPUMHEBDYSV-QGZVFWFLSA-N -1 3 310.397 3.853 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc2c(F)cccc2c1 ZINC000343292013 334936204 /nfs/dbraw/zinc/93/62/04/334936204.db2.gz CZLZQQFWNRBLGP-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC(C)CC[C@@](C)(NCc1ncc(C(F)(F)F)s1)C(=O)[O-] ZINC000417534037 334954583 /nfs/dbraw/zinc/95/45/83/334954583.db2.gz NQIXUEJFDPNCRA-GFCCVEGCSA-N -1 3 324.368 3.531 20 0 DHADHM CC(C)[C@@H](CNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417538167 334960419 /nfs/dbraw/zinc/96/04/19/334960419.db2.gz TXZQXQSLUQYOGS-SECBINFHSA-N -1 3 308.180 3.579 20 0 DHADHM CC(C)c1cnc(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)s1 ZINC000417556535 334974098 /nfs/dbraw/zinc/97/40/98/334974098.db2.gz HFOLICSEYKPXMC-WBMJQRKESA-N -1 3 310.463 3.637 20 0 DHADHM O=S(=O)([N-]C1CCCCC1)c1c(Cl)cccc1Cl ZINC000005567541 181258064 /nfs/dbraw/zinc/25/80/64/181258064.db2.gz HKEKTEJTUWKCPN-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2csc(C)c2)cc1 ZINC000417575082 334995073 /nfs/dbraw/zinc/99/50/73/334995073.db2.gz ISBLCAFKEJUUMD-INIZCTEOSA-N -1 3 319.426 3.761 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CC2(CCCC2)c2ccccc21 ZINC000092124214 193165511 /nfs/dbraw/zinc/16/55/11/193165511.db2.gz UPHHMDGSZCDXFK-UHFFFAOYSA-N -1 3 309.365 3.570 20 0 DHADHM CC(C)(C)c1cnc(CN[C@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000417585622 335000563 /nfs/dbraw/zinc/00/05/63/335000563.db2.gz ZMZFCLNCQXGLRK-ZBEGNZNMSA-N -1 3 310.463 3.564 20 0 DHADHM COc1ccc(F)c(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417599039 335000897 /nfs/dbraw/zinc/00/08/97/335000897.db2.gz GZIHXQBLYFZBAK-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM C[C@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000417600033 335005403 /nfs/dbraw/zinc/00/54/03/335005403.db2.gz CTKGHEVYKJJPCF-YUMQZZPRSA-N -1 3 309.715 3.558 20 0 DHADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000417615694 335009085 /nfs/dbraw/zinc/00/90/85/335009085.db2.gz AEDQETVTBGBLPD-CHWSQXEVSA-N -1 3 307.802 3.804 20 0 DHADHM O=C([O-])CC[C@@H]1CCCC[C@@H]1NCc1ccsc1Cl ZINC000417626114 335015837 /nfs/dbraw/zinc/01/58/37/335015837.db2.gz MSEJZQYCLMONEX-JQWIXIFHSA-N -1 3 301.839 3.915 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000417629472 335018522 /nfs/dbraw/zinc/01/85/22/335018522.db2.gz QHQJJGGCBNUKFU-KBPBESRZSA-N -1 3 307.802 3.804 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000417629473 335018711 /nfs/dbraw/zinc/01/87/11/335018711.db2.gz QHQJJGGCBNUKFU-KGLIPLIRSA-N -1 3 307.802 3.804 20 0 DHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000016100681 182034171 /nfs/dbraw/zinc/03/41/71/182034171.db2.gz PZPQKJHINIWHHJ-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(F)cc(F)c1 ZINC000016129540 182035110 /nfs/dbraw/zinc/03/51/10/182035110.db2.gz IKOHCJRJVKRQDU-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM Cc1cc(Br)ccc1NC(=O)c1cccc([O-])c1 ZINC000019479605 182124909 /nfs/dbraw/zinc/12/49/09/182124909.db2.gz VGUXGQYLASRQJU-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CC(C)(C)c1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417635182 335023218 /nfs/dbraw/zinc/02/32/18/335023218.db2.gz WBNOVDIPHFRQMC-ZDUSSCGKSA-N -1 3 317.351 3.727 20 0 DHADHM C[C@@H]([C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641193 335025825 /nfs/dbraw/zinc/02/58/25/335025825.db2.gz OUABPJPQPMZTRJ-LHLIQPBNSA-N -1 3 308.230 3.644 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000563816315 335028513 /nfs/dbraw/zinc/02/85/13/335028513.db2.gz JEMJONVDWANBNS-MRXNPFEDSA-N -1 3 317.360 3.632 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)c([O-])c1 ZINC000192983010 335040199 /nfs/dbraw/zinc/04/01/99/335040199.db2.gz DMZJPONGUVMTSH-UHFFFAOYSA-N -1 3 313.401 3.827 20 0 DHADHM CC(C)n1ncc2cc(NCc3c(F)ccc([O-])c3F)cnc21 ZINC000563845315 335047894 /nfs/dbraw/zinc/04/78/94/335047894.db2.gz DFIMSVFQVNPTAW-UHFFFAOYSA-N -1 3 318.327 3.608 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000183938213 335053043 /nfs/dbraw/zinc/05/30/43/335053043.db2.gz MKCSIAJYLRFHSE-UHFFFAOYSA-N -1 3 305.403 3.830 20 0 DHADHM CC[C@H](C)Oc1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000272325448 130019930 /nfs/dbraw/zinc/01/99/30/130019930.db2.gz JEPGHYFLGNTUBD-ZDUSSCGKSA-N -1 3 315.373 3.512 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000272325448 130019933 /nfs/dbraw/zinc/01/99/33/130019933.db2.gz JEPGHYFLGNTUBD-ZDUSSCGKSA-N -1 3 315.373 3.512 20 0 DHADHM CC(C)(C)c1nc(C(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000272569588 130042526 /nfs/dbraw/zinc/04/25/26/130042526.db2.gz VBWTUURBFPLSHW-UHFFFAOYSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(C(C)(C)C)on2)c2c([O-])cccc21 ZINC000274356641 130229125 /nfs/dbraw/zinc/22/91/25/130229125.db2.gz JUNOVIRTJVHPSE-NSHDSACASA-N -1 3 314.385 3.832 20 0 DHADHM Cc1nc(C2CC2)oc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274420005 130233655 /nfs/dbraw/zinc/23/36/55/130233655.db2.gz XXANLNIGTYMQFB-JTQLQIEISA-N -1 3 312.369 3.720 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000277457518 130613244 /nfs/dbraw/zinc/61/32/44/130613244.db2.gz VLEYVIAIAMEYIL-QMTHXVAHSA-N -1 3 309.818 3.953 20 0 DHADHM O=C([N-]c1nc(-c2ccccn2)cs1)c1sccc1F ZINC000340077566 130843574 /nfs/dbraw/zinc/84/35/74/130843574.db2.gz XSOJIOSFXFWZJG-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM CON(CC(C)(C)C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000285445892 131169112 /nfs/dbraw/zinc/16/91/12/131169112.db2.gz IRIMGDYEJADBKP-SNVBAGLBSA-N -1 3 323.462 3.984 20 0 DHADHM CCC(C)(C)N(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000286315004 131230100 /nfs/dbraw/zinc/23/01/00/131230100.db2.gz PUGJDMHPWRUCAA-UHFFFAOYSA-N -1 3 304.365 3.649 20 0 DHADHM Cc1ccc(-c2noc([N-]Cc3noc4c3CCCC4)n2)cc1 ZINC000288152141 131314243 /nfs/dbraw/zinc/31/42/43/131314243.db2.gz GVNCMNXGCBSNDC-UHFFFAOYSA-N -1 3 310.357 3.524 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([O-])c1 ZINC000288885724 131343308 /nfs/dbraw/zinc/34/33/08/131343308.db2.gz ICIAXGGFCFMMCI-TXEJJXNPSA-N -1 3 315.335 3.894 20 0 DHADHM CCOc1cc(-c2noc(C3(OC)CCCCC3)n2)ccc1[O-] ZINC000289285096 131370934 /nfs/dbraw/zinc/37/09/34/131370934.db2.gz YTAOMYLXXYVCDA-UHFFFAOYSA-N -1 3 318.373 3.647 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc2c(c1)COC2 ZINC000340314538 131381588 /nfs/dbraw/zinc/38/15/88/131381588.db2.gz DQOCPLJEAXNMQK-UHFFFAOYSA-N -1 3 323.270 3.694 20 0 DHADHM [O-]C(=NOC/C=C/Cl)Nc1ccccc1N1CCCCCC1 ZINC000289430664 131385465 /nfs/dbraw/zinc/38/54/65/131385465.db2.gz DTPIQEYCJIQHID-JXMROGBWSA-N -1 3 323.824 3.873 20 0 DHADHM O=C([N-]OC/C=C/Cl)Nc1ccccc1N1CCCCCC1 ZINC000289430664 131385467 /nfs/dbraw/zinc/38/54/67/131385467.db2.gz DTPIQEYCJIQHID-JXMROGBWSA-N -1 3 323.824 3.873 20 0 DHADHM CCC1CCC(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000299104630 132089414 /nfs/dbraw/zinc/08/94/14/132089414.db2.gz NTRPGNAHYHLXOE-UHFFFAOYSA-N -1 3 312.413 3.981 20 0 DHADHM O=C([O-])C1(NCc2ccc(-c3ccccc3Cl)o2)CCC1 ZINC000340678619 132145102 /nfs/dbraw/zinc/14/51/02/132145102.db2.gz KMGNKXSCXSYSTK-UHFFFAOYSA-N -1 3 305.761 3.697 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(C(F)F)cc1 ZINC000340792262 132175811 /nfs/dbraw/zinc/17/58/11/132175811.db2.gz UXXADRUSIDNSPD-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(Cl)cc1Cl ZINC000417702760 335066012 /nfs/dbraw/zinc/06/60/12/335066012.db2.gz LBEATCCFEXEVQE-ZDUSSCGKSA-N -1 3 302.201 3.726 20 0 DHADHM CCCCC1CCC(NC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000442952655 338440039 /nfs/dbraw/zinc/44/00/39/338440039.db2.gz TUOUMDUEKMIGBE-UHFFFAOYSA-N -1 3 305.418 3.880 20 0 DHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cnn[n-]1 ZINC000194819439 335083460 /nfs/dbraw/zinc/08/34/60/335083460.db2.gz PBDFJPPONLPNHH-UHFFFAOYSA-N -1 3 316.430 3.790 20 0 DHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)c1c[n-]nn1 ZINC000194819439 335083461 /nfs/dbraw/zinc/08/34/61/335083461.db2.gz PBDFJPPONLPNHH-UHFFFAOYSA-N -1 3 316.430 3.790 20 0 DHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn[n-]n1 ZINC000194819439 335083462 /nfs/dbraw/zinc/08/34/62/335083462.db2.gz PBDFJPPONLPNHH-UHFFFAOYSA-N -1 3 316.430 3.790 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(-c3cccs3)n2)no1 ZINC000606889044 435343598 /nfs/dbraw/zinc/34/35/98/435343598.db2.gz PEFRCMXOHSVRNM-UHFFFAOYSA-N -1 3 305.384 3.674 20 0 DHADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000175431438 332890245 /nfs/dbraw/zinc/89/02/45/332890245.db2.gz WHVDRISXEJIVTH-XHDPSFHLSA-N -1 3 315.369 3.613 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1[O-] ZINC000556894055 331749727 /nfs/dbraw/zinc/74/97/27/331749727.db2.gz KFQYUGPYSQFFTB-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1[O-] ZINC000556894295 331749851 /nfs/dbraw/zinc/74/98/51/331749851.db2.gz UOVOSAYFVUGLGQ-KRWDZBQOSA-N -1 3 311.381 3.973 20 0 DHADHM C[C@@H](Sc1ccccn1)C(=O)Nc1c([O-])cccc1Cl ZINC000557180738 331775032 /nfs/dbraw/zinc/77/50/32/331775032.db2.gz KOLHONFABOUBBU-SECBINFHSA-N -1 3 308.790 3.560 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccccc1 ZINC000426772499 331990587 /nfs/dbraw/zinc/99/05/87/331990587.db2.gz KFNZRDYCNCBMOS-IBGZPJMESA-N -1 3 318.376 3.664 20 0 DHADHM COc1ccccc1[C@@H](NCc1ccc2ccccc2c1)C(=O)[O-] ZINC000426774930 332016996 /nfs/dbraw/zinc/01/69/96/332016996.db2.gz QSBCKVJWVAEZJE-LJQANCHMSA-N -1 3 321.376 3.764 20 0 DHADHM CCO[C@H](CC(=O)Nc1c([O-])cccc1Cl)C1=CCCC1 ZINC000569376622 332067998 /nfs/dbraw/zinc/06/79/98/332067998.db2.gz BMWLOAKHGAXTHN-CQSZACIVSA-N -1 3 309.793 3.890 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN(C)CC12CC3CC(CC(C3)C1)C2 ZINC000569463082 332095168 /nfs/dbraw/zinc/09/51/68/332095168.db2.gz KAFIPLBJXIKFLS-UHFFFAOYSA-N -1 3 317.429 3.934 20 0 DHADHM CCc1ccc([C@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426805639 332155741 /nfs/dbraw/zinc/15/57/41/332155741.db2.gz DIZCNJKEAFLJKA-JXCVUKRWSA-N -1 3 313.372 3.817 20 0 DHADHM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426831410 332156238 /nfs/dbraw/zinc/15/62/38/332156238.db2.gz DWVNMBUNUQKPRK-INIZCTEOSA-N -1 3 319.426 3.698 20 0 DHADHM Cc1cc(C)cc(C[C@H](NCc2ccsc2Cl)C(=O)[O-])c1 ZINC000426824049 332157883 /nfs/dbraw/zinc/15/78/83/332157883.db2.gz GGMBDRULYADWPH-AWEZNQCLSA-N -1 3 323.845 3.804 20 0 DHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1cc(F)ccc1F ZINC000426822737 332157946 /nfs/dbraw/zinc/15/79/46/332157946.db2.gz FJSXWPJKOFAJKC-KRWDZBQOSA-N -1 3 319.351 3.531 20 0 DHADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426824746 332158074 /nfs/dbraw/zinc/15/80/74/332158074.db2.gz JIOYUQVEZPTXNU-INIZCTEOSA-N -1 3 303.789 3.954 20 0 DHADHM Cc1nnc(SCc2ccc([O-])c3nc(C)ccc23)s1 ZINC000427242746 332186714 /nfs/dbraw/zinc/18/67/14/332186714.db2.gz LDWGWFAWQZANSI-UHFFFAOYSA-N -1 3 303.412 3.701 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(F)ccc2NC(C)C)c1 ZINC000533890131 332296692 /nfs/dbraw/zinc/29/66/92/332296692.db2.gz UPEWLUSOHYCKKZ-UHFFFAOYSA-N -1 3 318.348 3.613 20 0 DHADHM CC(C)(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000560036911 332304787 /nfs/dbraw/zinc/30/47/87/332304787.db2.gz YIZSSCGZRXVDCT-NSHDSACASA-N -1 3 309.715 3.752 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CCC[C@@H](O)C3)n2)c2ccccc12 ZINC000560087655 332310281 /nfs/dbraw/zinc/31/02/81/332310281.db2.gz YLCIIPUXLISQDP-NWDGAFQWSA-N -1 3 310.353 3.614 20 0 DHADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccsc1 ZINC000560444182 332339666 /nfs/dbraw/zinc/33/96/66/332339666.db2.gz KKINBWNOHQBRIX-UHFFFAOYSA-N -1 3 308.211 3.856 20 0 DHADHM COc1ccc(CN(Cc2ncccc2[O-])[C@H](C)C2CC2)cc1 ZINC000583348507 332345141 /nfs/dbraw/zinc/34/51/41/332345141.db2.gz SFICJWKBHIPYSR-CQSZACIVSA-N -1 3 312.413 3.597 20 0 DHADHM Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000531114450 332346791 /nfs/dbraw/zinc/34/67/91/332346791.db2.gz GXBIPBUNZGNMPF-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ncoc2C2CC2)c([O-])c1 ZINC000560500049 332346900 /nfs/dbraw/zinc/34/69/00/332346900.db2.gz INBWUTHDQYPJFS-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000560586458 332365600 /nfs/dbraw/zinc/36/56/00/332365600.db2.gz GPVYGXLXRYIZBV-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(Cl)c1OC ZINC000583394311 332384091 /nfs/dbraw/zinc/38/40/91/332384091.db2.gz UTNJWFXFLAZEFO-WAYWQWQTSA-N -1 3 320.776 3.722 20 0 DHADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1c([O-])cccc1Cl ZINC000560821571 332388655 /nfs/dbraw/zinc/38/86/55/332388655.db2.gz HBZDHOCKSNUBSY-NSHDSACASA-N -1 3 317.772 3.941 20 0 DHADHM O=S(=O)(Cc1ccc(C2CCC2)cc1)c1cccc([O-])c1 ZINC000518750888 332502563 /nfs/dbraw/zinc/50/25/63/332502563.db2.gz HTATZAKORFDKAX-UHFFFAOYSA-N -1 3 302.395 3.634 20 0 DHADHM [O-]c1cccnc1CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000561954462 332520497 /nfs/dbraw/zinc/52/04/97/332520497.db2.gz MGAKWSZAFFXGMW-UHFFFAOYSA-N -1 3 302.805 3.820 20 0 DHADHM CCc1cccc(-c2nc(COc3ccccc3F)no2)c1[O-] ZINC000562436881 332594028 /nfs/dbraw/zinc/59/40/28/332594028.db2.gz JEFACWKUCDJWGS-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM CC(C)COc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448752905 332660165 /nfs/dbraw/zinc/66/01/65/332660165.db2.gz YBYVCDCAPQMPFJ-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM CC[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccc(F)cc1 ZINC000569950605 332696205 /nfs/dbraw/zinc/69/62/05/332696205.db2.gz VPUBTYSJZXWIGA-AWEZNQCLSA-N -1 3 315.344 3.866 20 0 DHADHM CC[C@H](C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000570101595 332712387 /nfs/dbraw/zinc/71/23/87/332712387.db2.gz XUPGYFRTAUIHFY-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM O=C(c1cccc2[n-]nnc21)N1CCCC2(CCCCC2)CC1 ZINC000188798192 333055541 /nfs/dbraw/zinc/05/55/41/333055541.db2.gz GSENHFNRCOONJL-UHFFFAOYSA-N -1 3 312.417 3.535 20 0 DHADHM O=C(c1cccc2nn[n-]c21)N1CCCC2(CCCCC2)CC1 ZINC000188798192 333055542 /nfs/dbraw/zinc/05/55/42/333055542.db2.gz GSENHFNRCOONJL-UHFFFAOYSA-N -1 3 312.417 3.535 20 0 DHADHM O=C(c1cccc2n[n-]nc21)N1CCCC2(CCCCC2)CC1 ZINC000188798192 333055544 /nfs/dbraw/zinc/05/55/44/333055544.db2.gz GSENHFNRCOONJL-UHFFFAOYSA-N -1 3 312.417 3.535 20 0 DHADHM Cc1nc(NC(=O)c2cc([O-])ccc2C(F)(F)F)sc1C ZINC000188931581 333058698 /nfs/dbraw/zinc/05/86/98/333058698.db2.gz ARTOXFYEPFFNTE-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000460411479 333080944 /nfs/dbraw/zinc/08/09/44/333080944.db2.gz JIHLRUFOOMNCIY-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM O=S(=O)([N-]CCCCF)c1cc2cc(Cl)ccc2s1 ZINC000462121447 333143989 /nfs/dbraw/zinc/14/39/89/333143989.db2.gz OTTYGLFSEYXDRQ-UHFFFAOYSA-N -1 3 321.826 3.583 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000179543399 333152450 /nfs/dbraw/zinc/15/24/50/333152450.db2.gz MJVMHNNRBOPATA-WFASDCNBSA-N -1 3 324.380 3.547 20 0 DHADHM CC(C)(CCNCc1cccc(Cl)c1F)CCC(=O)[O-] ZINC000228246918 333168315 /nfs/dbraw/zinc/16/83/15/333168315.db2.gz OUGHXTYOHHZCHB-UHFFFAOYSA-N -1 3 301.789 3.850 20 0 DHADHM C[C@H](CCC[C@H](C)NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000228246933 333168322 /nfs/dbraw/zinc/16/83/22/333168322.db2.gz QEDNRVJVCJYWDL-MNOVXSKESA-N -1 3 301.789 3.848 20 0 DHADHM Cc1cc(C(=O)NCc2ccccc2C(F)(F)F)ccc1[O-] ZINC000318686950 333202460 /nfs/dbraw/zinc/20/24/60/333202460.db2.gz GQUQYLBBMQOCAP-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CCSc1ccccc1)CC2 ZINC000388457194 333310424 /nfs/dbraw/zinc/31/04/24/333310424.db2.gz JSDATAJJVDYZTM-UHFFFAOYSA-N -1 3 313.422 3.535 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000531198688 333331018 /nfs/dbraw/zinc/33/10/18/333331018.db2.gz JVFMBBBMWRCNBY-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531230795 333336696 /nfs/dbraw/zinc/33/66/96/333336696.db2.gz DPHGTGWUGKFYTH-RYUDHWBXSA-N -1 3 315.335 3.799 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531372811 333346886 /nfs/dbraw/zinc/34/68/86/333346886.db2.gz JNIKDXRZDROPAU-KFNAQCHYSA-N -1 3 309.381 3.844 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000531372796 333346979 /nfs/dbraw/zinc/34/69/79/333346979.db2.gz IMFWBWVSEOSAPT-OLZOCXBDSA-N -1 3 305.736 3.927 20 0 DHADHM Cc1cscc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000531386803 333348491 /nfs/dbraw/zinc/34/84/91/333348491.db2.gz TZTLMOIEBOPQGJ-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM Cc1c(Cl)cccc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000188397433 333365562 /nfs/dbraw/zinc/36/55/62/333365562.db2.gz MYUYCEVDBSKNBF-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)c([O-])c1 ZINC000185941668 333371559 /nfs/dbraw/zinc/37/15/59/333371559.db2.gz DVMRQPMARWBCFL-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM C[C@@H]1CC[C@@](CNCc2ccsc2Cl)(CC(=O)[O-])C1 ZINC000426626924 333481339 /nfs/dbraw/zinc/48/13/39/333481339.db2.gz BQKCAUFCYUKABT-YGRLFVJLSA-N -1 3 301.839 3.772 20 0 DHADHM CCCC(CCC)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000410628330 333524465 /nfs/dbraw/zinc/52/44/65/333524465.db2.gz XMRAINOOFNLVIU-UHFFFAOYSA-N -1 3 310.394 3.569 20 0 DHADHM CCc1oc(C(=O)Nc2ccc(Br)cc2[O-])cc1C ZINC000531599173 333539483 /nfs/dbraw/zinc/53/94/83/333539483.db2.gz GXQQDTRBHUDDEI-UHFFFAOYSA-N -1 3 324.174 3.871 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000426738503 333539837 /nfs/dbraw/zinc/53/98/37/333539837.db2.gz WRNWCHTWUUJOMN-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000339817350 333619922 /nfs/dbraw/zinc/61/99/22/333619922.db2.gz ZRLUTRYMJGWPQX-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccs1 ZINC000411549256 333691712 /nfs/dbraw/zinc/69/17/12/333691712.db2.gz ZJAAIKCSUMSDFA-CYBMUJFWSA-N -1 3 303.383 3.537 20 0 DHADHM CC(=O)c1ccc(C(=O)N(CC(C)C)C2CCCC2)cc1[O-] ZINC000412196650 333738432 /nfs/dbraw/zinc/73/84/32/333738432.db2.gz UHQDVRXYTACMLM-UHFFFAOYSA-N -1 3 303.402 3.636 20 0 DHADHM CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000366827920 335163808 /nfs/dbraw/zinc/16/38/08/335163808.db2.gz OFWLCCJWKNERAC-UKRRQHHQSA-N -1 3 316.426 3.565 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3ccccc3C)C2)c([O-])c1 ZINC000436835607 334004562 /nfs/dbraw/zinc/00/45/62/334004562.db2.gz AYDNMJBTVQDOQL-UHFFFAOYSA-N -1 3 307.393 3.802 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)cc3F)n2)cc1 ZINC000436872757 334013835 /nfs/dbraw/zinc/01/38/35/334013835.db2.gz UYZKCEHGFRZHPV-KGLIPLIRSA-N -1 3 314.291 3.992 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3sccc3C)no2)c1[O-] ZINC000436954198 334020953 /nfs/dbraw/zinc/02/09/53/334020953.db2.gz DYLZSNNIGBBOJQ-UHFFFAOYSA-N -1 3 302.355 3.796 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@](C)(CC)C2)c([O-])c1 ZINC000436991481 334024073 /nfs/dbraw/zinc/02/40/73/334024073.db2.gz YGNOPISLNFHZBS-SFHVURJKSA-N -1 3 305.418 3.833 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@@H]2CCCO2)no1 ZINC000273772625 334051203 /nfs/dbraw/zinc/05/12/03/334051203.db2.gz BRROGDFPCQFMTN-KRWDZBQOSA-N -1 3 322.364 3.885 20 0 DHADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000414643478 334052606 /nfs/dbraw/zinc/05/26/06/334052606.db2.gz XIKSIVWTKRCHPF-ZDUSSCGKSA-N -1 3 315.335 3.795 20 0 DHADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414660235 334060248 /nfs/dbraw/zinc/06/02/48/334060248.db2.gz UWYBMSQXDORHOR-LJQANCHMSA-N -1 3 313.372 3.789 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(Sc2ccccn2)o1 ZINC000414683013 334068246 /nfs/dbraw/zinc/06/82/46/334068246.db2.gz OQENTBASBHQXBU-UHFFFAOYSA-N -1 3 320.414 3.560 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000276359392 334075959 /nfs/dbraw/zinc/07/59/59/334075959.db2.gz PIBDOJCLVVEDTO-CYBMUJFWSA-N -1 3 315.335 3.758 20 0 DHADHM C[C@H](C[C@H](O)c1cccs1)NCc1cccc([O-])c1Cl ZINC000293156274 334195996 /nfs/dbraw/zinc/19/59/96/334195996.db2.gz FGELLPJAMMOXFC-MFKMUULPSA-N -1 3 311.834 3.709 20 0 DHADHM CC(C)ON=C([O-])Nc1ccc(COCc2ccccc2)cc1 ZINC000296923543 334237898 /nfs/dbraw/zinc/23/78/98/334237898.db2.gz PXOHLHXXVOBAKP-UHFFFAOYSA-N -1 3 314.385 3.865 20 0 DHADHM CC(C)O[N-]C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000296923543 334237901 /nfs/dbraw/zinc/23/79/01/334237901.db2.gz PXOHLHXXVOBAKP-UHFFFAOYSA-N -1 3 314.385 3.865 20 0 DHADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cc(Cl)ccc1[O-] ZINC000101652526 334342475 /nfs/dbraw/zinc/34/24/75/334342475.db2.gz DLPJDSRXZIYKDY-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000532015032 334374963 /nfs/dbraw/zinc/37/49/63/334374963.db2.gz UNVLCSVWHPRLNT-HNNXBMFYSA-N -1 3 317.429 3.976 20 0 DHADHM CC(C)c1nc2cc(NC(=O)c3c([O-])cccc3O)ccc2o1 ZINC000532045179 334386284 /nfs/dbraw/zinc/38/62/84/334386284.db2.gz ASTKQWCGSSBUGD-UHFFFAOYSA-N -1 3 312.325 3.615 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000341169026 334415237 /nfs/dbraw/zinc/41/52/37/334415237.db2.gz HJDAPLASAJHWJU-MNOVXSKESA-N -1 3 303.362 3.535 20 0 DHADHM Cc1nscc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000341218660 334418987 /nfs/dbraw/zinc/41/89/87/334418987.db2.gz CUWGBSWZYLWHMG-UHFFFAOYSA-N -1 3 302.733 3.944 20 0 DHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H](C)CC(C)(C)C)c1 ZINC000443384328 338450136 /nfs/dbraw/zinc/45/01/36/338450136.db2.gz NSNUWGAPWUOKBJ-GFCCVEGCSA-N -1 3 320.433 3.543 20 0 DHADHM CCc1ccc(-c2csc([N-]C(=O)c3csnn3)n2)s1 ZINC000342999757 334594053 /nfs/dbraw/zinc/59/40/53/334594053.db2.gz PQGGOVRYSLJUFI-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000415884356 334630045 /nfs/dbraw/zinc/63/00/45/334630045.db2.gz PUADDFIALCXNIV-UHFFFAOYSA-N -1 3 304.440 3.914 20 0 DHADHM COc1cc(Cl)c(C)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000416993893 334688718 /nfs/dbraw/zinc/68/87/18/334688718.db2.gz QWCDWOZIJSLSQR-UHFFFAOYSA-N -1 3 319.792 3.642 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000112588466 334718040 /nfs/dbraw/zinc/71/80/40/334718040.db2.gz HLMPMNUUTQXJJZ-QGZVFWFLSA-N -1 3 313.397 3.870 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000535420667 334731340 /nfs/dbraw/zinc/73/13/40/334731340.db2.gz CYLBCYVZTHWVIC-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)C(F)(F)F ZINC000443946781 338464081 /nfs/dbraw/zinc/46/40/81/338464081.db2.gz ZDEKHYRZDISSJA-GXFFZTMASA-N -1 3 323.380 3.559 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000188593741 334869761 /nfs/dbraw/zinc/86/97/61/334869761.db2.gz DHYGUVVVBMJMOI-AWEZNQCLSA-N -1 3 301.411 3.993 20 0 DHADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)C1CCCC1)c1ccco1 ZINC000188758501 334873641 /nfs/dbraw/zinc/87/36/41/334873641.db2.gz SJUXVNYFRIZMCA-MRXNPFEDSA-N -1 3 323.389 3.629 20 0 DHADHM CCC(CC)[C@@H](CCNC(=O)c1cc([O-])ccc1Cl)OC ZINC000343276703 334902274 /nfs/dbraw/zinc/90/22/74/334902274.db2.gz BZCYPNNDPJDVFS-OAHLLOKOSA-N -1 3 313.825 3.617 20 0 DHADHM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000444256944 338470535 /nfs/dbraw/zinc/47/05/35/338470535.db2.gz BPGSLIGUYUBXDW-GXSJLCMTSA-N -1 3 309.793 3.626 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc2ccccc2s1 ZINC000343895604 335204200 /nfs/dbraw/zinc/20/42/00/335204200.db2.gz GWIMVTVOTYCQKD-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(C)ccc2F)c1 ZINC000444438359 338472653 /nfs/dbraw/zinc/47/26/53/338472653.db2.gz HGPGTMKNUYQQFN-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000344058234 335214064 /nfs/dbraw/zinc/21/40/64/335214064.db2.gz KGXWKAPLOWSYCJ-UHFFFAOYSA-N -1 3 317.295 3.624 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)n1 ZINC000344367193 335244773 /nfs/dbraw/zinc/24/47/73/335244773.db2.gz IAEIJZNXJFFHLW-SWLSCSKDSA-N -1 3 315.417 3.619 20 0 DHADHM Cc1csc2[n-]c([C@H]3CSc4ccccc4O3)nc(=O)c12 ZINC000345176456 335305152 /nfs/dbraw/zinc/30/51/52/335305152.db2.gz CKSNVQFJZRRECC-SNVBAGLBSA-N -1 3 316.407 3.931 20 0 DHADHM Cc1csc2[n-]c([C@@H]3CSc4ccccc4O3)nc(=O)c12 ZINC000345176441 335305174 /nfs/dbraw/zinc/30/51/74/335305174.db2.gz CKSNVQFJZRRECC-JTQLQIEISA-N -1 3 316.407 3.931 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1C1CC1 ZINC000345195527 335307006 /nfs/dbraw/zinc/30/70/06/335307006.db2.gz ZLXCEUWUWMNAMO-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM CC(C)O[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000345977626 335367269 /nfs/dbraw/zinc/36/72/69/335367269.db2.gz IUJXYYPTWLXWEH-MRXNPFEDSA-N -1 3 303.333 3.636 20 0 DHADHM CCCc1ncc(C(=O)[N-]c2cc(F)cc(F)c2F)s1 ZINC000348127405 335550322 /nfs/dbraw/zinc/55/03/22/335550322.db2.gz RPQLKLKEXKHJAE-UHFFFAOYSA-N -1 3 300.305 3.765 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348138358 335556235 /nfs/dbraw/zinc/55/62/35/335556235.db2.gz ZLEXVPRIOUTYIM-UHFFFAOYSA-N -1 3 312.291 3.851 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nccc(C)n1 ZINC000348203583 335565481 /nfs/dbraw/zinc/56/54/81/335565481.db2.gz ALAHCNOYIVQROG-UHFFFAOYSA-N -1 3 307.806 3.803 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000583501533 335625065 /nfs/dbraw/zinc/62/50/65/335625065.db2.gz LCXKLMYKVXBXGK-MZPVMMEZSA-N -1 3 309.365 3.583 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000349607467 335684798 /nfs/dbraw/zinc/68/47/98/335684798.db2.gz CYAJGLSBSQHNHW-ZWKOTPCHSA-N -1 3 319.351 3.680 20 0 DHADHM Cc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc(C)c1O ZINC000445465863 338495591 /nfs/dbraw/zinc/49/55/91/338495591.db2.gz UODUJWRTAUMUCU-VOTSOKGWSA-N -1 3 308.337 3.935 20 0 DHADHM Cc1ccc(-c2cnc(C[S@](=O)c3cccc([O-])c3)o2)cc1 ZINC000350556059 335761463 /nfs/dbraw/zinc/76/14/63/335761463.db2.gz MKEWSJWABAPFLA-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM O=S(=O)([N-]CC1CCC(c2ccccc2)CC1)c1ccco1 ZINC000445729971 338506710 /nfs/dbraw/zinc/50/67/10/338506710.db2.gz BRZWFEUIIBNFHL-UHFFFAOYSA-N -1 3 319.426 3.532 20 0 DHADHM CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525341 336070704 /nfs/dbraw/zinc/07/07/04/336070704.db2.gz RUUUIMMQGBWXKE-JTQLQIEISA-N -1 3 311.838 3.789 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1[O-] ZINC000192538995 336074348 /nfs/dbraw/zinc/07/43/48/336074348.db2.gz MOMAEWXRIGFACD-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM C[C@@H]1CCCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000330124947 336115836 /nfs/dbraw/zinc/11/58/36/336115836.db2.gz CMNJGZPNDVSJDF-GFCCVEGCSA-N -1 3 311.385 3.704 20 0 DHADHM C[C@H]1C[C@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)CCO1 ZINC000331409742 336135210 /nfs/dbraw/zinc/13/52/10/336135210.db2.gz UWIOTKMYOYFARA-NKWVEPMBSA-N -1 3 318.320 3.698 20 0 DHADHM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])on1 ZINC000331761791 336147662 /nfs/dbraw/zinc/14/76/62/336147662.db2.gz CGUGQTUZOABHFN-OAHLLOKOSA-N -1 3 314.385 3.789 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332336069 336168991 /nfs/dbraw/zinc/16/89/91/336168991.db2.gz QCHVPPPJDWXTRN-GXTWGEPZSA-N -1 3 321.808 3.759 20 0 DHADHM COCCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCC1 ZINC000332436512 336171798 /nfs/dbraw/zinc/17/17/98/336171798.db2.gz KGRHPIVQCLNLJL-UHFFFAOYSA-N -1 3 305.418 3.835 20 0 DHADHM C[C@H]1CCc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)sc2C1 ZINC000352004924 336188016 /nfs/dbraw/zinc/18/80/16/336188016.db2.gz BJGCOZKKAQUMNY-BXKUYDPTSA-N -1 3 313.426 3.811 20 0 DHADHM O=c1cc(C=Cc2sccc2Cl)nc(-c2ccncc2)[n-]1 ZINC000352021868 336189784 /nfs/dbraw/zinc/18/97/84/336189784.db2.gz SKQDSAOVFSEBDC-OWOJBTEDSA-N -1 3 315.785 3.717 20 0 DHADHM CC1(CCNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000352112052 336195397 /nfs/dbraw/zinc/19/53/97/336195397.db2.gz PZIQWWXVNJXKDC-UHFFFAOYSA-N -1 3 309.822 3.712 20 0 DHADHM O=C(C[C@H](c1cccs1)n1cccc1)Nc1ccccc1[O-] ZINC000352184583 336200291 /nfs/dbraw/zinc/20/02/91/336200291.db2.gz SXICGVATVNXFLK-CQSZACIVSA-N -1 3 312.394 3.873 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000352262377 336208341 /nfs/dbraw/zinc/20/83/41/336208341.db2.gz GPSFONFGYHQANW-QGZVFWFLSA-N -1 3 322.412 3.784 20 0 DHADHM Cc1c([N-]C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)onc1C1CCCCC1 ZINC000333909546 336212166 /nfs/dbraw/zinc/21/21/66/336212166.db2.gz WMNUGFKCIIOJNA-JRPNMDOOSA-N -1 3 306.406 3.783 20 0 DHADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2ccccc2)cc1 ZINC000352514953 336222509 /nfs/dbraw/zinc/22/25/09/336222509.db2.gz DDFJQRHPRDZZDB-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM O=C(Nc1ccc2[nH]cnc2c1)c1cc([O-])ccc1C(F)(F)F ZINC000352627815 336227620 /nfs/dbraw/zinc/22/76/20/336227620.db2.gz YBYDMBGADOSTIF-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CCn1ncc2ccc(NCc3c(F)ccc([O-])c3F)cc21 ZINC000352816844 336250661 /nfs/dbraw/zinc/25/06/61/336250661.db2.gz MJLPBHBYOSDUFM-UHFFFAOYSA-N -1 3 303.312 3.652 20 0 DHADHM O=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)[n-]n1 ZINC000030564497 336258789 /nfs/dbraw/zinc/25/87/89/336258789.db2.gz VSOODWINKVGJSF-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM O=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)n[n-]1 ZINC000030564497 336258790 /nfs/dbraw/zinc/25/87/90/336258790.db2.gz VSOODWINKVGJSF-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1[O-] ZINC000580369801 336260982 /nfs/dbraw/zinc/26/09/82/336260982.db2.gz FDCCDVDNQZOXDB-CQSZACIVSA-N -1 3 323.392 3.729 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000532836619 336272610 /nfs/dbraw/zinc/27/26/10/336272610.db2.gz GMVSILBYHAACTG-AWEZNQCLSA-N -1 3 324.163 3.641 20 0 DHADHM Cc1c(Cl)c(CNC2(C(=O)[O-])CCCC2)nc2ccccc12 ZINC000532881848 336284928 /nfs/dbraw/zinc/28/49/28/336284928.db2.gz URAONRYWGCSZNE-UHFFFAOYSA-N -1 3 318.804 3.684 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@H](C)C3)nc2)n1 ZINC000301190147 336294135 /nfs/dbraw/zinc/29/41/35/336294135.db2.gz VUQOWQZJKLBABJ-WFASDCNBSA-N -1 3 312.417 3.797 20 0 DHADHM Cc1cc(Sc2nnc([N-]c3ccccc3F)s2)ncn1 ZINC000301233101 336295905 /nfs/dbraw/zinc/29/59/05/336295905.db2.gz ISDRMFPIDJFUQB-UHFFFAOYSA-N -1 3 319.390 3.670 20 0 DHADHM Cc1ccc(-c2noc([N-][C@@H]3CCc4c3cccc4O)n2)cc1 ZINC000302028384 336344026 /nfs/dbraw/zinc/34/40/26/336344026.db2.gz HSOORTDGLFQVBA-OAHLLOKOSA-N -1 3 307.353 3.850 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000514633100 336386954 /nfs/dbraw/zinc/38/69/54/336386954.db2.gz SNZMAULFOBHTDA-UHFFFAOYSA-N -1 3 322.330 3.971 20 0 DHADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)c(C(F)(F)F)o1 ZINC000354604544 336476382 /nfs/dbraw/zinc/47/63/82/336476382.db2.gz XQCNHCSPFDMEJE-UHFFFAOYSA-N -1 3 303.211 3.704 20 0 DHADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc([O-])c1 ZINC000357316089 336580343 /nfs/dbraw/zinc/58/03/43/336580343.db2.gz WBGPYHOYBBKHRH-QGZVFWFLSA-N -1 3 313.397 3.918 20 0 DHADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cccc([O-])c1 ZINC000357332349 336581028 /nfs/dbraw/zinc/58/10/28/336581028.db2.gz AXMSKYCHJCUUPV-UHFFFAOYSA-N -1 3 318.785 3.585 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2c(F)cccc2F)ccc1[O-] ZINC000358348856 336625457 /nfs/dbraw/zinc/62/54/57/336625457.db2.gz LWANWLXXPHXSAO-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(C)nc2C(F)F)CC)n1 ZINC000359168098 336661095 /nfs/dbraw/zinc/66/10/95/336661095.db2.gz UELZQXNSYQMUHU-JXMROGBWSA-N -1 3 322.359 3.756 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccn(Cc2ccccc2)c1 ZINC000359369352 336669648 /nfs/dbraw/zinc/66/96/48/336669648.db2.gz VWSIJLKGRHBILX-UHFFFAOYSA-N -1 3 310.328 3.633 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCCC1(C)C ZINC000193178125 336680811 /nfs/dbraw/zinc/68/08/11/336680811.db2.gz LXOGUTNLWUQYCP-NSHDSACASA-N -1 3 322.405 3.569 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC(=Cc3ccccc3)CC2)c1 ZINC000362860134 336813533 /nfs/dbraw/zinc/81/35/33/336813533.db2.gz JQERGBOXYNSTNU-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM [O-]c1cc(F)cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000369529819 336866540 /nfs/dbraw/zinc/86/65/40/336866540.db2.gz YOKATTVDFMMGNO-HNNXBMFYSA-N -1 3 317.364 3.519 20 0 DHADHM Cc1ccc([C@H](NCc2nc(C)ccc2[O-])c2ccccn2)cc1 ZINC000369544912 336866858 /nfs/dbraw/zinc/86/68/58/336866858.db2.gz BCCYUGKAQUFDDR-FQEVSTJZSA-N -1 3 319.408 3.678 20 0 DHADHM O=C([N-][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(F)F ZINC000373319545 336956363 /nfs/dbraw/zinc/95/63/63/336956363.db2.gz OMJZBUBHNAXXSH-WDEREUQCSA-N -1 3 307.262 3.723 20 0 DHADHM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000374215154 336983893 /nfs/dbraw/zinc/98/38/93/336983893.db2.gz AYRULXARJKHXLQ-DZGCQCFKSA-N -1 3 311.381 3.506 20 0 DHADHM C[C@H](c1cccnc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375368674 337009476 /nfs/dbraw/zinc/00/94/76/337009476.db2.gz UANXPJNPCYSAPB-CQSZACIVSA-N -1 3 310.397 3.720 20 0 DHADHM Cc1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000122656757 337017562 /nfs/dbraw/zinc/01/75/62/337017562.db2.gz VYRFJPMNSXRUFD-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM Cc1ccc([C@H]2CCCN2[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000375759132 337018914 /nfs/dbraw/zinc/01/89/14/337018914.db2.gz WSKIVDNRDKMIGP-CHWSQXEVSA-N -1 3 303.431 3.759 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2occ3c2CCOC3)c([O-])c1 ZINC000376046876 337025781 /nfs/dbraw/zinc/02/57/81/337025781.db2.gz VXWGFTFKHDJXAX-UHFFFAOYSA-N -1 3 315.369 3.608 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)C3CC3)c2)n1 ZINC000376602340 337037756 /nfs/dbraw/zinc/03/77/56/337037756.db2.gz NYYAGHUIVVMISQ-UHFFFAOYSA-N -1 3 311.385 3.532 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3CCCC3)c2)n1 ZINC000377440744 337052690 /nfs/dbraw/zinc/05/26/90/337052690.db2.gz YBGROTLOZSFSKB-UHFFFAOYSA-N -1 3 311.385 3.676 20 0 DHADHM O=C(C[C@@H]1OCCc2ccsc21)Nc1cc(Cl)ccc1[O-] ZINC000377533838 337054490 /nfs/dbraw/zinc/05/44/90/337054490.db2.gz MWNJTTKZKRMHIX-ZDUSSCGKSA-N -1 3 323.801 3.750 20 0 DHADHM COC(=O)c1cnc(S[C@@H]2CCCc3ccc(F)cc32)[n-]1 ZINC000193559449 337078442 /nfs/dbraw/zinc/07/84/42/337078442.db2.gz XWWLSDORQQLGBT-CYBMUJFWSA-N -1 3 306.362 3.505 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN(C)CCCCc1ccccc1 ZINC000582612112 337111646 /nfs/dbraw/zinc/11/16/46/337111646.db2.gz PAKMUDHKGDXZOO-UHFFFAOYSA-N -1 3 301.386 3.741 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N3CC4(CC4)c4ccccc43)n[n-]2)o1 ZINC000172576535 337130089 /nfs/dbraw/zinc/13/00/89/337130089.db2.gz OYIWYSFGZRDRNA-UHFFFAOYSA-N -1 3 319.364 3.670 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N3CC4(CC4)c4ccccc43)[n-]n2)o1 ZINC000172576535 337130090 /nfs/dbraw/zinc/13/00/90/337130090.db2.gz OYIWYSFGZRDRNA-UHFFFAOYSA-N -1 3 319.364 3.670 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccncc2)s1 ZINC000172703716 337130459 /nfs/dbraw/zinc/13/04/59/337130459.db2.gz ZBHIQVWVTOIFSB-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)on1 ZINC000172726401 337130611 /nfs/dbraw/zinc/13/06/11/337130611.db2.gz INHYFCDWOQJODU-VIFPVBQESA-N -1 3 316.386 3.892 20 0 DHADHM O=C([N-]c1ccc(Cl)cn1)c1c(F)c(F)cc(F)c1F ZINC000177735245 337157047 /nfs/dbraw/zinc/15/70/47/337157047.db2.gz AVSRZDBGLRCISP-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCCCC[C@@H]1c1ccco1 ZINC000179509207 337169934 /nfs/dbraw/zinc/16/99/34/337169934.db2.gz VRUZCAYVAAJZCP-KXPUMZMLSA-N -1 3 312.369 3.537 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000179551060 337170100 /nfs/dbraw/zinc/17/01/00/337170100.db2.gz PICSFBQLJNGOAG-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000181022905 337179278 /nfs/dbraw/zinc/17/92/78/337179278.db2.gz PAOZPOFDJSHDND-NSHDSACASA-N -1 3 322.405 3.569 20 0 DHADHM CC(C)c1nc(-c2ccccc2NC(=O)c2cccc([O-])c2)n[nH]1 ZINC000182164651 337186972 /nfs/dbraw/zinc/18/69/72/337186972.db2.gz TYVJRJFGOJVCJD-UHFFFAOYSA-N -1 3 322.368 3.553 20 0 DHADHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc([O-])c1 ZINC000182589668 337189167 /nfs/dbraw/zinc/18/91/67/337189167.db2.gz BZZABJVIGSJULP-UHFFFAOYSA-N -1 3 321.336 3.572 20 0 DHADHM O=C(NCC1(c2ccccc2Cl)CC1)c1cccc([O-])c1 ZINC000182954520 337190735 /nfs/dbraw/zinc/19/07/35/337190735.db2.gz BYNCUWMKGMYRRH-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2cccs2)on1 ZINC000183080849 337191299 /nfs/dbraw/zinc/19/12/99/337191299.db2.gz WFFRPXHOGGONGG-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccc(Br)cc2)c1 ZINC000184132574 337196447 /nfs/dbraw/zinc/19/64/47/337196447.db2.gz NWNBZVXNSOVKPK-UHFFFAOYSA-N -1 3 310.166 3.584 20 0 DHADHM Cc1ccc(-c2nc(C(=O)Nc3ccc([O-])cc3F)cs2)o1 ZINC000183270048 337192658 /nfs/dbraw/zinc/19/26/58/337192658.db2.gz CUHIQCZRJQWFBR-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183278375 337192783 /nfs/dbraw/zinc/19/27/83/337192783.db2.gz KLWMOWCLNZZEGM-GFCCVEGCSA-N -1 3 303.333 3.575 20 0 DHADHM O=[S@](Cc1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000184064797 337197061 /nfs/dbraw/zinc/19/70/61/337197061.db2.gz WCJSLVNBVVAMIH-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000321114737 337199267 /nfs/dbraw/zinc/19/92/67/337199267.db2.gz PEESTLGUYZTOGJ-LBPRGKRZSA-N -1 3 315.369 3.830 20 0 DHADHM [O-]c1cc(F)cc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000185604338 337249623 /nfs/dbraw/zinc/24/96/23/337249623.db2.gz FOZBRGANNRBLCZ-UHFFFAOYSA-N -1 3 308.356 3.883 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(F)cn2)no1 ZINC000321534529 337275162 /nfs/dbraw/zinc/27/51/62/337275162.db2.gz NFAYVSYCXWIAEM-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)o1 ZINC000525952241 337307679 /nfs/dbraw/zinc/30/76/79/337307679.db2.gz ZYPUJDWXMUHGPU-LLVKDONJSA-N -1 3 321.423 3.842 20 0 DHADHM CC(C)C[C@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000193121536 337308482 /nfs/dbraw/zinc/30/84/82/337308482.db2.gz GDBZDIDJPRRADQ-KRWDZBQOSA-N -1 3 323.396 3.786 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000584498687 337350476 /nfs/dbraw/zinc/35/04/76/337350476.db2.gz BBOHGFZESAQDFF-UHFFFAOYSA-N -1 3 305.761 3.762 20 0 DHADHM [O-]c1cccnc1CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000584566398 337362324 /nfs/dbraw/zinc/36/23/24/337362324.db2.gz ZUDJVKQFBOCEDT-CQSZACIVSA-N -1 3 320.845 3.807 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000584628166 337376307 /nfs/dbraw/zinc/37/63/07/337376307.db2.gz PFDXLLYPCDTYJS-WDEREUQCSA-N -1 3 310.191 3.529 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(F)ccc1F ZINC000109110113 337388091 /nfs/dbraw/zinc/38/80/91/337388091.db2.gz JRVCVJCTVHTMPR-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000110482681 337389103 /nfs/dbraw/zinc/38/91/03/337389103.db2.gz NMHZTOGCDHQNEB-CYBMUJFWSA-N -1 3 301.773 3.675 20 0 DHADHM CCc1nnc([N-]c2cnn(CC(C)C)c2C(F)F)nc1CC ZINC000428142918 337398942 /nfs/dbraw/zinc/39/89/42/337398942.db2.gz BRLWFIAWMGBADV-UHFFFAOYSA-N -1 3 324.379 3.530 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2OCCc3ccccc32)c1[O-] ZINC000123838843 337401755 /nfs/dbraw/zinc/40/17/55/337401755.db2.gz HYBZOHLKAANJRF-INIZCTEOSA-N -1 3 317.772 3.607 20 0 DHADHM Cc1cccc(CSCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000124405741 337405207 /nfs/dbraw/zinc/40/52/07/337405207.db2.gz JZWPHKMYJVJNSR-UHFFFAOYSA-N -1 3 305.374 3.712 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2cccc3cccnc32)n1 ZINC000125621162 337412998 /nfs/dbraw/zinc/41/29/98/337412998.db2.gz HAEZKOHIBYIWRT-UHFFFAOYSA-N -1 3 311.410 3.726 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3C[C@H]3c3cccnc3)n2)ccc1[O-] ZINC000351101345 337425215 /nfs/dbraw/zinc/42/52/15/337425215.db2.gz XMPGMKYNKWKRFT-UONOGXRCSA-N -1 3 323.352 3.507 20 0 DHADHM [O-]c1cccc(CNCCCN2CCc3ccccc32)c1Cl ZINC000393261542 337463737 /nfs/dbraw/zinc/46/37/37/337463737.db2.gz LGDMODPQCJBXRK-UHFFFAOYSA-N -1 3 316.832 3.588 20 0 DHADHM CC[C@H](CSCc1cc(=O)[n-]c(-c2ccccc2)n1)OC ZINC000419611533 337489162 /nfs/dbraw/zinc/48/91/62/337489162.db2.gz ZXMATWIMJJJECT-CQSZACIVSA-N -1 3 304.415 3.507 20 0 DHADHM CCCC[C@@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000262684369 337620465 /nfs/dbraw/zinc/62/04/65/337620465.db2.gz COJUGRGAXXUJLT-QGZVFWFLSA-N -1 3 316.376 3.621 20 0 DHADHM COc1ccc([C@H](NCc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000262956200 337622680 /nfs/dbraw/zinc/62/26/80/337622680.db2.gz BKBZTFGJHGXNPM-GOSISDBHSA-N -1 3 313.397 3.880 20 0 DHADHM CCCC[C@@H](NCc1ccc(Sc2ccccn2)o1)C(=O)[O-] ZINC000263409231 337628063 /nfs/dbraw/zinc/62/80/63/337628063.db2.gz KXAVTEIILBIBDB-CYBMUJFWSA-N -1 3 320.414 3.559 20 0 DHADHM O=C([O-])C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000263417559 337628374 /nfs/dbraw/zinc/62/83/74/337628374.db2.gz NUIQGZROYFLBTC-UHFFFAOYSA-N -1 3 319.401 3.851 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1C ZINC000421951421 337663687 /nfs/dbraw/zinc/66/36/87/337663687.db2.gz CVWLRKIUBVOQGW-LBPRGKRZSA-N -1 3 315.335 3.814 20 0 DHADHM CCOc1cc(-c2noc(/C=C/c3ccc(C)o3)n2)ccc1[O-] ZINC000445418274 337696496 /nfs/dbraw/zinc/69/64/96/337696496.db2.gz MJZZPNYAULHBHN-VQHVLOKHSA-N -1 3 312.325 3.913 20 0 DHADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1c1cc(Cl)c(=O)[n-]n1 ZINC000528199428 337793370 /nfs/dbraw/zinc/79/33/70/337793370.db2.gz REQVIMMLUFLFFJ-GFCCVEGCSA-N -1 3 321.783 3.747 20 0 DHADHM C[C@@H]1CC[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)O1 ZINC000528241479 337798020 /nfs/dbraw/zinc/79/80/20/337798020.db2.gz QATVNPHQEJOELX-BMIGLBTASA-N -1 3 300.358 3.561 20 0 DHADHM CCOc1cc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)ccc1[O-] ZINC000424360706 337826222 /nfs/dbraw/zinc/82/62/22/337826222.db2.gz STXYRIGAVPVPOE-NWDGAFQWSA-N -1 3 306.337 3.837 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1F ZINC000536904642 337846467 /nfs/dbraw/zinc/84/64/67/337846467.db2.gz JUGXTUZEKCVETQ-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM COc1cc(NC(=O)c2cccc(C)c2[O-])c(OC)cc1Cl ZINC000121630435 337896791 /nfs/dbraw/zinc/89/67/91/337896791.db2.gz FHGISQJZZOFPDM-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)C(C)(C)c2ccccc2)n1 ZINC000537224584 337926283 /nfs/dbraw/zinc/92/62/83/337926283.db2.gz NAMDOLMMDNIPQC-INIZCTEOSA-N -1 3 313.445 3.591 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000424629126 337928142 /nfs/dbraw/zinc/92/81/42/337928142.db2.gz XIPHTHYVNVXQCE-BLLLJJGKSA-N -1 3 318.442 3.645 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CCCc3ccccc32)c1 ZINC000537644141 337955049 /nfs/dbraw/zinc/95/50/49/337955049.db2.gz KAEBUHQGPYRRIN-KRWDZBQOSA-N -1 3 311.381 3.550 20 0 DHADHM CC(C)c1nn(C)cc1NCc1cccc([O-])c1Br ZINC000314985141 337978465 /nfs/dbraw/zinc/97/84/65/337978465.db2.gz FWTZPQPZANWJAJ-UHFFFAOYSA-N -1 3 324.222 3.624 20 0 DHADHM C[C@]1(CNCc2cccc([O-])c2Br)CCCS1 ZINC000315398983 337986368 /nfs/dbraw/zinc/98/63/68/337986368.db2.gz QEGQSNYUJMAXQU-CYBMUJFWSA-N -1 3 316.264 3.530 20 0 DHADHM O=c1cc(CNc2ccc3c(c2)C(=O)CCCC3)nc(C2CC2)[n-]1 ZINC000516172938 338007095 /nfs/dbraw/zinc/00/70/95/338007095.db2.gz FACYSJUBVUTTOD-UHFFFAOYSA-N -1 3 323.396 3.581 20 0 DHADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])c(C)c3)no2)s1 ZINC000516239271 338009524 /nfs/dbraw/zinc/00/95/24/338009524.db2.gz JDTYLNCIGXUJHS-UHFFFAOYSA-N -1 3 300.339 3.682 20 0 DHADHM Cc1cccc(C[C@H](CNCc2ccccc2Cl)C(=O)[O-])c1 ZINC000426630969 338036593 /nfs/dbraw/zinc/03/65/93/338036593.db2.gz LYTNHISVNUNUGA-MRXNPFEDSA-N -1 3 317.816 3.682 20 0 DHADHM C[C@H](CCC(=O)[O-])CNCc1ccc(Oc2ccccc2)o1 ZINC000426654323 338037161 /nfs/dbraw/zinc/03/71/61/338037161.db2.gz KGFPKWDBWUJLCJ-CYBMUJFWSA-N -1 3 303.358 3.662 20 0 DHADHM O=C([O-])c1cccc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000426692888 338038374 /nfs/dbraw/zinc/03/83/74/338038374.db2.gz WBEDOUOWSWJGIN-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000426739439 338040097 /nfs/dbraw/zinc/04/00/97/338040097.db2.gz CGQAQFZYKUDYFV-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000426749567 338040609 /nfs/dbraw/zinc/04/06/09/338040609.db2.gz GUUQSGPLBSAGLQ-YJBOKZPZSA-N -1 3 315.369 3.805 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000426751192 338040611 /nfs/dbraw/zinc/04/06/11/338040611.db2.gz UBMXNBNTAOMNMY-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426753307 338040731 /nfs/dbraw/zinc/04/07/31/338040731.db2.gz HRMSFOQVFJARDA-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000426756346 338040963 /nfs/dbraw/zinc/04/09/63/338040963.db2.gz JKOIDBQFKDTINR-RDTXWAMCSA-N -1 3 313.397 3.555 20 0 DHADHM Cc1ccc2[nH]c(CN[C@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000426763978 338041330 /nfs/dbraw/zinc/04/13/30/338041330.db2.gz FVLCLYVMNUYORX-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM CCCCCc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000430886373 338118084 /nfs/dbraw/zinc/11/80/84/338118084.db2.gz ACTUBDMOTXIEHD-UHFFFAOYSA-N -1 3 314.385 3.786 20 0 DHADHM Cc1nc2cc(NC(=O)c3cc([O-])ccc3Cl)ccc2o1 ZINC000431525392 338133171 /nfs/dbraw/zinc/13/31/71/338133171.db2.gz UKEBTVLYRYHLJK-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncsc1C(F)(F)F ZINC000431736366 338137764 /nfs/dbraw/zinc/13/77/64/338137764.db2.gz NPBYBKHVVMLYHP-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])CC2 ZINC000431908404 338141627 /nfs/dbraw/zinc/14/16/27/338141627.db2.gz BEGRBDAMAMUSHW-ZDUSSCGKSA-N -1 3 317.772 3.723 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000432466560 338156941 /nfs/dbraw/zinc/15/69/41/338156941.db2.gz XXWYFAGVURGASV-SUMWQHHRSA-N -1 3 319.445 3.794 20 0 DHADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000433143312 338182963 /nfs/dbraw/zinc/18/29/63/338182963.db2.gz HFGBNBHNRCNHEL-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000433808569 338202634 /nfs/dbraw/zinc/20/26/34/338202634.db2.gz PYQYMGRATDIXTR-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM Cc1nc(C(C)(C)NC(=O)c2cc([O-])ccc2Cl)sc1C ZINC000435930054 338253036 /nfs/dbraw/zinc/25/30/36/338253036.db2.gz VQTYCKGBRSXPKB-UHFFFAOYSA-N -1 3 324.833 3.784 20 0 DHADHM CC(=O)Nc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435948547 338253949 /nfs/dbraw/zinc/25/39/49/338253949.db2.gz FCFBPWCUHNGNLW-BJMVGYQFSA-N -1 3 321.336 3.571 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(CSCc3ccco3)no2)c1 ZINC000435955810 338254138 /nfs/dbraw/zinc/25/41/38/338254138.db2.gz FLGIPYUIVOZBIJ-VOTSOKGWSA-N -1 3 314.366 3.972 20 0 DHADHM COc1ccccc1Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435957234 338254231 /nfs/dbraw/zinc/25/42/31/338254231.db2.gz IWWWAHYQFGOJQD-MDZDMXLPSA-N -1 3 308.337 3.545 20 0 DHADHM O=S(=O)(CCCCF)[N-]c1ccccc1-c1cccs1 ZINC000436478390 338273639 /nfs/dbraw/zinc/27/36/39/338273639.db2.gz MIROPYBYOFNMTR-UHFFFAOYSA-N -1 3 313.419 3.907 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c([O-])c1C ZINC000436488440 338273969 /nfs/dbraw/zinc/27/39/69/338273969.db2.gz VXEXJJHVPCOPBO-AWEZNQCLSA-N -1 3 313.372 3.778 20 0 DHADHM O=C1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436512425 338274665 /nfs/dbraw/zinc/27/46/65/338274665.db2.gz JUZJMXFLKOTOIY-OAHLLOKOSA-N -1 3 306.321 3.551 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)c([O-])c1C ZINC000436518033 338274748 /nfs/dbraw/zinc/27/47/48/338274748.db2.gz PWRSICRPHKWQLD-UHFFFAOYSA-N -1 3 314.366 3.978 20 0 DHADHM Cc1cccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000436528532 338275369 /nfs/dbraw/zinc/27/53/69/338275369.db2.gz HUZIESMOYMCEAH-QGZVFWFLSA-N -1 3 309.409 3.938 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3F)n2)cc1 ZINC000436532482 338275497 /nfs/dbraw/zinc/27/54/97/338275497.db2.gz JYLVPANHIPIGBG-UHFFFAOYSA-N -1 3 302.280 3.506 20 0 DHADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cnn1CCC(C)C ZINC000436532410 338275521 /nfs/dbraw/zinc/27/55/21/338275521.db2.gz JISNKMCIXBFEFS-UHFFFAOYSA-N -1 3 312.373 3.660 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)cc3F)no2)c1 ZINC000436532968 338275594 /nfs/dbraw/zinc/27/55/94/338275594.db2.gz KYTBGEAFTKSGFM-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)c([O-])c1 ZINC000436534301 338275680 /nfs/dbraw/zinc/27/56/80/338275680.db2.gz HKGIFSLUPVTJHU-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)c([O-])c1C ZINC000436534610 338275712 /nfs/dbraw/zinc/27/57/12/338275712.db2.gz LROHQQMKCAUFNX-WMLDXEAASA-N -1 3 319.445 3.580 20 0 DHADHM CC(C)N(Cc1ccco1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436538033 338275863 /nfs/dbraw/zinc/27/58/63/338275863.db2.gz IETOOLKRPZBVBF-UHFFFAOYSA-N -1 3 313.397 3.915 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(F)cc3F)no2)c([O-])c1 ZINC000436536931 338275929 /nfs/dbraw/zinc/27/59/29/338275929.db2.gz WKNJGPOOSSKOHT-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM CCOc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])c(C)c1 ZINC000436560827 338277066 /nfs/dbraw/zinc/27/70/66/338277066.db2.gz DAWOIYLYMHJJLS-UHFFFAOYSA-N -1 3 315.369 3.669 20 0 DHADHM CCOc1ccc(OC)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC000436563518 338277240 /nfs/dbraw/zinc/27/72/40/338277240.db2.gz DOEXPQPDILLSQP-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c([O-])c1C ZINC000436570151 338277656 /nfs/dbraw/zinc/27/76/56/338277656.db2.gz NFEDINIAZNUOAF-UHFFFAOYSA-N -1 3 319.351 3.917 20 0 DHADHM Cc1cnc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436572581 338277812 /nfs/dbraw/zinc/27/78/12/338277812.db2.gz DVPOUUPABGEYKX-LLVKDONJSA-N -1 3 304.415 3.772 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436574688 338277856 /nfs/dbraw/zinc/27/78/56/338277856.db2.gz LKQQGIBPRBLBCV-ZDUSSCGKSA-N -1 3 321.486 3.875 20 0 DHADHM CCc1noc(CC)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436575449 338277937 /nfs/dbraw/zinc/27/79/37/338277937.db2.gz MWUGLQKNIRTSAQ-UHFFFAOYSA-N -1 3 316.401 3.558 20 0 DHADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c([O-])c1C ZINC000436578789 338278173 /nfs/dbraw/zinc/27/81/73/338278173.db2.gz XOOFRWHUDGRZFY-KRWDZBQOSA-N -1 3 312.413 3.715 20 0 DHADHM COc1ccc(C(=O)N2CCC(CCC(C)C)CC2)c([O-])c1 ZINC000436580700 338278210 /nfs/dbraw/zinc/27/82/10/338278210.db2.gz CRJFNTUUCBTAQG-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM C[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436578739 338278212 /nfs/dbraw/zinc/27/82/12/338278212.db2.gz XIWPMMSDUCMORK-OAHLLOKOSA-N -1 3 309.409 3.802 20 0 DHADHM Cc1cccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c1[O-] ZINC000436583142 338278445 /nfs/dbraw/zinc/27/84/45/338278445.db2.gz JRUQVIMXAAOQEZ-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM CC(C)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436586514 338278579 /nfs/dbraw/zinc/27/85/79/338278579.db2.gz VXHBRTIPDHMNFN-UHFFFAOYSA-N -1 3 311.425 3.905 20 0 DHADHM CCCOc1cc(F)ccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436591898 338278867 /nfs/dbraw/zinc/27/88/67/338278867.db2.gz YNCSTVNVSWLDCM-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM CCc1ccnc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000436595731 338279085 /nfs/dbraw/zinc/27/90/85/338279085.db2.gz MSEUYCYLIAQIEI-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000436593353 338279129 /nfs/dbraw/zinc/27/91/29/338279129.db2.gz AUYMSGQFYXVJHB-GOSISDBHSA-N -1 3 311.425 3.676 20 0 DHADHM Cc1ccc(C(=O)NCc2nc(C(C)C)cs2)c([O-])c1C ZINC000436599424 338279250 /nfs/dbraw/zinc/27/92/50/338279250.db2.gz XUIQEYKVNZGKDT-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM Cc1ccc(C(=O)N(CCc2nccs2)C(C)C)c([O-])c1C ZINC000436605791 338279674 /nfs/dbraw/zinc/27/96/74/338279674.db2.gz QFRVNLUUVYZSNC-UHFFFAOYSA-N -1 3 318.442 3.559 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)ccn1 ZINC000436614026 338279914 /nfs/dbraw/zinc/27/99/14/338279914.db2.gz UJWBIGKAPIDAKI-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000436626965 338280410 /nfs/dbraw/zinc/28/04/10/338280410.db2.gz UBBOBKREMUWBGL-OCCSQVGLSA-N -1 3 321.298 3.697 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c([O-])c1C ZINC000436624982 338280504 /nfs/dbraw/zinc/28/05/04/338280504.db2.gz LDTCNTPNQPWUGO-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1cccc(Cl)c1 ZINC000436633460 338280810 /nfs/dbraw/zinc/28/08/10/338280810.db2.gz BMRSFXOEVVSKAC-CQSZACIVSA-N -1 3 319.788 3.935 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645057 338281129 /nfs/dbraw/zinc/28/11/29/338281129.db2.gz AJEQUXYFENPAPO-NSHDSACASA-N -1 3 311.337 3.643 20 0 DHADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cnc2ccccc12 ZINC000436642228 338281178 /nfs/dbraw/zinc/28/11/78/338281178.db2.gz ZVYDILHDERGZMK-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1cc2ccccc2s1 ZINC000436648636 338281307 /nfs/dbraw/zinc/28/13/07/338281307.db2.gz PFJNZIQSZIQVKH-JTQLQIEISA-N -1 3 313.378 3.804 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC000436667769 338282141 /nfs/dbraw/zinc/28/21/41/338282141.db2.gz VDIGUNRDKGVPSI-UHFFFAOYSA-N -1 3 321.380 3.954 20 0 DHADHM COc1nc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2s1 ZINC000436668683 338282161 /nfs/dbraw/zinc/28/21/61/338282161.db2.gz YYVAPQKHJHGGBM-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436674144 338282323 /nfs/dbraw/zinc/28/23/23/338282323.db2.gz NTZHAFAQPCAEMW-CQSZACIVSA-N -1 3 305.761 3.632 20 0 DHADHM CO[C@@H]1CCCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000436675585 338282399 /nfs/dbraw/zinc/28/23/99/338282399.db2.gz LJJMULBPLDKCEF-OAHLLOKOSA-N -1 3 319.445 3.890 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)c1cc(OC)ccc1[O-] ZINC000436689276 338283062 /nfs/dbraw/zinc/28/30/62/338283062.db2.gz NDPVGYQAUKQHLA-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CCc1cc(C(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)ccc1[O-] ZINC000436692682 338283156 /nfs/dbraw/zinc/28/31/56/338283156.db2.gz ZHIVONXJYFKYMP-AWEZNQCLSA-N -1 3 323.396 3.712 20 0 DHADHM COc1cnc2ccccc2c1C(=O)Nc1ccc(C)cc1[O-] ZINC000436707242 338283461 /nfs/dbraw/zinc/28/34/61/338283461.db2.gz XHDSMNOVDVGPBP-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1cc(-c2noc(-c3cc(F)cc(Cl)c3)n2)ccc1[O-] ZINC000436706556 338283497 /nfs/dbraw/zinc/28/34/97/338283497.db2.gz RXNMDJCADZHVCJ-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cnc3ccccc3c2)c1[O-] ZINC000436753343 338285557 /nfs/dbraw/zinc/28/55/57/338285557.db2.gz DUNIZMRIGTVHET-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CCCCCC1 ZINC000436756897 338285723 /nfs/dbraw/zinc/28/57/23/338285723.db2.gz RMBKGANMNPZIPU-UHFFFAOYSA-N -1 3 317.429 3.901 20 0 DHADHM COc1cccc(C(=O)NCc2cc3ccccc3s2)c1[O-] ZINC000436763836 338286294 /nfs/dbraw/zinc/28/62/94/338286294.db2.gz ICQVXBPWURSILG-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM [O-]c1ccc(-c2noc(-c3csc(-c4ccoc4)n3)n2)cc1 ZINC000436765943 338286463 /nfs/dbraw/zinc/28/64/63/338286463.db2.gz ALNUHYHFCVJUIP-UHFFFAOYSA-N -1 3 311.322 3.826 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)cc3F)n2)ccc1[O-] ZINC000436771386 338286852 /nfs/dbraw/zinc/28/68/52/338286852.db2.gz UUUVJADTJMJEKW-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(CC(C)C)CC(C)C)c1 ZINC000436788381 338287523 /nfs/dbraw/zinc/28/75/23/338287523.db2.gz YGWKSWKOWXQYGP-UHFFFAOYSA-N -1 3 320.433 3.541 20 0 DHADHM CC[C@@H](C)Oc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccn1 ZINC000436806994 338288216 /nfs/dbraw/zinc/28/82/16/338288216.db2.gz JMZKBYSQNHKEIR-LLVKDONJSA-N -1 3 311.341 3.682 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCS[C@H](C)CC2)c([O-])c1 ZINC000436817174 338288384 /nfs/dbraw/zinc/28/83/84/338288384.db2.gz WKQUDAQSLBZAFM-CYBMUJFWSA-N -1 3 323.458 3.539 20 0 DHADHM CSc1c(F)cc(NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000436826728 338288792 /nfs/dbraw/zinc/28/87/92/338288792.db2.gz LPPQDFYRZGSXKK-UHFFFAOYSA-N -1 3 309.337 3.953 20 0 DHADHM CCc1ccc(C(=O)NCc2ncoc2-c2ccccc2)c([O-])c1 ZINC000436830236 338289013 /nfs/dbraw/zinc/28/90/13/338289013.db2.gz NRSIDEWYRZHQIS-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM CCc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c([O-])c1 ZINC000436836696 338289327 /nfs/dbraw/zinc/28/93/27/338289327.db2.gz MUEUDXRFOGFWMO-UHFFFAOYSA-N -1 3 312.413 3.890 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c1[O-] ZINC000436840116 338289583 /nfs/dbraw/zinc/28/95/83/338289583.db2.gz WBMBNSLNLZNHFZ-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[O-] ZINC000436852725 338290011 /nfs/dbraw/zinc/29/00/11/338290011.db2.gz BENRRDZILKGGLK-LLVKDONJSA-N -1 3 323.348 3.832 20 0 DHADHM CCc1cc(C(=O)N[C@H](CC)c2ccc(OC)cc2)ccc1[O-] ZINC000436866049 338290493 /nfs/dbraw/zinc/29/04/93/338290493.db2.gz WDBHVSDZPSOTTQ-QGZVFWFLSA-N -1 3 313.397 3.844 20 0 DHADHM Cc1ccc(-c2nc(Cc3cccc4cccnc43)no2)c([O-])c1 ZINC000436889230 338291936 /nfs/dbraw/zinc/29/19/36/338291936.db2.gz QLJSTJCFLJMHSL-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM Cc1ccc(-c2nc(COc3ccc(F)cc3)no2)c([O-])c1C ZINC000436890958 338292135 /nfs/dbraw/zinc/29/21/35/338292135.db2.gz GUXRMQBKPKLMGL-UHFFFAOYSA-N -1 3 314.316 3.777 20 0 DHADHM [O-]c1c(-c2nc(COc3ccccc3)no2)ccc2c1CCCC2 ZINC000436895387 338292416 /nfs/dbraw/zinc/29/24/16/338292416.db2.gz ISEGMVNSZLYKOJ-UHFFFAOYSA-N -1 3 322.364 3.900 20 0 DHADHM COC(=O)c1nc(-c2ccccc2[O-])sc1-c1ccccc1 ZINC000436902325 338292619 /nfs/dbraw/zinc/29/26/19/338292619.db2.gz FNVKADOETNGXRE-UHFFFAOYSA-N -1 3 311.362 3.969 20 0 DHADHM Cc1ccc2cccc(-c3nc(-c4ccc([O-])cc4)no3)c2n1 ZINC000436900757 338292713 /nfs/dbraw/zinc/29/27/13/338292713.db2.gz JYRSCBLBLJPHME-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cc(C(=O)NCCOc2ccc(C(C)C)cc2)ccc1[O-] ZINC000436900289 338292755 /nfs/dbraw/zinc/29/27/55/338292755.db2.gz BNIWHWNBDXIQIT-UHFFFAOYSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)ccc1[O-] ZINC000436920327 338293526 /nfs/dbraw/zinc/29/35/26/338293526.db2.gz GSKAZQQZDYDPKF-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM COc1cccc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)c1[O-] ZINC000436925508 338293746 /nfs/dbraw/zinc/29/37/46/338293746.db2.gz GNUGOQIIMSCJPD-SNVBAGLBSA-N -1 3 323.801 3.533 20 0 DHADHM CCc1cccc2c(CCNC(=O)c3ccc([O-])c(C)c3)c[nH]c21 ZINC000436930758 338294124 /nfs/dbraw/zinc/29/41/24/338294124.db2.gz YHWWRNVMEGKVDL-UHFFFAOYSA-N -1 3 322.408 3.717 20 0 DHADHM CCN(CC)c1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cn1 ZINC000436936892 338294483 /nfs/dbraw/zinc/29/44/83/338294483.db2.gz ZVJVAUDZVVGMLU-UHFFFAOYSA-N -1 3 324.384 3.659 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)ccc1[O-] ZINC000436939378 338294570 /nfs/dbraw/zinc/29/45/70/338294570.db2.gz NOHGETYZJZLVDX-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CC(C)[C@H](C)N(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000436950331 338295365 /nfs/dbraw/zinc/29/53/65/338295365.db2.gz CACDIIKYECLSIA-ZDUSSCGKSA-N -1 3 301.430 3.920 20 0 DHADHM CO[C@@H](c1noc(-c2ccc(C)cc2[O-])n1)c1ccc(F)cc1 ZINC000436951926 338295543 /nfs/dbraw/zinc/29/55/43/338295543.db2.gz HFOJVZLPRXKGNO-OAHLLOKOSA-N -1 3 314.316 3.626 20 0 DHADHM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000436954952 338295722 /nfs/dbraw/zinc/29/57/22/338295722.db2.gz JCUMKADBQQPLCY-CQSZACIVSA-N -1 3 323.314 3.858 20 0 DHADHM Cc1csc([C@@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436965398 338296030 /nfs/dbraw/zinc/29/60/30/338296030.db2.gz UDTJLDAOUARVEV-LLVKDONJSA-N -1 3 316.426 3.527 20 0 DHADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc2O1 ZINC000436966954 338296219 /nfs/dbraw/zinc/29/62/19/338296219.db2.gz RREDXQUNELVDCG-CYBMUJFWSA-N -1 3 323.392 3.699 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1C ZINC000436979429 338296602 /nfs/dbraw/zinc/29/66/02/338296602.db2.gz JWLMOLZDBWIECA-PXAZEXFGSA-N -1 3 310.397 3.627 20 0 DHADHM CCCCOc1ccc(C(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000436989221 338296994 /nfs/dbraw/zinc/29/69/94/338296994.db2.gz ZKPAXHKNIDMDGZ-UHFFFAOYSA-N -1 3 311.381 3.727 20 0 DHADHM CCC[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436990995 338297041 /nfs/dbraw/zinc/29/70/41/338297041.db2.gz RZESZKMOFAOGLZ-CQSZACIVSA-N -1 3 317.429 3.901 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC3(C2)CCCC3)c([O-])c1 ZINC000436995997 338297171 /nfs/dbraw/zinc/29/71/71/338297171.db2.gz RVAWWGKHYZBHLR-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM Cn1nc2ccccc2c1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000436994105 338297189 /nfs/dbraw/zinc/29/71/89/338297189.db2.gz ASSXVVMXZHUKEX-UHFFFAOYSA-N -1 3 323.396 3.829 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000437653491 338317403 /nfs/dbraw/zinc/31/74/03/338317403.db2.gz JYTPGYHONVPUFV-UHFFFAOYSA-N -1 3 301.820 3.765 20 0 DHADHM COc1cc(-c2noc(-c3cccc4cc[nH]c43)n2)ccc1[O-] ZINC000438741515 338351466 /nfs/dbraw/zinc/35/14/66/338351466.db2.gz RSYRVTSHSQQBMR-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM COCc1ccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)o1 ZINC000438835153 338353227 /nfs/dbraw/zinc/35/32/27/338353227.db2.gz KOBYTVJWGMQFMO-CQSZACIVSA-N -1 3 323.339 3.747 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880543 338354676 /nfs/dbraw/zinc/35/46/76/338354676.db2.gz ISLSABJWBGKNBN-NWDGAFQWSA-N -1 3 323.179 3.836 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(C2CC2)no1 ZINC000442633642 338426317 /nfs/dbraw/zinc/42/63/17/338426317.db2.gz DMRKFIFZEDPYMC-UHFFFAOYSA-N -1 3 312.247 3.529 20 0 DHADHM COc1cc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)ccc1[O-] ZINC000442851795 338434663 /nfs/dbraw/zinc/43/46/63/338434663.db2.gz GQKASEXPTWWXCJ-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM COc1cc(C(=O)N(Cc2ccccc2C)C2CC2)ccc1[O-] ZINC000442862120 338435786 /nfs/dbraw/zinc/43/57/86/338435786.db2.gz FDEPLHSFNQHXGE-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCC[C@]1(COC)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000446702201 338532938 /nfs/dbraw/zinc/53/29/38/338532938.db2.gz QCUZVZIHSNRFKZ-LJQANCHMSA-N -1 3 319.445 3.937 20 0 DHADHM Cc1ccc([C@]2(C)CCN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000447688501 338563598 /nfs/dbraw/zinc/56/35/98/338563598.db2.gz HNBBXSGZIPYDHN-HXUWFJFHSA-N -1 3 309.409 3.813 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C(C)C)c3ccccc32)o1 ZINC000447932918 338571837 /nfs/dbraw/zinc/57/18/37/338571837.db2.gz RQQWEMWWOFULBZ-HZPDHXFCSA-N -1 3 319.426 3.751 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448789600 338575025 /nfs/dbraw/zinc/57/50/25/338575025.db2.gz BZYSOIOJWOZTBX-GFCCVEGCSA-N -1 3 317.360 3.890 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000450966536 338714804 /nfs/dbraw/zinc/71/48/04/338714804.db2.gz JWHUKNLKIAJNLQ-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1[O-] ZINC000194809997 338760186 /nfs/dbraw/zinc/76/01/86/338760186.db2.gz CZMCMNYDTIOOFS-LLVKDONJSA-N -1 3 312.394 3.835 20 0 DHADHM CCc1cc(C(=O)NC2CCC(CSC)CC2)ccc1[O-] ZINC000452945414 338784512 /nfs/dbraw/zinc/78/45/12/338784512.db2.gz BYPCQXKQHSXGIU-UHFFFAOYSA-N -1 3 307.459 3.606 20 0 DHADHM Cc1nc(S(=O)(=O)[C@H](C)c2ccc(C(C)(C)C)cc2)[n-]c1C ZINC000453025826 338786696 /nfs/dbraw/zinc/78/66/96/338786696.db2.gz LNXXQCKFYSQNSV-CYBMUJFWSA-N -1 3 320.458 3.859 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000456103923 338919485 /nfs/dbraw/zinc/91/94/85/338919485.db2.gz BIRXENPVSRPUGE-PWSUYJOCSA-N -1 3 315.335 3.758 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1[nH]ccc1C1CC1 ZINC000457659130 338973976 /nfs/dbraw/zinc/97/39/76/338973976.db2.gz LQJPVWVKAJICSO-UHFFFAOYSA-N -1 3 310.275 3.869 20 0 DHADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000458134403 338989532 /nfs/dbraw/zinc/98/95/32/338989532.db2.gz POFJNKZJAVQBDI-OCCSQVGLSA-N -1 3 301.308 3.575 20 0 DHADHM O=c1cc(CN[C@H](c2ccccc2)C2CCC2)nc(C2CC2)[n-]1 ZINC000459372357 339025442 /nfs/dbraw/zinc/02/54/42/339025442.db2.gz QTSOSZPRTQUDJM-GOSISDBHSA-N -1 3 309.413 3.691 20 0 DHADHM C[C@@H](c1ccncc1)N(C)Cc1cccc([O-])c1Br ZINC000459480095 339031685 /nfs/dbraw/zinc/03/16/85/339031685.db2.gz LHGXFTIXSUMOQR-NSHDSACASA-N -1 3 321.218 3.743 20 0 DHADHM [O-]c1cccc(CN2CCCC[C@H]2C(F)F)c1Br ZINC000459525951 339034097 /nfs/dbraw/zinc/03/40/97/339034097.db2.gz ITNSLZYFJJDRAB-JTQLQIEISA-N -1 3 320.177 3.774 20 0 DHADHM CCOc1cc(CNc2cccc(CCO)c2)cc(Cl)c1[O-] ZINC000459559393 339035717 /nfs/dbraw/zinc/03/57/17/339035717.db2.gz HYIGLESKBRYDOC-UHFFFAOYSA-N -1 3 321.804 3.591 20 0 DHADHM [O-]c1cccc(CNc2cc3c(cn2)CCC3)c1Br ZINC000459597195 339037953 /nfs/dbraw/zinc/03/79/53/339037953.db2.gz VPPGOBKFXLFBPY-UHFFFAOYSA-N -1 3 319.202 3.651 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)n1 ZINC000459672683 339042160 /nfs/dbraw/zinc/04/21/60/339042160.db2.gz ZFCJHRNZPUCOPM-ZWNOBZJWSA-N -1 3 306.768 3.534 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000462318212 339075733 /nfs/dbraw/zinc/07/57/33/339075733.db2.gz ZYRDEBRAKUNFBB-JTQLQIEISA-N -1 3 319.829 3.726 20 0 DHADHM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000467080913 339225854 /nfs/dbraw/zinc/22/58/54/339225854.db2.gz IUOSWQWVOUVBTH-UHFFFAOYSA-N -1 3 319.426 3.912 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000468273201 339258356 /nfs/dbraw/zinc/25/83/56/339258356.db2.gz TXSVYKDKVOXHAQ-QGZVFWFLSA-N -1 3 311.429 3.699 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000468277148 339258754 /nfs/dbraw/zinc/25/87/54/339258754.db2.gz MDFBHZGUBMOTNU-QGZVFWFLSA-N -1 3 319.836 3.885 20 0 DHADHM C[C@@H]1CCC[C@H](N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468317478 339259668 /nfs/dbraw/zinc/25/96/68/339259668.db2.gz OVFFWIIESODHKD-HIFRSBDPSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468394225 339261736 /nfs/dbraw/zinc/26/17/36/339261736.db2.gz YKBPEANNRUPBQX-XJKSGUPXSA-N -1 3 307.409 3.891 20 0 DHADHM COc1cc(F)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468400683 339261868 /nfs/dbraw/zinc/26/18/68/339261868.db2.gz YJFFWCMIIXCBKR-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1ccc(F)c(Cl)c1 ZINC000468484819 339264012 /nfs/dbraw/zinc/26/40/12/339264012.db2.gz UNGSTMCMSJJUCV-UHFFFAOYSA-N -1 3 315.801 3.869 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCc2ccccc21 ZINC000468528013 339265535 /nfs/dbraw/zinc/26/55/35/339265535.db2.gz BNCSNJCLRLKMQT-QGZVFWFLSA-N -1 3 313.372 3.658 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000468562914 339266618 /nfs/dbraw/zinc/26/66/18/339266618.db2.gz BUNXCKQIOHNTGB-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000469064553 339279123 /nfs/dbraw/zinc/27/91/23/339279123.db2.gz VLKZYSXOYXXTEL-UHFFFAOYSA-N -1 3 317.410 3.509 20 0 DHADHM C[C@H]1CC[C@@]2(CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)C1 ZINC000469797514 339300778 /nfs/dbraw/zinc/30/07/78/339300778.db2.gz CLNMLILMKSSAJB-IFXJQAMLSA-N -1 3 319.420 3.893 20 0 DHADHM COc1ccc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1OC ZINC000470256646 339315333 /nfs/dbraw/zinc/31/53/33/339315333.db2.gz WZETUEZCTHLTOS-VURMDHGXSA-N -1 3 314.385 3.667 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000470787089 339328179 /nfs/dbraw/zinc/32/81/79/339328179.db2.gz HRZSCKCDWPMBKG-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CN(CCOc1ccccc1Cl)Cc1cc([O-])cc(F)c1 ZINC000473132522 339381873 /nfs/dbraw/zinc/38/18/73/339381873.db2.gz LYWKGTCGFXQEHW-UHFFFAOYSA-N -1 3 309.768 3.696 20 0 DHADHM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000476454988 339476689 /nfs/dbraw/zinc/47/66/89/339476689.db2.gz XACDSDWBRJTFMW-YPMHNXCESA-N -1 3 311.809 3.888 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1 ZINC000485023852 339697656 /nfs/dbraw/zinc/69/76/56/339697656.db2.gz KCXOUGTUCCPIJA-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCc1cc(C(=O)NCCSc2ccc(C)cc2)ccc1[O-] ZINC000485554172 339705548 /nfs/dbraw/zinc/70/55/48/339705548.db2.gz ZEVAGGYSZRXLAT-UHFFFAOYSA-N -1 3 315.438 3.785 20 0 DHADHM CCc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1[O-] ZINC000485754611 339712205 /nfs/dbraw/zinc/71/22/05/339712205.db2.gz GVIIWEMRMXWZPP-UHFFFAOYSA-N -1 3 313.397 3.672 20 0 DHADHM O=c1cc(C=Cc2ccc(OCC(F)F)cc2)nc(C2CC2)[n-]1 ZINC000486100176 339721120 /nfs/dbraw/zinc/72/11/20/339721120.db2.gz ACYOVRARWPMJCV-LZCJLJQNSA-N -1 3 318.323 3.874 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)ccc1[O-] ZINC000486791549 339734305 /nfs/dbraw/zinc/73/43/05/339734305.db2.gz QKPOANAYWASDTF-RDTXWAMCSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1cc(C(=O)NCC2(c3ccncc3)CCCC2)ccc1[O-] ZINC000486891516 339737333 /nfs/dbraw/zinc/73/73/33/339737333.db2.gz CKXVXVSSVPFBFR-UHFFFAOYSA-N -1 3 324.424 3.591 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2cc(C)ccc2F)ccc1[O-] ZINC000487513055 339755375 /nfs/dbraw/zinc/75/53/75/339755375.db2.gz HQKKUDFKYXMZSU-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)ccc1[O-] ZINC000498528476 339768854 /nfs/dbraw/zinc/76/88/54/339768854.db2.gz JHALOHRYBBCMFS-FUHWJXTLSA-N -1 3 309.409 3.842 20 0 DHADHM Cc1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccc1[O-] ZINC000498529570 339769254 /nfs/dbraw/zinc/76/92/54/339769254.db2.gz NVOZKRMFROVQPC-UHFFFAOYSA-N -1 3 313.372 3.892 20 0 DHADHM COc1cc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)ccc1[O-] ZINC000491583543 339867903 /nfs/dbraw/zinc/86/79/03/339867903.db2.gz KSNYHKVUOHOFMG-OAHLLOKOSA-N -1 3 317.410 3.686 20 0 DHADHM O=C(C=Cc1cccc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492671771 339906591 /nfs/dbraw/zinc/90/65/91/339906591.db2.gz NMLFRWAHNMSRNG-JKEYDSJLSA-N -1 3 319.360 3.512 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)ccc1[O-] ZINC000493006819 339914843 /nfs/dbraw/zinc/91/48/43/339914843.db2.gz WJANXKXJVXBZBS-JSGCOSHPSA-N -1 3 305.418 3.688 20 0 DHADHM COc1ccccc1/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC000493028854 339915397 /nfs/dbraw/zinc/91/53/97/339915397.db2.gz VEIMRROCFSSBFH-MDZDMXLPSA-N -1 3 303.745 3.706 20 0 DHADHM Cc1cc(C(=O)NCCc2cccc(Cl)c2Cl)ccc1[O-] ZINC000499697346 340042841 /nfs/dbraw/zinc/04/28/41/340042841.db2.gz JETBTOKMFVTUIX-UHFFFAOYSA-N -1 3 324.207 3.980 20 0 DHADHM Cc1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)ccc1[O-] ZINC000499836175 340045526 /nfs/dbraw/zinc/04/55/26/340045526.db2.gz TXWCEGDKSVUCJW-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000500102966 340050289 /nfs/dbraw/zinc/05/02/89/340050289.db2.gz PZQANAWOGKDTDT-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCCC[C@@H]12 ZINC000516585832 340095682 /nfs/dbraw/zinc/09/56/82/340095682.db2.gz DBKXJNRAPAPZOK-QWQRMKEZSA-N -1 3 324.424 3.569 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000502665672 340109805 /nfs/dbraw/zinc/10/98/05/340109805.db2.gz JWDXIXLMAUNVRQ-AWEZNQCLSA-N -1 3 313.397 3.917 20 0 DHADHM Cc1oc2ncnc([N-]c3nc4c(s3)CCCC4)c2c1C ZINC000502739873 340112791 /nfs/dbraw/zinc/11/27/91/340112791.db2.gz KIKMLTAKJGTLMI-UHFFFAOYSA-N -1 3 300.387 3.919 20 0 DHADHM CSCC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000503707702 340133884 /nfs/dbraw/zinc/13/38/84/340133884.db2.gz COXFPERBHCUXDF-UHFFFAOYSA-N -1 3 307.337 3.739 20 0 DHADHM Cc1cc(NC(=O)c2cc(F)cc3[n-]nnc32)cc(C)c1Cl ZINC000505211745 340164013 /nfs/dbraw/zinc/16/40/13/340164013.db2.gz UKVZCGUUMQOFAU-UHFFFAOYSA-N -1 3 318.739 3.620 20 0 DHADHM Cc1cc(NC(=O)c2cc(F)cc3nn[n-]c32)cc(C)c1Cl ZINC000505211745 340164014 /nfs/dbraw/zinc/16/40/14/340164014.db2.gz UKVZCGUUMQOFAU-UHFFFAOYSA-N -1 3 318.739 3.620 20 0 DHADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc(C)c1Cl ZINC000505211745 340164015 /nfs/dbraw/zinc/16/40/15/340164015.db2.gz UKVZCGUUMQOFAU-UHFFFAOYSA-N -1 3 318.739 3.620 20 0 DHADHM O=C(NCC(F)(F)c1ccccc1)c1cc([O-])ccc1Cl ZINC000505827035 340179076 /nfs/dbraw/zinc/17/90/76/340179076.db2.gz PKYBUTIGSUBQAF-UHFFFAOYSA-N -1 3 311.715 3.567 20 0 DHADHM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1ccccc1F ZINC000506199435 340188324 /nfs/dbraw/zinc/18/83/24/340188324.db2.gz PJQISSDTMFXPBS-UHFFFAOYSA-N -1 3 319.401 3.574 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cccc3[nH]cnc32)c([O-])c1 ZINC000506237588 340189763 /nfs/dbraw/zinc/18/97/63/340189763.db2.gz FLZYWSVLJJQYPS-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM CC(C)c1ccsc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000507246190 340215564 /nfs/dbraw/zinc/21/55/64/340215564.db2.gz HQNRBEATGPCUAO-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1ccsc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000507246190 340215565 /nfs/dbraw/zinc/21/55/65/340215565.db2.gz HQNRBEATGPCUAO-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1ccsc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000507246190 340215566 /nfs/dbraw/zinc/21/55/66/340215566.db2.gz HQNRBEATGPCUAO-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)s1 ZINC000508081519 340238943 /nfs/dbraw/zinc/23/89/43/340238943.db2.gz CZSBFPHYRRWLTN-UHFFFAOYSA-N -1 3 323.430 3.557 20 0 DHADHM Cc1ccc(NC(=O)c2cc(N(C)C)nc3ccccc32)c([O-])c1 ZINC000508883300 340255007 /nfs/dbraw/zinc/25/50/07/340255007.db2.gz VIMWMDDKKWWNNC-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC1(c2ccc(F)cc2)CC1 ZINC000509027422 340258683 /nfs/dbraw/zinc/25/86/83/340258683.db2.gz APGUMDCOUBLUOK-UHFFFAOYSA-N -1 3 319.763 3.533 20 0 DHADHM CCOC(=O)[C@H](CC)SCc1ccc([O-])c2nc(C)ccc12 ZINC000509064823 340260053 /nfs/dbraw/zinc/26/00/53/340260053.db2.gz JXNIXZVBVLVKMT-HNNXBMFYSA-N -1 3 319.426 3.824 20 0 DHADHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc([O-])c1 ZINC000509069763 340260211 /nfs/dbraw/zinc/26/02/11/340260211.db2.gz PTJHJMMGKDZCNH-UHFFFAOYSA-N -1 3 305.337 3.783 20 0 DHADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cccc([O-])c1 ZINC000509321923 340266202 /nfs/dbraw/zinc/26/62/02/340266202.db2.gz KKYSPNQESFLZNJ-UHFFFAOYSA-N -1 3 315.800 3.897 20 0 DHADHM COc1cccc(C(=O)NCCc2ccc3ccccc3c2)c1[O-] ZINC000302931897 340287864 /nfs/dbraw/zinc/28/78/64/340287864.db2.gz GZDHZLFJQXQOIT-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000510345253 340296534 /nfs/dbraw/zinc/29/65/34/340296534.db2.gz ZKVOOUMOALQERS-UHFFFAOYSA-N -1 3 308.397 3.547 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000303201502 340312294 /nfs/dbraw/zinc/31/22/94/340312294.db2.gz OIBPFYOAUUTAIZ-UHFFFAOYSA-N -1 3 319.401 3.814 20 0 DHADHM COc1ccc(C(C)(C)CNCc2c(F)ccc([O-])c2F)cc1 ZINC000510887609 340313941 /nfs/dbraw/zinc/31/39/41/340313941.db2.gz LLFYKJGSUYYRGN-UHFFFAOYSA-N -1 3 321.367 3.746 20 0 DHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000511092768 340320378 /nfs/dbraw/zinc/32/03/78/340320378.db2.gz UYKMZINWIABKJE-MEDUHNTESA-N -1 3 313.388 3.601 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000511652536 340334045 /nfs/dbraw/zinc/33/40/45/340334045.db2.gz FDLKFMMQUDIFTD-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000511696862 340335479 /nfs/dbraw/zinc/33/54/79/340335479.db2.gz ZSYARDUGHZWSDS-LBPRGKRZSA-N -1 3 323.389 3.804 20 0 DHADHM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(C)c1[O-] ZINC000303604765 340337058 /nfs/dbraw/zinc/33/70/58/340337058.db2.gz QKQUYBQACYZTHR-UHFFFAOYSA-N -1 3 315.388 3.935 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccccc2SC)n1 ZINC000511951858 340343596 /nfs/dbraw/zinc/34/35/96/340343596.db2.gz VWNXDLDNVIBJAO-UHFFFAOYSA-N -1 3 306.456 3.900 20 0 DHADHM CCC(CC)[C@@H]1C[C@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000512230453 340353277 /nfs/dbraw/zinc/35/32/77/340353277.db2.gz UELOWQFALZKFMG-WBMJQRKESA-N -1 3 313.388 3.744 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc(F)ccc1F ZINC000173071103 340357486 /nfs/dbraw/zinc/35/74/86/340357486.db2.gz COHZAEHLNKOLKG-UHFFFAOYSA-N -1 3 300.264 3.872 20 0 DHADHM Cc1cccc([C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)c1 ZINC000512403847 340360745 /nfs/dbraw/zinc/36/07/45/340360745.db2.gz OQYLSNKVUZVMOV-CQSZACIVSA-N -1 3 303.352 3.968 20 0 DHADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCCc2ccc(F)cc21 ZINC000512734909 340375075 /nfs/dbraw/zinc/37/50/75/340375075.db2.gz VEIRYGWYTULIOK-CYBMUJFWSA-N -1 3 307.394 3.703 20 0 DHADHM CC1(C)CN(Cc2cccc([O-])c2Cl)CC2(CCCC2)O1 ZINC000513058174 340391226 /nfs/dbraw/zinc/39/12/26/340391226.db2.gz QCBFJBCTSVDNAB-UHFFFAOYSA-N -1 3 309.837 3.969 20 0 DHADHM CC(C)(C)OC1CC(CCNCc2c(F)ccc([O-])c2F)C1 ZINC000513247955 340399250 /nfs/dbraw/zinc/39/92/50/340399250.db2.gz ZQYMYUKXJFJYNQ-UHFFFAOYSA-N -1 3 313.388 3.744 20 0 DHADHM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183246812 340487012 /nfs/dbraw/zinc/48/70/12/340487012.db2.gz OIFBEMZCEXXWMP-FNORWQNLSA-N -1 3 320.389 3.937 20 0 DHADHM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000521843301 340536104 /nfs/dbraw/zinc/53/61/04/340536104.db2.gz DRJXPMQIPOJDCR-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000229350451 340612938 /nfs/dbraw/zinc/61/29/38/340612938.db2.gz XCXIJJOARHKJCQ-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM Cc1cccc(OCC(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000523941972 340644578 /nfs/dbraw/zinc/64/45/78/340644578.db2.gz LFUYGYLTCZQFHL-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000234948871 340655368 /nfs/dbraw/zinc/65/53/68/340655368.db2.gz MXDTUNFMARKBKH-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])[C@H]1C1CC1 ZINC000529127611 340745419 /nfs/dbraw/zinc/74/54/19/340745419.db2.gz GCQXRPMSSAQNLA-HAGUPOPPSA-N -1 3 315.291 3.521 20 0 DHADHM COc1ccc(CN(C(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC000126683583 340830673 /nfs/dbraw/zinc/83/06/73/340830673.db2.gz JAGPTUSEXVRUSL-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)ccc2Cl)c1 ZINC000539843536 340905549 /nfs/dbraw/zinc/90/55/49/340905549.db2.gz CYSFHYWNVFPJNH-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000539878035 340907988 /nfs/dbraw/zinc/90/79/88/340907988.db2.gz VRNXWKPAXLJLIA-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM Cc1cc(C(=O)CCC(=O)Nc2cccc([O-])c2F)c(C)s1 ZINC000128723574 340910258 /nfs/dbraw/zinc/91/02/58/340910258.db2.gz KSTQWJVFQGGNFR-UHFFFAOYSA-N -1 3 321.373 3.811 20 0 DHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000542328060 341005376 /nfs/dbraw/zinc/00/53/76/341005376.db2.gz DBRNQIKFQQUKDM-JTQLQIEISA-N -1 3 320.186 3.897 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)ccc1[O-] ZINC000542785655 341020630 /nfs/dbraw/zinc/02/06/30/341020630.db2.gz ANVGQQOKNTXKGZ-AWEZNQCLSA-N -1 3 309.287 3.734 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1ccnc(Oc2ccccc2)c1 ZINC000543954297 341064054 /nfs/dbraw/zinc/06/40/54/341064054.db2.gz MDSYMYGGQGAIIV-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1cncc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000545021202 341104540 /nfs/dbraw/zinc/10/45/40/341104540.db2.gz VVDSEQMGKDJJPI-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cccs2)n1 ZINC000131718187 341109718 /nfs/dbraw/zinc/10/97/18/341109718.db2.gz MUMGMYQSJWNJJS-UHFFFAOYSA-N -1 3 307.425 3.889 20 0 DHADHM COc1ccccc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000131877414 341113009 /nfs/dbraw/zinc/11/30/09/341113009.db2.gz MPFSIHCGQYJFIK-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM C[C@H]1CCN(C(=O)c2cnc(C3CC3)s2)c2c([O-])cccc21 ZINC000545246024 341117119 /nfs/dbraw/zinc/11/71/19/341117119.db2.gz RHZAEDNJQFKDDM-JTQLQIEISA-N -1 3 314.410 3.880 20 0 DHADHM Cc1ccc([O-])c(-c2nc([C@H]3CCN(C)c4ccccc43)no2)c1 ZINC000545647390 341134729 /nfs/dbraw/zinc/13/47/29/341134729.db2.gz OPRVBXUQJQASRF-AWEZNQCLSA-N -1 3 321.380 3.722 20 0 DHADHM CCc1ncc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000545954334 341148370 /nfs/dbraw/zinc/14/83/70/341148370.db2.gz OAFQPBFQPQKKAU-JTQLQIEISA-N -1 3 302.399 3.565 20 0 DHADHM Cc1ccsc1CCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133604707 341179904 /nfs/dbraw/zinc/17/99/04/341179904.db2.gz XGGQAKFHVVTTOQ-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3C)[n-]2)o1 ZINC000133645183 341180814 /nfs/dbraw/zinc/18/08/14/341180814.db2.gz NYPRDNFUGFIFES-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Cl)cc3C)n2)o1 ZINC000133645183 341180815 /nfs/dbraw/zinc/18/08/15/341180815.db2.gz NYPRDNFUGFIFES-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3C)n[n-]2)o1 ZINC000133645183 341180816 /nfs/dbraw/zinc/18/08/16/341180816.db2.gz NYPRDNFUGFIFES-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM CC(C)(NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000547719744 341228663 /nfs/dbraw/zinc/22/86/63/341228663.db2.gz BYSAXRLQGZRBEJ-UHFFFAOYSA-N -1 3 323.392 3.542 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000136123213 341253048 /nfs/dbraw/zinc/25/30/48/341253048.db2.gz ZNJQLBCCJIDUKF-NXEZZACHSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1ccc([O-])c(CNC2(c3ccc(F)cc3F)CCC2)n1 ZINC000136131605 341253434 /nfs/dbraw/zinc/25/34/34/341253434.db2.gz VSZMTLNUCTZWMB-UHFFFAOYSA-N -1 3 304.340 3.543 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000548279943 341254096 /nfs/dbraw/zinc/25/40/96/341254096.db2.gz XTACTOKQIRGWCO-GFCCVEGCSA-N -1 3 323.380 3.504 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c1[O-] ZINC000079253987 341255868 /nfs/dbraw/zinc/25/58/68/341255868.db2.gz BNCFVFGAQWYBKT-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000079268914 341256113 /nfs/dbraw/zinc/25/61/13/341256113.db2.gz KUXGVMCBNRADEW-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM Cc1ccc(CCCC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000080029621 341268792 /nfs/dbraw/zinc/26/87/92/341268792.db2.gz CXLNBJGACUGBRZ-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000081458604 341291587 /nfs/dbraw/zinc/29/15/87/341291587.db2.gz BIIJWMQDAAUYOC-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM CSC[C@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459885 341291699 /nfs/dbraw/zinc/29/16/99/341291699.db2.gz OGVVSZCWDWKXMM-ZDUSSCGKSA-N -1 3 315.438 3.921 20 0 DHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc(F)c1F ZINC000550111192 341310160 /nfs/dbraw/zinc/31/01/60/341310160.db2.gz DGVTVGCOTPOVEZ-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000550223333 341312887 /nfs/dbraw/zinc/31/28/87/341312887.db2.gz ALTHYVCMOHHLPR-CYBMUJFWSA-N -1 3 303.789 3.797 20 0 DHADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1cc(F)ccc1[O-] ZINC000552134943 341372315 /nfs/dbraw/zinc/37/23/15/341372315.db2.gz NDTDDILWRVIKCB-GFCCVEGCSA-N -1 3 312.344 3.761 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1[O-] ZINC000552287118 341384359 /nfs/dbraw/zinc/38/43/59/341384359.db2.gz ITOVSBSNODKQLD-UHFFFAOYSA-N -1 3 308.337 3.637 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000552286498 341384364 /nfs/dbraw/zinc/38/43/64/341384364.db2.gz RFUFRZAYGZSWLD-SECBINFHSA-N -1 3 319.307 3.615 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2C)c1[O-] ZINC000552287313 341384446 /nfs/dbraw/zinc/38/44/46/341384446.db2.gz OINMIXHKLVBSGB-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CCc1cc(NC(=O)c2n[n-]nc2-c2ccccc2)ccc1C ZINC000554862945 341467128 /nfs/dbraw/zinc/46/71/28/341467128.db2.gz DEHCUQVOTNYKQM-UHFFFAOYSA-N -1 3 306.369 3.595 20 0 DHADHM CSCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000153236245 341531465 /nfs/dbraw/zinc/53/14/65/341531465.db2.gz WFBFLEQRVMKXPG-UHFFFAOYSA-N -1 3 317.410 3.620 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccccc2F)CC1 ZINC000153437095 341540198 /nfs/dbraw/zinc/54/01/98/341540198.db2.gz RLSILYBLGGCGGZ-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2ccnc3ccccc23)C(=O)[O-])c1 ZINC000565869116 341540814 /nfs/dbraw/zinc/54/08/14/341540814.db2.gz CARBREVLOILPEV-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM CC(C)C(=C([O-])c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000566678110 341564870 /nfs/dbraw/zinc/56/48/70/341564870.db2.gz QNJRKFXFUBLCDS-SFHVURJKSA-N -1 3 316.422 3.509 20 0 DHADHM CC(C)(C)c1coc([N-]C(=O)c2ccc(Br)o2)n1 ZINC000572613417 341697891 /nfs/dbraw/zinc/69/78/91/341697891.db2.gz BDNUZPYTPOGNQF-UHFFFAOYSA-N -1 3 313.151 3.580 20 0 DHADHM CSCc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000573180599 341720006 /nfs/dbraw/zinc/72/00/06/341720006.db2.gz CURVBIOSYGZOGD-UHFFFAOYSA-N -1 3 323.381 3.538 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCc3c(C)cc(C)cc32)c1 ZINC000171287891 341775341 /nfs/dbraw/zinc/77/53/41/341775341.db2.gz LEPUDGGFKLHXIK-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000174886985 341832836 /nfs/dbraw/zinc/83/28/36/341832836.db2.gz BEWMUBVJDLFPIW-MNOVXSKESA-N -1 3 307.271 3.552 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1[O-] ZINC000576690013 341858590 /nfs/dbraw/zinc/85/85/90/341858590.db2.gz JJEYMFFCYKENGG-UHFFFAOYSA-N -1 3 322.364 3.647 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000192725646 341886649 /nfs/dbraw/zinc/88/66/49/341886649.db2.gz MZGCGVIABGZEEZ-QWRGUYRKSA-N -1 3 323.343 3.504 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000178326039 341951671 /nfs/dbraw/zinc/95/16/71/341951671.db2.gz WJKCYILNYQOZPB-VHSXEESVSA-N -1 3 307.271 3.552 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000178326002 341951711 /nfs/dbraw/zinc/95/17/11/341951711.db2.gz WJKCYILNYQOZPB-ZJUUUORDSA-N -1 3 307.271 3.552 20 0 DHADHM CC(C)N(Cc1cccs1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000265744996 519661036 /nfs/dbraw/zinc/66/10/36/519661036.db2.gz DZYHGACTIANPBK-UHFFFAOYSA-N -1 3 322.405 3.713 20 0 DHADHM CC(C)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000265341443 519802190 /nfs/dbraw/zinc/80/21/90/519802190.db2.gz VCFSIGLQZMIPEP-CQSZACIVSA-N -1 3 312.413 3.839 20 0 DHADHM CCOCc1nnc([N-]Cc2ccc(-c3ccc(C)cc3)o2)o1 ZINC000181846298 520226653 /nfs/dbraw/zinc/22/66/53/520226653.db2.gz JFTZTEGEXCZRKM-UHFFFAOYSA-N -1 3 313.357 3.787 20 0 DHADHM CCO[N-]C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000182987880 520235405 /nfs/dbraw/zinc/23/54/05/520235405.db2.gz GCFVOMGNUSXLSU-UHFFFAOYSA-N -1 3 308.325 3.722 20 0 DHADHM CCCCOc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000156790395 520912758 /nfs/dbraw/zinc/91/27/58/520912758.db2.gz BYVCCWUSCWHQNZ-UHFFFAOYSA-N -1 3 320.311 3.871 20 0 DHADHM CCCCOc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000156790395 520912762 /nfs/dbraw/zinc/91/27/62/520912762.db2.gz BYVCCWUSCWHQNZ-UHFFFAOYSA-N -1 3 320.311 3.871 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000284313817 534634630 /nfs/dbraw/zinc/63/46/30/534634630.db2.gz SOZKUVCAMHGTIM-LBPRGKRZSA-N -1 3 301.789 3.848 20 0 DHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000156576093 523911177 /nfs/dbraw/zinc/91/11/77/523911177.db2.gz ZIWCHEHOZKTCTQ-SECBINFHSA-N -1 3 321.402 3.585 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)c([O-])c1 ZINC000338422753 525234686 /nfs/dbraw/zinc/23/46/86/525234686.db2.gz RWLPMABJXVBACT-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000104522800 525526391 /nfs/dbraw/zinc/52/63/91/525526391.db2.gz VVRTYOUHYQNBEZ-GFCCVEGCSA-N -1 3 307.353 3.509 20 0 DHADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000104522800 525526401 /nfs/dbraw/zinc/52/64/01/525526401.db2.gz VVRTYOUHYQNBEZ-GFCCVEGCSA-N -1 3 307.353 3.509 20 0 DHADHM CSCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(F)cc1 ZINC000105653872 525766036 /nfs/dbraw/zinc/76/60/36/525766036.db2.gz DNHKIBFOVOQTEM-UHFFFAOYSA-N -1 3 320.414 3.962 20 0 DHADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267189121 526220783 /nfs/dbraw/zinc/22/07/83/526220783.db2.gz BCLFITMAKSKPJJ-JSGCOSHPSA-N -1 3 312.413 3.885 20 0 DHADHM C[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C1CCCCC1 ZINC000338036222 526249640 /nfs/dbraw/zinc/24/96/40/526249640.db2.gz XGNLEHKJWILGHW-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM C[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C1CCCCC1 ZINC000338036222 526249643 /nfs/dbraw/zinc/24/96/43/526249643.db2.gz XGNLEHKJWILGHW-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C1CCCCC1 ZINC000338036222 526249650 /nfs/dbraw/zinc/24/96/50/526249650.db2.gz XGNLEHKJWILGHW-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000364849666 526334587 /nfs/dbraw/zinc/33/45/87/526334587.db2.gz NEDQDFHMMCCAMK-IBGZPJMESA-N -1 3 308.356 3.806 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1Cl ZINC000339371149 526361095 /nfs/dbraw/zinc/36/10/95/526361095.db2.gz HNBTVARGNFHSEQ-CQSZACIVSA-N -1 3 303.789 3.918 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCCC[C@H]2n2cccn2)c1Cl ZINC000339289819 526361776 /nfs/dbraw/zinc/36/17/76/526361776.db2.gz INKVPKZWVUASHM-UONOGXRCSA-N -1 3 305.809 3.516 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC2(CCCC2)CC1 ZINC000265761246 526625588 /nfs/dbraw/zinc/62/55/88/526625588.db2.gz YURJEKZKDOUEMM-UHFFFAOYSA-N -1 3 310.397 3.737 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000182523786 526768841 /nfs/dbraw/zinc/76/88/41/526768841.db2.gz CLQLABMPYQHRSS-AWEZNQCLSA-N -1 3 313.422 3.647 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000364194244 526906313 /nfs/dbraw/zinc/90/63/13/526906313.db2.gz YYHJJRSLBUFWIC-INIZCTEOSA-N -1 3 324.405 3.979 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000280396848 535073939 /nfs/dbraw/zinc/07/39/39/535073939.db2.gz DYWKTWCGNFKYHW-CYBMUJFWSA-N -1 3 312.413 3.839 20 0 DHADHM CC(C)OCCCc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000273883395 535328942 /nfs/dbraw/zinc/32/89/42/535328942.db2.gz MZUKJXSMANESGF-UHFFFAOYSA-N -1 3 316.401 3.679 20 0 DHADHM CCS[C@H]1CCCC[C@@H]1NCc1nc(=O)c2sccc2[n-]1 ZINC000299407951 535725634 /nfs/dbraw/zinc/72/56/34/535725634.db2.gz SRRNJKQVVXGAAG-JQWIXIFHSA-N -1 3 323.487 3.551 20 0 DHADHM CCc1c(NC([O-])=NOC(C)C)cnn1-c1ccccc1Cl ZINC000297775539 536076301 /nfs/dbraw/zinc/07/63/01/536076301.db2.gz LVIYKLXPEIOILA-UHFFFAOYSA-N -1 3 322.796 3.550 20 0 DHADHM CCc1c(NC(=O)[N-]OC(C)C)cnn1-c1ccccc1Cl ZINC000297775539 536076308 /nfs/dbraw/zinc/07/63/08/536076308.db2.gz LVIYKLXPEIOILA-UHFFFAOYSA-N -1 3 322.796 3.550 20 0 DHADHM CCc1nc(Cc2noc(-c3ccc(CC)cc3[O-])n2)cs1 ZINC000289048085 536144316 /nfs/dbraw/zinc/14/43/16/536144316.db2.gz XLPDMTFNDIBGSH-UHFFFAOYSA-N -1 3 315.398 3.614 20 0 DHADHM c1cc(CSc2ccc(-c3nnn[n-]3)cc2)cc2c1CCC2 ZINC000738421008 599014035 /nfs/dbraw/zinc/01/40/35/599014035.db2.gz OFIPYUDXDSCAKH-UHFFFAOYSA-N -1 3 308.410 3.648 20 0 DHADHM c1cc(CSc2ccc(-c3nn[n-]n3)cc2)cc2c1CCC2 ZINC000738421008 599014036 /nfs/dbraw/zinc/01/40/36/599014036.db2.gz OFIPYUDXDSCAKH-UHFFFAOYSA-N -1 3 308.410 3.648 20 0 DHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H](C)c2cccc(C)c2C)n1 ZINC000737247082 599066018 /nfs/dbraw/zinc/06/60/18/599066018.db2.gz ZCBBBFDXNKQIJB-CQSZACIVSA-N -1 3 322.416 3.668 20 0 DHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](C)c2cccc(C)c2C)n1 ZINC000737247082 599066022 /nfs/dbraw/zinc/06/60/22/599066022.db2.gz ZCBBBFDXNKQIJB-CQSZACIVSA-N -1 3 322.416 3.668 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000737288388 599085208 /nfs/dbraw/zinc/08/52/08/599085208.db2.gz OBANUNHAHQPKTI-UHFFFAOYSA-N -1 3 309.354 3.559 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000737288388 599085210 /nfs/dbraw/zinc/08/52/10/599085210.db2.gz OBANUNHAHQPKTI-UHFFFAOYSA-N -1 3 309.354 3.559 20 0 DHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736193483 599109207 /nfs/dbraw/zinc/10/92/07/599109207.db2.gz RVJPMAXQEQEZJS-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736193483 599109210 /nfs/dbraw/zinc/10/92/10/599109210.db2.gz RVJPMAXQEQEZJS-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM Cc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822240138 607308369 /nfs/dbraw/zinc/30/83/69/607308369.db2.gz UGIGDDBIIKRZGI-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM O=C([O-])CCCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000821518373 597798053 /nfs/dbraw/zinc/79/80/53/597798053.db2.gz YLLLDRQVYMTQTF-AWEZNQCLSA-N -1 3 302.374 3.610 20 0 DHADHM C[C@@H](Sc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190387 599284748 /nfs/dbraw/zinc/28/47/48/599284748.db2.gz DQHQPKJVWNWKIF-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190387 599284751 /nfs/dbraw/zinc/28/47/51/599284751.db2.gz DQHQPKJVWNWKIF-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826298365 607843854 /nfs/dbraw/zinc/84/38/54/607843854.db2.gz PHKKBOOWTYEJOH-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826298365 607843855 /nfs/dbraw/zinc/84/38/55/607843855.db2.gz PHKKBOOWTYEJOH-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM O=C([O-])CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000821521760 598217675 /nfs/dbraw/zinc/21/76/75/598217675.db2.gz KOFNWGDTFBOZJM-LJQANCHMSA-N -1 3 324.380 3.762 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736137131 598234267 /nfs/dbraw/zinc/23/42/67/598234267.db2.gz IKGPMKLSCTWHEH-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM CC[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000736332367 598277410 /nfs/dbraw/zinc/27/74/10/598277410.db2.gz MHUKYEWKJXATCF-LLVKDONJSA-N -1 3 321.450 3.556 20 0 DHADHM CC[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000736332367 598277413 /nfs/dbraw/zinc/27/74/13/598277413.db2.gz MHUKYEWKJXATCF-LLVKDONJSA-N -1 3 321.450 3.556 20 0 DHADHM CC[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000736332368 598277790 /nfs/dbraw/zinc/27/77/90/598277790.db2.gz MHUKYEWKJXATCF-NSHDSACASA-N -1 3 321.450 3.556 20 0 DHADHM CC[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000736332368 598277791 /nfs/dbraw/zinc/27/77/91/598277791.db2.gz MHUKYEWKJXATCF-NSHDSACASA-N -1 3 321.450 3.556 20 0 DHADHM Fc1cccc(CSCc2cccc(-c3nnn[n-]3)c2)c1F ZINC000737661198 598314166 /nfs/dbraw/zinc/31/41/66/598314166.db2.gz NOECXBYEFZIJEK-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(CSCc2cccc(-c3nn[n-]n3)c2)c1F ZINC000737661198 598314168 /nfs/dbraw/zinc/31/41/68/598314168.db2.gz NOECXBYEFZIJEK-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000736140662 598636145 /nfs/dbraw/zinc/63/61/45/598636145.db2.gz YXJHGRFEYKVKFH-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000736140662 598636147 /nfs/dbraw/zinc/63/61/47/598636147.db2.gz YXJHGRFEYKVKFH-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM Cc1ccccc1[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000737424784 598788985 /nfs/dbraw/zinc/78/89/85/598788985.db2.gz XLHJJASKBOHUBC-KRWDZBQOSA-N -1 3 323.375 3.877 20 0 DHADHM Cc1ccccc1[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000737424784 598788987 /nfs/dbraw/zinc/78/89/87/598788987.db2.gz XLHJJASKBOHUBC-KRWDZBQOSA-N -1 3 323.375 3.877 20 0 DHADHM CC1(C)CN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736213715 598815256 /nfs/dbraw/zinc/81/52/56/598815256.db2.gz MZZJCJFCPFVDQZ-MRXNPFEDSA-N -1 3 323.375 3.593 20 0 DHADHM CC1(C)CN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000736213715 598815257 /nfs/dbraw/zinc/81/52/57/598815257.db2.gz MZZJCJFCPFVDQZ-MRXNPFEDSA-N -1 3 323.375 3.593 20 0 DHADHM C[C@@H]1CCCC[C@@H]1OCCSc1ccccc1-c1nnn[n-]1 ZINC000820703274 599344257 /nfs/dbraw/zinc/34/42/57/599344257.db2.gz DMSMMDJUQWKGJJ-OCCSQVGLSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H]1CCCC[C@@H]1OCCSc1ccccc1-c1nn[n-]n1 ZINC000820703274 599344260 /nfs/dbraw/zinc/34/42/60/599344260.db2.gz DMSMMDJUQWKGJJ-OCCSQVGLSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H](Nc1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462195 599367608 /nfs/dbraw/zinc/36/76/08/599367608.db2.gz VTPQPYSFGMFRER-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462195 599367611 /nfs/dbraw/zinc/36/76/11/599367611.db2.gz VTPQPYSFGMFRER-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM Cc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000737265082 599399629 /nfs/dbraw/zinc/39/96/29/599399629.db2.gz SAIIGORDDVRVKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000737265082 599399630 /nfs/dbraw/zinc/39/96/30/599399630.db2.gz SAIIGORDDVRVKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000581017945 599717566 /nfs/dbraw/zinc/71/75/66/599717566.db2.gz ZXMMIVDJONMEMX-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000315594581 600223116 /nfs/dbraw/zinc/22/31/16/600223116.db2.gz OQBAOUQVKHRCJS-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM COc1ccccc1CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738133668 600398146 /nfs/dbraw/zinc/39/81/46/600398146.db2.gz QQZCWBAFBAHHIA-INIZCTEOSA-N -1 3 319.788 3.606 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCS[C@H](c2ccccc2)C1 ZINC000736717116 600411900 /nfs/dbraw/zinc/41/19/00/600411900.db2.gz KNZJMAYMBQQZPS-LRDDRELGSA-N -1 3 317.410 3.829 20 0 DHADHM COc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738093722 600426874 /nfs/dbraw/zinc/42/68/74/600426874.db2.gz YIWSBUUWIUKBIF-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccc(F)cc1 ZINC000739505114 600428599 /nfs/dbraw/zinc/42/85/99/600428599.db2.gz ATZNYVFBZHTJAR-HOTGVXAUSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000739506359 600429331 /nfs/dbraw/zinc/42/93/31/600429331.db2.gz FQSBLQGSVPAYEV-GOEBONIOSA-N -1 3 317.385 3.778 20 0 DHADHM CC[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736921443 600452772 /nfs/dbraw/zinc/45/27/72/600452772.db2.gz ZPVCOMBOGROQMM-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)CCc1nc(CNC2(C(=O)[O-])CCCCC2)cs1 ZINC000736435206 600461458 /nfs/dbraw/zinc/46/14/58/600461458.db2.gz CCJXVJKYYRHBNN-UHFFFAOYSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccccc1C(=O)[O-] ZINC000736716572 600556831 /nfs/dbraw/zinc/55/68/31/600556831.db2.gz HISFMCJMLWZPLT-NSHDSACASA-N -1 3 305.324 3.856 20 0 DHADHM CC[C@@](C)(NCc1nc2ccccc2c(C)c1Cl)C(=O)[O-] ZINC000094229208 600562058 /nfs/dbraw/zinc/56/20/58/600562058.db2.gz RPSDZWZEOYEXCL-MRXNPFEDSA-N -1 3 306.793 3.540 20 0 DHADHM CCc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830236972 600732334 /nfs/dbraw/zinc/73/23/34/600732334.db2.gz FJLOFHDEGQAKPC-PXAZEXFGSA-N -1 3 301.361 3.865 20 0 DHADHM Cc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832966663 600751878 /nfs/dbraw/zinc/75/18/78/600751878.db2.gz VOSNRCFBAAKQLX-SUMWQHHRSA-N -1 3 301.361 3.919 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000577226551 600972676 /nfs/dbraw/zinc/97/26/76/600972676.db2.gz LSENFYWSPKQRLO-HZPDHXFCSA-N -1 3 321.417 3.538 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000830369338 601413433 /nfs/dbraw/zinc/41/34/33/601413433.db2.gz NKFFEPZGAKSHMF-HNNXBMFYSA-N -1 3 315.369 3.583 20 0 DHADHM CC(C)N(Cc1cccs1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232936797 601621921 /nfs/dbraw/zinc/62/19/21/601621921.db2.gz QDGFWNXGPSLBFD-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000566355216 601841326 /nfs/dbraw/zinc/84/13/26/601841326.db2.gz ZDHRGHUCKYNOLG-INIZCTEOSA-N -1 3 311.372 3.993 20 0 DHADHM O=C([O-])NC[C@H]1CCN(Cc2sc3ccccc3c2Cl)C1 ZINC000740647011 601951195 /nfs/dbraw/zinc/95/11/95/601951195.db2.gz VVQNWBKUUAZDFU-SNVBAGLBSA-N -1 3 324.833 3.644 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])s1)CCC2 ZINC000652413342 601954151 /nfs/dbraw/zinc/95/41/51/601954151.db2.gz RLTJIVJXOHAQKD-GFCCVEGCSA-N -1 3 322.455 3.721 20 0 DHADHM O=C([O-])[C@@H](NCc1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000833170322 601973963 /nfs/dbraw/zinc/97/39/63/601973963.db2.gz SEBQYAIOUJFYLA-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM O=C([O-])[C@H](NCCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000833165635 601977016 /nfs/dbraw/zinc/97/70/16/601977016.db2.gz CKIYHCSMTXBARU-SECBINFHSA-N -1 3 316.106 3.661 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833168691 601981058 /nfs/dbraw/zinc/98/10/58/601981058.db2.gz ZHIRSJAXMFKCGQ-GZMMTYOYSA-N -1 3 324.154 3.897 20 0 DHADHM Cc1[nH]c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cc2c1C ZINC000829829052 603541337 /nfs/dbraw/zinc/54/13/37/603541337.db2.gz ZJGKDPUXPHZHCB-UHFFFAOYSA-N -1 3 324.384 3.559 20 0 DHADHM Cc1ccccc1[C@H](NCc1ccc(NC(=O)[O-])nc1)C1CC1 ZINC000830559929 603552722 /nfs/dbraw/zinc/55/27/22/603552722.db2.gz POTNXELITDCQOO-QGZVFWFLSA-N -1 3 311.385 3.721 20 0 DHADHM c1cc2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2s1 ZINC000826517120 607688671 /nfs/dbraw/zinc/68/86/71/607688671.db2.gz RIQUCRXBGYRUEJ-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1cc2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC000826517120 607688672 /nfs/dbraw/zinc/68/86/72/607688672.db2.gz RIQUCRXBGYRUEJ-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Cc1cc([C@H](C)N(C)CCCOc2ccccc2)oc1C(=O)[O-] ZINC000571410310 604381024 /nfs/dbraw/zinc/38/10/24/604381024.db2.gz RMXHMBHOBODTLD-AWEZNQCLSA-N -1 3 317.385 3.748 20 0 DHADHM Cc1cc([C@@H](C)N(C)CCCOc2ccccc2)oc1C(=O)[O-] ZINC000571410314 604381578 /nfs/dbraw/zinc/38/15/78/604381578.db2.gz RMXHMBHOBODTLD-CQSZACIVSA-N -1 3 317.385 3.748 20 0 DHADHM C[C@@]1(NCc2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000833569620 604763974 /nfs/dbraw/zinc/76/39/74/604763974.db2.gz KTSSHQOQTYZNFU-LJQANCHMSA-N -1 3 313.372 3.865 20 0 DHADHM CC(C)Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826913434 604985561 /nfs/dbraw/zinc/98/55/61/604985561.db2.gz WBOJQFWOTKLXJQ-RDTXWAMCSA-N -1 3 312.413 3.757 20 0 DHADHM COc1ccc(C)cc1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000833730556 605065241 /nfs/dbraw/zinc/06/52/41/605065241.db2.gz HDFQHCADWBLYRO-NSHDSACASA-N -1 3 305.399 3.614 20 0 DHADHM COc1ccc(C)cc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000833730555 605065606 /nfs/dbraw/zinc/06/56/06/605065606.db2.gz HDFQHCADWBLYRO-LLVKDONJSA-N -1 3 305.399 3.614 20 0 DHADHM C[C@]1(NCc2csc(C3CCCC3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571423 605070128 /nfs/dbraw/zinc/07/01/28/605070128.db2.gz YXXRSMLDHOXGJG-PBHICJAKSA-N -1 3 322.474 3.924 20 0 DHADHM CCOc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])o2)cc1 ZINC000570050878 605124287 /nfs/dbraw/zinc/12/42/87/605124287.db2.gz IZLRRNOZYRXPFJ-MRXNPFEDSA-N -1 3 315.369 3.714 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@](C)(CC)c1ccccc1 ZINC000833678238 605136565 /nfs/dbraw/zinc/13/65/65/605136565.db2.gz LIVIILHAIZAUJD-GOSISDBHSA-N -1 3 301.386 3.955 20 0 DHADHM C[C@H]1CCC[C@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652366976 605211041 /nfs/dbraw/zinc/21/10/41/605211041.db2.gz ASEGDQDIPUZESO-STQMWFEESA-N -1 3 314.385 3.803 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833672891 605270391 /nfs/dbraw/zinc/27/03/91/605270391.db2.gz GHQVDNXLSHXFIV-MEDUHNTESA-N -1 3 318.804 3.774 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2c2ccc(F)cc2)O1 ZINC000833585755 605353597 /nfs/dbraw/zinc/35/35/97/605353597.db2.gz UWZHWYIHIUVKKB-WBVHZDCISA-N -1 3 319.376 3.500 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)nc1 ZINC000834262354 605583657 /nfs/dbraw/zinc/58/36/57/605583657.db2.gz KZEUWNZXJYCVSK-AWEZNQCLSA-N -1 3 317.776 3.602 20 0 DHADHM C[C@]1(NCc2cc(C(=O)[O-])ccc2F)CCCc2ccccc21 ZINC000833572459 605840360 /nfs/dbraw/zinc/84/03/60/605840360.db2.gz UEUFWTSASPZJGY-IBGZPJMESA-N -1 3 313.372 3.865 20 0 DHADHM Cc1cc(C)c(NCc2cc(-c3nnn[n-]3)ccc2F)c(C)c1 ZINC000822194115 606441639 /nfs/dbraw/zinc/44/16/39/606441639.db2.gz JKOJXXLWUUQRDO-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cc(C)c(NCc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000822194115 606441640 /nfs/dbraw/zinc/44/16/40/606441640.db2.gz JKOJXXLWUUQRDO-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Clc1ccc(NCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822579235 606636684 /nfs/dbraw/zinc/63/66/84/606636684.db2.gz YUPLKAHUOKXJRX-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822579235 606636685 /nfs/dbraw/zinc/63/66/85/606636685.db2.gz YUPLKAHUOKXJRX-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM c1ccc2cc(CNc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000114902453 606659390 /nfs/dbraw/zinc/65/93/90/606659390.db2.gz ZUBOJKILOZCPEV-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2cc(CNc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000114902453 606659391 /nfs/dbraw/zinc/65/93/91/606659391.db2.gz ZUBOJKILOZCPEV-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM FC1(F)CCC[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822736889 607131436 /nfs/dbraw/zinc/13/14/36/607131436.db2.gz LSIDGLOHXISKKE-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822736889 607131437 /nfs/dbraw/zinc/13/14/37/607131437.db2.gz LSIDGLOHXISKKE-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822736890 607131511 /nfs/dbraw/zinc/13/15/11/607131511.db2.gz LSIDGLOHXISKKE-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822736890 607131512 /nfs/dbraw/zinc/13/15/12/607131512.db2.gz LSIDGLOHXISKKE-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM Fc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826373919 607915729 /nfs/dbraw/zinc/91/57/29/607915729.db2.gz DVBKMORQPVOOGL-VURMDHGXSA-N -1 3 323.356 3.786 20 0 DHADHM Fc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826373919 607915730 /nfs/dbraw/zinc/91/57/30/607915730.db2.gz DVBKMORQPVOOGL-VURMDHGXSA-N -1 3 323.356 3.786 20 0 DHADHM CC(C)n1c2cc(F)ccc2nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000824371469 607974807 /nfs/dbraw/zinc/97/48/07/607974807.db2.gz GUPGCZRVTQEGIB-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM CC(C)n1c2cc(F)ccc2nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000824371469 607974808 /nfs/dbraw/zinc/97/48/08/607974808.db2.gz GUPGCZRVTQEGIB-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM Cc1cnc([C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317968 608153932 /nfs/dbraw/zinc/15/39/32/608153932.db2.gz RBHMBENRQNFWFW-GHMZBOCLSA-N -1 3 315.402 3.719 20 0 DHADHM Cc1cnc([C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317968 608153933 /nfs/dbraw/zinc/15/39/33/608153933.db2.gz RBHMBENRQNFWFW-GHMZBOCLSA-N -1 3 315.402 3.719 20 0 DHADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1CC ZINC000825717631 608428870 /nfs/dbraw/zinc/42/88/70/608428870.db2.gz NVZKEULSHQEORR-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM C[C@@H](Nc1cccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824663072 609160739 /nfs/dbraw/zinc/16/07/39/609160739.db2.gz VOMYESCDSOYGGM-CYBMUJFWSA-N -1 3 319.412 3.919 20 0 DHADHM C[C@@H](Nc1cccc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824663072 609160740 /nfs/dbraw/zinc/16/07/40/609160740.db2.gz VOMYESCDSOYGGM-CYBMUJFWSA-N -1 3 319.412 3.919 20 0 DHADHM CCOCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825604395 609247784 /nfs/dbraw/zinc/24/77/84/609247784.db2.gz IKZMBXQVWYZIEP-ZDUSSCGKSA-N -1 3 323.400 3.576 20 0 DHADHM CCOCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825604395 609247786 /nfs/dbraw/zinc/24/77/86/609247786.db2.gz IKZMBXQVWYZIEP-ZDUSSCGKSA-N -1 3 323.400 3.576 20 0 DHADHM Cc1cscc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826321154 609248932 /nfs/dbraw/zinc/24/89/32/609248932.db2.gz SEYPYLXZVFLMQP-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cscc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826321154 609248933 /nfs/dbraw/zinc/24/89/33/609248933.db2.gz SEYPYLXZVFLMQP-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM Cc1ccc(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826284834 609272658 /nfs/dbraw/zinc/27/26/58/609272658.db2.gz HLSIYZCPIOTNPH-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826284834 609272659 /nfs/dbraw/zinc/27/26/59/609272659.db2.gz HLSIYZCPIOTNPH-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826289669 609272675 /nfs/dbraw/zinc/27/26/75/609272675.db2.gz IPIWLZWQOOVERG-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826289669 609272676 /nfs/dbraw/zinc/27/26/76/609272676.db2.gz IPIWLZWQOOVERG-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CCOc1cc(C)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825615739 609275488 /nfs/dbraw/zinc/27/54/88/609275488.db2.gz ITZCRVPKNSCYHV-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(C)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825615739 609275490 /nfs/dbraw/zinc/27/54/90/609275490.db2.gz ITZCRVPKNSCYHV-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826299430 609348419 /nfs/dbraw/zinc/34/84/19/609348419.db2.gz FEAWQQVLLFYACK-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000826299430 609348420 /nfs/dbraw/zinc/34/84/20/609348420.db2.gz FEAWQQVLLFYACK-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826270548 609348483 /nfs/dbraw/zinc/34/84/83/609348483.db2.gz FKFGXEJPAIWDLL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826270548 609348485 /nfs/dbraw/zinc/34/84/85/609348485.db2.gz FKFGXEJPAIWDLL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826240752 609349957 /nfs/dbraw/zinc/34/99/57/609349957.db2.gz GNHSYMMDKQVAFZ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826240752 609349958 /nfs/dbraw/zinc/34/99/58/609349958.db2.gz GNHSYMMDKQVAFZ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826268304 609350509 /nfs/dbraw/zinc/35/05/09/609350509.db2.gz RYTGFMFBHSIHPL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826268304 609350511 /nfs/dbraw/zinc/35/05/11/609350511.db2.gz RYTGFMFBHSIHPL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CCC(CC)n1ccc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000322152268 970853965 /nfs/dbraw/zinc/85/39/65/970853965.db2.gz LGAGYKFHEFUKPZ-CQSZACIVSA-N -1 3 321.465 3.567 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736192878 944757891 /nfs/dbraw/zinc/75/78/91/944757891.db2.gz NYGDXJAMEBIKCZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736192878 944757897 /nfs/dbraw/zinc/75/78/97/944757897.db2.gz NYGDXJAMEBIKCZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Cc1cccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822289037 946046093 /nfs/dbraw/zinc/04/60/93/946046093.db2.gz PVEHHYCEDQNCRN-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822289037 946046106 /nfs/dbraw/zinc/04/61/06/946046106.db2.gz PVEHHYCEDQNCRN-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000824756821 946925560 /nfs/dbraw/zinc/92/55/60/946925560.db2.gz PZCLVVBIMMBOSW-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000824756821 946925569 /nfs/dbraw/zinc/92/55/69/946925569.db2.gz PZCLVVBIMMBOSW-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1cccnc1 ZINC000824753623 946926477 /nfs/dbraw/zinc/92/64/77/946926477.db2.gz FVZRHXXPIJBVHR-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1cccnc1 ZINC000824753623 946926481 /nfs/dbraw/zinc/92/64/81/946926481.db2.gz FVZRHXXPIJBVHR-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825735675 947303600 /nfs/dbraw/zinc/30/36/00/947303600.db2.gz SKWQXRWMIFGGGD-CHWSQXEVSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825735675 947303615 /nfs/dbraw/zinc/30/36/15/947303615.db2.gz SKWQXRWMIFGGGD-CHWSQXEVSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825735750 947305373 /nfs/dbraw/zinc/30/53/73/947305373.db2.gz UMEGTFGQORXCFK-CHWSQXEVSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825735750 947305387 /nfs/dbraw/zinc/30/53/87/947305387.db2.gz UMEGTFGQORXCFK-CHWSQXEVSA-N -1 3 307.401 3.731 20 0 DHADHM Cc1c2ccc(F)cc2nc(-c2ccsc2)c1-c1nnn[n-]1 ZINC000826233382 947685499 /nfs/dbraw/zinc/68/54/99/947685499.db2.gz FKDRPBCTODCLNA-UHFFFAOYSA-N -1 3 311.345 3.591 20 0 DHADHM Cc1c2ccc(F)cc2nc(-c2ccsc2)c1-c1nn[n-]n1 ZINC000826233382 947685508 /nfs/dbraw/zinc/68/55/08/947685508.db2.gz FKDRPBCTODCLNA-UHFFFAOYSA-N -1 3 311.345 3.591 20 0 DHADHM CCCCC[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525060202 948538957 /nfs/dbraw/zinc/53/89/57/948538957.db2.gz TWYFPHSFTFSACG-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525060202 948538961 /nfs/dbraw/zinc/53/89/61/948538961.db2.gz TWYFPHSFTFSACG-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CC(C)c1ccccc1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001574419374 948783648 /nfs/dbraw/zinc/78/36/48/948783648.db2.gz DNEWERNOYLZVCE-UHFFFAOYSA-N -1 3 319.412 3.553 20 0 DHADHM CC(C)c1ccccc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001574419374 948783660 /nfs/dbraw/zinc/78/36/60/948783660.db2.gz DNEWERNOYLZVCE-UHFFFAOYSA-N -1 3 319.412 3.553 20 0 DHADHM C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000424425366 953482112 /nfs/dbraw/zinc/48/21/12/953482112.db2.gz YORVDKHWSYDFSW-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC001594844279 954117797 /nfs/dbraw/zinc/11/77/97/954117797.db2.gz TVRSOYUNUHZXNV-AWEZNQCLSA-N -1 3 309.287 3.679 20 0 DHADHM CC(C)(C)c1csc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000387565723 972127907 /nfs/dbraw/zinc/12/79/07/972127907.db2.gz LYVZRFOOISJROY-GFCCVEGCSA-N -1 3 324.490 3.763 20 0 DHADHM C[C@](NCc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001589131133 956189783 /nfs/dbraw/zinc/18/97/83/956189783.db2.gz BOQWPDJKCSAPOV-MRXNPFEDSA-N -1 3 307.752 3.569 20 0 DHADHM O=C([O-])[C@H](NCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000037966587 957341066 /nfs/dbraw/zinc/34/10/66/957341066.db2.gz BBACUCWNPMWIOO-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM O=C([O-])[C@@H](NCc1cccs1)c1ccccc1C(F)(F)F ZINC000037966632 957341199 /nfs/dbraw/zinc/34/11/99/957341199.db2.gz ZRXHSKKTBSBZEY-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000339958938 1013168539 /nfs/dbraw/zinc/16/85/39/1013168539.db2.gz AQCJJLYAWWQYRC-CYBMUJFWSA-N -1 3 315.756 3.744 20 0 DHADHM CSCc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC001594188301 959142619 /nfs/dbraw/zinc/14/26/19/959142619.db2.gz YNRWMTGKSGBWKG-UHFFFAOYSA-N -1 3 301.411 3.538 20 0 DHADHM CCNc1ccccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573887754 961311455 /nfs/dbraw/zinc/31/14/55/961311455.db2.gz GYUKJDSMCOZPNK-SJLPKXTDSA-N -1 3 310.397 3.521 20 0 DHADHM CCCC[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000262692441 961809555 /nfs/dbraw/zinc/80/95/55/961809555.db2.gz GQXAZELSIYPPRL-LBPRGKRZSA-N -1 3 310.444 3.605 20 0 DHADHM Cc1ccc(CC2CCN(Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001345137023 962241008 /nfs/dbraw/zinc/24/10/08/962241008.db2.gz JIUBNRPTQGDEEJ-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM O=C([O-])C[C@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC001574680226 962580077 /nfs/dbraw/zinc/58/00/77/962580077.db2.gz VJWGQRZTMOFFNA-LLVKDONJSA-N -1 3 316.228 3.723 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000263439218 962618865 /nfs/dbraw/zinc/61/88/65/962618865.db2.gz VTGKPSFUJFAXDM-QGZVFWFLSA-N -1 3 311.381 3.561 20 0 DHADHM Cc1ccc(F)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000277121224 962848081 /nfs/dbraw/zinc/84/80/81/962848081.db2.gz AZBSSJMAMNHSRL-DYVFJYSZSA-N -1 3 301.361 3.686 20 0 DHADHM C[C@H](CCc1ccccc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315350146 963887754 /nfs/dbraw/zinc/88/77/54/963887754.db2.gz PISGFFZSCLFHBX-VXGBXAGGSA-N -1 3 304.415 3.513 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC001167259480 1013469701 /nfs/dbraw/zinc/46/97/01/1013469701.db2.gz WQHYYPNURWSSNL-LLVKDONJSA-N -1 3 321.804 3.774 20 0 DHADHM [O-]c1ccc(Cc2nc(Cc3ccc4c(c3)CCC4)no2)cc1F ZINC000579918417 1013560343 /nfs/dbraw/zinc/56/03/43/1013560343.db2.gz VATUFNAQBSMVST-UHFFFAOYSA-N -1 3 324.355 3.585 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2c(F)cccc2F)C2CC2)n1 ZINC000361734396 1032073829 /nfs/dbraw/zinc/07/38/29/1032073829.db2.gz PKOCXOYSUFDRAH-UHFFFAOYSA-N -1 3 304.340 3.538 20 0 DHADHM COc1c(C)cnc(C/N=C/c2cc(Cl)ccc2[O-])c1C ZINC000064853178 1013670622 /nfs/dbraw/zinc/67/06/22/1013670622.db2.gz DJXKXLLGKXFZLU-QGMBQPNBSA-N -1 3 304.777 3.685 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC000520241834 1013684928 /nfs/dbraw/zinc/68/49/28/1013684928.db2.gz OAHQJESZPHFZHI-OTYXRUKQSA-N -1 3 302.201 3.536 20 0 DHADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])C[C@H]2C[C@H]2C1 ZINC000583512577 1018520217 /nfs/dbraw/zinc/52/02/17/1018520217.db2.gz RJBOCYLQPFLSGS-QRJZZWFUSA-N -1 3 310.191 3.529 20 0 DHADHM Cc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1Cl ZINC000070273881 1013818199 /nfs/dbraw/zinc/81/81/99/1013818199.db2.gz DHVGBFMMXNPBTJ-UHFFFAOYSA-N -1 3 303.789 3.829 20 0 DHADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331357027 1013878873 /nfs/dbraw/zinc/87/88/73/1013878873.db2.gz SRTUFASTBJXMJJ-SFHVURJKSA-N -1 3 303.402 3.637 20 0 DHADHM O=C([O-])c1ccc(CN2CC(c3ccc(Cl)cc3)C2)s1 ZINC000903690771 969587067 /nfs/dbraw/zinc/58/70/67/969587067.db2.gz RHLPJEXGJPYVRT-UHFFFAOYSA-N -1 3 307.802 3.699 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1-c1cccs1 ZINC000155635107 1014071105 /nfs/dbraw/zinc/07/11/05/1014071105.db2.gz MELBVVMFSXLBIN-OAHLLOKOSA-N -1 3 318.398 3.995 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1-c1cccs1 ZINC000155635107 1014071119 /nfs/dbraw/zinc/07/11/19/1014071119.db2.gz MELBVVMFSXLBIN-OAHLLOKOSA-N -1 3 318.398 3.995 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CCc1c(Cl)cccc1Cl ZINC001603391630 973013843 /nfs/dbraw/zinc/01/38/43/973013843.db2.gz NBUBKFAYEWIKTE-WDEREUQCSA-N -1 3 316.228 3.721 20 0 DHADHM O=C([O-])c1sc2ccccc2c1CN1CCC(F)(F)CC1 ZINC000405118116 973766208 /nfs/dbraw/zinc/76/62/08/973766208.db2.gz UCCPRUFCUVCDMR-UHFFFAOYSA-N -1 3 311.353 3.831 20 0 DHADHM CCc1cccnc1[C@H](C)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603976585 974475035 /nfs/dbraw/zinc/47/50/35/974475035.db2.gz PIBHKADFOLYTQD-ZLIFDBKOSA-N -1 3 310.397 3.608 20 0 DHADHM O=C([O-])CC[C@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000562800079 974509430 /nfs/dbraw/zinc/50/94/30/974509430.db2.gz NCWKELJZBFCZAR-HNNXBMFYSA-N -1 3 316.426 3.716 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563281558 974526098 /nfs/dbraw/zinc/52/60/98/974526098.db2.gz CIAIRQRVKDRXTB-BLLLJJGKSA-N -1 3 314.385 3.803 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2conc2C(F)(F)F)s1 ZINC000828800022 1014200014 /nfs/dbraw/zinc/20/00/14/1014200014.db2.gz BMSLMVBKQNZJBP-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM C[C@H](CN(C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000568062587 974658491 /nfs/dbraw/zinc/65/84/91/974658491.db2.gz IXSPFSGYUWCYIX-GHMZBOCLSA-N -1 3 322.792 3.709 20 0 DHADHM CC[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000574922440 974792055 /nfs/dbraw/zinc/79/20/55/974792055.db2.gz UAWUINKQTRHRGI-GFCCVEGCSA-N -1 3 316.426 3.740 20 0 DHADHM O=C([O-])C1(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000580778674 974900049 /nfs/dbraw/zinc/90/00/49/974900049.db2.gz MTALTFOECOQJJY-ZDUSSCGKSA-N -1 3 314.212 3.995 20 0 DHADHM CC[C@@H](CC(F)F)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629366954 975085398 /nfs/dbraw/zinc/08/53/98/975085398.db2.gz BBNUJHGEGPULQD-JTQLQIEISA-N -1 3 315.335 3.563 20 0 DHADHM Cc1ccc2ncc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc2c1 ZINC000629377529 975091204 /nfs/dbraw/zinc/09/12/04/975091204.db2.gz NBTJGTTUJKQZJH-LNLFQRSKSA-N -1 3 324.424 3.618 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccoc2C)c([O-])c1 ZINC000190188210 1014241598 /nfs/dbraw/zinc/24/15/98/1014241598.db2.gz BPGFIAZKOIIPRR-UHFFFAOYSA-N -1 3 317.385 3.745 20 0 DHADHM [O-]c1cc(Nc2cnccc2Br)c(F)cc1F ZINC001211232949 1014249002 /nfs/dbraw/zinc/24/90/02/1014249002.db2.gz IFUXFTFEVZOYFG-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000134214184 1014336986 /nfs/dbraw/zinc/33/69/86/1014336986.db2.gz QJBUUMIAZYPHCY-KOLCDFICSA-N -1 3 317.307 3.697 20 0 DHADHM CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598379 1014352460 /nfs/dbraw/zinc/35/24/60/1014352460.db2.gz UYOGIUKPHXZEOB-UHFFFAOYSA-N -1 3 310.246 3.769 20 0 DHADHM Cc1cnc(Nc2cc(F)c([O-])cc2F)c(Br)c1 ZINC001215569637 1014478954 /nfs/dbraw/zinc/47/89/54/1014478954.db2.gz AHCATXRYXABCTL-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCC(CC)N(CC)CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001595114681 979467814 /nfs/dbraw/zinc/46/78/14/979467814.db2.gz YNRPBRDNAVAVJJ-UHFFFAOYSA-N -1 3 316.401 3.559 20 0 DHADHM Cc1ccc(S[C@@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128292407 1014582831 /nfs/dbraw/zinc/58/28/31/1014582831.db2.gz QMUUVHXJQIIZER-NSHDSACASA-N -1 3 305.374 3.959 20 0 DHADHM C[C@H](c1nc2ccccc2s1)N(C)CCC(C)(C)C(=O)[O-] ZINC000859782769 979628832 /nfs/dbraw/zinc/62/88/32/979628832.db2.gz ABYTUKZGCABWOV-LLVKDONJSA-N -1 3 306.431 3.790 20 0 DHADHM O=C(Nc1ccc(C2CCC2)cn1)c1cc([O-])ccc1Cl ZINC000294642543 1032097927 /nfs/dbraw/zinc/09/79/27/1032097927.db2.gz HYTGZXQSJQTFFD-UHFFFAOYSA-N -1 3 302.761 3.960 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])cs1)CCC2 ZINC000872159703 980045266 /nfs/dbraw/zinc/04/52/66/980045266.db2.gz YJRCSCWHKPRZJZ-CYBMUJFWSA-N -1 3 322.455 3.721 20 0 DHADHM [O-]c1c(-c2nc([C@@H]3CCCN3)no2)cc(Cl)c2ccccc12 ZINC000647147082 1014639066 /nfs/dbraw/zinc/63/90/66/1014639066.db2.gz JTLHDVFFBAZKAC-ZDUSSCGKSA-N -1 3 315.760 3.673 20 0 DHADHM CC[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595281189 980331813 /nfs/dbraw/zinc/33/18/13/980331813.db2.gz JWXFEAFNBUAIFY-SJKOYZFVSA-N -1 3 314.385 3.590 20 0 DHADHM CC[C@@H](N[C@@H](CC(C)C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001595281593 980335998 /nfs/dbraw/zinc/33/59/98/980335998.db2.gz RKHAIVYHTRYNFS-BDAKNGLRSA-N -1 3 324.368 3.702 20 0 DHADHM CC[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C(=O)[O-])cc1 ZINC001595284161 980353693 /nfs/dbraw/zinc/35/36/93/980353693.db2.gz QBCRATKUUJIPOJ-DLBZAZTESA-N -1 3 311.381 3.819 20 0 DHADHM O=C([O-])CC[C@@H](NCc1scnc1C1CC1)c1ccccc1 ZINC000901646097 980422684 /nfs/dbraw/zinc/42/26/84/980422684.db2.gz DMLDDHLKPJREOV-CQSZACIVSA-N -1 3 316.426 3.716 20 0 DHADHM CC[C@@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(Cl)s1 ZINC001595299191 980425185 /nfs/dbraw/zinc/42/51/85/980425185.db2.gz MFNMWZXNNKQLOX-SNVBAGLBSA-N -1 3 312.822 3.977 20 0 DHADHM CC[C@@H](NCc1cccc(C)c1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299690 980430140 /nfs/dbraw/zinc/43/01/40/980430140.db2.gz CCTQOLQEWAUSSW-QGZVFWFLSA-N -1 3 313.397 3.943 20 0 DHADHM C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1ncc(C(=O)[O-])s1 ZINC000901908192 980621346 /nfs/dbraw/zinc/62/13/46/980621346.db2.gz QHSNHYPYXXPGOS-ZRUFSTJUSA-N -1 3 322.455 3.746 20 0 DHADHM C[C@@H](CCc1ccsc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908182 980621383 /nfs/dbraw/zinc/62/13/83/980621383.db2.gz QFHHIVDYNUNQGM-UWVGGRQHSA-N -1 3 310.444 3.575 20 0 DHADHM Cc1cc(C)c(/C=C\CN2CCSC[C@H]2CC(=O)[O-])c(C)c1 ZINC000901981821 980660859 /nfs/dbraw/zinc/66/08/59/980660859.db2.gz JAQWANGOUUUBRX-YIEVGGLXSA-N -1 3 319.470 3.517 20 0 DHADHM CC[C@@H](NCc1csc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000902074213 980722255 /nfs/dbraw/zinc/72/22/55/980722255.db2.gz UWYMSJLHYMAEPI-CQSZACIVSA-N -1 3 305.399 3.696 20 0 DHADHM Cc1ccc(SC[C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000902330949 980836627 /nfs/dbraw/zinc/83/66/27/980836627.db2.gz CTARFTAMNBUABK-LBPRGKRZSA-N -1 3 305.399 3.557 20 0 DHADHM Cc1oc(CN[C@H](C)CSc2ccc(C)cc2)cc1C(=O)[O-] ZINC000902333290 980837367 /nfs/dbraw/zinc/83/73/67/980837367.db2.gz RAYBIKMJAKBWLJ-GFCCVEGCSA-N -1 3 319.426 3.865 20 0 DHADHM COc1ccc(C(C)(C)NCc2cc(C(=O)[O-])cs2)cc1F ZINC000902358247 980851506 /nfs/dbraw/zinc/85/15/06/980851506.db2.gz GQYZAXZIEUHSTK-UHFFFAOYSA-N -1 3 323.389 3.619 20 0 DHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902525851 980921957 /nfs/dbraw/zinc/92/19/57/980921957.db2.gz LZXWKCROWHRYOJ-MNOVXSKESA-N -1 3 322.792 3.650 20 0 DHADHM CCc1oc(CN(C)C(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000902547234 980928943 /nfs/dbraw/zinc/92/89/43/980928943.db2.gz NKOMLTLHJROAGB-UHFFFAOYSA-N -1 3 301.386 3.907 20 0 DHADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000903601074 980983070 /nfs/dbraw/zinc/98/30/70/980983070.db2.gz FDHHQTBRGDQMOQ-LKFCYVNXSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@H]1CC(=O)[O-] ZINC000903629591 981004856 /nfs/dbraw/zinc/00/48/56/981004856.db2.gz NDIJPGYLKWNHHW-TZMCWYRMSA-N -1 3 322.474 3.733 20 0 DHADHM CCOc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000903677397 981011971 /nfs/dbraw/zinc/01/19/71/981011971.db2.gz QZTMBHDLEBSZDW-LLVKDONJSA-N -1 3 305.399 3.696 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(F)(c3ccccc3)CC2)s1 ZINC000903685996 981013651 /nfs/dbraw/zinc/01/36/51/981013651.db2.gz BXYFRVDOVIURAX-UHFFFAOYSA-N -1 3 319.401 3.907 20 0 DHADHM O=C([O-])c1cccc2c1OCCN(CCCC1CCCCC1)C2 ZINC000905736953 981130888 /nfs/dbraw/zinc/13/08/88/981130888.db2.gz BROZHLCHVYEMRU-UHFFFAOYSA-N -1 3 317.429 3.940 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(CC3CCCCC3)CC2)nc1 ZINC000905775324 981149341 /nfs/dbraw/zinc/14/93/41/981149341.db2.gz NGXSKKAILNEGFJ-UHFFFAOYSA-N -1 3 316.445 3.962 20 0 DHADHM CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000442673466 1014713690 /nfs/dbraw/zinc/71/36/90/1014713690.db2.gz UNUNTZYLDWYOMD-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)/C=C/C(C)C)nc(=O)c2c1C ZINC000785042199 1014789547 /nfs/dbraw/zinc/78/95/47/1014789547.db2.gz KOUAPJFTABFOAM-FGEFZZPRSA-N -1 3 320.414 3.830 20 0 DHADHM CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C(=O)[O-])o2)C1(C)C ZINC001595771133 982518706 /nfs/dbraw/zinc/51/87/06/982518706.db2.gz VRLBHVGZMRGJQD-NILFDRSVSA-N -1 3 309.406 3.612 20 0 DHADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451742174 1014877232 /nfs/dbraw/zinc/87/72/32/1014877232.db2.gz AXAFIJFRTYGYEK-DYVFJYSZSA-N -1 3 313.372 3.684 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000443399617 1014903607 /nfs/dbraw/zinc/90/36/07/1014903607.db2.gz NNZHDUODXRMFJG-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001595960491 983152333 /nfs/dbraw/zinc/15/23/33/983152333.db2.gz GFCINSTUWCYTPE-UHFFFAOYSA-N -1 3 317.360 3.603 20 0 DHADHM C[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)[C@@H]1C ZINC000581494053 1014930942 /nfs/dbraw/zinc/93/09/42/1014930942.db2.gz TXFWENPFDFMNCQ-VXGBXAGGSA-N -1 3 311.809 3.537 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2CC2CC2)CC)n1 ZINC000656613341 1014944225 /nfs/dbraw/zinc/94/42/25/1014944225.db2.gz JBJDIZYPANAVOZ-UVTDQMKNSA-N -1 3 312.417 3.692 20 0 DHADHM CCN(C)c1ccccc1CN[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001596197633 983582287 /nfs/dbraw/zinc/58/22/87/983582287.db2.gz MUTYWNIHYJOEDH-GFCCVEGCSA-N -1 3 318.442 3.753 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1C ZINC000349879189 1015051705 /nfs/dbraw/zinc/05/17/05/1015051705.db2.gz JLXPINYYMCYNHW-VXGBXAGGSA-N -1 3 301.411 3.511 20 0 DHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OCc1ccccn1 ZINC000909517458 1015071752 /nfs/dbraw/zinc/07/17/52/1015071752.db2.gz IRMPWMQCKPTWGM-IBGZPJMESA-N -1 3 312.413 3.534 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000029046203 1015101061 /nfs/dbraw/zinc/10/10/61/1015101061.db2.gz LKFHHPNGDLSQCX-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000051770544 1015111297 /nfs/dbraw/zinc/11/12/97/1015111297.db2.gz XMXSEAXNEOHSST-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM Cc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3)co2)cc1 ZINC000025272854 1015148155 /nfs/dbraw/zinc/14/81/55/1015148155.db2.gz LZYUERHFYODFJJ-UHFFFAOYSA-N -1 3 309.321 3.713 20 0 DHADHM Cc1[nH]c(CN(Cc2ccc(F)cc2)C(C)C)cc1C(=O)[O-] ZINC001599961871 985799227 /nfs/dbraw/zinc/79/92/27/985799227.db2.gz KEYSJVJJPACWNM-UHFFFAOYSA-N -1 3 304.365 3.571 20 0 DHADHM O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000255364259 1015230357 /nfs/dbraw/zinc/23/03/57/1015230357.db2.gz HSHORXJKVVMYHM-YWEYNIOJSA-N -1 3 305.736 3.514 20 0 DHADHM CCOc1cccc(F)c1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597160087 986963866 /nfs/dbraw/zinc/96/38/66/986963866.db2.gz QPWQIPIQGAUSIV-CYBMUJFWSA-N -1 3 323.408 3.547 20 0 DHADHM CSCc1ccc(CNCc2ccsc2C(=O)[O-])cc1 ZINC001599802788 988204681 /nfs/dbraw/zinc/20/46/81/988204681.db2.gz SZRTXELOXVPKBW-UHFFFAOYSA-N -1 3 307.440 3.599 20 0 DHADHM CSc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC001599812783 988367465 /nfs/dbraw/zinc/36/74/65/988367465.db2.gz FUFDNBLNZPJCRS-UHFFFAOYSA-N -1 3 321.467 3.947 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC=C(c2ccccc2)C1 ZINC001597763248 989204923 /nfs/dbraw/zinc/20/49/23/989204923.db2.gz UFHGIWHFYFNKDJ-UHFFFAOYSA-N -1 3 311.381 3.830 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C[C@H]1CC ZINC001597767293 989218620 /nfs/dbraw/zinc/21/86/20/989218620.db2.gz IQBPDMULWPSERG-MRXNPFEDSA-N -1 3 313.397 3.877 20 0 DHADHM [O-]c1cccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000896224398 1015504451 /nfs/dbraw/zinc/50/44/51/1015504451.db2.gz GIKPKEHTODBJCO-LBPRGKRZSA-N -1 3 323.717 3.912 20 0 DHADHM CC(C)(C)OCCNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001590388705 989909677 /nfs/dbraw/zinc/90/96/77/989909677.db2.gz RUPZKYNVSHOHJS-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM CCc1cccc(C(=O)N2CC(c3cccc(Cl)c3)C2)c1[O-] ZINC000581930325 1015560923 /nfs/dbraw/zinc/56/09/23/1015560923.db2.gz UPDKMCKBQDERRO-UHFFFAOYSA-N -1 3 315.800 3.848 20 0 DHADHM CC(C)[C@@H]1c2ccccc2CCN1Cc1cncc(C(=O)[O-])c1 ZINC001591105436 991733018 /nfs/dbraw/zinc/73/30/18/991733018.db2.gz TUJXTGHHMZIFOA-GOSISDBHSA-N -1 3 310.397 3.535 20 0 DHADHM CC(C)C[N@H+](Cc1cc([O-])cc(Cl)c1)CC(C)(C)C(=O)[O-] ZINC001591342753 992321337 /nfs/dbraw/zinc/32/13/37/992321337.db2.gz IWEOEOHCVIZKHJ-UHFFFAOYSA-N -1 3 313.825 3.614 20 0 DHADHM CC(C)C[N@@H+](Cc1cc([O-])cc(Cl)c1)CC(C)(C)C(=O)[O-] ZINC001591342753 992321347 /nfs/dbraw/zinc/32/13/47/992321347.db2.gz IWEOEOHCVIZKHJ-UHFFFAOYSA-N -1 3 313.825 3.614 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cccnc1 ZINC001593195079 994144108 /nfs/dbraw/zinc/14/41/08/994144108.db2.gz PNEXKEQIYSJKFZ-HZMBPMFUSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)[C@H]1Oc2ccccc2[C@H]1C ZINC001593195819 994150086 /nfs/dbraw/zinc/15/00/86/994150086.db2.gz FZGAUEJWYLUMDY-DRAKQNMHSA-N -1 3 315.369 3.582 20 0 DHADHM C[C@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001593199429 994178854 /nfs/dbraw/zinc/17/88/54/994178854.db2.gz XPPCYTQTJKVDLZ-STQMWFEESA-N -1 3 317.360 3.701 20 0 DHADHM C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cc(C(=O)[O-])co1 ZINC001593219518 994300640 /nfs/dbraw/zinc/30/06/40/994300640.db2.gz LXJQIDXIKHXOAY-TUKIKUTGSA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ccc(C(=O)[O-])o1 ZINC001593220441 994310935 /nfs/dbraw/zinc/31/09/35/994310935.db2.gz SICOHOQBBMFIQQ-GLQYFDAESA-N -1 3 321.417 3.755 20 0 DHADHM C[C@@H](NC/C=C/c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593257781 994535901 /nfs/dbraw/zinc/53/59/01/994535901.db2.gz TVIVKVUFDHIAMT-JOZWUWCOSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@H](NCC/C=C\c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265149 994570300 /nfs/dbraw/zinc/57/03/00/994570300.db2.gz QGJRERWOZZERQB-LRAPTIAOSA-N -1 3 302.399 3.595 20 0 DHADHM COc1cccc([C@@H](C)NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001599657000 994597503 /nfs/dbraw/zinc/59/75/03/994597503.db2.gz KFGDELOMRQDFTM-GFCCVEGCSA-N -1 3 316.401 3.696 20 0 DHADHM COc1cccc([C@@H]2C[C@@H](C)CN2Cc2occc2C(=O)[O-])c1 ZINC001599668454 994769655 /nfs/dbraw/zinc/76/96/55/994769655.db2.gz YJPILOYWVBVZJO-WBMJQRKESA-N -1 3 315.369 3.570 20 0 DHADHM COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599674573 994875915 /nfs/dbraw/zinc/87/59/15/994875915.db2.gz SOCYSYFLFACGAJ-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM CC1(C)[C@H](c2ccccc2)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001593841603 996599711 /nfs/dbraw/zinc/59/97/11/996599711.db2.gz FAWLXQXRMDPYDS-ZDUSSCGKSA-N -1 3 316.426 3.609 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC001599499724 997091835 /nfs/dbraw/zinc/09/18/35/997091835.db2.gz AHORBWBQVXMCFQ-CQSZACIVSA-N -1 3 313.397 3.861 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccco2)C(C)C)c1 ZINC000667452796 1033692758 /nfs/dbraw/zinc/69/27/58/1033692758.db2.gz STNPBTKFEJJKFS-UHFFFAOYSA-N -1 3 305.399 3.758 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599510673 997292013 /nfs/dbraw/zinc/29/20/13/997292013.db2.gz SVESAGBFDUNWRP-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM CCO[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCCC2 ZINC000277320337 1016194958 /nfs/dbraw/zinc/19/49/58/1016194958.db2.gz CAWBDZSBLFRFJV-GJZGRUSLSA-N -1 3 323.820 3.513 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000277361429 1016243319 /nfs/dbraw/zinc/24/33/19/1016243319.db2.gz AQNWWYRBPHOLFO-NSHDSACASA-N -1 3 315.335 3.930 20 0 DHADHM C[C@@H]1CCC(C)(C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594295816 999138790 /nfs/dbraw/zinc/13/87/90/999138790.db2.gz IAWJASMGTCTNEQ-GFCCVEGCSA-N -1 3 314.385 3.803 20 0 DHADHM O=C([N-]c1cc(Cl)ccc1F)c1ncoc1[C@H]1CCCO1 ZINC000115006201 1016315403 /nfs/dbraw/zinc/31/54/03/1016315403.db2.gz RFGLNCOWLQGKIJ-LLVKDONJSA-N -1 3 310.712 3.571 20 0 DHADHM CCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000277447654 1016325991 /nfs/dbraw/zinc/32/59/91/1016325991.db2.gz UYJHBDRJJXXMQH-GOSISDBHSA-N -1 3 313.397 3.563 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000622449029 1016420088 /nfs/dbraw/zinc/42/00/88/1016420088.db2.gz AQPIHVCZOCBADU-CYBMUJFWSA-N -1 3 313.397 3.582 20 0 DHADHM Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000081681078 1016444732 /nfs/dbraw/zinc/44/47/32/1016444732.db2.gz ZFHLGGUHGLKLDF-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC12CCCCC2 ZINC000622514064 1016444832 /nfs/dbraw/zinc/44/48/32/1016444832.db2.gz JWFVXMQDOOILHM-CQSZACIVSA-N -1 3 319.420 3.893 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)(C)C)CC2)o1 ZINC001211541036 1016480834 /nfs/dbraw/zinc/48/08/34/1016480834.db2.gz LLQWKRWPDRBFCN-KBPBESRZSA-N -1 3 313.463 3.861 20 0 DHADHM Cc1oc(CN2CCC[C@@H]2/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000563282130 1016499120 /nfs/dbraw/zinc/49/91/20/1016499120.db2.gz FPDBXCRTYMKOHE-ZBTGYSDGSA-N -1 3 311.381 3.964 20 0 DHADHM CC(C)[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCS1 ZINC000563285049 1016511121 /nfs/dbraw/zinc/51/11/21/1016511121.db2.gz XHEVMWKWRXUZSK-CQSZACIVSA-N -1 3 313.850 3.612 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC000622751017 1016570407 /nfs/dbraw/zinc/57/04/07/1016570407.db2.gz WNNCBTPTHGQAMD-INIZCTEOSA-N -1 3 301.430 3.997 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000045061521 1016660506 /nfs/dbraw/zinc/66/05/06/1016660506.db2.gz QPYICEXSVDBYBK-STQMWFEESA-N -1 3 301.308 3.603 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000336864415 1016726880 /nfs/dbraw/zinc/72/68/80/1016726880.db2.gz NSHNCWCSIMTXKR-OAHLLOKOSA-N -1 3 314.385 3.561 20 0 DHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC000174874048 1016846042 /nfs/dbraw/zinc/84/60/42/1016846042.db2.gz CCRSMFMBNUPSIT-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176437005 1016963977 /nfs/dbraw/zinc/96/39/77/1016963977.db2.gz GRCVNTXQJJXIAI-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000176447125 1016966594 /nfs/dbraw/zinc/96/65/94/1016966594.db2.gz UQCMQMFADQNMCY-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM C[C@H]1CCCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238303827 1017062063 /nfs/dbraw/zinc/06/20/63/1017062063.db2.gz AREVVGDBHRRVQA-VIFPVBQESA-N -1 3 302.187 3.526 20 0 DHADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]2CCC[C@@H]21 ZINC000294882115 1032193262 /nfs/dbraw/zinc/19/32/62/1032193262.db2.gz UMWUQOVEBIVCPW-BBRMVZONSA-N -1 3 310.397 3.591 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000294919341 1032209164 /nfs/dbraw/zinc/20/91/64/1032209164.db2.gz CFGOGSUKBMFBMO-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001147456438 1032314226 /nfs/dbraw/zinc/31/42/26/1032314226.db2.gz QQBGCDBQGSIBGM-MRVPVSSYSA-N -1 3 316.382 3.703 20 0 DHADHM Cc1ccc2nc(C(=O)Nc3ccc(F)c([O-])c3)sc2c1 ZINC001147560552 1032321745 /nfs/dbraw/zinc/32/17/45/1032321745.db2.gz PANCOSNTFPHRRT-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM Cc1nc(C)c(CNC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001148205255 1032373308 /nfs/dbraw/zinc/37/33/08/1032373308.db2.gz HPYYXXCZHACPDL-UHFFFAOYSA-N -1 3 318.423 3.610 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2cccc(C)c2[O-])ccc1Cl ZINC000120677329 1032382916 /nfs/dbraw/zinc/38/29/16/1032382916.db2.gz QTPRTKSBJHIKRV-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM COc1cnc2c(cccc2NC(=O)c2ccc(C)cc2[O-])c1 ZINC001148500189 1032409388 /nfs/dbraw/zinc/40/93/88/1032409388.db2.gz KXQYHOWOFDWBFW-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC001148603427 1032417565 /nfs/dbraw/zinc/41/75/65/1032417565.db2.gz KEJKHQANHQGCSK-NSHDSACASA-N -1 3 307.440 3.575 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC001148810497 1032446329 /nfs/dbraw/zinc/44/63/29/1032446329.db2.gz FINFVCPXVHIMQF-UHFFFAOYSA-N -1 3 317.772 3.647 20 0 DHADHM Cc1oc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000579722719 1011971595 /nfs/dbraw/zinc/97/15/95/1011971595.db2.gz PKASCXAPVKKZMW-SFHVURJKSA-N -1 3 311.381 3.938 20 0 DHADHM O=[S@@](Cc1cc2ccccc2nc1Cl)c1ccc([O-])cc1 ZINC000083079574 1012018305 /nfs/dbraw/zinc/01/83/05/1012018305.db2.gz BHVOPYTZLHFDSA-OAQYLSRUSA-N -1 3 317.797 3.902 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000537656243 1032613307 /nfs/dbraw/zinc/61/33/07/1032613307.db2.gz CIVUSPNAUSGNSB-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM Cc1cccc(OCCOC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809363 1032617964 /nfs/dbraw/zinc/61/79/64/1032617964.db2.gz TVWCPWYKLNRWKV-UHFFFAOYSA-N -1 3 314.168 3.866 20 0 DHADHM O=[S@](Cc1ccc(Br)s1)c1ccc([O-])cc1 ZINC000108087020 1012382993 /nfs/dbraw/zinc/38/29/93/1012382993.db2.gz BIBBXTBESYIDTN-INIZCTEOSA-N -1 3 317.229 3.524 20 0 DHADHM Cn1cc(NCc2cc([O-])cc(F)c2)c(C2CCCCC2)n1 ZINC000515290583 1012597881 /nfs/dbraw/zinc/59/78/81/1012597881.db2.gz UPAHOCDHCDCHAF-UHFFFAOYSA-N -1 3 303.381 3.925 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1CC1CCCC1 ZINC000655366899 1012707373 /nfs/dbraw/zinc/70/73/73/1012707373.db2.gz KCVXOMBMGHVWEU-OAHLLOKOSA-N -1 3 324.424 3.713 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC2(CCCCC2)O1 ZINC000655380930 1012742025 /nfs/dbraw/zinc/74/20/25/1012742025.db2.gz LVIPHEFITYQJJL-GFCCVEGCSA-N -1 3 323.820 3.609 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(C)(C)C ZINC000517284436 1012954345 /nfs/dbraw/zinc/95/43/45/1012954345.db2.gz CQGQKXVYCFRJEY-LLVKDONJSA-N -1 3 307.818 3.582 20 0 DHADHM CCc1ccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)c([O-])c1 ZINC001167097231 1012983031 /nfs/dbraw/zinc/98/30/31/1012983031.db2.gz JPVQXKRRXOWZLE-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM [O-]c1c(F)cc(Nc2cccc(Br)n2)cc1F ZINC001213370310 1017131736 /nfs/dbraw/zinc/13/17/36/1017131736.db2.gz DISFVZWTTYMNND-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CNCc2ncccc2[O-])o1 ZINC000475340702 1017152614 /nfs/dbraw/zinc/15/26/14/1017152614.db2.gz XSAQBQHBFKPQNO-UHFFFAOYSA-N -1 3 312.344 3.785 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(F)c(F)c1F ZINC000179458959 1017254289 /nfs/dbraw/zinc/25/42/89/1017254289.db2.gz TZZKMWGYNTUUPO-UHFFFAOYSA-N -1 3 319.641 3.854 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@@H]1C(F)F ZINC000337612017 1017328174 /nfs/dbraw/zinc/32/81/74/1017328174.db2.gz ZCVXUNRDZSQJIJ-CQSZACIVSA-N -1 3 305.324 3.805 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c(C)c1 ZINC000614761625 1017400251 /nfs/dbraw/zinc/40/02/51/1017400251.db2.gz TTXLEEFLBFXAFC-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccccc1Cl ZINC000303509800 1017412899 /nfs/dbraw/zinc/41/28/99/1017412899.db2.gz NTRMONMVGXLGQN-UHFFFAOYSA-N -1 3 303.789 3.911 20 0 DHADHM CCOc1ccc(C[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000665791120 1017435740 /nfs/dbraw/zinc/43/57/40/1017435740.db2.gz BQKNRPMHTXRWBA-LBPRGKRZSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874693282 1032704134 /nfs/dbraw/zinc/70/41/34/1032704134.db2.gz XDIRPGINJHDCHX-UHFFFAOYSA-N -1 3 301.318 3.753 20 0 DHADHM O=C(NCCC1CC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000457176812 1017545946 /nfs/dbraw/zinc/54/59/46/1017545946.db2.gz FZXTUEWPIABTBP-UHFFFAOYSA-N -1 3 305.324 3.711 20 0 DHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523433975 1017694704 /nfs/dbraw/zinc/69/47/04/1017694704.db2.gz DSCTXAIFNKSQLI-ZFWWWQNUSA-N -1 3 308.397 3.689 20 0 DHADHM CCOC[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000458093748 1017721693 /nfs/dbraw/zinc/72/16/93/1017721693.db2.gz QKVQHYUIJNFWCV-MRXNPFEDSA-N -1 3 313.397 3.577 20 0 DHADHM [O-]c1c(F)cc(Nc2ncccc2OC(F)(F)F)cc1F ZINC001213375052 1017742016 /nfs/dbraw/zinc/74/20/16/1017742016.db2.gz NJRISWNLEQYVEL-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000524488018 1018007513 /nfs/dbraw/zinc/00/75/13/1018007513.db2.gz UREYSSRWTLAKBJ-UHFFFAOYSA-N -1 3 309.409 3.974 20 0 DHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1c(Cl)cccc1Cl)C2 ZINC000701480480 1018063589 /nfs/dbraw/zinc/06/35/89/1018063589.db2.gz QBMVGIFWRMUKBS-MEBBXXQBSA-N -1 3 314.212 3.680 20 0 DHADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CCCC1 ZINC000674745013 1018120117 /nfs/dbraw/zinc/12/01/17/1018120117.db2.gz QFFRCWGBCMKCRO-VIFPVBQESA-N -1 3 312.207 3.920 20 0 DHADHM Cc1noc(C(C)C)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000928786171 1018165896 /nfs/dbraw/zinc/16/58/96/1018165896.db2.gz AEJHJTLHCQCNPG-UHFFFAOYSA-N -1 3 320.364 3.913 20 0 DHADHM Cc1cc(C)cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154967205 1018228136 /nfs/dbraw/zinc/22/81/36/1018228136.db2.gz KMXGCSOUSBMILI-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM Cn1ncc2ccc(-c3nc4ccc(Cl)cc4c(=O)[n-]3)cc21 ZINC000446996896 1018312153 /nfs/dbraw/zinc/31/21/53/1018312153.db2.gz PBAFJPNVFKNKHV-UHFFFAOYSA-N -1 3 310.744 3.543 20 0 DHADHM C[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)CCC1=O ZINC001142106048 1018320618 /nfs/dbraw/zinc/32/06/18/1018320618.db2.gz XKZQKTPWLWIIDD-SECBINFHSA-N -1 3 302.201 3.500 20 0 DHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000527112162 1018516759 /nfs/dbraw/zinc/51/67/59/1018516759.db2.gz UYHJQGCAMYRAGP-KRWDZBQOSA-N -1 3 320.396 3.619 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730851 1018661155 /nfs/dbraw/zinc/66/11/55/1018661155.db2.gz DVMOGYKTIHLQTM-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070730851 1018661162 /nfs/dbraw/zinc/66/11/62/1018661162.db2.gz DVMOGYKTIHLQTM-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM CSc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC000354391605 1018779077 /nfs/dbraw/zinc/77/90/77/1018779077.db2.gz GMRVJMWRTIEXCK-UHFFFAOYSA-N -1 3 310.378 3.915 20 0 DHADHM O=C(NCCCc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000471583410 1018881654 /nfs/dbraw/zinc/88/16/54/1018881654.db2.gz ZIYOBGXXYVRDFX-UHFFFAOYSA-N -1 3 305.377 3.908 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2ccc(F)cc2)c1[O-] ZINC000584044332 1018897335 /nfs/dbraw/zinc/89/73/35/1018897335.db2.gz SKFGQICDIDKGEH-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC000102258585 1018936292 /nfs/dbraw/zinc/93/62/92/1018936292.db2.gz STIMMWMQQSZHTH-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CCCc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000021634981 1018959022 /nfs/dbraw/zinc/95/90/22/1018959022.db2.gz FWASMFGCRWLQAA-UHFFFAOYSA-N -1 3 319.361 3.937 20 0 DHADHM O=C([O-])c1occc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000584118578 1018960241 /nfs/dbraw/zinc/96/02/41/1018960241.db2.gz BNYRJTYLHLOEBU-LLVKDONJSA-N -1 3 317.307 3.532 20 0 DHADHM C[C@H](c1nc2ccccc2s1)N(C)CCCCCC(=O)[O-] ZINC000584118903 1018968828 /nfs/dbraw/zinc/96/88/28/1018968828.db2.gz PMDUFZBSWQDZFX-GFCCVEGCSA-N -1 3 306.431 3.934 20 0 DHADHM C[C@]1(NCc2cccc([O-])c2Cl)CCOc2ccccc21 ZINC000923026395 1018989422 /nfs/dbraw/zinc/98/94/22/1018989422.db2.gz UZLFYXMWWWYEBJ-KRWDZBQOSA-N -1 3 303.789 3.833 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1 ZINC000007053148 1019001851 /nfs/dbraw/zinc/00/18/51/1019001851.db2.gz ATKXGHYXIMIIBR-UHFFFAOYSA-N -1 3 315.438 3.983 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000765650070 1019023194 /nfs/dbraw/zinc/02/31/94/1019023194.db2.gz ZTXZBKDHHCMISY-ZYHUDNBSSA-N -1 3 323.314 3.950 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC=C(C(F)(F)F)CC1 ZINC000355254932 1019098062 /nfs/dbraw/zinc/09/80/62/1019098062.db2.gz KRLSTIHQTUNGAJ-UHFFFAOYSA-N -1 3 321.298 3.880 20 0 DHADHM C[C@@H](C1CC1)n1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000355947026 1019147253 /nfs/dbraw/zinc/14/72/53/1019147253.db2.gz UZVWUCHDORKQSR-LBPRGKRZSA-N -1 3 321.380 3.965 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000626008239 1019220346 /nfs/dbraw/zinc/22/03/46/1019220346.db2.gz QIOKCPSZVKZCMP-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000031722673 1019226804 /nfs/dbraw/zinc/22/68/04/1019226804.db2.gz LNEWFKCBULWVNU-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CSc1nsc([N-]C(=O)c2cc3cc(C)ccc3o2)n1 ZINC000041309430 1019269604 /nfs/dbraw/zinc/26/96/04/1019269604.db2.gz ZXQPFGMOWHMVKM-UHFFFAOYSA-N -1 3 305.384 3.567 20 0 DHADHM O=C([O-])C[C@H](c1ccccc1)C1CCN(Cc2ccccn2)CC1 ZINC000738563757 1019305154 /nfs/dbraw/zinc/30/51/54/1019305154.db2.gz ZAIFMSHKIDDFAF-LJQANCHMSA-N -1 3 324.424 3.552 20 0 DHADHM CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc21 ZINC000472096602 1019320343 /nfs/dbraw/zinc/32/03/43/1019320343.db2.gz UGSTUSHXWHDUMQ-UHFFFAOYSA-N -1 3 318.376 3.642 20 0 DHADHM CSc1cc(Nc2cnc(C)[n-]c2=O)cc(C(F)(F)F)c1 ZINC001214500619 1019358322 /nfs/dbraw/zinc/35/83/22/1019358322.db2.gz ADPVPFWOVWAGBQ-UHFFFAOYSA-N -1 3 315.320 3.975 20 0 DHADHM Cn1nc(-c2ccccc2)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212478156 1019396170 /nfs/dbraw/zinc/39/61/70/1019396170.db2.gz XXCVUMFQBXYQIY-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM COC(=O)c1c(C)c(C)sc1Nc1cc(F)cc(F)c1[O-] ZINC001212478102 1019397297 /nfs/dbraw/zinc/39/72/97/1019397297.db2.gz UTBUIOMFAOFFGG-UHFFFAOYSA-N -1 3 313.325 3.879 20 0 DHADHM Cc1ccc(-c2nsc([N-]C(=O)c3occc3C)n2)s1 ZINC000066413155 1019542407 /nfs/dbraw/zinc/54/24/07/1019542407.db2.gz AJHYDAGMMONRFP-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000281849506 1019667507 /nfs/dbraw/zinc/66/75/07/1019667507.db2.gz QADNYHGUOYRMEK-NSHDSACASA-N -1 3 305.324 3.711 20 0 DHADHM CO[C@@]1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279818703 1019682978 /nfs/dbraw/zinc/68/29/78/1019682978.db2.gz AFTZJCSVJWWHLZ-IBGZPJMESA-N -1 3 313.397 3.577 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000060471214 1019697673 /nfs/dbraw/zinc/69/76/73/1019697673.db2.gz PASMATCACFXYBA-UHFFFAOYSA-N -1 3 308.381 3.927 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1coc(Br)c1 ZINC000067145385 1019699234 /nfs/dbraw/zinc/69/92/34/1019699234.db2.gz VRRRKDNBVNQNRY-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(C(F)(F)F)CC1 ZINC000280184923 1019703792 /nfs/dbraw/zinc/70/37/92/1019703792.db2.gz DBCKRKAAKWDULO-UHFFFAOYSA-N -1 3 323.314 3.960 20 0 DHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000525926137 1019728111 /nfs/dbraw/zinc/72/81/11/1019728111.db2.gz BCRUJPYQPHVNBP-ZDUSSCGKSA-N -1 3 305.324 3.853 20 0 DHADHM CN(C)c1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527453848 1019751353 /nfs/dbraw/zinc/75/13/53/1019751353.db2.gz CYIPDSGWUDTOAF-UHFFFAOYSA-N -1 3 320.392 3.541 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527476342 1019753694 /nfs/dbraw/zinc/75/36/94/1019753694.db2.gz MLCAATCLEKNTRL-YGRLFVJLSA-N -1 3 323.314 3.958 20 0 DHADHM CC(C)c1ccc(C(=O)NCCCOC2CCCC2)c([O-])c1 ZINC000061634152 1019754877 /nfs/dbraw/zinc/75/48/77/1019754877.db2.gz XFTJXFALFGXVBB-UHFFFAOYSA-N -1 3 305.418 3.595 20 0 DHADHM COc1ccc2oc([C@@H](C)NCc3ncccc3[O-])c(C)c2c1 ZINC000685423402 1019811571 /nfs/dbraw/zinc/81/15/71/1019811571.db2.gz SEOSFRXYFCZLSJ-GFCCVEGCSA-N -1 3 312.369 3.701 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc2cccc(C)c2o1 ZINC001127991753 1019822048 /nfs/dbraw/zinc/82/20/48/1019822048.db2.gz FXCDQEPNVPZGRX-UHFFFAOYSA-N -1 3 322.267 3.891 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1O ZINC000352141620 1019825444 /nfs/dbraw/zinc/82/54/44/1019825444.db2.gz SMPMZOKLYMDBCT-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM Cc1ncsc1CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000066650366 1019955495 /nfs/dbraw/zinc/95/54/95/1019955495.db2.gz PMRKAYFISRLQTQ-UHFFFAOYSA-N -1 3 304.415 3.553 20 0 DHADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068831979 1020039025 /nfs/dbraw/zinc/03/90/25/1020039025.db2.gz QXHIVXFJYDNKAX-HIFRSBDPSA-N -1 3 312.413 3.617 20 0 DHADHM CC[C@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768501 1020143541 /nfs/dbraw/zinc/14/35/41/1020143541.db2.gz NJVRXWUCAPWYIM-VIFPVBQESA-N -1 3 323.190 3.795 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000111210884 1020144043 /nfs/dbraw/zinc/14/40/43/1020144043.db2.gz YXFLCFSGLXNIPA-OLZOCXBDSA-N -1 3 305.736 3.927 20 0 DHADHM Cc1ccc(C)n1C1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000624939404 1020183711 /nfs/dbraw/zinc/18/37/11/1020183711.db2.gz USIKYNRJZBZSIM-UHFFFAOYSA-N -1 3 312.413 3.596 20 0 DHADHM O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc([O-])c(F)c1 ZINC000255660474 1020213731 /nfs/dbraw/zinc/21/37/31/1020213731.db2.gz JLNGQXZRIUWKLL-QPEQYQDCSA-N -1 3 317.703 3.529 20 0 DHADHM C[C@@H]1Cc2cc(CNCc3cccc([O-])c3Cl)ccc2O1 ZINC000922702117 1020228103 /nfs/dbraw/zinc/22/81/03/1020228103.db2.gz UMHQALCZUYTUNX-LLVKDONJSA-N -1 3 303.789 3.659 20 0 DHADHM [O-]c1ccc(CNCc2cscc2Br)cc1F ZINC000352758567 1020318818 /nfs/dbraw/zinc/31/88/18/1020318818.db2.gz ZNRWHLSYABMERU-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccn1 ZINC000685711166 1020358202 /nfs/dbraw/zinc/35/82/02/1020358202.db2.gz ITGNYNJCSZQMPY-OAHLLOKOSA-N -1 3 304.777 3.712 20 0 DHADHM CO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000198940367 1020359210 /nfs/dbraw/zinc/35/92/10/1020359210.db2.gz PIKCGRNNQDMZCH-UHFFFAOYSA-N -1 3 312.344 3.584 20 0 DHADHM CCOc1ccccc1[C@H](CC)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192726623 1020374357 /nfs/dbraw/zinc/37/43/57/1020374357.db2.gz XLHKEXBNPJBDHX-HIFRSBDPSA-N -1 3 315.417 3.691 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000625149692 1020389072 /nfs/dbraw/zinc/38/90/72/1020389072.db2.gz DADFBDGNZASPIG-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c(C)cccc1[O-])CCC2 ZINC000625487490 1020546482 /nfs/dbraw/zinc/54/64/82/1020546482.db2.gz XGQYZFKABXLBRV-CYBMUJFWSA-N -1 3 316.426 3.615 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000625484599 1020546930 /nfs/dbraw/zinc/54/69/30/1020546930.db2.gz HNLIPAWMIPGIPX-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM CC(C)[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132880935 1020579831 /nfs/dbraw/zinc/57/98/31/1020579831.db2.gz AEPLOJMJUQRMIM-MRXNPFEDSA-N -1 3 315.388 3.977 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000132924414 1020584118 /nfs/dbraw/zinc/58/41/18/1020584118.db2.gz CFBKOXQTDNOQKQ-OLZOCXBDSA-N -1 3 319.763 3.605 20 0 DHADHM Cc1cc2[nH]c(C(=O)NCc3ccc([O-])c(F)c3)cc2c(C)c1 ZINC000133070459 1020597515 /nfs/dbraw/zinc/59/75/15/1020597515.db2.gz ARDRMFWILHJBAP-UHFFFAOYSA-N -1 3 312.344 3.559 20 0 DHADHM Cc1nc(CN[C@H](C)[C@@H](C)C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000570169556 1020644523 /nfs/dbraw/zinc/64/45/23/1020644523.db2.gz ZRVGWUXRUHZMAQ-NXEZZACHSA-N -1 3 322.792 3.502 20 0 DHADHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC001213975189 1032924517 /nfs/dbraw/zinc/92/45/17/1032924517.db2.gz WTVXPNZCGGVPBO-UHFFFAOYSA-N -1 3 317.732 3.562 20 0 DHADHM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000735083878 1020689753 /nfs/dbraw/zinc/68/97/53/1020689753.db2.gz XJVKENVSMAMKEW-RKDXNWHRSA-N -1 3 307.868 3.505 20 0 DHADHM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000735083646 1020690092 /nfs/dbraw/zinc/69/00/92/1020690092.db2.gz WMBKLANGDHYHKB-MSRIBSCDSA-N -1 3 319.829 3.582 20 0 DHADHM [O-]c1coc2cc(OCc3ccc(C(F)(F)F)cc3)ccc12 ZINC000316693006 1020698310 /nfs/dbraw/zinc/69/83/10/1020698310.db2.gz OOQSYWUYVFYQIL-UHFFFAOYSA-N -1 3 308.255 3.860 20 0 DHADHM CCCCc1nc(CO[N-]C(=O)Cc2ccc(C)cc2)cs1 ZINC000177577809 1020717363 /nfs/dbraw/zinc/71/73/63/1020717363.db2.gz CMXPFLGGDKSUHS-UHFFFAOYSA-N -1 3 318.442 3.585 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cc(C)nc3ccccc23)cc1 ZINC000177582056 1020719338 /nfs/dbraw/zinc/71/93/38/1020719338.db2.gz SZQGEMYIKJGJTP-UHFFFAOYSA-N -1 3 320.392 3.642 20 0 DHADHM Cc1ccc(C)c(NC(=S)NCc2ccc([O-])c(F)c2)c1 ZINC000737459776 1021085994 /nfs/dbraw/zinc/08/59/94/1021085994.db2.gz ICENMXIMXDOCGP-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM Cc1ccc(NC(=S)NCc2ccc([O-])c(F)c2)cc1C ZINC000737459685 1021086130 /nfs/dbraw/zinc/08/61/30/1021086130.db2.gz FGFVMZAFUZPDAO-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM [O-]c1ccc(CNC(=S)Nc2ccccc2Cl)cc1F ZINC000737461506 1021101005 /nfs/dbraw/zinc/10/10/05/1021101005.db2.gz NDXHXCQWRNUOIZ-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM COCC1([N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000685918788 1021129381 /nfs/dbraw/zinc/12/93/81/1021129381.db2.gz YDWYINWHDAPBSO-UHFFFAOYSA-N -1 3 314.172 3.634 20 0 DHADHM CC(C)Oc1cccc(/C=C/C(=O)Nc2cccc([O-])c2F)c1 ZINC000128170880 1021198570 /nfs/dbraw/zinc/19/85/70/1021198570.db2.gz GDXYYZKFQPDIQM-MDZDMXLPSA-N -1 3 315.344 3.970 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000128348213 1021224847 /nfs/dbraw/zinc/22/48/47/1021224847.db2.gz YABHYVYVFIZMQY-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CCCC[C@H](CCC)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000177296177 1021241986 /nfs/dbraw/zinc/24/19/86/1021241986.db2.gz BNHVIFFZYMNERJ-AWEZNQCLSA-N -1 3 314.429 3.864 20 0 DHADHM COc1cc(CNC(=O)Nc2ccc(C)cc2)cc(Cl)c1[O-] ZINC001202437835 1021255010 /nfs/dbraw/zinc/25/50/10/1021255010.db2.gz HNYHZYXNFNWMSZ-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)CC(F)(F)F ZINC000412673218 1021334577 /nfs/dbraw/zinc/33/45/77/1021334577.db2.gz JILGOCNZVFKYKF-SNVBAGLBSA-N -1 3 311.303 3.864 20 0 DHADHM CC(C)Cc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128734178 1021335257 /nfs/dbraw/zinc/33/52/57/1021335257.db2.gz HMXFVHRFWLFYJT-UHFFFAOYSA-N -1 3 301.361 3.911 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000650961571 1021368957 /nfs/dbraw/zinc/36/89/57/1021368957.db2.gz PKLUGMOZFSNKAC-WDSOQIARSA-N -1 3 323.392 3.527 20 0 DHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000128891774 1021369617 /nfs/dbraw/zinc/36/96/17/1021369617.db2.gz BOUFCWTVLUIVRH-CYBMUJFWSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1csc(SCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000007195394 1021380317 /nfs/dbraw/zinc/38/03/17/1021380317.db2.gz JIFMZOLBQPJARM-UHFFFAOYSA-N -1 3 319.407 3.864 20 0 DHADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OCc1ccccc1 ZINC000008096665 1021399946 /nfs/dbraw/zinc/39/99/46/1021399946.db2.gz YMEKIXQISNMYDI-UHFFFAOYSA-N -1 3 310.180 3.784 20 0 DHADHM CCCOc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129166675 1021444715 /nfs/dbraw/zinc/44/47/15/1021444715.db2.gz IEMVUCBDXSUOOW-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCCc1ccsc1 ZINC000782948657 1021474696 /nfs/dbraw/zinc/47/46/96/1021474696.db2.gz SMFFEHMGRBSFEN-UHFFFAOYSA-N -1 3 303.427 3.751 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000129455112 1021488121 /nfs/dbraw/zinc/48/81/21/1021488121.db2.gz GWTOORCXZJQDOK-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000556064810 1021511676 /nfs/dbraw/zinc/51/16/76/1021511676.db2.gz NKZSLMHFJKFRIQ-HWPZZCPQSA-N -1 3 301.773 3.709 20 0 DHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129591347 1021517983 /nfs/dbraw/zinc/51/79/83/1021517983.db2.gz WNANZKGCIHQEBG-LBPRGKRZSA-N -1 3 303.333 3.575 20 0 DHADHM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)cc1 ZINC000744475604 1021555768 /nfs/dbraw/zinc/55/57/68/1021555768.db2.gz PYOCWSZNRQPYKY-CYBMUJFWSA-N -1 3 312.365 3.944 20 0 DHADHM C[C@H](CC(C)(C)C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784788160 1021612798 /nfs/dbraw/zinc/61/27/98/1021612798.db2.gz PWIFIWXYHUQTPQ-LLVKDONJSA-N -1 3 318.373 3.558 20 0 DHADHM CCC/C=C\C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000919241076 1021744117 /nfs/dbraw/zinc/74/41/17/1021744117.db2.gz NPBZKTIJAMHGIW-DMEOUFDRSA-N -1 3 320.414 3.974 20 0 DHADHM O=C(CCc1cccc(C(F)(F)F)c1)[N-]OCc1ccccc1 ZINC000766335523 1021789302 /nfs/dbraw/zinc/78/93/02/1021789302.db2.gz AWANPWDXALYHQA-UHFFFAOYSA-N -1 3 323.314 3.886 20 0 DHADHM C[C@H](CCNC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccccc1 ZINC000041673954 1021857598 /nfs/dbraw/zinc/85/75/98/1021857598.db2.gz PYRRHOHQXBLVMV-COYFKBPASA-N -1 3 320.392 3.609 20 0 DHADHM [O-]c1ccc(F)c(CNC2CC(OCc3ccccc3)C2)c1F ZINC000556839393 1021885672 /nfs/dbraw/zinc/88/56/72/1021885672.db2.gz QOOPKTQMOBEFHA-UHFFFAOYSA-N -1 3 319.351 3.508 20 0 DHADHM CCc1cccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1[O-] ZINC000556834038 1021887822 /nfs/dbraw/zinc/88/78/22/1021887822.db2.gz LZOUIUXJASRFPC-UHFFFAOYSA-N -1 3 315.800 3.848 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(SC)c2C)c1 ZINC000538267217 1033018460 /nfs/dbraw/zinc/01/84/60/1033018460.db2.gz BFXDRNIBHFAWKJ-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM CC/C=C(\C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000920505856 1022133975 /nfs/dbraw/zinc/13/39/75/1022133975.db2.gz FTLXFGRABIWHDG-JARNTUPDSA-N -1 3 320.414 3.974 20 0 DHADHM COc1c(Cl)ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC001212582422 1022180349 /nfs/dbraw/zinc/18/03/49/1022180349.db2.gz OZQRFVQRCRQVRV-UHFFFAOYSA-N -1 3 309.728 3.604 20 0 DHADHM O=C([N-][C@H]1CCc2cc(F)ccc21)C(F)(F)c1ccc(F)cc1 ZINC000920846059 1022184154 /nfs/dbraw/zinc/18/41/54/1022184154.db2.gz XYOFXSDYPJSSDP-HNNXBMFYSA-N -1 3 323.289 3.860 20 0 DHADHM C[C@H]1CCCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001267743755 1022184807 /nfs/dbraw/zinc/18/48/07/1022184807.db2.gz VRXFSKQKSHGJSO-CABZTGNLSA-N -1 3 303.299 3.717 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCc2ccccn2)n1 ZINC000339116346 1022185801 /nfs/dbraw/zinc/18/58/01/1022185801.db2.gz LLXMETYBWXNFSV-KTKRTIGZSA-N -1 3 319.364 3.635 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1OC(F)F ZINC000153652854 1022233859 /nfs/dbraw/zinc/23/38/59/1022233859.db2.gz VMARPZZXGXMZBD-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000416305755 1022244549 /nfs/dbraw/zinc/24/45/49/1022244549.db2.gz JCXMFNBPQDVCDN-LSDHHAIUSA-N -1 3 305.418 3.688 20 0 DHADHM CC(C)c1ccc(OCCC(=O)[N-]OCc2ccccc2)cc1 ZINC000921304124 1022249653 /nfs/dbraw/zinc/24/96/53/1022249653.db2.gz HSGHWELTMIGWIB-UHFFFAOYSA-N -1 3 313.397 3.827 20 0 DHADHM CCNC(=O)c1ccccc1Nc1c(Cl)ccc([O-])c1F ZINC001214561503 1022264685 /nfs/dbraw/zinc/26/46/85/1022264685.db2.gz POIYBEBCHNTSCZ-UHFFFAOYSA-N -1 3 308.740 3.678 20 0 DHADHM Cc1nc(Nc2ccc(Cl)c([O-])c2)cnc1Br ZINC001212587993 1022332398 /nfs/dbraw/zinc/33/23/98/1022332398.db2.gz DJIIZRROSUFFFZ-UHFFFAOYSA-N -1 3 314.570 3.650 20 0 DHADHM CCc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)c([O-])c1 ZINC001169279161 1022332471 /nfs/dbraw/zinc/33/24/71/1022332471.db2.gz GEJBRMWKKALSJA-UHFFFAOYSA-N -1 3 315.335 3.807 20 0 DHADHM Cc1ccc(N[C@H]2C[C@@H](C)c3ccccc32)cc1-c1nnn[n-]1 ZINC001169372315 1022370583 /nfs/dbraw/zinc/37/05/83/1022370583.db2.gz DWZBNBCENRDKHH-PXAZEXFGSA-N -1 3 305.385 3.836 20 0 DHADHM Cc1ccc(N[C@H]2C[C@@H](C)c3ccccc32)cc1-c1nn[n-]n1 ZINC001169372315 1022370598 /nfs/dbraw/zinc/37/05/98/1022370598.db2.gz DWZBNBCENRDKHH-PXAZEXFGSA-N -1 3 305.385 3.836 20 0 DHADHM C[C@@H]1C[C@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001169376907 1022375744 /nfs/dbraw/zinc/37/57/44/1022375744.db2.gz VCCSDAVLVYUDDN-HWPZZCPQSA-N -1 3 309.348 3.666 20 0 DHADHM C[C@@H]1C[C@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001169376907 1022375763 /nfs/dbraw/zinc/37/57/63/1022375763.db2.gz VCCSDAVLVYUDDN-HWPZZCPQSA-N -1 3 309.348 3.666 20 0 DHADHM COC(=O)CCCSc1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000854190236 1022426366 /nfs/dbraw/zinc/42/63/66/1022426366.db2.gz YYSVAZIQXPXMQR-UHFFFAOYSA-N -1 3 321.373 3.639 20 0 DHADHM [O-]c1cc(Nc2ccc3nc(C4CC4)nn3c2)ccc1Cl ZINC001212591445 1022452854 /nfs/dbraw/zinc/45/28/54/1022452854.db2.gz NBVWTYUUKJKTMM-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000615391215 1022464087 /nfs/dbraw/zinc/46/40/87/1022464087.db2.gz VHQUXGPFEKRIEG-KGLIPLIRSA-N -1 3 305.443 3.765 20 0 DHADHM [O-]c1cccnc1CNc1cccc2ncc(C(F)(F)F)cc21 ZINC001169732601 1022525582 /nfs/dbraw/zinc/52/55/82/1022525582.db2.gz MNCAACFGMZLBRU-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM [O-]c1cccnc1CNc1cc(Cl)nc2c(F)cc(F)cc12 ZINC001169731992 1022526465 /nfs/dbraw/zinc/52/64/65/1022526465.db2.gz VTECKZYBNSZDEE-UHFFFAOYSA-N -1 3 321.714 3.879 20 0 DHADHM [O-]c1cc(Nc2ccc(-c3cc(CO)on3)cc2)ccc1Cl ZINC001212595319 1022549058 /nfs/dbraw/zinc/54/90/58/1022549058.db2.gz NUDDZTWZXPRQFO-UHFFFAOYSA-N -1 3 316.744 3.937 20 0 DHADHM [O-]c1cc(Nc2cccc(F)c2OC2COC2)ccc1Cl ZINC001212595313 1022549084 /nfs/dbraw/zinc/54/90/84/1022549084.db2.gz NMKIVUUWXZSLCM-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM COC(=O)/C=C/c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595422 1022549575 /nfs/dbraw/zinc/54/95/75/1022549575.db2.gz SREAISIUNFTQGR-VMPITWQZSA-N -1 3 303.745 3.975 20 0 DHADHM [O-]c1cc(Nc2cc(F)ccc2OC2COC2)ccc1Cl ZINC001212595462 1022551764 /nfs/dbraw/zinc/55/17/64/1022551764.db2.gz VJZORMPQWJAEPM-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM O=C1c2cc(Nc3ccc(Cl)c([O-])c3)ccc2CN1C1CC1 ZINC001212595532 1022560706 /nfs/dbraw/zinc/56/07/06/1022560706.db2.gz YDEJVRIDHMTCGT-UHFFFAOYSA-N -1 3 314.772 3.907 20 0 DHADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc3sccc3c([O-])c2)n[nH]1 ZINC000855002224 1022560791 /nfs/dbraw/zinc/56/07/91/1022560791.db2.gz QJWNTKSIHHYRAX-LDYMZIIASA-N -1 3 313.382 3.706 20 0 DHADHM O=C1CCOc2c(Nc3ccc(Cl)c([O-])c3)ccc(F)c21 ZINC001212595540 1022561248 /nfs/dbraw/zinc/56/12/48/1022561248.db2.gz YPEXHRGUZROPPN-UHFFFAOYSA-N -1 3 307.708 3.894 20 0 DHADHM CCC(F)(F)C(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000855034151 1022569448 /nfs/dbraw/zinc/56/94/48/1022569448.db2.gz UDWCLKQWAKLNDU-UHFFFAOYSA-N -1 3 307.262 3.856 20 0 DHADHM O=C([O-])CCCCCCCNCc1c(F)cccc1Cl ZINC000277434811 1022668407 /nfs/dbraw/zinc/66/84/07/1022668407.db2.gz UEDNINYBFWVWPU-UHFFFAOYSA-N -1 3 301.789 3.994 20 0 DHADHM CCN(C(=O)c1cccc2n[n-]nc21)c1ccc2ccccc2c1 ZINC000187619939 1022689340 /nfs/dbraw/zinc/68/93/40/1022689340.db2.gz HJQFWQNIRGCUQH-UHFFFAOYSA-N -1 3 316.364 3.778 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ncc(C(C)(C)C)s1 ZINC000417539630 1022777529 /nfs/dbraw/zinc/77/75/29/1022777529.db2.gz VVDHSWPXCJBYII-RYUDHWBXSA-N -1 3 312.479 3.810 20 0 DHADHM CC(=O)[N-]O[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000180806152 1022839637 /nfs/dbraw/zinc/83/96/37/1022839637.db2.gz NQVAFSBPJHAFRB-ZETCQYMHSA-N -1 3 315.156 3.777 20 0 DHADHM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000617178334 1022869561 /nfs/dbraw/zinc/86/95/61/1022869561.db2.gz HRHWSLGGONMEEW-INIZCTEOSA-N -1 3 311.381 3.692 20 0 DHADHM COc1cccc(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c1[O-] ZINC000621804419 1022887856 /nfs/dbraw/zinc/88/78/56/1022887856.db2.gz HNDHNSAANNDBRT-ZFWWWQNUSA-N -1 3 322.364 3.797 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000621881464 1022919873 /nfs/dbraw/zinc/91/98/73/1022919873.db2.gz MSKDZZNYQSWNGM-NXEZZACHSA-N -1 3 301.308 3.672 20 0 DHADHM CC(C)Oc1ccc(F)c(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001212308109 1022961751 /nfs/dbraw/zinc/96/17/51/1022961751.db2.gz IFSUWLRZZHLOLO-UHFFFAOYSA-N -1 3 303.337 3.730 20 0 DHADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1Cl ZINC000857429365 1023005544 /nfs/dbraw/zinc/00/55/44/1023005544.db2.gz ZJXRPMIWZXYRPL-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1Cl ZINC000857429365 1023005555 /nfs/dbraw/zinc/00/55/55/1023005555.db2.gz ZJXRPMIWZXYRPL-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000857493099 1023021633 /nfs/dbraw/zinc/02/16/33/1023021633.db2.gz ROVWYYBIDBOMHW-UHFFFAOYSA-N -1 3 311.809 3.880 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)cc1 ZINC001212653013 1033102342 /nfs/dbraw/zinc/10/23/42/1033102342.db2.gz SRXBKTAKQAXQHJ-UHFFFAOYSA-N -1 3 323.278 3.664 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)cc1 ZINC001212653013 1033102345 /nfs/dbraw/zinc/10/23/45/1033102345.db2.gz SRXBKTAKQAXQHJ-UHFFFAOYSA-N -1 3 323.278 3.664 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000622281565 1023096866 /nfs/dbraw/zinc/09/68/66/1023096866.db2.gz JQOPMINZAKIPBP-NSHDSACASA-N -1 3 323.314 3.945 20 0 DHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622298450 1023104741 /nfs/dbraw/zinc/10/47/41/1023104741.db2.gz JCRVGPKHJBPFOS-NSHDSACASA-N -1 3 321.779 3.947 20 0 DHADHM CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000622324211 1023108094 /nfs/dbraw/zinc/10/80/94/1023108094.db2.gz HMXFXPSLLCIANQ-UHFFFAOYSA-N -1 3 301.308 3.864 20 0 DHADHM O=C([N-]CCCS[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000769341616 1023128679 /nfs/dbraw/zinc/12/86/79/1023128679.db2.gz ZXIVRRYSKXQWDJ-CYBMUJFWSA-N -1 3 317.376 3.866 20 0 DHADHM CC[C@H](SCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000769516208 1023172307 /nfs/dbraw/zinc/17/23/07/1023172307.db2.gz MXFFEBVFUMEEAO-LBPRGKRZSA-N -1 3 305.365 3.940 20 0 DHADHM Cc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1C ZINC000769522056 1023174453 /nfs/dbraw/zinc/17/44/53/1023174453.db2.gz MSWUPPKOKKZJQM-UHFFFAOYSA-N -1 3 305.365 3.605 20 0 DHADHM O=C([N-][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C(F)F ZINC000194745084 1023188566 /nfs/dbraw/zinc/18/85/66/1023188566.db2.gz TULKIJVEFSHZSK-ZDUSSCGKSA-N -1 3 313.706 3.950 20 0 DHADHM CCCC(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000651540072 1023278113 /nfs/dbraw/zinc/27/81/13/1023278113.db2.gz VQXULKSVEDJZKC-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM CC(C)Oc1cc(COC(=O)c2cccc(Cl)c2[O-])ccn1 ZINC001129392600 1023376217 /nfs/dbraw/zinc/37/62/17/1023376217.db2.gz PYQDFXYJUHYXQN-UHFFFAOYSA-N -1 3 321.760 3.585 20 0 DHADHM Cc1ccccc1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746523803 1023505981 /nfs/dbraw/zinc/50/59/81/1023505981.db2.gz YCPQAAOWNNCYQE-UHFFFAOYSA-N -1 3 323.314 3.804 20 0 DHADHM COc1ccc(F)c([N-]C(=O)c2snc(Cl)c2Cl)c1 ZINC000857466258 1023525944 /nfs/dbraw/zinc/52/59/44/1023525944.db2.gz PUCKJKAKQSELPQ-UHFFFAOYSA-N -1 3 321.160 3.850 20 0 DHADHM CC(C)c1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786028006 1023649220 /nfs/dbraw/zinc/64/92/20/1023649220.db2.gz IJVACVAHYVCXIZ-UHFFFAOYSA-N -1 3 311.337 3.924 20 0 DHADHM O=C(OCc1ccccc1OC(F)F)c1cc2occc2[n-]1 ZINC000786029546 1023649292 /nfs/dbraw/zinc/64/92/92/1023649292.db2.gz FWRCTUQCCHBKAO-UHFFFAOYSA-N -1 3 307.252 3.719 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1ccc(Cl)s1 ZINC000786033017 1023654088 /nfs/dbraw/zinc/65/40/88/1023654088.db2.gz HGQQVILMAUZTFS-UHFFFAOYSA-N -1 3 309.730 3.516 20 0 DHADHM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1cc2occc2[n-]1 ZINC000786032311 1023654459 /nfs/dbraw/zinc/65/44/59/1023654459.db2.gz ZAVZYPFSSKSUPH-UHFFFAOYSA-N -1 3 319.700 3.500 20 0 DHADHM O=C(OCCOc1ccccc1Cl)c1cc2occc2[n-]1 ZINC000786032285 1023654477 /nfs/dbraw/zinc/65/44/77/1023654477.db2.gz YPAPOHLWUBMKRN-UHFFFAOYSA-N -1 3 305.717 3.650 20 0 DHADHM O=C(OCC[C@H]1CCCCO1)c1cc2sccc2c([O-])c1 ZINC000786141360 1023662739 /nfs/dbraw/zinc/66/27/39/1023662739.db2.gz ZQBYEWCJKGLNNJ-GFCCVEGCSA-N -1 3 306.383 3.723 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000787153731 1023763922 /nfs/dbraw/zinc/76/39/22/1023763922.db2.gz PTXMPVBZAPAYPD-UHFFFAOYSA-N -1 3 305.683 3.717 20 0 DHADHM Cc1cccc(C)c1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787127879 1023764587 /nfs/dbraw/zinc/76/45/87/1023764587.db2.gz VZOGEOWNTHVPRT-UHFFFAOYSA-N -1 3 315.388 3.787 20 0 DHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1cccnc1 ZINC000787826852 1023825014 /nfs/dbraw/zinc/82/50/14/1023825014.db2.gz COFNDXHBMCUGTG-GFCCVEGCSA-N -1 3 303.333 3.553 20 0 DHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000788297960 1023868625 /nfs/dbraw/zinc/86/86/25/1023868625.db2.gz FVHVBNZILFCUEO-ZJUUUORDSA-N -1 3 307.440 3.573 20 0 DHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788294126 1023868631 /nfs/dbraw/zinc/86/86/31/1023868631.db2.gz UCBMBNJHYAZFNK-NSHDSACASA-N -1 3 312.394 3.835 20 0 DHADHM CC[S@](=O)[C@@H]1CCC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000246149843 1023896967 /nfs/dbraw/zinc/89/69/67/1023896967.db2.gz HLZRGZDQPTVEIU-ZVRJARQUSA-N -1 3 313.850 3.544 20 0 DHADHM CCc1cccc(F)c1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663260898 1023989370 /nfs/dbraw/zinc/98/93/70/1023989370.db2.gz DURBGEGNGBJWRW-LLVKDONJSA-N -1 3 321.314 3.521 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000531116947 1024024542 /nfs/dbraw/zinc/02/45/42/1024024542.db2.gz UWDPPVCSXWPUEJ-AWEZNQCLSA-N -1 3 307.459 3.702 20 0 DHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129750029 1024072322 /nfs/dbraw/zinc/07/23/22/1024072322.db2.gz BRTWERQAZOAHGG-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c1 ZINC000538765301 1033180486 /nfs/dbraw/zinc/18/04/86/1033180486.db2.gz KQKRWJQSPXDJEX-CQSZACIVSA-N -1 3 324.424 3.687 20 0 DHADHM O=C([O-])c1ccc(CN2CC3CC2(c2ccccc2)C3)cc1F ZINC000663316746 1024089965 /nfs/dbraw/zinc/08/99/65/1024089965.db2.gz GVTDZFGZECKMHG-UHFFFAOYSA-N -1 3 311.356 3.645 20 0 DHADHM COc1cccc(C=C2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000268633562 1024134950 /nfs/dbraw/zinc/13/49/50/1024134950.db2.gz WOYCHWOLQSIUBL-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)co1 ZINC000187244315 1024186691 /nfs/dbraw/zinc/18/66/91/1024186691.db2.gz OWBRKZRQKOINSB-INIZCTEOSA-N -1 3 318.332 3.702 20 0 DHADHM O=c1ccnc(C=Cc2cc(Br)c(Cl)s2)[n-]1 ZINC000790218828 1024247613 /nfs/dbraw/zinc/24/76/13/1024247613.db2.gz CUJCVBMMOABRCU-OWOJBTEDSA-N -1 3 317.595 3.830 20 0 DHADHM Cc1nc(Cl)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000790246281 1024251899 /nfs/dbraw/zinc/25/18/99/1024251899.db2.gz XLSVVQINQBIBOL-UHFFFAOYSA-N -1 3 322.767 3.850 20 0 DHADHM Cn1cc(C(=O)Nc2cc(F)ccc2[O-])c(C2CCCCC2)n1 ZINC000269629768 1024296584 /nfs/dbraw/zinc/29/65/84/1024296584.db2.gz KTYGJFGPFPXCOU-UHFFFAOYSA-N -1 3 317.364 3.565 20 0 DHADHM Cc1cc(=O)[n-]c(CSCCSCc2ccccc2)n1 ZINC000790448880 1024305399 /nfs/dbraw/zinc/30/53/99/1024305399.db2.gz FEGKISBVSUIORU-UHFFFAOYSA-N -1 3 306.456 3.657 20 0 DHADHM O=C(OCCCC1CCOCC1)c1cc(F)cc(Cl)c1[O-] ZINC000790653131 1024353268 /nfs/dbraw/zinc/35/32/68/1024353268.db2.gz FUSJFYLBFQAWKZ-UHFFFAOYSA-N -1 3 316.756 3.548 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000007745704 1024438160 /nfs/dbraw/zinc/43/81/60/1024438160.db2.gz RHWYLBXILHADAE-UHFFFAOYSA-N -1 3 323.439 3.608 20 0 DHADHM CCOc1ncccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791325287 1024471405 /nfs/dbraw/zinc/47/14/05/1024471405.db2.gz QDLKYXBPZMBSEV-UHFFFAOYSA-N -1 3 314.366 3.653 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c([O-])c1 ZINC000271222525 1024472230 /nfs/dbraw/zinc/47/22/30/1024472230.db2.gz CWXUZTRICJXBBK-MRXNPFEDSA-N -1 3 313.401 3.606 20 0 DHADHM CC(C)[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(F)cc1F ZINC000432339883 1024517889 /nfs/dbraw/zinc/51/78/89/1024517889.db2.gz KPIBUJWVSYISMV-JTQLQIEISA-N -1 3 303.259 4.095 20 0 DHADHM O=C(NCc1ncccc1[O-])Nc1ccc(-c2ccccc2)cc1 ZINC000791689588 1024544202 /nfs/dbraw/zinc/54/42/02/1024544202.db2.gz MLLHHAGCUIVIBJ-UHFFFAOYSA-N -1 3 319.364 3.776 20 0 DHADHM O=C([N-]c1csnc1-c1ccccc1)c1ocnc1C1CC1 ZINC001126305687 1024590004 /nfs/dbraw/zinc/59/00/04/1024590004.db2.gz BWVCTVGGCIXGDL-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM O=C(c1c([O-])cccc1O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000283122412 1024595982 /nfs/dbraw/zinc/59/59/82/1024595982.db2.gz VMQNIYOCCAOJAC-MUJYYYPQSA-N -1 3 323.392 3.649 20 0 DHADHM COCCCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000791911479 1024601387 /nfs/dbraw/zinc/60/13/87/1024601387.db2.gz WUEVBHHMGSYQEJ-GFCCVEGCSA-N -1 3 321.314 3.561 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000348793067 1024616259 /nfs/dbraw/zinc/61/62/59/1024616259.db2.gz FCENHWHNMLZYSN-UWVGGRQHSA-N -1 3 323.179 3.836 20 0 DHADHM CCCN(CC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792106154 1024626054 /nfs/dbraw/zinc/62/60/54/1024626054.db2.gz KKQGBSMSCJDSFZ-UHFFFAOYSA-N -1 3 311.303 3.960 20 0 DHADHM C[C@H](O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792213708 1024652873 /nfs/dbraw/zinc/65/28/73/1024652873.db2.gz IOPWEBXDGOMJDB-ZDUSSCGKSA-N -1 3 321.376 3.529 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC[C@H](c2ccccc2)O1 ZINC000349081057 1024672840 /nfs/dbraw/zinc/67/28/40/1024672840.db2.gz VEBSMEBGTPAPSS-HZPDHXFCSA-N -1 3 317.772 3.904 20 0 DHADHM CCn1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792481005 1024673539 /nfs/dbraw/zinc/67/35/39/1024673539.db2.gz AFJKZZKMXDLYGX-UHFFFAOYSA-N -1 3 308.381 3.639 20 0 DHADHM Cc1coc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000718429281 1024900900 /nfs/dbraw/zinc/90/09/00/1024900900.db2.gz NIGQXOXULMEMNA-UHFFFAOYSA-N -1 3 316.101 3.881 20 0 DHADHM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000606690129 1024961847 /nfs/dbraw/zinc/96/18/47/1024961847.db2.gz MBZDTCQTWPJWMZ-GXTWGEPZSA-N -1 3 308.397 3.547 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC000263464685 1025019717 /nfs/dbraw/zinc/01/97/17/1025019717.db2.gz CLXLEEUIXCOIMG-XHDPSFHLSA-N -1 3 314.212 3.680 20 0 DHADHM CCc1ccc(N(CC2CC2)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000877144393 1033255208 /nfs/dbraw/zinc/25/52/08/1033255208.db2.gz LUHVPAUYFFTEOC-UHFFFAOYSA-N -1 3 310.397 3.594 20 0 DHADHM [O-]c1cccc(CN2CCC=C(c3ccncc3)C2)c1Cl ZINC000353482039 1025085030 /nfs/dbraw/zinc/08/50/30/1025085030.db2.gz LAOFBCZXVCHNPD-UHFFFAOYSA-N -1 3 300.789 3.730 20 0 DHADHM CCC[C@@](C)(CC)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884485727 1025136047 /nfs/dbraw/zinc/13/60/47/1025136047.db2.gz FWNYAVSVGNXOTH-QGZVFWFLSA-N -1 3 318.373 3.702 20 0 DHADHM CCCCC[C@@](C)(CC)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793963566 1025198472 /nfs/dbraw/zinc/19/84/72/1025198472.db2.gz MFNPITMOHTUHHH-MRXNPFEDSA-N -1 3 309.410 3.522 20 0 DHADHM CCCCC[C@@](C)(CC)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793963566 1025198478 /nfs/dbraw/zinc/19/84/78/1025198478.db2.gz MFNPITMOHTUHHH-MRXNPFEDSA-N -1 3 309.410 3.522 20 0 DHADHM CSCCO[N-]C(=O)Cc1csc2ccc(Cl)cc12 ZINC000794180097 1025232322 /nfs/dbraw/zinc/23/23/22/1025232322.db2.gz GIQHPBFQCBMADW-UHFFFAOYSA-N -1 3 315.847 3.508 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2OC)c([O-])c1 ZINC001625978477 1025309270 /nfs/dbraw/zinc/30/92/70/1025309270.db2.gz AJXXCABLKYLZMI-NSHDSACASA-N -1 3 317.360 3.593 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2c(F)ccc(OCC)c2F)o1 ZINC000410626522 1025470671 /nfs/dbraw/zinc/47/06/71/1025470671.db2.gz QRIONBLAJLVAPW-UHFFFAOYSA-N -1 3 324.327 3.865 20 0 DHADHM O=C(NCC1(c2cccc(F)c2)CC1)c1cc([O-])ccc1Cl ZINC000354751188 1025496807 /nfs/dbraw/zinc/49/68/07/1025496807.db2.gz QBDHCAHPHUIJNP-UHFFFAOYSA-N -1 3 319.763 3.646 20 0 DHADHM Cc1cccnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000804922596 1025505605 /nfs/dbraw/zinc/50/56/05/1025505605.db2.gz YACAPMVGOVWHID-UHFFFAOYSA-N -1 3 313.378 3.803 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3C[C@H]3c3ccccc3)n[n-]2)o1 ZINC000354906566 1025544787 /nfs/dbraw/zinc/54/47/87/1025544787.db2.gz DOAVQKYIZBDQLG-KGLIPLIRSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCC=C4)n[n-]2)o1 ZINC000354914336 1025547641 /nfs/dbraw/zinc/54/76/41/1025547641.db2.gz WKMJFVKKBZHWCI-UHFFFAOYSA-N -1 3 320.352 3.585 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000354976845 1025562897 /nfs/dbraw/zinc/56/28/97/1025562897.db2.gz HCUDTILZKFQQSE-KRWDZBQOSA-N -1 3 311.360 3.745 20 0 DHADHM CCC[C@@]1(COC)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000614109965 1025729581 /nfs/dbraw/zinc/72/95/81/1025729581.db2.gz OILACESRVITEJF-KRWDZBQOSA-N -1 3 323.458 3.535 20 0 DHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)cc1Cl ZINC000355603433 1025783485 /nfs/dbraw/zinc/78/34/85/1025783485.db2.gz FPIPJAOQLJCEQW-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM CC[C@]1(C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000563632514 1025870765 /nfs/dbraw/zinc/87/07/65/1025870765.db2.gz WNNDUPKHZJTNFI-MRXNPFEDSA-N -1 3 311.809 3.539 20 0 DHADHM O=C(CC1CC(c2ccccc2)C1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797278 1026344464 /nfs/dbraw/zinc/34/44/64/1026344464.db2.gz GKQKGGKQYHNFID-UHFFFAOYSA-N -1 3 321.380 3.791 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1Cl)C2 ZINC000262180506 1026482710 /nfs/dbraw/zinc/48/27/10/1026482710.db2.gz PZLCANJKSNPYEK-XHDPSFHLSA-N -1 3 314.212 3.680 20 0 DHADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000280396853 1026643985 /nfs/dbraw/zinc/64/39/85/1026643985.db2.gz DYWKTWCGNFKYHW-ZDUSSCGKSA-N -1 3 312.413 3.839 20 0 DHADHM CCCCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810540110 1026785756 /nfs/dbraw/zinc/78/57/56/1026785756.db2.gz XQQYRMZDDGEXMU-UHFFFAOYSA-N -1 3 301.795 3.856 20 0 DHADHM CO[C@@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810548237 1026786479 /nfs/dbraw/zinc/78/64/79/1026786479.db2.gz UJCZMRSPJIJCRX-NXEZZACHSA-N -1 3 313.806 3.997 20 0 DHADHM COc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000810599566 1026788824 /nfs/dbraw/zinc/78/88/24/1026788824.db2.gz IRJHABXMYAATSR-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM O=C(OCCc1cccnc1)c1cc2cc(Cl)sc2[n-]1 ZINC000810572153 1026791220 /nfs/dbraw/zinc/79/12/20/1026791220.db2.gz LITXQVHOMJZBOU-UHFFFAOYSA-N -1 3 306.774 3.677 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421889491 1027079948 /nfs/dbraw/zinc/07/99/48/1027079948.db2.gz KGCGHDCITHNDJF-AXFHLTTASA-N -1 3 324.218 3.838 20 0 DHADHM Cc1ccc(-c2cnc(CCC(=O)[N-]OC3CCCC3)o2)cc1 ZINC000271747226 1027134350 /nfs/dbraw/zinc/13/43/50/1027134350.db2.gz JTCGDBGIMIFNQT-UHFFFAOYSA-N -1 3 314.385 3.573 20 0 DHADHM CC(=O)c1cccc(NC(=O)C/C=C/c2ccc(F)cc2)c1[O-] ZINC000561962381 1027147402 /nfs/dbraw/zinc/14/74/02/1027147402.db2.gz WTUQJKVSUISFQU-DUXPYHPUSA-N -1 3 313.328 3.776 20 0 DHADHM O=C([N-]CCCSC[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F ZINC000812310912 1027241534 /nfs/dbraw/zinc/24/15/34/1027241534.db2.gz RTAUNTPKXHDXFX-STQMWFEESA-N -1 3 317.376 3.592 20 0 DHADHM CCc1cccc(C(=O)N(Cc2ccccc2Cl)OC)c1[O-] ZINC000812428521 1027278246 /nfs/dbraw/zinc/27/82/46/1027278246.db2.gz XHKHAXYIXFTNBI-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM COc1cccc([C@H](C)CCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000812407620 1027283769 /nfs/dbraw/zinc/28/37/69/1027283769.db2.gz JMSGMEVRDCSMBC-ZQNFCJTASA-N -1 3 311.809 3.769 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2C)c1[O-] ZINC000573597206 1027310450 /nfs/dbraw/zinc/31/04/50/1027310450.db2.gz UCDBWNCLTNZYFQ-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000295652169 1027376523 /nfs/dbraw/zinc/37/65/23/1027376523.db2.gz GLROORJMRPSCBE-ZIAGYGMSSA-N -1 3 312.413 3.887 20 0 DHADHM CC(C)N(Cc1ccccn1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000574377288 1027389288 /nfs/dbraw/zinc/38/92/88/1027389288.db2.gz FHRHTINRBXOEMU-UHFFFAOYSA-N -1 3 320.392 3.991 20 0 DHADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)[N-]OC1CCC1 ZINC000812787122 1027403519 /nfs/dbraw/zinc/40/35/19/1027403519.db2.gz DNPYHBMGKSWUSA-UHFFFAOYSA-N -1 3 320.776 3.528 20 0 DHADHM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OC1CCC1 ZINC000812789021 1027408106 /nfs/dbraw/zinc/40/81/06/1027408106.db2.gz IJLOXJARNYGMBB-UHFFFAOYSA-N -1 3 306.793 3.675 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)ncc2F)CC)n1 ZINC000295756361 1027418293 /nfs/dbraw/zinc/41/82/93/1027418293.db2.gz AJKFCPPJNHRYJK-UXBLZVDNSA-N -1 3 305.328 3.759 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]34C[C@@H]3CCC4)c2)n1 ZINC000575037427 1027450293 /nfs/dbraw/zinc/45/02/93/1027450293.db2.gz NZORPSZPXYNDDS-DJJJIMSYSA-N -1 3 323.396 3.540 20 0 DHADHM CCCSc1cccc(NC(=O)c2cccc(C)c2[O-])n1 ZINC001170695616 1027500683 /nfs/dbraw/zinc/50/06/83/1027500683.db2.gz HGFUCGFYVWYHSB-UHFFFAOYSA-N -1 3 302.399 3.850 20 0 DHADHM CCOc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1OC ZINC000576810848 1027662472 /nfs/dbraw/zinc/66/24/72/1027662472.db2.gz XHWPOJOMJIPOSM-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM CSc1ncc2ccc(-c3ccc([O-])cc3Cl)nc2n1 ZINC001245078470 1027716598 /nfs/dbraw/zinc/71/65/98/1027716598.db2.gz KFVYNRKTYTUJHA-UHFFFAOYSA-N -1 3 303.774 3.773 20 0 DHADHM CC(C)CSCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527460993 1027718540 /nfs/dbraw/zinc/71/85/40/1027718540.db2.gz ZYBRBAJWJATKLA-UHFFFAOYSA-N -1 3 303.427 3.664 20 0 DHADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000813838682 1027739757 /nfs/dbraw/zinc/73/97/57/1027739757.db2.gz NRWKMUCOWUSWCU-LBPRGKRZSA-N -1 3 315.316 3.678 20 0 DHADHM COc1cnc([C@@H]2CCCN2CC[C@H]2CCC[C@H](C)C2)[n-]c1=O ZINC000934272217 1027948493 /nfs/dbraw/zinc/94/84/93/1027948493.db2.gz FSOQJLRFNNRGMT-ZNMIVQPWSA-N -1 3 319.449 3.544 20 0 DHADHM O=C([N-][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C(F)F ZINC000365507841 1027956719 /nfs/dbraw/zinc/95/67/19/1027956719.db2.gz JVABATZOIQZYGP-QMMMGPOBSA-N -1 3 310.127 3.588 20 0 DHADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1(C)C ZINC000563284745 1027980652 /nfs/dbraw/zinc/98/06/52/1027980652.db2.gz VPHUDJMXGCTUTG-YGRLFVJLSA-N -1 3 313.800 3.973 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC000935075748 1028196327 /nfs/dbraw/zinc/19/63/27/1028196327.db2.gz BMRHTVJVTYOCNT-UHFFFAOYSA-N -1 3 307.419 3.843 20 0 DHADHM Cc1cccc2nc(-c3ccnc(C(F)(F)F)c3)[n-]c(=O)c12 ZINC000579216797 1028355257 /nfs/dbraw/zinc/35/52/57/1028355257.db2.gz NOSBIUCJACSXBL-UHFFFAOYSA-N -1 3 305.259 3.725 20 0 DHADHM CC(F)(F)C(=O)[N-][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000815799668 1028626051 /nfs/dbraw/zinc/62/60/51/1028626051.db2.gz BJLIBYQBPGWJIA-CYBMUJFWSA-N -1 3 310.731 3.596 20 0 DHADHM Cc1onc(-c2ccc(F)cc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000041481012 1028733677 /nfs/dbraw/zinc/73/36/77/1028733677.db2.gz LKBXRLQIACMVLJ-AWEZNQCLSA-N -1 3 321.311 3.674 20 0 DHADHM N#Cc1ccc(CO[N-]C(=O)CCC2CCCCC2)cc1F ZINC000190078300 1028752164 /nfs/dbraw/zinc/75/21/64/1028752164.db2.gz KPTABBLXELSETO-UHFFFAOYSA-N -1 3 304.365 3.606 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000627520970 1028772239 /nfs/dbraw/zinc/77/22/39/1028772239.db2.gz DFCUEBQNIRMENV-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)/C=C/c2c(Cl)nc3sccn23)ccc1[O-] ZINC000077166054 1028785615 /nfs/dbraw/zinc/78/56/15/1028785615.db2.gz JKRRYSYWGHAJBH-HWKANZROSA-N -1 3 318.785 3.959 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1[O-] ZINC000566990313 1028815209 /nfs/dbraw/zinc/81/52/09/1028815209.db2.gz XANQFZXQKIANCX-UHFFFAOYSA-N -1 3 309.365 3.556 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000567365518 1028878965 /nfs/dbraw/zinc/87/89/65/1028878965.db2.gz DKJVRSCEUFPQJH-FZMZJTMJSA-N -1 3 311.809 3.825 20 0 DHADHM CC1(C)Oc2ccc(NCc3c(F)ccc([O-])c3F)cc2O1 ZINC000816563834 1028944415 /nfs/dbraw/zinc/94/44/15/1028944415.db2.gz LCCBMSJYIGDYJU-UHFFFAOYSA-N -1 3 307.296 3.790 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000568075080 1029001726 /nfs/dbraw/zinc/00/17/26/1029001726.db2.gz WSDSAPJIAZXQBN-LJQANCHMSA-N -1 3 324.424 3.697 20 0 DHADHM CC[C@H](C)CONC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000816977652 1029046676 /nfs/dbraw/zinc/04/66/76/1029046676.db2.gz FBLSPCPFRMXFNJ-AWEZNQCLSA-N -1 3 313.397 3.691 20 0 DHADHM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000449865781 1029048212 /nfs/dbraw/zinc/04/82/12/1029048212.db2.gz AYPZJVXJGLMVDI-CQSZACIVSA-N -1 3 319.401 3.807 20 0 DHADHM CSC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000817059570 1029062751 /nfs/dbraw/zinc/06/27/51/1029062751.db2.gz AEBBDXQTSIKQDU-LLVKDONJSA-N -1 3 321.467 3.822 20 0 DHADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449960701 1029107336 /nfs/dbraw/zinc/10/73/36/1029107336.db2.gz OBMGVWLJBCJSDE-INIZCTEOSA-N -1 3 315.388 3.554 20 0 DHADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccs1 ZINC000411549257 1029157368 /nfs/dbraw/zinc/15/73/68/1029157368.db2.gz ZJAAIKCSUMSDFA-ZDUSSCGKSA-N -1 3 303.383 3.537 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450088502 1029202088 /nfs/dbraw/zinc/20/20/88/1029202088.db2.gz QBPUTCZFDRNPOX-UHFFFAOYSA-N -1 3 317.360 3.850 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N(CC1CCC1)c1ccccc1 ZINC000450124807 1029215711 /nfs/dbraw/zinc/21/57/11/1029215711.db2.gz IDSCQLPBYYQIJW-UHFFFAOYSA-N -1 3 313.372 3.907 20 0 DHADHM COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c([O-])c1 ZINC001135984614 1029229346 /nfs/dbraw/zinc/22/93/46/1029229346.db2.gz GKWRAJRWFVDPKQ-SFHVURJKSA-N -1 3 311.381 3.590 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@@H]2CCC[C@@H]21 ZINC000629374037 1029315921 /nfs/dbraw/zinc/31/59/21/1029315921.db2.gz OQVNNTMCYJSIFT-UMVBOHGHSA-N -1 3 311.784 3.554 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1[O-] ZINC000412107226 1029324392 /nfs/dbraw/zinc/32/43/92/1029324392.db2.gz JOCHNKGQLCWGFK-ROUUACIJSA-N -1 3 323.392 3.661 20 0 DHADHM Cc1nc(CN[C@H](C)[C@H](C)C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000570169558 1029326980 /nfs/dbraw/zinc/32/69/80/1029326980.db2.gz ZRVGWUXRUHZMAQ-VHSXEESVSA-N -1 3 322.792 3.502 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)cc1[O-] ZINC000412144387 1029338601 /nfs/dbraw/zinc/33/86/01/1029338601.db2.gz GPOMOKLBYXTREU-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM CCCN(C)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000629593104 1029378707 /nfs/dbraw/zinc/37/87/07/1029378707.db2.gz KAWJULRYLAHACM-UHFFFAOYSA-N -1 3 316.376 3.559 20 0 DHADHM C[C@]12CCCC[C@H]1CN2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000629618161 1029385420 /nfs/dbraw/zinc/38/54/20/1029385420.db2.gz DRRKLJMSNFTEKO-NHYWBVRUSA-N -1 3 313.319 3.816 20 0 DHADHM CCN(Cc1occc1C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000412809902 1029530893 /nfs/dbraw/zinc/53/08/93/1029530893.db2.gz WVZOGGCPRWYIKY-UHFFFAOYSA-N -1 3 319.376 3.804 20 0 DHADHM O=C(C=CSc1ccccc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820219286 1029703819 /nfs/dbraw/zinc/70/38/19/1029703819.db2.gz UZQZKTGOUGZLSD-CMDGGOBGSA-N -1 3 311.366 3.513 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccsc2)c1 ZINC001136362883 1029754693 /nfs/dbraw/zinc/75/46/93/1029754693.db2.gz JIIWJEMIHQSPPX-JTQLQIEISA-N -1 3 307.440 3.537 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC)c3ncccc23)c1 ZINC001136384556 1029778832 /nfs/dbraw/zinc/77/88/32/1029778832.db2.gz NSTZMHDMTZCFHU-UHFFFAOYSA-N -1 3 322.364 3.764 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c([O-])c1 ZINC000530458500 1029855900 /nfs/dbraw/zinc/85/59/00/1029855900.db2.gz QKNHFWKTZYSFRI-STQMWFEESA-N -1 3 323.458 3.537 20 0 DHADHM CCc1onc(C)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000357153747 1029914981 /nfs/dbraw/zinc/91/49/81/1029914981.db2.gz VMKFULDPVNOLPR-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM CO[C@H](C)c1nc(CN[C@@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000925238040 1029995288 /nfs/dbraw/zinc/99/52/88/1029995288.db2.gz RTAALHBMBSKJEM-VHSXEESVSA-N -1 3 310.394 3.546 20 0 DHADHM CC[C@@H]([N-]c1nnc(C(F)F)o1)c1cccc(OC)c1OC ZINC000866140467 1030140663 /nfs/dbraw/zinc/14/06/63/1030140663.db2.gz KLSWDCUUJDJPBW-SECBINFHSA-N -1 3 313.304 3.588 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CCC2)c1Cl ZINC000533178422 1030172623 /nfs/dbraw/zinc/17/26/23/1030172623.db2.gz JMUYYQRSWDVBNS-UHFFFAOYSA-N -1 3 308.230 3.523 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@@H](C)Oc2ccccc2)c([O-])c1 ZINC001136814372 1030460954 /nfs/dbraw/zinc/46/09/54/1030460954.db2.gz BZGCFORZTJVRDJ-CQSZACIVSA-N -1 3 313.397 3.713 20 0 DHADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC001136835329 1030491710 /nfs/dbraw/zinc/49/17/10/1030491710.db2.gz SCCBNJSNIGVGPP-SNVBAGLBSA-N -1 3 305.324 3.724 20 0 DHADHM [O-]c1ccc(Nc2nc(-c3ccncc3)cs2)c(F)c1F ZINC001211997922 1030502266 /nfs/dbraw/zinc/50/22/66/1030502266.db2.gz SHBOYNVNMNUQNV-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM O=c1[n-]cncc1Nc1cccc(F)c1OCc1ccccc1 ZINC001212019001 1030666284 /nfs/dbraw/zinc/66/62/84/1030666284.db2.gz IYYDTIIBOQZTMH-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM C[C@@H]1Cc2cc(Nc3ccc([O-])c(F)c3F)ccc2N(C)C1=O ZINC001212016375 1030671620 /nfs/dbraw/zinc/67/16/20/1030671620.db2.gz NDBYUJQIEDHQDO-SECBINFHSA-N -1 3 318.323 3.569 20 0 DHADHM Cn1c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc2ccccc21 ZINC001212044549 1030732746 /nfs/dbraw/zinc/73/27/46/1030732746.db2.gz IYDWLFVNLDWOKM-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c(c1)C=CCCC2 ZINC000825255136 1030763106 /nfs/dbraw/zinc/76/31/06/1030763106.db2.gz YATWBIBHLXAIBS-INIZCTEOSA-N -1 3 302.374 3.616 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)C=CCCC2 ZINC000825255136 1030763121 /nfs/dbraw/zinc/76/31/21/1030763121.db2.gz YATWBIBHLXAIBS-INIZCTEOSA-N -1 3 302.374 3.616 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000292111930 1030816064 /nfs/dbraw/zinc/81/60/64/1030816064.db2.gz NKZZXRUWHODGPX-CYBMUJFWSA-N -1 3 316.401 3.677 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000292229465 1030890556 /nfs/dbraw/zinc/89/05/56/1030890556.db2.gz PMGTWUTYHVXCGL-ZDUSSCGKSA-N -1 3 316.401 3.677 20 0 DHADHM CC(=O)Oc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001212084507 1031004535 /nfs/dbraw/zinc/00/45/35/1031004535.db2.gz ZFTBEKLPSJZLEC-UHFFFAOYSA-N -1 3 322.158 3.824 20 0 DHADHM CCCCCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053299518 1031016726 /nfs/dbraw/zinc/01/67/26/1031016726.db2.gz HCKQQBRJVDXMOO-ZDUSSCGKSA-N -1 3 300.402 3.617 20 0 DHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC000871268960 1031178268 /nfs/dbraw/zinc/17/82/68/1031178268.db2.gz KLATZTVTBXIOBC-UHFFFAOYSA-N -1 3 316.254 3.915 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@H]2OCCc3ccccc32)n1 ZINC000871695579 1031271462 /nfs/dbraw/zinc/27/14/62/1031271462.db2.gz CTWXXPUMWPMSCN-IUODEOHRSA-N -1 3 316.426 3.599 20 0 DHADHM Cc1ccc(Cl)c(SCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000871698066 1031274659 /nfs/dbraw/zinc/27/46/59/1031274659.db2.gz IDKMWKJZYODTMR-UHFFFAOYSA-N -1 3 322.817 3.509 20 0 DHADHM CO[C@H]1C[C@@H](CSCc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000871704513 1031279103 /nfs/dbraw/zinc/27/91/03/1031279103.db2.gz RDYNXXHRWJMMJY-JNSHFYNHSA-N -1 3 316.426 3.507 20 0 DHADHM Cc1ccc(COc2ccc3c([O-])coc3c2C)c(Cl)n1 ZINC000871800431 1031318794 /nfs/dbraw/zinc/31/87/94/1031318794.db2.gz JXGPFAARTVFGIZ-UHFFFAOYSA-N -1 3 303.745 3.506 20 0 DHADHM O=C([N-]c1cccc(Cl)c1F)c1cc(-c2ccccn2)no1 ZINC000360246354 1031344533 /nfs/dbraw/zinc/34/45/33/1031344533.db2.gz UPPQKEUSEZGXNH-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM CCc1ccc(-c2nc(C(C)(C)c3ccncc3)no2)c([O-])c1 ZINC000871856962 1031354449 /nfs/dbraw/zinc/35/44/49/1031354449.db2.gz ZJCBKKZIXIXEDM-UHFFFAOYSA-N -1 3 309.369 3.726 20 0 DHADHM CC(C)CN(Cc1ccccn1)C(=O)c1cc([O-])ccc1Cl ZINC000928737529 1031370524 /nfs/dbraw/zinc/37/05/24/1031370524.db2.gz UXAYOCWGTHHFQV-UHFFFAOYSA-N -1 3 318.804 3.739 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CNC1CC(C(=O)[O-])C1 ZINC000871883867 1031373497 /nfs/dbraw/zinc/37/34/97/1031373497.db2.gz AODMISKFWUPJGN-UHFFFAOYSA-N -1 3 313.850 3.793 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccccc2F)c1[O-] ZINC000536693264 1031396578 /nfs/dbraw/zinc/39/65/78/1031396578.db2.gz KAHSJAXJXMBOAU-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM C[C@H](NCc1ccccc1OC(F)F)c1cccc([O-])c1F ZINC000872018547 1031400757 /nfs/dbraw/zinc/40/07/57/1031400757.db2.gz NZMXGCAVOBGJOM-JTQLQIEISA-N -1 3 311.303 3.984 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1[O-] ZINC000536698039 1031404477 /nfs/dbraw/zinc/40/44/77/1031404477.db2.gz NGXQCHJMMGWOCK-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(CCC2CCOCC2)no1 ZINC000293324577 1031427843 /nfs/dbraw/zinc/42/78/43/1031427843.db2.gz ZPBXAGUBYVAILJ-UHFFFAOYSA-N -1 3 324.380 3.955 20 0 DHADHM C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cccc([O-])c1F ZINC000872055465 1031445782 /nfs/dbraw/zinc/44/57/82/1031445782.db2.gz IVBWEGYPICCOON-NSHDSACASA-N -1 3 315.344 3.600 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OC/C(Cl)=C\Cl ZINC000124259067 1031663511 /nfs/dbraw/zinc/66/35/11/1031663511.db2.gz YHFYIIHIYOESIT-UKTHLTGXSA-N -1 3 310.180 3.749 20 0 DHADHM CN(CCc1ccc(Cl)cc1)Cc1c(F)cc([O-])cc1F ZINC001144554867 1031700648 /nfs/dbraw/zinc/70/06/48/1031700648.db2.gz KEQOVLIBMYTPLQ-UHFFFAOYSA-N -1 3 311.759 3.998 20 0 DHADHM Cc1ncc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000057151034 1031709640 /nfs/dbraw/zinc/70/96/40/1031709640.db2.gz JOYYYYDJXIMBKE-UHFFFAOYSA-N -1 3 304.415 3.553 20 0 DHADHM CCCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001144626626 1031762737 /nfs/dbraw/zinc/76/27/37/1031762737.db2.gz ZDIJPGJTZDDFKX-UHFFFAOYSA-N -1 3 315.388 3.903 20 0 DHADHM CC(C)=CCC/C(C)=C/CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001144632903 1031779749 /nfs/dbraw/zinc/77/97/49/1031779749.db2.gz VYZADNXQNYAYJV-NTEUORMPSA-N -1 3 305.393 3.883 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)cc2[nH]ccc21 ZINC001144631133 1031780837 /nfs/dbraw/zinc/78/08/37/1031780837.db2.gz IGWGIRDNVCWNHZ-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM CC(C)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001144632693 1031781185 /nfs/dbraw/zinc/78/11/85/1031781185.db2.gz PEUGFOOMGCQHTP-KRWDZBQOSA-N -1 3 315.388 3.977 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1Cl ZINC000294271587 1031912971 /nfs/dbraw/zinc/91/29/71/1031912971.db2.gz OLGJEGJPURMECA-DZGCQCFKSA-N -1 3 321.804 3.727 20 0 DHADHM CC(C)Oc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000294300230 1031923834 /nfs/dbraw/zinc/92/38/34/1031923834.db2.gz PYIOJVRPPNLUHA-UHFFFAOYSA-N -1 3 307.340 3.747 20 0 DHADHM [O-]c1cccc(CNCc2ccccc2OC(F)F)c1Cl ZINC000328078521 1031934478 /nfs/dbraw/zinc/93/44/78/1031934478.db2.gz AEICTMOZXWBUSI-UHFFFAOYSA-N -1 3 313.731 3.937 20 0 DHADHM CCCc1nnc([N-]C(=O)c2c(C)occ2C(F)(F)F)s1 ZINC000874134197 1031978903 /nfs/dbraw/zinc/97/89/03/1031978903.db2.gz HMXHVQDYDIPOSP-UHFFFAOYSA-N -1 3 319.308 3.663 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC000874134205 1031980890 /nfs/dbraw/zinc/98/08/90/1031980890.db2.gz HVVXMHNQNOKBQL-UHFFFAOYSA-N -1 3 303.359 3.913 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OC2CCCCC2)c1 ZINC000777962207 1032047856 /nfs/dbraw/zinc/04/78/56/1032047856.db2.gz SGBRFCIZXNMPBN-UHFFFAOYSA-N -1 3 303.402 3.647 20 0 DHADHM COc1cc(OC)cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000478208240 1033425971 /nfs/dbraw/zinc/42/59/71/1033425971.db2.gz KROYFEPHXOMVSK-UHFFFAOYSA-N -1 3 316.744 3.673 20 0 DHADHM CCOc1cc(CNc2cnn(CC)c2C)cc(Cl)c1[O-] ZINC000877832313 1033478397 /nfs/dbraw/zinc/47/83/97/1033478397.db2.gz JNXFETFWWHMJIQ-UHFFFAOYSA-N -1 3 309.797 3.581 20 0 DHADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c2ccccc12 ZINC001212708347 1033569486 /nfs/dbraw/zinc/56/94/86/1033569486.db2.gz FOYYUXVVLUWQQG-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM C[C@@H]1c2ccccc2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878082980 1033575758 /nfs/dbraw/zinc/57/57/58/1033575758.db2.gz KOQFPMRPQKPIDT-CYBMUJFWSA-N -1 3 321.380 3.562 20 0 DHADHM [O-]c1ccccc1-c1nnc(CNC2(c3ccccc3)CCC2)o1 ZINC000878206426 1033622007 /nfs/dbraw/zinc/62/20/07/1033622007.db2.gz WWDXBCHGLCMDKV-UHFFFAOYSA-N -1 3 321.380 3.611 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000063447415 1033650566 /nfs/dbraw/zinc/65/05/66/1033650566.db2.gz VKFSUAWIVPCIFV-UHFFFAOYSA-N -1 3 300.289 3.943 20 0 DHADHM CSCCCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000861797051 1033719438 /nfs/dbraw/zinc/71/94/38/1033719438.db2.gz NFAXRILTTZYVQZ-UHFFFAOYSA-N -1 3 307.419 3.521 20 0 DHADHM Cc1cccc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)c1C ZINC000878639913 1033778425 /nfs/dbraw/zinc/77/84/25/1033778425.db2.gz ZIYNBJGLANWRCB-UHFFFAOYSA-N -1 3 323.396 3.691 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)C1(F)F ZINC000862437103 1033853219 /nfs/dbraw/zinc/85/32/19/1033853219.db2.gz CKWJDTRNTOTRCH-VXGBXAGGSA-N -1 3 319.351 3.909 20 0 DHADHM Cc1cc(CO)cc(Nc2cccc([O-])c2Br)c1 ZINC001212758826 1033907782 /nfs/dbraw/zinc/90/77/82/1033907782.db2.gz NYYVJEPJOWKYMN-UHFFFAOYSA-N -1 3 308.175 3.699 20 0 DHADHM CC(C)Cc1csc2[n-]c(COC3CCCC3)nc(=O)c12 ZINC000174446826 1033932158 /nfs/dbraw/zinc/93/21/58/1033932158.db2.gz GNKCCRXMQLHTNH-UHFFFAOYSA-N -1 3 306.431 3.642 20 0 DHADHM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)s1 ZINC000339048879 1033971910 /nfs/dbraw/zinc/97/19/10/1033971910.db2.gz QITRWRKHVRYQCL-CQSZACIVSA-N -1 3 324.471 3.517 20 0 DHADHM Cc1ccc(Nc2ccc(C(=O)N(C)C)cc2)c(Cl)c1[O-] ZINC001174008158 1034036570 /nfs/dbraw/zinc/03/65/70/1034036570.db2.gz QYWHADJHPHTFOA-UHFFFAOYSA-N -1 3 304.777 3.799 20 0 DHADHM CC(C)(C)c1nnc([N-]c2cnn(Cc3ccccc3)c2)s1 ZINC001174131060 1034154791 /nfs/dbraw/zinc/15/47/91/1034154791.db2.gz AMFROSMGHZCMCJ-UHFFFAOYSA-N -1 3 313.430 3.824 20 0 DHADHM O=c1[n-]cncc1Nc1cc(F)ccc1OCc1ccccc1 ZINC001174121689 1034189226 /nfs/dbraw/zinc/18/92/26/1034189226.db2.gz WJNHZGTUNJWHHN-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174194656 1034215094 /nfs/dbraw/zinc/21/50/94/1034215094.db2.gz KBYMKIYPNDTUFT-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM CC(C)[C@@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CC1(C)C ZINC000480397533 1034229087 /nfs/dbraw/zinc/22/90/87/1034229087.db2.gz QXJAZAUERFSQRS-KRWDZBQOSA-N -1 3 307.409 3.747 20 0 DHADHM O=C([O-])c1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174396533 1034321701 /nfs/dbraw/zinc/32/17/01/1034321701.db2.gz FZVFQVOZFIVXHT-UHFFFAOYSA-N -1 3 308.381 3.587 20 0 DHADHM O=c1cc(Nc2ccnc(C(F)(F)F)c2)n(C2CCCC2)[n-]1 ZINC001174360513 1034336008 /nfs/dbraw/zinc/33/60/08/1034336008.db2.gz YXNNKTPBCYKUPO-UHFFFAOYSA-N -1 3 312.295 3.861 20 0 DHADHM COC(=O)c1ccc(Nc2ccc(C)c([O-])c2Cl)cc1OC ZINC001174430456 1034379471 /nfs/dbraw/zinc/37/94/71/1034379471.db2.gz YZGIOUPXORPLFT-UHFFFAOYSA-N -1 3 321.760 3.893 20 0 DHADHM CCc1nc(CNC[C@H](CC(=O)[O-])[C@H]2CCC[C@@H](C)C2)cs1 ZINC000864532850 1034381730 /nfs/dbraw/zinc/38/17/30/1034381730.db2.gz IUFJFHLYGVVULB-RDBSUJKOSA-N -1 3 324.490 3.712 20 0 DHADHM CC(C)(C)OC(=O)N1CC=C(Nc2cccc(Cl)c2[O-])CC1 ZINC001174441869 1034387524 /nfs/dbraw/zinc/38/75/24/1034387524.db2.gz SIBXNUHJMFEEHG-UHFFFAOYSA-N -1 3 324.808 3.982 20 0 DHADHM CNc1ncc2cc(Nc3nc4c(cccc4[O-])s3)ccc2n1 ZINC001174531122 1034446641 /nfs/dbraw/zinc/44/66/41/1034446641.db2.gz ZYYKBXBXONDJPY-UHFFFAOYSA-N -1 3 323.381 3.730 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174584272 1034491058 /nfs/dbraw/zinc/49/10/58/1034491058.db2.gz FYQYBSDHJHDPOK-UHFFFAOYSA-N -1 3 322.151 3.828 20 0 DHADHM [O-]c1cc(F)cc(CNc2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000185536740 1034556395 /nfs/dbraw/zinc/55/63/95/1034556395.db2.gz OFRQHWPHAYXTRV-GOSISDBHSA-N -1 3 317.360 3.701 20 0 DHADHM COCCCOc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000185590372 1034559368 /nfs/dbraw/zinc/55/93/68/1034559368.db2.gz XDBNZOJNXDRHMP-UHFFFAOYSA-N -1 3 305.349 3.559 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2c(C)noc2C2CC2)s1 ZINC000128977952 1034590263 /nfs/dbraw/zinc/59/02/63/1034590263.db2.gz XUQSHLDXCMMHJB-UHFFFAOYSA-N -1 3 320.418 3.868 20 0 DHADHM CCc1c(-c2cccc(C)c2)[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000899359460 1034602721 /nfs/dbraw/zinc/60/27/21/1034602721.db2.gz APTFKEUMUNEYJI-YALNPMBYSA-N -1 3 314.429 3.524 20 0 DHADHM CCc1c(-c2cccc(C)c2)[n-]n(C2C[C@H](C)O[C@@H](C)C2)c1=O ZINC000899359463 1034603298 /nfs/dbraw/zinc/60/32/98/1034603298.db2.gz APTFKEUMUNEYJI-ZQIUZPCESA-N -1 3 314.429 3.524 20 0 DHADHM CCCCn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1 ZINC000186210008 1034609145 /nfs/dbraw/zinc/60/91/45/1034609145.db2.gz FVAADNHMECJSAB-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(F)c(C)c2)CC)n1 ZINC000899370933 1034619116 /nfs/dbraw/zinc/61/91/16/1034619116.db2.gz CCAPFMMPNWKUKX-JYRVWZFOSA-N -1 3 301.365 3.516 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc(F)c(F)c(F)c1 ZINC001174954362 1034706418 /nfs/dbraw/zinc/70/64/18/1034706418.db2.gz DBYCVZCDIGZWHZ-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc(F)c(F)c1F ZINC001174969255 1034716622 /nfs/dbraw/zinc/71/66/22/1034716622.db2.gz LSJVRLFCNUFIIK-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM COc1ccc2c(c1Nc1c(F)cc([O-])cc1F)C(=O)CC2 ZINC001175099523 1034781007 /nfs/dbraw/zinc/78/10/07/1034781007.db2.gz KYNIPGYZHPDTBP-UHFFFAOYSA-N -1 3 305.280 3.552 20 0 DHADHM Cc1cc(=O)oc2cc(Nc3c(F)cc([O-])cc3F)ccc12 ZINC001175099919 1034781374 /nfs/dbraw/zinc/78/13/74/1034781374.db2.gz HIUFJEMVVSPBAA-UHFFFAOYSA-N -1 3 303.264 3.829 20 0 DHADHM O=C1CCCN1c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100678 1034782675 /nfs/dbraw/zinc/78/26/75/1034782675.db2.gz UOYZUWROZLXQAL-UHFFFAOYSA-N -1 3 304.296 3.541 20 0 DHADHM COc1ccc(F)c([N-]c2cc(-c3ccncc3)no2)c1F ZINC001175117793 1034785608 /nfs/dbraw/zinc/78/56/08/1034785608.db2.gz KQLYHSGYZRALES-UHFFFAOYSA-N -1 3 303.268 3.767 20 0 DHADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000192736216 1034815383 /nfs/dbraw/zinc/81/53/83/1034815383.db2.gz IWFFYMQMVZMYEQ-HZMBPMFUSA-N -1 3 307.344 3.571 20 0 DHADHM O=c1cc(Nc2cccc(C(F)(F)F)c2F)nc(C2CC2)[n-]1 ZINC001175135364 1034833315 /nfs/dbraw/zinc/83/33/15/1034833315.db2.gz JNORXOYDERMCSG-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM Cc1cc(C)n2ccc(C(=O)Nc3cc([O-])cc(Cl)c3)c2n1 ZINC001175138580 1034835994 /nfs/dbraw/zinc/83/59/94/1034835994.db2.gz YOLBZWQIKVRNJY-UHFFFAOYSA-N -1 3 315.760 3.562 20 0 DHADHM O=c1cc(Nc2c(F)cc(F)cc2F)[n-]n1-c1ccccc1 ZINC001175147429 1034841118 /nfs/dbraw/zinc/84/11/18/1034841118.db2.gz MELUZJOJNTXEMO-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(CC(C)C)c2)CC)n1 ZINC000193617604 1034849307 /nfs/dbraw/zinc/84/93/07/1034849307.db2.gz YJYRIPFHUFHRMT-OVCLIPMQSA-N -1 3 314.433 3.526 20 0 DHADHM Cc1ccc(C)c([C@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448664818 1034872847 /nfs/dbraw/zinc/87/28/47/1034872847.db2.gz KRVFSOGVICIOJD-AWEZNQCLSA-N -1 3 315.388 3.910 20 0 DHADHM O=c1[n-]cncc1Nc1c(F)cccc1OCc1ccccc1 ZINC001175279456 1034896094 /nfs/dbraw/zinc/89/60/94/1034896094.db2.gz YFELCCPLVDCKQC-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(Br)ccc2O)c1F ZINC001175264175 1034912656 /nfs/dbraw/zinc/91/26/56/1034912656.db2.gz BMYYJTRIGMZCHX-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=c1[nH]cc(-c2ccccn2)cc1Nc1c(F)ccc([O-])c1F ZINC001175264631 1034914057 /nfs/dbraw/zinc/91/40/57/1034914057.db2.gz ZHHRGCJABGJJRX-UHFFFAOYSA-N -1 3 315.279 3.577 20 0 DHADHM CC1(C)Oc2cc(Nc3c(F)ccc([O-])c3F)ccc2NC1=O ZINC001175269018 1034916343 /nfs/dbraw/zinc/91/63/43/1034916343.db2.gz WRQPOPUEXBZFKV-UHFFFAOYSA-N -1 3 320.295 3.524 20 0 DHADHM C[C@@H]1Cc2cc(Nc3c(F)ccc([O-])c3F)ccc2N(C)C1=O ZINC001175270889 1034916425 /nfs/dbraw/zinc/91/64/25/1034916425.db2.gz NCVIAAKZUNTIOL-SECBINFHSA-N -1 3 318.323 3.569 20 0 DHADHM COC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1Cl ZINC001175271640 1034918026 /nfs/dbraw/zinc/91/80/26/1034918026.db2.gz YXWJNUAMIHRBOA-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM O=C1CCOc2c(Nc3c(F)ccc([O-])c3F)ccc(F)c21 ZINC001175271646 1034918567 /nfs/dbraw/zinc/91/85/67/1034918567.db2.gz ZCGLNRWVKIIVLH-UHFFFAOYSA-N -1 3 309.243 3.518 20 0 DHADHM COc1ncc(C)cc1Nc1cccc([O-])c1Br ZINC001175338595 1034940355 /nfs/dbraw/zinc/94/03/55/1034940355.db2.gz YSMLINQCYSSZOH-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM Fc1c(F)c(F)c([N-]c2noc3cnccc23)c(F)c1F ZINC001175382785 1034961743 /nfs/dbraw/zinc/96/17/43/1034961743.db2.gz FUANRFNZMYKQON-UHFFFAOYSA-N -1 3 301.174 3.662 20 0 DHADHM Clc1cccc2c(Nc3ccc(-c4nn[n-]n4)cc3)ccnc12 ZINC001175428643 1034979306 /nfs/dbraw/zinc/97/93/06/1034979306.db2.gz NWJUZLMJGBYSPQ-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1ccc(-c2ccncc2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432253 1034980947 /nfs/dbraw/zinc/98/09/47/1034980947.db2.gz XFSVVUZEUSHQGW-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC001175430276 1034981310 /nfs/dbraw/zinc/98/13/10/1034981310.db2.gz NONRBXHHEBHFDD-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CCS(=O)(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001175453544 1035007036 /nfs/dbraw/zinc/00/70/36/1035007036.db2.gz VNUYUXOGVZOUDZ-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM CC(C)Sc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001175628799 1035054849 /nfs/dbraw/zinc/05/48/49/1035054849.db2.gz GNSQIMFDYMYESC-UHFFFAOYSA-N -1 3 302.399 3.735 20 0 DHADHM [O-]c1cccc(Nc2ccc(OC3CCOCC3)nc2)c1Cl ZINC001175730571 1035095539 /nfs/dbraw/zinc/09/55/39/1035095539.db2.gz XQDACYYFUITGQJ-UHFFFAOYSA-N -1 3 320.776 3.742 20 0 DHADHM CCOc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001175743721 1035100961 /nfs/dbraw/zinc/10/09/61/1035100961.db2.gz NZTLSHOMZJLSGL-UHFFFAOYSA-N -1 3 309.163 3.692 20 0 DHADHM Cc1ccc(CN(C(=O)c2ccc(O)cc2[O-])C(C)C)s1 ZINC000194351714 1035117807 /nfs/dbraw/zinc/11/78/07/1035117807.db2.gz DSPYCOXNLQCCSD-UHFFFAOYSA-N -1 3 305.399 3.519 20 0 DHADHM [O-]c1cccc2sc(Nc3cnn(-c4ccccc4)c3)nc21 ZINC001175791563 1035123821 /nfs/dbraw/zinc/12/38/21/1035123821.db2.gz UNZMLYZEDITNEE-UHFFFAOYSA-N -1 3 308.366 3.931 20 0 DHADHM [O-]c1cccc(Nc2cccc3c2OCC3)c1Br ZINC001176077302 1035191982 /nfs/dbraw/zinc/19/19/82/1035191982.db2.gz MPJZYXRKOLPWJV-UHFFFAOYSA-N -1 3 306.159 3.833 20 0 DHADHM COc1ccc(Nc2cccc([O-])c2Br)cc1O ZINC001176259224 1035239310 /nfs/dbraw/zinc/23/93/10/1035239310.db2.gz BLPDSQYHAWWFHJ-UHFFFAOYSA-N -1 3 310.147 3.613 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001176469067 1035274651 /nfs/dbraw/zinc/27/46/51/1035274651.db2.gz AAGFRAGGUXPMOB-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM CCOC(=O)c1nnsc1[N-]c1cc(Cl)cc(Cl)c1 ZINC001176570229 1035298862 /nfs/dbraw/zinc/29/88/62/1035298862.db2.gz DOHJCYBOWKNUAP-UHFFFAOYSA-N -1 3 318.185 3.765 20 0 DHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000668314545 1035319605 /nfs/dbraw/zinc/31/96/05/1035319605.db2.gz RUDADFZQVXDDLU-VXGBXAGGSA-N -1 3 303.402 3.634 20 0 DHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000668314542 1035319636 /nfs/dbraw/zinc/31/96/36/1035319636.db2.gz RUDADFZQVXDDLU-NEPJUHHUSA-N -1 3 303.402 3.634 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904005450 1035343396 /nfs/dbraw/zinc/34/33/96/1035343396.db2.gz RRWGYBRHCMUWOD-AUUYWEPGSA-N -1 3 324.424 3.512 20 0 DHADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc(Cl)c(C)c2)c1 ZINC000904045621 1035351270 /nfs/dbraw/zinc/35/12/70/1035351270.db2.gz KMGYWQODQBOEND-HNNXBMFYSA-N -1 3 318.804 3.657 20 0 DHADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2ccccc2F)c1C ZINC000904046127 1035352461 /nfs/dbraw/zinc/35/24/61/1035352461.db2.gz VQOLOBXTPINCTH-QGZVFWFLSA-N -1 3 301.361 3.748 20 0 DHADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1C ZINC000904046126 1035352938 /nfs/dbraw/zinc/35/29/38/1035352938.db2.gz VQOLOBXTPINCTH-KRWDZBQOSA-N -1 3 301.361 3.748 20 0 DHADHM COc1ccccc1[C@@H](NC(=O)c1ccccc1[O-])c1ccco1 ZINC000163762146 1035381819 /nfs/dbraw/zinc/38/18/19/1035381819.db2.gz CEVBBOPEHQEALC-GOSISDBHSA-N -1 3 323.348 3.513 20 0 DHADHM Cc1ccc(CCC(=O)Nc2cncc([O-])c2)c2ccccc12 ZINC001178593630 1035436096 /nfs/dbraw/zinc/43/60/96/1035436096.db2.gz DZMLIDYOEFZYFW-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1N ZINC000070439018 1035618699 /nfs/dbraw/zinc/61/86/99/1035618699.db2.gz GYQLFFKAESPMSJ-UHFFFAOYSA-N -1 3 304.415 3.501 20 0 DHADHM C[C@H](N[C@H]1CC[C@H](C(F)(F)C(=O)[O-])C1)c1c(F)cccc1F ZINC000905726370 1035630542 /nfs/dbraw/zinc/63/05/42/1035630542.db2.gz BAVLKOOWMREEAG-GUBZILKMSA-N -1 3 319.298 3.504 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C(C)C)o1 ZINC001193589894 1035671678 /nfs/dbraw/zinc/67/16/78/1035671678.db2.gz VVIMYEOKLQQTJZ-QGZVFWFLSA-N -1 3 321.442 3.524 20 0 DHADHM Cc1ccc([C@@H](C)NC(=O)c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001193757938 1035729362 /nfs/dbraw/zinc/72/93/62/1035729362.db2.gz HZKHZWOFPNFEOC-SNVBAGLBSA-N -1 3 324.302 3.605 20 0 DHADHM CC1(C)CCC(CC(=O)[N-]OCCOc2ccccc2)CC1 ZINC001180649737 1035735886 /nfs/dbraw/zinc/73/58/86/1035735886.db2.gz USQWYQDQFXSDAS-UHFFFAOYSA-N -1 3 305.418 3.720 20 0 DHADHM Cc1noc(-c2ccc(C)c(NC(=O)c3cc(C)ccc3[O-])c2)n1 ZINC000539842970 1035900275 /nfs/dbraw/zinc/90/02/75/1035900275.db2.gz GNVSNPRYWYXAPJ-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM CC1(C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000539860087 1035908900 /nfs/dbraw/zinc/90/89/00/1035908900.db2.gz GBBDMOXYTRHAQT-UHFFFAOYSA-N -1 3 309.409 3.802 20 0 DHADHM CCc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1[O-] ZINC000539874578 1035914977 /nfs/dbraw/zinc/91/49/77/1035914977.db2.gz WTGNSSJHNMCFEX-UHFFFAOYSA-N -1 3 319.351 3.862 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)(C)C)o1 ZINC000540215080 1036013308 /nfs/dbraw/zinc/01/33/08/1036013308.db2.gz BDCPROZTFFRLLB-INIZCTEOSA-N -1 3 321.442 3.962 20 0 DHADHM CC(C)(C)c1cccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1 ZINC001194781995 1036018096 /nfs/dbraw/zinc/01/80/96/1036018096.db2.gz JQCAPUMSYCETAN-UHFFFAOYSA-N -1 3 311.307 3.978 20 0 DHADHM CCc1cccc(CC)c1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194782875 1036018509 /nfs/dbraw/zinc/01/85/09/1036018509.db2.gz XWPIYXLZPMLGOD-UHFFFAOYSA-N -1 3 311.307 3.806 20 0 DHADHM O=C(Cc1ccc2[nH]c3ccccc3c2c1)Nc1cncc([O-])c1 ZINC001182064018 1036092119 /nfs/dbraw/zinc/09/21/19/1036092119.db2.gz AEGDFTHMRPKECV-UHFFFAOYSA-N -1 3 317.348 3.603 20 0 DHADHM CC(C)(C)c1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000486076364 1036111737 /nfs/dbraw/zinc/11/17/37/1036111737.db2.gz KYFQEQQMQZUPFI-SREVYHEPSA-N -1 3 301.415 3.984 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)c1 ZINC001195120086 1036141658 /nfs/dbraw/zinc/14/16/58/1036141658.db2.gz ADOSBZKHEKOCPU-UHFFFAOYSA-N -1 3 316.426 3.883 20 0 DHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC000907123359 1036150462 /nfs/dbraw/zinc/15/04/62/1036150462.db2.gz KSHUQTWUIWVLIA-QMMMGPOBSA-N -1 3 323.361 3.521 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195309781 1036215021 /nfs/dbraw/zinc/21/50/21/1036215021.db2.gz NMXBNICZJSIMGU-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM FC(F)(F)[C@H]([N-]c1nccc(-c2ccco2)n1)c1ccccn1 ZINC001168477469 1036256362 /nfs/dbraw/zinc/25/63/62/1036256362.db2.gz KTEZARWKTLBIHW-CYBMUJFWSA-N -1 3 320.274 3.847 20 0 DHADHM O=C(CCc1cccc2cnccc21)Nc1ccc(F)c([O-])c1 ZINC001182396986 1036274362 /nfs/dbraw/zinc/27/43/62/1036274362.db2.gz RJQRAYFXYFEYSD-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM Cc1ccc2c(Cc3noc(-c4ccccc4[O-])n3)c[nH]c2c1 ZINC000761903019 1036394975 /nfs/dbraw/zinc/39/49/75/1036394975.db2.gz OKSPZEFNGSWZIS-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)CNc2ccccc2)c([O-])c1 ZINC001182919732 1036473321 /nfs/dbraw/zinc/47/33/21/1036473321.db2.gz OTGDHQDZSTUOBL-AWEZNQCLSA-N -1 3 312.413 3.746 20 0 DHADHM C=Cc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC001196877659 1036630094 /nfs/dbraw/zinc/63/00/94/1036630094.db2.gz KEHAMDQCSABCPY-UHFFFAOYSA-N -1 3 317.410 3.756 20 0 DHADHM CCN(Cc1ccccn1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000350113442 1036641672 /nfs/dbraw/zinc/64/16/72/1036641672.db2.gz HFPUTBAQVJICEC-UHFFFAOYSA-N -1 3 306.365 3.603 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000153484896 1036661974 /nfs/dbraw/zinc/66/19/74/1036661974.db2.gz ZACLGMYOJFWNCQ-UHFFFAOYSA-N -1 3 315.369 3.791 20 0 DHADHM CC(C)(C)c1nc(C(=O)[N-]c2cc3ccccc3s2)no1 ZINC001196981612 1036663554 /nfs/dbraw/zinc/66/35/54/1036663554.db2.gz QVSXGRFCJBKHMO-UHFFFAOYSA-N -1 3 301.371 3.834 20 0 DHADHM O=C(/C=C\c1cccs1)Nc1ccc(Br)cc1[O-] ZINC000915198522 1036696822 /nfs/dbraw/zinc/69/68/22/1036696822.db2.gz LHJMKPUNFWPAFW-XQRVVYSFSA-N -1 3 324.199 3.868 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC001197230385 1036715216 /nfs/dbraw/zinc/71/52/16/1036715216.db2.gz UDGKYJLTQXTNBN-UHFFFAOYSA-N -1 3 313.304 3.615 20 0 DHADHM CCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000233815114 1036737661 /nfs/dbraw/zinc/73/76/61/1036737661.db2.gz GWNJXYZSXHYBSW-UHFFFAOYSA-N -1 3 309.724 3.836 20 0 DHADHM CC(C)Sc1ccccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197465019 1036777829 /nfs/dbraw/zinc/77/78/29/1036777829.db2.gz QNKRJKBTRINDFM-UHFFFAOYSA-N -1 3 322.455 3.524 20 0 DHADHM C[C@@H]1CC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251384623 1036789844 /nfs/dbraw/zinc/78/98/44/1036789844.db2.gz ZSWUOHHBXNPRPO-WOFXILAISA-N -1 3 322.257 3.706 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(C(F)F)c1 ZINC001197815604 1036886500 /nfs/dbraw/zinc/88/65/00/1036886500.db2.gz MYQXWFHVIAXYNJ-UHFFFAOYSA-N -1 3 305.280 3.785 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000488301483 1036953241 /nfs/dbraw/zinc/95/32/41/1036953241.db2.gz VRDWSPXJZGRMOJ-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM CCCN(Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000053795516 1036956073 /nfs/dbraw/zinc/95/60/73/1036956073.db2.gz WYWYEYLIZIFEEP-UHFFFAOYSA-N -1 3 320.392 3.581 20 0 DHADHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc([O-])ccc1Cl ZINC000236578217 1036968166 /nfs/dbraw/zinc/96/81/66/1036968166.db2.gz GHSOQPACPAITEB-UHFFFAOYSA-N -1 3 305.805 3.744 20 0 DHADHM O=C(N[C@@H]1CCCc2sccc21)c1cc([O-])ccc1Cl ZINC000236607842 1036968927 /nfs/dbraw/zinc/96/89/27/1036968927.db2.gz MOTRFFWOSUKXCJ-CYBMUJFWSA-N -1 3 307.802 3.915 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc(F)c(F)c1 ZINC001185059763 1037005129 /nfs/dbraw/zinc/00/51/29/1037005129.db2.gz GLEUIOVDNQYIQR-UHFFFAOYSA-N -1 3 305.240 3.857 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cc(C)ccc1F ZINC001185258412 1037084750 /nfs/dbraw/zinc/08/47/50/1037084750.db2.gz YCVJMXUBQAUHNY-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ncccc1C1CCC1 ZINC001185277720 1037090995 /nfs/dbraw/zinc/09/09/95/1037090995.db2.gz MQGXYWPWNZNCRE-UHFFFAOYSA-N -1 3 302.761 3.960 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)c([O-])c1 ZINC001152489821 1037100284 /nfs/dbraw/zinc/10/02/84/1037100284.db2.gz CYIKELZIMYEXQA-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM CCCc1ccc(C(=O)CCC(=O)[N-]OC2CCCC2)cc1 ZINC000774868803 1037128524 /nfs/dbraw/zinc/12/85/24/1037128524.db2.gz ZWERNJMKPDRSQR-UHFFFAOYSA-N -1 3 303.402 3.592 20 0 DHADHM Cc1cnn(CCCCCOC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775932804 1037195387 /nfs/dbraw/zinc/19/53/87/1037195387.db2.gz KTKQMTZCZKOAQZ-UHFFFAOYSA-N -1 3 322.792 3.578 20 0 DHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cccc(F)c2C)cc1F ZINC001185836709 1037246476 /nfs/dbraw/zinc/24/64/76/1037246476.db2.gz UMGAMJFSROFSMT-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM COc1ccccc1CNC(=O)Nc1cc2ccccc2cc1[O-] ZINC001186135832 1037322694 /nfs/dbraw/zinc/32/26/94/1037322694.db2.gz QUAPOLZJHSJHMM-UHFFFAOYSA-N -1 3 322.364 3.876 20 0 DHADHM CC(C)c1oncc1C(=O)[N-]c1nc(F)c(F)c(Cl)c1F ZINC001199743661 1037325068 /nfs/dbraw/zinc/32/50/68/1037325068.db2.gz KVVIZMMONLBHRX-UHFFFAOYSA-N -1 3 319.670 3.516 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)c1 ZINC000055663450 1037455582 /nfs/dbraw/zinc/45/55/82/1037455582.db2.gz JQGMONHYFMLPFZ-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H](C)c4ccccc43)c[n-]c12 ZINC000776123306 1037460779 /nfs/dbraw/zinc/46/07/79/1037460779.db2.gz JVCCEVRKTBFVPE-ZDUSSCGKSA-N -1 3 318.376 3.600 20 0 DHADHM CCCCCCNC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001200942094 1037482318 /nfs/dbraw/zinc/48/23/18/1037482318.db2.gz VKVNIAKYSUOOBG-UHFFFAOYSA-N -1 3 309.460 3.869 20 0 DHADHM CCOc1ccc(-c2nnc(-c3ccc([O-])c(C(C)=O)c3)o2)cc1 ZINC001252050590 1037503967 /nfs/dbraw/zinc/50/39/67/1037503967.db2.gz REISPLMVDJOKNS-UHFFFAOYSA-N -1 3 324.336 3.711 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(F)c(C)c1 ZINC001201039143 1037518230 /nfs/dbraw/zinc/51/82/30/1037518230.db2.gz LHIHBIUERCHVBY-UHFFFAOYSA-N -1 3 318.373 3.851 20 0 DHADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001187137860 1037581492 /nfs/dbraw/zinc/58/14/92/1037581492.db2.gz KMGHSCAWBWCQDJ-QWRGUYRKSA-N -1 3 321.895 3.957 20 0 DHADHM CCOc1ncc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001201512795 1037735007 /nfs/dbraw/zinc/73/50/07/1037735007.db2.gz DQOFLSIEJCECED-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM [O-]c1cc(F)cc(CNCc2coc(-c3cccs3)n2)c1 ZINC000185492017 1037808555 /nfs/dbraw/zinc/80/85/55/1037808555.db2.gz DBLOSIRQRJGMGR-UHFFFAOYSA-N -1 3 304.346 3.538 20 0 DHADHM CCCC1(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCC1 ZINC001188175077 1037836699 /nfs/dbraw/zinc/83/66/99/1037836699.db2.gz PAJVPUNQFINEOZ-UHFFFAOYSA-N -1 3 317.401 3.522 20 0 DHADHM O=c1cc(Nc2cc3ccccc3[nH]c2=O)[n-]n1-c1ccccc1 ZINC001201753671 1037877596 /nfs/dbraw/zinc/87/75/96/1037877596.db2.gz ZYHASFQOLRVXHO-UHFFFAOYSA-N -1 3 318.336 3.575 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1n[nH]c2ccccc21 ZINC000125279163 1037929856 /nfs/dbraw/zinc/92/98/56/1037929856.db2.gz RHKGUJCJDOMSCG-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1ccc2[nH]cc(CN(C)C(=O)c3c(C)cccc3[O-])c2c1 ZINC001188647487 1037943040 /nfs/dbraw/zinc/94/30/40/1037943040.db2.gz XPQDNVLDKGLLJT-UHFFFAOYSA-N -1 3 308.381 3.763 20 0 DHADHM Cc1[nH]c2ccc(CNC(=O)c3c(C)cccc3[O-])cc2c1C ZINC001188655290 1037944276 /nfs/dbraw/zinc/94/42/76/1037944276.db2.gz NEGPUZONPIPQEO-UHFFFAOYSA-N -1 3 308.381 3.729 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2ncnc(Cl)c2c1 ZINC001188655662 1037944813 /nfs/dbraw/zinc/94/48/13/1037944813.db2.gz UMGPFIMTLXKCKU-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC001188659875 1037946526 /nfs/dbraw/zinc/94/65/26/1037946526.db2.gz QKNUUEDOAKLJMU-AWEZNQCLSA-N -1 3 309.287 3.734 20 0 DHADHM O=C(Nc1ccccc1)Nc1c([O-])cccc1Br ZINC001201955187 1037951239 /nfs/dbraw/zinc/95/12/39/1037951239.db2.gz UTXBCXNCAYNGOM-UHFFFAOYSA-N -1 3 307.147 3.799 20 0 DHADHM Cc1c(F)cccc1NC(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001189024445 1038033723 /nfs/dbraw/zinc/03/37/23/1038033723.db2.gz SZXSYGMQSZHDSQ-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM Cc1ccc(F)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126670257 1038086344 /nfs/dbraw/zinc/08/63/44/1038086344.db2.gz GKSFOKNDYRSFRV-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C([N-]c1cc(-c2ccc(F)c(F)c2)no1)Nc1nccs1 ZINC001189343222 1038133633 /nfs/dbraw/zinc/13/36/33/1038133633.db2.gz VJBMKTHFENHUOV-UHFFFAOYSA-N -1 3 322.296 3.720 20 0 DHADHM Cc1csc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1 ZINC001189748458 1038205700 /nfs/dbraw/zinc/20/57/00/1038205700.db2.gz JXBOADJCPJNSAC-UHFFFAOYSA-N -1 3 317.288 3.913 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC000588016241 1038217958 /nfs/dbraw/zinc/21/79/58/1038217958.db2.gz RCDAQEVXZMRPOI-UHFFFAOYSA-N -1 3 311.357 3.801 20 0 DHADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)c2cc(Cl)ccc2O1 ZINC001205485794 1038252509 /nfs/dbraw/zinc/25/25/09/1038252509.db2.gz FFCFKVHMOUMDAI-JTQLQIEISA-N -1 3 307.752 3.972 20 0 DHADHM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1 ZINC001190460086 1038323402 /nfs/dbraw/zinc/32/34/02/1038323402.db2.gz DUTOFXFJZKPFIU-UHFFFAOYSA-N -1 3 313.422 3.854 20 0 DHADHM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2F)cc1 ZINC001191234162 1038473464 /nfs/dbraw/zinc/47/34/64/1038473464.db2.gz ZNIJSQDLOXWHAU-UHFFFAOYSA-N -1 3 322.405 3.673 20 0 DHADHM Cc1ccc(F)cc1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001191378630 1038492129 /nfs/dbraw/zinc/49/21/29/1038492129.db2.gz MSVIECXOWYEOSW-UHFFFAOYSA-N -1 3 303.215 3.785 20 0 DHADHM CSCc1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000572821816 1038504589 /nfs/dbraw/zinc/50/45/89/1038504589.db2.gz ZDONESYWECSHPJ-SNAWJCMRSA-N -1 3 305.428 3.550 20 0 DHADHM O=C([N-]c1cc2ccccc2s1)c1cnc(Br)o1 ZINC001191713628 1038531489 /nfs/dbraw/zinc/53/14/89/1038531489.db2.gz NWQIWIMTDTWUMQ-UHFFFAOYSA-N -1 3 323.171 3.904 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1c[nH]cc1-c1ccccc1 ZINC001191788730 1038548207 /nfs/dbraw/zinc/54/82/07/1038548207.db2.gz ZFUFMCSQAYDEBW-UHFFFAOYSA-N -1 3 320.348 3.842 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(C1CC1)C1CC1 ZINC000628815615 1038572419 /nfs/dbraw/zinc/57/24/19/1038572419.db2.gz RAQMYUOWSWPKSD-UHFFFAOYSA-N -1 3 309.365 3.952 20 0 DHADHM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc([O-])c(F)c1 ZINC001192176446 1038604479 /nfs/dbraw/zinc/60/44/79/1038604479.db2.gz MEIUSAGDSKSMFH-UHFFFAOYSA-N -1 3 312.247 3.777 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2CC(C)(C)C)sc1Cl ZINC001192176024 1038604906 /nfs/dbraw/zinc/60/49/06/1038604906.db2.gz CVVWDRLZBBGFBE-VHSXEESVSA-N -1 3 321.895 3.813 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001192325946 1038630675 /nfs/dbraw/zinc/63/06/75/1038630675.db2.gz KIGRFXWXQALQNK-HNNXBMFYSA-N -1 3 324.424 3.714 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC001192457474 1038663438 /nfs/dbraw/zinc/66/34/38/1038663438.db2.gz CXIXXZKEKGHEDT-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM O=C([N-]c1cc(Cl)cc2ncoc21)c1c(F)ccc(O)c1F ZINC001192539156 1038678783 /nfs/dbraw/zinc/67/87/83/1038678783.db2.gz GMWNJOJXOUTFTO-UHFFFAOYSA-N -1 3 324.670 3.717 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccnc2Oc2ccccc2)n1 ZINC001192699825 1038693570 /nfs/dbraw/zinc/69/35/70/1038693570.db2.gz NKCCXDFMLQQDSV-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)n(C(C)(C)C)n1 ZINC001192728007 1038693596 /nfs/dbraw/zinc/69/35/96/1038693596.db2.gz LIVMBCGYHAUUOM-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CC[C@H](CSC)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598696638 1038843760 /nfs/dbraw/zinc/84/37/60/1038843760.db2.gz RZJAVWZJPHYRJA-LLVKDONJSA-N -1 3 321.364 3.625 20 0 DHADHM COc1cc(C(=O)/C=C/c2cc(C)c(OC)c(C)c2)ccc1[O-] ZINC000063277134 1040171595 /nfs/dbraw/zinc/17/15/95/1040171595.db2.gz XTIDXXYORIPCOK-FNORWQNLSA-N -1 3 312.365 3.922 20 0 DHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608004376 1040348537 /nfs/dbraw/zinc/34/85/37/1040348537.db2.gz HKNUWERKKQZFIO-NSHDSACASA-N -1 3 323.389 3.846 20 0 DHADHM CCCSCc1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC000596629783 1040529513 /nfs/dbraw/zinc/52/95/13/1040529513.db2.gz OGBRRBWLJQXLKK-UHFFFAOYSA-N -1 3 311.414 3.572 20 0 DHADHM CCCSCc1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC000596629783 1040529531 /nfs/dbraw/zinc/52/95/31/1040529531.db2.gz OGBRRBWLJQXLKK-UHFFFAOYSA-N -1 3 311.414 3.572 20 0 DHADHM [O-]c1cc(CN2CC[C@](CF)(C(F)(F)F)C2)ccc1Cl ZINC001231733083 1040567373 /nfs/dbraw/zinc/56/73/73/1040567373.db2.gz LXUCJWKFSIPSMY-GFCCVEGCSA-N -1 3 311.706 3.770 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(CC)s2)c1F ZINC000534034405 1040684034 /nfs/dbraw/zinc/68/40/34/1040684034.db2.gz XBRJZZVFICEYPL-UHFFFAOYSA-N -1 3 312.341 3.635 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000456139381 1040715371 /nfs/dbraw/zinc/71/53/71/1040715371.db2.gz XPAVQUNKWWQZED-ZYHUDNBSSA-N -1 3 315.335 3.758 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000092429890 185317826 /nfs/dbraw/zinc/31/78/26/185317826.db2.gz PSHLHKLHSSNVPX-HOCLYGCPSA-N -1 3 315.413 3.536 20 0 DHADHM CCOc1c(Cl)cccc1CN[C@@H](C)CCCCC(=O)[O-] ZINC000417545366 334961361 /nfs/dbraw/zinc/96/13/61/334961361.db2.gz JKFDJYPSPSKBCB-LBPRGKRZSA-N -1 3 313.825 3.862 20 0 DHADHM O=C([C@@H]1CCCc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000320392543 334962062 /nfs/dbraw/zinc/96/20/62/334962062.db2.gz AIFROKBAYUNFJT-QGZVFWFLSA-N -1 3 307.393 3.792 20 0 DHADHM Cc1sccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000417574197 334994416 /nfs/dbraw/zinc/99/44/16/334994416.db2.gz RDWWNHUDTRUYEV-AWEZNQCLSA-N -1 3 309.818 3.934 20 0 DHADHM CC(C)(CCCNCc1cnc(C2CCCC2)s1)C(=O)[O-] ZINC000417575154 334995075 /nfs/dbraw/zinc/99/50/75/334995075.db2.gz XWLRMOVQHOVTEN-UHFFFAOYSA-N -1 3 310.463 3.781 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CNC[C@H](C)C(=O)[O-] ZINC000417580895 334998036 /nfs/dbraw/zinc/99/80/36/334998036.db2.gz FACIJPSNHDPNBY-JTQLQIEISA-N -1 3 301.839 3.651 20 0 DHADHM CC(C)c1ncc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000182905613 335004597 /nfs/dbraw/zinc/00/45/97/335004597.db2.gz WTUWWMCMDMDQBL-UHFFFAOYSA-N -1 3 302.399 3.565 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(C(F)(F)F)ccc1Cl ZINC000417600031 335005466 /nfs/dbraw/zinc/00/54/66/335005466.db2.gz CTKGHEVYKJJPCF-SFYZADRCSA-N -1 3 309.715 3.558 20 0 DHADHM CC(C)(C)c1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000417618148 335012553 /nfs/dbraw/zinc/01/25/53/335012553.db2.gz CRCBDHIDCPVDON-VIFPVBQESA-N -1 3 323.380 3.788 20 0 DHADHM C[C@@H](CC(C)(C)NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000417638462 335022273 /nfs/dbraw/zinc/02/22/73/335022273.db2.gz PMDWTOVLCGUJNP-LBPRGKRZSA-N -1 3 318.442 3.789 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000135403169 335033629 /nfs/dbraw/zinc/03/36/29/335033629.db2.gz HSNXXXWDMLHMOY-ZJUUUORDSA-N -1 3 317.307 3.708 20 0 DHADHM O=C([O-])[C@@H](NCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000037966580 182943891 /nfs/dbraw/zinc/94/38/91/182943891.db2.gz LYZNVADVMMJFQN-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)cc2[O-])s1 ZINC000106710770 194245581 /nfs/dbraw/zinc/24/55/81/194245581.db2.gz HZKZEFRSCMKDMB-LLVKDONJSA-N -1 3 304.415 3.607 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc2c(c1)CCCC2 ZINC000060141121 184144673 /nfs/dbraw/zinc/14/46/73/184144673.db2.gz WIOICAGXBIMIFZ-UHFFFAOYSA-N -1 3 323.364 3.644 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1c(Cl)oc2ccccc21 ZINC000417694933 335054026 /nfs/dbraw/zinc/05/40/26/335054026.db2.gz AMHSCCFUJNJBOI-ZDUSSCGKSA-N -1 3 307.777 3.819 20 0 DHADHM CCc1c(C)sc2[n-]c(CO[C@H]3CCCC[C@H]3C)nc(=O)c12 ZINC000063579515 335056014 /nfs/dbraw/zinc/05/60/14/335056014.db2.gz PYAWTWXEIRZCQB-MFKMUULPSA-N -1 3 320.458 3.951 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1csc(Cl)c1Cl ZINC000417699213 335063141 /nfs/dbraw/zinc/06/31/41/335063141.db2.gz GUOGFKXJGSDBEK-SECBINFHSA-N -1 3 308.230 3.788 20 0 DHADHM Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1[O-] ZINC000272438637 130030494 /nfs/dbraw/zinc/03/04/94/130030494.db2.gz MICPQRFJNJCOFX-QGZVFWFLSA-N -1 3 310.397 3.853 20 0 DHADHM Cc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)ccc1[O-] ZINC000272523074 130036649 /nfs/dbraw/zinc/03/66/49/130036649.db2.gz WBRYGTDBIAGAFX-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1nc(Cc2ccccc2)cs1 ZINC000273080417 130087865 /nfs/dbraw/zinc/08/78/65/130087865.db2.gz CQCWDZWPMURIRX-UHFFFAOYSA-N -1 3 317.414 3.730 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1nc(Cc2ccccc2)cs1 ZINC000273080417 130087868 /nfs/dbraw/zinc/08/78/68/130087868.db2.gz CQCWDZWPMURIRX-UHFFFAOYSA-N -1 3 317.414 3.730 20 0 DHADHM [O-]c1c(-c2nc(CCC(F)(F)F)no2)ccc2c1CCCC2 ZINC000273638542 130148601 /nfs/dbraw/zinc/14/86/01/130148601.db2.gz BPLINNFYEDXMMC-UHFFFAOYSA-N -1 3 312.291 3.816 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4CCCCS4)no3)[n-]n2)c1 ZINC000273957143 130191663 /nfs/dbraw/zinc/19/16/63/130191663.db2.gz JHBZATYUZJLELZ-GFCCVEGCSA-N -1 3 302.359 3.678 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4CCCCS4)no3)n[n-]2)c1 ZINC000273957143 130191664 /nfs/dbraw/zinc/19/16/64/130191664.db2.gz JHBZATYUZJLELZ-GFCCVEGCSA-N -1 3 302.359 3.678 20 0 DHADHM CCS[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277812200 130640980 /nfs/dbraw/zinc/64/09/80/130640980.db2.gz WJOZHRAUVBQXMI-JQWIXIFHSA-N -1 3 313.850 3.840 20 0 DHADHM C[C@H](C1CCCCC1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000283725078 131016807 /nfs/dbraw/zinc/01/68/07/131016807.db2.gz WGYYIJKVAPLYDO-GFCCVEGCSA-N -1 3 308.397 3.642 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000283861475 131029682 /nfs/dbraw/zinc/02/96/82/131029682.db2.gz HRBROERBNNFQJB-GFCCVEGCSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000340266312 131309799 /nfs/dbraw/zinc/30/97/99/131309799.db2.gz XDXSWZPPKKJOFU-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM CC(C)CON=C([O-])Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000288942768 131346339 /nfs/dbraw/zinc/34/63/39/131346339.db2.gz WLTDXJFNVNKHQN-SNVBAGLBSA-N -1 3 320.311 3.725 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000288942768 131346340 /nfs/dbraw/zinc/34/63/40/131346340.db2.gz WLTDXJFNVNKHQN-SNVBAGLBSA-N -1 3 320.311 3.725 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1Cc2ccccc21 ZINC000340311984 131373093 /nfs/dbraw/zinc/37/30/93/131373093.db2.gz DXIWKLSIDHZIRQ-GFCCVEGCSA-N -1 3 307.271 3.689 20 0 DHADHM [O-]c1cc(CNc2ccc(CCO)cc2)cc(C(F)(F)F)c1 ZINC000289468703 131388855 /nfs/dbraw/zinc/38/88/55/131388855.db2.gz IWESGAPJRVFAQZ-UHFFFAOYSA-N -1 3 311.303 3.558 20 0 DHADHM O=C([N-]c1cc(Cl)ccc1F)c1cc(-c2cccnc2)on1 ZINC000340578112 132028498 /nfs/dbraw/zinc/02/84/98/132028498.db2.gz NCCSGSXFCXCVKS-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM CC(C)COC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000298988704 132084918 /nfs/dbraw/zinc/08/49/18/132084918.db2.gz QEQZYMBKHXCMDB-UHFFFAOYSA-N -1 3 319.445 3.793 20 0 DHADHM O=C([O-])CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000340675701 132144517 /nfs/dbraw/zinc/14/45/17/132144517.db2.gz HJZFRUIYTCFHSQ-UHFFFAOYSA-N -1 3 313.275 3.530 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000022574669 335085198 /nfs/dbraw/zinc/08/51/98/335085198.db2.gz YDUVHRWKGKOEBZ-UHFFFAOYSA-N -1 3 311.357 3.801 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3cscc3s2)n1 ZINC000529016854 429950021 /nfs/dbraw/zinc/95/00/21/429950021.db2.gz DDQSDIQFDCNLRU-UHFFFAOYSA-N -1 3 306.416 3.562 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2nccc3ccsc32)s1 ZINC000624516870 435383274 /nfs/dbraw/zinc/38/32/74/435383274.db2.gz RNKNQQXSKPMFGE-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM CC(C)OCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448789423 332782743 /nfs/dbraw/zinc/78/27/43/332782743.db2.gz AQJZJBMYKJGUAT-UHFFFAOYSA-N -1 3 317.360 3.638 20 0 DHADHM O=[S@@](Cc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000108085857 331503535 /nfs/dbraw/zinc/50/35/35/331503535.db2.gz MQLXVDJBMZWYJU-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM Cc1ccc([O-])c(CNCc2cc(Cl)sc2Cl)n1 ZINC000312774607 331735812 /nfs/dbraw/zinc/73/58/12/331735812.db2.gz WQIAYEZIEFTBIJ-UHFFFAOYSA-N -1 3 303.214 3.754 20 0 DHADHM O=C([O-])C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000086727568 331757548 /nfs/dbraw/zinc/75/75/48/331757548.db2.gz GUPIIGUSXLRFKV-UHFFFAOYSA-N -1 3 319.348 3.595 20 0 DHADHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426766259 331767577 /nfs/dbraw/zinc/76/75/77/331767577.db2.gz YOLLQVGEURWBSU-KRWDZBQOSA-N -1 3 301.361 3.865 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000557526968 331798055 /nfs/dbraw/zinc/79/80/55/331798055.db2.gz HIWMILJIEJSACY-OAHLLOKOSA-N -1 3 301.773 3.941 20 0 DHADHM CSc1cccc(F)c1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000557789932 331816157 /nfs/dbraw/zinc/81/61/57/331816157.db2.gz HCELKHSKSFOFFV-UHFFFAOYSA-N -1 3 309.391 3.529 20 0 DHADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])n1cccc1 ZINC000517865833 331974993 /nfs/dbraw/zinc/97/49/93/331974993.db2.gz QJYNYEREIJDIEF-JTQLQIEISA-N -1 3 323.190 3.546 20 0 DHADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1Br ZINC000084831124 332006816 /nfs/dbraw/zinc/00/68/16/332006816.db2.gz BPWMOQBPZCFKAS-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)cc2cccnc21 ZINC000159411956 332099238 /nfs/dbraw/zinc/09/92/38/332099238.db2.gz BQIORVQBEPVJGF-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM COc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426808630 332152016 /nfs/dbraw/zinc/15/20/16/332152016.db2.gz AIEHUODAWUAIDD-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000426795875 332154476 /nfs/dbraw/zinc/15/44/76/332154476.db2.gz ZBQCIJJMPVSCRD-INIZCTEOSA-N -1 3 321.779 3.957 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000426798759 332155197 /nfs/dbraw/zinc/15/51/97/332155197.db2.gz GGLDPHOEAWCHTJ-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000426827558 332156084 /nfs/dbraw/zinc/15/60/84/332156084.db2.gz SLZAOWGLSXRJFU-MRXNPFEDSA-N -1 3 312.344 3.613 20 0 DHADHM CCC[C@@H](C)C[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426821168 332157584 /nfs/dbraw/zinc/15/75/84/332157584.db2.gz QLMUNSFBHXTYGT-YGRLFVJLSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000426820003 332157686 /nfs/dbraw/zinc/15/76/86/332157686.db2.gz XDODYGMMVUMVHN-INIZCTEOSA-N -1 3 303.789 3.818 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc2cccnc12 ZINC000426821612 332158018 /nfs/dbraw/zinc/15/80/18/332158018.db2.gz VFNDJMFCYUPZHT-GOSISDBHSA-N -1 3 324.355 3.598 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1c1ccccc1 ZINC000427036360 332165007 /nfs/dbraw/zinc/16/50/07/332165007.db2.gz BEIYPIAOGVJYEC-HNNXBMFYSA-N -1 3 316.788 3.653 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)ns1)c1ncc(F)cc1F ZINC000428721674 332166431 /nfs/dbraw/zinc/16/64/31/332166431.db2.gz ULMZUHSVTFHQCW-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000104862578 332248651 /nfs/dbraw/zinc/24/86/51/332248651.db2.gz ZBONGAGYQFABAG-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])C1(Oc2ccc(Cl)cc2)CC1 ZINC000559579243 332272952 /nfs/dbraw/zinc/27/29/52/332272952.db2.gz GHMDZTPDWHRXQU-UHFFFAOYSA-N -1 3 321.735 3.735 20 0 DHADHM Cc1ccc(NC(=O)c2ccccc2N2CCCCC2)c([O-])c1 ZINC000559628100 332275120 /nfs/dbraw/zinc/27/51/20/332275120.db2.gz SGXRULJLGPTKIL-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1[O-] ZINC000560456833 332340697 /nfs/dbraw/zinc/34/06/97/332340697.db2.gz IADDFIIYUZWJOT-CMPLNLGQSA-N -1 3 315.335 3.758 20 0 DHADHM CC1(C)CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000574332916 332346525 /nfs/dbraw/zinc/34/65/25/332346525.db2.gz XMSSTRHWCRQNAQ-LBPRGKRZSA-N -1 3 301.308 3.563 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(Cc3ccccc3)CCC2)c1[O-] ZINC000560551478 332358018 /nfs/dbraw/zinc/35/80/18/332358018.db2.gz YORMHSMCXHKCPL-UHFFFAOYSA-N -1 3 323.392 3.946 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000560610950 332369544 /nfs/dbraw/zinc/36/95/44/332369544.db2.gz UXKCMQWVJRKMPS-RRFJBIMHSA-N -1 3 305.393 3.754 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000560636488 332371884 /nfs/dbraw/zinc/37/18/84/332371884.db2.gz XFEDBYJQLSYIOS-OAHLLOKOSA-N -1 3 317.772 3.641 20 0 DHADHM CC(C)c1cc(C(=O)Nc2c([O-])cccc2Cl)cc(=O)[nH]1 ZINC000560819786 332388425 /nfs/dbraw/zinc/38/84/25/332388425.db2.gz JEOSKNKHLGQGTR-UHFFFAOYSA-N -1 3 306.749 3.522 20 0 DHADHM C[C@@H]1CCc2c(sc3[n-]c(-c4cncs4)nc(=O)c23)C1 ZINC000408355016 332491690 /nfs/dbraw/zinc/49/16/90/332491690.db2.gz PJOHCFGGLGSGRE-SSDOTTSWSA-N -1 3 303.412 3.645 20 0 DHADHM CC[C@](C)(NC(=O)c1cccc(C)c1[O-])c1nc(C)cs1 ZINC000151127264 332528156 /nfs/dbraw/zinc/52/81/56/332528156.db2.gz SGKUAPAEGAJUSV-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM [O-]c1cccnc1CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000562475400 332597000 /nfs/dbraw/zinc/59/70/00/332597000.db2.gz HFQFKWUBUCCMCW-UHFFFAOYSA-N -1 3 324.409 3.538 20 0 DHADHM CCOc1cc(CN2C[C@@H](C)S[C@H](C)C2)cc(Cl)c1[O-] ZINC000562679136 332616125 /nfs/dbraw/zinc/61/61/25/332616125.db2.gz NFPDBVGYJJGMFA-GHMZBOCLSA-N -1 3 315.866 3.770 20 0 DHADHM CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000151814392 332620489 /nfs/dbraw/zinc/62/04/89/332620489.db2.gz LFANLOMJZPZQLM-DZGCQCFKSA-N -1 3 308.397 3.642 20 0 DHADHM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000151814227 332620533 /nfs/dbraw/zinc/62/05/33/332620533.db2.gz LFANLOMJZPZQLM-ZFWWWQNUSA-N -1 3 308.397 3.642 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000572733786 332678596 /nfs/dbraw/zinc/67/85/96/332678596.db2.gz MJJZORYLDDDFRY-HTQZYQBOSA-N -1 3 307.699 3.963 20 0 DHADHM CC1(C)Cc2cc(C(=O)N3CCCc4cccc([O-])c43)ccc2O1 ZINC000570046923 332706258 /nfs/dbraw/zinc/70/62/58/332706258.db2.gz MQZWINSHVJSNLS-UHFFFAOYSA-N -1 3 323.392 3.699 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cccs1 ZINC000163740289 332968526 /nfs/dbraw/zinc/96/85/26/332968526.db2.gz QWIWAWKQGUBPNU-CYBMUJFWSA-N -1 3 320.389 3.640 20 0 DHADHM CCc1ncc(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000065067684 332982536 /nfs/dbraw/zinc/98/25/36/332982536.db2.gz MYXAIHRMWWJTMJ-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM CC(=O)c1cccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000580213578 333013203 /nfs/dbraw/zinc/01/32/03/333013203.db2.gz AZPLADAFGCKKTJ-OALUTQOASA-N -1 3 323.392 3.680 20 0 DHADHM Cc1c(NC(=O)c2cccc3nn[n-]c32)cccc1C(F)(F)F ZINC000188418479 333045863 /nfs/dbraw/zinc/04/58/63/333045863.db2.gz LGHCCXBIJYKQRW-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1c(NC(=O)c2cccc3[n-]nnc32)cccc1C(F)(F)F ZINC000188418479 333045865 /nfs/dbraw/zinc/04/58/65/333045865.db2.gz LGHCCXBIJYKQRW-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1c(NC(=O)c2cccc3n[n-]nc32)cccc1C(F)(F)F ZINC000188418479 333045866 /nfs/dbraw/zinc/04/58/66/333045866.db2.gz LGHCCXBIJYKQRW-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189278590 333067917 /nfs/dbraw/zinc/06/79/17/333067917.db2.gz USDXXWHOWILDRA-SNVBAGLBSA-N -1 3 301.308 3.673 20 0 DHADHM CCC(C)(C)[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000516651196 333110269 /nfs/dbraw/zinc/11/02/69/333110269.db2.gz UFYMIGWFTVISNU-GFCCVEGCSA-N -1 3 304.217 3.972 20 0 DHADHM CC(C)c1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC000514337506 333115322 /nfs/dbraw/zinc/11/53/22/333115322.db2.gz LFENMJPLEDIBDL-MRXNPFEDSA-N -1 3 309.417 3.659 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1F ZINC000460829802 333145968 /nfs/dbraw/zinc/14/59/68/333145968.db2.gz GNYSAJOOCSHBEP-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM CC[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000580319441 333146593 /nfs/dbraw/zinc/14/65/93/333146593.db2.gz LUTIJFVFVTXEED-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1oc(CN(C)[C@@H](C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000580319554 333146819 /nfs/dbraw/zinc/14/68/19/333146819.db2.gz PIAMCIVSSNHTEY-ZDUSSCGKSA-N -1 3 301.386 3.658 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccc(CC(F)(F)F)cc1 ZINC000182046104 333149086 /nfs/dbraw/zinc/14/90/86/333149086.db2.gz HYPJVVQZHKLJCJ-ZZXKWVIFSA-N -1 3 322.286 3.544 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)cc(F)c1 ZINC000182157270 333149991 /nfs/dbraw/zinc/14/99/91/333149991.db2.gz VQDSPAKRMKKWJD-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000387813831 333178274 /nfs/dbraw/zinc/17/82/74/333178274.db2.gz SHEZHWJGNIMODG-LLVKDONJSA-N -1 3 313.344 3.536 20 0 DHADHM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000582068155 333196921 /nfs/dbraw/zinc/19/69/21/333196921.db2.gz ZDXRKORZUCBOEV-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM CC(C)(C)OC(=O)Nc1ccc(NC([O-])=NOC2CCC2)cc1 ZINC000497185381 333218234 /nfs/dbraw/zinc/21/82/34/333218234.db2.gz QUIHUNDGQBWYAC-UHFFFAOYSA-N -1 3 321.377 3.639 20 0 DHADHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)[N-]OC2CCC2)cc1 ZINC000497185381 333218236 /nfs/dbraw/zinc/21/82/36/333218236.db2.gz QUIHUNDGQBWYAC-UHFFFAOYSA-N -1 3 321.377 3.639 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C)c1 ZINC000497949321 333313938 /nfs/dbraw/zinc/31/39/38/333313938.db2.gz LPRMMRBXPXBTDW-UHFFFAOYSA-N -1 3 314.410 3.894 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000531195832 333330100 /nfs/dbraw/zinc/33/01/00/333330100.db2.gz JAMDMJRBMPSZBQ-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000531313067 333343463 /nfs/dbraw/zinc/34/34/63/333343463.db2.gz AACNXKNKXGMIIB-QMMMGPOBSA-N -1 3 311.168 3.836 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1Br ZINC000531373402 333347028 /nfs/dbraw/zinc/34/70/28/333347028.db2.gz WEBOWRVSUZVJEO-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1ccc2c(CCC(=O)Nc3cc(F)ccc3[O-])c[nH]c2c1 ZINC000531373925 333347166 /nfs/dbraw/zinc/34/71/66/333347166.db2.gz ZNFARQBIUOSGJD-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(F)cc2OC(F)F)c([O-])c1 ZINC000531396648 333349626 /nfs/dbraw/zinc/34/96/26/333349626.db2.gz OGONCABSAGHKQI-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000343341258 335135808 /nfs/dbraw/zinc/13/58/08/335135808.db2.gz LRSPSWAHTQYJAW-GXSJLCMTSA-N -1 3 317.307 3.555 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(C)c(F)c3)no2)c1[O-] ZINC000184839891 333368109 /nfs/dbraw/zinc/36/81/09/333368109.db2.gz JVVKCBBDFSRCSR-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM O=C(NC1CCCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186916417 333381284 /nfs/dbraw/zinc/38/12/84/333381284.db2.gz RBYKJPQOQIWLAJ-UHFFFAOYSA-N -1 3 323.392 3.686 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000522776368 333388750 /nfs/dbraw/zinc/38/87/50/333388750.db2.gz VLEWTAPNXWBPIO-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1Cl ZINC000063063970 333393471 /nfs/dbraw/zinc/39/34/71/333393471.db2.gz HOBXMPXNJVQRMG-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000124755445 335155007 /nfs/dbraw/zinc/15/50/07/335155007.db2.gz SYEZGFBZFVUXDW-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])ccc2Cl)o1 ZINC000571210787 333684726 /nfs/dbraw/zinc/68/47/26/333684726.db2.gz MVPRNCAALLWKHO-CABZTGNLSA-N -1 3 305.761 3.692 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1[O-] ZINC000412107225 333729841 /nfs/dbraw/zinc/72/98/41/333729841.db2.gz JOCHNKGQLCWGFK-QZTJIDSGSA-N -1 3 323.392 3.661 20 0 DHADHM CC(=O)c1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000412319423 333747007 /nfs/dbraw/zinc/74/70/07/333747007.db2.gz JJMRFZZMEXMDER-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 ZINC000186322173 335157346 /nfs/dbraw/zinc/15/73/46/335157346.db2.gz ZQEQNAFXSNFVRT-GFCCVEGCSA-N -1 3 311.381 3.814 20 0 DHADHM CCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)ccc1[O-] ZINC000571428025 333789230 /nfs/dbraw/zinc/78/92/30/333789230.db2.gz NAWKCCGXHLLDDJ-LLVKDONJSA-N -1 3 317.360 3.593 20 0 DHADHM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000412763938 333795558 /nfs/dbraw/zinc/79/55/58/333795558.db2.gz GUVCPTDGYMSWFP-VIFPVBQESA-N -1 3 301.308 3.672 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)CC(F)F ZINC000413834437 333874317 /nfs/dbraw/zinc/87/43/17/333874317.db2.gz JQCMTHXHILIEHD-LURJTMIESA-N -1 3 322.149 3.693 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1noc2c1CCCC2 ZINC000413890510 333878260 /nfs/dbraw/zinc/87/82/60/333878260.db2.gz CSOXPGFFKMGWQY-UHFFFAOYSA-N -1 3 302.399 3.836 20 0 DHADHM CCC[C@@H](CC)[S@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414233888 333927390 /nfs/dbraw/zinc/92/73/90/333927390.db2.gz BUUHVKYBFPLGOK-IVZQSRNASA-N -1 3 318.442 3.677 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 ZINC000436872754 334013966 /nfs/dbraw/zinc/01/39/66/334013966.db2.gz UYZKCEHGFRZHPV-KBPBESRZSA-N -1 3 314.291 3.992 20 0 DHADHM CC(C)[C@H]1C[C@H](CC(=O)N2CCCc3cccc([O-])c32)CCO1 ZINC000272870159 334040516 /nfs/dbraw/zinc/04/05/16/334040516.db2.gz TXNNEZZOVKDOQH-RHSMWYFYSA-N -1 3 317.429 3.513 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1 ZINC000414635879 334049016 /nfs/dbraw/zinc/04/90/16/334049016.db2.gz INYGKAKPUDUADI-LBPRGKRZSA-N -1 3 307.802 3.877 20 0 DHADHM CCc1ccc(-c2ccc(CN(C)C[C@H](C)C(=O)[O-])o2)cc1 ZINC000414654882 334055759 /nfs/dbraw/zinc/05/57/59/334055759.db2.gz JWSQKCGYCGMBOA-ZDUSSCGKSA-N -1 3 301.386 3.662 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1C ZINC000276381248 334076723 /nfs/dbraw/zinc/07/67/23/334076723.db2.gz SNMJPXKPFVXDGO-GFCCVEGCSA-N -1 3 315.335 3.812 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1F ZINC000293742765 334201661 /nfs/dbraw/zinc/20/16/61/334201661.db2.gz XKEZLYJEZVDOKI-GUYCJALGSA-N -1 3 319.351 3.680 20 0 DHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1[O-] ZINC000440321297 334274677 /nfs/dbraw/zinc/27/46/77/334274677.db2.gz TUIKJHZTWJQLOS-NSHDSACASA-N -1 3 324.163 3.563 20 0 DHADHM [O-]C(=NOCc1ccc(F)cc1)Nc1ccc(C2CCC2)cn1 ZINC000297063573 334239037 /nfs/dbraw/zinc/23/90/37/334239037.db2.gz OIPNHHSPDLCRLD-UHFFFAOYSA-N -1 3 315.348 3.742 20 0 DHADHM O=C([N-]OCc1ccc(F)cc1)Nc1ccc(C2CCC2)cn1 ZINC000297063573 334239038 /nfs/dbraw/zinc/23/90/38/334239038.db2.gz OIPNHHSPDLCRLD-UHFFFAOYSA-N -1 3 315.348 3.742 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1Br ZINC000534567607 334286570 /nfs/dbraw/zinc/28/65/70/334286570.db2.gz YCMJOIATEMTRET-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc(Cl)ccc1Cl ZINC000049282588 334324478 /nfs/dbraw/zinc/32/44/78/334324478.db2.gz LEHXCMXOEDUOLY-JTQLQIEISA-N -1 3 320.241 3.628 20 0 DHADHM C[C@@H](COc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534727255 334332543 /nfs/dbraw/zinc/33/25/43/334332543.db2.gz AXFBFIRRFVMGKS-NSHDSACASA-N -1 3 305.761 3.699 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000534918824 334348636 /nfs/dbraw/zinc/34/86/36/334348636.db2.gz MVHIXKZIIXZWNN-ZDUSSCGKSA-N -1 3 317.772 3.802 20 0 DHADHM Cc1ccc(Br)cc1C(=O)Nc1cccc([O-])c1F ZINC000534944394 334349923 /nfs/dbraw/zinc/34/99/23/334349923.db2.gz KUXCYICHQWEXLU-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3ccccc3Cl)no2)c1 ZINC000111688933 334353845 /nfs/dbraw/zinc/35/38/45/334353845.db2.gz YQTLRODRELNNIF-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM CC(C)COc1ncc(C(=O)Nc2ccccc2[O-])cc1Cl ZINC000341489567 334447746 /nfs/dbraw/zinc/44/77/46/334447746.db2.gz XBPMPXZHNVPDQU-UHFFFAOYSA-N -1 3 320.776 3.728 20 0 DHADHM CCc1ocnc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000342038956 334508667 /nfs/dbraw/zinc/50/86/67/334508667.db2.gz AQSHFJDPUWWCQH-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCCCS1 ZINC000443554797 338454361 /nfs/dbraw/zinc/45/43/61/338454361.db2.gz ABPXGXFMPAHPMW-LLVKDONJSA-N -1 3 321.320 3.515 20 0 DHADHM CCc1cc(C(=O)N[C@H]2CCCc3sccc32)ccc1[O-] ZINC000343074849 334600780 /nfs/dbraw/zinc/60/07/80/334600780.db2.gz XOWSWVRQDDZTMX-AWEZNQCLSA-N -1 3 301.411 3.824 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC000416299636 334662056 /nfs/dbraw/zinc/66/20/56/334662056.db2.gz CXOXMAQZSGYPQH-UONOGXRCSA-N -1 3 305.418 3.688 20 0 DHADHM C[C@H]1[C@@H](C)N(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000416318460 334663018 /nfs/dbraw/zinc/66/30/18/334663018.db2.gz FSRDLPORJDHLIP-RBSFLKMASA-N -1 3 311.425 3.981 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000416439627 334668630 /nfs/dbraw/zinc/66/86/30/334668630.db2.gz MQNAVICMILAKMN-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc([O-])cc1F ZINC000330792478 334811451 /nfs/dbraw/zinc/81/14/51/334811451.db2.gz BUTDFLAFGQLVQW-GHJWDPDVSA-N -1 3 309.381 3.844 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cc1[O-] ZINC000331332651 334854285 /nfs/dbraw/zinc/85/42/85/334854285.db2.gz HYWHBDCTWROOGD-MRXNPFEDSA-N -1 3 323.392 3.533 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(OC)cc1[O-] ZINC000331289479 334854995 /nfs/dbraw/zinc/85/49/95/334854995.db2.gz OCEIAPWNRAIOPI-QEORTHHSSA-N -1 3 321.417 3.713 20 0 DHADHM COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c([O-])c1 ZINC000331303443 334855939 /nfs/dbraw/zinc/85/59/39/334855939.db2.gz XTRFYXPKDHQBEP-QWRGUYRKSA-N -1 3 317.307 3.708 20 0 DHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332936358 334882990 /nfs/dbraw/zinc/88/29/90/334882990.db2.gz MYBFUDXZYMEVKU-IUODEOHRSA-N -1 3 316.426 3.538 20 0 DHADHM O=C(Nc1cncc(F)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000343720654 335186591 /nfs/dbraw/zinc/18/65/91/335186591.db2.gz BCISOXRIRNKEMN-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM Cc1nn(CC(=O)Nc2c(C)cccc2[O-])cc1-c1ccccc1 ZINC000444340619 338471597 /nfs/dbraw/zinc/47/15/97/338471597.db2.gz JFWVNKXRNIFYAO-UHFFFAOYSA-N -1 3 321.380 3.511 20 0 DHADHM Nc1c(F)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000343873630 335199221 /nfs/dbraw/zinc/19/92/21/335199221.db2.gz UVSVCJTYEZAZMO-UHFFFAOYSA-N -1 3 315.131 3.673 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)CC2(c3ccccc3)CC2)c1 ZINC000444375355 338471866 /nfs/dbraw/zinc/47/18/66/338471866.db2.gz GECIJLMABSRTSJ-UHFFFAOYSA-N -1 3 309.409 3.758 20 0 DHADHM Cc1ncc(CNCc2ccc(-c3ccccc3)cc2F)c(=O)[n-]1 ZINC000344332545 335241606 /nfs/dbraw/zinc/24/16/06/335241606.db2.gz OIKOIDCNBSQRDV-UHFFFAOYSA-N -1 3 323.371 3.587 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000344374744 335247991 /nfs/dbraw/zinc/24/79/91/335247991.db2.gz XEHRPRCPAPHHTG-OAHLLOKOSA-N -1 3 317.820 3.735 20 0 DHADHM CC(C)N(Cc1ccco1)C(=O)Cc1ccc([O-])cc1Cl ZINC000344479209 335252512 /nfs/dbraw/zinc/25/25/12/335252512.db2.gz YNRXIBDXIBJQCT-UHFFFAOYSA-N -1 3 307.777 3.618 20 0 DHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1cccc([O-])c1 ZINC000344603667 335263262 /nfs/dbraw/zinc/26/32/62/335263262.db2.gz LCRNQJFPIVTTMI-GFCCVEGCSA-N -1 3 307.802 3.915 20 0 DHADHM CC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000344711490 335274691 /nfs/dbraw/zinc/27/46/91/335274691.db2.gz VORQPKHCXGJLBA-UHFFFAOYSA-N -1 3 315.344 3.695 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000345015094 335291482 /nfs/dbraw/zinc/29/14/82/335291482.db2.gz IQIPEYALGIOTAO-MRXNPFEDSA-N -1 3 316.376 3.546 20 0 DHADHM C[C@H]1CCCC[C@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468614902 335295153 /nfs/dbraw/zinc/29/51/53/335295153.db2.gz HDWVRPILMCGBIH-ZFWWWQNUSA-N -1 3 307.409 3.797 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc(Cl)cn2)c2c([O-])cccc21 ZINC000345142628 335301131 /nfs/dbraw/zinc/30/11/31/335301131.db2.gz AUBHNBDWHLKOIJ-JTQLQIEISA-N -1 3 302.761 3.595 20 0 DHADHM CC(=O)Nc1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000345124175 335303434 /nfs/dbraw/zinc/30/34/34/335303434.db2.gz GCRRJTWAWZMIIC-LBPRGKRZSA-N -1 3 324.380 3.505 20 0 DHADHM CCO[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)C(C)C ZINC000345129214 335303790 /nfs/dbraw/zinc/30/37/90/335303790.db2.gz IZELBJSGTDITRD-BBRMVZONSA-N -1 3 305.418 3.684 20 0 DHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nccs1 ZINC000345934248 335361938 /nfs/dbraw/zinc/36/19/38/335361938.db2.gz NBQAPMUGAGEBJB-CYBMUJFWSA-N -1 3 322.405 3.578 20 0 DHADHM CSc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1 ZINC000345960983 335364201 /nfs/dbraw/zinc/36/42/01/335364201.db2.gz GBILRUIGEGRYFW-UHFFFAOYSA-N -1 3 320.389 3.610 20 0 DHADHM Cc1nc(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000345920144 335365497 /nfs/dbraw/zinc/36/54/97/335365497.db2.gz VMGZJNLITWLDNP-UHFFFAOYSA-N -1 3 308.378 3.566 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CCCc2c[nH]c3ccccc23)n1 ZINC000345920557 335365544 /nfs/dbraw/zinc/36/55/44/335365544.db2.gz CODFXBLXPXSLCY-UHFFFAOYSA-N -1 3 309.369 3.538 20 0 DHADHM CC[C@H](C)Oc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345988200 335367841 /nfs/dbraw/zinc/36/78/41/335367841.db2.gz OWZBFXLXTRFQFL-LBPRGKRZSA-N -1 3 300.358 3.525 20 0 DHADHM CSc1ccc(Cl)c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345997459 335368550 /nfs/dbraw/zinc/36/85/50/335368550.db2.gz UCBUWSCMWGJMSY-UHFFFAOYSA-N -1 3 308.790 3.723 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2c(c1)COC2 ZINC000346638547 335430101 /nfs/dbraw/zinc/43/01/01/335430101.db2.gz QROATDJNZDUOSW-UHFFFAOYSA-N -1 3 315.344 3.523 20 0 DHADHM Cc1ncc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)c(=O)[n-]1 ZINC000346809572 335442608 /nfs/dbraw/zinc/44/26/08/335442608.db2.gz QFNIRKNDILPXIE-ZDUSSCGKSA-N -1 3 324.211 3.575 20 0 DHADHM Cc1ncccc1-c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000347522482 335501884 /nfs/dbraw/zinc/50/18/84/335501884.db2.gz AXOCMTGHSGQPPD-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CC(C)C[C@H](C)OCCC(=O)N1CCCc2cccc([O-])c21 ZINC000347637476 335512498 /nfs/dbraw/zinc/51/24/98/335512498.db2.gz ACFNWMAJORKRCZ-AWEZNQCLSA-N -1 3 305.418 3.513 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000093900421 335683999 /nfs/dbraw/zinc/68/39/99/335683999.db2.gz GNEDRYBKLRJOAA-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1[nH]c2ccccc2c1Cl ZINC000536220372 335831606 /nfs/dbraw/zinc/83/16/06/335831606.db2.gz NHBMEBSKYOEFJD-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CCO[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000351395622 336031348 /nfs/dbraw/zinc/03/13/48/336031348.db2.gz JOCACHCBOXSEMW-MRXNPFEDSA-N -1 3 319.788 3.553 20 0 DHADHM CCN(Cc1cccc(Cl)c1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192544614 336078269 /nfs/dbraw/zinc/07/82/69/336078269.db2.gz WSDHZDVIECISLW-LBPRGKRZSA-N -1 3 305.809 3.727 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2C)cc1[O-] ZINC000331971009 336154547 /nfs/dbraw/zinc/15/45/47/336154547.db2.gz RSEMWIHLDIFIKZ-GOSISDBHSA-N -1 3 323.392 3.881 20 0 DHADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000332009853 336155844 /nfs/dbraw/zinc/15/58/44/336155844.db2.gz ZHMYLHRNAGGNQF-UHFFFAOYSA-N -1 3 317.414 3.770 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000526112766 336157750 /nfs/dbraw/zinc/15/77/50/336157750.db2.gz IGPQFEQIPUMCOP-UHFFFAOYSA-N -1 3 308.385 3.799 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000526112766 336157751 /nfs/dbraw/zinc/15/77/51/336157751.db2.gz IGPQFEQIPUMCOP-UHFFFAOYSA-N -1 3 308.385 3.799 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000526112766 336157752 /nfs/dbraw/zinc/15/77/52/336157752.db2.gz IGPQFEQIPUMCOP-UHFFFAOYSA-N -1 3 308.385 3.799 20 0 DHADHM COc1ccc(NC(=O)[C@]2(C)CCc3ccccc3C2)c([O-])c1 ZINC000332596824 336175565 /nfs/dbraw/zinc/17/55/65/336175565.db2.gz MDTXADIDZGSIDQ-LJQANCHMSA-N -1 3 311.381 3.535 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000351988312 336186152 /nfs/dbraw/zinc/18/61/52/336186152.db2.gz FVTIAGHPTUJJJF-INIZCTEOSA-N -1 3 315.344 3.597 20 0 DHADHM Cc1ccc(OC2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000351997620 336187216 /nfs/dbraw/zinc/18/72/16/336187216.db2.gz VJOKPTITOLJNCP-UHFFFAOYSA-N -1 3 315.388 3.883 20 0 DHADHM CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352021040 336189837 /nfs/dbraw/zinc/18/98/37/336189837.db2.gz LXFBRQMHMPVIIP-XBXARRHUSA-N -1 3 312.369 3.637 20 0 DHADHM COC1(c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCCC1 ZINC000333222578 336200010 /nfs/dbraw/zinc/20/00/10/336200010.db2.gz FADCWOLXKZCQFH-UHFFFAOYSA-N -1 3 314.385 3.737 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)[N-]c2cnns2)c2ccccc21 ZINC000333298678 336201416 /nfs/dbraw/zinc/20/14/16/336201416.db2.gz BYCLTWCQNBMXOG-NSHDSACASA-N -1 3 302.403 3.720 20 0 DHADHM Cc1c([N-]C(=O)[C@@H]2O[C@H](C)C[C@H]2C)onc1C1CCCCC1 ZINC000333909547 336212231 /nfs/dbraw/zinc/21/22/31/336212231.db2.gz WMNUGFKCIIOJNA-UEKVPHQBSA-N -1 3 306.406 3.783 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000333961475 336214350 /nfs/dbraw/zinc/21/43/50/336214350.db2.gz LYHCBNRUSSBGTI-SFHVURJKSA-N -1 3 323.392 3.855 20 0 DHADHM COCCCC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000352366349 336214447 /nfs/dbraw/zinc/21/44/47/336214447.db2.gz DOEXHOVLRTWXHV-SFHVURJKSA-N -1 3 313.397 3.680 20 0 DHADHM Cc1nnc([N-]C(=O)c2csc(C3CCCCC3)n2)s1 ZINC000334059508 336217351 /nfs/dbraw/zinc/21/73/51/336217351.db2.gz XYHQFXFCOCLCPG-UHFFFAOYSA-N -1 3 308.432 3.603 20 0 DHADHM COc1cc(C(=O)NCc2cc3ccccc3s2)ccc1[O-] ZINC000352459952 336220476 /nfs/dbraw/zinc/22/04/76/336220476.db2.gz ABGUHFMIKLJRNA-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000352610045 336226857 /nfs/dbraw/zinc/22/68/57/336226857.db2.gz NKMQTMWXFRMFBL-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1-c1cccc(C)c1 ZINC000352653567 336228917 /nfs/dbraw/zinc/22/89/17/336228917.db2.gz VRPOKABDWGHFOX-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCN(CC)c1ccc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000352692567 336230793 /nfs/dbraw/zinc/23/07/93/336230793.db2.gz IOUWSRYLROYPBV-UHFFFAOYSA-N -1 3 307.344 3.524 20 0 DHADHM CCc1cccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c1[O-] ZINC000526234481 336240753 /nfs/dbraw/zinc/24/07/53/336240753.db2.gz AFQYOCZLDJJRPG-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM C[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1cccc1 ZINC000532382261 336244547 /nfs/dbraw/zinc/24/45/47/336244547.db2.gz VRHFLIVXBIKBLL-JTQLQIEISA-N -1 3 312.291 3.802 20 0 DHADHM Cc1nc(Cl)cc(Sc2n[n-]c(-c3ccccc3F)n2)n1 ZINC000301157864 336292385 /nfs/dbraw/zinc/29/23/85/336292385.db2.gz QQJDIRVCYPHSHV-UHFFFAOYSA-N -1 3 321.768 3.514 20 0 DHADHM Cc1nc(-c2ccc(NCc3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301175061 336293376 /nfs/dbraw/zinc/29/33/76/336293376.db2.gz LTXIJGUNUHAEJW-UHFFFAOYSA-N -1 3 324.359 3.612 20 0 DHADHM Clc1ccc(-c2nc(Sc3ncc(Cl)cn3)n[n-]2)cc1 ZINC000301490063 336309997 /nfs/dbraw/zinc/30/99/97/336309997.db2.gz LXJDKGXRDVSIJR-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)C(C)C)nc2)n1 ZINC000302516404 336360589 /nfs/dbraw/zinc/36/05/89/336360589.db2.gz VPCALPWRHAMATR-UHFFFAOYSA-N -1 3 314.433 3.901 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC=C(c2ccccc2)C1 ZINC000353469293 336419391 /nfs/dbraw/zinc/41/93/91/336419391.db2.gz ICZTVZPFWYTKGL-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM [O-]c1ccc(F)c(CN2CCn3c(cc4ccccc43)C2)c1F ZINC000353573254 336426143 /nfs/dbraw/zinc/42/61/43/336426143.db2.gz XBXQAYPEBMTEHC-UHFFFAOYSA-N -1 3 314.335 3.641 20 0 DHADHM O=C([N-]c1csc(-c2ccccn2)n1)c1c(F)cccc1F ZINC000353925507 336448895 /nfs/dbraw/zinc/44/88/95/336448895.db2.gz LWCZUSHJBJBCHY-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CSCC[C@@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354789520 336482416 /nfs/dbraw/zinc/48/24/16/336482416.db2.gz BGVVZTSLLHMFDJ-GFCCVEGCSA-N -1 3 303.427 3.759 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1occ2c1CCC2 ZINC000354790511 336482452 /nfs/dbraw/zinc/48/24/52/336482452.db2.gz SOTGOVGWJFXJIP-UHFFFAOYSA-N -1 3 308.337 3.984 20 0 DHADHM CCSc1nnc([N-]C(=O)c2coc3cc(F)ccc32)s1 ZINC000354933770 336488307 /nfs/dbraw/zinc/48/83/07/336488307.db2.gz XXJRRKYFEIWZBW-UHFFFAOYSA-N -1 3 323.374 3.788 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000354964160 336489290 /nfs/dbraw/zinc/48/92/90/336489290.db2.gz XVDXPKJNQNXLGA-ZYHUDNBSSA-N -1 3 313.850 3.792 20 0 DHADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1C1CCCC1 ZINC000356403258 336548628 /nfs/dbraw/zinc/54/86/28/336548628.db2.gz YZEFVOIDGSKXRK-UHFFFAOYSA-N -1 3 317.364 3.658 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1 ZINC000015586522 336549120 /nfs/dbraw/zinc/54/91/20/336549120.db2.gz PVABTIHHTZFXRK-UHFFFAOYSA-N -1 3 313.785 3.781 20 0 DHADHM C[C@]1(NC(=O)Cc2ccc([O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000356496974 336552079 /nfs/dbraw/zinc/55/20/79/336552079.db2.gz VSVGCARHSFAARD-YJBOKZPZSA-N -1 3 315.800 3.651 20 0 DHADHM C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357314879 336580350 /nfs/dbraw/zinc/58/03/50/336580350.db2.gz ZYWXSVAIZNFOKG-LLVKDONJSA-N -1 3 301.773 3.692 20 0 DHADHM COc1cc(C(=O)NCCc2cccc3ccccc32)ccc1[O-] ZINC000357609883 336592258 /nfs/dbraw/zinc/59/22/58/336592258.db2.gz KFKGBCQECKAVLL-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2nc3cc(F)c(C)cc3s2)o1 ZINC000358014542 336606040 /nfs/dbraw/zinc/60/60/40/336606040.db2.gz FITMNUKRVDOTTL-UHFFFAOYSA-N -1 3 318.329 3.792 20 0 DHADHM O=C(NCc1ccc(C2CC2)cc1F)c1cc([O-])ccc1Cl ZINC000358923145 336647730 /nfs/dbraw/zinc/64/77/30/336647730.db2.gz WWUBWONOFNBASM-UHFFFAOYSA-N -1 3 319.763 3.992 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCCC1(C)C ZINC000193178140 336680741 /nfs/dbraw/zinc/68/07/41/336680741.db2.gz LXOGUTNLWUQYCP-LLVKDONJSA-N -1 3 322.405 3.569 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(C2CC2)ccn1 ZINC000359680481 336683173 /nfs/dbraw/zinc/68/31/73/336683173.db2.gz SBTUPYWRWDXMTK-UHFFFAOYSA-N -1 3 314.360 3.765 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])cc2F)o1 ZINC000360857011 336724548 /nfs/dbraw/zinc/72/45/48/336724548.db2.gz ZVXBQDBAJMCGAG-IXOXFDKPSA-N -1 3 315.344 3.990 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cn2c(n1)CCCC2 ZINC000362186510 336787272 /nfs/dbraw/zinc/78/72/72/336787272.db2.gz YZVMRXCKPADCGU-UHFFFAOYSA-N -1 3 319.405 3.723 20 0 DHADHM C[C@@H](CC(=O)[O-])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000362346670 336793263 /nfs/dbraw/zinc/79/32/63/336793263.db2.gz NOXRUXZBIUFZOK-JTQLQIEISA-N -1 3 316.382 3.509 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)CSCc2ccncc2)c1[O-] ZINC000116979706 336850427 /nfs/dbraw/zinc/85/04/27/336850427.db2.gz HJHRWYHDAYERII-UHFFFAOYSA-N -1 3 322.817 3.621 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000370688119 336891216 /nfs/dbraw/zinc/89/12/16/336891216.db2.gz HCAIQFDURSOPQF-CFVMTHIKSA-N -1 3 321.298 3.568 20 0 DHADHM O=C(Nc1cccc2c1OCCC2)c1cc([O-])ccc1Cl ZINC000377964919 337064562 /nfs/dbraw/zinc/06/45/62/337064562.db2.gz YXDTUQLMSYFXNF-UHFFFAOYSA-N -1 3 303.745 3.623 20 0 DHADHM COc1cccc(C(=O)N2CCCC23CCCCCC3)c1[O-] ZINC000378438174 337072623 /nfs/dbraw/zinc/07/26/23/337072623.db2.gz ISYUJQZJEKTKLE-UHFFFAOYSA-N -1 3 303.402 3.730 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C)c(OC)c2)CC)n1 ZINC000193617920 337078677 /nfs/dbraw/zinc/07/86/77/337078677.db2.gz RCHVQBWXDGEQNO-XNTDXEJSSA-N -1 3 312.413 3.990 20 0 DHADHM O=C(CS[C@@H]1CCc2ccccc2C1)Nc1ccccc1[O-] ZINC000582498463 337102655 /nfs/dbraw/zinc/10/26/55/337102655.db2.gz QNRZDPUKJABQPK-OAHLLOKOSA-N -1 3 313.422 3.621 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc3c(s2)CCCC3)on1 ZINC000172706735 337130511 /nfs/dbraw/zinc/13/05/11/337130511.db2.gz ARIYCYDIYCRITO-VIFPVBQESA-N -1 3 305.403 3.776 20 0 DHADHM Cc1c2ccccc2oc1-c1nc2cc(F)c(F)cc2c(=O)[n-]1 ZINC000172998694 337132839 /nfs/dbraw/zinc/13/28/39/337132839.db2.gz PDZVWOQIMOLDCR-UHFFFAOYSA-N -1 3 312.275 3.923 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(Cl)s1 ZINC000178479673 337163009 /nfs/dbraw/zinc/16/30/09/337163009.db2.gz RFLDUURNHCEEPI-UHFFFAOYSA-N -1 3 316.209 3.619 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000179539873 337170176 /nfs/dbraw/zinc/17/01/76/337170176.db2.gz GEAKTWXTOXAPRW-AWEZNQCLSA-N -1 3 316.426 3.779 20 0 DHADHM O=C([N-]c1ncccc1Cl)c1cc(-c2ccc(F)cc2)on1 ZINC000179947719 337172645 /nfs/dbraw/zinc/17/26/45/337172645.db2.gz CFUOBOVWXGFYAW-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](CC2CCC2)c2ccccc2)n1 ZINC000181347217 337181538 /nfs/dbraw/zinc/18/15/38/337181538.db2.gz SOCYQERDNHRIET-QGZVFWFLSA-N -1 3 311.429 3.766 20 0 DHADHM Cc1coc(-c2cc(NC(=O)c3cccc([O-])c3)ccc2C)n1 ZINC000182817303 337188504 /nfs/dbraw/zinc/18/85/04/337188504.db2.gz IEOSJKFSUYXWIE-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000183077183 337191390 /nfs/dbraw/zinc/19/13/90/337191390.db2.gz HTQBAFJWPZHONI-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC[C@@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000183460167 337191893 /nfs/dbraw/zinc/19/18/93/337191893.db2.gz ZSVQUXDSIOZELT-MWLCHTKSSA-N -1 3 317.307 3.555 20 0 DHADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc([O-])cc1F ZINC000183239359 337192507 /nfs/dbraw/zinc/19/25/07/337192507.db2.gz JEMBPMBNKPPHJS-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM CCCc1c(C(=O)Nc2ccc([O-])cc2F)[nH]c(C)c1C(C)=O ZINC000183255156 337192550 /nfs/dbraw/zinc/19/25/50/337192550.db2.gz VGRZQOCLFNBMEU-UHFFFAOYSA-N -1 3 318.348 3.575 20 0 DHADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc([O-])cc1F ZINC000183275670 337192683 /nfs/dbraw/zinc/19/26/83/337192683.db2.gz CBLSFGJSFGCZTH-UHFFFAOYSA-N -1 3 314.291 3.779 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1SCCc2ccccc21 ZINC000183278184 337192800 /nfs/dbraw/zinc/19/28/00/337192800.db2.gz MVFVUZQCKSWPBP-HNNXBMFYSA-N -1 3 303.358 3.500 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCc2c1cccc2C(F)(F)F ZINC000185043414 337201470 /nfs/dbraw/zinc/20/14/70/337201470.db2.gz CAGGXYNHMWSNJG-UHFFFAOYSA-N -1 3 307.271 3.614 20 0 DHADHM CC1CCC(N(Cc2occc2C(=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000582852258 337210436 /nfs/dbraw/zinc/21/04/36/337210436.db2.gz ZSTIGDKENZIWEJ-NRXISQOPSA-N -1 3 321.417 3.538 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2)c2cccnc2)c1 ZINC000185513750 337248741 /nfs/dbraw/zinc/24/87/41/337248741.db2.gz RWLAMVDXLFHUQF-LJQANCHMSA-N -1 3 308.356 3.806 20 0 DHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccco1 ZINC000186106868 337253625 /nfs/dbraw/zinc/25/36/25/337253625.db2.gz AGJNFVPHKHILNM-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186646170 337258282 /nfs/dbraw/zinc/25/82/82/337258282.db2.gz JBXSLAVWAMVNLW-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM COc1cc(C(=O)Nc2cccc(C(F)F)c2)cc(OC)c1[O-] ZINC000186758830 337259296 /nfs/dbraw/zinc/25/92/96/337259296.db2.gz BIQVSIRANNELDE-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000188806985 337275306 /nfs/dbraw/zinc/27/53/06/337275306.db2.gz MGKDDCSKCIVAIE-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM COc1ccc(F)c(C(=O)[N-]c2ccccc2SC)c1OC ZINC000190887101 337290409 /nfs/dbraw/zinc/29/04/09/337290409.db2.gz VJOCDCBHICNJSR-UHFFFAOYSA-N -1 3 321.373 3.817 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](F)C1 ZINC000514678168 337305545 /nfs/dbraw/zinc/30/55/45/337305545.db2.gz REJCHXKKWRDKPJ-CYBMUJFWSA-N -1 3 315.344 3.759 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000584449099 337339333 /nfs/dbraw/zinc/33/93/33/337339333.db2.gz CUMVQWSHSQWPNW-AWEZNQCLSA-N -1 3 320.396 3.748 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000584449099 337339334 /nfs/dbraw/zinc/33/93/34/337339334.db2.gz CUMVQWSHSQWPNW-AWEZNQCLSA-N -1 3 320.396 3.748 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000584449099 337339335 /nfs/dbraw/zinc/33/93/35/337339335.db2.gz CUMVQWSHSQWPNW-AWEZNQCLSA-N -1 3 320.396 3.748 20 0 DHADHM Cc1nc(C)c(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000109111359 337388202 /nfs/dbraw/zinc/38/82/02/337388202.db2.gz HLNMEMFHCNQTET-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM COc1ccc([O-])c(C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000124209619 337404166 /nfs/dbraw/zinc/40/41/66/337404166.db2.gz UZEUXJZBQIKUFH-UHFFFAOYSA-N -1 3 315.369 3.579 20 0 DHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccccc1-c1ccccc1)OC ZINC000421138901 337523221 /nfs/dbraw/zinc/52/32/21/337523221.db2.gz JCEOYDKHCKTTGC-HNNXBMFYSA-N -1 3 319.426 3.520 20 0 DHADHM CC[C@H](C)OCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000162371124 337617187 /nfs/dbraw/zinc/61/71/87/337617187.db2.gz VQPCUJIPCKVXKM-AWEZNQCLSA-N -1 3 313.397 3.737 20 0 DHADHM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cccc([O-])c1 ZINC000421928456 337662127 /nfs/dbraw/zinc/66/21/27/337662127.db2.gz WIMCSSSTWAQCRR-IBGZPJMESA-N -1 3 313.372 3.769 20 0 DHADHM CCOc1cc(-c2noc(CCc3cccs3)n2)ccc1[O-] ZINC000445415916 337683331 /nfs/dbraw/zinc/68/33/31/337683331.db2.gz DFBVNFHSEKXIEA-UHFFFAOYSA-N -1 3 316.382 3.688 20 0 DHADHM CCOc1cc(-c2noc(C3(c4ccccc4)CC3)n2)ccc1[O-] ZINC000445426239 337726735 /nfs/dbraw/zinc/72/67/35/337726735.db2.gz IPDYYKAVUWFQDA-UHFFFAOYSA-N -1 3 322.364 3.921 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(F)ccc3F)n2)ccc1[O-] ZINC000445428896 337729396 /nfs/dbraw/zinc/72/93/96/337729396.db2.gz XZPJPLWZBJOOQA-UHFFFAOYSA-N -1 3 318.279 3.786 20 0 DHADHM COc1cc(-c2noc(-c3cc(F)c(F)cc3F)n2)ccc1[O-] ZINC000445431090 337737136 /nfs/dbraw/zinc/73/71/36/337737136.db2.gz MHMYFMRMLVNOSI-UHFFFAOYSA-N -1 3 322.242 3.535 20 0 DHADHM Cn1ccc2c1cccc2NC(=O)Cc1ccc([O-])cc1Cl ZINC000533182717 337834205 /nfs/dbraw/zinc/83/42/05/337834205.db2.gz CHYCYBKZSIRFJV-UHFFFAOYSA-N -1 3 314.772 3.719 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1[O-] ZINC000117987940 337849763 /nfs/dbraw/zinc/84/97/63/337849763.db2.gz JMTAWAHAISTCOK-GOSISDBHSA-N -1 3 324.424 3.744 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)sc1Cl ZINC000424616799 337923128 /nfs/dbraw/zinc/92/31/28/337923128.db2.gz GPSDKEGXOREFCA-XVKPBYJWSA-N -1 3 310.246 3.890 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000424621020 337925171 /nfs/dbraw/zinc/92/51/71/337925171.db2.gz NJVSCMJITHDXOY-NOZJJQNGSA-N -1 3 304.217 3.828 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2[O-])ccc1Br ZINC000123046062 337942426 /nfs/dbraw/zinc/94/24/26/337942426.db2.gz SONUTSQWYFIPTG-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM C[C@@H]1[C@@H](c2ccccc2)[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000516369486 338012098 /nfs/dbraw/zinc/01/20/98/338012098.db2.gz UFVWAMPMCOZVCZ-VFVAKGGASA-N -1 3 317.352 3.525 20 0 DHADHM Cc1ccc(F)c(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000445458602 338018098 /nfs/dbraw/zinc/01/80/98/338018098.db2.gz VLNFNYCLWDAFJY-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1ccc(F)c(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000445458602 338018099 /nfs/dbraw/zinc/01/80/99/338018099.db2.gz VLNFNYCLWDAFJY-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM O=C([O-])CC1(CNCc2cc(C(F)(F)F)ccc2F)CCC1 ZINC000426650259 338036964 /nfs/dbraw/zinc/03/69/64/338036964.db2.gz APLXWBNFIISLDV-UHFFFAOYSA-N -1 3 319.298 3.579 20 0 DHADHM CCc1cccc(Cl)c1CNCCc1ccccc1C(=O)[O-] ZINC000426668388 338037631 /nfs/dbraw/zinc/03/76/31/338037631.db2.gz DXFKIAPWCRUOLH-UHFFFAOYSA-N -1 3 317.816 3.933 20 0 DHADHM O=C([O-])c1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000426699769 338038480 /nfs/dbraw/zinc/03/84/80/338038480.db2.gz MDRFSQGVFYQRMO-UHFFFAOYSA-N -1 3 324.405 3.798 20 0 DHADHM CCc1ccc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000426701882 338038496 /nfs/dbraw/zinc/03/84/96/338038496.db2.gz BNUBMGROOYQNLT-ZDUSSCGKSA-N -1 3 321.804 3.844 20 0 DHADHM Cc1cccc([C@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])c1C ZINC000426725881 338039519 /nfs/dbraw/zinc/03/95/19/338039519.db2.gz FUWGJWAOONLKQL-SUZKBHRPSA-N -1 3 313.372 3.871 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@@]2(C)C(=O)[O-])cs1 ZINC000426730256 338039610 /nfs/dbraw/zinc/03/96/10/338039610.db2.gz KMGWGYZQPSCSHW-MLGOLLRUSA-N -1 3 310.463 3.564 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000426738434 338040166 /nfs/dbraw/zinc/04/01/66/338040166.db2.gz WECMQROTHJTQPV-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000426743809 338040411 /nfs/dbraw/zinc/04/04/11/338040411.db2.gz PEELJQYIDUVJFU-INIZCTEOSA-N -1 3 314.772 3.737 20 0 DHADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1ccsc1Cl ZINC000426749424 338040676 /nfs/dbraw/zinc/04/06/76/338040676.db2.gz FUVWRYYTGBLVLU-NEPJUHHUSA-N -1 3 301.839 3.915 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000426762277 338041240 /nfs/dbraw/zinc/04/12/40/338041240.db2.gz IWIWJCRRVOVMLU-INIZCTEOSA-N -1 3 323.314 3.636 20 0 DHADHM CCc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431499306 338132512 /nfs/dbraw/zinc/13/25/12/338132512.db2.gz FZAZYZITUXVFRQ-UHFFFAOYSA-N -1 3 320.176 3.799 20 0 DHADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000431585223 338134184 /nfs/dbraw/zinc/13/41/84/338134184.db2.gz LOVDDLFHQBMEKP-UHFFFAOYSA-N -1 3 323.380 3.808 20 0 DHADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431750721 338137929 /nfs/dbraw/zinc/13/79/29/338137929.db2.gz BOXPAAQONHFILE-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1Cc2ccccc2C1 ZINC000431856086 338140214 /nfs/dbraw/zinc/14/02/14/338140214.db2.gz DFRCKYQYMVBMTE-UHFFFAOYSA-N -1 3 321.298 3.765 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H]2CCOC[C@H]2C)c([O-])c(C(C)C)c1 ZINC000432466558 338156905 /nfs/dbraw/zinc/15/69/05/338156905.db2.gz XXWYFAGVURGASV-DYVFJYSZSA-N -1 3 319.445 3.794 20 0 DHADHM CC[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433614166 338198256 /nfs/dbraw/zinc/19/82/56/338198256.db2.gz BZDVGJPZVBDWHO-QMMMGPOBSA-N -1 3 303.836 3.632 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3c(c2)CCO3)CC)n1 ZINC000435341101 338237660 /nfs/dbraw/zinc/23/76/60/338237660.db2.gz SPJDNMRKVHQTDC-GXDHUFHOSA-N -1 3 310.397 3.608 20 0 DHADHM COc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)ccc1F ZINC000435944976 338253781 /nfs/dbraw/zinc/25/37/81/338253781.db2.gz FGAOUEKLMBXMNW-VMPITWQZSA-N -1 3 312.300 3.760 20 0 DHADHM CC(C)Oc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)ccn1 ZINC000435953858 338254112 /nfs/dbraw/zinc/25/41/12/338254112.db2.gz AQSGXHYHRRKVQT-VOTSOKGWSA-N -1 3 323.352 3.795 20 0 DHADHM CC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC1 ZINC000436310370 338268372 /nfs/dbraw/zinc/26/83/72/338268372.db2.gz RIHNYGKNOXVFQO-UHFFFAOYSA-N -1 3 323.392 3.686 20 0 DHADHM CCCOCc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000436521235 338275048 /nfs/dbraw/zinc/27/50/48/338275048.db2.gz CRHYPIFSYBSCSJ-UHFFFAOYSA-N -1 3 313.397 3.557 20 0 DHADHM CC[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nccs1 ZINC000436527805 338275104 /nfs/dbraw/zinc/27/51/04/338275104.db2.gz JJAHRCFONUZOJG-AWEZNQCLSA-N -1 3 316.426 3.609 20 0 DHADHM Cc1cccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1[O-] ZINC000436528528 338275297 /nfs/dbraw/zinc/27/52/97/338275297.db2.gz HUZIESMOYMCEAH-KRWDZBQOSA-N -1 3 309.409 3.938 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nc3ccsc3s2)c1[O-] ZINC000436528833 338275365 /nfs/dbraw/zinc/27/53/65/338275365.db2.gz JBJDIVVHXQUWFL-UHFFFAOYSA-N -1 3 320.395 3.633 20 0 DHADHM CC(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436532851 338275445 /nfs/dbraw/zinc/27/54/45/338275445.db2.gz HAQMRMIBJJJGPW-CQSZACIVSA-N -1 3 317.429 3.756 20 0 DHADHM Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436532537 338275514 /nfs/dbraw/zinc/27/55/14/338275514.db2.gz RWTADCXYFZTJFO-KRWDZBQOSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccccc2[O-])c1C ZINC000436534542 338275670 /nfs/dbraw/zinc/27/56/70/338275670.db2.gz LKWYYWQNJOCJHC-UHFFFAOYSA-N -1 3 308.381 3.729 20 0 DHADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C1Cc2ccccc2C1 ZINC000436547195 338276489 /nfs/dbraw/zinc/27/64/89/338276489.db2.gz NSOKDSURLLSKAC-UHFFFAOYSA-N -1 3 321.420 3.510 20 0 DHADHM COc1ccc(C(=O)N(Cc2cccc(F)c2)C(C)C)c([O-])c1 ZINC000436545847 338276529 /nfs/dbraw/zinc/27/65/29/338276529.db2.gz NIVHJCDCMHVMKR-UHFFFAOYSA-N -1 3 317.360 3.591 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1cc(CC)ccc1[O-] ZINC000436547556 338276567 /nfs/dbraw/zinc/27/65/67/338276567.db2.gz RKFOKOMEPZTVQI-UHFFFAOYSA-N -1 3 303.324 3.759 20 0 DHADHM O=C(NCCCCCOC1CCCCC1)c1ccccc1[O-] ZINC000436549959 338276714 /nfs/dbraw/zinc/27/67/14/338276714.db2.gz HDXBKNCKFDCCKH-UHFFFAOYSA-N -1 3 305.418 3.642 20 0 DHADHM Cc1cccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1[O-] ZINC000436551135 338276745 /nfs/dbraw/zinc/27/67/45/338276745.db2.gz LWEPDCDSWYURAZ-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM COc1cc(C)cc(C(=O)N2CCc3cc(Cl)ccc32)c1[O-] ZINC000436555279 338276879 /nfs/dbraw/zinc/27/68/79/338276879.db2.gz LIATUBQFQQBXJX-UHFFFAOYSA-N -1 3 317.772 3.566 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2Cl)c1 ZINC000436561029 338277035 /nfs/dbraw/zinc/27/70/35/338277035.db2.gz AUOVVQKXGJUTSW-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CCSc1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436560275 338277045 /nfs/dbraw/zinc/27/70/45/338277045.db2.gz CHWOMOSYFUKJIH-NSHDSACASA-N -1 3 317.410 3.701 20 0 DHADHM COc1ccccc1C1(c2noc(-c3ccccc3[O-])n2)CC1 ZINC000436561047 338277110 /nfs/dbraw/zinc/27/71/10/338277110.db2.gz BAFJJXJPPSPPDF-UHFFFAOYSA-N -1 3 308.337 3.531 20 0 DHADHM CN(C)Cc1cnc(/C=C/c2ccc3cccc([O-])c3n2)s1 ZINC000436573084 338277808 /nfs/dbraw/zinc/27/78/08/338277808.db2.gz BHBNLWPTZVXQRJ-CMDGGOBGSA-N -1 3 311.410 3.629 20 0 DHADHM CN(CCc1cccs1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436577431 338278063 /nfs/dbraw/zinc/27/80/63/338278063.db2.gz RWNZSJPTNAPWOQ-UHFFFAOYSA-N -1 3 315.438 3.647 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(C)cc3F)no2)c1[O-] ZINC000436583376 338278327 /nfs/dbraw/zinc/27/83/27/338278327.db2.gz JSOBXHHXRODLOL-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1cc(C)ccc1[O-])CCCC2 ZINC000436582057 338278373 /nfs/dbraw/zinc/27/83/73/338278373.db2.gz GVVULSOFFRWTNE-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CCC2)C1 ZINC000436585648 338278617 /nfs/dbraw/zinc/27/86/17/338278617.db2.gz KKPNBXWJUQYFMN-UHFFFAOYSA-N -1 3 321.420 3.999 20 0 DHADHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c([O-])c1C ZINC000436600869 338279371 /nfs/dbraw/zinc/27/93/71/338279371.db2.gz GMMOBYDVZJCSQL-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccc(O)cc3)n2)c2ccccc12 ZINC000436606717 338279639 /nfs/dbraw/zinc/27/96/39/338279639.db2.gz DXCYDXUEZHJKBT-UHFFFAOYSA-N -1 3 318.332 3.892 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cccc(O)c3)n2)c2ccccc12 ZINC000436614343 338280166 /nfs/dbraw/zinc/28/01/66/338280166.db2.gz WQKRCZFEDDDJHS-UHFFFAOYSA-N -1 3 304.305 3.968 20 0 DHADHM COC[C@H](C)[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436621844 338280256 /nfs/dbraw/zinc/28/02/56/338280256.db2.gz YIRRWUWEZBCIRK-RYUDHWBXSA-N -1 3 312.369 3.981 20 0 DHADHM Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(C)c2[O-])n1 ZINC000436628639 338280667 /nfs/dbraw/zinc/28/06/67/338280667.db2.gz IHUXUQRPOLTPMF-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc2ccccc21 ZINC000436634791 338280748 /nfs/dbraw/zinc/28/07/48/338280748.db2.gz LNJOWVAYAHPMCQ-GFCCVEGCSA-N -1 3 307.349 3.742 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1cccc(Cl)c1 ZINC000436633458 338280792 /nfs/dbraw/zinc/28/07/92/338280792.db2.gz BMRSFXOEVVSKAC-AWEZNQCLSA-N -1 3 319.788 3.935 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436634816 338280851 /nfs/dbraw/zinc/28/08/51/338280851.db2.gz LXXVEHUTUDWNKO-HNNXBMFYSA-N -1 3 307.459 3.702 20 0 DHADHM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436657202 338281935 /nfs/dbraw/zinc/28/19/35/338281935.db2.gz KTPOZNJUPBXFQV-SUMWQHHRSA-N -1 3 311.381 3.711 20 0 DHADHM Cc1cccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c1[O-] ZINC000436679081 338282550 /nfs/dbraw/zinc/28/25/50/338282550.db2.gz JQFANECRTLLEBF-UHFFFAOYSA-N -1 3 311.356 3.922 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2nccc3ccccc32)c([O-])c1 ZINC000436693725 338283222 /nfs/dbraw/zinc/28/32/22/338283222.db2.gz VZXHOEWWDMMSKE-UHFFFAOYSA-N -1 3 320.392 3.994 20 0 DHADHM CCc1cc(C(=O)NCC[C@H](OC)C(CC)CC)ccc1[O-] ZINC000436701816 338283391 /nfs/dbraw/zinc/28/33/91/338283391.db2.gz AUHYWDSOWYTODA-KRWDZBQOSA-N -1 3 307.434 3.526 20 0 DHADHM COc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1[O-] ZINC000436707904 338283565 /nfs/dbraw/zinc/28/35/65/338283565.db2.gz IOHFLQCPIXYQKE-KRWDZBQOSA-N -1 3 311.381 3.672 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCc2nc3ccccc3n2C(C)C)c1 ZINC000436716774 338283806 /nfs/dbraw/zinc/28/38/06/338283806.db2.gz CIKJTIGJJVKTSN-UHFFFAOYSA-N -1 3 323.396 3.561 20 0 DHADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)c1c(F)cccc1F ZINC000436729397 338284437 /nfs/dbraw/zinc/28/44/37/338284437.db2.gz AFSIXXIVMGKSSN-VIFPVBQESA-N -1 3 302.280 3.872 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436728252 338284565 /nfs/dbraw/zinc/28/45/65/338284565.db2.gz JLCRXDBAIFNDAW-CQSZACIVSA-N -1 3 318.376 3.945 20 0 DHADHM CCCCN(Cc1ccccc1F)C(=O)c1ccc(O)cc1[O-] ZINC000436738667 338284814 /nfs/dbraw/zinc/28/48/14/338284814.db2.gz OPHUVWMQOIMSNG-UHFFFAOYSA-N -1 3 317.360 3.679 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cnc(-c4ccco4)s3)n2)cc1 ZINC000436765936 338286332 /nfs/dbraw/zinc/28/63/32/338286332.db2.gz AJQMQJWPUYJBBK-UHFFFAOYSA-N -1 3 311.322 3.826 20 0 DHADHM [O-]c1ccc(-c2noc(CCn3ccc4ccccc43)n2)cc1 ZINC000436765972 338286435 /nfs/dbraw/zinc/28/64/35/338286435.db2.gz AXGSVOSNDKCQNH-UHFFFAOYSA-N -1 3 305.337 3.640 20 0 DHADHM Cc1cccc(OCCc2nc(-c3ccc([O-])cc3)no2)c1C ZINC000436770043 338286487 /nfs/dbraw/zinc/28/64/87/338286487.db2.gz PSZLNXNASHXGRS-UHFFFAOYSA-N -1 3 310.353 3.681 20 0 DHADHM COc1cccc([C@@H]2C[C@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768857 338286656 /nfs/dbraw/zinc/28/66/56/338286656.db2.gz KVDNOLWOUAJCKI-JKSUJKDBSA-N -1 3 308.337 3.722 20 0 DHADHM CC(=O)c1cccc(O[C@@H](C)c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770057 338286708 /nfs/dbraw/zinc/28/67/08/338286708.db2.gz PULIPBVVPDVZRV-LBPRGKRZSA-N -1 3 324.336 3.785 20 0 DHADHM COc1ccc(CCCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770967 338286733 /nfs/dbraw/zinc/28/67/33/338286733.db2.gz WJAOXZCXOVNFMR-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436772591 338286777 /nfs/dbraw/zinc/28/67/77/338286777.db2.gz OLOTUIOSIOZBHH-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc(OC)c1 ZINC000436770486 338286827 /nfs/dbraw/zinc/28/68/27/338286827.db2.gz MRFRLFLGKXVAQN-BAQGIRSFSA-N -1 3 324.336 3.630 20 0 DHADHM COc1cc(-c2noc([C@@H](C)OCCC(C)C)n2)ccc1[O-] ZINC000436783804 338287089 /nfs/dbraw/zinc/28/70/89/338287089.db2.gz ITNLFNMNRUKQKN-LLVKDONJSA-N -1 3 306.362 3.575 20 0 DHADHM CCOc1cc(-c2noc(-c3ncccc3Cl)n2)ccc1[O-] ZINC000436783462 338287167 /nfs/dbraw/zinc/28/71/67/338287167.db2.gz MBVQTQZOBDJHKY-UHFFFAOYSA-N -1 3 317.732 3.556 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786481 338287279 /nfs/dbraw/zinc/28/72/79/338287279.db2.gz DHOOQHZPAJMSOG-HNNXBMFYSA-N -1 3 318.417 3.536 20 0 DHADHM COc1cc(-c2noc(-c3cc4ccccc4[nH]3)n2)ccc1[O-] ZINC000436792723 338287688 /nfs/dbraw/zinc/28/76/88/338287688.db2.gz XHYKNRNMRVPVPJ-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM Cc1cccc(C(=O)NCC(C)(C)c2cccc(F)c2)c1[O-] ZINC000436818048 338288488 /nfs/dbraw/zinc/28/84/88/338288488.db2.gz ZSMAQUCEXGOQNL-UHFFFAOYSA-N -1 3 301.361 3.547 20 0 DHADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccccc2[O-])c1 ZINC000436820454 338288695 /nfs/dbraw/zinc/28/86/95/338288695.db2.gz LWJPJUKOOZIRJT-DYVFJYSZSA-N -1 3 311.381 3.624 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000436829917 338289045 /nfs/dbraw/zinc/28/90/45/338289045.db2.gz BOCPLGKIXPILJR-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM CCc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c([O-])c1 ZINC000436834509 338289270 /nfs/dbraw/zinc/28/92/70/338289270.db2.gz PNSXVLSGQNBTNR-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c([O-])c1 ZINC000436840192 338289514 /nfs/dbraw/zinc/28/95/14/338289514.db2.gz OILRSKZLDVMTLP-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000436840138 338289529 /nfs/dbraw/zinc/28/95/29/338289529.db2.gz WDZDHEAKWCELJL-MJGOQNOKSA-N -1 3 321.420 3.998 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000436845258 338289744 /nfs/dbraw/zinc/28/97/44/338289744.db2.gz IRJRQVMXURVYBN-OLZOCXBDSA-N -1 3 305.418 3.688 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436846397 338289762 /nfs/dbraw/zinc/28/97/62/338289762.db2.gz NBSZGOBZWPWLLB-QGZVFWFLSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1oc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1C ZINC000436862811 338290331 /nfs/dbraw/zinc/29/03/31/338290331.db2.gz IHRCOFOZHSNPLZ-UHFFFAOYSA-N -1 3 300.314 3.582 20 0 DHADHM COc1ccc2c(c1)[C@@H](c1nc(-c3ccc([O-])cc3)no1)CC2 ZINC000436869397 338290544 /nfs/dbraw/zinc/29/05/44/338290544.db2.gz LDPNOIONEBEPGL-HNNXBMFYSA-N -1 3 308.337 3.529 20 0 DHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(O)cc1[O-] ZINC000436876012 338291093 /nfs/dbraw/zinc/29/10/93/338291093.db2.gz ZZHFVBFOGPCGSI-INIZCTEOSA-N -1 3 317.772 3.632 20 0 DHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(O)cc1[O-] ZINC000436876013 338291135 /nfs/dbraw/zinc/29/11/35/338291135.db2.gz ZZHFVBFOGPCGSI-MRXNPFEDSA-N -1 3 317.772 3.632 20 0 DHADHM CCOc1ncc(-c2nc(-c3ccc([O-])cc3)no2)cc1Cl ZINC000436886261 338291762 /nfs/dbraw/zinc/29/17/62/338291762.db2.gz GQAJGSSSKONMMD-UHFFFAOYSA-N -1 3 317.732 3.556 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3cnc4ccccc4n3)n2)cc1 ZINC000436890807 338292139 /nfs/dbraw/zinc/29/21/39/338292139.db2.gz CUOZVFCBCBGBLK-YFHOEESVSA-N -1 3 316.320 3.556 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2ccccc2OC(F)F)no1 ZINC000436894334 338292421 /nfs/dbraw/zinc/29/24/21/338292421.db2.gz QQIMAHZUTQUYKS-UHFFFAOYSA-N -1 3 318.279 3.634 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCCCO1 ZINC000436896913 338292475 /nfs/dbraw/zinc/29/24/75/338292475.db2.gz UXRFZZSKGVMVEU-UHFFFAOYSA-N -1 3 311.381 3.541 20 0 DHADHM COc1cccc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436900260 338292711 /nfs/dbraw/zinc/29/27/11/338292711.db2.gz BFZJBWDLWOPLAG-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000436905421 338292937 /nfs/dbraw/zinc/29/29/37/338292937.db2.gz SPEWPONREBFEJR-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cc(F)ccc3C)no2)c1[O-] ZINC000436906440 338292966 /nfs/dbraw/zinc/29/29/66/338292966.db2.gz WALMVNNDZMYJMT-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM Cc1ccc(C(=O)Nc2c3c(nn2C(C)C)CCC3)c([O-])c1C ZINC000436909270 338293165 /nfs/dbraw/zinc/29/31/65/338293165.db2.gz AAYJZZQPKRCTHV-UHFFFAOYSA-N -1 3 313.401 3.527 20 0 DHADHM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436917483 338293193 /nfs/dbraw/zinc/29/31/93/338293193.db2.gz BESKPYOFHUJLFR-HNNXBMFYSA-N -1 3 313.397 3.629 20 0 DHADHM Cc1cccc2c(Cc3noc(-c4ccccc4[O-])n3)c[nH]c21 ZINC000436924228 338293595 /nfs/dbraw/zinc/29/35/95/338293595.db2.gz BTNBEYSAQGQUMF-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCC(C)(C)C1 ZINC000436925357 338293730 /nfs/dbraw/zinc/29/37/30/338293730.db2.gz ZKXFICWLQBMPAY-CYBMUJFWSA-N -1 3 317.429 3.756 20 0 DHADHM COc1c(-c2noc(-c3ccccc3[O-])n2)cnc2ccccc21 ZINC000436930865 338293961 /nfs/dbraw/zinc/29/39/61/338293961.db2.gz JBABNCQWRSVFKH-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1ccc(-c2nc(CNC(=O)c3ccc([O-])c(C)c3)co2)cc1 ZINC000436928182 338294128 /nfs/dbraw/zinc/29/41/28/338294128.db2.gz QPOWIXLFNRQSNT-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM CCCCCn1nc(C)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436936683 338294350 /nfs/dbraw/zinc/29/43/50/338294350.db2.gz GMXGAOOJAUCKPS-UHFFFAOYSA-N -1 3 301.390 3.648 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3n[nH]c4ccccc43)no2)c1 ZINC000436935893 338294521 /nfs/dbraw/zinc/29/45/21/338294521.db2.gz DOXMBQWEFXMCMW-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM COCCn1ccc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc21 ZINC000436939689 338294713 /nfs/dbraw/zinc/29/47/13/338294713.db2.gz PUXWMFUYEGGRDP-UHFFFAOYSA-N -1 3 324.380 3.554 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]1c1ccccc1 ZINC000436950618 338295296 /nfs/dbraw/zinc/29/52/96/338295296.db2.gz POJPHZFTSKSCBY-SFHVURJKSA-N -1 3 307.393 3.858 20 0 DHADHM CO[C@](C)(c1noc(-c2ccc(C(C)C)cc2[O-])n1)C1CC1 ZINC000436953574 338295469 /nfs/dbraw/zinc/29/54/69/338295469.db2.gz AAELOUPCDZVAJU-KRWDZBQOSA-N -1 3 302.374 3.837 20 0 DHADHM COc1cccc(-c2nc([C@H](C)c3ccccc3C)no2)c1[O-] ZINC000436962992 338296024 /nfs/dbraw/zinc/29/60/24/338296024.db2.gz NDPKMXVTOGBDMB-GFCCVEGCSA-N -1 3 310.353 3.911 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ccsc2C1 ZINC000436975444 338296430 /nfs/dbraw/zinc/29/64/30/338296430.db2.gz AEJPZMYBYNDKCW-UHFFFAOYSA-N -1 3 313.422 3.531 20 0 DHADHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436987189 338296860 /nfs/dbraw/zinc/29/68/60/338296860.db2.gz TZMSYQJSGXYUDC-LJQANCHMSA-N -1 3 319.445 3.529 20 0 DHADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1OC(C)C ZINC000436991524 338297045 /nfs/dbraw/zinc/29/70/45/338297045.db2.gz YNUNPKRHOHCYEY-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM Cc1ccc(-c2nc(CSCc3ccco3)no2)c([O-])c1 ZINC000436995324 338297150 /nfs/dbraw/zinc/29/71/50/338297150.db2.gz AUEMMAQXGRZNTK-UHFFFAOYSA-N -1 3 302.355 3.777 20 0 DHADHM CO[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC000437004899 338297499 /nfs/dbraw/zinc/29/74/99/338297499.db2.gz NXDJFAZMORTOPE-SFHVURJKSA-N -1 3 313.397 3.633 20 0 DHADHM COc1cc(C)cc(C(=O)N2CCc3c2cccc3Cl)c1[O-] ZINC000155659323 338300110 /nfs/dbraw/zinc/30/01/10/338300110.db2.gz OJJFVAMYEKTAGB-UHFFFAOYSA-N -1 3 317.772 3.566 20 0 DHADHM CC(C)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000438507387 338346551 /nfs/dbraw/zinc/34/65/51/338346551.db2.gz JOYUTODZIMFGMN-GFCCVEGCSA-N -1 3 311.385 3.560 20 0 DHADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)CCc2ccccc2C1 ZINC000438748237 338351732 /nfs/dbraw/zinc/35/17/32/338351732.db2.gz XPDIWGNWSGEINR-LJQANCHMSA-N -1 3 306.365 3.889 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000438782475 338352048 /nfs/dbraw/zinc/35/20/48/338352048.db2.gz CBPAXRVHLHASLO-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc([C@H](NC(=O)Cc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000448629256 338381727 /nfs/dbraw/zinc/38/17/27/338381727.db2.gz WBHZYMSJIPQVOH-IBGZPJMESA-N -1 3 313.372 3.650 20 0 DHADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448629985 338382013 /nfs/dbraw/zinc/38/20/13/338382013.db2.gz YQUOKSPTEIDHMY-SFHVURJKSA-N -1 3 301.361 3.587 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](C)Sc2ccccc2)c([O-])c1 ZINC000440324588 338385615 /nfs/dbraw/zinc/38/56/15/338385615.db2.gz JYDKQPJVFPJYSF-ZDUSSCGKSA-N -1 3 301.411 3.611 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)Sc2ccccc2)c1 ZINC000440330567 338385645 /nfs/dbraw/zinc/38/56/45/338385645.db2.gz YTIAKRGUJIEKNY-ZDUSSCGKSA-N -1 3 301.411 3.611 20 0 DHADHM CCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000442813547 338433190 /nfs/dbraw/zinc/43/31/90/338433190.db2.gz SQVGJNZRZSAMJQ-LBPRGKRZSA-N -1 3 319.426 3.556 20 0 DHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(Cl)cc1F ZINC000162558094 338634015 /nfs/dbraw/zinc/63/40/15/338634015.db2.gz LLUMWZBJWCFFIZ-WDEREUQCSA-N -1 3 301.789 3.848 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000162892936 338670544 /nfs/dbraw/zinc/67/05/44/338670544.db2.gz FNSGLQUJSYCPAG-KBPBESRZSA-N -1 3 307.459 3.755 20 0 DHADHM C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)CC=CCC1 ZINC000450226306 338672112 /nfs/dbraw/zinc/67/21/12/338672112.db2.gz DVEGAYSGGWDEJZ-OAHLLOKOSA-N -1 3 324.218 3.517 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)c2c([O-])cccc21 ZINC000450939208 338713412 /nfs/dbraw/zinc/71/34/12/338713412.db2.gz PYGNOBJBSLOGBB-SECBINFHSA-N -1 3 324.302 3.893 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)Cc1ccsc1 ZINC000451074473 338720614 /nfs/dbraw/zinc/72/06/14/338720614.db2.gz WPHXARWWYKGVBE-GFCCVEGCSA-N -1 3 321.417 3.615 20 0 DHADHM CC(C)c1ccccc1N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000452140708 338755151 /nfs/dbraw/zinc/75/51/51/338755151.db2.gz RHXUMDZPFKAVRJ-UHFFFAOYSA-N -1 3 301.361 3.860 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CCCCC1(F)F ZINC000452300748 338762149 /nfs/dbraw/zinc/76/21/49/338762149.db2.gz UMVLOVQVFGJZKK-LLVKDONJSA-N -1 3 317.763 3.530 20 0 DHADHM CCCn1ncc(NC(=O)c2ccc(C)c(C)c2[O-])c1C1CC1 ZINC000452978891 338785309 /nfs/dbraw/zinc/78/53/09/338785309.db2.gz HZSZWJKRZMKEQC-UHFFFAOYSA-N -1 3 313.401 3.745 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cncnc2C2CC2)c([O-])c1 ZINC000456078856 338918945 /nfs/dbraw/zinc/91/89/45/338918945.db2.gz ZUQAMODISYWJPF-UHFFFAOYSA-N -1 3 311.385 3.609 20 0 DHADHM COc1ccc(N(CC2CC2)C(=O)c2cccc(C)c2[O-])cc1 ZINC000456184049 338921598 /nfs/dbraw/zinc/92/15/98/338921598.db2.gz VWABEBHVGROHRY-UHFFFAOYSA-N -1 3 311.381 3.766 20 0 DHADHM CCCCN(C(=O)c1ccccc1[O-])[C@@H]1CCCC[C@H]1OC ZINC000456186704 338921617 /nfs/dbraw/zinc/92/16/17/338921617.db2.gz HBPFBJXZKXHUAV-NVXWUHKLSA-N -1 3 305.418 3.592 20 0 DHADHM CC(C)[C@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000457151390 338953236 /nfs/dbraw/zinc/95/32/36/338953236.db2.gz VZWIWHMTGUSAMY-QGZVFWFLSA-N -1 3 305.393 3.501 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)CC(C)(C)C)c[n-]c12 ZINC000457233903 338956689 /nfs/dbraw/zinc/95/66/89/338956689.db2.gz SIKZDARIUBAMIC-NSHDSACASA-N -1 3 318.392 3.530 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCC(F)(F)C2)c1Br ZINC000459434009 339028952 /nfs/dbraw/zinc/02/89/52/339028952.db2.gz CGJIDXRUMXJNRS-SNVBAGLBSA-N -1 3 320.177 3.822 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCCC(F)(F)C2)c1Br ZINC000459434001 339028961 /nfs/dbraw/zinc/02/89/61/339028961.db2.gz CGJIDXRUMXJNRS-JTQLQIEISA-N -1 3 320.177 3.822 20 0 DHADHM C[C@H]1[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1(F)F ZINC000461457658 339064089 /nfs/dbraw/zinc/06/40/89/339064089.db2.gz QOQNYQNPAMNIOO-MEDUHNTESA-N -1 3 317.335 3.823 20 0 DHADHM CCCC[C@H](CC)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000464407476 339141522 /nfs/dbraw/zinc/14/15/22/339141522.db2.gz QVGZUYBAHHEMDZ-NSHDSACASA-N -1 3 310.394 3.569 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@H]3CC)nc2)n1 ZINC000465053247 339166868 /nfs/dbraw/zinc/16/68/68/339166868.db2.gz JZTPNQSMTTZASI-DOMZBBRYSA-N -1 3 312.417 3.797 20 0 DHADHM CCC[C@@]1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000465982582 339189649 /nfs/dbraw/zinc/18/96/49/339189649.db2.gz QMLGPFWHJMJUTI-KRWDZBQOSA-N -1 3 308.397 3.643 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C ZINC000467076730 339225831 /nfs/dbraw/zinc/22/58/31/339225831.db2.gz WKZXFBOVTWTEES-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H]1c1ccccc1 ZINC000468781565 339270769 /nfs/dbraw/zinc/27/07/69/339270769.db2.gz AZBZHWWJYUTGQT-KRWDZBQOSA-N -1 3 313.372 3.828 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)ccc1[O-] ZINC000468842493 339272449 /nfs/dbraw/zinc/27/24/49/339272449.db2.gz DTRCKMWHAGJGGI-HXUWFJFHSA-N -1 3 309.409 3.938 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(c2ccccc2)CC1 ZINC000468965753 339276334 /nfs/dbraw/zinc/27/63/34/339276334.db2.gz NICDVEKNZBTDEO-UHFFFAOYSA-N -1 3 313.372 3.660 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2[n-]1 ZINC000469036498 339278313 /nfs/dbraw/zinc/27/83/13/339278313.db2.gz UDPRNPRJNNYWOS-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2[n-]1 ZINC000469036498 339278314 /nfs/dbraw/zinc/27/83/14/339278314.db2.gz UDPRNPRJNNYWOS-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469374676 339287279 /nfs/dbraw/zinc/28/72/79/339287279.db2.gz FJGYRIUSIWCLSB-UONOGXRCSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000469392639 339287684 /nfs/dbraw/zinc/28/76/84/339287684.db2.gz DZZOYZIGUSYJCY-SECBINFHSA-N -1 3 322.257 3.850 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3ccccc3CC)cc2[n-]1 ZINC000469442006 339289433 /nfs/dbraw/zinc/28/94/33/339289433.db2.gz BYJILEUVPNDIKU-UHFFFAOYSA-N -1 3 309.369 3.776 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3ccccc3CC)ccc2[n-]1 ZINC000469442006 339289434 /nfs/dbraw/zinc/28/94/34/339289434.db2.gz BYJILEUVPNDIKU-UHFFFAOYSA-N -1 3 309.369 3.776 20 0 DHADHM CC(C)(C)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469566685 339293486 /nfs/dbraw/zinc/29/34/86/339293486.db2.gz HPEPKONEWYZJMD-AWEZNQCLSA-N -1 3 307.409 3.749 20 0 DHADHM CC(C)[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469661005 339295077 /nfs/dbraw/zinc/29/50/77/339295077.db2.gz MBKBXGRSEWJYGF-OAHLLOKOSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC12CCC2 ZINC000469821885 339302029 /nfs/dbraw/zinc/30/20/29/339302029.db2.gz PPBYWCLBWWJTHQ-AWEZNQCLSA-N -1 3 319.420 3.893 20 0 DHADHM CCC(CC)(NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000471386287 339343992 /nfs/dbraw/zinc/34/39/92/339343992.db2.gz SDGPHNWKTXVMCR-UHFFFAOYSA-N -1 3 324.833 3.947 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2ccccc2[O-])c(OC2CCC2)n1 ZINC000471785633 339353919 /nfs/dbraw/zinc/35/39/19/339353919.db2.gz FHEJQSMIFLOVRV-UHFFFAOYSA-N -1 3 312.369 3.588 20 0 DHADHM Cc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)c([O-])c1 ZINC000472237156 339366930 /nfs/dbraw/zinc/36/69/30/339366930.db2.gz AYGITIODDMPQQH-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccccc1[C@H]1CN(Cc2cc([O-])cc(F)c2)[C@H](C)CO1 ZINC000473144682 339382506 /nfs/dbraw/zinc/38/25/06/339382506.db2.gz VJYQQWBPMBRDGS-AUUYWEPGSA-N -1 3 315.388 3.802 20 0 DHADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000475527644 339454193 /nfs/dbraw/zinc/45/41/93/339454193.db2.gz DFHQURLLRKWHSJ-INIZCTEOSA-N -1 3 319.401 3.564 20 0 DHADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)C1=CCCCC1 ZINC000477177308 339488618 /nfs/dbraw/zinc/48/86/18/339488618.db2.gz MPKKCTLHHPWTEQ-UHFFFAOYSA-N -1 3 320.408 3.857 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)c1[O-] ZINC000477261026 339490686 /nfs/dbraw/zinc/49/06/86/339490686.db2.gz PKHNPJRAIFDPDN-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM CCc1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)ccc1C ZINC000477318802 339492422 /nfs/dbraw/zinc/49/24/22/339492422.db2.gz ONVUMLLVJCNPFZ-UHFFFAOYSA-N -1 3 323.389 3.506 20 0 DHADHM CCc1cc(=O)[n-]c(CSc2cc(C)nc3ccccc32)n1 ZINC000477357011 339493016 /nfs/dbraw/zinc/49/30/16/339493016.db2.gz SRQDYSVLYSXYRN-UHFFFAOYSA-N -1 3 311.410 3.894 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1 ZINC000477979935 339506651 /nfs/dbraw/zinc/50/66/51/339506651.db2.gz BZLPYYOWUIFECT-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM COc1cccc(F)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000478643361 339519870 /nfs/dbraw/zinc/51/98/70/339519870.db2.gz BLCWUXIWUVMMLB-UHFFFAOYSA-N -1 3 312.300 3.742 20 0 DHADHM CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000479214021 339529268 /nfs/dbraw/zinc/52/92/68/339529268.db2.gz VTNOHLMTENSLFH-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000482013853 339619788 /nfs/dbraw/zinc/61/97/88/339619788.db2.gz YJCQWUVGAYAHMF-GWCFXTLKSA-N -1 3 315.335 3.758 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000486348290 339725689 /nfs/dbraw/zinc/72/56/89/339725689.db2.gz AKZVPDULCXRGFA-MRXNPFEDSA-N -1 3 313.372 3.723 20 0 DHADHM CCc1cc(C(=O)NCC2(Cc3ccccc3)CC2)ccc1[O-] ZINC000486659484 339730600 /nfs/dbraw/zinc/73/06/00/339730600.db2.gz RNHPJRUCFBADKS-UHFFFAOYSA-N -1 3 309.409 3.707 20 0 DHADHM CCc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)ccc1[O-] ZINC000487666944 339760646 /nfs/dbraw/zinc/76/06/46/339760646.db2.gz NMPZEPOVUDKTBA-QAQDUYKDSA-N -1 3 309.409 3.939 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000488255572 339774550 /nfs/dbraw/zinc/77/45/50/339774550.db2.gz OTGHVJBLRHMPAZ-UHFFFAOYSA-N -1 3 319.426 3.837 20 0 DHADHM CCc1cc(C(=O)NCc2ccc(CSC)cc2)ccc1[O-] ZINC000488483697 339785103 /nfs/dbraw/zinc/78/51/03/339785103.db2.gz SQCKVGDPQPNZGC-UHFFFAOYSA-N -1 3 315.438 3.748 20 0 DHADHM O=S(=O)([N-]c1ccccc1-c1c(F)cccc1F)C1CC1 ZINC000488983740 339799063 /nfs/dbraw/zinc/79/90/63/339799063.db2.gz OYNHLSFXBXCIOL-UHFFFAOYSA-N -1 3 309.337 3.536 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)/C=C\c2cncs2)c([O-])c1 ZINC000493825964 339934456 /nfs/dbraw/zinc/93/44/56/339934456.db2.gz QTZOHCPRMKDABO-ALCCZGGFSA-N -1 3 302.399 3.798 20 0 DHADHM Cc1ccc(NC(=O)[N-]c2cnns2)cc1OCCC(C)C ZINC000494661606 339957106 /nfs/dbraw/zinc/95/71/06/339957106.db2.gz OLWBNRPUHIHXQL-UHFFFAOYSA-N -1 3 320.418 3.915 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)ccc1[O-] ZINC000499814922 340045190 /nfs/dbraw/zinc/04/51/90/340045190.db2.gz RYQLIBWUZXILDR-QGZVFWFLSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)ccc1[O-] ZINC000499814921 340045234 /nfs/dbraw/zinc/04/52/34/340045234.db2.gz RYQLIBWUZXILDR-KRWDZBQOSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1cc(C(=O)NCC2(Sc3ccccc3)CC2)ccc1[O-] ZINC000499984874 340048114 /nfs/dbraw/zinc/04/81/14/340048114.db2.gz XHNWIOIFBUZIAV-UHFFFAOYSA-N -1 3 313.422 3.755 20 0 DHADHM Cc1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)ccc1[O-] ZINC000500375159 340055985 /nfs/dbraw/zinc/05/59/85/340055985.db2.gz RQSFDUCAORIHDU-UHFFFAOYSA-N -1 3 313.401 3.734 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500443526 340058942 /nfs/dbraw/zinc/05/89/42/340058942.db2.gz ZCUPOCPNWCZIGX-NEPJUHHUSA-N -1 3 324.471 3.523 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)ccc1[O-] ZINC000500690082 340065197 /nfs/dbraw/zinc/06/51/97/340065197.db2.gz YDHFKOKIFPMXCE-SMDDNHRTSA-N -1 3 319.763 3.779 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)COc2ccsc2)c([O-])c1 ZINC000501976841 340091866 /nfs/dbraw/zinc/09/18/66/340091866.db2.gz NAAZQHHKRYWMEX-UHFFFAOYSA-N -1 3 305.399 3.769 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)cc(OC)c2C)c1 ZINC000504277020 340144217 /nfs/dbraw/zinc/14/42/17/340144217.db2.gz MXJUMFCBOHXEJZ-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)c1F ZINC000507268416 340216240 /nfs/dbraw/zinc/21/62/40/340216240.db2.gz QLPWTBWCRJEJIV-AWEZNQCLSA-N -1 3 303.352 3.735 20 0 DHADHM CCN(Cc1c(F)ccc([O-])c1F)[C@@H](C)c1cccc(O)c1 ZINC000507572826 340225247 /nfs/dbraw/zinc/22/52/47/340225247.db2.gz YUGAJOLOCLICQP-NSHDSACASA-N -1 3 307.340 3.959 20 0 DHADHM Clc1ccccc1-c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000507995829 340237063 /nfs/dbraw/zinc/23/70/63/340237063.db2.gz ZPKBZGUYFCSULY-UHFFFAOYSA-N -1 3 323.743 3.842 20 0 DHADHM COc1c(C)cc(CN(C)Cc2c(F)ccc([O-])c2F)cc1C ZINC000508009523 340237257 /nfs/dbraw/zinc/23/72/57/340237257.db2.gz PZHCIMMLGJOKGM-UHFFFAOYSA-N -1 3 321.367 3.928 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c1F ZINC000508244836 340241368 /nfs/dbraw/zinc/24/13/68/340241368.db2.gz CBACWEGPJCPVDW-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC(C)(C)C3)nc2)n1 ZINC000508338791 340242523 /nfs/dbraw/zinc/24/25/23/340242523.db2.gz IJXVMLVKDKYNGI-AWEZNQCLSA-N -1 3 312.417 3.797 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccccc3F)C2)c1F ZINC000508354642 340242776 /nfs/dbraw/zinc/24/27/76/340242776.db2.gz KSOXHGKPWIJGCN-LLVKDONJSA-N -1 3 307.315 3.799 20 0 DHADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1CCc2ccccc2C1 ZINC000508589443 340247080 /nfs/dbraw/zinc/24/70/80/340247080.db2.gz SIXDZDPZJMQKOJ-CQSZACIVSA-N -1 3 303.352 3.660 20 0 DHADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc([O-])c1 ZINC000509016608 340258393 /nfs/dbraw/zinc/25/83/93/340258393.db2.gz NSQQEYHZJJRDEP-ZDUSSCGKSA-N -1 3 301.308 3.633 20 0 DHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000509068735 340260191 /nfs/dbraw/zinc/26/01/91/340260191.db2.gz KEZIPWUEGQMFNZ-KRWDZBQOSA-N -1 3 315.800 3.700 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)c(C)c1 ZINC000509066641 340260219 /nfs/dbraw/zinc/26/02/19/340260219.db2.gz OBRBOSSWFJLZCC-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000509123514 340261838 /nfs/dbraw/zinc/26/18/38/340261838.db2.gz MNUUSWWDHOLMHL-ZBFHGGJFSA-N -1 3 307.821 3.673 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000509123511 340261854 /nfs/dbraw/zinc/26/18/54/340261854.db2.gz MNUUSWWDHOLMHL-GDBMZVCRSA-N -1 3 307.821 3.673 20 0 DHADHM COc1ccc2nc(NC(=O)c3cccc(C)c3[O-])sc2c1 ZINC000301946482 340265205 /nfs/dbraw/zinc/26/52/05/340265205.db2.gz SDFQLTXQEFCKST-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1[O-] ZINC000302813958 340282872 /nfs/dbraw/zinc/28/28/72/340282872.db2.gz MLDXNAOLQPBHDL-CQSZACIVSA-N -1 3 317.385 3.807 20 0 DHADHM Cc1cccc(C(=O)NCC(C)(C)c2ccccc2F)c1[O-] ZINC000303100115 340302040 /nfs/dbraw/zinc/30/20/40/340302040.db2.gz KSWLSRVACIICMO-UHFFFAOYSA-N -1 3 301.361 3.547 20 0 DHADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)Sc1ccccc1 ZINC000511431971 340327288 /nfs/dbraw/zinc/32/72/88/340327288.db2.gz VMEMCVFBLNTOJN-NSHDSACASA-N -1 3 309.381 3.941 20 0 DHADHM CCC(CC)[C@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000512230450 340353343 /nfs/dbraw/zinc/35/33/43/340353343.db2.gz UELOWQFALZKFMG-BLLLJJGKSA-N -1 3 313.388 3.744 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C ZINC000512569106 340367292 /nfs/dbraw/zinc/36/72/92/340367292.db2.gz PELYWJFQSWJEIP-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCCn1c(=O)[n-]nc1S[C@H]1CCCc2ccc(F)cc21 ZINC000512734912 340375023 /nfs/dbraw/zinc/37/50/23/340375023.db2.gz VEIRYGWYTULIOK-ZDUSSCGKSA-N -1 3 307.394 3.703 20 0 DHADHM Cc1cc(F)cc2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC000513517776 340411979 /nfs/dbraw/zinc/41/19/79/340411979.db2.gz AYLCIXYVJOMAFY-UHFFFAOYSA-N -1 3 307.315 3.676 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000183034531 340486162 /nfs/dbraw/zinc/48/61/62/340486162.db2.gz YMQZMELKQUVQQH-OXJNMPFZSA-N -1 3 307.393 3.933 20 0 DHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183264316 340487173 /nfs/dbraw/zinc/48/71/73/340487173.db2.gz WLNQRBHDQAPXEM-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM Cc1ccc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)c([O-])c1 ZINC000184899204 340496258 /nfs/dbraw/zinc/49/62/58/340496258.db2.gz BIJYDQPWSYQXBB-CYBMUJFWSA-N -1 3 308.381 3.935 20 0 DHADHM CCOc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186252765 340509936 /nfs/dbraw/zinc/50/99/36/340509936.db2.gz GUOWDSVBYZJIGY-CYBMUJFWSA-N -1 3 311.381 3.945 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nc(C)c(C)nc1C ZINC000186731186 340515496 /nfs/dbraw/zinc/51/54/96/340515496.db2.gz FOTDXAICZXNJEF-UHFFFAOYSA-N -1 3 322.368 3.618 20 0 DHADHM CCNc1cc(C)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000191394948 340553947 /nfs/dbraw/zinc/55/39/47/340553947.db2.gz RUTYHRTYDGJAKK-UHFFFAOYSA-N -1 3 318.804 3.967 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000191798680 340559083 /nfs/dbraw/zinc/55/90/83/340559083.db2.gz BXKJFRLKFGKKLJ-UHFFFAOYSA-N -1 3 301.824 3.704 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000522484435 340602550 /nfs/dbraw/zinc/60/25/50/340602550.db2.gz LZYKYUPFGGDKSH-UHFFFAOYSA-N -1 3 324.475 3.887 20 0 DHADHM Cc1[nH]c2c(cccc2C(=O)NCc2ccc([O-])c(F)c2)c1C ZINC000523424358 340623591 /nfs/dbraw/zinc/62/35/91/340623591.db2.gz UMTWCUWFDYNARS-UHFFFAOYSA-N -1 3 312.344 3.559 20 0 DHADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(C)ccc1C ZINC000528801921 340734989 /nfs/dbraw/zinc/73/49/89/340734989.db2.gz YCQWOEPZPWDACT-KRWDZBQOSA-N -1 3 311.429 3.917 20 0 DHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC12CC2 ZINC000528873090 340737770 /nfs/dbraw/zinc/73/77/70/340737770.db2.gz ADFWOCJLGKRJBH-ZDUSSCGKSA-N -1 3 313.319 3.834 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(F)c2)CCC1 ZINC000128240396 340862441 /nfs/dbraw/zinc/86/24/41/340862441.db2.gz ARGAUSJOQAMEJB-UHFFFAOYSA-N -1 3 303.308 3.731 20 0 DHADHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ncccc1[O-] ZINC000539375808 340882934 /nfs/dbraw/zinc/88/29/34/340882934.db2.gz KARZKQQDXWKORD-UHFFFAOYSA-N -1 3 317.414 3.852 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000128609062 340900027 /nfs/dbraw/zinc/90/00/27/340900027.db2.gz NXERNSHRGDOXDI-NWDGAFQWSA-N -1 3 305.736 3.927 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3=CCCCCC3)cc2)n1 ZINC000129696373 340982158 /nfs/dbraw/zinc/98/21/58/340982158.db2.gz ZBYJHLGQDBNVJV-UHFFFAOYSA-N -1 3 323.396 3.574 20 0 DHADHM CCC(CC)n1ncc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000129779787 340986030 /nfs/dbraw/zinc/98/60/30/340986030.db2.gz DFZNXTZHHYIOIW-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc([C@H]2CCCO2)n1 ZINC000130736496 341039918 /nfs/dbraw/zinc/03/99/18/341039918.db2.gz NZBUOIPCRSLMFQ-GFCCVEGCSA-N -1 3 324.789 3.606 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)cc1C(F)(F)F ZINC000131234174 341067317 /nfs/dbraw/zinc/06/73/17/341067317.db2.gz HYSHGBLPCBJDIV-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM C[C@@H](CCNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000544033771 341067514 /nfs/dbraw/zinc/06/75/14/341067514.db2.gz OGWKSVGXPMARGQ-ZDUSSCGKSA-N -1 3 316.376 3.524 20 0 DHADHM CCc1cc(C)c(C(=O)Nc2cc(Br)ccc2[O-])o1 ZINC000131409261 341085242 /nfs/dbraw/zinc/08/52/42/341085242.db2.gz ZXVYYIVZMHPAGV-UHFFFAOYSA-N -1 3 324.174 3.871 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000544668623 341090644 /nfs/dbraw/zinc/09/06/44/341090644.db2.gz VTWPRRPJRLCAGZ-LBPRGKRZSA-N -1 3 323.380 3.559 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000072622684 341094253 /nfs/dbraw/zinc/09/42/53/341094253.db2.gz AVCPUJJVPRAISE-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2c1noc(-c2ccccc2[O-])n1 ZINC000545132831 341109870 /nfs/dbraw/zinc/10/98/70/341109870.db2.gz SLDVNTPWEDIYIT-OAHLLOKOSA-N -1 3 322.364 3.919 20 0 DHADHM COc1ccc([O-])c(C(=O)NC(C)(C)c2cccc(Cl)c2)c1 ZINC000564303208 341170254 /nfs/dbraw/zinc/17/02/54/341170254.db2.gz GSPYEYYKXMHGJR-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM COc1cccc(Cl)c1CC(=O)Nc1ccc(C)cc1[O-] ZINC000133667555 341181261 /nfs/dbraw/zinc/18/12/61/341181261.db2.gz VTLNJIDZGUCPSF-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)cc1F ZINC000133897498 341198192 /nfs/dbraw/zinc/19/81/92/341198192.db2.gz LTSJUEDIDYCDGZ-UHFFFAOYSA-N -1 3 311.715 3.562 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)c(C)o2)c(F)c1F ZINC000547305684 341204519 /nfs/dbraw/zinc/20/45/19/341204519.db2.gz HAVXNPDBVBDMTK-UHFFFAOYSA-N -1 3 311.259 3.769 20 0 DHADHM CC(C)C[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000547320197 341205522 /nfs/dbraw/zinc/20/55/22/341205522.db2.gz KMFACPRCELHLKG-SECBINFHSA-N -1 3 300.196 3.775 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(Cl)o1 ZINC000134216844 341209769 /nfs/dbraw/zinc/20/97/69/341209769.db2.gz ZYOODXSRSDZXRG-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000134976708 341227798 /nfs/dbraw/zinc/22/77/98/341227798.db2.gz OCPQOOQKBUJFKG-GFCCVEGCSA-N -1 3 303.789 3.749 20 0 DHADHM Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c([O-])c1 ZINC000135349489 341237502 /nfs/dbraw/zinc/23/75/02/341237502.db2.gz RELPXYFBFPDDEQ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM COc1ccc(CN(C(=O)c2cccc(C)c2[O-])C2CC2)cc1 ZINC000078430431 341242108 /nfs/dbraw/zinc/24/21/08/341242108.db2.gz WMIJGXGHHUDECR-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000564350645 341260600 /nfs/dbraw/zinc/26/06/00/341260600.db2.gz NUBYMPRWZRBLFW-HOTGVXAUSA-N -1 3 323.408 3.549 20 0 DHADHM CC[C@@H]1[C@@H](C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548490060 341263839 /nfs/dbraw/zinc/26/38/39/341263839.db2.gz QZXBEPVXTFEILG-WCQYABFASA-N -1 3 311.385 3.702 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000079727197 341264664 /nfs/dbraw/zinc/26/46/64/341264664.db2.gz XYLQNXSHHTYRQV-UHFFFAOYSA-N -1 3 324.336 3.672 20 0 DHADHM CSCc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000549181765 341288203 /nfs/dbraw/zinc/28/82/03/341288203.db2.gz XDUGTQZCMGVYMI-UHFFFAOYSA-N -1 3 324.409 3.587 20 0 DHADHM CSC[C@@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459886 341291823 /nfs/dbraw/zinc/29/18/23/341291823.db2.gz OGVVSZCWDWKXMM-CYBMUJFWSA-N -1 3 315.438 3.921 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccc(F)cc2O1 ZINC000551445783 341342036 /nfs/dbraw/zinc/34/20/36/341342036.db2.gz UAHKYYCKJLXRKU-VIFPVBQESA-N -1 3 321.735 3.612 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000551704623 341349489 /nfs/dbraw/zinc/34/94/89/341349489.db2.gz BRIFCFUBGOBBOB-UHFFFAOYSA-N -1 3 310.246 3.706 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(O)c32)c2c([O-])cccc21 ZINC000551960952 341356238 /nfs/dbraw/zinc/35/62/38/341356238.db2.gz DZPMZUUFUHQMMW-DOMZBBRYSA-N -1 3 323.392 3.668 20 0 DHADHM O=S(=O)([N-]c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000084920000 341363756 /nfs/dbraw/zinc/36/37/56/341363756.db2.gz HYQBUZPZRQUBTK-UHFFFAOYSA-N -1 3 309.293 3.512 20 0 DHADHM O=C(COc1ccccc1Cl)Nc1c([O-])cccc1Cl ZINC000552432566 341393449 /nfs/dbraw/zinc/39/34/49/341393449.db2.gz QLDDODJHNXZKDP-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2cccs2)[nH]n1 ZINC000552435756 341393634 /nfs/dbraw/zinc/39/36/34/341393634.db2.gz YJHRPCRKVCWAQU-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc2ccccc2[nH]c1=O ZINC000552781649 341404163 /nfs/dbraw/zinc/40/41/63/341404163.db2.gz QBEYBZCCCVLWHS-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000554694228 341461349 /nfs/dbraw/zinc/46/13/49/341461349.db2.gz FQHISJKOWPECID-VIFPVBQESA-N -1 3 323.443 3.827 20 0 DHADHM Clc1ccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000564623721 341505383 /nfs/dbraw/zinc/50/53/83/341505383.db2.gz PHAHQEKSUWIXEN-BAQGIRSFSA-N -1 3 323.743 3.832 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)c2cccc(Cl)c2O1 ZINC000566821801 341569110 /nfs/dbraw/zinc/56/91/10/341569110.db2.gz WXJUATKYMBTTDB-CYBMUJFWSA-N -1 3 317.772 3.863 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(C4CC4)cn3)n2)ccc1[O-] ZINC000567333232 341595990 /nfs/dbraw/zinc/59/59/90/341595990.db2.gz AAXMHELAASFSLK-UHFFFAOYSA-N -1 3 323.352 3.780 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(Oc2ccccc2)cn1 ZINC000567449246 341606971 /nfs/dbraw/zinc/60/69/71/341606971.db2.gz ZDJFWSTUNZFCFS-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM O=C(c1csc2c1CCCC2)N1CCCc2cccc([O-])c21 ZINC000155616585 341610262 /nfs/dbraw/zinc/61/02/62/341610262.db2.gz SGISPJSMGFQPGS-UHFFFAOYSA-N -1 3 313.422 3.926 20 0 DHADHM CCn1c(C(=O)N2CCCc3cccc([O-])c32)cc2ccccc21 ZINC000155623655 341610366 /nfs/dbraw/zinc/61/03/66/341610366.db2.gz CJVGLQWFEYJJIN-UHFFFAOYSA-N -1 3 320.392 3.960 20 0 DHADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)[C@H](C)c1ccccc1 ZINC000155879084 341614269 /nfs/dbraw/zinc/61/42/69/341614269.db2.gz CWDYDOUIIBYFLY-QWHCGFSZSA-N -1 3 317.816 3.897 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000156639729 341624344 /nfs/dbraw/zinc/62/43/44/341624344.db2.gz AONMSXFQGLXUOZ-UHFFFAOYSA-N -1 3 319.832 3.673 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000568910008 341685042 /nfs/dbraw/zinc/68/50/42/341685042.db2.gz WSEIHPXSZHWQGQ-UHFFFAOYSA-N -1 3 316.304 3.514 20 0 DHADHM O=C([O-])c1ccc(CNCc2cc3c(s2)CCCC3)cc1 ZINC000573575607 341732477 /nfs/dbraw/zinc/73/24/77/341732477.db2.gz AXULFORFJBHONH-UHFFFAOYSA-N -1 3 301.411 3.615 20 0 DHADHM C[C@@H](CCc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000574578322 341762796 /nfs/dbraw/zinc/76/27/96/341762796.db2.gz FLUQQHJUDHRMRB-LBPRGKRZSA-N -1 3 319.368 3.744 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000577393643 341907783 /nfs/dbraw/zinc/90/77/83/341907783.db2.gz OUOXQFOBVTZAKZ-SFHVURJKSA-N -1 3 317.335 3.551 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1SCCc2ccccc21 ZINC000178325647 341951649 /nfs/dbraw/zinc/95/16/49/341951649.db2.gz VTUFFSRUBFHWJT-OAHLLOKOSA-N -1 3 303.358 3.500 20 0 DHADHM CC(C)c1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000130155645 519873811 /nfs/dbraw/zinc/87/38/11/519873811.db2.gz ONKNLAHFKSUSJO-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000155792237 520671489 /nfs/dbraw/zinc/67/14/89/520671489.db2.gz QUVRNJIMAFIOMM-DYVFJYSZSA-N -1 3 312.413 3.569 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000157363269 521714036 /nfs/dbraw/zinc/71/40/36/521714036.db2.gz UDJPSMMJSQGYJM-NSHDSACASA-N -1 3 315.866 3.578 20 0 DHADHM CC[C@H](C)Oc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156861764 521770915 /nfs/dbraw/zinc/77/09/15/521770915.db2.gz MDLFGHWDPOJBEH-JTQLQIEISA-N -1 3 320.311 3.869 20 0 DHADHM CCSc1nnc([N-]C(=O)c2sccc2SC)s1 ZINC000337247089 521797723 /nfs/dbraw/zinc/79/77/23/521797723.db2.gz JWOQTKLYURGGLN-UHFFFAOYSA-N -1 3 317.486 3.686 20 0 DHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265701073 521891926 /nfs/dbraw/zinc/89/19/26/521891926.db2.gz QSBPUCSLIUPSGG-GUYCJALGSA-N -1 3 312.413 3.981 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc([O-])c2)s1 ZINC000182497542 522218534 /nfs/dbraw/zinc/21/85/34/522218534.db2.gz WTJMKVJIFSQROD-LLVKDONJSA-N -1 3 304.415 3.553 20 0 DHADHM CC[C@@H](C)[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265646245 522403148 /nfs/dbraw/zinc/40/31/48/522403148.db2.gz LVQZRNBELTYFJH-DGCLKSJQSA-N -1 3 305.447 3.798 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cccc(Cl)c1F ZINC000283889216 534634507 /nfs/dbraw/zinc/63/45/07/534634507.db2.gz INLCYUPJALYCIA-NSHDSACASA-N -1 3 301.789 3.848 20 0 DHADHM CCn1nc(NC(=O)c2cc(Cl)c(Cl)[n-]2)cc1C1CC1 ZINC000267355420 523683278 /nfs/dbraw/zinc/68/32/78/523683278.db2.gz BDJLZERYKZXCLD-UHFFFAOYSA-N -1 3 313.188 3.668 20 0 DHADHM CO[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000186285256 523822696 /nfs/dbraw/zinc/82/26/96/523822696.db2.gz IQEOULFYIPTLSV-ACJLOTCBSA-N -1 3 311.381 3.620 20 0 DHADHM COc1ccc(N(C(=O)c2cccc([O-])c2)[C@@H](C)C2CC2)cc1 ZINC000182271615 524338952 /nfs/dbraw/zinc/33/89/52/524338952.db2.gz LZJKJSJXTPJDCE-ZDUSSCGKSA-N -1 3 311.381 3.846 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C(F)(F)F)cn2)n1 ZINC000155904775 525348199 /nfs/dbraw/zinc/34/81/99/525348199.db2.gz HDGHGURSOSNLCC-QMMMGPOBSA-N -1 3 315.320 3.758 20 0 DHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265694076 525354841 /nfs/dbraw/zinc/35/48/41/525354841.db2.gz XBZIDWVWCVOORD-IIYDPXPESA-N -1 3 310.397 3.734 20 0 DHADHM Cc1cc([C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)cs1 ZINC000368415982 525549813 /nfs/dbraw/zinc/54/98/13/525549813.db2.gz GQBGBWRPOIQBSA-ZDUSSCGKSA-N -1 3 301.411 3.700 20 0 DHADHM CSc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000156158418 526034264 /nfs/dbraw/zinc/03/42/64/526034264.db2.gz QVLDBRJNLXDOLR-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000156158418 526034279 /nfs/dbraw/zinc/03/42/79/526034279.db2.gz QVLDBRJNLXDOLR-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c([O-])c1 ZINC000267766492 526071667 /nfs/dbraw/zinc/07/16/67/526071667.db2.gz SCUQKVAMBHIMPI-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM Cc1cnc([C@H](C)NCc2ccc([O-])c3nc(C)ccc23)s1 ZINC000338297674 526158919 /nfs/dbraw/zinc/15/89/19/526158919.db2.gz QQPXKIMCPKLMPH-LBPRGKRZSA-N -1 3 313.426 3.865 20 0 DHADHM C[C@H](C1CCCCC1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000338375147 526216103 /nfs/dbraw/zinc/21/61/03/526216103.db2.gz UZPCDRPBJKFLTQ-LLVKDONJSA-N -1 3 305.447 3.798 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1c(Cl)cccc1Cl)C2 ZINC000262182144 526297913 /nfs/dbraw/zinc/29/79/13/526297913.db2.gz QBMVGIFWRMUKBS-ZUZCIYMTSA-N -1 3 314.212 3.680 20 0 DHADHM [O-]c1cccc(CNCc2ccc(-n3cccn3)cc2)c1Cl ZINC000339185867 526359003 /nfs/dbraw/zinc/35/90/03/526359003.db2.gz YONQHLHWRXBWMT-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000162646686 526845393 /nfs/dbraw/zinc/84/53/93/526845393.db2.gz HNTHKWNSPRKHPW-CABCVRRESA-N -1 3 323.314 3.944 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000339257208 527334177 /nfs/dbraw/zinc/33/41/77/527334177.db2.gz MXRSDBIJTARZFT-UHFFFAOYSA-N -1 3 305.206 3.618 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000339257208 527334183 /nfs/dbraw/zinc/33/41/83/527334183.db2.gz MXRSDBIJTARZFT-UHFFFAOYSA-N -1 3 305.206 3.618 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339302862 527504208 /nfs/dbraw/zinc/50/42/08/527504208.db2.gz RACIWGXDKPFYTL-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339302862 527504211 /nfs/dbraw/zinc/50/42/11/527504211.db2.gz RACIWGXDKPFYTL-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339302862 527504219 /nfs/dbraw/zinc/50/42/19/527504219.db2.gz RACIWGXDKPFYTL-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM Cc1nn(C)cc1[C@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000189602257 527700603 /nfs/dbraw/zinc/70/06/03/527700603.db2.gz KDCMKZZNIVMEGZ-VIFPVBQESA-N -1 3 317.780 3.605 20 0 DHADHM CCCc1csc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000297976693 535461618 /nfs/dbraw/zinc/46/16/18/535461618.db2.gz QITSBNVOHDJGES-UHFFFAOYSA-N -1 3 321.349 3.823 20 0 DHADHM CC(C)c1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735931978 598933905 /nfs/dbraw/zinc/93/39/05/598933905.db2.gz HWYLFKGNHOOJBB-UHFFFAOYSA-N -1 3 315.764 3.831 20 0 DHADHM CC(C)c1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735931978 598933907 /nfs/dbraw/zinc/93/39/07/598933907.db2.gz HWYLFKGNHOOJBB-UHFFFAOYSA-N -1 3 315.764 3.831 20 0 DHADHM Cc1c2ccccc2oc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737211657 599058762 /nfs/dbraw/zinc/05/87/62/599058762.db2.gz NNCZWLVEHQMFBU-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821049272 599150660 /nfs/dbraw/zinc/15/06/60/599150660.db2.gz JWZFDBXFESNOTI-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821049272 599150663 /nfs/dbraw/zinc/15/06/63/599150663.db2.gz JWZFDBXFESNOTI-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM C[C@H](CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736046827 599168241 /nfs/dbraw/zinc/16/82/41/599168241.db2.gz NWEXUFJVBXYDLS-LLVKDONJSA-N -1 3 314.389 3.902 20 0 DHADHM C[C@H](CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736046827 599168243 /nfs/dbraw/zinc/16/82/43/599168243.db2.gz NWEXUFJVBXYDLS-LLVKDONJSA-N -1 3 314.389 3.902 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000820461710 599213569 /nfs/dbraw/zinc/21/35/69/599213569.db2.gz QIYMPINXGGUITJ-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000820461710 599213570 /nfs/dbraw/zinc/21/35/70/599213570.db2.gz QIYMPINXGGUITJ-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM CC(C)CCn1cccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000817872165 597136841 /nfs/dbraw/zinc/13/68/41/597136841.db2.gz XYVPBAQIFDXNEE-UHFFFAOYSA-N -1 3 300.402 3.522 20 0 DHADHM CCc1nc2c(s1)[C@@H](NCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000818343607 597244707 /nfs/dbraw/zinc/24/47/07/597244707.db2.gz KPPUUZYDBHGJLM-ZDUSSCGKSA-N -1 3 316.426 3.571 20 0 DHADHM C[C@H](Sc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190385 599284738 /nfs/dbraw/zinc/28/47/38/599284738.db2.gz DQHQPKJVWNWKIF-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190385 599284741 /nfs/dbraw/zinc/28/47/41/599284741.db2.gz DQHQPKJVWNWKIF-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM COc1ccc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737114658 599288353 /nfs/dbraw/zinc/28/83/53/599288353.db2.gz IPJRDUZGOXGEEH-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1ccc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737114658 599288355 /nfs/dbraw/zinc/28/83/55/599288355.db2.gz IPJRDUZGOXGEEH-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000737320682 598243196 /nfs/dbraw/zinc/24/31/96/598243196.db2.gz NPSOWJJQVXCFRB-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C(F)F)c1 ZINC000737640301 598250041 /nfs/dbraw/zinc/25/00/41/598250041.db2.gz MQPDTYSWTIQNQA-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C(F)F)c1 ZINC000737640301 598250042 /nfs/dbraw/zinc/25/00/42/598250042.db2.gz MQPDTYSWTIQNQA-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736330302 598277504 /nfs/dbraw/zinc/27/75/04/598277504.db2.gz CDSGCSZMGWLWHQ-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736330302 598277506 /nfs/dbraw/zinc/27/75/06/598277506.db2.gz CDSGCSZMGWLWHQ-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1csc2ccccc12 ZINC000736138850 598362445 /nfs/dbraw/zinc/36/24/45/598362445.db2.gz RXGNZLHLLRJZKG-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1csc2ccccc12 ZINC000736138850 598362446 /nfs/dbraw/zinc/36/24/46/598362446.db2.gz RXGNZLHLLRJZKG-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC000736138522 598426936 /nfs/dbraw/zinc/42/69/36/598426936.db2.gz NFSULAQICRSQDP-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC000736138522 598426937 /nfs/dbraw/zinc/42/69/37/598426937.db2.gz NFSULAQICRSQDP-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](CCc1ccco1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735993438 598506574 /nfs/dbraw/zinc/50/65/74/598506574.db2.gz RYBFOTVWPDYTOF-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](CCc1ccco1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735993438 598506576 /nfs/dbraw/zinc/50/65/76/598506576.db2.gz RYBFOTVWPDYTOF-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM Clc1ccc(NCc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000737573506 598506991 /nfs/dbraw/zinc/50/69/91/598506991.db2.gz ISVHEBOTKXNBBB-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000737573506 598506993 /nfs/dbraw/zinc/50/69/93/598506993.db2.gz ISVHEBOTKXNBBB-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM C[C@H](CN(Cc1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000563541640 600977199 /nfs/dbraw/zinc/97/71/99/600977199.db2.gz PEZJKIIQZJMYSV-SECBINFHSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066860 598655897 /nfs/dbraw/zinc/65/58/97/598655897.db2.gz RBAWDUFWIPGZEE-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066860 598655898 /nfs/dbraw/zinc/65/58/98/598655898.db2.gz RBAWDUFWIPGZEE-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM Cc1cc(C)c(C)c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737247531 598674660 /nfs/dbraw/zinc/67/46/60/598674660.db2.gz XDLIRCXSRFLBAQ-UHFFFAOYSA-N -1 3 312.348 3.510 20 0 DHADHM Cc1cc(C)c(C)c(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737247531 598674662 /nfs/dbraw/zinc/67/46/62/598674662.db2.gz XDLIRCXSRFLBAQ-UHFFFAOYSA-N -1 3 312.348 3.510 20 0 DHADHM Cc1ccccc1[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000737424786 598788941 /nfs/dbraw/zinc/78/89/41/598788941.db2.gz XLHJJASKBOHUBC-QGZVFWFLSA-N -1 3 323.375 3.877 20 0 DHADHM Cc1ccccc1[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000737424786 598788942 /nfs/dbraw/zinc/78/89/42/598788942.db2.gz XLHJJASKBOHUBC-QGZVFWFLSA-N -1 3 323.375 3.877 20 0 DHADHM C[C@@H](SCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191886 599332931 /nfs/dbraw/zinc/33/29/31/599332931.db2.gz XMWFNECHEGLRJC-CYBMUJFWSA-N -1 3 310.426 3.904 20 0 DHADHM C[C@@H](SCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191886 599332934 /nfs/dbraw/zinc/33/29/34/599332934.db2.gz XMWFNECHEGLRJC-CYBMUJFWSA-N -1 3 310.426 3.904 20 0 DHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821138879 599367250 /nfs/dbraw/zinc/36/72/50/599367250.db2.gz JAVMCMDITSANAY-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821138879 599367254 /nfs/dbraw/zinc/36/72/54/599367254.db2.gz JAVMCMDITSANAY-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460713 599376583 /nfs/dbraw/zinc/37/65/83/599376583.db2.gz AGEAJFMYQICBJR-NSHDSACASA-N -1 3 304.357 3.521 20 0 DHADHM C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460713 599376586 /nfs/dbraw/zinc/37/65/86/599376586.db2.gz AGEAJFMYQICBJR-NSHDSACASA-N -1 3 304.357 3.521 20 0 DHADHM Cc1cc(C)c(CNc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822194118 599503561 /nfs/dbraw/zinc/50/35/61/599503561.db2.gz JORXORFCMHSIGE-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cc(C)c(CNc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822194118 599503564 /nfs/dbraw/zinc/50/35/64/599503564.db2.gz JORXORFCMHSIGE-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Clc1cc(Cl)cc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000203883069 599517659 /nfs/dbraw/zinc/51/76/59/599517659.db2.gz DQKKUEXJARYNNN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cc(Cl)cc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000203883069 599517662 /nfs/dbraw/zinc/51/76/62/599517662.db2.gz DQKKUEXJARYNNN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CC[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736328059 599522664 /nfs/dbraw/zinc/52/26/64/599522664.db2.gz NPEYVJIYFQRPBF-LLVKDONJSA-N -1 3 311.414 3.819 20 0 DHADHM CC[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736328059 599522667 /nfs/dbraw/zinc/52/26/67/599522667.db2.gz NPEYVJIYFQRPBF-LLVKDONJSA-N -1 3 311.414 3.819 20 0 DHADHM CCCCCC[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821050240 599623111 /nfs/dbraw/zinc/62/31/11/599623111.db2.gz PUPRKOZOWRZLEY-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCCC[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821050240 599623112 /nfs/dbraw/zinc/62/31/12/599623112.db2.gz PUPRKOZOWRZLEY-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM O=C([O-])c1coc(CN2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000740268221 599849302 /nfs/dbraw/zinc/84/93/02/599849302.db2.gz FEAPKKCWNTUQEO-UHFFFAOYSA-N -1 3 324.380 3.839 20 0 DHADHM CC1CCC(OC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000516479768 599866809 /nfs/dbraw/zinc/86/68/09/599866809.db2.gz WFIXAECTXNYQJA-UHFFFAOYSA-N -1 3 321.417 3.538 20 0 DHADHM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650506722 599937639 /nfs/dbraw/zinc/93/76/39/599937639.db2.gz YAQRBTNIULAYQZ-CYBMUJFWSA-N -1 3 320.414 3.541 20 0 DHADHM CN(Cc1cccc(Cl)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264901 600081996 /nfs/dbraw/zinc/08/19/96/600081996.db2.gz FWNFQROHJOOPDT-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000314447546 600220229 /nfs/dbraw/zinc/22/02/29/600220229.db2.gz CRVVIPNAJMDYNX-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM O=C([O-])c1cccc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000666573381 600412058 /nfs/dbraw/zinc/41/20/58/600412058.db2.gz DQALYSNTZMFKBK-KRWDZBQOSA-N -1 3 313.422 3.675 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000736661980 600416972 /nfs/dbraw/zinc/41/69/72/600416972.db2.gz KJAZCHGXQQYYQZ-BJOHPYRUSA-N -1 3 309.287 3.580 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000736662075 600417068 /nfs/dbraw/zinc/41/70/68/600417068.db2.gz LHYLWOXGIIOJKU-MEBBXXQBSA-N -1 3 307.752 3.956 20 0 DHADHM Cc1ccc([C@@H]2CCCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000565720108 600442007 /nfs/dbraw/zinc/44/20/07/600442007.db2.gz DQVJDHMXTIAJCP-AWEZNQCLSA-N -1 3 303.358 3.997 20 0 DHADHM CC[C@H](NCc1ccc(OC)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736920425 600452785 /nfs/dbraw/zinc/45/27/85/600452785.db2.gz OCKQBPZGHQMIQS-INIZCTEOSA-N -1 3 317.360 3.773 20 0 DHADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000736664711 600639899 /nfs/dbraw/zinc/63/98/99/600639899.db2.gz RFBWJRDTXBMESK-LBPRGKRZSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000736664709 600639902 /nfs/dbraw/zinc/63/99/02/600639902.db2.gz RFBWJRDTXBMESK-GFCCVEGCSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000568066979 600716266 /nfs/dbraw/zinc/71/62/66/600716266.db2.gz IZJPJZSIZYXJCH-NEPJUHHUSA-N -1 3 316.426 3.739 20 0 DHADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832921072 600744404 /nfs/dbraw/zinc/74/44/04/600744404.db2.gz KTTHGCHUIRTWGA-DYVFJYSZSA-N -1 3 301.361 3.919 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000578660339 600973001 /nfs/dbraw/zinc/97/30/01/600973001.db2.gz CRMORGCTCAWLER-HOTGVXAUSA-N -1 3 321.417 3.538 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000828672711 601432887 /nfs/dbraw/zinc/43/28/87/601432887.db2.gz VKQAAHGIQXBZNN-CQSZACIVSA-N -1 3 310.444 3.605 20 0 DHADHM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@@H]1C ZINC000828295507 601451141 /nfs/dbraw/zinc/45/11/41/601451141.db2.gz ISZKOTTZBLPAKV-VXGBXAGGSA-N -1 3 316.426 3.739 20 0 DHADHM CSc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832774612 601644486 /nfs/dbraw/zinc/64/44/86/601644486.db2.gz SDZSLXVASZNKIA-INIZCTEOSA-N -1 3 319.401 3.772 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000520240362 601806611 /nfs/dbraw/zinc/80/66/11/601806611.db2.gz UJTRJXSLXYFAAL-NSHDSACASA-N -1 3 305.399 3.648 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133614 601919670 /nfs/dbraw/zinc/91/96/70/601919670.db2.gz RIMCFVGILURIRE-UONOGXRCSA-N -1 3 313.850 3.683 20 0 DHADHM COc1ccc(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000576114489 601937752 /nfs/dbraw/zinc/93/77/52/601937752.db2.gz WCYWPNAHUMRYKS-UHFFFAOYSA-N -1 3 317.410 3.620 20 0 DHADHM CCc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)o1 ZINC000830238664 601957454 /nfs/dbraw/zinc/95/74/54/601957454.db2.gz SVGXYBPEMDWATL-CYBMUJFWSA-N -1 3 305.399 3.939 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833168693 601981050 /nfs/dbraw/zinc/98/10/50/601981050.db2.gz ZHIRSJAXMFKCGQ-KCJUWKMLSA-N -1 3 324.154 3.897 20 0 DHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000832341376 602178412 /nfs/dbraw/zinc/17/84/12/602178412.db2.gz KHDYUQWLKNFKII-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2cccs2)o1 ZINC000828804453 602210613 /nfs/dbraw/zinc/21/06/13/602210613.db2.gz NICLVSZOGMBUKQ-UHFFFAOYSA-N -1 3 308.403 3.526 20 0 DHADHM O=C([O-])Nc1ccc(CNCc2cc3ccccc3s2)cn1 ZINC000832842177 603542528 /nfs/dbraw/zinc/54/25/28/603542528.db2.gz PPJDUXNYMOYKBR-UHFFFAOYSA-N -1 3 313.382 3.676 20 0 DHADHM CC(C)Oc1cccc(CN(C)Cc2ccccc2C(=O)[O-])c1 ZINC000570287163 604678806 /nfs/dbraw/zinc/67/88/06/604678806.db2.gz VGRSVQZMNIWCAP-UHFFFAOYSA-N -1 3 313.397 3.804 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572729285 604757905 /nfs/dbraw/zinc/75/79/05/604757905.db2.gz WQXYOLNXHOTRJY-KBPBESRZSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@@]1(NCc2csc(-c3ccco3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571380 604813286 /nfs/dbraw/zinc/81/32/86/604813286.db2.gz XTHAXILLKBRSRB-BLLLJJGKSA-N -1 3 320.414 3.526 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000317666674 604939789 /nfs/dbraw/zinc/93/97/89/604939789.db2.gz JZSPEOJZSCLRQG-LBPRGKRZSA-N -1 3 318.442 3.619 20 0 DHADHM C[C@H](c1c(F)cccc1F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000317297366 604951790 /nfs/dbraw/zinc/95/17/90/604951790.db2.gz RHJRCBOZFHYWFM-VXGBXAGGSA-N -1 3 311.372 3.849 20 0 DHADHM CCSc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830169711 604998699 /nfs/dbraw/zinc/99/86/99/604998699.db2.gz WLIBOCIUZUQRIT-WBMJQRKESA-N -1 3 316.426 3.670 20 0 DHADHM CCc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000833670518 605003006 /nfs/dbraw/zinc/00/30/06/605003006.db2.gz NMZXVATXNCOQJC-CQSZACIVSA-N -1 3 313.397 3.563 20 0 DHADHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1OC ZINC000833644028 605079867 /nfs/dbraw/zinc/07/98/67/605079867.db2.gz KKDCWRRDOKGMNT-ZDUSSCGKSA-N -1 3 305.399 3.696 20 0 DHADHM C[C@H](NCCc1ccc(NC(=O)[O-])cc1)c1cccnc1Cl ZINC000825503661 605109924 /nfs/dbraw/zinc/10/99/24/605109924.db2.gz WPACQXDKHGFOSA-NSHDSACASA-N -1 3 319.792 3.718 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@@H]2c2ccc(F)cc2)O1 ZINC000833585752 605352751 /nfs/dbraw/zinc/35/27/51/605352751.db2.gz UWZHWYIHIUVKKB-DOTOQJQBSA-N -1 3 319.376 3.500 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCc3ccccc32)c2ccccc21 ZINC000834159480 605789810 /nfs/dbraw/zinc/78/98/10/605789810.db2.gz PTAWASQGCRCXCE-RCCFBDPRSA-N -1 3 308.381 3.717 20 0 DHADHM C[C@@]1(NCc2cc(C(=O)[O-])ccc2F)CCCc2ccccc21 ZINC000833572460 605840440 /nfs/dbraw/zinc/84/04/40/605840440.db2.gz UEUFWTSASPZJGY-LJQANCHMSA-N -1 3 313.372 3.865 20 0 DHADHM CCCCCC[C@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821050866 606266045 /nfs/dbraw/zinc/26/60/45/606266045.db2.gz UXRRYMJKIXKYJY-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCCC[C@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821050866 606266047 /nfs/dbraw/zinc/26/60/47/606266047.db2.gz UXRRYMJKIXKYJY-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820455526 606421832 /nfs/dbraw/zinc/42/18/32/606421832.db2.gz JCXKPIISAXBYBI-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822191162 606450502 /nfs/dbraw/zinc/45/05/02/606450502.db2.gz GRWHHHWLRNAWGW-VIFPVBQESA-N -1 3 317.393 3.857 20 0 DHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)ccc1C ZINC000821309478 606599867 /nfs/dbraw/zinc/59/98/67/606599867.db2.gz OESBIEGWZZZCHX-UHFFFAOYSA-N -1 3 322.416 3.527 20 0 DHADHM Cc1cccc(C(C)C)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822289088 606638724 /nfs/dbraw/zinc/63/87/24/606638724.db2.gz RCAUXWSNOAHYGC-UHFFFAOYSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1cccc(C(C)C)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822289088 606638725 /nfs/dbraw/zinc/63/87/25/606638725.db2.gz RCAUXWSNOAHYGC-UHFFFAOYSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1ccc(Cl)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822239896 606926330 /nfs/dbraw/zinc/92/63/30/606926330.db2.gz JRRKLYXYEDVZLK-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822239896 606926332 /nfs/dbraw/zinc/92/63/32/606926332.db2.gz JRRKLYXYEDVZLK-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822331270 607008806 /nfs/dbraw/zinc/00/88/06/607008806.db2.gz AYVKLVOQBLQDFL-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822331270 607008807 /nfs/dbraw/zinc/00/88/07/607008807.db2.gz AYVKLVOQBLQDFL-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822786748 607012092 /nfs/dbraw/zinc/01/20/92/607012092.db2.gz OMMNPVKWMVJIBE-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822786748 607012093 /nfs/dbraw/zinc/01/20/93/607012093.db2.gz OMMNPVKWMVJIBE-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM Cc1csc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826320988 607843790 /nfs/dbraw/zinc/84/37/90/607843790.db2.gz MTXFIDTXCJXMLB-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1csc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826320988 607843791 /nfs/dbraw/zinc/84/37/91/607843791.db2.gz MTXFIDTXCJXMLB-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Fc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826376324 608396971 /nfs/dbraw/zinc/39/69/71/608396971.db2.gz YCYSKEXCICHTQZ-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826376324 608396973 /nfs/dbraw/zinc/39/69/73/608396973.db2.gz YCYSKEXCICHTQZ-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM CCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1CC ZINC000825717404 608428985 /nfs/dbraw/zinc/42/89/85/608428985.db2.gz JVANKVBMOTVWTN-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM CCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1CC ZINC000825717404 608428987 /nfs/dbraw/zinc/42/89/87/608428987.db2.gz JVANKVBMOTVWTN-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826293091 608669485 /nfs/dbraw/zinc/66/94/85/608669485.db2.gz AIPRLBQJWTXQHD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826293091 608669486 /nfs/dbraw/zinc/66/94/86/608669486.db2.gz AIPRLBQJWTXQHD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC000826299669 609158331 /nfs/dbraw/zinc/15/83/31/609158331.db2.gz PFHXZGGMBKOSTQ-SFHVURJKSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC000826299669 609158332 /nfs/dbraw/zinc/15/83/32/609158332.db2.gz PFHXZGGMBKOSTQ-SFHVURJKSA-N -1 3 319.412 3.973 20 0 DHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825342206 609237084 /nfs/dbraw/zinc/23/70/84/609237084.db2.gz RCTKXKACSSHEEG-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825342206 609237086 /nfs/dbraw/zinc/23/70/86/609237086.db2.gz RCTKXKACSSHEEG-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM C[C@H](Nc1ccc(C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658065 609254229 /nfs/dbraw/zinc/25/42/29/609254229.db2.gz UXZXZMPDMSIAIE-LBPRGKRZSA-N -1 3 305.385 3.917 20 0 DHADHM C[C@H](Nc1ccc(C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658065 609254231 /nfs/dbraw/zinc/25/42/31/609254231.db2.gz UXZXZMPDMSIAIE-LBPRGKRZSA-N -1 3 305.385 3.917 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826291681 609267728 /nfs/dbraw/zinc/26/77/28/609267728.db2.gz QTZQAMURNVDMAB-GOSISDBHSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826291681 609267729 /nfs/dbraw/zinc/26/77/29/609267729.db2.gz QTZQAMURNVDMAB-GOSISDBHSA-N -1 3 319.412 3.973 20 0 DHADHM FCc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826370052 609268305 /nfs/dbraw/zinc/26/83/05/609268305.db2.gz BIZZYCXJIQTFLY-UHFFFAOYSA-N -1 3 317.755 3.602 20 0 DHADHM FCc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826370052 609268308 /nfs/dbraw/zinc/26/83/08/609268308.db2.gz BIZZYCXJIQTFLY-UHFFFAOYSA-N -1 3 317.755 3.602 20 0 DHADHM FCc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826370318 609268397 /nfs/dbraw/zinc/26/83/97/609268397.db2.gz NFMVUGMEYHABLL-UHFFFAOYSA-N -1 3 318.352 3.768 20 0 DHADHM FCc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826370318 609268398 /nfs/dbraw/zinc/26/83/98/609268398.db2.gz NFMVUGMEYHABLL-UHFFFAOYSA-N -1 3 318.352 3.768 20 0 DHADHM O=C([O-])[C@H]1CN(Cc2ccc(C(F)F)cc2)Cc2ccccc21 ZINC000321972606 970831418 /nfs/dbraw/zinc/83/14/18/970831418.db2.gz RVVASIGKYSZDBS-INIZCTEOSA-N -1 3 317.335 3.808 20 0 DHADHM CC(C)c1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000020513974 944604278 /nfs/dbraw/zinc/60/42/78/944604278.db2.gz ZKIQNMVHLOBOMS-UHFFFAOYSA-N -1 3 322.372 3.634 20 0 DHADHM CC(C)c1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000020513974 944604283 /nfs/dbraw/zinc/60/42/83/944604283.db2.gz ZKIQNMVHLOBOMS-UHFFFAOYSA-N -1 3 322.372 3.634 20 0 DHADHM O=C([O-])c1cccc(CN2CC(c3ccc(Cl)cc3)C2)c1 ZINC001602436734 971197274 /nfs/dbraw/zinc/19/72/74/971197274.db2.gz KEBCGAVSFGQDRR-UHFFFAOYSA-N -1 3 301.773 3.638 20 0 DHADHM Clc1cccc(NCc2ccccc2-c2nnn[n-]2)c1Cl ZINC000822585985 946131395 /nfs/dbraw/zinc/13/13/95/946131395.db2.gz PXZYDXGJJRLKBN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(NCc2ccccc2-c2nn[n-]n2)c1Cl ZINC000822585985 946131404 /nfs/dbraw/zinc/13/14/04/946131404.db2.gz PXZYDXGJJRLKBN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CC(C)OCc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000573575664 953675382 /nfs/dbraw/zinc/67/53/82/953675382.db2.gz JTMLDIHOOIYOEF-UHFFFAOYSA-N -1 3 313.397 3.600 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647376404 953957866 /nfs/dbraw/zinc/95/78/66/953957866.db2.gz RWCHALSHRZSDTK-CYBMUJFWSA-N -1 3 314.385 3.589 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1C1CC1 ZINC000652514385 954091867 /nfs/dbraw/zinc/09/18/67/954091867.db2.gz YMCHLLXULRHNPQ-NWDGAFQWSA-N -1 3 314.212 3.536 20 0 DHADHM CC(C)COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000683176871 954603713 /nfs/dbraw/zinc/60/37/13/954603713.db2.gz VKGLUUTYSWDIJB-UHFFFAOYSA-N -1 3 313.397 3.709 20 0 DHADHM Cc1cccc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC001594398213 958795472 /nfs/dbraw/zinc/79/54/72/958795472.db2.gz UIACTULLNIPISI-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([O-])c1 ZINC000894386552 1013232417 /nfs/dbraw/zinc/23/24/17/1013232417.db2.gz JGTRJMORVWDIMD-NHYWBVRUSA-N -1 3 313.319 3.505 20 0 DHADHM CS[C@@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743928 961225587 /nfs/dbraw/zinc/22/55/87/961225587.db2.gz JPQKKGMLPQLYGW-CHWSQXEVSA-N -1 3 313.850 3.754 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(C)c(OC)cc2Cl)c1 ZINC000519472972 1013325711 /nfs/dbraw/zinc/32/57/11/1013325711.db2.gz LTHFETLMUXKNQY-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263415015 962583864 /nfs/dbraw/zinc/58/38/64/962583864.db2.gz MWIMEPJCERWOHO-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000263428443 962603374 /nfs/dbraw/zinc/60/33/74/962603374.db2.gz RINWQCGBEVKLKZ-MRXNPFEDSA-N -1 3 315.344 3.527 20 0 DHADHM CCCC(CCC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001266467179 1013477027 /nfs/dbraw/zinc/47/70/27/1013477027.db2.gz HXJXUWKEHPGLAE-UHFFFAOYSA-N -1 3 317.389 3.504 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000129302668 1013550057 /nfs/dbraw/zinc/55/00/57/1013550057.db2.gz KOSWQCQJDYRMTB-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1nc(C(=O)[N-]c2nc(-c3ccccc3)ns2)sc1C ZINC000683539010 1013597157 /nfs/dbraw/zinc/59/71/57/1013597157.db2.gz DQMCJGDIGUVNOW-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM CCOC(=O)c1c(C)nsc1Nc1cccc(Cl)c1[O-] ZINC001210215347 1013700005 /nfs/dbraw/zinc/70/00/05/1013700005.db2.gz FHDNTJMLYPFNHD-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM O=c1cc(C(F)(F)F)nc(C=Cc2scnc2C2CC2)[n-]1 ZINC000656106060 1014002899 /nfs/dbraw/zinc/00/28/99/1014002899.db2.gz KPASVAUNSDAXHD-ARJAWSKDSA-N -1 3 313.304 3.705 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)C3CC3)nc(=O)c2c1C ZINC000748149537 1014036908 /nfs/dbraw/zinc/03/69/08/1014036908.db2.gz HNUHGBFBDZGGHW-RKDXNWHRSA-N -1 3 320.414 3.664 20 0 DHADHM COC(=O)c1cnc(Nc2cccc([O-])c2Cl)c(Cl)c1 ZINC001210851575 1014070569 /nfs/dbraw/zinc/07/05/69/1014070569.db2.gz DDNJZIKTDXALDP-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cccc(Nc2ccc(OC3COC3)c(F)c2)c1Cl ZINC001210854498 1014071565 /nfs/dbraw/zinc/07/15/65/1014071565.db2.gz AGKKQDTYVVPASH-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM Cc1cnn(Cc2ccccn2)c1Nc1cccc([O-])c1Cl ZINC001210854919 1014072641 /nfs/dbraw/zinc/07/26/41/1014072641.db2.gz FKWGXWBQBBSSTL-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM O=C1CCOc2c(Nc3cccc([O-])c3Cl)ccc(F)c21 ZINC001210859722 1014074258 /nfs/dbraw/zinc/07/42/58/1014074258.db2.gz LQDWUJYVWPVCJL-UHFFFAOYSA-N -1 3 307.708 3.894 20 0 DHADHM CN1Cc2cc(Nc3cccc([O-])c3Cl)ccc2NC1=O ZINC001210859744 1014074674 /nfs/dbraw/zinc/07/46/74/1014074674.db2.gz MKVGXECRZFKFMW-UHFFFAOYSA-N -1 3 303.749 3.767 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C(C)(C)C ZINC000580486356 1014168831 /nfs/dbraw/zinc/16/88/31/1014168831.db2.gz AZVRJTKKSIWRPD-QMMMGPOBSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000517575611 974319011 /nfs/dbraw/zinc/31/90/11/974319011.db2.gz JELHDAQORQAJRO-LJQANCHMSA-N -1 3 324.424 3.525 20 0 DHADHM O=C([O-])c1csc(CN2CCCC3(CCCCC3)CC2)n1 ZINC000565105908 974571955 /nfs/dbraw/zinc/57/19/55/974571955.db2.gz NVSMBDSFKMIZNT-UHFFFAOYSA-N -1 3 308.447 3.778 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccccc1C(=O)[O-])CCC2 ZINC000568281293 974664033 /nfs/dbraw/zinc/66/40/33/974664033.db2.gz GABSMGLDOPMNRA-OAHLLOKOSA-N -1 3 316.426 3.659 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)o1 ZINC000579967378 974886431 /nfs/dbraw/zinc/88/64/31/974886431.db2.gz GPBBJDQIZUXTSY-UHFFFAOYSA-N -1 3 324.380 3.839 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1c(Br)cccc1C(=O)[O-] ZINC000652440694 975533885 /nfs/dbraw/zinc/53/38/85/975533885.db2.gz TWKYNHKSCNHREV-NXEZZACHSA-N -1 3 312.207 3.520 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000126692159 1014382622 /nfs/dbraw/zinc/38/26/22/1014382622.db2.gz NUJHGPRWCAGKFS-UHFFFAOYSA-N -1 3 311.366 3.711 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC001592327794 977742509 /nfs/dbraw/zinc/74/25/09/977742509.db2.gz FAMQMDOGSGVMAR-KRWDZBQOSA-N -1 3 321.779 3.959 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC001592327698 977742705 /nfs/dbraw/zinc/74/27/05/977742705.db2.gz CYEWVOWGOIGOBV-KRWDZBQOSA-N -1 3 323.314 3.584 20 0 DHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1coc(-c2cccs2)n1 ZINC001592445903 978119293 /nfs/dbraw/zinc/11/92/93/978119293.db2.gz RBXRWOOBQMPIKS-NSHDSACASA-N -1 3 322.430 3.772 20 0 DHADHM COC(=O)c1cc(Nc2cc(F)c([O-])cc2F)c(Cl)s1 ZINC001215570970 1014481014 /nfs/dbraw/zinc/48/10/14/1014481014.db2.gz SFOQAJSGAGYCES-UHFFFAOYSA-N -1 3 319.716 3.916 20 0 DHADHM C[C@H](CN(Cc1ccc(Cl)o1)Cc1ccccc1)C(=O)[O-] ZINC001592604587 978544172 /nfs/dbraw/zinc/54/41/72/978544172.db2.gz HTTDRQWLRYWTGW-GFCCVEGCSA-N -1 3 307.777 3.656 20 0 DHADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000427946457 1014556175 /nfs/dbraw/zinc/55/61/75/1014556175.db2.gz ORXBRWFHHYRZNQ-JTQLQIEISA-N -1 3 307.752 3.605 20 0 DHADHM CCC(CC)(NCc1cc(-c2ccccc2Cl)on1)C(=O)[O-] ZINC001595100709 979403513 /nfs/dbraw/zinc/40/35/13/979403513.db2.gz FHDLGJJYTXQISH-UHFFFAOYSA-N -1 3 322.792 3.728 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000128512228 1014636119 /nfs/dbraw/zinc/63/61/19/1014636119.db2.gz FGIBFNMLWTYIBJ-MNOVXSKESA-N -1 3 305.736 3.927 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000901416371 980261879 /nfs/dbraw/zinc/26/18/79/980261879.db2.gz GGDXBBDPPVIENM-JTQLQIEISA-N -1 3 301.308 3.636 20 0 DHADHM O=C([O-])/C=C\c1ccc(CN2CCSC3(CCCCC3)C2)o1 ZINC000901436121 980283328 /nfs/dbraw/zinc/28/33/28/980283328.db2.gz MXZVKNYCZCEMEQ-SREVYHEPSA-N -1 3 321.442 3.629 20 0 DHADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC001595276847 980302958 /nfs/dbraw/zinc/30/29/58/980302958.db2.gz MNPMECVPYOHKSV-HUUCEWRRSA-N -1 3 304.777 3.602 20 0 DHADHM C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908336 980621325 /nfs/dbraw/zinc/62/13/25/980621325.db2.gz SYXOCPMQELQZAZ-YUMQZZPRSA-N -1 3 310.341 3.613 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1csc(-c2cccs2)n1)C1CC1 ZINC000901949197 980645316 /nfs/dbraw/zinc/64/53/16/980645316.db2.gz CEXGXPIZOCCEKG-OAHLLOKOSA-N -1 3 322.455 3.605 20 0 DHADHM O=C([O-])CC1CCC(N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000902083701 980725037 /nfs/dbraw/zinc/72/50/37/980725037.db2.gz ZRWLPHZRXREBRT-KJXMEXGPSA-N -1 3 313.397 3.992 20 0 DHADHM O=C([O-])c1csc(CN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000902131482 980750039 /nfs/dbraw/zinc/75/00/39/980750039.db2.gz PPTKHIVXYRUGCK-CYBMUJFWSA-N -1 3 323.414 3.912 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)Cc1cccc(C(=O)[O-])c1 ZINC001595364353 980793003 /nfs/dbraw/zinc/79/30/03/980793003.db2.gz UJDDOWZWLCKEQM-KRWDZBQOSA-N -1 3 313.397 3.977 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(CCc3ccccc3)CC2)n1 ZINC000902563944 980934162 /nfs/dbraw/zinc/93/41/62/980934162.db2.gz SFCKNBUZOLSLFC-UHFFFAOYSA-N -1 3 324.424 3.625 20 0 DHADHM O=C([O-])c1ccc2c(c1)OCCN(CCC1CCCCCC1)C2 ZINC000903958819 981075430 /nfs/dbraw/zinc/07/54/30/981075430.db2.gz OIQAUXYSVCJNQQ-UHFFFAOYSA-N -1 3 317.429 3.940 20 0 DHADHM CC(C)(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000521462161 1014709652 /nfs/dbraw/zinc/70/96/52/1014709652.db2.gz DCWCQFVQNOEUPR-QGZVFWFLSA-N -1 3 312.413 3.685 20 0 DHADHM CCC[C@](C)(NCc1cc(-c2ccccc2Cl)on1)C(=O)[O-] ZINC001595559098 981439652 /nfs/dbraw/zinc/43/96/52/981439652.db2.gz CXPYVFCKKZQXRA-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c([O-])c1 ZINC000276166547 1014772341 /nfs/dbraw/zinc/77/23/41/1014772341.db2.gz KRACEUCSQNOBNO-SFHVURJKSA-N -1 3 317.429 3.547 20 0 DHADHM CCc1cccc2cc(CNCc3ccccc3CC(=O)[O-])oc21 ZINC000656564427 1014868373 /nfs/dbraw/zinc/86/83/73/1014868373.db2.gz MYVUMWNWNPDWRX-UHFFFAOYSA-N -1 3 323.392 3.912 20 0 DHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@H](C)CC(C)(C)C)c1 ZINC000443384329 1014898080 /nfs/dbraw/zinc/89/80/80/1014898080.db2.gz NSNUWGAPWUOKBJ-LBPRGKRZSA-N -1 3 320.433 3.543 20 0 DHADHM CSc1ccc(Cl)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001215914513 1015029180 /nfs/dbraw/zinc/02/91/80/1015029180.db2.gz KWUUIKQTBJBRDZ-UHFFFAOYSA-N -1 3 308.790 3.610 20 0 DHADHM COc1cccc(CN2CCCC[C@@H]2CCC(=O)[O-])c1Cl ZINC000656755965 1015128945 /nfs/dbraw/zinc/12/89/45/1015128945.db2.gz FMPJMBCXZSAFMV-CYBMUJFWSA-N -1 3 311.809 3.568 20 0 DHADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC[C@@H](CCF)C1 ZINC000656764294 1015134225 /nfs/dbraw/zinc/13/42/25/1015134225.db2.gz XBVUMQYOSNBSBS-HZMBPMFUSA-N -1 3 317.763 3.676 20 0 DHADHM CCOc1cc(CN(C)Cc2ccns2)cc(Cl)c1[O-] ZINC000895451620 1015159492 /nfs/dbraw/zinc/15/94/92/1015159492.db2.gz ANVZPJNOKOJFMA-UHFFFAOYSA-N -1 3 312.822 3.533 20 0 DHADHM CCC(C)(C)c1nnc([N-][C@@H]2c3ccccc3OC[C@H]2F)o1 ZINC000895555666 1015202417 /nfs/dbraw/zinc/20/24/17/1015202417.db2.gz QDMNNUKWASZSEX-DGCLKSJQSA-N -1 3 305.353 3.641 20 0 DHADHM CCOc1ccc(CN(Cc2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC001597101960 986723572 /nfs/dbraw/zinc/72/35/72/986723572.db2.gz KQHFCLKHTIRHET-UHFFFAOYSA-N -1 3 317.385 3.787 20 0 DHADHM C[C@@H](CN(C)Cc1cccc(C(=O)[O-])c1Cl)c1nccs1 ZINC000581731765 1015276616 /nfs/dbraw/zinc/27/66/16/1015276616.db2.gz OLDGGKYGBFMXEN-JTQLQIEISA-N -1 3 324.833 3.730 20 0 DHADHM O=C(Nc1cccc(SC(F)F)c1)c1c([O-])cccc1O ZINC000092120865 1015282791 /nfs/dbraw/zinc/28/27/91/1015282791.db2.gz XZWZIHKNUPNXHB-UHFFFAOYSA-N -1 3 311.309 3.665 20 0 DHADHM CCSc1cccc(CN(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001597273704 987330945 /nfs/dbraw/zinc/33/09/45/987330945.db2.gz YZBCJKBWBVWOHF-UHFFFAOYSA-N -1 3 321.364 3.638 20 0 DHADHM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001597291400 987376960 /nfs/dbraw/zinc/37/69/60/987376960.db2.gz GSFVAAUWTRQKIE-CVEARBPZSA-N -1 3 305.324 3.831 20 0 DHADHM CC[C@@H](NCCOc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001597291814 987382321 /nfs/dbraw/zinc/38/23/21/987382321.db2.gz ZPBFIOKHVVGHFP-QGZVFWFLSA-N -1 3 317.360 3.644 20 0 DHADHM CSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599795708 988093971 /nfs/dbraw/zinc/09/39/71/988093971.db2.gz TWAJLESWJOIDDL-SNVBAGLBSA-N -1 3 301.839 3.612 20 0 DHADHM CSc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001599820920 988511997 /nfs/dbraw/zinc/51/19/97/988511997.db2.gz HUKGIXSZWFFWKB-NSHDSACASA-N -1 3 304.415 3.594 20 0 DHADHM CSc1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC001599823785 988561147 /nfs/dbraw/zinc/56/11/47/988561147.db2.gz DRADYMFPBMCGFY-UHFFFAOYSA-N -1 3 301.411 3.739 20 0 DHADHM CSc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC001599826165 988601815 /nfs/dbraw/zinc/60/18/15/988601815.db2.gz FPHXKCWYRDISKH-GFCCVEGCSA-N -1 3 301.411 3.958 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001597637109 988621523 /nfs/dbraw/zinc/62/15/23/988621523.db2.gz WJAIIOOWIUPALF-QWRGUYRKSA-N -1 3 304.415 3.816 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(O)c1 ZINC001599841046 988830090 /nfs/dbraw/zinc/83/00/90/988830090.db2.gz HQXBPPWXWKNFNG-MEBBXXQBSA-N -1 3 305.761 3.522 20 0 DHADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1cc2ccccc2o1 ZINC001599841704 988850026 /nfs/dbraw/zinc/85/00/26/988850026.db2.gz FYTWKNQRXMHEPS-CYBMUJFWSA-N -1 3 309.365 3.911 20 0 DHADHM CC[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000341506910 1015428354 /nfs/dbraw/zinc/42/83/54/1015428354.db2.gz HUBODZGCWGSTDP-NSHDSACASA-N -1 3 318.804 3.586 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccccc1Cl ZINC000034777360 1015488302 /nfs/dbraw/zinc/48/83/02/1015488302.db2.gz OPIAADOAJPSVMW-HNNXBMFYSA-N -1 3 317.772 3.729 20 0 DHADHM COc1cccc([C@H](NCc2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC001599688200 991023142 /nfs/dbraw/zinc/02/31/42/991023142.db2.gz RPVCLMGBSKLJNX-SFHVURJKSA-N -1 3 313.397 3.734 20 0 DHADHM COc1ccccc1[C@@H](CC(C)C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001599698622 991186009 /nfs/dbraw/zinc/18/60/09/991186009.db2.gz PFQGENIECHSPEE-OAHLLOKOSA-N -1 3 316.401 3.599 20 0 DHADHM COCc1ncsc1C(=O)[N-]c1c(C)cccc1SC ZINC000341671808 1015654756 /nfs/dbraw/zinc/65/47/56/1015654756.db2.gz DWBIYUIXFPXMNZ-UHFFFAOYSA-N -1 3 308.428 3.572 20 0 DHADHM CCc1ccc(-c2nc([C@H](C)OCC(F)(F)F)no2)c([O-])c1 ZINC000896612049 1015673743 /nfs/dbraw/zinc/67/37/43/1015673743.db2.gz WDEGPAZIFOBHDI-QMMMGPOBSA-N -1 3 316.279 3.645 20 0 DHADHM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598537464 992856948 /nfs/dbraw/zinc/85/69/48/992856948.db2.gz ZWAWCFUDVLKQLN-ZFWWWQNUSA-N -1 3 316.426 3.609 20 0 DHADHM COc1ccc([C@@H](C)NCc2ccsc2C(=O)[O-])cc1C ZINC001599620301 994071083 /nfs/dbraw/zinc/07/10/83/994071083.db2.gz MIBAZLWPGRHXNZ-LLVKDONJSA-N -1 3 305.399 3.614 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC001599621085 994083376 /nfs/dbraw/zinc/08/33/76/994083376.db2.gz YLDKFSAEUGLNDR-IAQYHMDHSA-N -1 3 305.399 3.542 20 0 DHADHM C[C@@H](N[C@H]1CCCc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593217818 994276707 /nfs/dbraw/zinc/27/67/07/994276707.db2.gz CEEOKPIUBALYRH-DIFFPNOSSA-N -1 3 314.360 3.647 20 0 DHADHM C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cc(C(=O)[O-])co1 ZINC001593219514 994300883 /nfs/dbraw/zinc/30/08/83/994300883.db2.gz LXJQIDXIKHXOAY-GLQYFDAESA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](NC[C@@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593258221 994539285 /nfs/dbraw/zinc/53/92/85/994539285.db2.gz XUVXXONFLQLEGK-AAEUAGOBSA-N -1 3 316.426 3.612 20 0 DHADHM C[C@H](NCCCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265639 994573738 /nfs/dbraw/zinc/57/37/38/994573738.db2.gz VHMVHFQRNFTSLU-LBPRGKRZSA-N -1 3 304.415 3.515 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccsc1 ZINC001593296512 994696957 /nfs/dbraw/zinc/69/69/57/994696957.db2.gz NARMIUMMGSQCOV-LLVKDONJSA-N -1 3 312.394 3.845 20 0 DHADHM C[C@@](NCc1cccc(C(F)F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593304521 994748027 /nfs/dbraw/zinc/74/80/27/994748027.db2.gz NHOONYVLPWVKDE-KRWDZBQOSA-N -1 3 323.314 3.853 20 0 DHADHM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593310831 994775104 /nfs/dbraw/zinc/77/51/04/994775104.db2.gz LPQLDABRXLLQNV-CYBMUJFWSA-N -1 3 306.365 3.784 20 0 DHADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCC2(CCCC2)CC1 ZINC001593738296 996345463 /nfs/dbraw/zinc/34/54/63/996345463.db2.gz YXGQEOLTJHPTPY-LBPRGKRZSA-N -1 3 308.447 3.949 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CNC(C)(C)c1cccc(C)c1 ZINC001599501014 997119938 /nfs/dbraw/zinc/11/99/38/997119938.db2.gz OJBXDOBXPKBOGO-UHFFFAOYSA-N -1 3 313.397 3.727 20 0 DHADHM COc1ccc([C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC001599530636 997645842 /nfs/dbraw/zinc/64/58/42/997645842.db2.gz DSRKBHJSACYGHV-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1C ZINC001599535968 997744144 /nfs/dbraw/zinc/74/41/44/997744144.db2.gz KQMIPRLGGUQAGO-KSSFIOAISA-N -1 3 313.397 3.789 20 0 DHADHM C[C@]1(NCc2c(Cl)cncc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594060623 997837040 /nfs/dbraw/zinc/83/70/40/997837040.db2.gz SAQDZACYRZJQKR-HZMBPMFUSA-N -1 3 317.216 3.512 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC001594216144 998830618 /nfs/dbraw/zinc/83/06/18/998830618.db2.gz UOFODFXTMSCBGZ-PSASIEDQSA-N -1 3 307.337 3.609 20 0 DHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599063918 999285682 /nfs/dbraw/zinc/28/56/82/999285682.db2.gz OLTJGINKUPEFMI-MMPTUQATSA-N -1 3 321.348 3.544 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c([O-])c1 ZINC000622412389 1016397241 /nfs/dbraw/zinc/39/72/41/1016397241.db2.gz ICJMDBIOCZOJCG-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM CSc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000281251635 1016414917 /nfs/dbraw/zinc/41/49/17/1016414917.db2.gz DQJAZENTQZGXBD-VXGBXAGGSA-N -1 3 303.431 3.624 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCS[C@H]2CCCC[C@@H]21 ZINC000342443298 1016472562 /nfs/dbraw/zinc/47/25/62/1016472562.db2.gz VDZQEOVFDNAHQT-KBPBESRZSA-N -1 3 311.834 3.546 20 0 DHADHM CC(C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(F)F ZINC000622570901 1016474429 /nfs/dbraw/zinc/47/44/29/1016474429.db2.gz XKTRUCSBCPXVFM-UHFFFAOYSA-N -1 3 319.351 3.757 20 0 DHADHM Cc1ncc(CN[C@H](C)c2ccc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000346799115 1016552309 /nfs/dbraw/zinc/55/23/09/1016552309.db2.gz QFNVQLSCFLUVMI-GFCCVEGCSA-N -1 3 309.369 3.601 20 0 DHADHM CCN(C)[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000172109303 1016642778 /nfs/dbraw/zinc/64/27/78/1016642778.db2.gz JECDFSDEZCGIDH-HNNXBMFYSA-N -1 3 318.804 3.677 20 0 DHADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc([O-])c(F)c1 ZINC000892258299 1016657692 /nfs/dbraw/zinc/65/76/92/1016657692.db2.gz SVEWSYGNBRVJIZ-UHFFFAOYSA-N -1 3 314.360 3.800 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccccc1)C1CC1 ZINC000340637162 1016828686 /nfs/dbraw/zinc/82/86/86/1016828686.db2.gz CXQPWPINGOPSPN-UHFFFAOYSA-N -1 3 301.773 3.850 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ccco2)s1 ZINC000174872941 1016841253 /nfs/dbraw/zinc/84/12/53/1016841253.db2.gz JCZCRBDUXJMANK-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ccsc2)s1 ZINC000174893012 1016844254 /nfs/dbraw/zinc/84/42/54/1016844254.db2.gz BLPDNXZTVZJBAV-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM CC[C@](C)(NC(=O)c1cc([O-])ccc1Cl)c1nc(C)cs1 ZINC000277707318 1016962043 /nfs/dbraw/zinc/96/20/43/1016962043.db2.gz OQDRXXFZWABSMD-HNNXBMFYSA-N -1 3 324.833 3.866 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000176433821 1016965492 /nfs/dbraw/zinc/96/54/92/1016965492.db2.gz HKPDGCQFNWGHNP-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1CCCC[C@H]1F ZINC001227586952 1017045936 /nfs/dbraw/zinc/04/59/36/1017045936.db2.gz DEXMXDWURXXYQZ-LDYMZIIASA-N -1 3 307.134 3.953 20 0 DHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)C(F)F ZINC000847059868 1032194780 /nfs/dbraw/zinc/19/47/80/1032194780.db2.gz HPPMVGSQBVBIFX-LLVKDONJSA-N -1 3 321.314 3.726 20 0 DHADHM CC(C)c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)cc1 ZINC001146543308 1032228689 /nfs/dbraw/zinc/22/86/89/1032228689.db2.gz VIBXGWHLUONGBI-UHFFFAOYSA-N -1 3 301.361 3.992 20 0 DHADHM C[C@@H](CCC1CCCCC1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001146540126 1032229573 /nfs/dbraw/zinc/22/95/73/1032229573.db2.gz UXZHNZUPRAPDSI-NSHDSACASA-N -1 3 318.396 3.576 20 0 DHADHM CCc1cccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1[O-] ZINC001147709159 1032335203 /nfs/dbraw/zinc/33/52/03/1032335203.db2.gz FLURCQGEMBNJSC-GFCCVEGCSA-N -1 3 313.372 3.853 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C(C)(C)C)nc1 ZINC001147806426 1032340781 /nfs/dbraw/zinc/34/07/81/1032340781.db2.gz URBSTTIKZUVRAO-UHFFFAOYSA-N -1 3 312.369 3.540 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(F)c(F)c(C)c1F ZINC001148729606 1032435339 /nfs/dbraw/zinc/43/53/39/1032435339.db2.gz AQHTXKNBNRRVBP-UHFFFAOYSA-N -1 3 323.270 3.573 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C(C)(C)C)CC2)ccc1[O-] ZINC001148670152 1032431398 /nfs/dbraw/zinc/43/13/98/1032431398.db2.gz FUVOXISFNIYFFD-GASCZTMLSA-N -1 3 317.429 3.930 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc(O)c(C)cc2Cl)ccc1[O-] ZINC001148664906 1032432341 /nfs/dbraw/zinc/43/23/41/1032432341.db2.gz UNVVKDKCLXENLO-UHFFFAOYSA-N -1 3 319.744 3.515 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc3ccccc3cc2O)ccc1[O-] ZINC001148663372 1032432366 /nfs/dbraw/zinc/43/23/66/1032432366.db2.gz ZNOJJCIIAKVYFQ-UHFFFAOYSA-N -1 3 321.332 3.706 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)c([O-])c1 ZINC001148811711 1032445320 /nfs/dbraw/zinc/44/53/20/1032445320.db2.gz MQZPRQITDRGJIA-CQSZACIVSA-N -1 3 317.429 3.689 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c1[O-] ZINC000089877652 1011904054 /nfs/dbraw/zinc/90/40/54/1011904054.db2.gz XVENJEHHRABUCO-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000049457942 1011916211 /nfs/dbraw/zinc/91/62/11/1011916211.db2.gz SFFJFUOTURMXSJ-LLVKDONJSA-N -1 3 309.350 3.597 20 0 DHADHM COc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000063556593 1012028281 /nfs/dbraw/zinc/02/82/81/1012028281.db2.gz PSLQPRXBHMEECN-YBFXNURJSA-N -1 3 319.788 3.724 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC001171407030 1032597249 /nfs/dbraw/zinc/59/72/49/1032597249.db2.gz JECFDZPMELULGE-MRXNPFEDSA-N -1 3 311.429 3.718 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC001625781933 1012100925 /nfs/dbraw/zinc/10/09/25/1012100925.db2.gz VNQJODXHBJSRRW-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM CCc1cccc(C(=O)N(CC)[C@H](CC)c2ccncc2)c1[O-] ZINC000537656409 1032612449 /nfs/dbraw/zinc/61/24/49/1032612449.db2.gz GXXFYNCXYOQZGS-QGZVFWFLSA-N -1 3 312.413 3.963 20 0 DHADHM O=C([O-])C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000035300193 1012253445 /nfs/dbraw/zinc/25/34/45/1012253445.db2.gz WNTKRLUKGRXGRJ-UHFFFAOYSA-N -1 3 309.818 3.851 20 0 DHADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)c1ccccc1 ZINC000011809245 1032617888 /nfs/dbraw/zinc/61/78/88/1032617888.db2.gz BIBWLIHSRQPZAI-QMMMGPOBSA-N -1 3 312.152 3.750 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000537656244 1032612756 /nfs/dbraw/zinc/61/27/56/1032612756.db2.gz CIVUSPNAUSGNSB-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)ccc3C3CC3)n[n-]2)o1 ZINC000425201272 1012354460 /nfs/dbraw/zinc/35/44/60/1012354460.db2.gz NEQDVURISPHCCQ-UHFFFAOYSA-N -1 3 322.368 3.811 20 0 DHADHM O=[S@](Cc1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000108086761 1012382326 /nfs/dbraw/zinc/38/23/26/1012382326.db2.gz ALWBRTQDVRGGKI-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM COc1ccc([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)cc1 ZINC000579842148 1012524747 /nfs/dbraw/zinc/52/47/47/1012524747.db2.gz AEVINIRFTPTVTM-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC(C)(C)C3)n[n-]2)o1 ZINC000339691882 1012776295 /nfs/dbraw/zinc/77/62/95/1012776295.db2.gz ORSGXEFNOVFFGO-NSHDSACASA-N -1 3 302.378 3.528 20 0 DHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ncccc1[O-] ZINC000516684208 1012816925 /nfs/dbraw/zinc/81/69/25/1012816925.db2.gz AFAXIEIUBBUYSB-GFCCVEGCSA-N -1 3 305.447 3.869 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000232747641 1012941671 /nfs/dbraw/zinc/94/16/71/1012941671.db2.gz RHGGIBSYMQVXEY-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2ccccc2Cl)o1 ZINC000475348102 1017158206 /nfs/dbraw/zinc/15/82/06/1017158206.db2.gz BLVMOXCZTJRJRX-UHFFFAOYSA-N -1 3 314.772 3.990 20 0 DHADHM [O-]c1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1F ZINC000892279489 1017159428 /nfs/dbraw/zinc/15/94/28/1017159428.db2.gz CHLGYQOTOFWGJY-MRXNPFEDSA-N -1 3 317.360 3.701 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000180332084 1017422115 /nfs/dbraw/zinc/42/21/15/1017422115.db2.gz SAOHDGMXEGGFAA-AWEZNQCLSA-N -1 3 301.411 3.993 20 0 DHADHM COc1cc(-c2ccccc2)sc1C(=O)[N-]c1cnoc1 ZINC000623940161 1017597568 /nfs/dbraw/zinc/59/75/68/1017597568.db2.gz TZSHZAKTEFILEC-UHFFFAOYSA-N -1 3 300.339 3.664 20 0 DHADHM [O-]c1c(F)cc(Nc2ccnn2-c2ccc(F)cc2)cc1F ZINC001213374987 1017737369 /nfs/dbraw/zinc/73/73/69/1017737369.db2.gz JNGLOBLYMUZHFG-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(F)cc2F)C(C)C)n1 ZINC000181637711 1017778833 /nfs/dbraw/zinc/77/88/33/1017778833.db2.gz DSIXXUFSZUYDLY-KRWDZBQOSA-N -1 3 321.371 3.510 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C1CCCC1 ZINC000674080231 1017816236 /nfs/dbraw/zinc/81/62/36/1017816236.db2.gz IICLZJSKFDUABH-SECBINFHSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1oc(C)c(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000674170506 1017880042 /nfs/dbraw/zinc/88/00/42/1017880042.db2.gz OOOGQQCJRJEYOQ-UHFFFAOYSA-N -1 3 324.174 3.925 20 0 DHADHM Cc1nocc1[N-]C(=O)c1oc2ccccc2c1COC(C)C ZINC000892323726 1017988872 /nfs/dbraw/zinc/98/88/72/1017988872.db2.gz BORLMGGTLHDCSA-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C(F)(F)F ZINC000183337420 1018014312 /nfs/dbraw/zinc/01/43/12/1018014312.db2.gz NSIRMISFCJVZMT-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1nc(C(=O)Nc2cccc([O-])c2F)c(-c2ccccc2)o1 ZINC000184244491 1018071135 /nfs/dbraw/zinc/07/11/35/1018071135.db2.gz RUPKJFBZVJIXBD-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM COc1cc(SC)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000193263820 1018261180 /nfs/dbraw/zinc/26/11/80/1018261180.db2.gz WWGOCUJSTJNLLU-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM C[C@@]1(F)CCN(Cc2c(Cl)cc([O-])cc2Cl)C[C@@H]1F ZINC001142105628 1018312744 /nfs/dbraw/zinc/31/27/44/1018312744.db2.gz HZQPDISGPVZRCL-QWHCGFSZSA-N -1 3 310.171 3.971 20 0 DHADHM Cn1ncc2ccc(-c3nc4cc(Cl)ccc4c(=O)[n-]3)cc21 ZINC000446992435 1018314996 /nfs/dbraw/zinc/31/49/96/1018314996.db2.gz VSCBPVWMHSXBCX-UHFFFAOYSA-N -1 3 310.744 3.543 20 0 DHADHM CC(C)c1ccc(/C=C\CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000764944007 1018437943 /nfs/dbraw/zinc/43/79/43/1018437943.db2.gz IUJFTLQAKRJWTL-OOFWQKGWSA-N -1 3 303.402 3.788 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000447717383 1018462589 /nfs/dbraw/zinc/46/25/89/1018462589.db2.gz UZPWTQJZQHEUMQ-ZDUSSCGKSA-N -1 3 311.381 3.888 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cccc4c(Cl)ccnc34)no2)nc1 ZINC001212557980 1018462969 /nfs/dbraw/zinc/46/29/69/1018462969.db2.gz LJQHXHIDVXMHCI-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000527179975 1018525238 /nfs/dbraw/zinc/52/52/38/1018525238.db2.gz FCXQFLAYLKSPAN-HUUCEWRRSA-N -1 3 309.409 3.800 20 0 DHADHM CCCOc1cc(F)ccc1NC(=O)c1cccc(OC)c1[O-] ZINC000151046931 1018556617 /nfs/dbraw/zinc/55/66/17/1018556617.db2.gz STORORAYUFNPCG-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N(C1CC1)C1CCCCC1 ZINC000675994553 1018642425 /nfs/dbraw/zinc/64/24/25/1018642425.db2.gz HZHICTWENKVNFS-UHFFFAOYSA-N -1 3 306.381 3.538 20 0 DHADHM O=C([N-]Cc1ccc(Cl)cc1)C(F)(F)c1ccccc1F ZINC000765499462 1018818700 /nfs/dbraw/zinc/81/87/00/1018818700.db2.gz FLNIZORPFRWRSQ-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000536187782 1018826377 /nfs/dbraw/zinc/82/63/77/1018826377.db2.gz DVLMPAHVVZUXGT-MRVPVSSYSA-N -1 3 320.805 3.576 20 0 DHADHM CC(C)c1nc(CNC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cs1 ZINC001116762627 1018833978 /nfs/dbraw/zinc/83/39/78/1018833978.db2.gz VHHKVFJIZFYLLH-WBMJQRKESA-N -1 3 310.463 3.637 20 0 DHADHM COCCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)c1ccccc1 ZINC000624818949 1018844160 /nfs/dbraw/zinc/84/41/60/1018844160.db2.gz DMXNGIVCGISGMN-HNNXBMFYSA-N -1 3 313.397 3.550 20 0 DHADHM CSc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000315943330 1018863299 /nfs/dbraw/zinc/86/32/99/1018863299.db2.gz HQMNKRNCQGTHIA-QGZVFWFLSA-N -1 3 313.422 3.593 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000350828288 1018864532 /nfs/dbraw/zinc/86/45/32/1018864532.db2.gz VDQLUQIBGSBTLZ-NSHDSACASA-N -1 3 312.394 3.535 20 0 DHADHM FC(F)c1nnc([N-][C@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000330350767 1018922711 /nfs/dbraw/zinc/92/27/11/1018922711.db2.gz LLPSPPIZJKZTKJ-QMMMGPOBSA-N -1 3 320.126 4.413 20 0 DHADHM COc1ccc(C(C)C)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000656190741 1018938486 /nfs/dbraw/zinc/93/84/86/1018938486.db2.gz OZLWRTUIATVPHY-INIZCTEOSA-N -1 3 317.429 3.505 20 0 DHADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000007405592 1019027406 /nfs/dbraw/zinc/02/74/06/1019027406.db2.gz OFUNCJOMMIQWDB-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2c(C)noc2C(C)C)s1 ZINC000026559897 1019126969 /nfs/dbraw/zinc/12/69/69/1019126969.db2.gz AWTIKDDUGRJPQU-UHFFFAOYSA-N -1 3 322.434 3.943 20 0 DHADHM CCc1ccc(C2CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000625971703 1019152833 /nfs/dbraw/zinc/15/28/33/1019152833.db2.gz UQNVHVONWQUHJE-UHFFFAOYSA-N -1 3 313.397 3.920 20 0 DHADHM CC(C)c1ncc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000356110692 1019168098 /nfs/dbraw/zinc/16/80/98/1019168098.db2.gz SQSKQKXRSLSABQ-UHFFFAOYSA-N -1 3 307.353 3.711 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1c(Cl)cccc1Cl)CC2 ZINC000711657683 1019173224 /nfs/dbraw/zinc/17/32/24/1019173224.db2.gz ZFLRXCFJEAYEOL-HIFRSBDPSA-N -1 3 314.212 3.823 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC000081779975 1019229321 /nfs/dbraw/zinc/22/93/21/1019229321.db2.gz VLDXYUUOZCQGLQ-CQSZACIVSA-N -1 3 313.372 3.723 20 0 DHADHM O=C(NCCCNc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000472098822 1019321071 /nfs/dbraw/zinc/32/10/71/1019321071.db2.gz XNNFGZGUCXIBBJ-UHFFFAOYSA-N -1 3 320.392 3.777 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(F)cc2OC(F)F)c1[O-] ZINC000172724062 1019379543 /nfs/dbraw/zinc/37/95/43/1019379543.db2.gz SKHHRRDDTUAUCG-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc([C@@H]2CCCO2)s1 ZINC000089867828 1019382583 /nfs/dbraw/zinc/38/25/83/1019382583.db2.gz LXNPJHAEDCSHKK-NSHDSACASA-N -1 3 324.789 3.606 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1ccc(F)cc1 ZINC001212481810 1019427433 /nfs/dbraw/zinc/42/74/33/1019427433.db2.gz KFZXKSLFGLKHSJ-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM COc1ccccc1-n1nccc1Nc1cc(F)cc(F)c1[O-] ZINC001212481910 1019430569 /nfs/dbraw/zinc/43/05/69/1019430569.db2.gz QLTPDIOQYFSVPR-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000091685445 1019478366 /nfs/dbraw/zinc/47/83/66/1019478366.db2.gz ZMNLMECXPGUVNM-HNNXBMFYSA-N -1 3 317.772 3.641 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)c1[O-] ZINC000093917060 1019591930 /nfs/dbraw/zinc/59/19/30/1019591930.db2.gz DFFZYYJDEPFUJN-CYBMUJFWSA-N -1 3 313.397 3.796 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000022265058 1019714691 /nfs/dbraw/zinc/71/46/91/1019714691.db2.gz QKLLGLJXERNIKB-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCc1cc2c(CSc3ccccn3)cc(=O)oc2cc1[O-] ZINC000011334742 1019779074 /nfs/dbraw/zinc/77/90/74/1019779074.db2.gz LTLPYKGZMCFBBD-UHFFFAOYSA-N -1 3 313.378 3.748 20 0 DHADHM COc1ccc2oc(C(=O)Nc3cc(F)ccc3[O-])c(C)c2c1 ZINC000530897254 1019781817 /nfs/dbraw/zinc/78/18/17/1019781817.db2.gz RJYVBRBXXOFNNR-UHFFFAOYSA-N -1 3 315.300 3.847 20 0 DHADHM COc1cccc(C2(c3noc(-c4ccccc4[O-])n3)CCC2)c1 ZINC000685397546 1019788244 /nfs/dbraw/zinc/78/82/44/1019788244.db2.gz UIPYUZXVVKABJQ-UHFFFAOYSA-N -1 3 322.364 3.921 20 0 DHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(C2CCCC2)c1 ZINC000667014330 1032855755 /nfs/dbraw/zinc/85/57/55/1032855755.db2.gz TYGSNQHVDCFTKM-UHFFFAOYSA-N -1 3 324.306 3.733 20 0 DHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(C2CCCC2)c1 ZINC000667014330 1032855765 /nfs/dbraw/zinc/85/57/65/1032855765.db2.gz TYGSNQHVDCFTKM-UHFFFAOYSA-N -1 3 324.306 3.733 20 0 DHADHM Cc1[nH]c2ccc(CNC(=O)c3ccc(C)cc3[O-])cc2c1C ZINC000065216976 1019899043 /nfs/dbraw/zinc/89/90/43/1019899043.db2.gz MSZPOVZQTHDJCY-UHFFFAOYSA-N -1 3 308.381 3.729 20 0 DHADHM [O-]c1ccc(CNCc2c(Cl)n[nH]c2C2CC2)cc1Cl ZINC000922327543 1020007795 /nfs/dbraw/zinc/00/77/95/1020007795.db2.gz JEJGCQSHTPRPNY-UHFFFAOYSA-N -1 3 312.200 3.589 20 0 DHADHM O=C(OCc1cnc2ccccc2c1)c1cc(-c2ccco2)[n-]n1 ZINC000730698714 1020013238 /nfs/dbraw/zinc/01/32/38/1020013238.db2.gz BRVSULCHEBYDOW-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM O=C(OCc1cnc2ccccc2c1)c1cc(-c2ccco2)n[n-]1 ZINC000730698714 1020013253 /nfs/dbraw/zinc/01/32/53/1020013253.db2.gz BRVSULCHEBYDOW-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2oc3ccccc3c2C)c1[O-] ZINC000673526810 1020022046 /nfs/dbraw/zinc/02/20/46/1020022046.db2.gz RETJTXBDLMAVOP-UHFFFAOYSA-N -1 3 309.321 3.902 20 0 DHADHM CC[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000030143235 1020073718 /nfs/dbraw/zinc/07/37/18/1020073718.db2.gz QYWPCXHURNXAMJ-GFCCVEGCSA-N -1 3 311.385 3.704 20 0 DHADHM CC[C@H](C)CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000671778579 1020158927 /nfs/dbraw/zinc/15/89/27/1020158927.db2.gz GOGNIQNTHJEJNT-JTQLQIEISA-N -1 3 314.223 3.597 20 0 DHADHM COc1cccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000671780651 1020160136 /nfs/dbraw/zinc/16/01/36/1020160136.db2.gz UDGQGUHYUVQRNZ-UHFFFAOYSA-N -1 3 317.772 3.725 20 0 DHADHM COc1cccc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CC2)c1 ZINC000671784925 1020168144 /nfs/dbraw/zinc/16/81/44/1020168144.db2.gz KSSDAQKKDXXHIM-UHFFFAOYSA-N -1 3 317.772 3.725 20 0 DHADHM O=C([N-]c1nc2c(s1)CCCCC2)c1ocnc1C(F)F ZINC000624475062 1020202367 /nfs/dbraw/zinc/20/23/67/1020202367.db2.gz QXCKGSNMCRBFIE-UHFFFAOYSA-N -1 3 313.329 3.590 20 0 DHADHM CC(C)CC(CC(C)C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000732287520 1020222582 /nfs/dbraw/zinc/22/25/82/1020222582.db2.gz WFKUNPXVGKOWJQ-UHFFFAOYSA-N -1 3 315.417 3.526 20 0 DHADHM CCn1c2ccccc2nc1CNCc1ccc([O-])c(Cl)c1 ZINC000733328351 1020376623 /nfs/dbraw/zinc/37/66/23/1020376623.db2.gz PJCUDZOYIJSMAJ-UHFFFAOYSA-N -1 3 315.804 3.705 20 0 DHADHM O=C([N-]c1ccon1)c1csc(-c2ccc(Cl)s2)n1 ZINC000179530654 1020401812 /nfs/dbraw/zinc/40/18/12/1020401812.db2.gz GDCPXHBUVKGNIU-UHFFFAOYSA-N -1 3 311.775 3.765 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC4(CC4)CC3)nc2)n1 ZINC000624718486 1020406509 /nfs/dbraw/zinc/40/65/09/1020406509.db2.gz AAAKMUBDYLLKAS-UHFFFAOYSA-N -1 3 324.428 3.577 20 0 DHADHM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000685745296 1020411211 /nfs/dbraw/zinc/41/12/11/1020411211.db2.gz XBZUKIZTTYJXPG-GFCCVEGCSA-N -1 3 315.800 3.581 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000625250012 1020432054 /nfs/dbraw/zinc/43/20/54/1020432054.db2.gz ZYOGQIWABLEUOI-GFCCVEGCSA-N -1 3 302.399 3.525 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000055687840 1020457256 /nfs/dbraw/zinc/45/72/56/1020457256.db2.gz OREGNYWTYFGNSN-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000685758233 1020459101 /nfs/dbraw/zinc/45/91/01/1020459101.db2.gz NFOOMAZPADDBAR-RDJZCZTQSA-N -1 3 301.773 3.506 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1F ZINC000318332988 1020475427 /nfs/dbraw/zinc/47/54/27/1020475427.db2.gz XPWRJQJXFKDRBS-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000625343919 1020481973 /nfs/dbraw/zinc/48/19/73/1020481973.db2.gz DEEYOVOMWAUBLP-CYBMUJFWSA-N -1 3 323.396 3.561 20 0 DHADHM CC(=O)c1ccc(C(=O)N(CC(C)C)CC(C)(C)C)cc1[O-] ZINC000612436573 1020557544 /nfs/dbraw/zinc/55/75/44/1020557544.db2.gz SSOAVYUIVSKCGM-UHFFFAOYSA-N -1 3 305.418 3.739 20 0 DHADHM C[C@H]1CCc2c(C(=O)NCc3ccc([O-])c(F)c3)csc2C1 ZINC000303847750 1020607218 /nfs/dbraw/zinc/60/72/18/1020607218.db2.gz UKHVJCCBGCIDFF-JTQLQIEISA-N -1 3 319.401 3.648 20 0 DHADHM CC1(C)C[C@@]1(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000612632597 1020652646 /nfs/dbraw/zinc/65/26/46/1020652646.db2.gz QACMCBZEIORZQC-IBGZPJMESA-N -1 3 313.372 3.515 20 0 DHADHM O=C(OC[C@H]1CCC2(CCCC2)O1)c1cc(Cl)c(Cl)[n-]1 ZINC000782627205 1020655329 /nfs/dbraw/zinc/65/53/29/1020655329.db2.gz IBPWYXKYVFWVPG-SECBINFHSA-N -1 3 318.200 3.970 20 0 DHADHM CCc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC001626247670 1020736820 /nfs/dbraw/zinc/73/68/20/1020736820.db2.gz WRKUEIVGAZAYAX-UHFFFAOYSA-N -1 3 302.399 3.542 20 0 DHADHM CCc1ccc(N(CC)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000735649794 1020759043 /nfs/dbraw/zinc/75/90/43/1020759043.db2.gz KWXBPRVOSWXCEM-UHFFFAOYSA-N -1 3 321.380 3.565 20 0 DHADHM Cc1cc(Cl)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1N ZINC001137704003 1020797109 /nfs/dbraw/zinc/79/71/09/1020797109.db2.gz PMUKDRHXUWNENT-UHFFFAOYSA-N -1 3 311.168 3.842 20 0 DHADHM CC1(C)CC[C@H](COC(=O)c2cccc3[n-]c(C(F)F)nc32)O1 ZINC000924079947 1020836013 /nfs/dbraw/zinc/83/60/13/1020836013.db2.gz ALQKJNGAWXBXMZ-SECBINFHSA-N -1 3 324.327 3.615 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000888015420 1033458637 /nfs/dbraw/zinc/45/86/37/1033458637.db2.gz LHIVWHASLYNTDC-NSHDSACASA-N -1 3 301.308 3.540 20 0 DHADHM CC(C)CCC[S@@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414247621 1021028627 /nfs/dbraw/zinc/02/86/27/1021028627.db2.gz OKXSERIZKBARDF-JOCHJYFZSA-N -1 3 318.442 3.534 20 0 DHADHM CC(C)Oc1cccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000176001592 1021095696 /nfs/dbraw/zinc/09/56/96/1021095696.db2.gz HBAVRKMDACLWOQ-VIFPVBQESA-N -1 3 307.287 3.551 20 0 DHADHM Cc1nn(-c2ccccc2)c(Cl)c1C=Cc1nccc(=O)[n-]1 ZINC000742220163 1021098166 /nfs/dbraw/zinc/09/81/66/1021098166.db2.gz JSLKNGOVRIGBJD-BQYQJAHWSA-N -1 3 312.760 3.500 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)c1[O-] ZINC000176097310 1021100112 /nfs/dbraw/zinc/10/01/12/1021100112.db2.gz AMHDIHGWQHYHKF-INIZCTEOSA-N -1 3 310.397 3.798 20 0 DHADHM Cc1c(Cl)cccc1NC(=S)NCc1ccc([O-])c(F)c1 ZINC000737462201 1021112191 /nfs/dbraw/zinc/11/21/91/1021112191.db2.gz XWMVLGWUTADUQN-UHFFFAOYSA-N -1 3 324.808 3.980 20 0 DHADHM C[C@@H](CCCc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000162688439 1021135687 /nfs/dbraw/zinc/13/56/87/1021135687.db2.gz ZOMFYQMGRUVIHC-LBPRGKRZSA-N -1 3 303.324 3.646 20 0 DHADHM CCOc1ccc(SCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128260768 1021205183 /nfs/dbraw/zinc/20/51/83/1021205183.db2.gz BYVJHVKEKQBDPO-UHFFFAOYSA-N -1 3 321.373 3.661 20 0 DHADHM O=C(CSc1ccc2c(c1)CCC2)Nc1cccc([O-])c1F ZINC000128293314 1021213510 /nfs/dbraw/zinc/21/35/10/1021213510.db2.gz VUNKWKLMYILXFR-UHFFFAOYSA-N -1 3 317.385 3.751 20 0 DHADHM CC(C)(C)c1cnc(NC(=O)[N-]OCc2ccccc2)s1 ZINC000743219572 1021240576 /nfs/dbraw/zinc/24/05/76/1021240576.db2.gz MJOXGADQDAZAJY-UHFFFAOYSA-N -1 3 305.403 3.694 20 0 DHADHM Cc1ccc(NC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001202425447 1021245880 /nfs/dbraw/zinc/24/58/80/1021245880.db2.gz UXHOWRYGFOQBDS-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000743296932 1021254686 /nfs/dbraw/zinc/25/46/86/1021254686.db2.gz RKWKOZADKVQAEU-AZUAARDMSA-N -1 3 307.393 3.529 20 0 DHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091010502 1021259606 /nfs/dbraw/zinc/25/96/06/1021259606.db2.gz WZQCLALTZHLPLV-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM COCCOc1ccccc1Nc1nc2c(cccc2[O-])s1 ZINC001212635120 1032964256 /nfs/dbraw/zinc/96/42/56/1032964256.db2.gz XQRUMTXTHCVEKH-UHFFFAOYSA-N -1 3 316.382 3.771 20 0 DHADHM O=C(CCOc1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000128786430 1021349313 /nfs/dbraw/zinc/34/93/13/1021349313.db2.gz RVSHFMVBDZXKDN-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM O=C(CSc1ccc(F)c(F)c1)Nc1cccc([O-])c1F ZINC000129023658 1021407005 /nfs/dbraw/zinc/40/70/05/1021407005.db2.gz JCCXTKQNSJKBGS-UHFFFAOYSA-N -1 3 313.300 3.540 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)c2cccnc12 ZINC000129286593 1021459797 /nfs/dbraw/zinc/45/97/97/1021459797.db2.gz UWPJGWSKIDSMKW-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1csc(-c2cccs2)n1 ZINC000129461483 1021490864 /nfs/dbraw/zinc/49/08/64/1021490864.db2.gz VAVBTHYDMJALEW-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129511234 1021499160 /nfs/dbraw/zinc/49/91/60/1021499160.db2.gz LJPNNLHPXBLWKX-DTWKUNHWSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1ccnc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647611 1021508113 /nfs/dbraw/zinc/50/81/13/1021508113.db2.gz YTKDHSBETDSWJP-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM COc1ccc([C@H](C)CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129598071 1021518691 /nfs/dbraw/zinc/51/86/91/1021518691.db2.gz XQJODIOPDBFQJL-LLVKDONJSA-N -1 3 303.333 3.672 20 0 DHADHM CC(C)CCc1nc(COC(=O)c2ccc([O-])cc2)cs1 ZINC000744475386 1021555590 /nfs/dbraw/zinc/55/55/90/1021555590.db2.gz NCDRMJVIJMQJPY-UHFFFAOYSA-N -1 3 305.399 3.794 20 0 DHADHM O=C(OCc1cccc(Cl)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000744628553 1021584682 /nfs/dbraw/zinc/58/46/82/1021584682.db2.gz PGIBLJLCSKUZEQ-UHFFFAOYSA-N -1 3 305.548 3.727 20 0 DHADHM CC[C@@H](NCc1ncc(Br)cc1[O-])c1ccccc1 ZINC000892742809 1021591354 /nfs/dbraw/zinc/59/13/54/1021591354.db2.gz YFCQBXXTWMFVGC-CYBMUJFWSA-N -1 3 321.218 3.791 20 0 DHADHM COc1cccc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)c1[O-] ZINC000154826719 1021662640 /nfs/dbraw/zinc/66/26/40/1021662640.db2.gz PIUDEVHWRIOERM-UHFFFAOYSA-N -1 3 313.397 3.975 20 0 DHADHM CC(C)(C)CCC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000154920340 1021733209 /nfs/dbraw/zinc/73/32/09/1021733209.db2.gz HKOOWKMIWJQBSQ-UHFFFAOYSA-N -1 3 317.216 3.581 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(F)c3F)n[n-]2)o1 ZINC000919326325 1021763946 /nfs/dbraw/zinc/76/39/46/1021763946.db2.gz TXRITLGMDJLUCE-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3cccc(F)c3F)[n-]n2)o1 ZINC000919326325 1021763964 /nfs/dbraw/zinc/76/39/64/1021763964.db2.gz TXRITLGMDJLUCE-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM CC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746078326 1021840736 /nfs/dbraw/zinc/84/07/36/1021840736.db2.gz GJZQONSNGHKNSG-NSHDSACASA-N -1 3 318.756 3.847 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)CCC(F)(F)F)c([O-])c1 ZINC001324477070 1021929071 /nfs/dbraw/zinc/92/90/71/1021929071.db2.gz AJHJONZQCAOSNV-UHFFFAOYSA-N -1 3 319.323 3.596 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000620203421 1022071503 /nfs/dbraw/zinc/07/15/03/1022071503.db2.gz UGZHAOMRHJZZMV-ZDUSSCGKSA-N -1 3 305.443 3.766 20 0 DHADHM O=C(CCc1cccc(C(F)(F)F)c1)[N-]OC1CCCC1 ZINC000766444893 1022115441 /nfs/dbraw/zinc/11/54/41/1022115441.db2.gz VBRGKMDEIWGNQV-UHFFFAOYSA-N -1 3 301.308 3.628 20 0 DHADHM CCO[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153602384 1022228221 /nfs/dbraw/zinc/22/82/21/1022228221.db2.gz SDBXXFXYICNHGI-HNNXBMFYSA-N -1 3 305.761 3.762 20 0 DHADHM C[C@@H]1[C@@H](C)CCN1Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000174949801 1022271162 /nfs/dbraw/zinc/27/11/62/1022271162.db2.gz BUJACRADXAYDFK-QWHCGFSZSA-N -1 3 308.495 3.751 20 0 DHADHM Cc1ccc(C)c(Sc2ccc(NC(=O)c3cnn[n-]3)cc2)c1 ZINC000195568289 1022292915 /nfs/dbraw/zinc/29/29/15/1022292915.db2.gz DTDWSCXXEXRDBV-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM Cc1ccc(C)c(Sc2ccc(NC(=O)c3c[n-]nn3)cc2)c1 ZINC000195568289 1022292923 /nfs/dbraw/zinc/29/29/23/1022292923.db2.gz DTDWSCXXEXRDBV-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM Cc1ccc(C)c(Sc2ccc(NC(=O)c3cn[n-]n3)cc2)c1 ZINC000195568289 1022292931 /nfs/dbraw/zinc/29/29/31/1022292931.db2.gz DTDWSCXXEXRDBV-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM CCCc1nc(C)c(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000853665806 1022311543 /nfs/dbraw/zinc/31/15/43/1022311543.db2.gz UZCDNAMGRQXULI-UHFFFAOYSA-N -1 3 308.422 3.844 20 0 DHADHM CCc1cc(CCCO[N-]C(=O)CCC2CCCCC2)on1 ZINC000853666000 1022312120 /nfs/dbraw/zinc/31/21/20/1022312120.db2.gz XPXRXDRBCKPVDF-UHFFFAOYSA-N -1 3 308.422 3.578 20 0 DHADHM COC(=O)c1cnc(Nc2ccc(Cl)c([O-])c2)c(Cl)c1 ZINC001212589525 1022360808 /nfs/dbraw/zinc/36/08/08/1022360808.db2.gz QARADZDGPFEUCH-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589392 1022361758 /nfs/dbraw/zinc/36/17/58/1022361758.db2.gz JGAKQUNYNMXVCW-UHFFFAOYSA-N -1 3 304.655 3.909 20 0 DHADHM Cc1ccc(N[C@H]2C[C@H](C)c3ccccc32)cc1-c1nnn[n-]1 ZINC001169372318 1022370529 /nfs/dbraw/zinc/37/05/29/1022370529.db2.gz DWZBNBCENRDKHH-SJCJKPOMSA-N -1 3 305.385 3.836 20 0 DHADHM Cc1ccc(N[C@H]2C[C@H](C)c3ccccc32)cc1-c1nn[n-]n1 ZINC001169372318 1022370542 /nfs/dbraw/zinc/37/05/42/1022370542.db2.gz DWZBNBCENRDKHH-SJCJKPOMSA-N -1 3 305.385 3.836 20 0 DHADHM COc1ccc2c(c1)nccc2Nc1ccc(F)c(F)c1[O-] ZINC001203528729 1022406259 /nfs/dbraw/zinc/40/62/59/1022406259.db2.gz VPZFVHRULUMDSU-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCn1c2ccccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155844921 1022424494 /nfs/dbraw/zinc/42/44/94/1022424494.db2.gz VCDFIQDNFQFMNE-NSHDSACASA-N -1 3 314.414 3.714 20 0 DHADHM COC(=O)c1cc(OC)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212591224 1022450829 /nfs/dbraw/zinc/45/08/29/1022450829.db2.gz BDDKWEJKOGONOS-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM COc1ccc(NC(C)=O)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592258 1022474587 /nfs/dbraw/zinc/47/45/87/1022474587.db2.gz GYQCMNDYSDPDQE-UHFFFAOYSA-N -1 3 306.749 3.756 20 0 DHADHM CN1CCN(c2cccc(Nc3ccc(Cl)c([O-])c3)c2)C1=O ZINC001212593252 1022485774 /nfs/dbraw/zinc/48/57/74/1022485774.db2.gz HMYYQSKPAVSMFU-UHFFFAOYSA-N -1 3 317.776 3.661 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000156683540 1022485945 /nfs/dbraw/zinc/48/59/45/1022485945.db2.gz ORPZVQYYIATHII-UHFFFAOYSA-N -1 3 315.354 3.829 20 0 DHADHM COC(=O)c1c(Nc2ccc(Cl)c([O-])c2)cccc1OC ZINC001212593801 1022513500 /nfs/dbraw/zinc/51/35/00/1022513500.db2.gz KQTMRRZLKPWOAK-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cccnc1CNc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001169732737 1022524970 /nfs/dbraw/zinc/52/49/70/1022524970.db2.gz KDAFXSUQDNVSNT-UHFFFAOYSA-N -1 3 320.217 3.576 20 0 DHADHM CC(C)(C)C(=O)Nc1cc(F)ccc1NCc1ncccc1[O-] ZINC001169733012 1022528312 /nfs/dbraw/zinc/52/83/12/1022528312.db2.gz QXCBFEZAFJBHFW-UHFFFAOYSA-N -1 3 317.364 3.523 20 0 DHADHM CCc1cc2c(nc(Cl)nc2NCc2ncccc2[O-])s1 ZINC001169734367 1022528636 /nfs/dbraw/zinc/52/86/36/1022528636.db2.gz VNOMCVYCLBXPHD-UHFFFAOYSA-N -1 3 320.805 3.620 20 0 DHADHM [O-]c1cc(Nc2c(F)cccc2N2CCOCC2)ccc1Cl ZINC001212595288 1022557872 /nfs/dbraw/zinc/55/78/72/1022557872.db2.gz MCRQSMFOZYOUSY-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000621170972 1022613715 /nfs/dbraw/zinc/61/37/15/1022613715.db2.gz FOJJZGQVAPRSJM-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000621207982 1022639905 /nfs/dbraw/zinc/63/99/05/1022639905.db2.gz HKLJYSGVMPAKNU-WFASDCNBSA-N -1 3 305.443 3.909 20 0 DHADHM Cc1oc2ccccc2c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000767098767 1022645150 /nfs/dbraw/zinc/64/51/50/1022645150.db2.gz ADLQIZPYWMLKBT-UHFFFAOYSA-N -1 3 313.328 3.671 20 0 DHADHM O=C([O-])C[C@H](NCc1cc(Cl)cs1)c1ccsc1 ZINC000417534965 1022771219 /nfs/dbraw/zinc/77/12/19/1022771219.db2.gz OUCFPFFMNAGVGH-NSHDSACASA-N -1 3 301.820 3.769 20 0 DHADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000417526866 1022771379 /nfs/dbraw/zinc/77/13/79/1022771379.db2.gz CSFIFEMJDIHGKT-CQSZACIVSA-N -1 3 323.389 3.592 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000417571176 1022788547 /nfs/dbraw/zinc/78/85/47/1022788547.db2.gz XDBAAWCHTQOFQM-YGRLFVJLSA-N -1 3 309.818 3.953 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000621554558 1022794475 /nfs/dbraw/zinc/79/44/75/1022794475.db2.gz OXYVUNAFNFBXJQ-AWEZNQCLSA-N -1 3 324.302 3.716 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1cc(-c2ccco2)on1 ZINC000114451908 1022837485 /nfs/dbraw/zinc/83/74/85/1022837485.db2.gz XUIPVIHVJYICDX-UHFFFAOYSA-N -1 3 318.373 3.843 20 0 DHADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617094648 1022844963 /nfs/dbraw/zinc/84/49/63/1022844963.db2.gz PIFZITBHYFUUOJ-UHFFFAOYSA-N -1 3 320.418 3.553 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000132981052 1033086193 /nfs/dbraw/zinc/08/61/93/1033086193.db2.gz TZHOSBHICNVFPV-GHMZBOCLSA-N -1 3 319.298 3.516 20 0 DHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C1CC1)C1CC1 ZINC000621802713 1022888049 /nfs/dbraw/zinc/88/80/49/1022888049.db2.gz IECGLSASJVXKNQ-UHFFFAOYSA-N -1 3 313.319 3.672 20 0 DHADHM Cc1sc([N-]C(=O)c2ncoc2C(F)(F)F)nc1C(C)C ZINC000617247528 1022896181 /nfs/dbraw/zinc/89/61/81/1022896181.db2.gz JAYCYVSXNURIRU-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM Cc1coc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)n1 ZINC000163422429 1022914394 /nfs/dbraw/zinc/91/43/94/1022914394.db2.gz SHDOQJBIGVBUCJ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCC/C(C)=C/C(=O)NCc1ccc([O-])c(Br)c1 ZINC000768294190 1022943170 /nfs/dbraw/zinc/94/31/70/1022943170.db2.gz CMWOPAJOAIPGFI-JXMROGBWSA-N -1 3 312.207 3.517 20 0 DHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941139 1022959322 /nfs/dbraw/zinc/95/93/22/1022959322.db2.gz JNXNAHKZDCOWFM-SKDRFNHKSA-N -1 3 301.308 3.814 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H]3CCCc4ccccc43)no2)c1 ZINC000324783955 1022966563 /nfs/dbraw/zinc/96/65/63/1022966563.db2.gz HLMSTHAQXPIKPO-HNNXBMFYSA-N -1 3 322.364 3.919 20 0 DHADHM O=C(Nc1ccc2c(n1)CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622094168 1023033984 /nfs/dbraw/zinc/03/39/84/1023033984.db2.gz DEXLVRICGBRKLU-UHFFFAOYSA-N -1 3 322.286 3.547 20 0 DHADHM C[C@H]1c2cccn2CCN1Cc1ccc(Br)c([O-])c1 ZINC001236698477 1023068950 /nfs/dbraw/zinc/06/89/50/1023068950.db2.gz LUMJUNPZHFHSDB-NSHDSACASA-N -1 3 321.218 3.533 20 0 DHADHM CCc1cccc(C(=O)N[C@H](c2ncccc2C)C(C)C)c1[O-] ZINC000622375221 1023128527 /nfs/dbraw/zinc/12/85/27/1023128527.db2.gz SBYYJVMVAXUGIX-INIZCTEOSA-N -1 3 312.413 3.785 20 0 DHADHM CSC[C@H]1CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000319517681 1023167380 /nfs/dbraw/zinc/16/73/80/1023167380.db2.gz BGXAZLPYOAVBDU-LBPRGKRZSA-N -1 3 316.426 3.512 20 0 DHADHM O=C(Cc1ccc(Cl)cc1Cl)[N-]OCCC(F)(F)F ZINC000162777324 1023224373 /nfs/dbraw/zinc/22/43/73/1023224373.db2.gz LOYSKUCOKDQLJN-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000769831455 1023225523 /nfs/dbraw/zinc/22/55/23/1023225523.db2.gz IYDGTVHPAHNJTR-OAHLLOKOSA-N -1 3 303.308 3.648 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(CC(C)C)cc2)n1 ZINC000660746742 1023395936 /nfs/dbraw/zinc/39/59/36/1023395936.db2.gz OCIUVNGYMLSXSL-UHFFFAOYSA-N -1 3 313.445 3.714 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(C(C)(C)C)c2)n1 ZINC000660750207 1023397641 /nfs/dbraw/zinc/39/76/41/1023397641.db2.gz 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/nfs/dbraw/zinc/79/48/72/1023794872.db2.gz QHXSZCBEDAKNQA-SNVBAGLBSA-N -1 3 321.789 3.690 20 0 DHADHM C[C@H](N[C@@H](C)[C@H](C)C(=O)[O-])c1ncc(-c2ccc(Cl)cc2)o1 ZINC000652365433 1023817861 /nfs/dbraw/zinc/81/78/61/1023817861.db2.gz MZZFOAFFNXXORA-DCAQKATOSA-N -1 3 322.792 3.755 20 0 DHADHM Cc1nc(C)c(COC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000787842030 1023825205 /nfs/dbraw/zinc/82/52/05/1023825205.db2.gz DUOVCSHYBRXQCS-UHFFFAOYSA-N -1 3 323.389 3.671 20 0 DHADHM Cc1ccccc1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845626 1023825262 /nfs/dbraw/zinc/82/52/62/1023825262.db2.gz QDNYOMTUYSIVGO-UHFFFAOYSA-N -1 3 302.345 3.906 20 0 DHADHM CC[C@@H](Cc1ccccc1)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC000652428430 1023857620 /nfs/dbraw/zinc/85/76/20/1023857620.db2.gz LALCCEZYPDGIOB-AWEZNQCLSA-N -1 3 318.442 3.685 20 0 DHADHM Cc1nc(C)c(NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000788306386 1023868139 /nfs/dbraw/zinc/86/81/39/1023868139.db2.gz WRESOGDFTXWBQM-UHFFFAOYSA-N -1 3 304.396 3.933 20 0 DHADHM O=C(Nc1cc(F)ccc1O)c1cc2sccc2c([O-])c1 ZINC000788304313 1023868503 /nfs/dbraw/zinc/86/85/03/1023868503.db2.gz ISCDCAXKPIEXCM-UHFFFAOYSA-N -1 3 303.314 3.704 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCCCOC(C)(C)C)n[n-]2)o1 ZINC000789034117 1023976913 /nfs/dbraw/zinc/97/69/13/1023976913.db2.gz ZMFDPUGXIGYOQJ-UHFFFAOYSA-N -1 3 320.389 3.730 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCCCOC(C)(C)C)[n-]n2)o1 ZINC000789034117 1023976933 /nfs/dbraw/zinc/97/69/33/1023976933.db2.gz ZMFDPUGXIGYOQJ-UHFFFAOYSA-N -1 3 320.389 3.730 20 0 DHADHM [O-]c1ccccc1-c1nnc(CSC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000882260187 1024012695 /nfs/dbraw/zinc/01/26/95/1024012695.db2.gz CYQZUJOJRHSHCR-ZSBIGDGJSA-N -1 3 302.399 3.722 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC12CCCC2 ZINC000452748079 1024179037 /nfs/dbraw/zinc/17/90/37/1024179037.db2.gz JMLSIHWICJUJDJ-SNVBAGLBSA-N -1 3 324.218 3.982 20 0 DHADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C)c2)cc1 ZINC000187244152 1024185870 /nfs/dbraw/zinc/18/58/70/1024185870.db2.gz HALHDDKVMRHGNG-KRWDZBQOSA-N -1 3 324.380 3.892 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ncccc1Cl ZINC000859649562 1033194503 /nfs/dbraw/zinc/19/45/03/1033194503.db2.gz WHEGNDFIHAYSCF-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066588303 1024234812 /nfs/dbraw/zinc/23/48/12/1024234812.db2.gz AUCBPNSORPWDPO-UHFFFAOYSA-N -1 3 307.440 3.659 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]1C1CC1 ZINC000452978039 1024256927 /nfs/dbraw/zinc/25/69/27/1024256927.db2.gz BAEHXHIPRLYSNC-QGZVFWFLSA-N -1 3 309.365 3.809 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(OC)c2)CC)n1 ZINC000453031416 1024292486 /nfs/dbraw/zinc/29/24/86/1024292486.db2.gz VQOCMGRZBAMAAO-NTUHNPAUSA-N -1 3 316.376 3.821 20 0 DHADHM Cc1cc(=O)[n-]c(CSCC[C@@H](C)OCc2ccccc2)n1 ZINC000790559697 1024325265 /nfs/dbraw/zinc/32/52/65/1024325265.db2.gz QHJQDAAMLFROQF-CQSZACIVSA-N -1 3 318.442 3.719 20 0 DHADHM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000159360882 1024361190 /nfs/dbraw/zinc/36/11/90/1024361190.db2.gz MSGPWYJRVUHHPN-ZDUSSCGKSA-N -1 3 316.376 3.709 20 0 DHADHM CC1(c2cc([N-]C(=O)c3csc(Cl)n3)no2)CCCC1 ZINC000790991023 1024413821 /nfs/dbraw/zinc/41/38/21/1024413821.db2.gz GQZJFDPDIYLHPB-UHFFFAOYSA-N -1 3 311.794 3.869 20 0 DHADHM COCc1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000747024868 1024535491 /nfs/dbraw/zinc/53/54/91/1024535491.db2.gz RUEDSUIUJGSEEY-UHFFFAOYSA-N -1 3 314.168 3.825 20 0 DHADHM O=C(Oc1ccc([C@@H]2CCOC2)cc1)c1cc2ccsc2[n-]1 ZINC000792159874 1024639443 /nfs/dbraw/zinc/63/94/43/1024639443.db2.gz USCCZPHKPUUVOO-CYBMUJFWSA-N -1 3 313.378 3.953 20 0 DHADHM CS[C@@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792198357 1024648745 /nfs/dbraw/zinc/64/87/45/1024648745.db2.gz LZSZTCCZDSEBIK-ZIAGYGMSSA-N -1 3 301.411 3.559 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000349081058 1024672357 /nfs/dbraw/zinc/67/23/57/1024672357.db2.gz VEBSMEBGTPAPSS-JKSUJKDBSA-N -1 3 317.772 3.904 20 0 DHADHM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc([O-])cc(F)c1 ZINC000349086970 1024675297 /nfs/dbraw/zinc/67/52/97/1024675297.db2.gz WZFYCBXIXXPHLT-KRWDZBQOSA-N -1 3 314.360 3.754 20 0 DHADHM Cc1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)no1 ZINC000055454063 1024709634 /nfs/dbraw/zinc/70/96/34/1024709634.db2.gz YMJOJISTPTWMRG-UHFFFAOYSA-N -1 3 316.304 3.890 20 0 DHADHM CC(C)Cn1ncc(NCc2cc([O-])cc(F)c2)c1C(F)F ZINC000349648298 1024736566 /nfs/dbraw/zinc/73/65/66/1024736566.db2.gz YJLJLTJTLAZBNR-UHFFFAOYSA-N -1 3 313.323 3.934 20 0 DHADHM CC(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000349652955 1024737321 /nfs/dbraw/zinc/73/73/21/1024737321.db2.gz HWWUQQHIKDTGAE-UHFFFAOYSA-N -1 3 320.392 3.582 20 0 DHADHM Cc1ccc(C(=O)N[C@@](C)(Cc2ccccc2)C2CC2)c([O-])c1 ZINC001299437106 1024926920 /nfs/dbraw/zinc/92/69/20/1024926920.db2.gz ADYBKIUIELFGQT-FQEVSTJZSA-N -1 3 309.409 3.842 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc(-c2cccs2)s1 ZINC000263358981 1024944668 /nfs/dbraw/zinc/94/46/68/1024944668.db2.gz ROTHSRKLDFAIOK-GHMZBOCLSA-N -1 3 322.455 3.557 20 0 DHADHM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263447315 1025005118 /nfs/dbraw/zinc/00/51/18/1025005118.db2.gz YGJPPPBSEJTKMQ-UHFFFAOYSA-N -1 3 307.390 3.851 20 0 DHADHM [O-]c1ccc(F)c(CN(Cc2ccc(O)cc2)CC2CC2)c1F ZINC000353506434 1025097139 /nfs/dbraw/zinc/09/71/39/1025097139.db2.gz YIEAYNWUCLRTHV-UHFFFAOYSA-N -1 3 319.351 3.788 20 0 DHADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000135327311 1025215815 /nfs/dbraw/zinc/21/58/15/1025215815.db2.gz QYVMVUBMXQEDGL-LLVKDONJSA-N -1 3 314.223 3.647 20 0 DHADHM CSCCO[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000794181557 1025232428 /nfs/dbraw/zinc/23/24/28/1025232428.db2.gz VZLMGDFFFHLSBQ-UHFFFAOYSA-N -1 3 315.866 3.710 20 0 DHADHM Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000877203666 1033271020 /nfs/dbraw/zinc/27/10/20/1033271020.db2.gz NQSMQJYQCVXAMI-HXUWFJFHSA-N -1 3 324.424 3.520 20 0 DHADHM [O-]c1cccc(O[C@@H]2COCc3ccccc32)c1Br ZINC001229141181 1025416544 /nfs/dbraw/zinc/41/65/44/1025416544.db2.gz JENNJJNBIGEINK-CQSZACIVSA-N -1 3 321.170 3.805 20 0 DHADHM CSCC[C@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354789522 1025503985 /nfs/dbraw/zinc/50/39/85/1025503985.db2.gz BGVVZTSLLHMFDJ-LBPRGKRZSA-N -1 3 303.427 3.759 20 0 DHADHM Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])c(Cl)n1 ZINC000806549413 1025907354 /nfs/dbraw/zinc/90/73/54/1025907354.db2.gz UXWIFEJDIZAFSC-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2Cl)c1[O-] ZINC000808188413 1026223022 /nfs/dbraw/zinc/22/30/22/1026223022.db2.gz WEKWBIWXPZXOJP-MDZDMXLPSA-N -1 3 315.756 3.900 20 0 DHADHM Cc1ccnc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000320374977 1026267606 /nfs/dbraw/zinc/26/76/06/1026267606.db2.gz AEHSQMLAONQZKP-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCCOc1ccccc1 ZINC000729264001 1026405349 /nfs/dbraw/zinc/40/53/49/1026405349.db2.gz PSXOSYADYWNXIU-UHFFFAOYSA-N -1 3 313.397 3.526 20 0 DHADHM CC(C)(CO)[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000513288146 1026470028 /nfs/dbraw/zinc/47/00/28/1026470028.db2.gz YMWUHVMQMCUWGE-KRWDZBQOSA-N -1 3 319.832 3.895 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000809339012 1026514746 /nfs/dbraw/zinc/51/47/46/1026514746.db2.gz QBEYUDJFYPPHBV-ZUZCIYMTSA-N -1 3 321.298 3.556 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000809339010 1026515673 /nfs/dbraw/zinc/51/56/73/1026515673.db2.gz QBEYUDJFYPPHBV-BONVTDFDSA-N -1 3 321.298 3.556 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC=C(c3ccccc3)C2)c1F ZINC000513638989 1026549254 /nfs/dbraw/zinc/54/92/54/1026549254.db2.gz YKWHFUUJAOFNGZ-UHFFFAOYSA-N -1 3 301.336 3.960 20 0 DHADHM O=C([N-]c1cccc2nsnc21)c1cc(-c2ccccc2)no1 ZINC001131785669 1026572120 /nfs/dbraw/zinc/57/21/20/1026572120.db2.gz WCYJITOAMZGUFH-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM O=S(=O)([N-]CCC1CCCC1)c1c(Cl)cccc1Cl ZINC000030426981 1026612853 /nfs/dbraw/zinc/61/28/53/1026612853.db2.gz OZJNGELCXWPRSM-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM O=C(Nc1ccnn1C1CCCCC1)c1cc([O-])ccc1Cl ZINC000810022373 1026667005 /nfs/dbraw/zinc/66/70/05/1026667005.db2.gz KGYVCJSBIWTZLS-UHFFFAOYSA-N -1 3 319.792 4.000 20 0 DHADHM Cc1cccc2c1CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000810351832 1026750766 /nfs/dbraw/zinc/75/07/66/1026750766.db2.gz VUDAQBLRRGMXBY-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(CCc1ccccc1)C1CC1 ZINC000810628574 1026804903 /nfs/dbraw/zinc/80/49/03/1026804903.db2.gz LPTUCKCKOXUZSW-UHFFFAOYSA-N -1 3 315.800 3.893 20 0 DHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccccc1 ZINC000810633464 1026811926 /nfs/dbraw/zinc/81/19/26/1026811926.db2.gz LMQFPEBASLGNJF-UHFFFAOYSA-N -1 3 319.769 3.923 20 0 DHADHM CC(C)OCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810663525 1026830783 /nfs/dbraw/zinc/83/07/83/1026830783.db2.gz XVJWTOLSRKKQBS-UHFFFAOYSA-N -1 3 301.795 3.855 20 0 DHADHM CC1(C)C[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810706188 1026837856 /nfs/dbraw/zinc/83/78/56/1026837856.db2.gz LDDKFPGSXLUORM-VIFPVBQESA-N -1 3 313.806 3.997 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C(C)C)[C@H](C)c2ccsc2)n1 ZINC000421020075 1026918806 /nfs/dbraw/zinc/91/88/06/1026918806.db2.gz YSSKLFYCVIJWAE-GFCCVEGCSA-N -1 3 305.447 3.778 20 0 DHADHM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1cc([O-])ccc1Cl ZINC000811495130 1027011906 /nfs/dbraw/zinc/01/19/06/1027011906.db2.gz DXSQQOGTMXGWAM-LBPRGKRZSA-N -1 3 322.191 3.596 20 0 DHADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000811691102 1027067954 /nfs/dbraw/zinc/06/79/54/1027067954.db2.gz JLAXBDSNGDHOEE-QOXWLJPHSA-N -1 3 304.296 3.900 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccs1 ZINC000362246385 1027111793 /nfs/dbraw/zinc/11/17/93/1027111793.db2.gz ZIDWJTAJLZRNAI-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM COc1cc(F)c(C(=O)[N-]c2cscc2Cl)c(F)c1 ZINC001133070817 1027128086 /nfs/dbraw/zinc/12/80/86/1027128086.db2.gz NLDDQHUEGYPNHP-UHFFFAOYSA-N -1 3 303.717 3.941 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1[O-] ZINC000572024621 1027162759 /nfs/dbraw/zinc/16/27/59/1027162759.db2.gz QEHSEUBLVPZXAM-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1C(F)(F)F ZINC000812409584 1027270821 /nfs/dbraw/zinc/27/08/21/1027270821.db2.gz SXZHROKVJVHBDT-LJJSCBMDSA-N -1 3 321.726 3.999 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2cccc(C3CCC3)c2)c2ccccc21 ZINC000812445037 1027283570 /nfs/dbraw/zinc/28/35/70/1027283570.db2.gz LCTYUBPSOKZHPO-PDGQHHTCSA-N -1 3 318.376 3.677 20 0 DHADHM O=C(CCCc1ccc2ccccc2c1)[N-]OC/C=C\Cl ZINC000812408833 1027286993 /nfs/dbraw/zinc/28/69/93/1027286993.db2.gz WDDMNPHMBSTGTR-WCIBSUBMSA-N -1 3 303.789 3.963 20 0 DHADHM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000812578526 1027332517 /nfs/dbraw/zinc/33/25/17/1027332517.db2.gz RBKLKQDWRPAMNQ-KBPBESRZSA-N -1 3 308.337 3.630 20 0 DHADHM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000812578526 1027332533 /nfs/dbraw/zinc/33/25/33/1027332533.db2.gz RBKLKQDWRPAMNQ-KBPBESRZSA-N -1 3 308.337 3.630 20 0 DHADHM O=C(CCCOc1cccc(Cl)c1Cl)[N-]OC1CCC1 ZINC000812793061 1027423078 /nfs/dbraw/zinc/42/30/78/1027423078.db2.gz MRLLQFQGBKJQBF-UHFFFAOYSA-N -1 3 318.200 3.753 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc3ccccc3c2)cc1 ZINC000747833862 1027501681 /nfs/dbraw/zinc/50/16/81/1027501681.db2.gz APNJUMDCVYJOCV-UHFFFAOYSA-N -1 3 305.377 3.939 20 0 DHADHM Cc1cc2ccccc2c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000296703812 1027712834 /nfs/dbraw/zinc/71/28/34/1027712834.db2.gz BAECLAPBUBECBW-MRXNPFEDSA-N -1 3 300.358 3.728 20 0 DHADHM Cc1cc2ccccc2c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000296703812 1027712847 /nfs/dbraw/zinc/71/28/47/1027712847.db2.gz BAECLAPBUBECBW-MRXNPFEDSA-N -1 3 300.358 3.728 20 0 DHADHM CO[C@@H]1CCOc2c(NCc3cc([O-])cc(F)c3)cccc21 ZINC000577338762 1027754859 /nfs/dbraw/zinc/75/48/59/1027754859.db2.gz MAOFDMKNLNXMLU-MRXNPFEDSA-N -1 3 303.333 3.613 20 0 DHADHM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001134128418 1027911965 /nfs/dbraw/zinc/91/19/65/1027911965.db2.gz NYPFTRKPBLUIOO-AWEZNQCLSA-N -1 3 324.384 3.581 20 0 DHADHM CSc1ccc(C(=O)N2CC[C@@H]2c2ccccc2F)c([O-])c1 ZINC000365592652 1027977295 /nfs/dbraw/zinc/97/72/95/1027977295.db2.gz WXDICINURWVXTP-OAHLLOKOSA-N -1 3 317.385 3.840 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N(CC1CCCCC1)C1CC1 ZINC000448750820 1028063084 /nfs/dbraw/zinc/06/30/84/1028063084.db2.gz JLBQSFJEPKJRNJ-UHFFFAOYSA-N -1 3 305.393 3.645 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1nc(Cl)cs1 ZINC000366427604 1028077908 /nfs/dbraw/zinc/07/79/08/1028077908.db2.gz GZIVXAOORVIGJO-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000448968683 1028216421 /nfs/dbraw/zinc/21/64/21/1028216421.db2.gz LTVDUZBVJKBURJ-DOTOQJQBSA-N -1 3 313.372 3.526 20 0 DHADHM Cc1ccccc1[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448962150 1028232682 /nfs/dbraw/zinc/23/26/82/1028232682.db2.gz PAXWVQDAFWCAMC-IBGZPJMESA-N -1 3 313.372 3.650 20 0 DHADHM CCO[N-]C(=O)CC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000367880724 1028254774 /nfs/dbraw/zinc/25/47/74/1028254774.db2.gz VNEUAAQEDYVFMO-WHCAJBEMSA-N -1 3 305.340 3.593 20 0 DHADHM C[C@]1(C(=O)[O-])CCCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000565426146 1028585415 /nfs/dbraw/zinc/58/54/15/1028585415.db2.gz JTZLTLAWODREKA-HNNXBMFYSA-N -1 3 316.228 3.723 20 0 DHADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000626530855 1028591211 /nfs/dbraw/zinc/59/12/11/1028591211.db2.gz DXWZPWYHXVMZBM-ZDUSSCGKSA-N -1 3 303.427 3.855 20 0 DHADHM CC[C@@H](C)CCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000370579701 1028621447 /nfs/dbraw/zinc/62/14/47/1028621447.db2.gz MQSJYXYISXCYRH-GFCCVEGCSA-N -1 3 313.401 3.922 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000370688122 1028637286 /nfs/dbraw/zinc/63/72/86/1028637286.db2.gz HCAIQFDURSOPQF-QEJZJMRPSA-N -1 3 321.298 3.568 20 0 DHADHM CC(C)(F)c1cc([N-]C(=O)c2cc3c(ccnc3Cl)o2)no1 ZINC001135374106 1028723204 /nfs/dbraw/zinc/72/32/04/1028723204.db2.gz YNKUZUMKVSJJDD-UHFFFAOYSA-N -1 3 323.711 3.926 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1[O-] ZINC000627276763 1028747404 /nfs/dbraw/zinc/74/74/04/1028747404.db2.gz ODZISHRIENGLRT-JKSUJKDBSA-N -1 3 309.365 3.645 20 0 DHADHM COCOc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000816433767 1028869708 /nfs/dbraw/zinc/86/97/08/1028869708.db2.gz YGXGWRVBPHQCDD-UHFFFAOYSA-N -1 3 323.348 3.780 20 0 DHADHM C[C@@H]1c2ccccc2OCCN1Cc1c(F)ccc([O-])c1F ZINC000816493796 1028899547 /nfs/dbraw/zinc/89/95/47/1028899547.db2.gz NPURRPNWMHIQNT-LLVKDONJSA-N -1 3 305.324 3.626 20 0 DHADHM CC1=C(Br)CN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000816597664 1028955870 /nfs/dbraw/zinc/95/58/70/1028955870.db2.gz BCWZHLKDUUUUCM-UHFFFAOYSA-N -1 3 318.161 3.545 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]Oc1ccccc1 ZINC000816684766 1028989039 /nfs/dbraw/zinc/98/90/39/1028989039.db2.gz PFZJOHPRSBEUFZ-OAHLLOKOSA-N -1 3 311.381 3.615 20 0 DHADHM CN(C[C@@H]1CC=CCC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000529014717 1029022462 /nfs/dbraw/zinc/02/24/62/1029022462.db2.gz LRNHRWLAQYQJKV-LLVKDONJSA-N -1 3 324.218 3.583 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000816981090 1029047915 /nfs/dbraw/zinc/04/79/15/1029047915.db2.gz ZVENBGBYMDDYEX-CQSZACIVSA-N -1 3 300.402 3.708 20 0 DHADHM CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000449909729 1029077699 /nfs/dbraw/zinc/07/76/99/1029077699.db2.gz CCYQJNJMCMPTFD-UHFFFAOYSA-N -1 3 317.360 3.890 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H]3C=CCCC3)c2)n1 ZINC000778651715 1029091313 /nfs/dbraw/zinc/09/13/13/1029091313.db2.gz PYUZTHIAPSTJIN-AWEZNQCLSA-N -1 3 324.380 3.809 20 0 DHADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)ccc1OC(C)C ZINC000449940135 1029094915 /nfs/dbraw/zinc/09/49/15/1029094915.db2.gz LERGQYBUIBJKPE-UHFFFAOYSA-N -1 3 317.360 3.808 20 0 DHADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OCC1CC1 ZINC000817368661 1029137196 /nfs/dbraw/zinc/13/71/96/1029137196.db2.gz YBZQLDQRDNTMMS-UHFFFAOYSA-N -1 3 308.230 3.835 20 0 DHADHM Cc1ccc(C)c(OCCCCC(=O)[N-]OCCC2CC2)c1 ZINC000817393007 1029144746 /nfs/dbraw/zinc/14/47/46/1029144746.db2.gz GHEAJMFZVMBBDF-UHFFFAOYSA-N -1 3 305.418 3.700 20 0 DHADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OCCC2CC2)c1 ZINC000817412961 1029152775 /nfs/dbraw/zinc/15/27/75/1029152775.db2.gz JSLRXPBJKAXALP-AWEZNQCLSA-N -1 3 305.418 3.817 20 0 DHADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OCCC1CC1 ZINC000817413443 1029152935 /nfs/dbraw/zinc/15/29/35/1029152935.db2.gz TVFPUZLJXCHJHA-UHFFFAOYSA-N -1 3 302.201 3.774 20 0 DHADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OCCC1CC1 ZINC000817416891 1029155954 /nfs/dbraw/zinc/15/59/54/1029155954.db2.gz ZTYRCQOIZCVODZ-UHFFFAOYSA-N -1 3 302.201 3.774 20 0 DHADHM Cc1ccc(O[C@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000569016216 1029159559 /nfs/dbraw/zinc/15/95/59/1029159559.db2.gz VWVDZFQRCXKKNQ-LLVKDONJSA-N -1 3 305.761 3.760 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OCCC1CC1 ZINC000817442179 1029170474 /nfs/dbraw/zinc/17/04/74/1029170474.db2.gz WXXJABGXDSLUCD-UHFFFAOYSA-N -1 3 317.360 3.866 20 0 DHADHM CCCc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)no1 ZINC000450082472 1029182477 /nfs/dbraw/zinc/18/24/77/1029182477.db2.gz CSWNNSCMMQKGNM-UHFFFAOYSA-N -1 3 314.263 3.604 20 0 DHADHM Cc1nc(CC(C)C)c(NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000450126038 1029215468 /nfs/dbraw/zinc/21/54/68/1029215468.db2.gz CCWZTBRIADHQAQ-UHFFFAOYSA-N -1 3 322.405 3.676 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](CC)O1 ZINC000817640385 1029223645 /nfs/dbraw/zinc/22/36/45/1029223645.db2.gz QHRFJZXJAYTCMB-STQMWFEESA-N -1 3 319.426 3.637 20 0 DHADHM Cc1ccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000817707990 1029230456 /nfs/dbraw/zinc/23/04/56/1029230456.db2.gz TVSUXQFQRABDDJ-UHFFFAOYSA-N -1 3 313.378 3.886 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000155571655 1029254942 /nfs/dbraw/zinc/25/49/42/1029254942.db2.gz PVIXSVWOGURNDM-SFHVURJKSA-N -1 3 324.380 3.838 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000155571655 1029254958 /nfs/dbraw/zinc/25/49/58/1029254958.db2.gz PVIXSVWOGURNDM-SFHVURJKSA-N -1 3 324.380 3.838 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)C(C)C ZINC000529400953 1029258964 /nfs/dbraw/zinc/25/89/64/1029258964.db2.gz DXOHEEOBVPENDI-JTQLQIEISA-N -1 3 314.223 3.661 20 0 DHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929043 1029273097 /nfs/dbraw/zinc/27/30/97/1029273097.db2.gz CTVKGGFOPVSGDW-WMZOPIPTSA-N -1 3 324.424 3.773 20 0 DHADHM CC(C)c1ccc(CN(C(=O)c2ccc(N)cc2[O-])C2CC2)cc1 ZINC000817907421 1029273516 /nfs/dbraw/zinc/27/35/16/1029273516.db2.gz WEULYTLBMQVDDY-UHFFFAOYSA-N -1 3 324.424 3.903 20 0 DHADHM CCCN(C(=O)c1ccc(N)cc1[O-])[C@H](CC)c1ccccc1 ZINC000817917532 1029274386 /nfs/dbraw/zinc/27/43/86/1029274386.db2.gz RBCZFRHHJWZQIU-QGZVFWFLSA-N -1 3 312.413 3.978 20 0 DHADHM C[C@@H]1CC(CCSc2nc3c(cnn3C)c(=O)[n-]2)C[C@@H](C)C1 ZINC000629218363 1029279863 /nfs/dbraw/zinc/27/98/63/1029279863.db2.gz MDXHEFJWLNUJEU-QWRGUYRKSA-N -1 3 320.462 3.623 20 0 DHADHM COCCOc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000044012198 1029305315 /nfs/dbraw/zinc/30/53/15/1029305315.db2.gz NSFHCXGPNQKFFQ-XDHOZWIPSA-N -1 3 319.788 3.690 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCc1cccnc1 ZINC000155836234 1029313980 /nfs/dbraw/zinc/31/39/80/1029313980.db2.gz KPDPPKMSESKZJC-UHFFFAOYSA-N -1 3 318.376 3.539 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000629373695 1029317743 /nfs/dbraw/zinc/31/77/43/1029317743.db2.gz LAIASEOPTJJJPX-UMVBOHGHSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000629373692 1029318113 /nfs/dbraw/zinc/31/81/13/1029318113.db2.gz LAIASEOPTJJJPX-GUTXKFCHSA-N -1 3 311.784 3.554 20 0 DHADHM C[C@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)C[C@H](C)C1(F)F ZINC000629383068 1029323928 /nfs/dbraw/zinc/32/39/28/1029323928.db2.gz SWWZGRBNSUMFDE-QWRGUYRKSA-N -1 3 320.339 3.661 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1[O-] ZINC000412107224 1029325328 /nfs/dbraw/zinc/32/53/28/1029325328.db2.gz JOCHNKGQLCWGFK-MSOLQXFVSA-N -1 3 323.392 3.661 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(OC)cc(Cl)c1F ZINC000412218405 1029364094 /nfs/dbraw/zinc/36/40/94/1029364094.db2.gz RYOJLPPXJZYJAS-UHFFFAOYSA-N -1 3 312.728 3.599 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])oc1C)[C@H](C)c1cccc(OC)c1 ZINC000571053106 1029444907 /nfs/dbraw/zinc/44/49/07/1029444907.db2.gz CHQURUQUUOCMBQ-GFCCVEGCSA-N -1 3 317.385 3.878 20 0 DHADHM CC(C)(C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000450466837 1029495745 /nfs/dbraw/zinc/49/57/45/1029495745.db2.gz JWVYHFCBEICOAJ-GFCCVEGCSA-N -1 3 321.314 3.557 20 0 DHADHM O=C(CCc1cccc(OC(F)F)c1)[N-]OC1CCCCC1 ZINC000819503458 1029577792 /nfs/dbraw/zinc/57/77/92/1029577792.db2.gz JXZRYWSBXWWPSP-UHFFFAOYSA-N -1 3 313.344 3.601 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)s2)c1[O-] ZINC000819823175 1029620645 /nfs/dbraw/zinc/62/06/45/1029620645.db2.gz FKOXFEDABKBCEY-SOFGYWHQSA-N -1 3 321.785 3.962 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000023655580 1029832257 /nfs/dbraw/zinc/83/22/57/1029832257.db2.gz PPXJFWHEKYBTQD-UHFFFAOYSA-N -1 3 301.824 3.704 20 0 DHADHM O=C(Cc1csc(C2CCCC2)n1)Nc1cccc([O-])c1F ZINC000821394983 1029835244 /nfs/dbraw/zinc/83/52/44/1029835244.db2.gz OCKADOCPGGUCTD-UHFFFAOYSA-N -1 3 320.389 3.827 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1[O-] ZINC000530641554 1029946784 /nfs/dbraw/zinc/94/67/84/1029946784.db2.gz LOQQPOLFMUKLMP-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM O=C(OCC[C@@H]1CCCCO1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085709 1030016232 /nfs/dbraw/zinc/01/62/32/1030016232.db2.gz PIGXIKZUNKKGID-JTQLQIEISA-N -1 3 324.327 3.617 20 0 DHADHM COc1nscc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000924142685 1030026148 /nfs/dbraw/zinc/02/61/48/1030026148.db2.gz IQANOSKJWDREQQ-UHFFFAOYSA-N -1 3 317.370 3.698 20 0 DHADHM COc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000357408821 1030039370 /nfs/dbraw/zinc/03/93/70/1030039370.db2.gz JRYRDJFZKCWJEH-GHRIWEEISA-N -1 3 318.376 3.562 20 0 DHADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc([O-])ccc1Cl ZINC000290414599 1030039666 /nfs/dbraw/zinc/03/96/66/1030039666.db2.gz LQAJGLXYMFCUFB-ZDUSSCGKSA-N -1 3 323.820 3.657 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(O)c(COC(C)C)c2)c1[O-] ZINC000290661796 1030144781 /nfs/dbraw/zinc/14/47/81/1030144781.db2.gz RTEJSAIEOTVHEF-UHFFFAOYSA-N -1 3 315.369 3.584 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000533184838 1030182707 /nfs/dbraw/zinc/18/27/07/1030182707.db2.gz DBELVABRRNWVBJ-KRWDZBQOSA-N -1 3 324.424 3.671 20 0 DHADHM Cc1cc2c(CC(=O)[N-]OC/C=C\Cl)csc2s1 ZINC000868469432 1030586089 /nfs/dbraw/zinc/58/60/89/1030586089.db2.gz KGKRDIJMTKCGIM-IHWYPQMZSA-N -1 3 301.820 3.614 20 0 DHADHM CC(=O)c1ccc([C@H](C)Nc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001171060585 1030594555 /nfs/dbraw/zinc/59/45/55/1030594555.db2.gz YSVXSKWGNUKMDF-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM CC(=O)c1ccc([C@H](C)Nc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001171060585 1030594558 /nfs/dbraw/zinc/59/45/58/1030594558.db2.gz YSVXSKWGNUKMDF-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1(C)C ZINC001136924084 1030615093 /nfs/dbraw/zinc/61/50/93/1030615093.db2.gz NXJDTIKZOSHHDM-IRXDYDNUSA-N -1 3 319.445 3.791 20 0 DHADHM [O-]c1ccc(Nc2ccc(Br)cc2O)c(F)c1F ZINC001212007432 1030642503 /nfs/dbraw/zinc/64/25/03/1030642503.db2.gz DNHOCZPXZYVPPL-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCOC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1C ZINC001212010974 1030653429 /nfs/dbraw/zinc/65/34/29/1030653429.db2.gz KPTNXXUQSZRVGO-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM COC(Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1)OC ZINC001212016549 1030676762 /nfs/dbraw/zinc/67/67/62/1030676762.db2.gz VTMALPMPSLCRCA-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM COC(=O)[C@@H]1CCc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212016547 1030677048 /nfs/dbraw/zinc/67/70/48/1030677048.db2.gz VSWIOZFMKQXDRO-GFCCVEGCSA-N -1 3 319.307 3.617 20 0 DHADHM [O-]c1cc(F)cc(CNc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000358998802 1030719414 /nfs/dbraw/zinc/71/94/14/1030719414.db2.gz WEYKDPCUXZEWTN-UHFFFAOYSA-N -1 3 317.751 3.983 20 0 DHADHM CCCCC[C@@H](CC)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304814 1030771096 /nfs/dbraw/zinc/77/10/96/1030771096.db2.gz KTAOSNRRKBXZLF-CYBMUJFWSA-N -1 3 319.449 3.672 20 0 DHADHM CCc1ncsc1NC(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149191402 1030885121 /nfs/dbraw/zinc/88/51/21/1030885121.db2.gz SZWDIYZFTTULKQ-UHFFFAOYSA-N -1 3 313.382 3.520 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000615040028 1030945871 /nfs/dbraw/zinc/94/58/71/1030945871.db2.gz YUYZKBIAPOQISB-HNNXBMFYSA-N -1 3 303.427 3.519 20 0 DHADHM CCCO[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000844083948 1030949815 /nfs/dbraw/zinc/94/98/15/1030949815.db2.gz VUQXCFQMRVETIW-CHWSQXEVSA-N -1 3 316.426 3.804 20 0 DHADHM CC(C)n1nccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000359521152 1031004343 /nfs/dbraw/zinc/00/43/43/1031004343.db2.gz CGVSHSXFPXCNJU-DTQAZKPQSA-N -1 3 320.396 3.743 20 0 DHADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212093884 1031006723 /nfs/dbraw/zinc/00/67/23/1031006723.db2.gz NXNRVDRAJHZWNY-AAEUAGOBSA-N -1 3 322.257 3.706 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000292585338 1031083522 /nfs/dbraw/zinc/08/35/22/1031083522.db2.gz GWTUNZYHSMZNRL-IAGOWNOFSA-N -1 3 317.429 3.545 20 0 DHADHM COc1cccc([C@@H](C)CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871213586 1031162101 /nfs/dbraw/zinc/16/21/01/1031162101.db2.gz UUKWSNXCDNVZQB-NSHDSACASA-N -1 3 319.323 3.579 20 0 DHADHM CC[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871211468 1031162129 /nfs/dbraw/zinc/16/21/29/1031162129.db2.gz SWUVSKGBIOXPAS-GFCCVEGCSA-N -1 3 303.324 3.961 20 0 DHADHM Cc1ccsc1CCCC(=O)[N-]OCCCC(F)(F)F ZINC000871213317 1031162377 /nfs/dbraw/zinc/16/23/77/1031162377.db2.gz NZEBZGKXZWHUMZ-UHFFFAOYSA-N -1 3 309.353 3.770 20 0 DHADHM COc1ccc([C@@H](C)CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871213383 1031162482 /nfs/dbraw/zinc/16/24/82/1031162482.db2.gz PVOXMPBROMHFRV-NSHDSACASA-N -1 3 319.323 3.579 20 0 DHADHM O=C([N-]OCCCC(F)(F)F)C1(Cc2ccccc2F)CC1 ZINC000871215340 1031165223 /nfs/dbraw/zinc/16/52/23/1031165223.db2.gz YPYIFHJFQBIHML-UHFFFAOYSA-N -1 3 319.298 3.539 20 0 DHADHM COc1ccc2c(c1)CCCCN2C(=O)c1c(C)cccc1[O-] ZINC000626318520 1031195395 /nfs/dbraw/zinc/19/53/95/1031195395.db2.gz VPUZRIANEKWCMT-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000928383310 1031293327 /nfs/dbraw/zinc/29/33/27/1031293327.db2.gz HVMNELSYDIHJIM-SUMWQHHRSA-N -1 3 311.381 3.506 20 0 DHADHM C[C@@H](NCc1ccccc1OC(F)F)c1cccc([O-])c1F ZINC000872018548 1031400978 /nfs/dbraw/zinc/40/09/78/1031400978.db2.gz NZMXGCAVOBGJOM-SNVBAGLBSA-N -1 3 311.303 3.984 20 0 DHADHM Cc1nc(NC(=O)c2cc3c(cc2[O-])CCCC3)sc1C ZINC001144285771 1031427263 /nfs/dbraw/zinc/42/72/63/1031427263.db2.gz UPUXSOUOUPXQOF-UHFFFAOYSA-N -1 3 302.399 3.597 20 0 DHADHM C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872046191 1031434084 /nfs/dbraw/zinc/43/40/84/1031434084.db2.gz VJTIZEDMZKSNRT-IINYFYTJSA-N -1 3 305.324 3.845 20 0 DHADHM O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1cc(Br)ccc1[O-] ZINC001144298440 1031436106 /nfs/dbraw/zinc/43/61/06/1031436106.db2.gz RXEUPSGNOQXXDG-OUAUKWLOSA-N -1 3 324.218 3.920 20 0 DHADHM CCOc1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000293628118 1031546691 /nfs/dbraw/zinc/54/66/91/1031546691.db2.gz QWPAPIZGYSXWPO-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](OC3CCC3)CC2)c1F ZINC000872259081 1031561886 /nfs/dbraw/zinc/56/18/86/1031561886.db2.gz KZDKXFROKNBTCZ-CYBMUJFWSA-N -1 3 311.372 3.594 20 0 DHADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(CC)cc2[O-])C1(C)C ZINC001149203814 1031594496 /nfs/dbraw/zinc/59/44/96/1031594496.db2.gz VSPBKLXFJGAGMB-IAGOWNOFSA-N -1 3 319.445 3.668 20 0 DHADHM O=C(C[C@H]1C=CCCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000777815991 1031597719 /nfs/dbraw/zinc/59/77/19/1031597719.db2.gz LYFUWXIFXWOVNL-LBPRGKRZSA-N -1 3 313.319 4.000 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC001144558707 1031711151 /nfs/dbraw/zinc/71/11/51/1031711151.db2.gz AWOOPBGUTYCXNQ-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM CCN(CCc1ccc(OC)cc1)Cc1c(F)cc([O-])cc1F ZINC001144561712 1031714285 /nfs/dbraw/zinc/71/42/85/1031714285.db2.gz MPJVUGGTJRGBTD-UHFFFAOYSA-N -1 3 321.367 3.744 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1 ZINC000294018643 1031758518 /nfs/dbraw/zinc/75/85/18/1031758518.db2.gz NKBLDIKNEWKLPT-GOEBONIOSA-N -1 3 309.356 3.633 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)Cc1ccccc1 ZINC001144629086 1031776844 /nfs/dbraw/zinc/77/68/44/1031776844.db2.gz UAXFEJGKVCJMFX-UHFFFAOYSA-N -1 3 315.388 3.554 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144657621 1031794019 /nfs/dbraw/zinc/79/40/19/1031794019.db2.gz ANQJGQHWIUOPHT-LLVKDONJSA-N -1 3 307.340 3.872 20 0 DHADHM CN(CCc1cccc(Cl)c1)Cc1cc(F)c([O-])cc1F ZINC001144657918 1031794415 /nfs/dbraw/zinc/79/44/15/1031794415.db2.gz NEXNXEMESYXGQU-UHFFFAOYSA-N -1 3 311.759 3.998 20 0 DHADHM O=C([O-])c1ccsc1CN1CCSC[C@@H]1c1ccccc1 ZINC001144678016 1031822491 /nfs/dbraw/zinc/82/24/91/1031822491.db2.gz LTZXGBLTCKUDBR-CQSZACIVSA-N -1 3 319.451 3.736 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCCCCC1 ZINC000846230118 1031936345 /nfs/dbraw/zinc/93/63/45/1031936345.db2.gz CSYNNSVQUIWZHF-UHFFFAOYSA-N -1 3 315.417 3.521 20 0 DHADHM C/C(=C\CN(CCc1ccc(C)cc1)Cc1ccco1)C(=O)[O-] ZINC000846251580 1031944187 /nfs/dbraw/zinc/94/41/87/1031944187.db2.gz LNBMVVALKAWFNS-CXUHLZMHSA-N -1 3 313.397 3.664 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OC[C@@H]1CCCCC1(F)F ZINC000842028729 1031956155 /nfs/dbraw/zinc/95/61/55/1031956155.db2.gz UZSZHVDLPVRJKV-HNNXBMFYSA-N -1 3 311.372 3.883 20 0 DHADHM CCCCOc1ncccc1CNCc1c(F)ccc([O-])c1F ZINC000294365063 1031959319 /nfs/dbraw/zinc/95/93/19/1031959319.db2.gz UBSCQLRJLCWIHH-UHFFFAOYSA-N -1 3 322.355 3.534 20 0 DHADHM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000846375240 1031969425 /nfs/dbraw/zinc/96/94/25/1031969425.db2.gz NKIYGFFCGIWHBL-CVEARBPZSA-N -1 3 313.397 3.575 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1sccc1C(F)F ZINC000874086479 1031973570 /nfs/dbraw/zinc/97/35/70/1031973570.db2.gz JCZKMPZHRLQVCH-UHFFFAOYSA-N -1 3 301.343 3.667 20 0 DHADHM C[C@@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)C[C@]1(F)Cl ZINC000846400417 1031973820 /nfs/dbraw/zinc/97/38/20/1031973820.db2.gz PICLXJKNKKWVAA-IAGOWNOFSA-N -1 3 321.779 3.980 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000044253789 1032043060 /nfs/dbraw/zinc/04/30/60/1032043060.db2.gz ZPNMFQHUZPNJAE-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(CCCOc1ccccc1Cl)[N-]OC1CCCCC1 ZINC000777960130 1032045011 /nfs/dbraw/zinc/04/50/11/1032045011.db2.gz QWFVRSGFAGQOLC-UHFFFAOYSA-N -1 3 311.809 3.880 20 0 DHADHM O=C(CCOc1ccc(F)c(Cl)c1)[N-]OC1CCCCC1 ZINC000777960098 1032045105 /nfs/dbraw/zinc/04/51/05/1032045105.db2.gz PRICEWFVEZIIKD-UHFFFAOYSA-N -1 3 315.772 3.629 20 0 DHADHM CCOc1ccc(OCCCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777959893 1032045748 /nfs/dbraw/zinc/04/57/48/1032045748.db2.gz IRRODFNNIZCGIH-UHFFFAOYSA-N -1 3 321.417 3.625 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]OC1CCCCC1 ZINC000777963750 1032047649 /nfs/dbraw/zinc/04/76/49/1032047649.db2.gz YTIYNERFXANWPO-OAHLLOKOSA-N -1 3 317.429 3.886 20 0 DHADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000138057869 1033336407 /nfs/dbraw/zinc/33/64/07/1033336407.db2.gz JZLKKMIMHUBVSD-QMMMGPOBSA-N -1 3 307.781 3.518 20 0 DHADHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001137246554 1033340552 /nfs/dbraw/zinc/34/05/52/1033340552.db2.gz GKMJMBAGHLFDMR-TZMCWYRMSA-N -1 3 311.472 3.518 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(C2CCCC2)C1 ZINC000477881568 1033361394 /nfs/dbraw/zinc/36/13/94/1033361394.db2.gz BLEGYLKBVVWXMQ-UHFFFAOYSA-N -1 3 305.393 3.503 20 0 DHADHM CCN(Cc1cccs1)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877904914 1033505184 /nfs/dbraw/zinc/50/51/84/1033505184.db2.gz SEUCZPMLETXWPL-UHFFFAOYSA-N -1 3 315.398 3.526 20 0 DHADHM Cc1nc2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2o1 ZINC000552780879 1033510189 /nfs/dbraw/zinc/51/01/89/1033510189.db2.gz UXTIUEGXNOVZOE-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN(Cc2ccccc2)C2CC2)o1 ZINC000877916393 1033514199 /nfs/dbraw/zinc/51/41/99/1033514199.db2.gz GCKANOSGIRYGKJ-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccc1C ZINC000877929519 1033518909 /nfs/dbraw/zinc/51/89/09/1033518909.db2.gz GKIZDINNNUFZMC-UHFFFAOYSA-N -1 3 323.396 3.773 20 0 DHADHM [O-]c1cncc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)c1 ZINC001212708444 1033571974 /nfs/dbraw/zinc/57/19/74/1033571974.db2.gz IHKISXCIPRGJBF-UHFFFAOYSA-N -1 3 313.700 3.904 20 0 DHADHM COc1ccc(-c2noc(-c3cncc([O-])c3)n2)c2ccccc12 ZINC001212709680 1033575604 /nfs/dbraw/zinc/57/56/04/1033575604.db2.gz HVYFDJNCRCBKIF-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000667411307 1033598364 /nfs/dbraw/zinc/59/83/64/1033598364.db2.gz CORVDIMVRUGNPD-VTXSZYRJSA-N -1 3 317.454 3.765 20 0 DHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(OC(C)C)c1 ZINC001206195983 1033605703 /nfs/dbraw/zinc/60/57/03/1033605703.db2.gz HSTXBGNAOFMGIU-UHFFFAOYSA-N -1 3 312.348 3.768 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(OC(C)C)c1 ZINC001206195983 1033605709 /nfs/dbraw/zinc/60/57/09/1033605709.db2.gz HSTXBGNAOFMGIU-UHFFFAOYSA-N -1 3 312.348 3.768 20 0 DHADHM Cc1cccc([C@@H](C)NCc2nnc(-c3ccccc3[O-])o2)c1C ZINC000878363877 1033674751 /nfs/dbraw/zinc/67/47/51/1033674751.db2.gz BFQVNZXBUFWQPT-CQSZACIVSA-N -1 3 323.396 3.910 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000861755121 1033712287 /nfs/dbraw/zinc/71/22/87/1033712287.db2.gz OUVBSTSWEFWZJI-UHFFFAOYSA-N -1 3 315.369 3.584 20 0 DHADHM CC[C@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000479477314 1033770755 /nfs/dbraw/zinc/77/07/55/1033770755.db2.gz UDTPTTJKFRURRH-CTYIDZIISA-N -1 3 307.409 3.939 20 0 DHADHM NC(=O)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1[O-] ZINC001173811733 1033855730 /nfs/dbraw/zinc/85/57/30/1033855730.db2.gz VNRCUEWOFSDQQC-UHFFFAOYSA-N -1 3 304.349 3.902 20 0 DHADHM COc1ccc(Nc2nc3c(cccc3[O-])s2)c(OC)c1 ZINC001173889230 1033974357 /nfs/dbraw/zinc/97/43/57/1033974357.db2.gz WGXXIOZQVHGTCT-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175551955 1034026403 /nfs/dbraw/zinc/02/64/03/1034026403.db2.gz UGOIZMQNCSGHEB-VXGBXAGGSA-N -1 3 308.397 3.640 20 0 DHADHM Cc1cc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c(C)s1 ZINC000023346585 1034027770 /nfs/dbraw/zinc/02/77/70/1034027770.db2.gz PMRHGJSBMWIMAP-UHFFFAOYSA-N -1 3 319.407 3.947 20 0 DHADHM CC(C)CNC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174079423 1034135433 /nfs/dbraw/zinc/13/54/33/1034135433.db2.gz UTOZXFNKSJWGFE-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM CCCCNC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174124767 1034147796 /nfs/dbraw/zinc/14/77/96/1034147796.db2.gz KAIRPNVCOTVMSR-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM [O-]c1c(F)cc(Nc2cnn(Cc3ccccc3)c2)cc1F ZINC001174133689 1034159176 /nfs/dbraw/zinc/15/91/76/1034159176.db2.gz TVIBJHRRDPBXDF-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM Cc1cc(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051091 1034279243 /nfs/dbraw/zinc/27/92/43/1034279243.db2.gz AGSMKOUDMXJAHM-KGLIPLIRSA-N -1 3 321.417 3.502 20 0 DHADHM O=c1cc(CSCc2ccc(CF)cc2)nc(C2CC2)[n-]1 ZINC000842176259 1034285131 /nfs/dbraw/zinc/28/51/31/1034285131.db2.gz MQBJSCITLXODEJ-UHFFFAOYSA-N -1 3 304.390 3.963 20 0 DHADHM Cc1cccc(CO[N-]C(=O)CCCc2ccccc2Cl)n1 ZINC000898929908 1034325946 /nfs/dbraw/zinc/32/59/46/1034325946.db2.gz DUXALDYZAWVUQO-UHFFFAOYSA-N -1 3 318.804 3.614 20 0 DHADHM CCOc1cc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)ccc1O ZINC000864355656 1034327226 /nfs/dbraw/zinc/32/72/26/1034327226.db2.gz OMBWYILZSVTIKF-UHFFFAOYSA-N -1 3 316.382 3.785 20 0 DHADHM Cn1cc(-c2ccc(Nc3cc([O-])c(F)cc3F)cc2)cn1 ZINC001174380256 1034355992 /nfs/dbraw/zinc/35/59/92/1034355992.db2.gz NTEQRJYFPLJFFQ-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM CSc1ccc(CNCc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864517282 1034372870 /nfs/dbraw/zinc/37/28/70/1034372870.db2.gz CQQFSTDKSXMXHC-UHFFFAOYSA-N -1 3 315.438 3.716 20 0 DHADHM CCOc1c(Cl)cc(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001174533601 1034448557 /nfs/dbraw/zinc/44/85/57/1034448557.db2.gz KFGFSEXZHKMXFT-UHFFFAOYSA-N -1 3 314.172 3.940 20 0 DHADHM Fc1ccc2nc([N-]c3cnn([C@@H]4CCCCO4)c3)oc2c1 ZINC001174598430 1034526113 /nfs/dbraw/zinc/52/61/13/1034526113.db2.gz HOQZHCNTIXNTOC-AWEZNQCLSA-N -1 3 302.309 3.606 20 0 DHADHM CCc1c(C)cc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1C ZINC001174678857 1034545642 /nfs/dbraw/zinc/54/56/42/1034545642.db2.gz GQJGBACFMOTLPE-UHFFFAOYSA-N -1 3 318.442 3.557 20 0 DHADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000794821798 1034549023 /nfs/dbraw/zinc/54/90/23/1034549023.db2.gz XCUISXSFAKMYLL-OAHLLOKOSA-N -1 3 308.381 3.525 20 0 DHADHM CC(C)COC[C@H](NCc1cc([O-])cc(F)c1)c1ccco1 ZINC000185506398 1034554032 /nfs/dbraw/zinc/55/40/32/1034554032.db2.gz PLEFPBXWNHTUFY-INIZCTEOSA-N -1 3 307.365 3.628 20 0 DHADHM [O-]c1ccc(CNCc2csc(-c3ccco3)n2)cc1F ZINC000120504475 1034598686 /nfs/dbraw/zinc/59/86/86/1034598686.db2.gz BQCIIQGWYXOYGY-UHFFFAOYSA-N -1 3 304.346 3.538 20 0 DHADHM CCc1c(-c2cccc(C)c2)[n-]n(C2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000899359457 1034604249 /nfs/dbraw/zinc/60/42/49/1034604249.db2.gz APTFKEUMUNEYJI-CPUCHLNUSA-N -1 3 314.429 3.524 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(CC2CC2)CC1 ZINC000881520634 1034610892 /nfs/dbraw/zinc/61/08/92/1034610892.db2.gz SEDYKEKWECHFQE-UHFFFAOYSA-N -1 3 305.393 3.551 20 0 DHADHM Cc1oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2c1C ZINC000186450897 1034633177 /nfs/dbraw/zinc/63/31/77/1034633177.db2.gz VKMKQVJOMPFVRK-OAHLLOKOSA-N -1 3 304.346 3.629 20 0 DHADHM Cc1oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2c1C ZINC000186450897 1034633186 /nfs/dbraw/zinc/63/31/86/1034633186.db2.gz VKMKQVJOMPFVRK-OAHLLOKOSA-N -1 3 304.346 3.629 20 0 DHADHM CN(C)[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])s3)cccc21 ZINC001174808954 1034635113 /nfs/dbraw/zinc/63/51/13/1034635113.db2.gz XMHJITQHLNBTBF-GFCCVEGCSA-N -1 3 318.398 3.575 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](CF)C1 ZINC000881668705 1034671661 /nfs/dbraw/zinc/67/16/61/1034671661.db2.gz QVBIWFOTONVBRE-CYBMUJFWSA-N -1 3 315.344 3.616 20 0 DHADHM O=c1[n-]cncc1Nc1ccc(F)c(OCc2ccccc2)c1 ZINC001174989708 1034718010 /nfs/dbraw/zinc/71/80/10/1034718010.db2.gz QPSMORQMSHSNDV-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1c(F)ccc(F)c1F ZINC001175027022 1034758667 /nfs/dbraw/zinc/75/86/67/1034758667.db2.gz ZJWHJABRERLKOP-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM COC(=O)/C=C/c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175101944 1034783886 /nfs/dbraw/zinc/78/38/86/1034783886.db2.gz AZQPAWCXLTXIKA-AATRIKPKSA-N -1 3 305.280 3.600 20 0 DHADHM COCCOc1c(F)cccc1Nc1c(F)cc([O-])cc1F ZINC001175103786 1034786756 /nfs/dbraw/zinc/78/67/56/1034786756.db2.gz YXTWGTACXWJIRN-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CCOc1ccc(F)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175079348 1034798927 /nfs/dbraw/zinc/79/89/27/1034798927.db2.gz IFLLECYRBSGVGU-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)n1 ZINC000192725600 1034816181 /nfs/dbraw/zinc/81/61/81/1034816181.db2.gz TUAGOZWCJJTDND-GHMZBOCLSA-N -1 3 323.343 3.504 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)n1 ZINC000192725572 1034817238 /nfs/dbraw/zinc/81/72/38/1034817238.db2.gz TUAGOZWCJJTDND-WDEREUQCSA-N -1 3 323.343 3.504 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(Cc3ccccc3)no2)c1F ZINC001175260776 1034911967 /nfs/dbraw/zinc/91/19/67/1034911967.db2.gz AFVPSKFQRZAMTQ-UHFFFAOYSA-N -1 3 302.280 3.993 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(F)nc2Br)c1F ZINC001175264057 1034912506 /nfs/dbraw/zinc/91/25/06/1034912506.db2.gz RBSYUFURYMIMSP-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1cc(Br)ncc1Nc1c(F)ccc([O-])c1F ZINC001175262555 1034912633 /nfs/dbraw/zinc/91/26/33/1034912633.db2.gz KAHCHTJOHJTGPE-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2c(O)cccc2Br)c1F ZINC001175268379 1034913635 /nfs/dbraw/zinc/91/36/35/1034913635.db2.gz LQZZHFSFSBIYFF-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CC(C)OC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268558 1034914731 /nfs/dbraw/zinc/91/47/31/1034914731.db2.gz UBYCPXPZLSOIQA-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175269073 1034916542 /nfs/dbraw/zinc/91/65/42/1034916542.db2.gz ABPCSICIKFNUTL-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM CC1(C)COC(c2ccc(Nc3c(F)ccc([O-])c3F)cc2)=N1 ZINC001175271627 1034917529 /nfs/dbraw/zinc/91/75/29/1034917529.db2.gz YKGVLQJMGYEFLV-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM CC(=O)c1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001175272497 1034918380 /nfs/dbraw/zinc/91/83/80/1034918380.db2.gz SONDBOTZHVWYGT-UHFFFAOYSA-N -1 3 311.316 3.663 20 0 DHADHM c1nc(Nc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccccc1 ZINC001175421777 1034975916 /nfs/dbraw/zinc/97/59/16/1034975916.db2.gz BWRMKAPFZXGICL-UHFFFAOYSA-N -1 3 320.381 3.734 20 0 DHADHM Clc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC001175428971 1034977983 /nfs/dbraw/zinc/97/79/83/1034977983.db2.gz QDQKGKDPVRRHAO-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Fc1cc(F)c(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430042 1034980227 /nfs/dbraw/zinc/98/02/27/1034980227.db2.gz BPWVMUHYYHMVAQ-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM CC1(C)CCc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC001175432462 1034980466 /nfs/dbraw/zinc/98/04/66/1034980466.db2.gz NTZHDSRZWQDJEH-UHFFFAOYSA-N -1 3 321.384 3.714 20 0 DHADHM CCOc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001175559368 1035043246 /nfs/dbraw/zinc/04/32/46/1035043246.db2.gz AUQNCKDXXVGBHW-UHFFFAOYSA-N -1 3 300.145 3.631 20 0 DHADHM CCNC(=O)c1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001175632259 1035054299 /nfs/dbraw/zinc/05/42/99/1035054299.db2.gz GPEHJIIBCNSPLX-UHFFFAOYSA-N -1 3 304.777 3.847 20 0 DHADHM [O-]c1cccc(Nc2cnn(C3CCC3)c2)c1Br ZINC001175763194 1035113987 /nfs/dbraw/zinc/11/39/87/1035113987.db2.gz YNLDVJQJHSDZNQ-UHFFFAOYSA-N -1 3 308.179 3.820 20 0 DHADHM CC(=O)OCc1cccc(C)c1Nc1cc(F)c([O-])c(F)c1 ZINC001212771391 1035133280 /nfs/dbraw/zinc/13/32/80/1035133280.db2.gz UEQIZTNUPFNPOU-UHFFFAOYSA-N -1 3 307.296 3.786 20 0 DHADHM Cc1cc(C(F)(F)F)ccc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001176205037 1035223772 /nfs/dbraw/zinc/22/37/72/1035223772.db2.gz CIXDLSMMFXKUCM-UHFFFAOYSA-N -1 3 310.275 3.562 20 0 DHADHM O=c1cc(Nc2c(F)cc(F)c(F)c2F)[n-]n1-c1ccccc1 ZINC001176349121 1035254718 /nfs/dbraw/zinc/25/47/18/1035254718.db2.gz CEDSDYMUAHDQNU-UHFFFAOYSA-N -1 3 323.249 3.878 20 0 DHADHM Cn1cc(Nc2cc([O-])c(F)cc2F)c(-c2ccccc2)n1 ZINC001176568742 1035297789 /nfs/dbraw/zinc/29/77/89/1035297789.db2.gz AYKABRWCXQQWNJ-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM COCOc1ccc(F)cc1Nc1nc2c(cccc2[O-])s1 ZINC001176714757 1035326699 /nfs/dbraw/zinc/32/66/99/1035326699.db2.gz UFEYHMUBLRZIBH-UHFFFAOYSA-N -1 3 320.345 3.867 20 0 DHADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(F)nc2)cc1 ZINC000904002437 1035337452 /nfs/dbraw/zinc/33/74/52/1035337452.db2.gz WLROHQKRQFFCDH-INIZCTEOSA-N -1 3 316.376 3.650 20 0 DHADHM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045984 1035352955 /nfs/dbraw/zinc/35/29/55/1035352955.db2.gz TVXOUXJKHFXRSW-HNNXBMFYSA-N -1 3 307.390 3.755 20 0 DHADHM CC[C@H](N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2)c1cc(F)ccc1F ZINC000904221850 1035385206 /nfs/dbraw/zinc/38/52/06/1035385206.db2.gz QPEYPIAWEYYZLO-RRFJBIMHSA-N -1 3 324.371 3.584 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(-c3ccccc3)co2)n1 ZINC000195099332 1035412047 /nfs/dbraw/zinc/41/20/47/1035412047.db2.gz COEIXNQSATVOCI-LLVKDONJSA-N -1 3 313.382 3.999 20 0 DHADHM O=C(Nc1cccc2ccccc21)c1cc2c(cc1[O-])OCO2 ZINC000436755367 1035490811 /nfs/dbraw/zinc/49/08/11/1035490811.db2.gz LNWFQNSROWKUJG-UHFFFAOYSA-N -1 3 307.305 3.526 20 0 DHADHM O=S(=O)([N-][C@H]1CCCC12CC2)c1c(Cl)cccc1Cl ZINC001193370254 1035619069 /nfs/dbraw/zinc/61/90/69/1035619069.db2.gz QRBNDIAUKWGFDX-NSHDSACASA-N -1 3 320.241 3.604 20 0 DHADHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCCC(F)(F)CC1 ZINC001193734824 1035709333 /nfs/dbraw/zinc/70/93/33/1035709333.db2.gz YZXWONKSTVJRQN-UHFFFAOYSA-N -1 3 323.261 3.672 20 0 DHADHM C[C@@]1(F)CCCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193735842 1035711924 /nfs/dbraw/zinc/71/19/24/1035711924.db2.gz UGCQVBPGNUXOQX-CQSZACIVSA-N -1 3 319.298 3.765 20 0 DHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747443 1035728782 /nfs/dbraw/zinc/72/87/82/1035728782.db2.gz JOZMBDXITOXUPK-GHMZBOCLSA-N -1 3 315.335 3.967 20 0 DHADHM Cc1ccc(CSc2nc(NC(=O)CC(C)(C)C)n[n-]2)cc1 ZINC001180832674 1035763453 /nfs/dbraw/zinc/76/34/53/1035763453.db2.gz MOEAIYOYNIYYOV-UHFFFAOYSA-N -1 3 318.446 3.780 20 0 DHADHM Cc1ccc2c(cccc2NC(=O)c2c(C)cc(O)cc2[O-])n1 ZINC001193937348 1035763654 /nfs/dbraw/zinc/76/36/54/1035763654.db2.gz VSPQIOVKHICADY-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM Cc1ccccc1[C@@H](C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436959253 1035767142 /nfs/dbraw/zinc/76/71/42/1035767142.db2.gz CFGAIIBCRXUWLY-LLVKDONJSA-N -1 3 324.336 3.631 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)CCc2ccc(Cl)cc2)c1 ZINC000539814764 1035867556 /nfs/dbraw/zinc/86/75/56/1035867556.db2.gz YPRNYAFZZBBYSG-UHFFFAOYSA-N -1 3 317.816 3.923 20 0 DHADHM CCc1ccc([O-])c(C(=O)NC2(c3nc(C)cs3)CCC2)c1 ZINC000539844154 1035903209 /nfs/dbraw/zinc/90/32/09/1035903209.db2.gz MWTKVCNUTOLECZ-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)c1ccc(C(F)(F)F)o1 ZINC001194405249 1035923106 /nfs/dbraw/zinc/92/31/06/1035923106.db2.gz OREPWWHGCARTLE-UHFFFAOYSA-N -1 3 323.230 3.601 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000646872227 1035948100 /nfs/dbraw/zinc/94/81/00/1035948100.db2.gz ZJIGZSJVNDCCTA-IINYFYTJSA-N -1 3 313.319 3.816 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(F)cc1C ZINC001194643516 1035976089 /nfs/dbraw/zinc/97/60/89/1035976089.db2.gz XQPRJKCEMHUCPR-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM C[C@H](CC(=O)Nc1cncc([O-])c1)Sc1ccc(Cl)cc1 ZINC001181766405 1035986745 /nfs/dbraw/zinc/98/67/45/1035986745.db2.gz MRVRMXLNNDVGRC-SNVBAGLBSA-N -1 3 322.817 3.950 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)o1 ZINC000540204487 1036008755 /nfs/dbraw/zinc/00/87/55/1036008755.db2.gz FYANVUCJHVHVQI-HNNXBMFYSA-N -1 3 307.415 3.654 20 0 DHADHM Cc1cccc2ccc([N-]S(=O)(=O)CC[Si](C)(C)C)nc12 ZINC001195039338 1036111961 /nfs/dbraw/zinc/11/19/61/1036111961.db2.gz ZWPQZTKSLHNLLY-UHFFFAOYSA-N -1 3 322.506 3.623 20 0 DHADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc2ccccc2s1 ZINC000907008312 1036127023 /nfs/dbraw/zinc/12/70/23/1036127023.db2.gz RDXRLBNUPVQIGA-UHFFFAOYSA-N -1 3 323.361 3.522 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nc(-c2ccccc2)c[nH]1 ZINC001195346626 1036222068 /nfs/dbraw/zinc/22/20/68/1036222068.db2.gz SDGJDTCAHAEPJX-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1C ZINC000541245095 1036274319 /nfs/dbraw/zinc/27/43/19/1036274319.db2.gz RJVCQUMDLKAIOU-UHFFFAOYSA-N -1 3 307.752 3.732 20 0 DHADHM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195805232 1036353770 /nfs/dbraw/zinc/35/37/70/1036353770.db2.gz BPAUIMJDLZUHQN-UHFFFAOYSA-N -1 3 313.378 3.655 20 0 DHADHM CCCCCc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195802417 1036354526 /nfs/dbraw/zinc/35/45/26/1036354526.db2.gz BXYPSSGUAZCCJM-UHFFFAOYSA-N -1 3 319.426 3.926 20 0 DHADHM CCCCCc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195802417 1036354546 /nfs/dbraw/zinc/35/45/46/1036354546.db2.gz BXYPSSGUAZCCJM-UHFFFAOYSA-N -1 3 319.426 3.926 20 0 DHADHM CC(C)Cn1ccc2cc(NC(=O)c3c([O-])cccc3O)ccc21 ZINC001182474567 1036360604 /nfs/dbraw/zinc/36/06/04/1036360604.db2.gz IXOMMRUHTJBRED-UHFFFAOYSA-N -1 3 324.380 3.961 20 0 DHADHM CCC[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC001195842829 1036363852 /nfs/dbraw/zinc/36/38/52/1036363852.db2.gz RWSXPLBAHVTNKB-QGZVFWFLSA-N -1 3 319.426 3.520 20 0 DHADHM COc1cccc(NC(=S)Nc2c([O-])cccc2Cl)c1 ZINC001196048954 1036430614 /nfs/dbraw/zinc/43/06/14/1036430614.db2.gz AOYXTYISYNIEQH-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM COC(=O)c1ccc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)o1 ZINC000914891915 1036443078 /nfs/dbraw/zinc/44/30/78/1036443078.db2.gz RXWKQMBZSXOARF-QMMMGPOBSA-N -1 3 319.338 3.527 20 0 DHADHM Cc1cc(OC(C)C)ccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001196768681 1036602934 /nfs/dbraw/zinc/60/29/34/1036602934.db2.gz JSSNZQWMWPNHSI-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(C3CCCCCCC3)no1)OCO2 ZINC000762356182 1036728012 /nfs/dbraw/zinc/72/80/12/1036728012.db2.gz DFCYZHXLKIMMOC-UHFFFAOYSA-N -1 3 316.357 3.999 20 0 DHADHM CN(Cn1c(CCC2CCCC2)n[n-]c1=S)CC(C)(C)C ZINC000151942924 1036743156 /nfs/dbraw/zinc/74/31/56/1036743156.db2.gz PNVXFFZIIFDCKR-UHFFFAOYSA-N -1 3 310.511 3.999 20 0 DHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc2occc2c1 ZINC001197607778 1036821083 /nfs/dbraw/zinc/82/10/83/1036821083.db2.gz FCJCENKKOREDHO-UHFFFAOYSA-N -1 3 323.320 3.653 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccn1 ZINC000910343467 1036839557 /nfs/dbraw/zinc/83/95/57/1036839557.db2.gz BZSOZHLXXYRNGU-ZDUSSCGKSA-N -1 3 324.302 3.687 20 0 DHADHM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC000492498454 1036898455 /nfs/dbraw/zinc/89/84/55/1036898455.db2.gz DLWVDWRICWJDBU-ALCCZGGFSA-N -1 3 322.286 3.766 20 0 DHADHM CC(=O)c1c(C)c(C)[nH]c1C(=O)Nc1cc2ccccc2cc1[O-] ZINC001184751054 1036946641 /nfs/dbraw/zinc/94/66/41/1036946641.db2.gz GWZQQTUKWYYUMQ-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM Cc1ccc(NC(=O)NCCc2ccccc2)c(Cl)c1[O-] ZINC001184941593 1036971919 /nfs/dbraw/zinc/97/19/19/1036971919.db2.gz XIKMLGKIAAUUHU-UHFFFAOYSA-N -1 3 304.777 3.718 20 0 DHADHM Cc1cccc(C)c1NC(=S)Nc1ncc([O-])cc1Cl ZINC001198333664 1037002361 /nfs/dbraw/zinc/00/23/61/1037002361.db2.gz NMRYNYNNJVEGDW-UHFFFAOYSA-N -1 3 307.806 3.866 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccn1 ZINC000911143640 1037065560 /nfs/dbraw/zinc/06/55/60/1037065560.db2.gz BZSOZHLXXYRNGU-CYBMUJFWSA-N -1 3 324.302 3.687 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)c1[O-] ZINC001152490285 1037102457 /nfs/dbraw/zinc/10/24/57/1037102457.db2.gz PAVALSTWQRTZHT-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCC2)cc1 ZINC000774870786 1037130418 /nfs/dbraw/zinc/13/04/18/1037130418.db2.gz YQGYDORWLUHASK-UHFFFAOYSA-N -1 3 317.429 3.838 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185529709 1037171289 /nfs/dbraw/zinc/17/12/89/1037171289.db2.gz LOWMSUPCSJRMGE-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=c1nc(Cl)cc(N2CCc3c2cccc3C(F)(F)F)[n-]1 ZINC001186069743 1037302346 /nfs/dbraw/zinc/30/23/46/1037302346.db2.gz GDPOPOGAVALPDW-UHFFFAOYSA-N -1 3 315.682 3.549 20 0 DHADHM COc1cccc(CNC(=O)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001186207733 1037345125 /nfs/dbraw/zinc/34/51/25/1037345125.db2.gz QJVCSFZZEFOJOP-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000915875792 1037387162 /nfs/dbraw/zinc/38/71/62/1037387162.db2.gz XECQLAHRWKPAMY-GHMZBOCLSA-N -1 3 321.804 3.630 20 0 DHADHM COc1cccc([O-])c1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC001294439083 1037429314 /nfs/dbraw/zinc/42/93/14/1037429314.db2.gz BPYACTBLWCELII-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2csc(-c3ccoc3)n2)n1 ZINC000763212470 1037487623 /nfs/dbraw/zinc/48/76/23/1037487623.db2.gz LZXUWLWJXLJYJJ-UHFFFAOYSA-N -1 3 319.411 3.641 20 0 DHADHM O=S(=O)([N-][C@@H](CC1CCC1)c1ccc(F)cc1)c1ccco1 ZINC001186884040 1037516225 /nfs/dbraw/zinc/51/62/25/1037516225.db2.gz QPHGPCBIAVIMCJ-HNNXBMFYSA-N -1 3 323.389 3.629 20 0 DHADHM O=S(=O)([N-][C@@H](CC1CCC1)c1cccc(F)c1)c1ccco1 ZINC001186883816 1037516464 /nfs/dbraw/zinc/51/64/64/1037516464.db2.gz JWOMBFAYEDCEIJ-HNNXBMFYSA-N -1 3 323.389 3.629 20 0 DHADHM [O-]c1cnc(NC(=S)Nc2cccc(Cl)c2)c(Cl)c1 ZINC001201102025 1037526890 /nfs/dbraw/zinc/52/68/90/1037526890.db2.gz PCBFKQLSZRZERB-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)c1 ZINC001187102750 1037562937 /nfs/dbraw/zinc/56/29/37/1037562937.db2.gz ZGRYKEZFNNMTCP-LLVKDONJSA-N -1 3 318.870 3.537 20 0 DHADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001187137861 1037583077 /nfs/dbraw/zinc/58/30/77/1037583077.db2.gz KMGHSCAWBWCQDJ-WDEREUQCSA-N -1 3 321.895 3.957 20 0 DHADHM CC(C)[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000490192296 1037632154 /nfs/dbraw/zinc/63/21/54/1037632154.db2.gz FHOBSRKNSHLDDL-CQSZACIVSA-N -1 3 324.384 3.833 20 0 DHADHM CC[C@@H](C)c1ccc(NC(=O)c2[n-]nnc2C(F)(F)F)cc1 ZINC001187757028 1037722195 /nfs/dbraw/zinc/72/21/95/1037722195.db2.gz PEBNVTCAHOYZDK-MRVPVSSYSA-N -1 3 312.295 3.589 20 0 DHADHM CC[C@@H](C)c1ccc(NC(=O)c2nn[n-]c2C(F)(F)F)cc1 ZINC001187757028 1037722215 /nfs/dbraw/zinc/72/22/15/1037722215.db2.gz PEBNVTCAHOYZDK-MRVPVSSYSA-N -1 3 312.295 3.589 20 0 DHADHM Cc1nnsc1C(=O)[N-]c1ccccc1SC(C)(C)C ZINC001187886325 1037752207 /nfs/dbraw/zinc/75/22/07/1037752207.db2.gz XLQIQJUMOHATEG-UHFFFAOYSA-N -1 3 307.444 3.989 20 0 DHADHM O=S(=O)([N-]C12CCC(CC1)C2)c1cccc(Cl)c1Cl ZINC000784416204 1037783293 /nfs/dbraw/zinc/78/32/93/1037783293.db2.gz BELFBBNMSGRXLE-UHFFFAOYSA-N -1 3 320.241 3.604 20 0 DHADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1-c1cccc(F)c1 ZINC000185619328 1037821790 /nfs/dbraw/zinc/82/17/90/1037821790.db2.gz AIUDRIFUQCEQMU-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)C1CCC1 ZINC001188145333 1037829184 /nfs/dbraw/zinc/82/91/84/1037829184.db2.gz XIEUVSQAFJKHHO-UHFFFAOYSA-N -1 3 309.431 3.734 20 0 DHADHM Cc1c(NC(=O)c2cc(C)ccc2[O-])cnn1CCC(C)C ZINC000124442781 1037897033 /nfs/dbraw/zinc/89/70/33/1037897033.db2.gz JJQRBLYOSVCIFG-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM Cc1cc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)ccc1O ZINC000913528332 1037920305 /nfs/dbraw/zinc/92/03/05/1037920305.db2.gz TXFAIAVPIXOFPS-UHFFFAOYSA-N -1 3 317.360 3.531 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2C)cc1F ZINC000187067550 1037942470 /nfs/dbraw/zinc/94/24/70/1037942470.db2.gz IUTUVCAWTSIFTJ-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001188648109 1037942638 /nfs/dbraw/zinc/94/26/38/1037942638.db2.gz CNTIQHFRVLZSAS-HNNXBMFYSA-N -1 3 317.335 3.956 20 0 DHADHM O=C(Nc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC001201955424 1037950862 /nfs/dbraw/zinc/95/08/62/1037950862.db2.gz RBHVKCMXKPRBPS-UHFFFAOYSA-N -1 3 307.147 3.799 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(F)cc1F ZINC001202011994 1037965396 /nfs/dbraw/zinc/96/53/96/1037965396.db2.gz IPQXQLKKTPOLLL-UHFFFAOYSA-N -1 3 307.178 3.616 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2c(F)cccc2F)c1[O-] ZINC001202043714 1037987961 /nfs/dbraw/zinc/98/79/61/1037987961.db2.gz WQNCIPBKXHJAFV-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM COc1ccc(NC(=O)Nc2c([O-])cccc2Cl)cc1OC ZINC001188800077 1037989883 /nfs/dbraw/zinc/98/98/83/1037989883.db2.gz DJUNXGXIHMMPSQ-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc(-c2cnco2)c1 ZINC001188956937 1038020891 /nfs/dbraw/zinc/02/08/91/1038020891.db2.gz QDODYADPGSXOOD-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(-c2cccs2)on1 ZINC001189192051 1038083948 /nfs/dbraw/zinc/08/39/48/1038083948.db2.gz KFRMOFDQEHTCDK-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc(-c2cn[nH]c2)c1 ZINC001189241516 1038096144 /nfs/dbraw/zinc/09/61/44/1038096144.db2.gz IKBJGTSSCFGVDU-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1c(C)cc(F)cc1C ZINC001189286980 1038109389 /nfs/dbraw/zinc/10/93/89/1038109389.db2.gz WYYSEPSUDLWQHA-UHFFFAOYSA-N -1 3 301.317 3.603 20 0 DHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1csc(Cl)c1 ZINC001189416817 1038149413 /nfs/dbraw/zinc/14/94/13/1038149413.db2.gz CBYYEKUYMSSVKK-UHFFFAOYSA-N -1 3 323.773 3.622 20 0 DHADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2F)cc1 ZINC001190431655 1038315843 /nfs/dbraw/zinc/31/58/43/1038315843.db2.gz KDPRPZKODRXNBD-UHFFFAOYSA-N -1 3 322.405 3.709 20 0 DHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1ccc(C2CC2)cc1 ZINC001190500575 1038330234 /nfs/dbraw/zinc/33/02/34/1038330234.db2.gz WTOPYFNFQXJCLM-UHFFFAOYSA-N -1 3 323.801 3.724 20 0 DHADHM CC(F)(F)c1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001190514916 1038331519 /nfs/dbraw/zinc/33/15/19/1038331519.db2.gz XVGUCQABGKFLTL-UHFFFAOYSA-N -1 3 317.295 3.633 20 0 DHADHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001190662987 1038356114 /nfs/dbraw/zinc/35/61/14/1038356114.db2.gz LEIAJQQQANOVIS-UHFFFAOYSA-N -1 3 321.845 3.830 20 0 DHADHM CC(C)(C)c1cnc([N-]C(=O)c2ncoc2C(F)(F)F)s1 ZINC000669292249 1038357739 /nfs/dbraw/zinc/35/77/39/1038357739.db2.gz LBUZMHJOYXKYGY-UHFFFAOYSA-N -1 3 319.308 3.700 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC001191047475 1038435979 /nfs/dbraw/zinc/43/59/79/1038435979.db2.gz BZCRZJLCOXUMRH-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CCCCc1ccc(S(=O)(=O)[N-]c2cnccc2Cl)cc1 ZINC001191225183 1038471320 /nfs/dbraw/zinc/47/13/20/1038471320.db2.gz RDDJILGHCQGBTI-UHFFFAOYSA-N -1 3 324.833 3.878 20 0 DHADHM CC[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609484 1038474135 /nfs/dbraw/zinc/47/41/35/1038474135.db2.gz RCKPPIZUPUBBKA-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM CC[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609483 1038474116 /nfs/dbraw/zinc/47/41/16/1038474116.db2.gz RCKPPIZUPUBBKA-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM CCOc1ccc(-c2cc([N-]C(=O)Nc3ccccn3)on2)cc1 ZINC001191299103 1038484809 /nfs/dbraw/zinc/48/48/09/1038484809.db2.gz JOJRTVASSUEVJY-UHFFFAOYSA-N -1 3 324.340 3.779 20 0 DHADHM O=C([N-]c1cc2ccccc2s1)c1cc(Br)no1 ZINC001191329006 1038490938 /nfs/dbraw/zinc/49/09/38/1038490938.db2.gz OHIOTEUMNLODPJ-UHFFFAOYSA-N -1 3 323.171 3.904 20 0 DHADHM Cc1ccc(F)cc1NC(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001191377419 1038499118 /nfs/dbraw/zinc/49/91/18/1038499118.db2.gz AYDZSNYNPSVSTE-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM COc1cc2c(cc1[N-]C(=O)c1noc(C)n1)oc1ccccc12 ZINC001191999412 1038575373 /nfs/dbraw/zinc/57/53/73/1038575373.db2.gz ILXPHCGATVDHIV-UHFFFAOYSA-N -1 3 323.308 3.538 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccc(O)cc2)cc1 ZINC001192431841 1038647779 /nfs/dbraw/zinc/64/77/79/1038647779.db2.gz KDZIYYQOUGKLDT-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(F)c(C)c1 ZINC001192392940 1038650622 /nfs/dbraw/zinc/65/06/22/1038650622.db2.gz CGCVHCJZJIAHRL-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM C[C@H](CSCCNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000592460368 1039209665 /nfs/dbraw/zinc/20/96/65/1039209665.db2.gz DMMBXWYPZUTVOO-SECBINFHSA-N -1 3 322.257 3.537 20 0 DHADHM O=C([O-])c1cc(CN2CCC(c3ccsc3)CC2)cs1 ZINC000574697036 1039776304 /nfs/dbraw/zinc/77/63/04/1039776304.db2.gz HJUYJFUQBLPUNA-UHFFFAOYSA-N -1 3 307.440 3.887 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1cccs1)C1CC1 ZINC000606631618 1039929754 /nfs/dbraw/zinc/92/97/54/1039929754.db2.gz HWNUMYIPEUYCBQ-HNNXBMFYSA-N -1 3 320.389 3.543 20 0 DHADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000608348670 1040466239 /nfs/dbraw/zinc/46/62/39/1040466239.db2.gz QIYLPOHHZYVYQP-SECBINFHSA-N -1 3 310.275 3.548 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccnc(Oc2ccccc2)c1 ZINC000534210798 1040747869 /nfs/dbraw/zinc/74/78/69/1040747869.db2.gz DDGJLMYMXMLHAS-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000534400761 1040845478 /nfs/dbraw/zinc/84/54/78/1040845478.db2.gz FBRPHFPRFVDVEC-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])C(=O)c1ccccc1 ZINC000602324257 1040964028 /nfs/dbraw/zinc/96/40/28/1040964028.db2.gz DNPWPVVICRFJRA-LLVKDONJSA-N -1 3 317.772 3.893 20 0 DHADHM CCCOc1ccc(F)cc1[N-]c1oncc1C(=O)OCC ZINC001212195884 1041023836 /nfs/dbraw/zinc/02/38/36/1041023836.db2.gz ZTEAHZUBNLXAHQ-UHFFFAOYSA-N -1 3 308.309 3.523 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1[O-] ZINC000078983871 185139312 /nfs/dbraw/zinc/13/93/12/185139312.db2.gz CDYSPSHQBNGIMC-OAHLLOKOSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000006449848 181342210 /nfs/dbraw/zinc/34/22/10/181342210.db2.gz WTRZRZAENUMRFH-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc(F)cc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417604444 335004119 /nfs/dbraw/zinc/00/41/19/335004119.db2.gz USOYAZWMLDNWQJ-QGZVFWFLSA-N -1 3 301.361 3.830 20 0 DHADHM CCCCc1oc2ccccc2c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000417611136 335010825 /nfs/dbraw/zinc/01/08/25/335010825.db2.gz AMXRHHDUFYSCEO-KGLIPLIRSA-N -1 3 313.397 3.894 20 0 DHADHM CCCCc1oc2ccccc2c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000417611135 335010891 /nfs/dbraw/zinc/01/08/91/335010891.db2.gz AMXRHHDUFYSCEO-KBPBESRZSA-N -1 3 313.397 3.894 20 0 DHADHM CCSc1cccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000417617797 335009916 /nfs/dbraw/zinc/00/99/16/335009916.db2.gz COTXCSBXEQWQKH-NSHDSACASA-N -1 3 321.364 3.541 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000417619222 335013317 /nfs/dbraw/zinc/01/33/17/335013317.db2.gz DUCDOMQYCDIDDX-TZMCWYRMSA-N -1 3 324.490 3.954 20 0 DHADHM CC(C)c1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417624801 335015470 /nfs/dbraw/zinc/01/54/70/335015470.db2.gz LBZVCIQFUKPLSI-ZDUSSCGKSA-N -1 3 303.324 3.553 20 0 DHADHM CC(C)c1ncc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417630742 335018775 /nfs/dbraw/zinc/01/87/75/335018775.db2.gz RHLCVPZPUBTWDF-HUUCEWRRSA-N -1 3 316.426 3.669 20 0 DHADHM C[C@H]([C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641194 335025780 /nfs/dbraw/zinc/02/57/80/335025780.db2.gz OUABPJPQPMZTRJ-QUBYGPBYSA-N -1 3 308.230 3.644 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c(C)o1 ZINC000442925879 338439659 /nfs/dbraw/zinc/43/96/59/338439659.db2.gz OEFCROITGQXQSH-UHFFFAOYSA-N -1 3 315.247 3.753 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2sccc2OC)s1 ZINC000105941028 194174591 /nfs/dbraw/zinc/17/45/91/194174591.db2.gz AIHYZOCAVSAIET-UHFFFAOYSA-N -1 3 311.432 3.593 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(C)c2[O-])s1 ZINC000106711589 194246031 /nfs/dbraw/zinc/24/60/31/194246031.db2.gz FNFUEDTVCQVNQX-LLVKDONJSA-N -1 3 304.415 3.607 20 0 DHADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1C1CCCCC1 ZINC000272740881 130060438 /nfs/dbraw/zinc/06/04/38/130060438.db2.gz MBHDGEWJOVKABQ-UHFFFAOYSA-N -1 3 313.401 3.963 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000274391301 130231456 /nfs/dbraw/zinc/23/14/56/130231456.db2.gz CKPSKVCFSKFBIZ-SFHVURJKSA-N -1 3 301.361 3.707 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)c[n-]c12 ZINC000274927428 130275114 /nfs/dbraw/zinc/27/51/14/130275114.db2.gz KLYTYYBKEBAFIX-MRXNPFEDSA-N -1 3 321.380 3.554 20 0 DHADHM O=C(CCCc1ccc(Cl)cc1)[N-]OCCC(F)(F)F ZINC000275054057 130287988 /nfs/dbraw/zinc/28/79/88/130287988.db2.gz IJTHKFPVEPYLNL-UHFFFAOYSA-N -1 3 309.715 3.663 20 0 DHADHM Cc1sc(CNC(=O)c2cc([O-])ccc2Cl)nc1C(C)C ZINC000340199806 131146252 /nfs/dbraw/zinc/14/62/52/131146252.db2.gz VCHODBXDQOBKAM-UHFFFAOYSA-N -1 3 324.833 3.864 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cscc1Br ZINC000285494139 131174552 /nfs/dbraw/zinc/17/45/52/131174552.db2.gz AQXFXMVJWNMBEE-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM O=C(NC(C1CCC1)C1CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000286735514 131248074 /nfs/dbraw/zinc/24/80/74/131248074.db2.gz NAGUKTNLINLLNF-UHFFFAOYSA-N -1 3 310.397 3.639 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCC(F)(F)CC1 ZINC000288078111 131311703 /nfs/dbraw/zinc/31/17/03/131311703.db2.gz FOCAJFVNQJYJJZ-UHFFFAOYSA-N -1 3 323.383 3.921 20 0 DHADHM CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(C)noc1C ZINC000340303990 131357677 /nfs/dbraw/zinc/35/76/77/131357677.db2.gz YEFCIKMAHYLDPZ-NSHDSACASA-N -1 3 308.765 3.783 20 0 DHADHM CC[C@H](C)CON=C([O-])Nc1cc(C)n(C2CCCCC2)n1 ZINC000297500432 132019351 /nfs/dbraw/zinc/01/93/51/132019351.db2.gz VAAKSSPTESNNRI-LBPRGKRZSA-N -1 3 308.426 3.796 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC000297500432 132019353 /nfs/dbraw/zinc/01/93/53/132019353.db2.gz VAAKSSPTESNNRI-LBPRGKRZSA-N -1 3 308.426 3.796 20 0 DHADHM CCCC[C@@H](CC)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299441367 132105915 /nfs/dbraw/zinc/10/59/15/132105915.db2.gz KDPNCTXUIOVSKO-CYBMUJFWSA-N -1 3 300.402 3.887 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2scnc2C2CC2)c1F ZINC000340638539 132118943 /nfs/dbraw/zinc/11/89/43/132118943.db2.gz NFKWEXSGVNIIPV-UHFFFAOYSA-N -1 3 324.352 3.950 20 0 DHADHM Cc1ncccc1CN[C@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000340672583 132140518 /nfs/dbraw/zinc/14/05/18/132140518.db2.gz BMGAXLLDSDNGIT-YLJYHZDGSA-N -1 3 324.424 3.603 20 0 DHADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1-c1ccccc1C ZINC000119994483 335065810 /nfs/dbraw/zinc/06/58/10/335065810.db2.gz ADFMCCCLXCMJAA-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1cc(Cl)ccc1Cl ZINC000417711778 335067522 /nfs/dbraw/zinc/06/75/22/335067522.db2.gz WFKJXXQZSTXKPP-ZDUSSCGKSA-N -1 3 302.201 3.726 20 0 DHADHM COc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)ccc1[O-] ZINC000442940804 338439909 /nfs/dbraw/zinc/43/99/09/338439909.db2.gz CVUDRFAICLRYBV-KRWDZBQOSA-N -1 3 323.392 3.693 20 0 DHADHM Cc1ccc(-c2nc(-c3nccc4ccccc43)no2)c([O-])c1 ZINC000320546916 335080285 /nfs/dbraw/zinc/08/02/85/335080285.db2.gz FEZVBORJGCNSRH-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM C[C@@H]1c2cccn2CCN1Cc1cc([O-])ccc1Br ZINC000179568079 331527747 /nfs/dbraw/zinc/52/77/47/331527747.db2.gz IXQYXBNXJGILIZ-LLVKDONJSA-N -1 3 321.218 3.533 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3F)no2)c(Cl)c1 ZINC000556345128 331672059 /nfs/dbraw/zinc/67/20/59/331672059.db2.gz NUGPBGHCJDFVRZ-UHFFFAOYSA-N -1 3 322.698 3.965 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccccc1OC(F)F ZINC000255504116 331759117 /nfs/dbraw/zinc/75/91/17/331759117.db2.gz ALDVXTWPRMNDKO-KTKRTIGZSA-N -1 3 319.307 3.954 20 0 DHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1ccsc1Cl ZINC000426767022 331777615 /nfs/dbraw/zinc/77/76/15/331777615.db2.gz JLTKJVKNBKGFKT-ZDUSSCGKSA-N -1 3 309.818 3.577 20 0 DHADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])n1cccc1 ZINC000517865834 331975050 /nfs/dbraw/zinc/97/50/50/331975050.db2.gz QJYNYEREIJDIEF-SNVBAGLBSA-N -1 3 323.190 3.546 20 0 DHADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc([O-])cc1F ZINC000126096891 331992786 /nfs/dbraw/zinc/99/27/86/331992786.db2.gz BTKBRTLPDOLMFY-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000089444714 332069014 /nfs/dbraw/zinc/06/90/14/332069014.db2.gz AMJAORIAWKPEGP-NXEZZACHSA-N -1 3 302.201 3.584 20 0 DHADHM Cc1c([O-])ccc2c(CSC3=N[C@@H](C)CS3)cc(=O)oc12 ZINC000089522205 332071403 /nfs/dbraw/zinc/07/14/03/332071403.db2.gz YLFSDFHQAVORPM-QMMMGPOBSA-N -1 3 321.423 3.532 20 0 DHADHM C[C@@H](CCNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000410217214 332100166 /nfs/dbraw/zinc/10/01/66/332100166.db2.gz GAMLUZDJCVNOFV-ZDUSSCGKSA-N -1 3 317.816 3.898 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000092517902 332132710 /nfs/dbraw/zinc/13/27/10/332132710.db2.gz CAUQPOFZYHOFSR-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM Cc1noc([N-]C(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C ZINC000410525800 332148874 /nfs/dbraw/zinc/14/88/74/332148874.db2.gz MYWANQUGWZXOKV-BYCMXARLSA-N -1 3 308.422 3.707 20 0 DHADHM CC(C)[C@@H](CC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000426809953 332152006 /nfs/dbraw/zinc/15/20/06/332152006.db2.gz GZMZQQDFCMHWII-OAHLLOKOSA-N -1 3 303.358 3.661 20 0 DHADHM CC(C)[C@H](CC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000426809952 332152102 /nfs/dbraw/zinc/15/21/02/332152102.db2.gz GZMZQQDFCMHWII-HNNXBMFYSA-N -1 3 303.358 3.661 20 0 DHADHM CCC[C@@H](C)C[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426794048 332154532 /nfs/dbraw/zinc/15/45/32/332154532.db2.gz QCNGWMCWTUAWDF-ZWNOBZJWSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3cccc(F)c3)ccc2n1 ZINC000426796265 332154779 /nfs/dbraw/zinc/15/47/79/332154779.db2.gz BJIGXZIXEZZUMZ-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM CC(C)(C)C[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426800374 332154967 /nfs/dbraw/zinc/15/49/67/332154967.db2.gz OHTORJXJMRVFSJ-NSHDSACASA-N -1 3 304.217 3.972 20 0 DHADHM CCc1ccc([C@H](NCc2cccc3[nH]ccc32)C(=O)[O-])cc1 ZINC000426802856 332155386 /nfs/dbraw/zinc/15/53/86/332155386.db2.gz YGIAMEYVZOXVQM-SFHVURJKSA-N -1 3 308.381 3.646 20 0 DHADHM Cc1cc([C@H](NCc2cccc(F)c2)C(=O)[O-])ccc1Cl ZINC000426826650 332155731 /nfs/dbraw/zinc/15/57/31/332155731.db2.gz FXZTVMCVNLGSFF-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CN[C@H](CC(=O)[O-])C(C)C ZINC000426833185 332156337 /nfs/dbraw/zinc/15/63/37/332156337.db2.gz LCKCVYNLQJYVQH-GFCCVEGCSA-N -1 3 320.216 3.591 20 0 DHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426812104 332157156 /nfs/dbraw/zinc/15/71/56/332157156.db2.gz PMOPOMBZHKPQAC-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM CCCSC[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426821815 332157846 /nfs/dbraw/zinc/15/78/46/332157846.db2.gz WXPWLZWLCOAYNI-LBPRGKRZSA-N -1 3 322.257 3.679 20 0 DHADHM CC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCC1 ZINC000427139172 332169796 /nfs/dbraw/zinc/16/97/96/332169796.db2.gz CSLURKVDKIIVFK-UHFFFAOYSA-N -1 3 309.822 3.712 20 0 DHADHM Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c([O-])c1 ZINC000533881537 332231984 /nfs/dbraw/zinc/23/19/84/332231984.db2.gz HXQBJBUEAASAPN-UHFFFAOYSA-N -1 3 318.376 3.990 20 0 DHADHM C[C@H](Oc1ccccc1[N-]S(=O)(=O)C1CC1)c1ccccc1 ZINC000115312699 332241095 /nfs/dbraw/zinc/24/10/95/332241095.db2.gz KUCHLYACSQTRKW-ZDUSSCGKSA-N -1 3 317.410 3.731 20 0 DHADHM CCC(CC)(NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000094242649 332273167 /nfs/dbraw/zinc/27/31/67/332273167.db2.gz RNUGQDWKJZLYJM-UHFFFAOYSA-N -1 3 310.444 3.605 20 0 DHADHM Cc1ccccc1O[C@@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000560024814 332302864 /nfs/dbraw/zinc/30/28/64/332302864.db2.gz NEYKPUYZPLYMRX-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000560250121 332323258 /nfs/dbraw/zinc/32/32/58/332323258.db2.gz YRBHENMLSYXHFB-ATZCPNFKSA-N -1 3 315.291 3.666 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2cc(Cl)ccc21 ZINC000560597615 332367352 /nfs/dbraw/zinc/36/73/52/332367352.db2.gz OHIUITVEVNYOSG-UHFFFAOYSA-N -1 3 308.164 3.902 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560611784 332368216 /nfs/dbraw/zinc/36/82/16/332368216.db2.gz IJMIAIFIBCBESL-HTQZYQBOSA-N -1 3 307.699 3.963 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000561157972 332418081 /nfs/dbraw/zinc/41/80/81/332418081.db2.gz GOASOELDMWRHSN-NHYWBVRUSA-N -1 3 316.426 3.572 20 0 DHADHM CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000561302207 332435442 /nfs/dbraw/zinc/43/54/42/332435442.db2.gz ZUZRTINOMPGIBD-DZGCQCFKSA-N -1 3 312.413 3.617 20 0 DHADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C(C)(C)O1 ZINC000408291830 332440859 /nfs/dbraw/zinc/44/08/59/332440859.db2.gz PVYQVYWSPGLZJJ-MRXNPFEDSA-N -1 3 313.397 3.621 20 0 DHADHM CCCCOc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448773125 332509825 /nfs/dbraw/zinc/50/98/25/332509825.db2.gz WDNDCAMVAFLIMQ-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(C)c(C)o3)n2)ccc1[O-] ZINC000562555055 332604386 /nfs/dbraw/zinc/60/43/86/332604386.db2.gz OOBIADRJYGCJLP-UHFFFAOYSA-N -1 3 300.314 3.718 20 0 DHADHM CCOc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1F ZINC000562580392 332606923 /nfs/dbraw/zinc/60/69/23/332606923.db2.gz OYWJSHPXDJBUJI-UHFFFAOYSA-N -1 3 302.280 3.679 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000562769061 332624162 /nfs/dbraw/zinc/62/41/62/332624162.db2.gz IGKHMFIBSZNQSB-UHFFFAOYSA-N -1 3 313.401 3.734 20 0 DHADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000569760768 332676900 /nfs/dbraw/zinc/67/69/00/332676900.db2.gz SNURUAQMNJAOON-SNVBAGLBSA-N -1 3 315.335 3.967 20 0 DHADHM CCC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCC1 ZINC000188017259 333012793 /nfs/dbraw/zinc/01/27/93/333012793.db2.gz TYGNNKSAMPVNFG-UHFFFAOYSA-N -1 3 323.392 3.686 20 0 DHADHM Cc1n[nH]c(C)c1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179436300 333025366 /nfs/dbraw/zinc/02/53/66/333025366.db2.gz ZMKXPQDIDAUWAQ-UHFFFAOYSA-N -1 3 323.352 3.777 20 0 DHADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(F)ccc1[O-] ZINC000531157469 333035510 /nfs/dbraw/zinc/03/55/10/333035510.db2.gz SBGUHVDYWJNTHD-HNNXBMFYSA-N -1 3 303.333 3.636 20 0 DHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(F)ccc1[O-] ZINC000531157476 333035512 /nfs/dbraw/zinc/03/55/12/333035512.db2.gz SBGUHVDYWJNTHD-OAHLLOKOSA-N -1 3 303.333 3.636 20 0 DHADHM Cc1c(Br)cccc1NC(=O)c1cccc([O-])c1 ZINC000182304046 333038200 /nfs/dbraw/zinc/03/82/00/333038200.db2.gz AYVFCVPAKNUEFJ-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188406569 333045801 /nfs/dbraw/zinc/04/58/01/333045801.db2.gz IWRZXDCPXDWXBF-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM CC[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000580319444 333146619 /nfs/dbraw/zinc/14/66/19/333146619.db2.gz LUTIJFVFVTXEED-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM CCCOc1cc(C)ccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181901603 333146940 /nfs/dbraw/zinc/14/69/40/333146940.db2.gz GYFYDJZWMNUASB-FNORWQNLSA-N -1 3 312.369 3.536 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000179543388 333152382 /nfs/dbraw/zinc/15/23/82/333152382.db2.gz MJVMHNNRBOPATA-SWLSCSKDSA-N -1 3 324.380 3.547 20 0 DHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(Cl)c1F ZINC000228246954 333168356 /nfs/dbraw/zinc/16/83/56/333168356.db2.gz QEDNRVJVCJYWDL-WDEREUQCSA-N -1 3 301.789 3.848 20 0 DHADHM CCCCC1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000497790290 333291338 /nfs/dbraw/zinc/29/13/38/333291338.db2.gz MRSLVXQZOXONNM-UHFFFAOYSA-N -1 3 318.343 3.759 20 0 DHADHM CCCCC1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000497790290 333291339 /nfs/dbraw/zinc/29/13/39/333291339.db2.gz MRSLVXQZOXONNM-UHFFFAOYSA-N -1 3 318.343 3.759 20 0 DHADHM Cc1cccc([C@H](NC(=O)Cc2cncc([O-])c2)C(C)(C)C)c1 ZINC000518794402 333361186 /nfs/dbraw/zinc/36/11/86/333361186.db2.gz CPIYVDLVJOFIAO-SFHVURJKSA-N -1 3 312.413 3.542 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1 ZINC000583472533 333361232 /nfs/dbraw/zinc/36/12/32/333361232.db2.gz NJCQFHZRVARYRO-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM O=C(NCCCc1ccccc1)c1cc([O-])ccc1C(F)(F)F ZINC000188801943 333381619 /nfs/dbraw/zinc/38/16/19/333381619.db2.gz GYBWUYXFKISAAR-UHFFFAOYSA-N -1 3 323.314 3.774 20 0 DHADHM O=C([O-])c1ccccc1CCNCc1c(F)cccc1Cl ZINC000228493285 333387214 /nfs/dbraw/zinc/38/72/14/333387214.db2.gz SKLFRNZXILMRKF-UHFFFAOYSA-N -1 3 307.752 3.510 20 0 DHADHM C[C@@H]1CC[C@@](CNCc2cc(Cl)ccc2F)(CC(=O)[O-])C1 ZINC000426636596 333511758 /nfs/dbraw/zinc/51/17/58/333511758.db2.gz HIFLDRWYCUZYDT-BZNIZROVSA-N -1 3 313.800 3.850 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)cc1[O-] ZINC000412319273 333746986 /nfs/dbraw/zinc/74/69/86/333746986.db2.gz SQLBDYJZZDRRIQ-WKILWMFISA-N -1 3 323.392 3.579 20 0 DHADHM Cc1ccc(C(=O)N2CCSC3(CCC3)CC2)c([O-])c1C ZINC000412453801 333757900 /nfs/dbraw/zinc/75/79/00/333757900.db2.gz PFNXNOGFNLSAEU-UHFFFAOYSA-N -1 3 305.443 3.511 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CCC[C@H]1C1CC1 ZINC000412461805 333758510 /nfs/dbraw/zinc/75/85/10/333758510.db2.gz GZYRFSRIMRQNLL-HIFRSBDPSA-N -1 3 307.821 3.531 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1 ZINC000436818365 334002326 /nfs/dbraw/zinc/00/23/26/334002326.db2.gz KPDVEJBTACRBDW-HNNXBMFYSA-N -1 3 301.411 3.993 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@@](C)(CC)C2)c([O-])c1 ZINC000436991479 334024189 /nfs/dbraw/zinc/02/41/89/334024189.db2.gz YGNOPISLNFHZBS-GOSISDBHSA-N -1 3 305.418 3.833 20 0 DHADHM CCOCc1nnc([N-]Cc2ccc(-c3ccccc3F)o2)o1 ZINC000272199525 334031770 /nfs/dbraw/zinc/03/17/70/334031770.db2.gz HIYXSCVAECHCHX-UHFFFAOYSA-N -1 3 317.320 3.617 20 0 DHADHM Cc1cc(Br)c(CNCCCCCC(=O)[O-])s1 ZINC000414681513 334067838 /nfs/dbraw/zinc/06/78/38/334067838.db2.gz MLSJTXPIDRPNJQ-UHFFFAOYSA-N -1 3 320.252 3.554 20 0 DHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000278888464 334103020 /nfs/dbraw/zinc/10/30/20/334103020.db2.gz OLLVDMHYXODQRM-HNNXBMFYSA-N -1 3 304.777 3.664 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1F ZINC000293742771 334201682 /nfs/dbraw/zinc/20/16/82/334201682.db2.gz XKEZLYJEZVDOKI-SUMWQHHRSA-N -1 3 319.351 3.680 20 0 DHADHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000049078743 334316059 /nfs/dbraw/zinc/31/60/59/334316059.db2.gz IDIMCNFCYYLCOQ-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM COc1ccc(F)cc1C(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000534800981 334337417 /nfs/dbraw/zinc/33/74/17/334337417.db2.gz QGSCPVSWSZSDAT-UHFFFAOYSA-N -1 3 323.270 3.567 20 0 DHADHM O=C(Nc1ccccc1[O-])c1c2c(nc3ccccc31)CCC2 ZINC000111916370 334360923 /nfs/dbraw/zinc/36/09/23/334360923.db2.gz QVBDNFYQBDDTHA-UHFFFAOYSA-N -1 3 304.349 3.681 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535138560 334374558 /nfs/dbraw/zinc/37/45/58/334374558.db2.gz RDDBTKAIDYHELX-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000341169025 334415165 /nfs/dbraw/zinc/41/51/65/334415165.db2.gz HJDAPLASAJHWJU-GHMZBOCLSA-N -1 3 303.362 3.535 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1cc(-c2ccc(F)cc2)on1 ZINC000341612612 334461851 /nfs/dbraw/zinc/46/18/51/334461851.db2.gz JMHZLQCRGVMUQX-UHFFFAOYSA-N -1 3 323.283 3.874 20 0 DHADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341734417 334474156 /nfs/dbraw/zinc/47/41/56/334474156.db2.gz GHEPGWCHKHIVDL-INIZCTEOSA-N -1 3 318.804 3.752 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(c2c(Cl)cccc2Cl)CC1 ZINC000341884800 334489707 /nfs/dbraw/zinc/48/97/07/334489707.db2.gz HSYKBQQVEDBZRS-UHFFFAOYSA-N -1 3 323.179 3.764 20 0 DHADHM CCc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)ccc1[O-] ZINC000342348836 334529942 /nfs/dbraw/zinc/52/99/42/334529942.db2.gz TUJMNJSAZSRZRP-MRXNPFEDSA-N -1 3 311.381 3.598 20 0 DHADHM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cc([O-])ccc1Cl ZINC000342701792 334562866 /nfs/dbraw/zinc/56/28/66/334562866.db2.gz BFENNQRCGFICIE-UHFFFAOYSA-N -1 3 322.151 3.828 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(C)s1 ZINC000342655101 334563742 /nfs/dbraw/zinc/56/37/42/334563742.db2.gz ZJIMIMCDFMOINZ-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416283580 334659808 /nfs/dbraw/zinc/65/98/08/334659808.db2.gz FZMMDMGRMIPAIT-ZFWWWQNUSA-N -1 3 307.409 3.747 20 0 DHADHM CSc1cccc(C)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417029538 334689323 /nfs/dbraw/zinc/68/93/23/334689323.db2.gz NNPCFEZGCPMLLM-UHFFFAOYSA-N -1 3 301.415 3.702 20 0 DHADHM CO[C@](C)(C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000535419699 334731041 /nfs/dbraw/zinc/73/10/41/334731041.db2.gz IJLRMTKDBPIYTL-KRWDZBQOSA-N -1 3 319.788 3.854 20 0 DHADHM COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000331303444 334856030 /nfs/dbraw/zinc/85/60/30/334856030.db2.gz XTRFYXPKDHQBEP-WDEREUQCSA-N -1 3 317.307 3.708 20 0 DHADHM CCCCOc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000076273387 334916267 /nfs/dbraw/zinc/91/62/67/334916267.db2.gz GITKJZFYBGEGFY-UHFFFAOYSA-N -1 3 313.397 3.854 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccncc1 ZINC000344183741 335228208 /nfs/dbraw/zinc/22/82/08/335228208.db2.gz SSOQXCDAZXYQLH-OAHLLOKOSA-N -1 3 304.777 3.819 20 0 DHADHM Cc1ncc(CNCc2ccc(-c3ccccc3)s2)c(=O)[n-]1 ZINC000344349328 335243494 /nfs/dbraw/zinc/24/34/94/335243494.db2.gz HCTZPWGPQZQYMY-UHFFFAOYSA-N -1 3 311.410 3.509 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000344365796 335244838 /nfs/dbraw/zinc/24/48/38/335244838.db2.gz FSVDBBBKMOPXTB-HNNXBMFYSA-N -1 3 317.820 3.735 20 0 DHADHM C[C@H](CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000457656821 335295364 /nfs/dbraw/zinc/29/53/64/335295364.db2.gz CZDWKWSUFSXBOG-ZCFIWIBFSA-N -1 3 315.213 3.938 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CCc2cccc(C(F)(F)F)c2)n1 ZINC000345420549 335324982 /nfs/dbraw/zinc/32/49/82/335324982.db2.gz WSEPPLWJEZYUJE-UHFFFAOYSA-N -1 3 324.302 3.686 20 0 DHADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cccc([O-])c2)c1 ZINC000345429739 335325677 /nfs/dbraw/zinc/32/56/77/335325677.db2.gz RNYNEQWXDWWLQS-UGSOOPFHSA-N -1 3 311.381 3.624 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccc(-c3ccccn3)c2C)n1 ZINC000345933548 335362093 /nfs/dbraw/zinc/36/20/93/335362093.db2.gz STFDTYXBFOHERJ-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cnc2c(F)ccc(F)c2c1 ZINC000345936014 335362224 /nfs/dbraw/zinc/36/22/24/335362224.db2.gz AVTOQADJCADQEI-UHFFFAOYSA-N -1 3 318.254 3.610 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3)o2)n1 ZINC000345973954 335365257 /nfs/dbraw/zinc/36/52/57/335365257.db2.gz FEKWKJBMQYJDHG-UHFFFAOYSA-N -1 3 310.309 3.733 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000345973888 335365274 /nfs/dbraw/zinc/36/52/74/335365274.db2.gz DZRRQUVHTDZSAK-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000345922742 335365719 /nfs/dbraw/zinc/36/57/19/335365719.db2.gz GBHOCZQRUWCBSY-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(SC(C)C)cc2)n1 ZINC000345921822 335365762 /nfs/dbraw/zinc/36/57/62/335365762.db2.gz FBMPDVHVSJKROG-UHFFFAOYSA-N -1 3 302.399 3.848 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000345975332 335366886 /nfs/dbraw/zinc/36/68/86/335366886.db2.gz GBMIXSPSWITFLJ-LBPRGKRZSA-N -1 3 324.302 3.770 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000345985935 335367868 /nfs/dbraw/zinc/36/78/68/335367868.db2.gz NUSIERNESPMBLR-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM CCc1cc2c([n-]c(Cn3c(C)nc4ccccc43)nc2=O)s1 ZINC000349001392 335627719 /nfs/dbraw/zinc/62/77/19/335627719.db2.gz GRDBKPFHRNZUJC-UHFFFAOYSA-N -1 3 324.409 3.666 20 0 DHADHM COc1cc(C)cc(C(=O)N2CC[C@H](C)c3ccccc32)c1[O-] ZINC000094017525 335699403 /nfs/dbraw/zinc/69/94/03/335699403.db2.gz WXAOAUXSWDTLQY-ZDUSSCGKSA-N -1 3 311.381 3.863 20 0 DHADHM COc1ccc2c(c1NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000349797663 335701031 /nfs/dbraw/zinc/70/10/31/335701031.db2.gz AGEGRRAUAPMXJW-UHFFFAOYSA-N -1 3 317.772 3.795 20 0 DHADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000350000502 335717009 /nfs/dbraw/zinc/71/70/09/335717009.db2.gz CAMLASTWMGWPPQ-CQSZACIVSA-N -1 3 318.442 3.641 20 0 DHADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](c2ccccc2)O1 ZINC000350698319 335773188 /nfs/dbraw/zinc/77/31/88/335773188.db2.gz CVPKNCCGDAWZRS-YVEFUNNKSA-N -1 3 319.351 3.632 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1(C)C ZINC000350738791 335778507 /nfs/dbraw/zinc/77/85/07/335778507.db2.gz ZZQNBMRWHBHFFP-ZDUSSCGKSA-N -1 3 315.335 3.918 20 0 DHADHM O=C([N-]c1ncc(-c2ccccc2)s1)c1ncc(F)cc1F ZINC000192170189 336017657 /nfs/dbraw/zinc/01/76/57/336017657.db2.gz JGPKIIUFGWCODP-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CCCC1CCC(N(C)C(=O)c2cccc(OC)c2[O-])CC1 ZINC000192272494 336024437 /nfs/dbraw/zinc/02/44/37/336024437.db2.gz LGZWMJJMPPDNQK-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM COc1ccc(OC(F)F)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000192511186 336040412 /nfs/dbraw/zinc/04/04/12/336040412.db2.gz JDCNWRVLIHMJRC-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CCc1cc(NC(=O)c2c[n-]nc2-c2ccncc2)ccc1C ZINC000351596116 336048178 /nfs/dbraw/zinc/04/81/78/336048178.db2.gz SLGWWEALKVGWJO-UHFFFAOYSA-N -1 3 306.369 3.595 20 0 DHADHM CCc1cc(NC(=O)c2cn[n-]c2-c2ccncc2)ccc1C ZINC000351596116 336048179 /nfs/dbraw/zinc/04/81/79/336048179.db2.gz SLGWWEALKVGWJO-UHFFFAOYSA-N -1 3 306.369 3.595 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)cc1Cl ZINC000351703777 336060137 /nfs/dbraw/zinc/06/01/37/336060137.db2.gz RESGDSWBHCFKLL-MRVPVSSYSA-N -1 3 320.197 3.626 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)c(F)cc2Cl)n1 ZINC000351774651 336068330 /nfs/dbraw/zinc/06/83/30/336068330.db2.gz NFLKNLLQPJNRCE-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC000331994121 336155399 /nfs/dbraw/zinc/15/53/99/336155399.db2.gz UWGCVPOWTMJBPP-QGZVFWFLSA-N -1 3 310.397 3.888 20 0 DHADHM C[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000332130646 336159605 /nfs/dbraw/zinc/15/96/05/336159605.db2.gz JKISGHDEDZBGAD-ZIAGYGMSSA-N -1 3 310.397 3.821 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c2c([O-])cccc21 ZINC000332213225 336163057 /nfs/dbraw/zinc/16/30/57/336163057.db2.gz JKRRWZVTHQYRBK-UPJWGTAASA-N -1 3 316.401 3.574 20 0 DHADHM C[C@@H]1CCc2nc(NC(=O)c3cc([O-])ccc3Cl)sc2C1 ZINC000332210345 336163225 /nfs/dbraw/zinc/16/32/25/336163225.db2.gz JMAXQSDKSAROFK-MRVPVSSYSA-N -1 3 322.817 3.879 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(C)=C(c3ccco3)C2)c1 ZINC000332385783 336170575 /nfs/dbraw/zinc/17/05/75/336170575.db2.gz ZRVTVHVYMOSALW-UHFFFAOYSA-N -1 3 311.381 3.867 20 0 DHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332424002 336171569 /nfs/dbraw/zinc/17/15/69/336171569.db2.gz AXRURIKVZKXLEG-GOSISDBHSA-N -1 3 324.424 3.889 20 0 DHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c[n-]c2ccccc2c1=O ZINC000332794400 336184950 /nfs/dbraw/zinc/18/49/50/336184950.db2.gz HNTXWHWRJZDIRD-RRFJBIMHSA-N -1 3 324.424 3.617 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000351988397 336186175 /nfs/dbraw/zinc/18/61/75/336186175.db2.gz GRMXNUJQERHHBN-UHFFFAOYSA-N -1 3 301.361 3.617 20 0 DHADHM O=c1cc(C=Cc2c[nH]c(-c3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000352005375 336188092 /nfs/dbraw/zinc/18/80/92/336188092.db2.gz DGJUVBFZEUSUTE-CMDGGOBGSA-N -1 3 304.353 3.620 20 0 DHADHM O=c1cc(C=Cc2cnc(-c3ccccn3)s2)nc(C2CC2)[n-]1 ZINC000352022526 336189606 /nfs/dbraw/zinc/18/96/06/336189606.db2.gz YTKGZQUZPZUEOH-VOTSOKGWSA-N -1 3 322.393 3.749 20 0 DHADHM O=C(NCc1c(F)cccc1Cl)c1cc([O-])ccc1Cl ZINC000352176177 336199201 /nfs/dbraw/zinc/19/92/01/336199201.db2.gz LMVYIUKCYBEFEB-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM CCCOc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000352230861 336204459 /nfs/dbraw/zinc/20/44/59/336204459.db2.gz MOGPYQLCEMMKHC-UHFFFAOYSA-N -1 3 322.368 3.513 20 0 DHADHM CCCOc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000352230861 336204460 /nfs/dbraw/zinc/20/44/60/336204460.db2.gz MOGPYQLCEMMKHC-UHFFFAOYSA-N -1 3 322.368 3.513 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c2c([O-])cccc21 ZINC000334117919 336218900 /nfs/dbraw/zinc/21/89/00/336218900.db2.gz ITPOPBQSTXBQPR-OAUYIBNBSA-N -1 3 323.392 3.742 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ncoc2-c2ccccc2)c1F ZINC000352671309 336229641 /nfs/dbraw/zinc/22/96/41/336229641.db2.gz IIWUCGKYCXXAFF-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM O=C(Nc1csc2ccccc12)c1c[n-]nc1-c1ccncc1 ZINC000352715505 336231905 /nfs/dbraw/zinc/23/19/05/336231905.db2.gz YPTLWSQWKWJGEF-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM O=C(Nc1csc2ccccc12)c1cn[n-]c1-c1ccncc1 ZINC000352715505 336231906 /nfs/dbraw/zinc/23/19/06/336231906.db2.gz YPTLWSQWKWJGEF-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000324847166 336263966 /nfs/dbraw/zinc/26/39/66/336263966.db2.gz XVIRBPIZBORRHX-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C2 ZINC000532837942 336272608 /nfs/dbraw/zinc/27/26/08/336272608.db2.gz TZPXIIHWGTYMQK-MRXNPFEDSA-N -1 3 317.772 3.605 20 0 DHADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532838683 336272723 /nfs/dbraw/zinc/27/27/23/336272723.db2.gz ULZWSAUXMLPNBX-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1cccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1[O-] ZINC000192931963 336284948 /nfs/dbraw/zinc/28/49/48/336284948.db2.gz SEWRLVYQODXSCK-QGZVFWFLSA-N -1 3 312.413 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@@H]3C)nc2)n1 ZINC000301172295 336293233 /nfs/dbraw/zinc/29/32/33/336293233.db2.gz KIPMMWVRMYRJHD-SWLSCSKDSA-N -1 3 312.417 3.797 20 0 DHADHM Clc1cc(Cl)cc(-c2noc([N-][C@@H]3CCCOC3)n2)c1 ZINC000301496642 336310383 /nfs/dbraw/zinc/31/03/83/336310383.db2.gz BIZFRZGIOUIPBY-LLVKDONJSA-N -1 3 314.172 3.634 20 0 DHADHM Clc1ccc(-c2cn3nc([N-]c4cn[nH]c4)sc3n2)cc1 ZINC000302546369 336361346 /nfs/dbraw/zinc/36/13/46/336361346.db2.gz UUJHLCBDLBSXES-UHFFFAOYSA-N -1 3 316.777 3.578 20 0 DHADHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000303123922 336382369 /nfs/dbraw/zinc/38/23/69/336382369.db2.gz ASYYHHFHJZRSFW-OAHLLOKOSA-N -1 3 321.417 3.515 20 0 DHADHM O=C([N-]c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)o2)no1 ZINC000514651131 336391301 /nfs/dbraw/zinc/39/13/01/336391301.db2.gz PJPTUSZTKOENOZ-UHFFFAOYSA-N -1 3 324.123 3.889 20 0 DHADHM COc1cc2c(cc1F)CC[C@@H]2NCc1c(F)ccc([O-])c1F ZINC000353360076 336413334 /nfs/dbraw/zinc/41/33/34/336413334.db2.gz FOXGYFWYQVAPTN-AWEZNQCLSA-N -1 3 323.314 3.595 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CC[C@H](c3ccccc3)O2)c1F ZINC000353548888 336424261 /nfs/dbraw/zinc/42/42/61/336424261.db2.gz HYMBZKYWECJAOW-SUMWQHHRSA-N -1 3 319.351 3.680 20 0 DHADHM CCCc1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000354984241 336490053 /nfs/dbraw/zinc/49/00/53/336490053.db2.gz VTYAWOVIFUIEKJ-UHFFFAOYSA-N -1 3 305.334 3.628 20 0 DHADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000355061586 336493594 /nfs/dbraw/zinc/49/35/94/336493594.db2.gz VPXXISHIPRXJBE-YJBOKZPZSA-N -1 3 315.800 3.969 20 0 DHADHM CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc([O-])c1 ZINC000357196414 336576723 /nfs/dbraw/zinc/57/67/23/336576723.db2.gz YVLGQWIPFBAWOR-UHFFFAOYSA-N -1 3 319.788 3.587 20 0 DHADHM Cc1cccc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000357209994 336576984 /nfs/dbraw/zinc/57/69/84/336576984.db2.gz YPWURBZLLFJHDU-UHFFFAOYSA-N -1 3 303.789 3.555 20 0 DHADHM C[C@H]1c2ccccc2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357314881 336580312 /nfs/dbraw/zinc/58/03/12/336580312.db2.gz ZYWXSVAIZNFOKG-NSHDSACASA-N -1 3 301.773 3.692 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000357314062 336580319 /nfs/dbraw/zinc/58/03/19/336580319.db2.gz YIDZFMNYLPHLBT-UHFFFAOYSA-N -1 3 311.356 3.851 20 0 DHADHM Cn1cc(/C=C/c2ccc3cccc([O-])c3n2)c(C(F)F)n1 ZINC000359170083 336661101 /nfs/dbraw/zinc/66/11/01/336661101.db2.gz CLWXBZRVELUEOO-SOFGYWHQSA-N -1 3 301.296 3.782 20 0 DHADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CCC(F)(F)CC1 ZINC000360583244 336715283 /nfs/dbraw/zinc/71/52/83/336715283.db2.gz VVGDAVCBRDDWKE-UHFFFAOYSA-N -1 3 317.763 3.624 20 0 DHADHM CCc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1[O-] ZINC000370683825 336891073 /nfs/dbraw/zinc/89/10/73/336891073.db2.gz WPKANJBTMSTUES-UHFFFAOYSA-N -1 3 323.392 3.590 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000371315532 336900120 /nfs/dbraw/zinc/90/01/20/336900120.db2.gz SXAKTXZTQIFFTM-UHFFFAOYSA-N -1 3 318.461 3.655 20 0 DHADHM O=C(N[C@@H]1CCCOc2ccccc21)c1cc([O-])ccc1Cl ZINC000375427476 337011128 /nfs/dbraw/zinc/01/11/28/337011128.db2.gz QEYMPQBVMDUFJM-OAHLLOKOSA-N -1 3 317.772 3.689 20 0 DHADHM Cc1cccc([O-])c1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000376616722 337038205 /nfs/dbraw/zinc/03/82/05/337038205.db2.gz ZHNROLNJSMJEGZ-UHFFFAOYSA-N -1 3 311.381 3.635 20 0 DHADHM COCc1c(C(=O)[N-]c2nocc2C)sc2cccc(F)c21 ZINC000123419984 337048039 /nfs/dbraw/zinc/04/80/39/337048039.db2.gz MMLWGMQDLIIGMB-UHFFFAOYSA-N -1 3 320.345 3.736 20 0 DHADHM C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000377942103 337064262 /nfs/dbraw/zinc/06/42/62/337064262.db2.gz MSNBKFCBFMTKAL-MGPLVRAMSA-N -1 3 321.829 3.815 20 0 DHADHM COC(=O)c1cnc(SCc2cc(Cl)ccc2Cl)[n-]1 ZINC000193539799 337077888 /nfs/dbraw/zinc/07/78/88/337077888.db2.gz JWMPWIGOLABEHA-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000522815792 337078203 /nfs/dbraw/zinc/07/82/03/337078203.db2.gz HASDQNXZDCPCBG-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM COC(=O)c1cnc(S[C@H](C)c2cccc(Cl)c2F)[n-]1 ZINC000193553393 337078383 /nfs/dbraw/zinc/07/83/83/337078383.db2.gz OWJFMMQWJCCKFW-SSDOTTSWSA-N -1 3 314.769 3.842 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)c(O)c(C)c2)CC)n1 ZINC000193617317 337078719 /nfs/dbraw/zinc/07/87/19/337078719.db2.gz KARSNYXEUWUMMD-GDNBJRDFSA-N -1 3 312.413 3.995 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000426758530 337083184 /nfs/dbraw/zinc/08/31/84/337083184.db2.gz SNLWJXJNCKKVSI-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc(F)c2)cc1 ZINC000426760797 337087189 /nfs/dbraw/zinc/08/71/89/337087189.db2.gz UXSVQRCDIZOHAT-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM O=C(Nc1ccc2ncccc2c1)c1c[n-]nc1-c1ccccc1 ZINC000173534818 337136242 /nfs/dbraw/zinc/13/62/42/337136242.db2.gz HAILSMKJBSKWPV-UHFFFAOYSA-N -1 3 314.348 3.877 20 0 DHADHM Cc1ncccc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000175192853 337146032 /nfs/dbraw/zinc/14/60/32/337146032.db2.gz PASWBYUDYQAFTB-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM CSc1ccc(C(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC000175862546 337148666 /nfs/dbraw/zinc/14/86/66/337148666.db2.gz VTJUFBNOGGIUBD-UHFFFAOYSA-N -1 3 300.339 3.909 20 0 DHADHM C[C@@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1cc2ccccc2o1 ZINC000176284430 337150706 /nfs/dbraw/zinc/15/07/06/337150706.db2.gz LPNGPDCDWRNRSW-SNVBAGLBSA-N -1 3 322.324 3.553 20 0 DHADHM C[C@@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1cc2ccccc2o1 ZINC000176284430 337150707 /nfs/dbraw/zinc/15/07/07/337150707.db2.gz LPNGPDCDWRNRSW-SNVBAGLBSA-N -1 3 322.324 3.553 20 0 DHADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2o1 ZINC000176284430 337150708 /nfs/dbraw/zinc/15/07/08/337150708.db2.gz LPNGPDCDWRNRSW-SNVBAGLBSA-N -1 3 322.324 3.553 20 0 DHADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C(C)C)c1)C(F)(F)F ZINC000547818938 337151949 /nfs/dbraw/zinc/15/19/49/337151949.db2.gz XZCVLXGIFIUVRV-CYBMUJFWSA-N -1 3 323.380 3.819 20 0 DHADHM Cc1cc(Cl)c(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1C ZINC000181926094 337185331 /nfs/dbraw/zinc/18/53/31/337185331.db2.gz DUKFFBOWSUMRFF-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1cc(Cl)c(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1C ZINC000181926094 337185332 /nfs/dbraw/zinc/18/53/32/337185332.db2.gz DUKFFBOWSUMRFF-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1cc(Cl)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1C ZINC000181926094 337185333 /nfs/dbraw/zinc/18/53/33/337185333.db2.gz DUKFFBOWSUMRFF-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)c(C)s1 ZINC000182139129 337186777 /nfs/dbraw/zinc/18/67/77/337186777.db2.gz HKXOCFIZIHYVBK-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM C[C@H](c1cccc(O)c1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000182612032 337189137 /nfs/dbraw/zinc/18/91/37/337189137.db2.gz VWJLHQNGSZBMHK-LLVKDONJSA-N -1 3 319.788 3.513 20 0 DHADHM CC[C@H](NCc1cccc([O-])c1Br)c1ccncc1 ZINC000459427049 337191042 /nfs/dbraw/zinc/19/10/42/337191042.db2.gz JKTKUAMZLPOIGL-ZDUSSCGKSA-N -1 3 321.218 3.791 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cnc(-c2ccsc2)s1 ZINC000183240853 337192437 /nfs/dbraw/zinc/19/24/37/337192437.db2.gz CCAFUVFRASUDBB-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1SCCc2sccc21 ZINC000183237584 337192494 /nfs/dbraw/zinc/19/24/94/337192494.db2.gz UEEYUROVPZMNRF-ZDUSSCGKSA-N -1 3 309.387 3.562 20 0 DHADHM O=[S@@](Cc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1 ZINC000184077047 337196039 /nfs/dbraw/zinc/19/60/39/337196039.db2.gz PBSPLEXOOBMUBB-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM CCOc1cc(CN2CCSC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000459512070 337202672 /nfs/dbraw/zinc/20/26/72/337202672.db2.gz QRONDCRCCPYGLB-NSHDSACASA-N -1 3 315.866 3.629 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2nccs2)c2ccccc2)c1 ZINC000185499919 337205857 /nfs/dbraw/zinc/20/58/57/337205857.db2.gz OXJKOHLGFSMHEO-MRXNPFEDSA-N -1 3 314.385 3.867 20 0 DHADHM COc1ccccc1C[C@@H](C)N(C)Cc1csc(C(=O)[O-])c1 ZINC000583147346 337246052 /nfs/dbraw/zinc/24/60/52/337246052.db2.gz MTUBXCDJLVTPGP-GFCCVEGCSA-N -1 3 319.426 3.518 20 0 DHADHM CCc1csc([C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000186206212 337254735 /nfs/dbraw/zinc/25/47/35/337254735.db2.gz GVMBYMNPNFGULK-CYBMUJFWSA-N -1 3 320.433 3.930 20 0 DHADHM Cc1cnc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)s1 ZINC000583185607 337260932 /nfs/dbraw/zinc/26/09/32/337260932.db2.gz FLXNZTXNTCRYRF-UHFFFAOYSA-N -1 3 313.382 3.753 20 0 DHADHM Cc1ccc(O)c(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189208354 337277428 /nfs/dbraw/zinc/27/74/28/337277428.db2.gz IQBUIWMHXLHJNT-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H]3CCc4ccccc43)no2)c1 ZINC000321757571 337288647 /nfs/dbraw/zinc/28/86/47/337288647.db2.gz CCQLOZPEDCGBBD-CQSZACIVSA-N -1 3 308.337 3.529 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccoc1Br ZINC000193320491 337309792 /nfs/dbraw/zinc/30/97/92/337309792.db2.gz XAAUASTYYSJFBL-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000584530264 337356779 /nfs/dbraw/zinc/35/67/79/337356779.db2.gz SZZIAHMVTGZTJX-CABCVRRESA-N -1 3 316.426 3.543 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c1[O-] ZINC000108984486 337388138 /nfs/dbraw/zinc/38/81/38/337388138.db2.gz KZCJMYLSCPGGED-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM Cc1nc([C@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)n[nH]1 ZINC000114449291 337391561 /nfs/dbraw/zinc/39/15/61/337391561.db2.gz OGZFEBCCEBFFSE-OAHLLOKOSA-N -1 3 323.331 3.595 20 0 DHADHM Cc1nnc([C@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)[nH]1 ZINC000114449291 337391562 /nfs/dbraw/zinc/39/15/62/337391562.db2.gz OGZFEBCCEBFFSE-OAHLLOKOSA-N -1 3 323.331 3.595 20 0 DHADHM CCOCc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000130105456 337431995 /nfs/dbraw/zinc/43/19/95/337431995.db2.gz MSAHGYYLOZVXCA-UHFFFAOYSA-N -1 3 319.788 3.763 20 0 DHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Cl)s1 ZINC000048506646 337433986 /nfs/dbraw/zinc/43/39/86/337433986.db2.gz MNZDGPNNRKBITE-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC1CC(c2ccccc2)C1 ZINC000132365217 337442071 /nfs/dbraw/zinc/44/20/71/337442071.db2.gz POMLUBBVVMAIHN-UHFFFAOYSA-N -1 3 315.800 3.651 20 0 DHADHM CC(=O)c1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419522057 337486724 /nfs/dbraw/zinc/48/67/24/337486724.db2.gz PBDCYRALDRMTSW-UHFFFAOYSA-N -1 3 314.410 3.696 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(F)c1 ZINC000161885706 337599032 /nfs/dbraw/zinc/59/90/32/337599032.db2.gz KWTIAPFGKMXCPN-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM CC(C)(CCNCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000263051826 337623681 /nfs/dbraw/zinc/62/36/81/337623681.db2.gz KVXBGWAPANQVSK-UHFFFAOYSA-N -1 3 321.751 3.532 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccccc2SC)c1[O-] ZINC000527187242 337736077 /nfs/dbraw/zinc/73/60/77/337736077.db2.gz XXUHYAAWGWBJCF-UHFFFAOYSA-N -1 3 315.438 3.949 20 0 DHADHM O=c1[n-]nc(Nc2ccc3c(c2)CCC2(CCC2)O3)cc1Cl ZINC000528114254 337788777 /nfs/dbraw/zinc/78/87/77/337788777.db2.gz KCTGKFUVKKIALR-UHFFFAOYSA-N -1 3 317.776 3.827 20 0 DHADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1c1cc(Cl)c(=O)[n-]n1 ZINC000528210630 337794048 /nfs/dbraw/zinc/79/40/48/337794048.db2.gz CUNRAPWYSOHGEP-GFCCVEGCSA-N -1 3 321.783 3.747 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=C(C)CCC3)c2)n1 ZINC000533327544 337841533 /nfs/dbraw/zinc/84/15/33/337841533.db2.gz SZPJKYPDBJTJSH-UHFFFAOYSA-N -1 3 323.396 3.851 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1sccc1Br ZINC000085203884 337847143 /nfs/dbraw/zinc/84/71/43/337847143.db2.gz MIQJOEGQMHEHSA-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000119482511 337861004 /nfs/dbraw/zinc/86/10/04/337861004.db2.gz CCNHXBGTQHYVKS-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000119482370 337861031 /nfs/dbraw/zinc/86/10/31/337861031.db2.gz CCNHXBGTQHYVKS-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000119485526 337861091 /nfs/dbraw/zinc/86/10/91/337861091.db2.gz GJRVJZMTAHSZKG-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM O=C(CCOc1ccccc1F)Nc1cc(Cl)ccc1[O-] ZINC000120960596 337882613 /nfs/dbraw/zinc/88/26/13/337882613.db2.gz FUJDZOCLZOTBPR-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000424621025 337925163 /nfs/dbraw/zinc/92/51/63/337925163.db2.gz NJVSCMJITHDXOY-TVQRCGJNSA-N -1 3 304.217 3.828 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000424623748 337925832 /nfs/dbraw/zinc/92/58/32/337925832.db2.gz QAFWARZQZDWDJF-RNCFNFMXSA-N -1 3 321.314 3.679 20 0 DHADHM CC(C)c1csc2[n-]c(Cn3cnc4ccccc43)nc(=O)c12 ZINC000122891036 337926472 /nfs/dbraw/zinc/92/64/72/337926472.db2.gz PNOCYOXFTVFMCW-UHFFFAOYSA-N -1 3 324.409 3.506 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c([O-])c1C ZINC000537642323 337954851 /nfs/dbraw/zinc/95/48/51/337954851.db2.gz OTGLIFNFUYIFMG-HNNXBMFYSA-N -1 3 322.408 3.638 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000424750209 337969007 /nfs/dbraw/zinc/96/90/07/337969007.db2.gz KKGWMOFJCUKZJG-WPRPVWTQSA-N -1 3 305.271 3.878 20 0 DHADHM Cc1ccc2nc(-c3ccnc(C(F)(F)F)c3)[n-]c(=O)c2c1 ZINC000515409536 337988009 /nfs/dbraw/zinc/98/80/09/337988009.db2.gz ZJEIGCSBEQHHMY-UHFFFAOYSA-N -1 3 305.259 3.725 20 0 DHADHM CC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccc(F)cc1 ZINC000516369444 338012069 /nfs/dbraw/zinc/01/20/69/338012069.db2.gz HGVZSRQCTLJPCD-CSKARUKUSA-N -1 3 321.315 3.708 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000516472872 338013138 /nfs/dbraw/zinc/01/31/38/338013138.db2.gz NZWHWLGQOWETFX-NXEZZACHSA-N -1 3 315.291 3.512 20 0 DHADHM CC1([C@@H](NCc2ccsc2Cl)C(=O)[O-])CCCCC1 ZINC000426745526 338040407 /nfs/dbraw/zinc/04/04/07/338040407.db2.gz URSPTIFCHXJELR-NSHDSACASA-N -1 3 301.839 3.915 20 0 DHADHM C[C@@H](CCC(=O)[O-])CNCc1cc(C(F)(F)F)ccc1Cl ZINC000426655048 338037307 /nfs/dbraw/zinc/03/73/07/338037307.db2.gz BSPFYNCCNYLJTG-VIFPVBQESA-N -1 3 323.742 3.949 20 0 DHADHM Cc1nc(CNC[C@H](C)CCc2ccccc2)sc1C(=O)[O-] ZINC000426713840 338038919 /nfs/dbraw/zinc/03/89/19/338038919.db2.gz KIMLYIJSAWRCLF-GFCCVEGCSA-N -1 3 318.442 3.508 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCC[C@@]2(C)C(=O)[O-])cs1 ZINC000426730254 338039618 /nfs/dbraw/zinc/03/96/18/338039618.db2.gz KMGWGYZQPSCSHW-BLLLJJGKSA-N -1 3 310.463 3.564 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000426730722 338039692 /nfs/dbraw/zinc/03/96/92/338039692.db2.gz LZQJSPHPWHZQLW-RHSMWYFYSA-N -1 3 316.426 3.543 20 0 DHADHM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000426733497 338039881 /nfs/dbraw/zinc/03/98/81/338039881.db2.gz XYXUILZJEFGNFJ-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000426738433 338040154 /nfs/dbraw/zinc/04/01/54/338040154.db2.gz WECMQROTHJTQPV-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000426742729 338040176 /nfs/dbraw/zinc/04/01/76/338040176.db2.gz QQXNITCCJOOSQW-AWEZNQCLSA-N -1 3 310.180 3.909 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2ccc3ncccc3c2)C(=O)[O-])c1 ZINC000426744835 338040387 /nfs/dbraw/zinc/04/03/87/338040387.db2.gz DSVABAORVYXDOS-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000426750515 338040654 /nfs/dbraw/zinc/04/06/54/338040654.db2.gz NTRBQRIWVGFFOF-WFASDCNBSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426760626 338041200 /nfs/dbraw/zinc/04/12/00/338041200.db2.gz SSRCQHWTLYOUBF-ZDUSSCGKSA-N -1 3 313.781 3.765 20 0 DHADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000428635972 338057327 /nfs/dbraw/zinc/05/73/27/338057327.db2.gz YDALJEZFTMBSRQ-INIZCTEOSA-N -1 3 319.788 3.505 20 0 DHADHM Cc1ccc2c(CN3CCn4cccc4[C@H]3C)ccc([O-])c2n1 ZINC000429729157 338088608 /nfs/dbraw/zinc/08/86/08/338088608.db2.gz YSCURNUDKYURCP-CQSZACIVSA-N -1 3 307.397 3.627 20 0 DHADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429889539 338091231 /nfs/dbraw/zinc/09/12/31/338091231.db2.gz OWAUQDPQUVVFGA-UHFFFAOYSA-N -1 3 308.230 3.628 20 0 DHADHM CCC(C)(C)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000430098200 338096398 /nfs/dbraw/zinc/09/63/98/338096398.db2.gz IEZFEIUYBWQFAT-UHFFFAOYSA-N -1 3 311.838 3.958 20 0 DHADHM CO[C@@](C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1F ZINC000430254907 338103272 /nfs/dbraw/zinc/10/32/72/338103272.db2.gz CUPUJMJXDNXCHN-MRXNPFEDSA-N -1 3 323.751 3.685 20 0 DHADHM O=C(NCC1(c2ccccc2)CCC1)c1cc([O-])ccc1Cl ZINC000431512627 338132955 /nfs/dbraw/zinc/13/29/55/338132955.db2.gz PVYSRULUOVDCFV-UHFFFAOYSA-N -1 3 315.800 3.897 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)Sc1ccccc1 ZINC000431846167 338140060 /nfs/dbraw/zinc/14/00/60/338140060.db2.gz RLSBWUVEHBKCDZ-LLVKDONJSA-N -1 3 321.829 3.956 20 0 DHADHM CCOCc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431902784 338141440 /nfs/dbraw/zinc/14/14/40/338141440.db2.gz PYZQLCZVCIORNX-UHFFFAOYSA-N -1 3 319.788 3.512 20 0 DHADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])CC2 ZINC000431925005 338142009 /nfs/dbraw/zinc/14/20/09/338142009.db2.gz IXYKGCDFZBEWOM-CYBMUJFWSA-N -1 3 317.772 3.723 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433297592 338190218 /nfs/dbraw/zinc/19/02/18/338190218.db2.gz LTDRVIGQNVWRRY-JSGCOSHPSA-N -1 3 317.820 3.695 20 0 DHADHM CCc1cc(C)cc(CC)c1NC(=O)NCc1ncccc1[O-] ZINC000435182857 338234160 /nfs/dbraw/zinc/23/41/60/338234160.db2.gz UATJQZUGDCQXRY-UHFFFAOYSA-N -1 3 313.401 3.542 20 0 DHADHM Cc1ccc(NC(=O)N(C)C)cc1NCc1cc([O-])cc(F)c1 ZINC000435736761 338246980 /nfs/dbraw/zinc/24/69/80/338246980.db2.gz YXBQUOBFYAVIBU-UHFFFAOYSA-N -1 3 317.364 3.545 20 0 DHADHM O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc([O-])cc1F ZINC000435801745 338249776 /nfs/dbraw/zinc/24/97/76/338249776.db2.gz VAVNVHQUWFBBKT-QGZVFWFLSA-N -1 3 315.344 3.564 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000436476079 338273495 /nfs/dbraw/zinc/27/34/95/338273495.db2.gz HRUDOQFAPNOUGO-UHFFFAOYSA-N -1 3 317.410 3.918 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000436479010 338273685 /nfs/dbraw/zinc/27/36/85/338273685.db2.gz PCRDKTSTKHSGIG-UHFFFAOYSA-N -1 3 311.765 3.923 20 0 DHADHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436484558 338273946 /nfs/dbraw/zinc/27/39/46/338273946.db2.gz IKYNHNWCKKMDCA-LBPRGKRZSA-N -1 3 311.381 3.597 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC[C@H]1C(F)F ZINC000436494084 338274240 /nfs/dbraw/zinc/27/42/40/338274240.db2.gz MOLXNBYGNFFEMR-AWEZNQCLSA-N -1 3 309.356 3.531 20 0 DHADHM C[C@H](Cn1ncc2ccccc21)c1nc(-c2ccc([O-])cc2)no1 ZINC000436515600 338274904 /nfs/dbraw/zinc/27/49/04/338274904.db2.gz SKHWYNAGZYFOSD-GFCCVEGCSA-N -1 3 320.352 3.596 20 0 DHADHM [O-]c1ccc(-c2noc(CCCc3ccc(F)c(F)c3)n2)cc1 ZINC000436530716 338275287 /nfs/dbraw/zinc/27/52/87/338275287.db2.gz FISCSVCLWZBHBC-UHFFFAOYSA-N -1 3 316.307 3.896 20 0 DHADHM Cc1ccc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c([O-])c1C ZINC000436534608 338275706 /nfs/dbraw/zinc/27/57/06/338275706.db2.gz LROHQQMKCAUFNX-RHSMWYFYSA-N -1 3 319.445 3.580 20 0 DHADHM CCN(Cc1ccccc1C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436535234 338275708 /nfs/dbraw/zinc/27/57/08/338275708.db2.gz YXPFKPHKWAOTQC-UHFFFAOYSA-N -1 3 311.381 3.566 20 0 DHADHM COCCN(C(=O)c1cccc(C)c1[O-])[C@H](C)c1ccccc1 ZINC000436534403 338275782 /nfs/dbraw/zinc/27/57/82/338275782.db2.gz OWVGNTVFAUHAOI-OAHLLOKOSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc(-c2nc(CCn3ccc4ccccc43)no2)c([O-])c1 ZINC000436536950 338275935 /nfs/dbraw/zinc/27/59/35/338275935.db2.gz WOKGJSAZUFZTHL-UHFFFAOYSA-N -1 3 319.364 3.948 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([O-])c1C ZINC000436543345 338276265 /nfs/dbraw/zinc/27/62/65/338276265.db2.gz DYWYFIGYNMJEDZ-LLVKDONJSA-N -1 3 304.777 3.548 20 0 DHADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436546079 338276591 /nfs/dbraw/zinc/27/65/91/338276591.db2.gz FSBHCTMQYHVIEN-HNNXBMFYSA-N -1 3 317.429 3.756 20 0 DHADHM CCc1nc([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cs1 ZINC000436549617 338276739 /nfs/dbraw/zinc/27/67/39/338276739.db2.gz GTYHLEQZOJTDCW-NSHDSACASA-N -1 3 304.415 3.519 20 0 DHADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436560273 338277062 /nfs/dbraw/zinc/27/70/62/338277062.db2.gz CHWOMOSYFUKJIH-LLVKDONJSA-N -1 3 317.410 3.701 20 0 DHADHM Cc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c([O-])c1C ZINC000436564443 338277224 /nfs/dbraw/zinc/27/72/24/338277224.db2.gz JXKCZCHVRZVMTB-UHFFFAOYSA-N -1 3 307.393 3.697 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc3ccccc3n2)c1[O-] ZINC000436564039 338277355 /nfs/dbraw/zinc/27/73/55/338277355.db2.gz NYIIOCVHEHANRK-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(F)cc4cccnc43)n2)cc1 ZINC000436568334 338277462 /nfs/dbraw/zinc/27/74/62/338277462.db2.gz WVIQKGOLHUHGCE-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c([O-])c1C ZINC000436574513 338277785 /nfs/dbraw/zinc/27/77/85/338277785.db2.gz GBFKRQPKFWGCDQ-UHFFFAOYSA-N -1 3 315.335 3.814 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)c([O-])c1 ZINC000436576963 338278034 /nfs/dbraw/zinc/27/80/34/338278034.db2.gz SGEBCVRPQKTLJB-MRXNPFEDSA-N -1 3 307.459 3.729 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1[O-] ZINC000436575749 338278075 /nfs/dbraw/zinc/27/80/75/338278075.db2.gz NKIAJBABNNYOEX-NVXWUHKLSA-N -1 3 309.409 3.794 20 0 DHADHM COC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(C)o1 ZINC000436579018 338278096 /nfs/dbraw/zinc/27/80/96/338278096.db2.gz XZKRMXXBTPTTLN-HNNXBMFYSA-N -1 3 317.385 3.535 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(OCCF)c2)c([O-])c1C ZINC000436581273 338278252 /nfs/dbraw/zinc/27/82/52/338278252.db2.gz FEKXYZIBNWNWDH-UHFFFAOYSA-N -1 3 303.333 3.610 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@@H]2CCC(C)C)c([O-])c1 ZINC000436589951 338278786 /nfs/dbraw/zinc/27/87/86/338278786.db2.gz XAENMLNWIDXKMZ-CQSZACIVSA-N -1 3 305.418 3.832 20 0 DHADHM CC(C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC000436588563 338278839 /nfs/dbraw/zinc/27/88/39/338278839.db2.gz NOJVZVXNCSRNSF-CYBMUJFWSA-N -1 3 305.399 3.677 20 0 DHADHM CC1(C)[C@@H]2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C[C@@H]21 ZINC000436592794 338278903 /nfs/dbraw/zinc/27/89/03/338278903.db2.gz YZYXAGGVANTLOT-CALCHBBNSA-N -1 3 323.392 3.913 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2nc(C3CC3)cs2)c([O-])c1 ZINC000436599386 338279285 /nfs/dbraw/zinc/27/92/85/338279285.db2.gz XPSKSBWUNVPVCO-UHFFFAOYSA-N -1 3 316.426 3.780 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)c([O-])c1 ZINC000436596851 338279295 /nfs/dbraw/zinc/27/92/95/338279295.db2.gz SCNDOAKOQWERBP-HNNXBMFYSA-N -1 3 317.429 3.976 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c([O-])c1 ZINC000436596854 338279359 /nfs/dbraw/zinc/27/93/59/338279359.db2.gz SCNDOAKOQWERBP-OAHLLOKOSA-N -1 3 317.429 3.976 20 0 DHADHM Cc1ncc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(C)n1 ZINC000436606093 338279681 /nfs/dbraw/zinc/27/96/81/338279681.db2.gz DJLLYQVNBQVYNJ-UHFFFAOYSA-N -1 3 318.336 3.669 20 0 DHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000436604968 338279692 /nfs/dbraw/zinc/27/96/92/338279692.db2.gz OUZQKEXMGXOGFI-ZDUSSCGKSA-N -1 3 309.356 3.579 20 0 DHADHM Cc1ccncc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436611532 338279991 /nfs/dbraw/zinc/27/99/91/338279991.db2.gz LAAXDSFAWKBJSF-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccncc3)n2)c2ccccc12 ZINC000436617615 338280072 /nfs/dbraw/zinc/28/00/72/338280072.db2.gz LBEPNZJIRCDEEU-UHFFFAOYSA-N -1 3 317.348 3.776 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1[O-] ZINC000436617237 338280178 /nfs/dbraw/zinc/28/01/78/338280178.db2.gz MUZIDUOCDNZCBR-UHFFFAOYSA-N -1 3 308.337 3.648 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436623241 338280267 /nfs/dbraw/zinc/28/02/67/338280267.db2.gz DJWHDMQBHFMQDD-CQSZACIVSA-N -1 3 313.397 3.754 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436633825 338280727 /nfs/dbraw/zinc/28/07/27/338280727.db2.gz MNAIIXBQDRWFGN-OAHLLOKOSA-N -1 3 309.409 3.659 20 0 DHADHM Cc1ncn(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)c1C ZINC000436643059 338281113 /nfs/dbraw/zinc/28/11/13/338281113.db2.gz VRVIKFCYJBYAES-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436645056 338281181 /nfs/dbraw/zinc/28/11/81/338281181.db2.gz AJEQUXYFENPAPO-LLVKDONJSA-N -1 3 311.337 3.643 20 0 DHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1cc2ccccc2s1 ZINC000436648637 338281372 /nfs/dbraw/zinc/28/13/72/338281372.db2.gz PFJNZIQSZIQVKH-SNVBAGLBSA-N -1 3 313.378 3.804 20 0 DHADHM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436657198 338281852 /nfs/dbraw/zinc/28/18/52/338281852.db2.gz KTPOZNJUPBXFQV-CXAGYDPISA-N -1 3 311.381 3.711 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c([O-])c1 ZINC000436674498 338282370 /nfs/dbraw/zinc/28/23/70/338282370.db2.gz IGEHNHRZPYQZBK-UHFFFAOYSA-N -1 3 324.424 3.939 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c1 ZINC000436680172 338282419 /nfs/dbraw/zinc/28/24/19/338282419.db2.gz NAEFKAGKPBKDTA-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM CCSCc1ccnc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436687246 338282848 /nfs/dbraw/zinc/28/28/48/338282848.db2.gz HYVFBGWRBRBUTG-UHFFFAOYSA-N -1 3 302.399 3.601 20 0 DHADHM CCc1cc(C(=O)N[C@H](CC)c2nc3ccccc3[nH]2)ccc1[O-] ZINC000436692683 338283234 /nfs/dbraw/zinc/28/32/34/338283234.db2.gz ZHIVONXJYFKYMP-CQSZACIVSA-N -1 3 323.396 3.712 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(OC4CCCC4)nc3)n2)cc1 ZINC000436698245 338283403 /nfs/dbraw/zinc/28/34/03/338283403.db2.gz PSIJUCLORVQRBE-UHFFFAOYSA-N -1 3 323.352 3.826 20 0 DHADHM CCc1cc(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)ccc1[O-] ZINC000436710516 338283708 /nfs/dbraw/zinc/28/37/08/338283708.db2.gz VJBVYXPLKOAZRN-NOZJJQNGSA-N -1 3 303.324 3.661 20 0 DHADHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccccc2[O-])C12CCCCC2 ZINC000436719198 338284081 /nfs/dbraw/zinc/28/40/81/338284081.db2.gz OQICKNNADTWIJS-IRXDYDNUSA-N -1 3 317.429 3.592 20 0 DHADHM Cc1ncc(C(=O)[N-]c2csnc2-c2ccccc2)s1 ZINC000436722630 338284189 /nfs/dbraw/zinc/28/41/89/338284189.db2.gz MLVVOKXILGPNHA-UHFFFAOYSA-N -1 3 301.396 3.827 20 0 DHADHM Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c([O-])c1C ZINC000436723404 338284192 /nfs/dbraw/zinc/28/41/92/338284192.db2.gz LKSMLEJRNVBOGM-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM Cc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)c([O-])c1C ZINC000436731050 338284445 /nfs/dbraw/zinc/28/44/45/338284445.db2.gz ZPYIZPTZPVJBSS-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM CCc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c([O-])c1 ZINC000436727820 338284515 /nfs/dbraw/zinc/28/45/15/338284515.db2.gz CWEGTUVWXYOQJY-UHFFFAOYSA-N -1 3 307.393 3.884 20 0 DHADHM CCN(CCOC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436735962 338284822 /nfs/dbraw/zinc/28/48/22/338284822.db2.gz DWYPAKYQGKKWQX-UHFFFAOYSA-N -1 3 307.434 3.748 20 0 DHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436736356 338284900 /nfs/dbraw/zinc/28/49/00/338284900.db2.gz GJKSQQGZKOEBMA-LSDHHAIUSA-N -1 3 311.381 3.554 20 0 DHADHM CN(C)Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436758283 338285966 /nfs/dbraw/zinc/28/59/66/338285966.db2.gz WURMKPMOOWUCAR-UHFFFAOYSA-N -1 3 320.392 3.859 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c([O-])c1C ZINC000436762367 338286262 /nfs/dbraw/zinc/28/62/62/338286262.db2.gz RHCRCELAUKDZQQ-NSHDSACASA-N -1 3 305.324 3.778 20 0 DHADHM Cc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4)no3)c21 ZINC000436766522 338286398 /nfs/dbraw/zinc/28/63/98/338286398.db2.gz CLUCYMQTSXARCZ-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cccc(F)c3F)n2)cc1 ZINC000436769445 338286519 /nfs/dbraw/zinc/28/65/19/338286519.db2.gz OBUOTPSDFIFAPZ-UHFFFAOYSA-N -1 3 302.280 3.506 20 0 DHADHM CSc1ccc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436779271 338286958 /nfs/dbraw/zinc/28/69/58/338286958.db2.gz UVVFVTAZCAFNSL-LBPRGKRZSA-N -1 3 301.411 3.914 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccc(F)cc3Cl)n2)cc1 ZINC000436779813 338287163 /nfs/dbraw/zinc/28/71/63/338287163.db2.gz YWRWRQCJEMCVPF-UHFFFAOYSA-N -1 3 320.707 3.814 20 0 DHADHM COc1cc(-c2noc(-c3cc(F)c(F)c(F)c3)n2)ccc1[O-] ZINC000436785378 338287275 /nfs/dbraw/zinc/28/72/75/338287275.db2.gz OXIBYINIOPNGMG-UHFFFAOYSA-N -1 3 322.242 3.535 20 0 DHADHM Cc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)c([O-])c1C ZINC000436789784 338287470 /nfs/dbraw/zinc/28/74/70/338287470.db2.gz DLOMGMPARIPVPF-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM COc1cc(-c2noc(-c3ccc4c(c3)CCC4)n2)ccc1[O-] ZINC000436793126 338287694 /nfs/dbraw/zinc/28/76/94/338287694.db2.gz ZMNBJYCFEXLHGX-UHFFFAOYSA-N -1 3 308.337 3.607 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1 ZINC000436810579 338288096 /nfs/dbraw/zinc/28/80/96/338288096.db2.gz BSRZDWZYUQHCKQ-ZDUSSCGKSA-N -1 3 301.390 3.757 20 0 DHADHM CCCC[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436822091 338288571 /nfs/dbraw/zinc/28/85/71/338288571.db2.gz RMGDDHZTBSTKBG-LBPRGKRZSA-N -1 3 305.418 3.756 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](CC)c2nc(C)cs2)c([O-])c1 ZINC000436824008 338288648 /nfs/dbraw/zinc/28/86/48/338288648.db2.gz FDPBNZIDLXWTJO-ZDUSSCGKSA-N -1 3 304.415 3.601 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000436832532 338288987 /nfs/dbraw/zinc/28/89/87/338288987.db2.gz SADNMDAPJFMADJ-RHSMWYFYSA-N -1 3 309.409 3.973 20 0 DHADHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c1 ZINC000436834880 338289118 /nfs/dbraw/zinc/28/91/18/338289118.db2.gz RTSUNFSMFMSHNZ-QGZVFWFLSA-N -1 3 309.409 3.947 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2C)c([O-])c1 ZINC000436833550 338289258 /nfs/dbraw/zinc/28/92/58/338289258.db2.gz JXEIAMNNFGEEQM-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)Cc1ccsc1 ZINC000436838768 338289428 /nfs/dbraw/zinc/28/94/28/338289428.db2.gz LCTMDJNIGJHUAU-ZDUSSCGKSA-N -1 3 303.427 3.855 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)c([O-])c1 ZINC000436844829 338289757 /nfs/dbraw/zinc/28/97/57/338289757.db2.gz HGIXSSLTALIYPY-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C)cc2[O-])ccn1 ZINC000436846939 338289838 /nfs/dbraw/zinc/28/98/38/338289838.db2.gz IPFYUNGTFHVFLE-GFCCVEGCSA-N -1 3 300.358 3.525 20 0 DHADHM CCc1ccc([C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436851559 338289856 /nfs/dbraw/zinc/28/98/56/338289856.db2.gz LVSFCJZZCSEORT-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C)cc1[O-] ZINC000436857592 338290233 /nfs/dbraw/zinc/29/02/33/338290233.db2.gz BCEJCIKNZRRALB-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM CSc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1F ZINC000436867395 338290546 /nfs/dbraw/zinc/29/05/46/338290546.db2.gz BXGHKCCVRARBEU-UHFFFAOYSA-N -1 3 302.330 3.970 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436867553 338290563 /nfs/dbraw/zinc/29/05/63/338290563.db2.gz CYXOPVJSZJGWJO-DOMZBBRYSA-N -1 3 302.374 3.928 20 0 DHADHM CCCOc1ccccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436869630 338290679 /nfs/dbraw/zinc/29/06/79/338290679.db2.gz NDIGOXFDBNPWJI-UHFFFAOYSA-N -1 3 313.353 3.636 20 0 DHADHM Cc1ccc2c(c1)CC[C@H](c1nc(-c3ccc([O-])cc3)no1)O2 ZINC000436867827 338290702 /nfs/dbraw/zinc/29/07/02/338290702.db2.gz DYICZUVQOCRQGS-MRXNPFEDSA-N -1 3 308.337 3.817 20 0 DHADHM CCOc1cc(-c2noc(C[C@@H]3CCC[C@@H]3C)n2)ccc1[O-] ZINC000436871713 338290834 /nfs/dbraw/zinc/29/08/34/338290834.db2.gz KPDLSANRRQOXPV-RYUDHWBXSA-N -1 3 302.374 3.820 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3C[C@@]3(C)C(C)C)n2)ccc1[O-] ZINC000436879278 338291407 /nfs/dbraw/zinc/29/14/07/338291407.db2.gz WUPHKMMROAUBSN-SJCJKPOMSA-N -1 3 302.374 3.991 20 0 DHADHM COc1cc(C)cc(C(=O)N2CC3(CCC3)c3ccccc32)c1[O-] ZINC000436889568 338291865 /nfs/dbraw/zinc/29/18/65/338291865.db2.gz RDGVQFBCYDRTGT-UHFFFAOYSA-N -1 3 323.392 3.791 20 0 DHADHM CCc1ccc(-c2noc(-c3cc(C)cc(OC)c3[O-])n2)cc1 ZINC000436891104 338292088 /nfs/dbraw/zinc/29/20/88/338292088.db2.gz HMHQABMGCZWOTF-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436897734 338292481 /nfs/dbraw/zinc/29/24/81/338292481.db2.gz TYTOWKSKTQTRRQ-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccccc2OC(F)F)no1 ZINC000436896434 338292611 /nfs/dbraw/zinc/29/26/11/338292611.db2.gz YRUGSJUJSOMQDZ-UHFFFAOYSA-N -1 3 304.252 3.711 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436900726 338292660 /nfs/dbraw/zinc/29/26/60/338292660.db2.gz JPSLNFUGPSEPQP-YDZSZYSISA-N -1 3 323.392 3.719 20 0 DHADHM COc1c(C)cc(CN(C)C(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436902628 338292767 /nfs/dbraw/zinc/29/27/67/338292767.db2.gz KIKSTAPFYQVBPL-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)c([O-])c1C ZINC000436904306 338292831 /nfs/dbraw/zinc/29/28/31/338292831.db2.gz KYNKWHBTGOQAGB-INIZCTEOSA-N -1 3 311.381 3.653 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cccc4[nH]ccc43)no2)c1[O-] ZINC000436903036 338292887 /nfs/dbraw/zinc/29/28/87/338292887.db2.gz LTBXLRFKQHRCFF-UHFFFAOYSA-N -1 3 321.336 3.908 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)ccc1[O-] ZINC000436920328 338293390 /nfs/dbraw/zinc/29/33/90/338293390.db2.gz GSKAZQQZDYDPKF-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM CCCOCc1ccccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436923399 338293630 /nfs/dbraw/zinc/29/36/30/338293630.db2.gz CJVPIPOKVSRAGC-UHFFFAOYSA-N -1 3 313.397 3.557 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H]1CCC(C)(C)C1 ZINC000436925359 338293716 /nfs/dbraw/zinc/29/37/16/338293716.db2.gz ZKXFICWLQBMPAY-ZDUSSCGKSA-N -1 3 317.429 3.756 20 0 DHADHM COc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4)no3)c21 ZINC000436926144 338293863 /nfs/dbraw/zinc/29/38/63/338293863.db2.gz KOROYZRJOYCVSM-UHFFFAOYSA-N -1 3 321.336 3.523 20 0 DHADHM COc1cccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)c1[O-] ZINC000436925506 338293881 /nfs/dbraw/zinc/29/38/81/338293881.db2.gz GNUGOQIIMSCJPD-JTQLQIEISA-N -1 3 323.801 3.533 20 0 DHADHM Cc1cc(C(=O)NCCCOc2c(C)cccc2C)ccc1[O-] ZINC000436925715 338293899 /nfs/dbraw/zinc/29/38/99/338293899.db2.gz KULDYNOODGCOFL-UHFFFAOYSA-N -1 3 313.397 3.516 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436930284 338294018 /nfs/dbraw/zinc/29/40/18/338294018.db2.gz WMXVZODXIVDPHI-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c1 ZINC000436935223 338294535 /nfs/dbraw/zinc/29/45/35/338294535.db2.gz VWUFJEIYTWFTSZ-LBPRGKRZSA-N -1 3 310.353 3.911 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)ccc1[O-] ZINC000436939361 338294612 /nfs/dbraw/zinc/29/46/12/338294612.db2.gz ZGBSPNYHMVVPKS-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)ccc1[O-] ZINC000436938496 338294632 /nfs/dbraw/zinc/29/46/32/338294632.db2.gz LVWKMUCLOXKBGW-NSHDSACASA-N -1 3 317.335 3.738 20 0 DHADHM COc1ccc(OC(C)C)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436939239 338294649 /nfs/dbraw/zinc/29/46/49/338294649.db2.gz OITWLOBBYPRZFC-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2F)ccc1[O-] ZINC000436941048 338294878 /nfs/dbraw/zinc/29/48/78/338294878.db2.gz ZRKACPZDUCZBGF-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000436945751 338295095 /nfs/dbraw/zinc/29/50/95/338295095.db2.gz QCTCYCHJELEDKT-RISCZKNCSA-N -1 3 319.763 3.779 20 0 DHADHM CO[C@H](c1noc(-c2cccc(C)c2[O-])n1)c1ccc(F)cc1 ZINC000436947645 338295416 /nfs/dbraw/zinc/29/54/16/338295416.db2.gz GWQHGFYRRKRQHX-HNNXBMFYSA-N -1 3 314.316 3.626 20 0 DHADHM CCOc1cc(-c2noc(C3(F)CCCCC3)n2)ccc1[O-] ZINC000436954006 338295706 /nfs/dbraw/zinc/29/57/06/338295706.db2.gz CXFQZGHHUXMXDM-UHFFFAOYSA-N -1 3 306.337 3.970 20 0 DHADHM Cc1cc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)ccn1 ZINC000436957039 338295831 /nfs/dbraw/zinc/29/58/31/338295831.db2.gz RCGAMUVCVDVBSG-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964205 338296146 /nfs/dbraw/zinc/29/61/46/338296146.db2.gz PWRBYTNSTXDDHA-ZDUSSCGKSA-N -1 3 321.486 3.875 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(F)cc2OC(C)C)c1[O-] ZINC000436967095 338296225 /nfs/dbraw/zinc/29/62/25/338296225.db2.gz OFRPARGBSPHJRD-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1cc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)ccn1 ZINC000436968455 338296297 /nfs/dbraw/zinc/29/62/97/338296297.db2.gz UGVJSBCQZJNKIH-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM COc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c([O-])c1 ZINC000436977677 338296472 /nfs/dbraw/zinc/29/64/72/338296472.db2.gz GGJADBVTYHVSFS-GOSISDBHSA-N -1 3 323.392 3.768 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)c([O-])c1 ZINC000436995916 338297244 /nfs/dbraw/zinc/29/72/44/338297244.db2.gz JNXKNQVLQSZBHU-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(O)cc1[O-] ZINC000437279720 338305926 /nfs/dbraw/zinc/30/59/26/338305926.db2.gz DWAHGRYQEOJNHQ-ZWKOTPCHSA-N -1 3 319.360 3.537 20 0 DHADHM CCC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCC1 ZINC000437306416 338306780 /nfs/dbraw/zinc/30/67/80/338306780.db2.gz HZSIZLZVHJWSLX-UHFFFAOYSA-N -1 3 321.364 3.564 20 0 DHADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])cc1Cl ZINC000438617854 338350202 /nfs/dbraw/zinc/35/02/02/338350202.db2.gz GLSOFQZVXYQHKO-GFCCVEGCSA-N -1 3 323.742 3.681 20 0 DHADHM CC1CC([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000440395475 338386670 /nfs/dbraw/zinc/38/66/70/338386670.db2.gz CAIWPLSXKRTKMD-UHFFFAOYSA-N -1 3 309.818 3.570 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CC1 ZINC000440389693 338386696 /nfs/dbraw/zinc/38/66/96/338386696.db2.gz ZBHUVERCJQVNBU-JTQLQIEISA-N -1 3 309.818 3.570 20 0 DHADHM [O-]c1cccnc1CNc1ncnc2sc3ccccc3c21 ZINC000440648817 338394258 /nfs/dbraw/zinc/39/42/58/338394258.db2.gz XZWFNLCNYIZGDX-UHFFFAOYSA-N -1 3 308.366 3.557 20 0 DHADHM C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)(F)F ZINC000452462291 338767432 /nfs/dbraw/zinc/76/74/32/338767432.db2.gz WKUQCIYAOSANSY-LLVKDONJSA-N -1 3 307.340 3.638 20 0 DHADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452743556 338777564 /nfs/dbraw/zinc/77/75/64/338777564.db2.gz AUMIZAGFDVUXMH-XPTSAGLGSA-N -1 3 312.207 3.838 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1Br ZINC000459277697 339018830 /nfs/dbraw/zinc/01/88/30/339018830.db2.gz IYASPVUIJTYAFI-ZDUSSCGKSA-N -1 3 321.218 3.820 20 0 DHADHM CCOc1cc(CN2CCn3cccc3[C@H]2C)cc(Cl)c1[O-] ZINC000459283606 339019242 /nfs/dbraw/zinc/01/92/42/339019242.db2.gz AAEPPEUUURNGOT-GFCCVEGCSA-N -1 3 320.820 3.823 20 0 DHADHM Cc1ccc(CN(C)Cc2cccc([O-])c2Br)o1 ZINC000459297874 339019918 /nfs/dbraw/zinc/01/99/18/339019918.db2.gz SOMQTVNHQQJHCM-UHFFFAOYSA-N -1 3 310.191 3.688 20 0 DHADHM CC[C@H]1c2ccsc2CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459301918 339020321 /nfs/dbraw/zinc/02/03/21/339020321.db2.gz NGYGMUFNCMIZEA-AWEZNQCLSA-N -1 3 315.442 3.631 20 0 DHADHM C[C@@H]1c2cccn2CCN1Cc1cccc([O-])c1Br ZINC000459308657 339020827 /nfs/dbraw/zinc/02/08/27/339020827.db2.gz YETVKWFEYTYDDJ-LLVKDONJSA-N -1 3 321.218 3.533 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Cl ZINC000459346247 339023437 /nfs/dbraw/zinc/02/34/37/339023437.db2.gz JBCWUYNDRHDQOB-SNVBAGLBSA-N -1 3 303.793 3.564 20 0 DHADHM CCOc1cc(CNc2nc(C)ccc2OC)cc(Cl)c1[O-] ZINC000459441869 339029348 /nfs/dbraw/zinc/02/93/48/339029348.db2.gz LLHUWFZZSAJUPX-UHFFFAOYSA-N -1 3 322.792 3.768 20 0 DHADHM CCOc1cc(CN2CCSCC[C@H]2C)cc(Cl)c1[O-] ZINC000459514155 339033423 /nfs/dbraw/zinc/03/34/23/339033423.db2.gz GMLINVXIEPZXSX-LLVKDONJSA-N -1 3 315.866 3.772 20 0 DHADHM [O-]c1cccc(CN2CCCC[C@@H]2C(F)F)c1Br ZINC000459525953 339034070 /nfs/dbraw/zinc/03/40/70/339034070.db2.gz ITNSLZYFJJDRAB-SNVBAGLBSA-N -1 3 320.177 3.774 20 0 DHADHM [O-]c1cccc(CNC2CC(C(F)(F)F)C2)c1Br ZINC000459565311 339036109 /nfs/dbraw/zinc/03/61/09/339036109.db2.gz GXCOMSXFICCCNG-UHFFFAOYSA-N -1 3 324.140 3.585 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1 ZINC000462318213 339075843 /nfs/dbraw/zinc/07/58/43/339075843.db2.gz ZYRDEBRAKUNFBB-SNVBAGLBSA-N -1 3 319.829 3.726 20 0 DHADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462715223 339084651 /nfs/dbraw/zinc/08/46/51/339084651.db2.gz LPCBIEDPEBZSLR-ZJUUUORDSA-N -1 3 307.818 3.582 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c1 ZINC000463169974 339107844 /nfs/dbraw/zinc/10/78/44/339107844.db2.gz JHAWEQCTFLODEZ-AWEZNQCLSA-N -1 3 317.429 3.833 20 0 DHADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000465505003 339178481 /nfs/dbraw/zinc/17/84/81/339178481.db2.gz SRAPVAUMKFMSTQ-JQWIXIFHSA-N -1 3 321.364 3.562 20 0 DHADHM Cc1cc(C(C)(C)C)cc(C)c1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000468072385 339253306 /nfs/dbraw/zinc/25/33/06/339253306.db2.gz ZBOIWJHBQZKZEP-UHFFFAOYSA-N -1 3 320.820 3.565 20 0 DHADHM Fc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1Cl ZINC000468474643 339263582 /nfs/dbraw/zinc/26/35/82/339263582.db2.gz HAKBWUFXCHQWQL-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM COc1ccc(C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468558372 339266444 /nfs/dbraw/zinc/26/64/44/339266444.db2.gz BJKMGOGRGSUVDD-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM CC(C)CCO[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000468945911 339275592 /nfs/dbraw/zinc/27/55/92/339275592.db2.gz JGTFZDWBBJCWSN-KBPBESRZSA-N -1 3 305.418 3.684 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000469103625 339280250 /nfs/dbraw/zinc/28/02/50/339280250.db2.gz WWVINDKYXUIMRX-GFCCVEGCSA-N -1 3 315.335 3.548 20 0 DHADHM C[C@@H]1CCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)c2c([O-])cccc21 ZINC000469209034 339283142 /nfs/dbraw/zinc/28/31/42/339283142.db2.gz CQRLINLYMKKXBS-JKIFEVAISA-N -1 3 317.429 3.828 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2[n-]1 ZINC000469560262 339293321 /nfs/dbraw/zinc/29/33/21/339293321.db2.gz KJNAERRHRKJJFK-UHFFFAOYSA-N -1 3 323.396 3.855 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)c3cc(C)cc(C)c3)ccc2[n-]1 ZINC000469560262 339293322 /nfs/dbraw/zinc/29/33/22/339293322.db2.gz KJNAERRHRKJJFK-UHFFFAOYSA-N -1 3 323.396 3.855 20 0 DHADHM CCCn1c(=O)[n-]nc1SCC1CCC(C(F)(F)F)CC1 ZINC000471449342 339345181 /nfs/dbraw/zinc/34/51/81/339345181.db2.gz BPITWCQHDZFIEO-UHFFFAOYSA-N -1 3 323.384 3.855 20 0 DHADHM CCCN(C(=O)c1csc(=O)[n-]1)[C@@H](CC)c1ccccc1 ZINC000471952316 339358217 /nfs/dbraw/zinc/35/82/17/339358217.db2.gz MUKSPYHHJDPHLG-AWEZNQCLSA-N -1 3 304.415 3.852 20 0 DHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472268645 339368187 /nfs/dbraw/zinc/36/81/87/339368187.db2.gz IICHTFAAVRKHJI-DOTOQJQBSA-N -1 3 315.438 3.949 20 0 DHADHM Cc1ccccc1[C@H]1CN(Cc2cc([O-])cc(F)c2)[C@@H](C)CO1 ZINC000473144683 339382533 /nfs/dbraw/zinc/38/25/33/339382533.db2.gz VJYQQWBPMBRDGS-IFXJQAMLSA-N -1 3 315.388 3.802 20 0 DHADHM CCC[C@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000473626768 339389077 /nfs/dbraw/zinc/38/90/77/339389077.db2.gz CGPXBULGEFMRPJ-OAHLLOKOSA-N -1 3 304.434 3.790 20 0 DHADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])CO2 ZINC000474363329 339411036 /nfs/dbraw/zinc/41/10/36/339411036.db2.gz OETHALDUKOYWFO-CYBMUJFWSA-N -1 3 317.772 3.777 20 0 DHADHM CCCCCOc1ccc(CNCc2ncccc2[O-])cc1 ZINC000475336173 339447448 /nfs/dbraw/zinc/44/74/48/339447448.db2.gz SVDDZGCNXZZVEB-UHFFFAOYSA-N -1 3 300.402 3.646 20 0 DHADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000479563811 339541374 /nfs/dbraw/zinc/54/13/74/339541374.db2.gz OXVOUVWJZLTJAM-CQSZACIVSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(Cc2c(F)cccc2F)C2CC2)c1 ZINC000481107227 339595608 /nfs/dbraw/zinc/59/56/08/339595608.db2.gz KOHABILPSJDTTN-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccc1[O-] ZINC000482065052 339621514 /nfs/dbraw/zinc/62/15/14/339621514.db2.gz XQXKQQQQEPTJFG-CYBMUJFWSA-N -1 3 315.335 3.751 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2OCC2CC2)ccc1[O-] ZINC000482500361 339633585 /nfs/dbraw/zinc/63/35/85/339633585.db2.gz IAGKULIUJVIATK-UHFFFAOYSA-N -1 3 315.344 3.881 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC000485100947 339698641 /nfs/dbraw/zinc/69/86/41/339698641.db2.gz NMGODMXVJBEXMJ-UHFFFAOYSA-N -1 3 323.389 3.724 20 0 DHADHM O=C(CCOc1ccc2ccccc2c1)Nc1ccccc1[O-] ZINC000485868173 339715037 /nfs/dbraw/zinc/71/50/37/339715037.db2.gz BWIPEUGHMGOVFY-UHFFFAOYSA-N -1 3 307.349 3.953 20 0 DHADHM CCc1cc(C(=O)NC(C)(C)c2ccccc2OC)ccc1[O-] ZINC000486193219 339723069 /nfs/dbraw/zinc/72/30/69/339723069.db2.gz NJSRQVAXWPTWMZ-UHFFFAOYSA-N -1 3 313.397 3.628 20 0 DHADHM CCc1cc(C(=O)NC(C)(C)c2cccc(F)c2)ccc1[O-] ZINC000486367058 339726118 /nfs/dbraw/zinc/72/61/18/339726118.db2.gz DZSIQDIJIYZHMZ-UHFFFAOYSA-N -1 3 301.361 3.759 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000486685642 339731225 /nfs/dbraw/zinc/73/12/25/339731225.db2.gz FNSGCJPPCPDVTE-JTQLQIEISA-N -1 3 323.792 3.505 20 0 DHADHM O=S(=O)([N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1cccs1 ZINC000486697038 339731662 /nfs/dbraw/zinc/73/16/62/339731662.db2.gz RQQFJGWBIQVDEZ-LSDHHAIUSA-N -1 3 321.467 3.753 20 0 DHADHM CCc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)ccc1[O-] ZINC000487468132 339754657 /nfs/dbraw/zinc/75/46/57/339754657.db2.gz LSXTYBSKRKKAQW-UHFFFAOYSA-N -1 3 322.408 3.584 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(Cl)c(OC)c2)ccc1[O-] ZINC000487501236 339755140 /nfs/dbraw/zinc/75/51/40/339755140.db2.gz OODXMFUYEPBZAT-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM CC=C(C=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)CC ZINC000492154895 339892891 /nfs/dbraw/zinc/89/28/91/339892891.db2.gz HDJWTEYVZSWBIN-WDKIAEPYSA-N -1 3 323.396 3.596 20 0 DHADHM C/C=C(/C=C\C(=O)NCc1ccc([O-])c(Br)c1)CC ZINC000492230405 339894883 /nfs/dbraw/zinc/89/48/83/339894883.db2.gz CKBLLNPKENQAFZ-RMPJALIQSA-N -1 3 324.218 3.683 20 0 DHADHM O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1ccc([O-])cc1F ZINC000492445823 339900787 /nfs/dbraw/zinc/90/07/87/339900787.db2.gz IHMMSCZGMRDTGG-BAQGIRSFSA-N -1 3 323.270 3.785 20 0 DHADHM O=C(/C=C/c1cc(F)c(F)c(F)c1)Nc1cccc([O-])c1F ZINC000492562548 339903983 /nfs/dbraw/zinc/90/39/83/339903983.db2.gz GZRNPDSNQHDEKO-SNAWJCMRSA-N -1 3 311.234 3.601 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000499507602 340038218 /nfs/dbraw/zinc/03/82/18/340038218.db2.gz JFYPNSJSFULLTJ-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000500047407 340049252 /nfs/dbraw/zinc/04/92/52/340049252.db2.gz IMHTWPCVSVKIRE-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)ccc1[O-] ZINC000500316365 340055056 /nfs/dbraw/zinc/05/50/56/340055056.db2.gz NBPCKFIQHXZXCI-KRWDZBQOSA-N -1 3 309.409 3.966 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000516580672 340074651 /nfs/dbraw/zinc/07/46/51/340074651.db2.gz ODFICHPTRPTZCX-UHFFFAOYSA-N -1 3 310.300 3.511 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)COCc2ccccc2)c([O-])c1 ZINC000501945703 340091153 /nfs/dbraw/zinc/09/11/53/340091153.db2.gz JBFTUAZAPSBXKD-UHFFFAOYSA-N -1 3 313.397 3.845 20 0 DHADHM CCC(CC)SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1 ZINC000502701739 340111449 /nfs/dbraw/zinc/11/14/49/340111449.db2.gz LGJUVDJKAFKJKU-UHFFFAOYSA-N -1 3 324.471 3.917 20 0 DHADHM COc1ccc(NC(=O)c2nsc3ccc(C)cc32)c([O-])c1 ZINC000504905703 340155602 /nfs/dbraw/zinc/15/56/02/340155602.db2.gz MQAPOAZSQOQABQ-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CCSc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000505334194 340166478 /nfs/dbraw/zinc/16/64/78/340166478.db2.gz XTLARAGLLPRXNZ-UHFFFAOYSA-N -1 3 305.374 3.825 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ncc(F)cc2F)c([O-])c1 ZINC000506239575 340189656 /nfs/dbraw/zinc/18/96/56/340189656.db2.gz WSOJRAGKDFRLGU-UHFFFAOYSA-N -1 3 306.312 3.615 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@@H](O)C2CCCCC2)c([O-])c1 ZINC000506244295 340189818 /nfs/dbraw/zinc/18/98/18/340189818.db2.gz WGQMFEMKMCMBJZ-INIZCTEOSA-N -1 3 305.418 3.569 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000507047137 340206165 /nfs/dbraw/zinc/20/61/65/340206165.db2.gz CPTCAKPWJDWDOP-SFHVURJKSA-N -1 3 323.348 3.513 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1nc(C)ccc1[O-] ZINC000507175055 340211202 /nfs/dbraw/zinc/21/12/02/340211202.db2.gz UGOFXHODSNMSLS-SFHVURJKSA-N -1 3 312.413 3.614 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](Nc3ccccc3)C2)c1F ZINC000508790015 340253153 /nfs/dbraw/zinc/25/31/53/340253153.db2.gz QMPBDLLIBWXWIL-CQSZACIVSA-N -1 3 318.367 3.747 20 0 DHADHM [O-]c1ccc(F)c(CN2CCOC3(C2)CCCCCC3)c1F ZINC000508856505 340254468 /nfs/dbraw/zinc/25/44/68/340254468.db2.gz NBCYQOIJXAAYDI-UHFFFAOYSA-N -1 3 311.372 3.596 20 0 DHADHM [O-]c1ccc(F)c(CN(CCC(F)(F)F)CC2CC2)c1F ZINC000509037624 340259050 /nfs/dbraw/zinc/25/90/50/340259050.db2.gz LODQAJLCYNKHBC-UHFFFAOYSA-N -1 3 309.278 3.835 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1c(F)cccc1Cl ZINC000509110729 340261580 /nfs/dbraw/zinc/26/15/80/340261580.db2.gz LOIZTFHGUMDJDD-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc([O-])c1 ZINC000509110596 340261654 /nfs/dbraw/zinc/26/16/54/340261654.db2.gz VFWIKTPHSSYWNT-KRWDZBQOSA-N -1 3 301.361 3.528 20 0 DHADHM CCCCCN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](C)CCC ZINC000509322422 340266213 /nfs/dbraw/zinc/26/62/13/340266213.db2.gz XMSLSJAFRDJZKM-ZDUSSCGKSA-N -1 3 302.422 3.779 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000509395686 340267990 /nfs/dbraw/zinc/26/79/90/340267990.db2.gz DMFLTLZMKOHIEJ-UHFFFAOYSA-N -1 3 319.860 3.924 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000509484121 340271080 /nfs/dbraw/zinc/27/10/80/340271080.db2.gz OPWHYJLHPRJJSH-MRXNPFEDSA-N -1 3 311.381 3.847 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCCSCc2ccccc2F)c1 ZINC000302528647 340275422 /nfs/dbraw/zinc/27/54/22/340275422.db2.gz DDCKMZYJLUIXLU-UHFFFAOYSA-N -1 3 319.401 3.503 20 0 DHADHM CCC(C)(C)c1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000509698555 340277406 /nfs/dbraw/zinc/27/74/06/340277406.db2.gz ORSYGWMFADOIGG-UHFFFAOYSA-N -1 3 314.385 3.741 20 0 DHADHM COc1cc(C(=O)NC[C@@H](c2ccccc2)C(C)C)ccc1[O-] ZINC000509769194 340278681 /nfs/dbraw/zinc/27/86/81/340278681.db2.gz BSVWMWOOHPCFEI-MRXNPFEDSA-N -1 3 313.397 3.570 20 0 DHADHM CCS[C@@H]1CCC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000511556594 340330511 /nfs/dbraw/zinc/33/05/11/340330511.db2.gz RGRRWJQMYHWLQL-WDEREUQCSA-N -1 3 301.402 3.824 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512030909 340345924 /nfs/dbraw/zinc/34/59/24/340345924.db2.gz MGVSHMGTZWSADA-DTWKUNHWSA-N -1 3 310.246 3.706 20 0 DHADHM CC[C@@H](CO)N(Cc1ccccc1)Cc1cccc([O-])c1Cl ZINC000512692373 340373420 /nfs/dbraw/zinc/37/34/20/340373420.db2.gz DLRGRPMAELXMJV-INIZCTEOSA-N -1 3 319.832 3.819 20 0 DHADHM COc1ccc2c(c1)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC000513040591 340390331 /nfs/dbraw/zinc/39/03/31/340390331.db2.gz JOPKAWOSYCFZDY-UHFFFAOYSA-N -1 3 317.816 3.655 20 0 DHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000176389606 340427089 /nfs/dbraw/zinc/42/70/89/340427089.db2.gz GXJPVVGWNCPJFJ-OLZOCXBDSA-N -1 3 316.376 3.523 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1noc2c1CCCCC2 ZINC000517040880 340462361 /nfs/dbraw/zinc/46/23/61/340462361.db2.gz XCTMTAKYODXDHJ-UHFFFAOYSA-N -1 3 306.749 3.555 20 0 DHADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000521047173 340479377 /nfs/dbraw/zinc/47/93/77/340479377.db2.gz RFHPNXIZTKKBSG-JTQLQIEISA-N -1 3 310.246 3.850 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1[O-] ZINC000521083577 340479973 /nfs/dbraw/zinc/47/99/73/340479973.db2.gz HVRBGBMPHYLZMJ-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM Cc1ccc(CS(=O)(=O)[N-]c2c(C)cccc2F)cc1F ZINC000184218846 340491302 /nfs/dbraw/zinc/49/13/02/340491302.db2.gz YMMCJHQBNZEBDW-UHFFFAOYSA-N -1 3 311.353 3.524 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(F)cc2OC(F)F)c1 ZINC000185611102 340503348 /nfs/dbraw/zinc/50/33/48/340503348.db2.gz OLMPFVYSUBVJTF-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM CCCC1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000523474040 340625744 /nfs/dbraw/zinc/62/57/44/340625744.db2.gz UABPDSNKHIGKIG-UHFFFAOYSA-N -1 3 308.397 3.689 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523513240 340627425 /nfs/dbraw/zinc/62/74/25/340627425.db2.gz SDUQRAINPLHPQT-DZGCQCFKSA-N -1 3 322.424 3.935 20 0 DHADHM CC[C@H](C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000303748965 340640795 /nfs/dbraw/zinc/64/07/95/340640795.db2.gz BFZCIJZSZXAEQF-SCLBCKFNSA-N -1 3 315.388 3.977 20 0 DHADHM C[C@@H](CCNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000235087032 340657062 /nfs/dbraw/zinc/65/70/62/340657062.db2.gz KQZKJEMPRXWGIA-LBPRGKRZSA-N -1 3 303.789 3.969 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(C1)CCCCC2 ZINC000528988847 340741869 /nfs/dbraw/zinc/74/18/69/340741869.db2.gz BORCYYFSLIAOLB-UHFFFAOYSA-N -1 3 324.218 3.561 20 0 DHADHM Cc1ccc(Br)cc1NC(=O)c1cccc([O-])c1 ZINC000037368549 340785174 /nfs/dbraw/zinc/78/51/74/340785174.db2.gz UBVSABSWGMBOPK-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CCCCO[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125337846 340803667 /nfs/dbraw/zinc/80/36/67/340803667.db2.gz UWAQBONHQIJEEZ-VIFPVBQESA-N -1 3 305.296 3.555 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c(Cl)c1 ZINC000538297864 340816841 /nfs/dbraw/zinc/81/68/41/340816841.db2.gz DDHLTONJHSSRKI-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c([O-])c1 ZINC000128225380 340862334 /nfs/dbraw/zinc/86/23/34/340862334.db2.gz OYSXVEYKRAQVMW-MRXNPFEDSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)o1 ZINC000539109805 340873806 /nfs/dbraw/zinc/87/38/06/340873806.db2.gz XLVCNMGXBQNHIQ-CYBMUJFWSA-N -1 3 321.442 3.623 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc(=O)[nH]1 ZINC000540452992 340931983 /nfs/dbraw/zinc/93/19/83/340931983.db2.gz JRHYNLJSTPECAV-UHFFFAOYSA-N -1 3 306.749 3.522 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000541064362 340958167 /nfs/dbraw/zinc/95/81/67/340958167.db2.gz PNSVRLPLLHANRS-UHFFFAOYSA-N -1 3 312.369 3.669 20 0 DHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000542802483 341021231 /nfs/dbraw/zinc/02/12/31/341021231.db2.gz ILQFTYMVXQTOCY-BDAKNGLRSA-N -1 3 300.196 3.775 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000543095259 341031670 /nfs/dbraw/zinc/03/16/70/341031670.db2.gz LRVHEAGMZYDNEO-CQSZACIVSA-N -1 3 304.777 3.819 20 0 DHADHM Cc1ccccc1OCc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000130620123 341033873 /nfs/dbraw/zinc/03/38/73/341033873.db2.gz IKTNFARDLHCNHB-UHFFFAOYSA-N -1 3 314.410 3.995 20 0 DHADHM Cc1ncc(CN[C@@H](c2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000543429068 341044118 /nfs/dbraw/zinc/04/41/18/341044118.db2.gz OOHYBMNLEXIYBV-QGZVFWFLSA-N -1 3 315.392 3.651 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(COC)cc3)no2)c1[O-] ZINC000544200890 341074136 /nfs/dbraw/zinc/07/41/36/341074136.db2.gz VNTGCYVNSRXLRF-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM Clc1ccc(CSc2n[n-]c(-c3ccccn3)n2)s1 ZINC000544208421 341074271 /nfs/dbraw/zinc/07/42/71/341074271.db2.gz MAKSFFXWSSFOBS-UHFFFAOYSA-N -1 3 308.819 3.874 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cccc3nccnc32)c1[O-] ZINC000544551579 341085615 /nfs/dbraw/zinc/08/56/15/341085615.db2.gz CMRZYMSIXUOLPX-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM O=c1nc(-c2ccc(Cl)o2)[n-]c2sc3c(c21)CCCC3 ZINC000131438977 341088525 /nfs/dbraw/zinc/08/85/25/341088525.db2.gz CQRDYABZUZKPFJ-UHFFFAOYSA-N -1 3 306.774 3.777 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000544843134 341096009 /nfs/dbraw/zinc/09/60/09/341096009.db2.gz NTQZVQSWYWBZPM-CYBMUJFWSA-N -1 3 319.426 3.506 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(N(C)C)cc3)no2)c1[O-] ZINC000544919553 341099371 /nfs/dbraw/zinc/09/93/71/341099371.db2.gz CWGDHHHEHFNTDE-UHFFFAOYSA-N -1 3 309.369 3.738 20 0 DHADHM O=C([N-]c1ccncc1F)c1cnc(-c2ccccc2F)s1 ZINC000132418761 341122521 /nfs/dbraw/zinc/12/25/21/341122521.db2.gz ZUBIDIYLDWGVIR-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1cccc(C)c1[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000545501851 341127554 /nfs/dbraw/zinc/12/75/54/341127554.db2.gz PDSOBJAEMNZJFL-CYBMUJFWSA-N -1 3 316.376 3.709 20 0 DHADHM Cc1cc([N-]C(=O)c2csc(Cc3ccc(C)cc3)n2)no1 ZINC000132573566 341127806 /nfs/dbraw/zinc/12/78/06/341127806.db2.gz GIMUOAFVXKXOMB-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM Cc1ncc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)o1 ZINC000074212714 341135628 /nfs/dbraw/zinc/13/56/28/341135628.db2.gz VQHAVPKDNJYDNB-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCc1cccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c1[O-] ZINC000545689398 341136419 /nfs/dbraw/zinc/13/64/19/341136419.db2.gz NSAMJQNOGRASKD-CQSZACIVSA-N -1 3 322.364 3.919 20 0 DHADHM CC(C)OCc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000546021924 341151677 /nfs/dbraw/zinc/15/16/77/341151677.db2.gz BQGNOGXLCKUIMV-UHFFFAOYSA-N -1 3 303.377 3.746 20 0 DHADHM CCc1cccc(-c2nc(Cc3ccccc3OC)no2)c1[O-] ZINC000546257102 341159851 /nfs/dbraw/zinc/15/98/51/341159851.db2.gz HPXHBJRWNZKAFR-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM C[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1F)c1ccccc1 ZINC000133399409 341174686 /nfs/dbraw/zinc/17/46/86/341174686.db2.gz WNUGCNAKTNXALV-LLVKDONJSA-N -1 3 311.353 3.510 20 0 DHADHM Cc1cccnc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000547021278 341191955 /nfs/dbraw/zinc/19/19/55/341191955.db2.gz RLXHCJOAXQGPDO-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000076516255 341208726 /nfs/dbraw/zinc/20/87/26/341208726.db2.gz XPURJELWFIAJGH-UKRRQHHQSA-N -1 3 313.372 3.858 20 0 DHADHM COCCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCC1 ZINC000134220756 341210040 /nfs/dbraw/zinc/21/00/40/341210040.db2.gz OFKDRINKKUQGMQ-UHFFFAOYSA-N -1 3 317.307 3.556 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1[O-] ZINC000135191216 341233113 /nfs/dbraw/zinc/23/31/13/341233113.db2.gz VELPHVSHBVVKJZ-HNNXBMFYSA-N -1 3 313.372 3.545 20 0 DHADHM COc1cccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])c1 ZINC000078569536 341244219 /nfs/dbraw/zinc/24/42/19/341244219.db2.gz RQVIGSHDKCFGSO-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM CN(CC(F)(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000135929092 341248394 /nfs/dbraw/zinc/24/83/94/341248394.db2.gz DPMUIJIDBSRWTJ-UHFFFAOYSA-N -1 3 323.314 3.617 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1nc2ccccc2s1 ZINC000136096633 341252671 /nfs/dbraw/zinc/25/26/71/341252671.db2.gz XQSMRKQPPWMOHM-UHFFFAOYSA-N -1 3 318.785 3.837 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2c2ccccc2C)c1[O-] ZINC000079138408 341254380 /nfs/dbraw/zinc/25/43/80/341254380.db2.gz CYQWBXSFTIWSDL-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM C[C@@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000550548079 341318422 /nfs/dbraw/zinc/31/84/22/341318422.db2.gz LPJGHKGJRVKZKH-LBPRGKRZSA-N -1 3 303.789 3.921 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245967064 341320299 /nfs/dbraw/zinc/32/02/99/341320299.db2.gz YVTRNGHEQBHUFV-QLFBSQMISA-N -1 3 305.393 3.754 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(F)c1 ZINC000085591411 341371341 /nfs/dbraw/zinc/37/13/41/341371341.db2.gz SOFPEILZQUVXDF-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1oc(C2CC2)nc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000552151569 341373878 /nfs/dbraw/zinc/37/38/78/341373878.db2.gz YIIVFDZEKRBSJF-JTQLQIEISA-N -1 3 312.369 3.720 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1[O-] ZINC000552287144 341384423 /nfs/dbraw/zinc/38/44/23/341384423.db2.gz JQVUULZVYWCZRO-UHFFFAOYSA-N -1 3 319.360 3.929 20 0 DHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C ZINC000248722302 341385203 /nfs/dbraw/zinc/38/52/03/341385203.db2.gz GZLLVDHMXZEKND-BFVZDQMLSA-N -1 3 315.335 3.966 20 0 DHADHM CCSc1cc(C(=O)Nc2c([O-])cccc2Cl)ccn1 ZINC000552432329 341393393 /nfs/dbraw/zinc/39/33/93/341393393.db2.gz BUCARBHXRAVTMD-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM C[C@H](CNc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564504699 341502762 /nfs/dbraw/zinc/50/27/62/341502762.db2.gz LCMYMJRDDODDHD-CQSZACIVSA-N -1 3 320.392 3.776 20 0 DHADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000565509957 341529615 /nfs/dbraw/zinc/52/96/15/341529615.db2.gz BFCJWPLAPITLBE-MRXNPFEDSA-N -1 3 301.773 3.771 20 0 DHADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000565509951 341529626 /nfs/dbraw/zinc/52/96/26/341529626.db2.gz BFCJWPLAPITLBE-INIZCTEOSA-N -1 3 301.773 3.771 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000567335780 341596214 /nfs/dbraw/zinc/59/62/14/341596214.db2.gz DYIPXGBPXJALKD-INWMFGNUSA-N -1 3 305.393 3.501 20 0 DHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000568320844 341665280 /nfs/dbraw/zinc/66/52/80/341665280.db2.gz NZNAUFOVBRFCMY-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(=O)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1Cl ZINC000573278332 341723513 /nfs/dbraw/zinc/72/35/13/341723513.db2.gz KLAPPHSVIYJOIY-UHFFFAOYSA-N -1 3 316.719 3.998 20 0 DHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000574772009 341768530 /nfs/dbraw/zinc/76/85/30/341768530.db2.gz WTKZGNXIEDTMNZ-FOIQADDNSA-N -1 3 324.424 3.638 20 0 DHADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000576761387 341862005 /nfs/dbraw/zinc/86/20/05/341862005.db2.gz KIMXPSJGYOUHIF-BHDSKKPTSA-N -1 3 314.212 3.851 20 0 DHADHM C[C@H]1[C@H](c2nc(-c3ccc([O-])cc3)no2)CCN1c1ccccc1 ZINC000577246442 341899936 /nfs/dbraw/zinc/89/99/36/341899936.db2.gz GJGXSHFZXZNCRF-SUMWQHHRSA-N -1 3 321.380 3.825 20 0 DHADHM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3)no2)CCN1c1ccccc1 ZINC000577246440 341899958 /nfs/dbraw/zinc/89/99/58/341899958.db2.gz GJGXSHFZXZNCRF-DYVFJYSZSA-N -1 3 321.380 3.825 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(N2CCCCC2)cc1 ZINC000178325783 341951729 /nfs/dbraw/zinc/95/17/29/341951729.db2.gz KWRUGNWKRZXQBV-UHFFFAOYSA-N -1 3 314.360 3.774 20 0 DHADHM CC(C)(C)[C@@H](CNCc1coc(-c2ccccc2)n1)CC(=O)[O-] ZINC000426640686 517384651 /nfs/dbraw/zinc/38/46/51/517384651.db2.gz UBVRIWZEUZMUJA-CQSZACIVSA-N -1 3 316.401 3.568 20 0 DHADHM CC(C)(C)c1csc([C@H]([N-]C(=O)C(F)F)c2ccccc2)n1 ZINC000365115607 519088052 /nfs/dbraw/zinc/08/80/52/519088052.db2.gz GXBMOZGAZDRZQD-GFCCVEGCSA-N -1 3 324.396 3.911 20 0 DHADHM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000105390172 519788060 /nfs/dbraw/zinc/78/80/60/519788060.db2.gz CQECKMKAQUKKLC-UHFFFAOYSA-N -1 3 305.852 3.745 20 0 DHADHM CCC[C@H](C(=O)N1CCCc2cccc([O-])c21)c1ccccn1 ZINC000339346569 520972793 /nfs/dbraw/zinc/97/27/93/520972793.db2.gz CGVCZZXNWWQCHJ-HNNXBMFYSA-N -1 3 310.397 3.650 20 0 DHADHM CCN(Cc1ccccc1C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163671491 521378264 /nfs/dbraw/zinc/37/82/64/521378264.db2.gz CFDVKWCFNPVWSQ-UHFFFAOYSA-N -1 3 316.376 3.571 20 0 DHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000183077724 521644399 /nfs/dbraw/zinc/64/43/99/521644399.db2.gz QGAHMZMYPKMBAW-UHFFFAOYSA-N -1 3 301.390 3.819 20 0 DHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000181535756 521644429 /nfs/dbraw/zinc/64/44/29/521644429.db2.gz VYLLGQOYKIKMNH-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC000340677748 534616858 /nfs/dbraw/zinc/61/68/58/534616858.db2.gz LUJMJLLSTOZSIR-CQSZACIVSA-N -1 3 316.401 3.711 20 0 DHADHM COC[C@H]1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000265840980 522842660 /nfs/dbraw/zinc/84/26/60/522842660.db2.gz NYZPLSZJXLFJTB-AWEZNQCLSA-N -1 3 319.445 3.748 20 0 DHADHM C[C@@H](CCC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000162857453 524440794 /nfs/dbraw/zinc/44/07/94/524440794.db2.gz GSBATAZJXYMOJN-ZDUSSCGKSA-N -1 3 301.361 3.731 20 0 DHADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cccc([O-])c1 ZINC000338339539 524690481 /nfs/dbraw/zinc/69/04/81/524690481.db2.gz ZEBJKTWWNBQPIP-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM Cc1ccncc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000104452979 525762332 /nfs/dbraw/zinc/76/23/32/525762332.db2.gz WOBHAJYCBSHFAB-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1c([C@@H](C)[N-]c2nc(-c3cccc(Cl)c3)no2)cnn1C ZINC000180399233 525905031 /nfs/dbraw/zinc/90/50/31/525905031.db2.gz QKARZWCDSFFXDK-SECBINFHSA-N -1 3 317.780 3.605 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000189189381 526583841 /nfs/dbraw/zinc/58/38/41/526583841.db2.gz RJYRFCZEEHTNNE-UHFFFAOYSA-N -1 3 303.362 3.608 20 0 DHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCC(=O)[O-] ZINC000237612832 526605480 /nfs/dbraw/zinc/60/54/80/526605480.db2.gz XUDHDFTYBXWSHQ-LBPRGKRZSA-N -1 3 304.415 3.586 20 0 DHADHM Cc1noc([N-]C(=O)c2ccc(-c3ccc(C)cc3)cc2F)n1 ZINC000106748078 526639751 /nfs/dbraw/zinc/63/97/51/526639751.db2.gz AVZODISXHVZNOH-UHFFFAOYSA-N -1 3 311.316 3.745 20 0 DHADHM O=C(N[C@H]1COc2cccc(Cl)c21)c1cc([O-])ccc1Cl ZINC000365670077 527075324 /nfs/dbraw/zinc/07/53/24/527075324.db2.gz VNKZNCCZMDFAOB-LBPRGKRZSA-N -1 3 324.163 3.563 20 0 DHADHM FC(F)SCc1ccc(C[N-]c2nc(C3CC3)no2)o1 ZINC000181859724 527697629 /nfs/dbraw/zinc/69/76/29/527697629.db2.gz VZCOTNGSDCOLDC-UHFFFAOYSA-N -1 3 301.318 3.608 20 0 DHADHM Cc1nn(C)cc1[C@@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000189602240 527697641 /nfs/dbraw/zinc/69/76/41/527697641.db2.gz KDCMKZZNIVMEGZ-SECBINFHSA-N -1 3 317.780 3.605 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cccc(F)c2F)no1 ZINC000274393981 534989537 /nfs/dbraw/zinc/98/95/37/534989537.db2.gz DDFJSNHISMEKKE-UHFFFAOYSA-N -1 3 310.300 3.520 20 0 DHADHM CC(C)CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299346863 535023554 /nfs/dbraw/zinc/02/35/54/535023554.db2.gz PKZMVTDUBMITNQ-UHFFFAOYSA-N -1 3 317.414 3.745 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2oc(C(C)C)nc2C)s1 ZINC000292549562 535147576 /nfs/dbraw/zinc/14/75/76/535147576.db2.gz RJZSYPDGUDLTPS-UHFFFAOYSA-N -1 3 322.434 3.943 20 0 DHADHM CCS[C@@H]1CCCC[C@H]1NCc1nc(=O)c2sccc2[n-]1 ZINC000299407967 535707257 /nfs/dbraw/zinc/70/72/57/535707257.db2.gz SRRNJKQVVXGAAG-ZYHUDNBSSA-N -1 3 323.487 3.551 20 0 DHADHM c1ccc2nc(CSc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000738440435 598892765 /nfs/dbraw/zinc/89/27/65/598892765.db2.gz FCRMQUCKNWIABQ-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2nc(CSc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000738440435 598892767 /nfs/dbraw/zinc/89/27/67/598892767.db2.gz FCRMQUCKNWIABQ-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM Cc1ccc(C)c(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737322217 599064692 /nfs/dbraw/zinc/06/46/92/599064692.db2.gz KGDVABPEDKWQRP-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1ccc(C)c(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737322217 599064689 /nfs/dbraw/zinc/06/46/89/599064689.db2.gz KGDVABPEDKWQRP-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Fc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737648876 599167331 /nfs/dbraw/zinc/16/73/31/599167331.db2.gz KOFNRFHBOWGIFN-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737648876 599167334 /nfs/dbraw/zinc/16/73/34/599167334.db2.gz KOFNRFHBOWGIFN-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Cc1cccc(C)c1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737390347 599167734 /nfs/dbraw/zinc/16/77/34/599167734.db2.gz PGANGKSABSOLDQ-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1cccc(C)c1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737390347 599167736 /nfs/dbraw/zinc/16/77/36/599167736.db2.gz PGANGKSABSOLDQ-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000736191505 599168461 /nfs/dbraw/zinc/16/84/61/599168461.db2.gz JMYABIHEPZBYJB-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000736191505 599168463 /nfs/dbraw/zinc/16/84/63/599168463.db2.gz JMYABIHEPZBYJB-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000736191502 599168533 /nfs/dbraw/zinc/16/85/33/599168533.db2.gz JMYABIHEPZBYJB-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000736191502 599168536 /nfs/dbraw/zinc/16/85/36/599168536.db2.gz JMYABIHEPZBYJB-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM CCCCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821077842 607307599 /nfs/dbraw/zinc/30/75/99/607307599.db2.gz VYZFANYFGSNSKM-UHFFFAOYSA-N -1 3 313.430 3.883 20 0 DHADHM O=C([O-])CCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000821521550 597798993 /nfs/dbraw/zinc/79/89/93/597798993.db2.gz JEHVIFRIFMVBKR-KRWDZBQOSA-N -1 3 318.804 3.669 20 0 DHADHM Cc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737330395 598237126 /nfs/dbraw/zinc/23/71/26/598237126.db2.gz JIYIDSJHBZSBCG-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737330395 598237127 /nfs/dbraw/zinc/23/71/27/598237127.db2.gz JIYIDSJHBZSBCG-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737647372 598313742 /nfs/dbraw/zinc/31/37/42/598313742.db2.gz CTTPMQKMFMGMOM-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737647372 598313740 /nfs/dbraw/zinc/31/37/40/598313740.db2.gz CTTPMQKMFMGMOM-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1csc2ccccc12 ZINC000736138855 598362810 /nfs/dbraw/zinc/36/28/10/598362810.db2.gz RXGNZLHLLRJZKG-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1csc2ccccc12 ZINC000736138855 598362812 /nfs/dbraw/zinc/36/28/12/598362812.db2.gz RXGNZLHLLRJZKG-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(F)cc1Cl ZINC000737222468 598395775 /nfs/dbraw/zinc/39/57/75/598395775.db2.gz ZUEBOMCJLMFGBA-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM CCCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736464198 598522633 /nfs/dbraw/zinc/52/26/33/598522633.db2.gz WTZKTLYJNNAPRX-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM CCCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736464198 598522634 /nfs/dbraw/zinc/52/26/34/598522634.db2.gz WTZKTLYJNNAPRX-UHFFFAOYSA-N -1 3 323.400 3.658 20 0 DHADHM Fc1ccc(CSc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000737647336 598643240 /nfs/dbraw/zinc/64/32/40/598643240.db2.gz BZBKWEBWLHWOKD-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(CSc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000737647336 598643241 /nfs/dbraw/zinc/64/32/41/598643241.db2.gz BZBKWEBWLHWOKD-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(CSc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000737650291 598643757 /nfs/dbraw/zinc/64/37/57/598643757.db2.gz QIDQBNALRRPSNP-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(CSc2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000737650291 598643759 /nfs/dbraw/zinc/64/37/59/598643759.db2.gz QIDQBNALRRPSNP-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM c1cc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cs1 ZINC000738405372 598778756 /nfs/dbraw/zinc/77/87/56/598778756.db2.gz NKIKHHNKZNBNLQ-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM c1cc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cs1 ZINC000738405372 598778758 /nfs/dbraw/zinc/77/87/58/598778758.db2.gz NKIKHHNKZNBNLQ-UHFFFAOYSA-N -1 3 311.395 3.719 20 0 DHADHM Cc1ccc([C@@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737322570 598815283 /nfs/dbraw/zinc/81/52/83/598815283.db2.gz ZLESGGZXPMNRPK-GFCCVEGCSA-N -1 3 311.364 3.512 20 0 DHADHM Cc1ccc([C@@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737322570 598815285 /nfs/dbraw/zinc/81/52/85/598815285.db2.gz ZLESGGZXPMNRPK-GFCCVEGCSA-N -1 3 311.364 3.512 20 0 DHADHM CC1(C)CN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736213711 598815366 /nfs/dbraw/zinc/81/53/66/598815366.db2.gz MZZJCJFCPFVDQZ-INIZCTEOSA-N -1 3 323.375 3.593 20 0 DHADHM CC1(C)CN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000736213711 598815367 /nfs/dbraw/zinc/81/53/67/598815367.db2.gz MZZJCJFCPFVDQZ-INIZCTEOSA-N -1 3 323.375 3.593 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c(C)c1 ZINC000737343612 599413043 /nfs/dbraw/zinc/41/30/43/599413043.db2.gz ZVWZGPRPXFPSMT-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c(C)c1 ZINC000737343612 599413044 /nfs/dbraw/zinc/41/30/44/599413044.db2.gz ZVWZGPRPXFPSMT-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1ccsc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737442841 599418766 /nfs/dbraw/zinc/41/87/66/599418766.db2.gz QMZNXZRNRLTNQC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccsc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737442841 599418769 /nfs/dbraw/zinc/41/87/69/599418769.db2.gz QMZNXZRNRLTNQC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCc2ccccc21 ZINC000822582853 599468186 /nfs/dbraw/zinc/46/81/86/599468186.db2.gz YROOLGWVDHIOFQ-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCc2ccccc21 ZINC000822582853 599468187 /nfs/dbraw/zinc/46/81/87/599468187.db2.gz YROOLGWVDHIOFQ-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000736718622 599893801 /nfs/dbraw/zinc/89/38/01/599893801.db2.gz RTZMGELHXBXBRT-CXAGYDPISA-N -1 3 315.369 3.502 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000263511717 600092603 /nfs/dbraw/zinc/09/26/03/600092603.db2.gz YZKLWCIQCRGFAU-LLVKDONJSA-N -1 3 304.415 3.651 20 0 DHADHM CCC[C@](C)(NCc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000736962486 600321515 /nfs/dbraw/zinc/32/15/15/600321515.db2.gz LBRCEJKXCGMKRN-INIZCTEOSA-N -1 3 310.463 3.924 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000736661982 600417104 /nfs/dbraw/zinc/41/71/04/600417104.db2.gz KJAZCHGXQQYYQZ-RFAUZJTJSA-N -1 3 309.287 3.580 20 0 DHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737031136 600424749 /nfs/dbraw/zinc/42/47/49/600424749.db2.gz HQSKTVGQNSZVRH-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000736717669 600643396 /nfs/dbraw/zinc/64/33/96/600643396.db2.gz PEQJOWWVUUEETJ-HIFRSBDPSA-N -1 3 315.369 3.582 20 0 DHADHM C[C@@H]1C[C@@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000568066982 600716316 /nfs/dbraw/zinc/71/63/16/600716316.db2.gz IZJPJZSIZYXJCH-VXGBXAGGSA-N -1 3 316.426 3.739 20 0 DHADHM Cc1ccc(SCCN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832957166 600733221 /nfs/dbraw/zinc/73/32/21/600733221.db2.gz BIDQSUHHWCPVAE-INIZCTEOSA-N -1 3 319.401 3.642 20 0 DHADHM Cc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832966662 600750736 /nfs/dbraw/zinc/75/07/36/600750736.db2.gz VOSNRCFBAAKQLX-GUYCJALGSA-N -1 3 301.361 3.919 20 0 DHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccoc2C(=O)[O-])o1 ZINC000652438735 600857744 /nfs/dbraw/zinc/85/77/44/600857744.db2.gz AYPWLRWHRDKHFT-FZMZJTMJSA-N -1 3 303.358 3.852 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000577226550 600973058 /nfs/dbraw/zinc/97/30/58/600973058.db2.gz LSENFYWSPKQRLO-HOTGVXAUSA-N -1 3 321.417 3.538 20 0 DHADHM C/C(=C/CN(Cc1ccccc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000825729810 601157795 /nfs/dbraw/zinc/15/77/95/601157795.db2.gz MZVJTIIFJCHMAF-FLIBITNWSA-N -1 3 313.319 3.701 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1CCCC(=O)[O-] ZINC000262265937 601178435 /nfs/dbraw/zinc/17/84/35/601178435.db2.gz RZHAGYXIIWBRPK-MRXNPFEDSA-N -1 3 315.417 3.619 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226429898 601513680 /nfs/dbraw/zinc/51/36/80/601513680.db2.gz SCMGYFPVCKUMRU-KKZNHRDASA-N -1 3 302.201 3.707 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN(CCC(F)(F)F)CC1CC1 ZINC000576950023 601610912 /nfs/dbraw/zinc/61/09/12/601610912.db2.gz AKROFRWNERAKAB-UHFFFAOYSA-N -1 3 319.298 3.688 20 0 DHADHM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830249522 601614156 /nfs/dbraw/zinc/61/41/56/601614156.db2.gz IMHCJMMTKFPJJX-UHFFFAOYSA-N -1 3 301.361 3.718 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000572180816 601616583 /nfs/dbraw/zinc/61/65/83/601616583.db2.gz NXQANWNAJZKEPA-LBPRGKRZSA-N -1 3 317.360 3.726 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC000833313487 601630190 /nfs/dbraw/zinc/63/01/90/601630190.db2.gz WWUXOFOHUZXGNC-CQSZACIVSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([O-])c1sccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000565721078 601805244 /nfs/dbraw/zinc/80/52/44/601805244.db2.gz LWBYWRCWFDNGRM-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM Cc1ccccc1CN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000832978738 601810838 /nfs/dbraw/zinc/81/08/38/601810838.db2.gz FQDAMLNMWZOYPY-UHFFFAOYSA-N -1 3 301.411 3.919 20 0 DHADHM O=C([O-])[C@H](NCc1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000833170321 601973908 /nfs/dbraw/zinc/97/39/08/601973908.db2.gz SEBQYAIOUJFYLA-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM c1sc(Cc2ccccc2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826521925 607645837 /nfs/dbraw/zinc/64/58/37/607645837.db2.gz DHFDSILQQTZVHI-UHFFFAOYSA-N -1 3 319.393 3.581 20 0 DHADHM c1sc(Cc2ccccc2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826521925 607645839 /nfs/dbraw/zinc/64/58/39/607645839.db2.gz DHFDSILQQTZVHI-UHFFFAOYSA-N -1 3 319.393 3.581 20 0 DHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000827728240 604287856 /nfs/dbraw/zinc/28/78/56/604287856.db2.gz QDMRNHKGGOFDOI-ZJUUUORDSA-N -1 3 317.216 3.786 20 0 DHADHM C[C@H](c1cccs1)N(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833537734 604541886 /nfs/dbraw/zinc/54/18/86/604541886.db2.gz OKEKDSYQLRWQFD-OLZOCXBDSA-N -1 3 319.426 3.793 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000826106152 604628654 /nfs/dbraw/zinc/62/86/54/604628654.db2.gz TUEFSUTZIXLOMR-INIZCTEOSA-N -1 3 301.361 3.767 20 0 DHADHM O=C([O-])[C@@H]1CC12CCN(Cc1c(Cl)oc3ccccc31)CC2 ZINC000833771982 604651041 /nfs/dbraw/zinc/65/10/41/604651041.db2.gz WNCJEHKDNGELRV-ZDUSSCGKSA-N -1 3 319.788 3.773 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(Nc2ccccc2)n1 ZINC000828671969 604668175 /nfs/dbraw/zinc/66/81/75/604668175.db2.gz JJQPVEQFGLHUSO-INIZCTEOSA-N -1 3 319.430 3.620 20 0 DHADHM C[C@]1(NCc2cc(-c3cccs3)on2)CCCC[C@H]1C(=O)[O-] ZINC000833569698 604819432 /nfs/dbraw/zinc/81/94/32/604819432.db2.gz LADRKAAXIRFRFT-LRDDRELGSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498337 604951967 /nfs/dbraw/zinc/95/19/67/604951967.db2.gz FFLGHNGRDGPRCW-CHWSQXEVSA-N -1 3 322.449 3.856 20 0 DHADHM CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)C ZINC000569934277 605203555 /nfs/dbraw/zinc/20/35/55/605203555.db2.gz GOPXZYDALBKNPJ-UHFFFAOYSA-N -1 3 302.374 3.518 20 0 DHADHM C[C@H]1CCCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000576114251 605211082 /nfs/dbraw/zinc/21/10/82/605211082.db2.gz QRHIHSOUCNMLET-ZDUSSCGKSA-N -1 3 314.385 3.804 20 0 DHADHM C[C@@H](c1ccco1)N(CCOc1ccccc1C(=O)[O-])C1CC1 ZINC000578995734 605214733 /nfs/dbraw/zinc/21/47/33/605214733.db2.gz RTCXABWNJNDLLC-ZDUSSCGKSA-N -1 3 315.369 3.582 20 0 DHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1 ZINC000833606486 605701020 /nfs/dbraw/zinc/70/10/20/605701020.db2.gz QFKPFZAXJOFBHS-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833669427 605838550 /nfs/dbraw/zinc/83/85/50/605838550.db2.gz WUNCYFAWIJPLCM-ZIAGYGMSSA-N -1 3 311.422 3.630 20 0 DHADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)s1 ZINC000820925146 606103134 /nfs/dbraw/zinc/10/31/34/606103134.db2.gz FACGTSLXEWAXPS-VIFPVBQESA-N -1 3 320.809 3.540 20 0 DHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)s1 ZINC000820925146 606103137 /nfs/dbraw/zinc/10/31/37/606103137.db2.gz FACGTSLXEWAXPS-VIFPVBQESA-N -1 3 320.809 3.540 20 0 DHADHM C[C@H]1c2ccccc2CN1c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820825910 606137387 /nfs/dbraw/zinc/13/73/87/606137387.db2.gz HBTNJPSAYYTCDF-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@H]1c2ccccc2CN1c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820825910 606137388 /nfs/dbraw/zinc/13/73/88/606137388.db2.gz HBTNJPSAYYTCDF-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821050864 606266126 /nfs/dbraw/zinc/26/61/26/606266126.db2.gz UXRRYMJKIXKYJY-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821050864 606266128 /nfs/dbraw/zinc/26/61/28/606266128.db2.gz UXRRYMJKIXKYJY-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822786481 606330084 /nfs/dbraw/zinc/33/00/84/606330084.db2.gz LBTSZIOVSOXTBO-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822786481 606330086 /nfs/dbraw/zinc/33/00/86/606330086.db2.gz LBTSZIOVSOXTBO-HNNXBMFYSA-N -1 3 312.373 3.785 20 0 DHADHM Cc1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000822280284 606389428 /nfs/dbraw/zinc/38/94/28/606389428.db2.gz JPRMYKTUFXNNFZ-AATRIKPKSA-N -1 3 319.393 3.955 20 0 DHADHM CCCCCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821043041 606602094 /nfs/dbraw/zinc/60/20/94/606602094.db2.gz LBUIJBVBDJXACQ-UHFFFAOYSA-N -1 3 315.421 3.720 20 0 DHADHM CCCCCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821043041 606602095 /nfs/dbraw/zinc/60/20/95/606602095.db2.gz LBUIJBVBDJXACQ-UHFFFAOYSA-N -1 3 315.421 3.720 20 0 DHADHM Clc1cc(Cl)cc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822567783 606636591 /nfs/dbraw/zinc/63/65/91/606636591.db2.gz HNHUSDIMHLDAFO-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cc(Cl)cc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822567783 606636592 /nfs/dbraw/zinc/63/65/92/606636592.db2.gz HNHUSDIMHLDAFO-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CC(C)(C)c1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000819958832 606641349 /nfs/dbraw/zinc/64/13/49/606641349.db2.gz RAEQCUMBXPXACF-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000819958832 606641350 /nfs/dbraw/zinc/64/13/50/606641350.db2.gz RAEQCUMBXPXACF-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM Cc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000822351542 606643760 /nfs/dbraw/zinc/64/37/60/606643760.db2.gz NZDBTHUNJOKIQK-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000822351542 606643761 /nfs/dbraw/zinc/64/37/61/606643761.db2.gz NZDBTHUNJOKIQK-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM CC(C)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820197730 606925172 /nfs/dbraw/zinc/92/51/72/606925172.db2.gz MZXNVESFZLYAKD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820197730 606925175 /nfs/dbraw/zinc/92/51/75/606925175.db2.gz MZXNVESFZLYAKD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1c(C)sc(NC(=O)CC(CC)CC)c1-c1nnn[n-]1 ZINC000821466495 607089119 /nfs/dbraw/zinc/08/91/19/607089119.db2.gz YAEZKOZCCCUDKJ-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM CCc1c(C)sc(NC(=O)CC(CC)CC)c1-c1nn[n-]n1 ZINC000821466495 607089121 /nfs/dbraw/zinc/08/91/21/607089121.db2.gz YAEZKOZCCCUDKJ-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM CCC(CC)[C@H](C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825095201 608058977 /nfs/dbraw/zinc/05/89/77/608058977.db2.gz FWUBTFIAECNVBW-VIFPVBQESA-N -1 3 321.450 3.556 20 0 DHADHM CCC(CC)[C@H](C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825095201 608058978 /nfs/dbraw/zinc/05/89/78/608058978.db2.gz FWUBTFIAECNVBW-VIFPVBQESA-N -1 3 321.450 3.556 20 0 DHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825342189 608529754 /nfs/dbraw/zinc/52/97/54/608529754.db2.gz QLBLYSXBAKMYLM-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825342189 608529756 /nfs/dbraw/zinc/52/97/56/608529756.db2.gz QLBLYSXBAKMYLM-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1ccccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826307307 609156751 /nfs/dbraw/zinc/15/67/51/609156751.db2.gz CDBPRJOEKVLCAW-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826307307 609156753 /nfs/dbraw/zinc/15/67/53/609156753.db2.gz CDBPRJOEKVLCAW-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826307306 609156800 /nfs/dbraw/zinc/15/68/00/609156800.db2.gz CDBPRJOEKVLCAW-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826307306 609156802 /nfs/dbraw/zinc/15/68/02/609156802.db2.gz CDBPRJOEKVLCAW-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825717179 609160894 /nfs/dbraw/zinc/16/08/94/609160894.db2.gz IIWNKEWHSZIXBZ-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825717179 609160896 /nfs/dbraw/zinc/16/08/96/609160896.db2.gz IIWNKEWHSZIXBZ-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC000826291590 609253862 /nfs/dbraw/zinc/25/38/62/609253862.db2.gz MTWWEXUZLTYSOT-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC000826291590 609253864 /nfs/dbraw/zinc/25/38/64/609253864.db2.gz MTWWEXUZLTYSOT-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1c(F)cccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826240780 609273989 /nfs/dbraw/zinc/27/39/89/609273989.db2.gz HGMXQUATIMCFJH-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1c(F)cccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826240780 609273990 /nfs/dbraw/zinc/27/39/90/609273990.db2.gz HGMXQUATIMCFJH-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826268235 609274080 /nfs/dbraw/zinc/27/40/80/609274080.db2.gz PDYWKQSRPLAJIA-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826268235 609274082 /nfs/dbraw/zinc/27/40/82/609274082.db2.gz PDYWKQSRPLAJIA-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(C)C)cc1 ZINC000826278414 609482280 /nfs/dbraw/zinc/48/22/80/609482280.db2.gz AYNLVQFTMNQVSL-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(C)C)cc1 ZINC000826278414 609482281 /nfs/dbraw/zinc/48/22/81/609482281.db2.gz AYNLVQFTMNQVSL-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1cccnc1 ZINC000824753621 946925854 /nfs/dbraw/zinc/92/58/54/946925854.db2.gz FVZRHXXPIJBVHR-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1cccnc1 ZINC000824753621 946925864 /nfs/dbraw/zinc/92/58/64/946925864.db2.gz FVZRHXXPIJBVHR-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825735677 947303018 /nfs/dbraw/zinc/30/30/18/947303018.db2.gz SKWQXRWMIFGGGD-OLZOCXBDSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825735677 947303031 /nfs/dbraw/zinc/30/30/31/947303031.db2.gz SKWQXRWMIFGGGD-OLZOCXBDSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825735754 947303087 /nfs/dbraw/zinc/30/30/87/947303087.db2.gz UMEGTFGQORXCFK-QWHCGFSZSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825735754 947303094 /nfs/dbraw/zinc/30/30/94/947303094.db2.gz UMEGTFGQORXCFK-QWHCGFSZSA-N -1 3 307.401 3.731 20 0 DHADHM C/C(=C/c1ccccc1)CNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001573364685 947725578 /nfs/dbraw/zinc/72/55/78/947725578.db2.gz IMHRGOINEDEOQZ-ZSOIEALJSA-N -1 3 305.385 3.691 20 0 DHADHM C/C(=C/c1ccccc1)CNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001573364685 947725581 /nfs/dbraw/zinc/72/55/81/947725581.db2.gz IMHRGOINEDEOQZ-ZSOIEALJSA-N -1 3 305.385 3.691 20 0 DHADHM Cc1ccnc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826312191 947904748 /nfs/dbraw/zinc/90/47/48/947904748.db2.gz XSXSQWCJCKIBIG-INIZCTEOSA-N -1 3 320.400 3.523 20 0 DHADHM Cc1ccnc(N[C@@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826312191 947904754 /nfs/dbraw/zinc/90/47/54/947904754.db2.gz XSXSQWCJCKIBIG-INIZCTEOSA-N -1 3 320.400 3.523 20 0 DHADHM Cl/C=C(/Cl)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826350079 948094932 /nfs/dbraw/zinc/09/49/32/948094932.db2.gz HLANUHPFLNJIEC-GQCTYLIASA-N -1 3 321.620 3.931 20 0 DHADHM Cl/C=C(/Cl)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826350079 948094943 /nfs/dbraw/zinc/09/49/43/948094943.db2.gz HLANUHPFLNJIEC-GQCTYLIASA-N -1 3 321.620 3.931 20 0 DHADHM O=C(CCCOc1ccc(F)cc1F)[N-]OC1CCCCC1 ZINC000777963932 1032059892 /nfs/dbraw/zinc/05/98/92/1032059892.db2.gz FGROPCUFGXFUDL-UHFFFAOYSA-N -1 3 313.344 3.504 20 0 DHADHM C[C@@H]1CCCC[C@H]1CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576170112 949704124 /nfs/dbraw/zinc/70/41/24/949704124.db2.gz KPMHCNKYBTXFDD-OCCSQVGLSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@@H]1CCCC[C@H]1CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576170112 949704142 /nfs/dbraw/zinc/70/41/42/949704142.db2.gz KPMHCNKYBTXFDD-OCCSQVGLSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424425367 953482562 /nfs/dbraw/zinc/48/25/62/953482562.db2.gz YORVDKHWSYDFSW-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001593760694 954484648 /nfs/dbraw/zinc/48/46/48/954484648.db2.gz URMFIEFTMGGIDD-UHFFFAOYSA-N -1 3 321.323 3.618 20 0 DHADHM CC(C)Oc1ccccc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603086642 972159142 /nfs/dbraw/zinc/15/91/42/972159142.db2.gz JVNTWHLRZWZWET-LJQANCHMSA-N -1 3 313.397 3.563 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC001594304867 957960536 /nfs/dbraw/zinc/96/05/36/957960536.db2.gz XCFRYKJFRLCQCW-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1nc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2s1 ZINC001594464223 959491380 /nfs/dbraw/zinc/49/13/80/959491380.db2.gz MDOXLLHNVNHBPH-UHFFFAOYSA-N -1 3 312.394 3.593 20 0 DHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000625254898 1013359514 /nfs/dbraw/zinc/35/95/14/1013359514.db2.gz WUJZWDJJOAJQTJ-UWVGGRQHSA-N -1 3 312.207 3.558 20 0 DHADHM O=C(NC[C@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000340161775 1013377646 /nfs/dbraw/zinc/37/76/46/1013377646.db2.gz LEHQSRZXKSTJLI-GFCCVEGCSA-N -1 3 301.773 3.505 20 0 DHADHM OCc1cc(F)c([N-]c2snnc2-c2ccccc2)c(F)c1 ZINC001214088116 1013410087 /nfs/dbraw/zinc/41/00/87/1013410087.db2.gz CWCNPQBPVKSAGX-UHFFFAOYSA-N -1 3 319.336 3.719 20 0 DHADHM CC(=O)N(c1ccc(NCc2ccc([O-])c(F)c2)cc1)C1CC1 ZINC000894641011 1013440353 /nfs/dbraw/zinc/44/03/53/1013440353.db2.gz BNNUYPWMGOWVIV-UHFFFAOYSA-N -1 3 314.360 3.659 20 0 DHADHM [O-]C(=NOCC(F)F)Nc1ncc(C2CCCCC2)s1 ZINC000760029238 1013646882 /nfs/dbraw/zinc/64/68/82/1013646882.db2.gz CGQGATGQXOLBKH-UHFFFAOYSA-N -1 3 305.350 3.509 20 0 DHADHM O=C([N-]OCC(F)F)Nc1ncc(C2CCCCC2)s1 ZINC000760029238 1013646887 /nfs/dbraw/zinc/64/68/87/1013646887.db2.gz CGQGATGQXOLBKH-UHFFFAOYSA-N -1 3 305.350 3.509 20 0 DHADHM CCc1ccccc1Cc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000683599216 1013713826 /nfs/dbraw/zinc/71/38/26/1013713826.db2.gz UJPDNTSXNYBIGX-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000117314551 967613581 /nfs/dbraw/zinc/61/35/81/967613581.db2.gz UCALXGUCXSNKKK-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM COc1cc(Cl)ccc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424263684 968354803 /nfs/dbraw/zinc/35/48/03/968354803.db2.gz SCPZJSWXKBLRGZ-AWEZNQCLSA-N -1 3 311.809 3.568 20 0 DHADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(C(C)C)s2)cs1 ZINC000049486108 1013793752 /nfs/dbraw/zinc/79/37/52/1013793752.db2.gz PGZFZIVXYUINAT-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000330846804 1013845000 /nfs/dbraw/zinc/84/50/00/1013845000.db2.gz YNRIEZBJMYOJSM-XHDPSFHLSA-N -1 3 311.809 3.825 20 0 DHADHM COc1cccc(-c2nc(-c3cc(C)cc(F)c3)no2)c1[O-] ZINC000317303831 1013888564 /nfs/dbraw/zinc/88/85/64/1013888564.db2.gz UNIIRHSLLFANFB-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c([O-])c1 ZINC000127613557 1013905715 /nfs/dbraw/zinc/90/57/15/1013905715.db2.gz GBXVQETYLUNVIX-HNNXBMFYSA-N -1 3 315.369 3.670 20 0 DHADHM COc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1C ZINC000041507877 1013928958 /nfs/dbraw/zinc/92/89/58/1013928958.db2.gz HTOWPHUDCSQYEN-UHFFFAOYSA-N -1 3 300.305 3.768 20 0 DHADHM Cc1ccc(-c2nc(C3(c4ccncc4)CCC3)no2)c([O-])c1 ZINC000656033335 1013939242 /nfs/dbraw/zinc/93/92/42/1013939242.db2.gz MASRXVBTAUSVHI-UHFFFAOYSA-N -1 3 307.353 3.616 20 0 DHADHM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)sc1C ZINC000683755425 1013951675 /nfs/dbraw/zinc/95/16/75/1013951675.db2.gz MIHSFGRNTOGCMV-UHFFFAOYSA-N -1 3 302.733 3.944 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2ccc(O)cc2[O-])CC12CCCCC2 ZINC000655323372 1014068112 /nfs/dbraw/zinc/06/81/12/1014068112.db2.gz QUPHCSFAXCHWCK-INIZCTEOSA-N -1 3 303.402 3.529 20 0 DHADHM CC(C)(C)c1coc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000568179091 1014070474 /nfs/dbraw/zinc/07/04/74/1014070474.db2.gz CRFNUXRGIBZBAX-UHFFFAOYSA-N -1 3 319.308 3.700 20 0 DHADHM COc1ccc(Cl)cc1/C=C\C(=O)Nc1cccc([O-])c1F ZINC000255423605 1014091526 /nfs/dbraw/zinc/09/15/26/1014091526.db2.gz XPSSFPYQZAHTJO-YVMONPNESA-N -1 3 321.735 3.845 20 0 DHADHM O=C([O-])CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000563282218 974527160 /nfs/dbraw/zinc/52/71/60/974527160.db2.gz GBCILKUHBOKCTA-UHFFFAOYSA-N -1 3 318.804 3.575 20 0 DHADHM C[C@H]1CC[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000564662339 974551875 /nfs/dbraw/zinc/55/18/75/974551875.db2.gz YKRXYUDDTMZESB-RYUDHWBXSA-N -1 3 311.809 3.537 20 0 DHADHM O=C([O-])c1sccc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000565103494 974569549 /nfs/dbraw/zinc/56/95/49/974569549.db2.gz FZISAAPQAZOPNN-JTQLQIEISA-N -1 3 323.364 3.714 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000568060451 974655633 /nfs/dbraw/zinc/65/56/33/974655633.db2.gz DDYPPMGXUFUEPU-LBPRGKRZSA-N -1 3 303.358 3.570 20 0 DHADHM CC[C@@H](CN(CC)Cc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000568890530 974680894 /nfs/dbraw/zinc/68/08/94/974680894.db2.gz KGIRYGWUSBXQRD-ZDUSSCGKSA-N -1 3 318.442 3.857 20 0 DHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000577184489 974831384 /nfs/dbraw/zinc/83/13/84/974831384.db2.gz PTBFCAKMAXMMCE-AWEZNQCLSA-N -1 3 318.442 3.603 20 0 DHADHM CC1(C)CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000580441023 974894673 /nfs/dbraw/zinc/89/46/73/974894673.db2.gz ZZTFGULMMBBQGA-UHFFFAOYSA-N -1 3 311.809 3.539 20 0 DHADHM Cc1ccc(CN(CCCCC(=O)[O-])Cc2ccco2)s1 ZINC000652402967 975522166 /nfs/dbraw/zinc/52/21/66/975522166.db2.gz OLZGXXINVNCDMW-UHFFFAOYSA-N -1 3 307.415 3.907 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cnc3ccccc3c2)[C@H]2CCCC[C@H]12 ZINC000656766332 975699565 /nfs/dbraw/zinc/69/95/65/975699565.db2.gz OOAFWMPFMOMKQG-LMMKCTJWSA-N -1 3 324.424 3.700 20 0 DHADHM Cc1cc([C@H](C)N2CCC([C@H]3CCCCO3)CC2)oc1C(=O)[O-] ZINC000656770091 975704930 /nfs/dbraw/zinc/70/49/30/975704930.db2.gz XJHPPZQUHVUSNC-DZGCQCFKSA-N -1 3 321.417 3.628 20 0 DHADHM Cc1ccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cn1 ZINC000659793110 975880492 /nfs/dbraw/zinc/88/04/92/975880492.db2.gz LLKRZMXJXVCZBL-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM CC(C)c1[nH]c(CN(C)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001591910573 976321748 /nfs/dbraw/zinc/32/17/48/976321748.db2.gz JMXCUUHPOXAGRX-KRWDZBQOSA-N -1 3 312.413 3.956 20 0 DHADHM CC1(C)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000684082977 1014379069 /nfs/dbraw/zinc/37/90/69/1014379069.db2.gz JDJAECPMPMMOML-UHFFFAOYSA-N -1 3 309.409 3.659 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1cc(F)c([O-])cc1F ZINC001215571992 1014481638 /nfs/dbraw/zinc/48/16/38/1014481638.db2.gz KJNUPRRPQOUIRM-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM CC(C)(C)C[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000756358617 978698902 /nfs/dbraw/zinc/69/89/02/978698902.db2.gz BEQXCNCDFJKLTO-GFCCVEGCSA-N -1 3 324.471 3.851 20 0 DHADHM Cc1ccc(-c2nc(CNC3(CC(=O)[O-])CCC3)cs2)cc1 ZINC000833746360 979236074 /nfs/dbraw/zinc/23/60/74/979236074.db2.gz BCRVTTMPCWTBOD-UHFFFAOYSA-N -1 3 316.426 3.606 20 0 DHADHM C[C@H](COCC1CCCCC1)N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592776013 979402048 /nfs/dbraw/zinc/40/20/48/979402048.db2.gz OAFJNZDESVMTMU-OLZOCXBDSA-N -1 3 309.406 3.614 20 0 DHADHM C[C@@H](CSc1ccccc1)N(C)Cc1occc1C(=O)[O-] ZINC001592831999 979562115 /nfs/dbraw/zinc/56/21/15/979562115.db2.gz KXOWKLBTEVIDIF-LBPRGKRZSA-N -1 3 305.399 3.590 20 0 DHADHM CC[C@@H](Cc1ccccc1)N(CC)Cc1ncc(C(=O)[O-])s1 ZINC001595213822 980010919 /nfs/dbraw/zinc/01/09/19/980010919.db2.gz YXZJHEXVEVRRPJ-AWEZNQCLSA-N -1 3 318.442 3.685 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CC1CCCCCC1)CC2 ZINC000872166687 980063209 /nfs/dbraw/zinc/06/32/09/980063209.db2.gz NJKZXRCSAPLDJF-UHFFFAOYSA-N -1 3 317.429 3.722 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1ncoc1C1CC1 ZINC000581239516 1014641511 /nfs/dbraw/zinc/64/15/11/1014641511.db2.gz DCPZFAUWJTYRJO-UHFFFAOYSA-N -1 3 304.371 3.535 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CCC[C@H](C)C1)CC2 ZINC000901552777 980378715 /nfs/dbraw/zinc/37/87/15/980378715.db2.gz WDTJYKOGZMIIGD-KBPBESRZSA-N -1 3 317.429 3.578 20 0 DHADHM CC(C)C[C@@H](C)CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901587887 980393224 /nfs/dbraw/zinc/39/32/24/980393224.db2.gz NVKSKOGMZTYUBK-CYBMUJFWSA-N -1 3 314.429 3.906 20 0 DHADHM O=C([O-])c1cccc2c1CCN(CCc1cccc(Cl)c1)C2 ZINC000901745825 980476441 /nfs/dbraw/zinc/47/64/41/980476441.db2.gz DUYPHMKLTCYOMC-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CCCc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000901789556 980520887 /nfs/dbraw/zinc/52/08/87/980520887.db2.gz MJDMGBDKDCTCTC-ZDUSSCGKSA-N -1 3 321.364 3.540 20 0 DHADHM Cc1cccc(CC[C@@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000901912131 980623523 /nfs/dbraw/zinc/62/35/23/980623523.db2.gz OORMRWCIKUXCQY-CHWSQXEVSA-N -1 3 318.442 3.822 20 0 DHADHM C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901911323 980623531 /nfs/dbraw/zinc/62/35/31/980623531.db2.gz JQMRALVTICESNH-FPMFFAJLSA-N -1 3 316.426 3.828 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CN(CCC(=O)[O-])C(C)C ZINC000901978557 980659563 /nfs/dbraw/zinc/65/95/63/980659563.db2.gz IYVANVZLCNPHLC-UHFFFAOYSA-N -1 3 320.216 3.687 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595359957 980746572 /nfs/dbraw/zinc/74/65/72/980746572.db2.gz OCTVJZYHERXWSP-MRXNPFEDSA-N -1 3 316.401 3.613 20 0 DHADHM COc1ccc([C@H](NCc2csc(C(=O)[O-])c2)C2CC2)cc1 ZINC000902131109 980750222 /nfs/dbraw/zinc/75/02/22/980750222.db2.gz TUBBPCRKVAGWTM-MRXNPFEDSA-N -1 3 317.410 3.696 20 0 DHADHM CN(CCCCc1ccccc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902140516 980753530 /nfs/dbraw/zinc/75/35/30/980753530.db2.gz HCOSEUUEYKOORL-OUKQBFOZSA-N -1 3 313.397 3.832 20 0 DHADHM CCc1nc(CN[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cs1 ZINC000902233352 980793465 /nfs/dbraw/zinc/79/34/65/980793465.db2.gz JLHNCXRRDOWYTF-QWHCGFSZSA-N -1 3 310.463 3.609 20 0 DHADHM CCO[C@H]1C[C@H](NCc2cc(C)c(C(=O)[O-])o2)C12CCCCC2 ZINC000902322067 980831725 /nfs/dbraw/zinc/83/17/25/980831725.db2.gz HFCLTWQBGXQVMN-GJZGRUSLSA-N -1 3 321.417 3.504 20 0 DHADHM CCO[C@H]1C[C@@H](NCc2cc(C)c(C(=O)[O-])o2)C12CCCCC2 ZINC000902322065 980831903 /nfs/dbraw/zinc/83/19/03/980831903.db2.gz HFCLTWQBGXQVMN-CABCVRRESA-N -1 3 321.417 3.504 20 0 DHADHM CCc1oc(CN[C@H]2c3ccccc3CC[C@H]2C)cc1C(=O)[O-] ZINC000902340058 980839834 /nfs/dbraw/zinc/83/98/34/980839834.db2.gz XRHCTMHWLCFQBI-KZULUSFZSA-N -1 3 313.397 3.953 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000902378880 980861946 /nfs/dbraw/zinc/86/19/46/980861946.db2.gz BVEHQFBDSWNVFM-QGZVFWFLSA-N -1 3 317.360 3.975 20 0 DHADHM CC(C)(c1ccc(F)cc1)C1(NCc2cc(C(=O)[O-])co2)CC1 ZINC000902460959 980899136 /nfs/dbraw/zinc/89/91/36/980899136.db2.gz FGJWTVYQOQCAHY-UHFFFAOYSA-N -1 3 317.360 3.717 20 0 DHADHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccc2c(c1)CCCO2 ZINC000902483408 980907002 /nfs/dbraw/zinc/90/70/02/980907002.db2.gz FVDSASQFWXNLPU-NSHDSACASA-N -1 3 317.410 3.622 20 0 DHADHM Cc1cc(C)cc(C2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)c1 ZINC000903961578 981077963 /nfs/dbraw/zinc/07/79/63/981077963.db2.gz CATVRZPDAJWKHI-UHFFFAOYSA-N -1 3 324.424 3.776 20 0 DHADHM Cc1cccnc1[C@H](NCc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000904267578 981084408 /nfs/dbraw/zinc/08/44/08/981084408.db2.gz GPRLKKONPSUCGO-KRWDZBQOSA-N -1 3 312.413 3.965 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)C2CCCC2)nc1 ZINC000905720190 981122639 /nfs/dbraw/zinc/12/26/39/981122639.db2.gz XPEQDBWTPIAFES-SFHVURJKSA-N -1 3 310.397 3.801 20 0 DHADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccsc1Cl ZINC000656569006 1014872034 /nfs/dbraw/zinc/87/20/34/1014872034.db2.gz VIVDJXHIZLVLLE-MNOVXSKESA-N -1 3 301.839 3.771 20 0 DHADHM O=C([N-]OCCC(F)(F)F)C1(Cc2ccccc2Cl)CC1 ZINC000276220827 1014887977 /nfs/dbraw/zinc/88/79/77/1014887977.db2.gz XWQGEABTXDAJLQ-UHFFFAOYSA-N -1 3 321.726 3.663 20 0 DHADHM CS[C@H]1CC[C@@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001118253292 982948526 /nfs/dbraw/zinc/94/85/26/982948526.db2.gz IDZHUCWIHZWROS-MNOVXSKESA-N -1 3 313.850 3.754 20 0 DHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000665331964 1014928809 /nfs/dbraw/zinc/92/88/09/1014928809.db2.gz RJSDBFFSASUULK-BLLLJJGKSA-N -1 3 303.402 3.636 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000349879188 1015049804 /nfs/dbraw/zinc/04/98/04/1015049804.db2.gz JLXPINYYMCYNHW-RYUDHWBXSA-N -1 3 301.411 3.511 20 0 DHADHM O=C([O-])c1occc1CN(Cc1ccoc1)C1CCCCC1 ZINC000581613119 1015050074 /nfs/dbraw/zinc/05/00/74/1015050074.db2.gz RWRNXYIJWKSTFD-UHFFFAOYSA-N -1 3 303.358 3.906 20 0 DHADHM C[C@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1F ZINC000754722946 1015106871 /nfs/dbraw/zinc/10/68/71/1015106871.db2.gz GTRXTHLTZWMAKN-GFCCVEGCSA-N -1 3 305.324 3.706 20 0 DHADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCc1ccccn1 ZINC000909520708 1015126623 /nfs/dbraw/zinc/12/66/23/1015126623.db2.gz SDHXGAKHFBYANH-UHFFFAOYSA-N -1 3 310.397 3.530 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c([O-])c1C ZINC000052331132 1015152880 /nfs/dbraw/zinc/15/28/80/1015152880.db2.gz ITEZBGYXHQRSOW-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001597291401 987377349 /nfs/dbraw/zinc/37/73/49/987377349.db2.gz GSFVAAUWTRQKIE-HZPDHXFCSA-N -1 3 305.324 3.831 20 0 DHADHM CCc1[nH]c(CNC2(c3cccc(F)c3)CCC2)cc1C(=O)[O-] ZINC001597392675 987628024 /nfs/dbraw/zinc/62/80/24/987628024.db2.gz WNWMFQVLVVZNMA-UHFFFAOYSA-N -1 3 316.376 3.583 20 0 DHADHM CC(C)(C)[C@H](NCc1ccoc1C(=O)[O-])c1cccc(F)c1 ZINC001589720782 987883548 /nfs/dbraw/zinc/88/35/48/987883548.db2.gz QVALJVAUALEKMO-OAHLLOKOSA-N -1 3 305.349 3.994 20 0 DHADHM CCc1ccc2c(c1)CCN([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC001597569722 988339353 /nfs/dbraw/zinc/33/93/53/988339353.db2.gz VQHZCGOTXGLKJV-SFHVURJKSA-N -1 3 313.372 3.572 20 0 DHADHM CSc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599823824 988561633 /nfs/dbraw/zinc/56/16/33/988561633.db2.gz GLIVCRGYJFOBIY-MRXNPFEDSA-N -1 3 319.401 3.772 20 0 DHADHM [O-]c1cccc(Cl)c1CNc1ccc(Br)cn1 ZINC000157401059 1015513455 /nfs/dbraw/zinc/51/34/55/1015513455.db2.gz FHXHDNNBDRFXHF-UHFFFAOYSA-N -1 3 313.582 3.815 20 0 DHADHM CC(C)(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590409063 989944589 /nfs/dbraw/zinc/94/45/89/989944589.db2.gz MLOWUPSPAYBQOP-OAHLLOKOSA-N -1 3 319.426 3.841 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccc(C)s2)C(C)C)c([O-])c1 ZINC000098115380 1015577800 /nfs/dbraw/zinc/57/78/00/1015577800.db2.gz XKXGEWCTPGNSLU-UHFFFAOYSA-N -1 3 319.426 3.822 20 0 DHADHM C[C@@H]1CCC[C@H](C)CN1Cc1ncc(Br)cc1[O-] ZINC001204776502 1015623357 /nfs/dbraw/zinc/62/33/57/1015623357.db2.gz OQOGMMLWZQWXKW-WDEREUQCSA-N -1 3 313.239 3.560 20 0 DHADHM CC(C)[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001591030789 991335327 /nfs/dbraw/zinc/33/53/27/991335327.db2.gz QREURGQPHDWYAO-HNNXBMFYSA-N -1 3 324.783 3.992 20 0 DHADHM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCS1 ZINC001591093302 991656077 /nfs/dbraw/zinc/65/60/77/991656077.db2.gz OUVGKKZZPWSQHJ-KBPBESRZSA-N -1 3 313.850 3.539 20 0 DHADHM CN(Cc1cc2ccccc2nc1Cl)C(C)(C)CC(=O)[O-] ZINC001598508883 992540830 /nfs/dbraw/zinc/54/08/30/992540830.db2.gz JJJGVOQAPHLQOU-UHFFFAOYSA-N -1 3 306.793 3.573 20 0 DHADHM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc(C(C)(C)C)cc1 ZINC001598516057 992618186 /nfs/dbraw/zinc/61/81/86/992618186.db2.gz BQCMHKSWZFJCMM-UHFFFAOYSA-N -1 3 314.429 3.653 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(Cl)s1)c1ccsc1 ZINC000276955438 1015772638 /nfs/dbraw/zinc/77/26/38/1015772638.db2.gz FELLMVYUCDCNCE-JTQLQIEISA-N -1 3 301.820 3.769 20 0 DHADHM CC(C)(C)c1cnc([N-]C(=O)c2ocnc2C(F)F)s1 ZINC000625878905 1015797067 /nfs/dbraw/zinc/79/70/67/1015797067.db2.gz ZSLIHSJODMSSFG-UHFFFAOYSA-N -1 3 301.318 3.619 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC001593195072 994143977 /nfs/dbraw/zinc/14/39/77/994143977.db2.gz PJBTVYURHUFSQC-ZANVPECISA-N -1 3 312.291 3.510 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cccnc1 ZINC001593195081 994144400 /nfs/dbraw/zinc/14/44/00/994144400.db2.gz PNEXKEQIYSJKFZ-QMTHXVAHSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@H](NCC1(Cc2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593246627 994455310 /nfs/dbraw/zinc/45/53/10/994455310.db2.gz BOWZVKDPGZLEGI-LBPRGKRZSA-N -1 3 316.426 3.515 20 0 DHADHM C[C@@H](NCC/C=C\c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593265146 994570691 /nfs/dbraw/zinc/57/06/91/994570691.db2.gz QGJRERWOZZERQB-DJTUGOFGSA-N -1 3 302.399 3.595 20 0 DHADHM C[C@H](NCc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593303769 994737330 /nfs/dbraw/zinc/73/73/30/994737330.db2.gz FRAYTSCDFLDUJL-LBPRGKRZSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC001593304485 994748367 /nfs/dbraw/zinc/74/83/67/994748367.db2.gz MMUUBENGUSSQNC-LLVKDONJSA-N -1 3 321.323 3.837 20 0 DHADHM COc1cccc([C@H]2C[C@H](C)CN2Cc2occc2C(=O)[O-])c1 ZINC001599668451 994769577 /nfs/dbraw/zinc/76/95/77/994769577.db2.gz YJPILOYWVBVZJO-BLLLJJGKSA-N -1 3 315.369 3.570 20 0 DHADHM COc1cccc([C@@H]2C[C@H](C)CN2Cc2occc2C(=O)[O-])c1 ZINC001599668452 994769741 /nfs/dbraw/zinc/76/97/41/994769741.db2.gz YJPILOYWVBVZJO-LRDDRELGSA-N -1 3 315.369 3.570 20 0 DHADHM C[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593710731 996210296 /nfs/dbraw/zinc/21/02/96/996210296.db2.gz OTLVXWVMDKZOPG-AWEZNQCLSA-N -1 3 312.413 3.716 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccccc1C ZINC001599499006 997075179 /nfs/dbraw/zinc/07/51/79/997075179.db2.gz NRECOJSJIKVXFR-AWEZNQCLSA-N -1 3 313.397 3.895 20 0 DHADHM CC1(C)c2ccccc2CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001593988345 997241653 /nfs/dbraw/zinc/24/16/53/997241653.db2.gz LSNVBNXGRGWAMS-UHFFFAOYSA-N -1 3 313.372 3.817 20 0 DHADHM C[C@@]1(NCc2c(Cl)cncc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594060624 997837206 /nfs/dbraw/zinc/83/72/06/997837206.db2.gz SAQDZACYRZJQKR-IINYFYTJSA-N -1 3 317.216 3.512 20 0 DHADHM CC1=C(c2ccco2)CN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001594109022 998189179 /nfs/dbraw/zinc/18/91/79/998189179.db2.gz BQZBUNGBHUZNPS-GFCCVEGCSA-N -1 3 301.342 3.811 20 0 DHADHM C[C@@H](NCc1ccco1)c1cc(Br)cc(F)c1[O-] ZINC000184843365 1016392622 /nfs/dbraw/zinc/39/26/22/1016392622.db2.gz QWXPKEJQUMDFNS-MRVPVSSYSA-N -1 3 314.154 3.738 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2cc(CC)ccc2[O-])s1 ZINC000622523670 1016436693 /nfs/dbraw/zinc/43/66/93/1016436693.db2.gz RMQQPSCXTWOQTA-UHFFFAOYSA-N -1 3 304.415 3.924 20 0 DHADHM C[C@@H](c1ccc(C(=O)Nc2ncccc2[O-])cc1)C(F)(F)F ZINC000622505202 1016438063 /nfs/dbraw/zinc/43/80/63/1016438063.db2.gz UGAHALXZBYHOPL-VIFPVBQESA-N -1 3 310.275 3.705 20 0 DHADHM CC(C)c1ccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000763743649 1016465471 /nfs/dbraw/zinc/46/54/71/1016465471.db2.gz JZSRYHBOWIXNLW-UHFFFAOYSA-N -1 3 320.392 3.928 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c1 ZINC000622573197 1016475264 /nfs/dbraw/zinc/47/52/64/1016475264.db2.gz GQKYTBZHORZNKD-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCc1ccc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000622744470 1016553497 /nfs/dbraw/zinc/55/34/97/1016553497.db2.gz XGTCQWMWVYBVQC-LLVKDONJSA-N -1 3 311.372 3.898 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)CC2)sc1Cl ZINC001211548671 1016915289 /nfs/dbraw/zinc/91/52/89/1016915289.db2.gz CQASOLMKEXQMOL-MWLCHTKSSA-N -1 3 321.895 3.957 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)CC2)sc1Cl ZINC001211548672 1016915789 /nfs/dbraw/zinc/91/57/89/1016915789.db2.gz CQASOLMKEXQMOL-ONGXEEELSA-N -1 3 321.895 3.957 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(OC)c(SC)c2)c([O-])c1 ZINC001141984312 1016942739 /nfs/dbraw/zinc/94/27/39/1016942739.db2.gz KDJCUNYQTOYMJG-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM Cc1cc2ccccc2n1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000026103224 1016980158 /nfs/dbraw/zinc/98/01/58/1016980158.db2.gz OPBQEYIJJOMXFM-UHFFFAOYSA-N -1 3 314.772 3.947 20 0 DHADHM C[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)c2ccccc2O1 ZINC000294909991 1032205277 /nfs/dbraw/zinc/20/52/77/1032205277.db2.gz AATXTQWZUGFNFN-QMTHXVAHSA-N -1 3 305.324 3.672 20 0 DHADHM O=C([N-]c1ncc(Cl)s1)c1nc(Cl)sc1Cl ZINC001146516373 1032226527 /nfs/dbraw/zinc/22/65/27/1032226527.db2.gz CEOYPQSAZIBVLO-UHFFFAOYSA-N -1 3 314.606 3.812 20 0 DHADHM CCOc1ncccc1C(=O)[N-]c1c(F)cccc1SCC ZINC000362188937 1032267398 /nfs/dbraw/zinc/26/73/98/1032267398.db2.gz JMBCTXDMTNWJFV-UHFFFAOYSA-N -1 3 320.389 3.984 20 0 DHADHM CCc1cccc(C(=O)N[C@@](C)(CC)c2nc(C)cs2)c1[O-] ZINC001147142335 1032286014 /nfs/dbraw/zinc/28/60/14/1032286014.db2.gz VEBPYLOCZRZJGC-KRWDZBQOSA-N -1 3 318.442 3.775 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC001147923545 1032353304 /nfs/dbraw/zinc/35/33/04/1032353304.db2.gz FDZUXNQBSNSYOY-QGZVFWFLSA-N -1 3 310.397 3.621 20 0 DHADHM COc1cccc(C(=O)Nc2ncccc2-c2ccccc2)c1[O-] ZINC001148197436 1032368031 /nfs/dbraw/zinc/36/80/31/1032368031.db2.gz KNQJEWVWVVUCPI-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM O=C(CCOc1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000179636787 1017275855 /nfs/dbraw/zinc/27/58/55/1017275855.db2.gz JDKMOSQMTLXEMM-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2c1CCCC2 ZINC001148636289 1032428422 /nfs/dbraw/zinc/42/84/22/1032428422.db2.gz NYOVMKJTUFPROG-UHFFFAOYSA-N -1 3 309.365 3.726 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000049406231 1011896608 /nfs/dbraw/zinc/89/66/08/1011896608.db2.gz SFJJBDCJZJUJGM-OGOUPESXSA-N -1 3 317.801 3.698 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cc1[O-] ZINC000579684655 1011918615 /nfs/dbraw/zinc/91/86/15/1011918615.db2.gz WHQZDWGAKSXSBZ-QGZVFWFLSA-N -1 3 323.392 3.533 20 0 DHADHM COc1ccc(C(=O)NCC2(CC(C)C)CCCC2)c([O-])c1 ZINC000317147433 1011949498 /nfs/dbraw/zinc/94/94/98/1011949498.db2.gz SYGQPTSZICRMEQ-UHFFFAOYSA-N -1 3 305.418 3.737 20 0 DHADHM CCCN(CCC)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000049516130 1011956138 /nfs/dbraw/zinc/95/61/38/1011956138.db2.gz UZLKEWKCSPXWMP-UHFFFAOYSA-N -1 3 310.492 3.672 20 0 DHADHM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc([O-])c1F)CCC2 ZINC000654969934 1012218872 /nfs/dbraw/zinc/21/88/72/1012218872.db2.gz PJUZSOIEXOKILQ-CYBMUJFWSA-N -1 3 315.344 3.599 20 0 DHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1 ZINC000026543494 1012305219 /nfs/dbraw/zinc/30/52/19/1012305219.db2.gz JBVLDLLXUIXHKQ-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM Cc1nc(C(C)C)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000108998170 1012319298 /nfs/dbraw/zinc/31/92/98/1012319298.db2.gz NQCBGAXFTFXKNU-UHFFFAOYSA-N -1 3 318.374 3.616 20 0 DHADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(-c3cccnn3)nc(=O)c12 ZINC000887315822 1032622924 /nfs/dbraw/zinc/62/29/24/1032622924.db2.gz CEYIQBCWBVUMFF-SECBINFHSA-N -1 3 314.414 3.751 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cc4ccccc4o3)no2)c1 ZINC000109037625 1012405707 /nfs/dbraw/zinc/40/57/07/1012405707.db2.gz ACOKJBCFHSZELE-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cnccc2-c2ccccc2)c1 ZINC000683225096 1012507371 /nfs/dbraw/zinc/50/73/71/1012507371.db2.gz WKHXAHDCOOADPW-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000874481061 1032648448 /nfs/dbraw/zinc/64/84/48/1032648448.db2.gz KNMKCJSLPMGFLZ-HNNXBMFYSA-N -1 3 315.335 3.930 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c1Cl ZINC000517088354 1012907250 /nfs/dbraw/zinc/90/72/50/1012907250.db2.gz UMDVWDRLDSTPQF-KCJUWKMLSA-N -1 3 322.257 3.769 20 0 DHADHM CCOc1ccc(NC(=O)c2cccc(C)c2[O-])cc1OCC ZINC000390414739 1017142703 /nfs/dbraw/zinc/14/27/03/1017142703.db2.gz MNPDKQFDJHZEGX-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2csc3ccccc23)o1 ZINC000773297213 1032698225 /nfs/dbraw/zinc/69/82/25/1032698225.db2.gz MGZYZMWEWZOKAS-NSHDSACASA-N -1 3 321.423 3.842 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c([O-])c1 ZINC000076970536 1017447477 /nfs/dbraw/zinc/44/74/77/1017447477.db2.gz MCXUOTKWTMGWAC-KRWDZBQOSA-N -1 3 324.424 3.842 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000119954892 1017675821 /nfs/dbraw/zinc/67/58/21/1017675821.db2.gz UFPBUDWZHRTEMI-SFHVURJKSA-N -1 3 315.392 3.515 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC34CCCCC4)nc2)n1 ZINC000181266291 1017736536 /nfs/dbraw/zinc/73/65/36/1017736536.db2.gz LCGITGFAZHGHLS-HNNXBMFYSA-N -1 3 324.428 3.529 20 0 DHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3cocn3)n2)c1 ZINC000674065535 1017806028 /nfs/dbraw/zinc/80/60/28/1017806028.db2.gz KVKAYTLWQVIVIU-UHFFFAOYSA-N -1 3 311.128 3.644 20 0 DHADHM CCc1noc(C)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342943701 1017866573 /nfs/dbraw/zinc/86/65/73/1017866573.db2.gz LCQQPRIIJMAGDM-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM Cc1coc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c1 ZINC001128645270 1017879439 /nfs/dbraw/zinc/87/94/39/1017879439.db2.gz FIKYYJCZMTXAGP-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM O=S(=O)([N-][C@@H](CC1CCCC1)c1ccccc1)c1ccco1 ZINC000445712700 1017956624 /nfs/dbraw/zinc/95/66/24/1017956624.db2.gz VDSOZALIFISYAC-INIZCTEOSA-N -1 3 319.426 3.880 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000625727517 1017959621 /nfs/dbraw/zinc/95/96/21/1017959621.db2.gz YYXYGZVITNYKAX-ZFWWWQNUSA-N -1 3 313.372 3.858 20 0 DHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C1CCCC1 ZINC000674745012 1018121457 /nfs/dbraw/zinc/12/14/57/1018121457.db2.gz QFFRCWGBCMKCRO-SECBINFHSA-N -1 3 312.207 3.920 20 0 DHADHM CC(C)(C)NC(=O)c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379278 1018181573 /nfs/dbraw/zinc/18/15/73/1018181573.db2.gz KSXNZRJWXAKVQM-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001212526662 1018219499 /nfs/dbraw/zinc/21/94/99/1018219499.db2.gz RPWZLBHAHFSCKV-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=c1ccnc(C=Cc2cccc(OCc3ccccc3)c2)[n-]1 ZINC000764440933 1018283594 /nfs/dbraw/zinc/28/35/94/1018283594.db2.gz DCODLAZCMOETGA-KTKRTIGZSA-N -1 3 304.349 3.932 20 0 DHADHM O=C(CCC1CCCC1)COC(=O)c1cc2ccsc2[n-]1 ZINC000764494749 1018295859 /nfs/dbraw/zinc/29/58/59/1018295859.db2.gz GVFJZDJXPVDPCU-UHFFFAOYSA-N -1 3 305.399 3.926 20 0 DHADHM COC[C@H]1CCCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142106043 1018319373 /nfs/dbraw/zinc/31/93/73/1018319373.db2.gz XIZGMFMYHLGLRT-SNVBAGLBSA-N -1 3 304.217 3.700 20 0 DHADHM Cc1cc2c(ncnc2S[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000447326628 1018374410 /nfs/dbraw/zinc/37/44/10/1018374410.db2.gz RQZQMMDRCOKIQO-SECBINFHSA-N -1 3 318.427 3.657 20 0 DHADHM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000278221991 1018391293 /nfs/dbraw/zinc/39/12/93/1018391293.db2.gz RAGZFUWXOFBWMA-MXWKQRLJSA-N -1 3 305.353 3.515 20 0 DHADHM Cc1ccc(C(=O)N2CCC(F)(c3ccccc3)CC2)c([O-])c1 ZINC000447613120 1018439397 /nfs/dbraw/zinc/43/93/97/1018439397.db2.gz XXEKDOXCAKRPJO-UHFFFAOYSA-N -1 3 313.372 3.802 20 0 DHADHM Nc1ccc2c(c1)c(-c1ccncc1)nn2-c1cccc([O-])c1F ZINC001212553970 1018453649 /nfs/dbraw/zinc/45/36/49/1018453649.db2.gz FKXABJILPUZSJT-UHFFFAOYSA-N -1 3 320.327 3.514 20 0 DHADHM CCCN(Cc1cccc([O-])c1Br)CC(F)F ZINC000315350814 1032768200 /nfs/dbraw/zinc/76/82/00/1032768200.db2.gz HCHDWCOWENQBJC-UHFFFAOYSA-N -1 3 308.166 3.632 20 0 DHADHM C[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1c[nH]c2ccccc21 ZINC000278445494 1018701107 /nfs/dbraw/zinc/70/11/07/1018701107.db2.gz VFCTWKOXTZQXTE-JTQLQIEISA-N -1 3 314.307 3.662 20 0 DHADHM CCc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000676339519 1018707427 /nfs/dbraw/zinc/70/74/27/1018707427.db2.gz QMXWQOCASHOAOW-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000627302593 1018845246 /nfs/dbraw/zinc/84/52/46/1018845246.db2.gz RWHWBIRPEMPEDB-UHFFFAOYSA-N -1 3 320.392 3.701 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(Oc3ccccc3)CC2)c1F ZINC000507351103 1018850288 /nfs/dbraw/zinc/85/02/88/1018850288.db2.gz BNHKFKROBIHKGI-UHFFFAOYSA-N -1 3 319.351 3.714 20 0 DHADHM COc1ccc(OC)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471559225 1018864110 /nfs/dbraw/zinc/86/41/10/1018864110.db2.gz JPRUAVSJVWNACC-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])c2ccccc2c1 ZINC000471624865 1018905819 /nfs/dbraw/zinc/90/58/19/1018905819.db2.gz AKXSYLIERWLVCQ-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM CN(C)c1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471693791 1018923316 /nfs/dbraw/zinc/92/33/16/1018923316.db2.gz QJKYYEPTRHZBOQ-UHFFFAOYSA-N -1 3 306.365 3.864 20 0 DHADHM COCc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471759722 1018932494 /nfs/dbraw/zinc/93/24/94/1018932494.db2.gz XROOGCFBOSPKSX-UHFFFAOYSA-N -1 3 307.349 3.944 20 0 DHADHM O=C([N-][C@H]1C=CCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC001527941000 1018970858 /nfs/dbraw/zinc/97/08/58/1018970858.db2.gz YBAXDJBPDDWZLL-QMMMGPOBSA-N -1 3 306.139 3.920 20 0 DHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000278658784 1018998370 /nfs/dbraw/zinc/99/83/70/1018998370.db2.gz GLZVNYNIDUOPNI-ZETCQYMHSA-N -1 3 320.311 3.857 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000007053086 1019000392 /nfs/dbraw/zinc/00/03/92/1019000392.db2.gz PGWAGKVWDNPBNS-UHFFFAOYSA-N -1 3 315.438 3.983 20 0 DHADHM O=C([N-][C@H]1CCc2cc(F)ccc21)C(F)(F)c1ccccc1F ZINC000765670365 1019035740 /nfs/dbraw/zinc/03/57/40/1019035740.db2.gz ZGTIMKPXJSDQTD-HNNXBMFYSA-N -1 3 323.289 3.860 20 0 DHADHM COc1ccc(O)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000355034570 1019081865 /nfs/dbraw/zinc/08/18/65/1019081865.db2.gz GHTSYRNYOHBFBR-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000151814156 1019092088 /nfs/dbraw/zinc/09/20/88/1019092088.db2.gz LFANLOMJZPZQLM-HIFRSBDPSA-N -1 3 308.397 3.642 20 0 DHADHM COc1ccc(Cn2cc([N-]c3nc4ccccc4o3)cn2)cc1 ZINC000672298552 1019102533 /nfs/dbraw/zinc/10/25/33/1019102533.db2.gz ZVBDLGAODWSQMB-UHFFFAOYSA-N -1 3 320.352 3.825 20 0 DHADHM COc1cccc2sc(NC(=O)c3ccc(C)cc3[O-])nc21 ZINC000028840994 1019163722 /nfs/dbraw/zinc/16/37/22/1019163722.db2.gz DXHADOYCYRVPOL-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000356159241 1019178578 /nfs/dbraw/zinc/17/85/78/1019178578.db2.gz BGZJVIKQCXHEMS-LLVKDONJSA-N -1 3 323.314 3.960 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000031666109 1019227950 /nfs/dbraw/zinc/22/79/50/1019227950.db2.gz HTCXAUJZSCHFDG-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000032586272 1019243471 /nfs/dbraw/zinc/24/34/71/1019243471.db2.gz OYBRDBTZYONBSH-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000036619907 1019261201 /nfs/dbraw/zinc/26/12/01/1019261201.db2.gz XLUPDEMELWLAFO-VIFPVBQESA-N -1 3 308.790 3.560 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCC1(F)F ZINC000356773679 1019270402 /nfs/dbraw/zinc/27/04/02/1019270402.db2.gz MDDWYXHVSZXRRN-LLVKDONJSA-N -1 3 305.324 3.663 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Cl)cc(Cl)c1 ZINC000073973469 1019312965 /nfs/dbraw/zinc/31/29/65/1019312965.db2.gz PXAXRMLZFHUXPU-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cnc(Cc2ccccc2)s1 ZINC000087206563 1019329495 /nfs/dbraw/zinc/32/94/95/1019329495.db2.gz CCABKRGNWGDMQP-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000043801050 1019362860 /nfs/dbraw/zinc/36/28/60/1019362860.db2.gz UYWNPXLUHHKHNV-UWVGGRQHSA-N -1 3 322.257 3.850 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000739022844 1019365099 /nfs/dbraw/zinc/36/50/99/1019365099.db2.gz FVEYMCJTJMUZTO-NEPJUHHUSA-N -1 3 310.825 3.769 20 0 DHADHM Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(Br)c1 ZINC001212477443 1019397188 /nfs/dbraw/zinc/39/71/88/1019397188.db2.gz FFUWDAWDENTEGI-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCc1cc(C(=O)OC)c(Nc2cc(F)cc(F)c2[O-])s1 ZINC001212478065 1019397512 /nfs/dbraw/zinc/39/75/12/1019397512.db2.gz SJSPQFBZCWPJSY-UHFFFAOYSA-N -1 3 313.325 3.825 20 0 DHADHM CCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1CC ZINC000489493768 1019434306 /nfs/dbraw/zinc/43/43/06/1019434306.db2.gz GANYMVDFIVIRED-UHFFFAOYSA-N -1 3 320.392 3.905 20 0 DHADHM O=c1ccnc(C(=Cc2cccc(F)c2)Cc2ccccc2)[n-]1 ZINC000477405727 1032834702 /nfs/dbraw/zinc/83/47/02/1032834702.db2.gz MGQJMZIKPHPNQI-FOWTUZBSSA-N -1 3 306.340 3.692 20 0 DHADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)[C@H]1CCCOC1 ZINC000922133582 1019498240 /nfs/dbraw/zinc/49/82/40/1019498240.db2.gz KMZHBXJNIFMMOI-SMDDNHRTSA-N -1 3 319.426 3.542 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(-c3nnco3)ccc2C)c1[O-] ZINC000094013583 1019596414 /nfs/dbraw/zinc/59/64/14/1019596414.db2.gz CUWCCPJARBDXRB-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C)cc1 ZINC000061205329 1019740632 /nfs/dbraw/zinc/74/06/32/1019740632.db2.gz PFSZTOMHAXAPMB-MRXNPFEDSA-N -1 3 320.392 3.718 20 0 DHADHM Cc1cc([C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)on1 ZINC000527447722 1019752568 /nfs/dbraw/zinc/75/25/68/1019752568.db2.gz SBJKFYGWQAKHRC-INIZCTEOSA-N -1 3 322.364 3.819 20 0 DHADHM CCCc1nnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000352168114 1019851229 /nfs/dbraw/zinc/85/12/29/1019851229.db2.gz PIIUKHZORTULEE-UHFFFAOYSA-N -1 3 313.382 3.602 20 0 DHADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000065054481 1019893562 /nfs/dbraw/zinc/89/35/62/1019893562.db2.gz YUIVTMCQSPRFGL-LBPRGKRZSA-N -1 3 324.355 3.500 20 0 DHADHM O=C(Nc1cccc2c[nH]nc21)c1cc([O-])c2ccccc2c1 ZINC000352285734 1019952115 /nfs/dbraw/zinc/95/21/15/1019952115.db2.gz TYIMURFCZBWRNM-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000730151269 1019956239 /nfs/dbraw/zinc/95/62/39/1019956239.db2.gz JDIGPNWVVWYMNZ-WQRHYEAKSA-N -1 3 321.376 3.532 20 0 DHADHM Cc1cnc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)o1 ZINC000066811683 1019960721 /nfs/dbraw/zinc/96/07/21/1019960721.db2.gz MXEJXGKXXYIJDQ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(C)c1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cs1 ZINC000068071726 1020011851 /nfs/dbraw/zinc/01/18/51/1020011851.db2.gz NEDJRTODXHPKMM-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCCCn1nccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001626077489 1020014848 /nfs/dbraw/zinc/01/48/48/1020014848.db2.gz PXYZWDFUAIHKBK-UHFFFAOYSA-N -1 3 315.398 3.856 20 0 DHADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068831988 1020040053 /nfs/dbraw/zinc/04/00/53/1020040053.db2.gz QXHIVXFJYDNKAX-DZGCQCFKSA-N -1 3 312.413 3.617 20 0 DHADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000068932629 1020041743 /nfs/dbraw/zinc/04/17/43/1020041743.db2.gz BNFMBXFVRYICRQ-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3F)n[n-]2)o1 ZINC000731139456 1020072760 /nfs/dbraw/zinc/07/27/60/1020072760.db2.gz ROOJIAWEJXZJLH-UHFFFAOYSA-N -1 3 314.316 3.517 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3F)[n-]n2)o1 ZINC000731139456 1020072766 /nfs/dbraw/zinc/07/27/66/1020072766.db2.gz ROOJIAWEJXZJLH-UHFFFAOYSA-N -1 3 314.316 3.517 20 0 DHADHM O=c1cc(CSc2cc(Cl)ccc2Cl)occ1[O-] ZINC000072966905 1020093633 /nfs/dbraw/zinc/09/36/33/1020093633.db2.gz NRERNHRVNFMDIG-UHFFFAOYSA-N -1 3 303.166 3.945 20 0 DHADHM CCCOCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000122075570 1032877590 /nfs/dbraw/zinc/87/75/90/1032877590.db2.gz CBJRQJXSXUMOOM-UHFFFAOYSA-N -1 3 300.383 3.578 20 0 DHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000612037753 1020143549 /nfs/dbraw/zinc/14/35/49/1020143549.db2.gz CWPYPJBZJIMAOV-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)s1 ZINC000671778767 1020157424 /nfs/dbraw/zinc/15/74/24/1020157424.db2.gz SEJAOISTOBWTFJ-UHFFFAOYSA-N -1 3 319.279 3.542 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625202843 1020406760 /nfs/dbraw/zinc/40/67/60/1020406760.db2.gz AASQKVLWDTYKDY-ZIAGYGMSSA-N -1 3 322.368 3.587 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)c(Cl)[nH]1 ZINC000179641337 1020421970 /nfs/dbraw/zinc/42/19/70/1020421970.db2.gz QIRZYSOLESAUJN-UHFFFAOYSA-N -1 3 305.548 3.933 20 0 DHADHM O=C([N-]c1ncc(Cl)s1)c1cc(-c2cccc(F)c2)no1 ZINC000673940833 1020562006 /nfs/dbraw/zinc/56/20/06/1020562006.db2.gz ZXQPTACCSHFZEC-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000132924229 1020583482 /nfs/dbraw/zinc/58/34/82/1020583482.db2.gz CFBKOXQTDNOQKQ-STQMWFEESA-N -1 3 319.763 3.605 20 0 DHADHM Cc1cccc(C(C)(C)NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000163694068 1020613906 /nfs/dbraw/zinc/61/39/06/1020613906.db2.gz KFXMQQXHUWFUTN-UHFFFAOYSA-N -1 3 316.376 3.574 20 0 DHADHM CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163705645 1020615517 /nfs/dbraw/zinc/61/55/17/1020615517.db2.gz FCBNXCZJRUMJNL-CYBMUJFWSA-N -1 3 308.397 3.642 20 0 DHADHM COc1cccc2cc(C(=O)Nc3cc(F)ccc3[O-])oc21 ZINC000674015780 1020638094 /nfs/dbraw/zinc/63/80/94/1020638094.db2.gz VCKMLPNNBVRHOP-UHFFFAOYSA-N -1 3 301.273 3.538 20 0 DHADHM CC1(C)C[C@]1(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000612632598 1020651829 /nfs/dbraw/zinc/65/18/29/1020651829.db2.gz QACMCBZEIORZQC-LJQANCHMSA-N -1 3 313.372 3.515 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(C(F)(F)F)CCCCC1 ZINC000613110393 1020813710 /nfs/dbraw/zinc/81/37/10/1020813710.db2.gz OJVNQNUXUVXGGO-UHFFFAOYSA-N -1 3 305.271 3.983 20 0 DHADHM C/C(=C\C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000738552532 1020877526 /nfs/dbraw/zinc/87/75/26/1020877526.db2.gz PRXYOWDVKQVNTN-DHZHZOJOSA-N -1 3 319.763 3.904 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC2(C)CCC(F)(F)CC2)c1 ZINC000613436110 1020956691 /nfs/dbraw/zinc/95/66/91/1020956691.db2.gz QRYWQBBVQJJKAY-UHFFFAOYSA-N -1 3 315.385 3.812 20 0 DHADHM Cc1cc2ccccc2c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000414361695 1021131954 /nfs/dbraw/zinc/13/19/54/1021131954.db2.gz IDJPCRUULJBPIP-GFCCVEGCSA-N -1 3 322.286 3.525 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC001202290205 1021204835 /nfs/dbraw/zinc/20/48/35/1021204835.db2.gz IWSIAMWYGNBXDN-UHFFFAOYSA-N -1 3 311.263 3.758 20 0 DHADHM CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1F ZINC000617994263 1021212555 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Cc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)sc1C ZINC000744255197 1021484148 /nfs/dbraw/zinc/48/41/48/1021484148.db2.gz OKQLCTYHWYDTEQ-UHFFFAOYSA-N -1 3 305.186 3.752 20 0 DHADHM C[C@H]1CCN(Cc2c(Cl)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129413507 1021484392 /nfs/dbraw/zinc/48/43/92/1021484392.db2.gz FWIGFDHHQHWZFV-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM C[C@@H]1CN(CCc2cc(Cl)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000659800936 1021536730 /nfs/dbraw/zinc/53/67/30/1021536730.db2.gz APPXCGFMEVLOBW-MFKMUULPSA-N -1 3 316.228 3.579 20 0 DHADHM O=C(OCc1ncc(-c2ccccc2F)o1)c1ccc([O-])cc1 ZINC000744476063 1021557095 /nfs/dbraw/zinc/55/70/95/1021557095.db2.gz WWGJIOKAMGESBZ-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM Cc1c(Br)cccc1C(=O)Nc1cccc([O-])c1F ZINC000129760158 1021572451 /nfs/dbraw/zinc/57/24/51/1021572451.db2.gz NNMFPMCRBLFKOH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)C(C)(C)C ZINC000924085406 1021590786 /nfs/dbraw/zinc/59/07/86/1021590786.db2.gz DLSOZATWJDNKHI-MRVPVSSYSA-N -1 3 324.327 3.661 20 0 DHADHM C[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000919061678 1021710218 /nfs/dbraw/zinc/71/02/18/1021710218.db2.gz JIZMFCIDYCWUFR-ZDUSSCGKSA-N -1 3 310.353 3.848 20 0 DHADHM C[C@@H](CCc1ccccc1)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061678 1021710228 /nfs/dbraw/zinc/71/02/28/1021710228.db2.gz JIZMFCIDYCWUFR-ZDUSSCGKSA-N -1 3 310.353 3.848 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)/C=C/C3CC3)nc(=O)c2c1C ZINC000745558297 1021734502 /nfs/dbraw/zinc/73/45/02/1021734502.db2.gz XMVZYCPVALRODU-UCUJLANTSA-N -1 3 318.398 3.584 20 0 DHADHM CCC/C=C\C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000919241077 1021744844 /nfs/dbraw/zinc/74/48/44/1021744844.db2.gz NPBZKTIJAMHGIW-GQYWMQPJSA-N -1 3 320.414 3.974 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(F)c(F)c3)n[n-]2)o1 ZINC000919325627 1021764104 /nfs/dbraw/zinc/76/41/04/1021764104.db2.gz NIULCCUESCDJGS-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(F)c(F)c3)[n-]n2)o1 ZINC000919325627 1021764120 /nfs/dbraw/zinc/76/41/20/1021764120.db2.gz NIULCCUESCDJGS-UHFFFAOYSA-N -1 3 318.279 3.613 20 0 DHADHM C[C@@H](CCNC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccccc1 ZINC000041673951 1021858202 /nfs/dbraw/zinc/85/82/02/1021858202.db2.gz PYRRHOHQXBLVMV-VUODPORTSA-N -1 3 320.392 3.609 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1[O-] ZINC000556893057 1021926612 /nfs/dbraw/zinc/92/66/12/1021926612.db2.gz QQUVOMWGILDGIZ-LLVKDONJSA-N -1 3 315.344 3.551 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000185820132 1021938387 /nfs/dbraw/zinc/93/83/87/1021938387.db2.gz FZLWYFSLSPGQBX-ZDUSSCGKSA-N -1 3 321.376 3.675 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCc3ccc(OC)cc32)c1 ZINC000619937865 1021966163 /nfs/dbraw/zinc/96/61/63/1021966163.db2.gz WAJVEYKVACFBPC-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM CCSc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000071079922 1022049449 /nfs/dbraw/zinc/04/94/49/1022049449.db2.gz VWYVUXNVOFPOTG-LFIBNONCSA-N -1 3 324.405 3.522 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)c([O-])c1 ZINC000051213317 1022064844 /nfs/dbraw/zinc/06/48/44/1022064844.db2.gz RHRFBTLUFPJELX-UHFFFAOYSA-N -1 3 323.396 3.664 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OC(F)F)cc1 ZINC000153505906 1022079073 /nfs/dbraw/zinc/07/90/73/1022079073.db2.gz WDKZBOSEMLKEFH-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc([O-])ccc1Cl ZINC000620686893 1022236988 /nfs/dbraw/zinc/23/69/88/1022236988.db2.gz KOXSIMPPGJIJPW-ZDUSSCGKSA-N -1 3 315.800 3.848 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](C2CCCCC2)C1 ZINC000620689184 1022238046 /nfs/dbraw/zinc/23/80/46/1022238046.db2.gz KWTHCTFDCXPIBU-AWEZNQCLSA-N -1 3 303.402 3.530 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ncccc1C(F)(F)F ZINC000154169616 1022285229 /nfs/dbraw/zinc/28/52/29/1022285229.db2.gz GXCOAGFLKABTJA-UHFFFAOYSA-N -1 3 311.263 3.527 20 0 DHADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000155593760 1022411060 /nfs/dbraw/zinc/41/10/60/1022411060.db2.gz HTRMDQBBECLRIP-KRWDZBQOSA-N -1 3 316.376 3.728 20 0 DHADHM COc1ccc(-c2ccc(=O)[n-]c2F)cc1COC1CCC1 ZINC000854189287 1022424092 /nfs/dbraw/zinc/42/40/92/1022424092.db2.gz KGIMONPXQYQHAA-UHFFFAOYSA-N -1 3 303.333 3.671 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3nc2C)n1 ZINC000155932731 1022426966 /nfs/dbraw/zinc/42/69/66/1022426966.db2.gz KJIMQTIIPYPSKS-LLVKDONJSA-N -1 3 312.398 3.596 20 0 DHADHM [O-]c1cc(Nc2cnc(OCC3CCC3)nc2)ccc1Cl ZINC001212591215 1022450462 /nfs/dbraw/zinc/45/04/62/1022450462.db2.gz AONDQPUCPMWAQK-UHFFFAOYSA-N -1 3 305.765 3.758 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000615391217 1022464332 /nfs/dbraw/zinc/46/43/32/1022464332.db2.gz VHQUXGPFEKRIEG-ZIAGYGMSSA-N -1 3 305.443 3.765 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001169581095 1022468185 /nfs/dbraw/zinc/46/81/85/1022468185.db2.gz DLPIGUZVJXQFEP-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001169581095 1022468197 /nfs/dbraw/zinc/46/81/97/1022468197.db2.gz DLPIGUZVJXQFEP-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000615474066 1022481930 /nfs/dbraw/zinc/48/19/30/1022481930.db2.gz IUQHUAOADFZLBX-MXWKQRLJSA-N -1 3 324.218 3.838 20 0 DHADHM CC(C)c1ccc(-c2ccc(NCc3ncccc3[O-])nn2)cc1 ZINC001169730791 1022525060 /nfs/dbraw/zinc/52/50/60/1022525060.db2.gz IKCHEENTUXSSAD-UHFFFAOYSA-N -1 3 320.396 3.980 20 0 DHADHM [O-]c1cccnc1CNc1cnc2c(cccc2C(F)(F)F)c1 ZINC001169733792 1022529116 /nfs/dbraw/zinc/52/91/16/1022529116.db2.gz ZHSYCPKMRAMACQ-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM CC1(C)CNC(=O)c2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212594883 1022546835 /nfs/dbraw/zinc/54/68/35/1022546835.db2.gz BADHQTZRFFQNPG-UHFFFAOYSA-N -1 3 316.788 3.810 20 0 DHADHM CC1(C)C(=O)NCc2c(Nc3ccc(Cl)c([O-])c3)cccc21 ZINC001212595090 1022552077 /nfs/dbraw/zinc/55/20/77/1022552077.db2.gz GVYGRQOFRVJGHP-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM CCCOc1cc(C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417003704 1022557020 /nfs/dbraw/zinc/55/70/20/1022557020.db2.gz BQKLKQMVWRFNND-UHFFFAOYSA-N -1 3 313.401 3.769 20 0 DHADHM CC(C)COc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417007803 1022559696 /nfs/dbraw/zinc/55/96/96/1022559696.db2.gz HYURAQQIGUXNCB-UHFFFAOYSA-N -1 3 313.401 3.707 20 0 DHADHM CN1Cc2c(Nc3ccc(Cl)c([O-])c3)cccc2NC1=O ZINC001212595508 1022560852 /nfs/dbraw/zinc/56/08/52/1022560852.db2.gz XGIVFCQSXOLVPB-UHFFFAOYSA-N -1 3 303.749 3.767 20 0 DHADHM CCCCOc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417018409 1022561676 /nfs/dbraw/zinc/56/16/76/1022561676.db2.gz HUVXKGMCCZAAAO-UHFFFAOYSA-N -1 3 313.401 3.851 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417016016 1022562212 /nfs/dbraw/zinc/56/22/12/1022562212.db2.gz CNUWSGHNASXQKG-UHFFFAOYSA-N -1 3 313.401 3.849 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C(C)C)C2CC(C)(C)C2)cc1[O-] ZINC000616157051 1022652135 /nfs/dbraw/zinc/65/21/35/1022652135.db2.gz IXDMPHVLJBUFJI-UHFFFAOYSA-N -1 3 303.402 3.634 20 0 DHADHM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000158994738 1022678741 /nfs/dbraw/zinc/67/87/41/1022678741.db2.gz AJBBJMUWMZVGMX-KRWDZBQOSA-N -1 3 314.360 3.754 20 0 DHADHM CC(C)(C)OCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000855701104 1022680425 /nfs/dbraw/zinc/68/04/25/1022680425.db2.gz DDARUQRSSVEXMW-UHFFFAOYSA-N -1 3 307.415 3.542 20 0 DHADHM C[C@]1(CCNC(=O)c2cc3sccc3c([O-])c2)CC1(F)F ZINC000855805548 1022699825 /nfs/dbraw/zinc/69/98/25/1022699825.db2.gz BXBIGVAJLQDYMA-AWEZNQCLSA-N -1 3 311.353 3.772 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184210241 1022769647 /nfs/dbraw/zinc/76/96/47/1022769647.db2.gz ZZBDFIQYJHDBLB-MDZDMXLPSA-N -1 3 323.801 3.761 20 0 DHADHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nc(C)cs2)c1[O-] ZINC000184199674 1022774266 /nfs/dbraw/zinc/77/42/66/1022774266.db2.gz YPQCFQUSYJYRKN-VIFPVBQESA-N -1 3 324.833 3.864 20 0 DHADHM O=C([O-])CC1(CNCc2csc(C3CC3)n2)CCCCC1 ZINC000417550461 1022780732 /nfs/dbraw/zinc/78/07/32/1022780732.db2.gz VQNPLFRPEJSIDE-UHFFFAOYSA-N -1 3 308.447 3.535 20 0 DHADHM O=C(CCc1ccc(Cl)s1)[N-]OCc1ccc(F)cc1 ZINC000184261425 1022795286 /nfs/dbraw/zinc/79/52/86/1022795286.db2.gz HSBXNQUPHFEUBG-UHFFFAOYSA-N -1 3 313.781 3.721 20 0 DHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OCC1CCC1 ZINC000856343730 1022799470 /nfs/dbraw/zinc/79/94/70/1022799470.db2.gz XNOGIVKWMJOAQA-UHFFFAOYSA-N -1 3 318.442 3.857 20 0 DHADHM Cc1ccc(-c2nc(-c3cnc4ccccc4c3)no2)c([O-])c1 ZINC000323646551 1022938246 /nfs/dbraw/zinc/93/82/46/1022938246.db2.gz TUHPGZIGGJLRLI-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1ccncc1[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941129 1022959858 /nfs/dbraw/zinc/95/98/58/1022959858.db2.gz JMLHYGCESXCYET-JTQLQIEISA-N -1 3 324.302 3.605 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](C2CC2)C1 ZINC000622055325 1023010218 /nfs/dbraw/zinc/01/02/18/1023010218.db2.gz FUXZNANCKUOLON-NSHDSACASA-N -1 3 313.319 3.673 20 0 DHADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cccc1N(C)C ZINC000857480181 1023017046 /nfs/dbraw/zinc/01/70/46/1023017046.db2.gz BQWQOFAWCLZWFA-UHFFFAOYSA-N -1 3 324.424 3.898 20 0 DHADHM N#Cc1csc(C(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000181265840 1023027117 /nfs/dbraw/zinc/02/71/17/1023027117.db2.gz CUNPLCLFYJJBMM-UHFFFAOYSA-N -1 3 320.786 3.530 20 0 DHADHM COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)ccc1[O-] ZINC000181302752 1023038522 /nfs/dbraw/zinc/03/85/22/1023038522.db2.gz YMLNASSBELBBAR-UXBLZVDNSA-N -1 3 319.769 3.906 20 0 DHADHM Cc1ccnc(NC(=O)c2cc([O-])ccc2Cl)c1C1CC1 ZINC000622147532 1023050230 /nfs/dbraw/zinc/05/02/30/1023050230.db2.gz DFIUBOBQQBIYAE-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000192723895 1023052953 /nfs/dbraw/zinc/05/29/53/1023052953.db2.gz YRMQEWTXVQMJEG-FZMZJTMJSA-N -1 3 305.809 3.946 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000622182566 1023057535 /nfs/dbraw/zinc/05/75/35/1023057535.db2.gz LLZNKSFWGOQGPP-CQSZACIVSA-N -1 3 303.402 3.530 20 0 DHADHM CCc1ccc(C(=O)N(CC)Cc2c(F)cccc2F)c([O-])c1 ZINC000622344644 1023120441 /nfs/dbraw/zinc/12/04/41/1023120441.db2.gz ZQSGRVUZXKTFBM-UHFFFAOYSA-N -1 3 319.351 3.895 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2c(F)cccc2F)c1 ZINC000622344440 1023120465 /nfs/dbraw/zinc/12/04/65/1023120465.db2.gz QINXVVYZCGEICC-UHFFFAOYSA-N -1 3 319.351 3.895 20 0 DHADHM CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000622352060 1023124474 /nfs/dbraw/zinc/12/44/74/1023124474.db2.gz NLFYMQRCHSWHPV-INIZCTEOSA-N -1 3 307.409 3.939 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(F)c1 ZINC000538607286 1033115638 /nfs/dbraw/zinc/11/56/38/1033115638.db2.gz CFPQGSMMGNALSE-UHFFFAOYSA-N -1 3 321.735 3.948 20 0 DHADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000769947603 1023242837 /nfs/dbraw/zinc/24/28/37/1023242837.db2.gz HTCRDPPCKFHNKO-CYBMUJFWSA-N -1 3 311.381 3.745 20 0 DHADHM O=C(CCNc1[n-]c(=O)c(Cl)cc1Cl)c1ccccc1 ZINC001170012139 1023251962 /nfs/dbraw/zinc/25/19/62/1023251962.db2.gz OCZBMRCALDWVTO-UHFFFAOYSA-N -1 3 311.168 3.779 20 0 DHADHM CSc1cc2c(cc1NCc1ccc([O-])c(F)c1)OCCO2 ZINC000893380281 1023277745 /nfs/dbraw/zinc/27/77/45/1023277745.db2.gz WGHGDCUXVVDHKJ-UHFFFAOYSA-N -1 3 321.373 3.637 20 0 DHADHM CCOc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)nc1C ZINC001167768276 1023310725 /nfs/dbraw/zinc/31/07/25/1023310725.db2.gz VOTYCGQFLZMZTH-UHFFFAOYSA-N -1 3 322.364 3.900 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCSC(C)(C)C2)c1 ZINC001157061240 1023560474 /nfs/dbraw/zinc/56/04/74/1023560474.db2.gz YMGPUIWLVYXFPC-SNVBAGLBSA-N -1 3 311.472 3.518 20 0 DHADHM O=C(OCc1noc(C2CCCCC2)n1)c1cc2occc2[n-]1 ZINC000786029489 1023649088 /nfs/dbraw/zinc/64/90/88/1023649088.db2.gz DPNOEVYOCVADDZ-UHFFFAOYSA-N -1 3 315.329 3.549 20 0 DHADHM Cc1cc(C)c(C(=O)COC(=O)c2cc3occc3[n-]2)cc1C ZINC000786030659 1023652738 /nfs/dbraw/zinc/65/27/38/1023652738.db2.gz VEGITQISLLSNNG-UHFFFAOYSA-N -1 3 311.337 3.726 20 0 DHADHM O=C(OCc1ncc(Cl)cc1Cl)c1cc2occc2[n-]1 ZINC000786033857 1023654257 /nfs/dbraw/zinc/65/42/57/1023654257.db2.gz UMACYOMRWUGDSB-UHFFFAOYSA-N -1 3 311.124 3.820 20 0 DHADHM Cc1cnc([C@H](C)OC(=O)c2cc3sccc3c([O-])c2)o1 ZINC000786138081 1023667032 /nfs/dbraw/zinc/66/70/32/1023667032.db2.gz QXOKQQCGASUKGO-VIFPVBQESA-N -1 3 303.339 3.821 20 0 DHADHM Cc1nc2ccc(Cl)cn2c1NC(=O)c1cccc(C)c1[O-] ZINC000786648282 1023716520 /nfs/dbraw/zinc/71/65/20/1023716520.db2.gz QNENLLIQJBJUBM-UHFFFAOYSA-N -1 3 315.760 3.562 20 0 DHADHM CCOc1ccc(OC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786706751 1023717899 /nfs/dbraw/zinc/71/78/99/1023717899.db2.gz GBNSFCOMYWDXPT-UHFFFAOYSA-N -1 3 318.344 3.858 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000049375346 1023769630 /nfs/dbraw/zinc/76/96/30/1023769630.db2.gz LPWIFPYNTYTGKP-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C([N-]C1(c2ccc(C(F)(F)F)cc2)CCCC1)C(F)F ZINC000787507389 1023797863 /nfs/dbraw/zinc/79/78/63/1023797863.db2.gz AYAXENNGCGPPRX-UHFFFAOYSA-N -1 3 307.262 3.856 20 0 DHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000048653024 1023801476 /nfs/dbraw/zinc/80/14/76/1023801476.db2.gz ODRBIMYCNDFYMT-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000787846638 1023826327 /nfs/dbraw/zinc/82/63/27/1023826327.db2.gz XOWSTYMUQQXHCX-LBPRGKRZSA-N -1 3 303.333 3.553 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OC[C@@H]1CC1(Cl)Cl ZINC000787847929 1023826409 /nfs/dbraw/zinc/82/64/09/1023826409.db2.gz JQVCLKJCRXBGNJ-JTQLQIEISA-N -1 3 321.175 3.591 20 0 DHADHM CC[C@H](C)CN(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652411185 1023851593 /nfs/dbraw/zinc/85/15/93/1023851593.db2.gz KBZOQYLPIPFCRC-JTQLQIEISA-N -1 3 314.223 3.625 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cc3sccc3c([O-])c2)[C@@H]1C ZINC000788297957 1023868386 /nfs/dbraw/zinc/86/83/86/1023868386.db2.gz FVHVBNZILFCUEO-NXEZZACHSA-N -1 3 307.440 3.573 20 0 DHADHM O=C([N-]OC[C@@H]1CCOC1)C1(C2CCCCC2)CCCCC1 ZINC000788568773 1023909310 /nfs/dbraw/zinc/90/93/10/1023909310.db2.gz DJOIRDRCTSQKFS-OAHLLOKOSA-N -1 3 309.450 3.602 20 0 DHADHM COc1ccccc1[C@H](NCc1cccc(C(C)C)c1)C(=O)[O-] ZINC000663259941 1023979740 /nfs/dbraw/zinc/97/97/40/1023979740.db2.gz JZCSNPJIKLSUBJ-SFHVURJKSA-N -1 3 313.397 3.734 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1[O-] ZINC000538765174 1033179597 /nfs/dbraw/zinc/17/95/97/1033179597.db2.gz CPAMNGQOXYRNAK-AWEZNQCLSA-N -1 3 324.424 3.687 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000452750674 1024179084 /nfs/dbraw/zinc/17/90/84/1024179084.db2.gz FRBPJENVLIMMQU-SCZZXKLOSA-N -1 3 312.207 3.838 20 0 DHADHM C[C@H](CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000746933158 1024339674 /nfs/dbraw/zinc/33/96/74/1024339674.db2.gz XITLIQJIQYAMHJ-SNVBAGLBSA-N -1 3 301.308 3.689 20 0 DHADHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccccn1 ZINC000005228262 1024392005 /nfs/dbraw/zinc/39/20/05/1024392005.db2.gz AJCGTXRDMHZFGR-IYPWXLATSA-N -1 3 305.175 3.730 20 0 DHADHM O=C([N-]c1c(F)ccnc1F)c1cc2ccc(F)cc2s1 ZINC001274527791 1024415361 /nfs/dbraw/zinc/41/53/61/1024415361.db2.gz YQJIXLWWZYXIRR-UHFFFAOYSA-N -1 3 308.284 3.966 20 0 DHADHM CCCCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000131810027 1024436375 /nfs/dbraw/zinc/43/63/75/1024436375.db2.gz REWXXNFDDBUJDJ-VQHVLOKHSA-N -1 3 314.385 3.518 20 0 DHADHM CC1(C)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C(C)(C)O1 ZINC000408291732 1024525091 /nfs/dbraw/zinc/52/50/91/1024525091.db2.gz PVYQVYWSPGLZJJ-INIZCTEOSA-N -1 3 313.397 3.621 20 0 DHADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792175760 1024643141 /nfs/dbraw/zinc/64/31/41/1024643141.db2.gz DRHVPVANVTZMNP-JTQLQIEISA-N -1 3 310.353 3.641 20 0 DHADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792175761 1024643866 /nfs/dbraw/zinc/64/38/66/1024643866.db2.gz DRHVPVANVTZMNP-SNVBAGLBSA-N -1 3 310.353 3.641 20 0 DHADHM Cc1cccc(F)c1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792199859 1024649025 /nfs/dbraw/zinc/64/90/25/1024649025.db2.gz MQLRXOLTQMPHJO-UHFFFAOYSA-N -1 3 309.340 3.923 20 0 DHADHM COc1cc(NCc2ccc([O-])c(F)c2)ccc1OC(C)C ZINC000893634734 1024658311 /nfs/dbraw/zinc/65/83/11/1024658311.db2.gz XVAJRUSFRUDHTE-UHFFFAOYSA-N -1 3 305.349 3.939 20 0 DHADHM COc1c(Cl)cc(-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001204829868 1024720174 /nfs/dbraw/zinc/72/01/74/1024720174.db2.gz CQHHYPZCSBCJDM-UHFFFAOYSA-N -1 3 321.167 3.849 20 0 DHADHM COc1c(Cl)cc(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001204829868 1024720182 /nfs/dbraw/zinc/72/01/82/1024720182.db2.gz CQHHYPZCSBCJDM-UHFFFAOYSA-N -1 3 321.167 3.849 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000027639417 1024724790 /nfs/dbraw/zinc/72/47/90/1024724790.db2.gz AFZMADPRNHAQHN-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OCCC(F)(F)F ZINC000792606538 1024733403 /nfs/dbraw/zinc/73/34/03/1024733403.db2.gz IMNTUUJURYBGIZ-NEPJUHHUSA-N -1 3 315.335 3.976 20 0 DHADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC000350898621 1024864041 /nfs/dbraw/zinc/86/40/41/1024864041.db2.gz RUODOJGTUUPHRG-UHFFFAOYSA-N -1 3 315.778 3.521 20 0 DHADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000606690132 1024964369 /nfs/dbraw/zinc/96/43/69/1024964369.db2.gz MBZDTCQTWPJWMZ-TZMCWYRMSA-N -1 3 308.397 3.547 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000120500116 1025037651 /nfs/dbraw/zinc/03/76/51/1025037651.db2.gz HKUCNGKEQDVITO-GFCCVEGCSA-N -1 3 313.426 3.898 20 0 DHADHM CCC[C@](C)(CC)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884485726 1025135425 /nfs/dbraw/zinc/13/54/25/1025135425.db2.gz FWNYAVSVGNXOTH-KRWDZBQOSA-N -1 3 318.373 3.702 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)nc2)n1 ZINC000884649960 1025208664 /nfs/dbraw/zinc/20/86/64/1025208664.db2.gz UWPHTJYEUXYHTP-XTBFLFJDSA-N -1 3 324.428 3.511 20 0 DHADHM CSCCO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000794182432 1025231093 /nfs/dbraw/zinc/23/10/93/1025231093.db2.gz DPDNWUSYBGQTOQ-UHFFFAOYSA-N -1 3 307.459 3.761 20 0 DHADHM CSCCO[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000794186886 1025231796 /nfs/dbraw/zinc/23/17/96/1025231796.db2.gz DFCXMUFQDZHLGX-UHFFFAOYSA-N -1 3 322.257 3.727 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000885219063 1025283269 /nfs/dbraw/zinc/28/32/69/1025283269.db2.gz HMJHBCQJQZCNNS-CZUORRHYSA-N -1 3 317.454 3.765 20 0 DHADHM O=C([N-]c1c(F)ccnc1F)c1nc2ccccc2cc1Cl ZINC001129483824 1025288497 /nfs/dbraw/zinc/28/84/97/1025288497.db2.gz LOXIMJLZQUTJPO-UHFFFAOYSA-N -1 3 319.698 3.814 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000051463137 1025434875 /nfs/dbraw/zinc/43/48/75/1025434875.db2.gz YVEKQCGZJGVJSX-KRWDZBQOSA-N -1 3 309.409 3.796 20 0 DHADHM O=C([N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(F)(F)C(F)F ZINC001129852165 1025438080 /nfs/dbraw/zinc/43/80/80/1025438080.db2.gz DWPLOVQAUHPVMB-KOLCDFICSA-N -1 3 323.717 3.993 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1[O-] ZINC000408409806 1025530910 /nfs/dbraw/zinc/53/09/10/1025530910.db2.gz DPPWVYUJCTUWBQ-UHFFFAOYSA-N -1 3 315.413 3.781 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000088717813 1025548604 /nfs/dbraw/zinc/54/86/04/1025548604.db2.gz SKXKEUWYEOLQAE-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000124089378 1025551504 /nfs/dbraw/zinc/55/15/04/1025551504.db2.gz VNLCLOSMPHNPPZ-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000354964156 1025559402 /nfs/dbraw/zinc/55/94/02/1025559402.db2.gz XVDXPKJNQNXLGA-CMPLNLGQSA-N -1 3 313.850 3.792 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2c(F)ccc(F)c2F)cc1F ZINC000129431147 1025617481 /nfs/dbraw/zinc/61/74/81/1025617481.db2.gz NKIJAAVGHHZKAB-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CC(C)Nc1cc(F)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000841702205 1025649887 /nfs/dbraw/zinc/64/98/87/1025649887.db2.gz LEPAFGAOUPOPJO-UHFFFAOYSA-N -1 3 316.380 3.631 20 0 DHADHM [O-]c1c(F)cc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000093335756 1025740509 /nfs/dbraw/zinc/74/05/09/1025740509.db2.gz JFNRYZFWVPKQRT-CYBMUJFWSA-N -1 3 307.315 3.799 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1[O-] ZINC000614861628 1025882401 /nfs/dbraw/zinc/88/24/01/1025882401.db2.gz QWFKVCJLPVQXCL-CZUORRHYSA-N -1 3 323.339 3.749 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1[O-] ZINC000614862583 1025905274 /nfs/dbraw/zinc/90/52/74/1025905274.db2.gz YTPULWIGNVQKBH-JKSUJKDBSA-N -1 3 309.365 3.645 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(-c2ccccc2)c1 ZINC000806762380 1025969142 /nfs/dbraw/zinc/96/91/42/1025969142.db2.gz CVRKUVOFPBENRV-QGZVFWFLSA-N -1 3 312.369 3.933 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(-c2ccccc2)c1 ZINC000806762380 1025969158 /nfs/dbraw/zinc/96/91/58/1025969158.db2.gz CVRKUVOFPBENRV-QGZVFWFLSA-N -1 3 312.369 3.933 20 0 DHADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cncc(Cl)n1 ZINC001130852221 1026026383 /nfs/dbraw/zinc/02/63/83/1026026383.db2.gz XTGBMYYNTFCJHB-UHFFFAOYSA-N -1 3 314.197 3.758 20 0 DHADHM CCCCOc1cccc(F)c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001211797133 1026039739 /nfs/dbraw/zinc/03/97/39/1026039739.db2.gz VEXDDBMCYXCWGM-UHFFFAOYSA-N -1 3 318.348 3.553 20 0 DHADHM COC(=O)c1c(C)c(OC)ccc1-c1c([O-])cccc1Cl ZINC001244049576 1026058151 /nfs/dbraw/zinc/05/81/51/1026058151.db2.gz FDZYIDCUBVURFV-UHFFFAOYSA-N -1 3 306.745 3.816 20 0 DHADHM Cc1cc([C@@H](C)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)oc1C(=O)[O-] ZINC000629364102 1026066481 /nfs/dbraw/zinc/06/64/81/1026066481.db2.gz IXXHHVABBPOJDO-OUAUKWLOSA-N -1 3 301.333 3.570 20 0 DHADHM CO[C@@H]1CCOc2c(NCc3ccc([O-])c(F)c3)cccc21 ZINC000894128854 1026086132 /nfs/dbraw/zinc/08/61/32/1026086132.db2.gz YSDHQWWWLGWZHP-MRXNPFEDSA-N -1 3 303.333 3.613 20 0 DHADHM CSc1nc2ccccc2c(C)c1[N-]C(=O)c1nocc1C ZINC001131158597 1026220069 /nfs/dbraw/zinc/22/00/69/1026220069.db2.gz LRSOFVSQPKOXRZ-UHFFFAOYSA-N -1 3 313.382 3.814 20 0 DHADHM CC[C@H](OCCOc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000664133810 1026242501 /nfs/dbraw/zinc/24/25/01/1026242501.db2.gz CUOJEGQSLCHYOQ-SFHVURJKSA-N -1 3 312.365 3.808 20 0 DHADHM Cc1ccc(CCCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000647796162 1026313069 /nfs/dbraw/zinc/31/30/69/1026313069.db2.gz LSBICVSMIGWOAR-UHFFFAOYSA-N -1 3 309.369 3.538 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000729357497 1026430138 /nfs/dbraw/zinc/43/01/38/1026430138.db2.gz XCKCPYMYMWLARN-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000729357497 1026430143 /nfs/dbraw/zinc/43/01/43/1026430143.db2.gz XCKCPYMYMWLARN-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000647835502 1026518000 /nfs/dbraw/zinc/51/80/00/1026518000.db2.gz JNQQOCMGQMCLCA-QMMMGPOBSA-N -1 3 308.765 3.783 20 0 DHADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000280669720 1026689452 /nfs/dbraw/zinc/68/94/52/1026689452.db2.gz GDSPBDSMEVINMT-UHFFFAOYSA-N -1 3 308.765 3.567 20 0 DHADHM COC[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000810606511 1026803898 /nfs/dbraw/zinc/80/38/98/1026803898.db2.gz XUULWRLSYQJQJP-JTQLQIEISA-N -1 3 301.795 3.711 20 0 DHADHM Cc1nccn1C[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810612054 1026808827 /nfs/dbraw/zinc/80/88/27/1026808827.db2.gz NKLMLFLVWMSVSH-MRVPVSSYSA-N -1 3 323.805 3.633 20 0 DHADHM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000421722717 1027044328 /nfs/dbraw/zinc/04/43/28/1027044328.db2.gz PWBITKMMHREKEC-MRXNPFEDSA-N -1 3 311.381 3.506 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C12CCC(CC1)C2 ZINC000362254248 1027115721 /nfs/dbraw/zinc/11/57/21/1027115721.db2.gz VROQCERIXBMGKX-UHFFFAOYSA-N -1 3 322.368 3.737 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)nc1C ZINC000362420895 1027197989 /nfs/dbraw/zinc/19/79/89/1027197989.db2.gz GKAKHRBEYOCWBM-UHFFFAOYSA-N -1 3 318.760 3.512 20 0 DHADHM CCc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cs1 ZINC000028486153 1027274526 /nfs/dbraw/zinc/27/45/26/1027274526.db2.gz DYORFTBTZXIULD-UHFFFAOYSA-N -1 3 305.186 3.697 20 0 DHADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812788849 1027406810 /nfs/dbraw/zinc/40/68/10/1027406810.db2.gz CJOLPIXOGZGXTB-JTQLQIEISA-N -1 3 301.308 3.799 20 0 DHADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OC2CCC2)cc1 ZINC000812791096 1027409846 /nfs/dbraw/zinc/40/98/46/1027409846.db2.gz OVLNANIENWWSPO-UHFFFAOYSA-N -1 3 303.402 3.592 20 0 DHADHM CC(C)OCCO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000812804534 1027427813 /nfs/dbraw/zinc/42/78/13/1027427813.db2.gz OIFZMDHMYZPBDK-UHFFFAOYSA-N -1 3 319.445 3.823 20 0 DHADHM CCC(C)(CC)C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000158596311 1027586761 /nfs/dbraw/zinc/58/67/61/1027586761.db2.gz QCNKSMBMNYCAEO-UHFFFAOYSA-N -1 3 317.216 3.581 20 0 DHADHM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001134128421 1027910440 /nfs/dbraw/zinc/91/04/40/1027910440.db2.gz NYPFTRKPBLUIOO-CQSZACIVSA-N -1 3 324.384 3.581 20 0 DHADHM O=c1cc(CSC[C@H]2CCC(F)(F)C2)nc(C2CC2)[n-]1 ZINC000601056078 1027959995 /nfs/dbraw/zinc/95/99/95/1027959995.db2.gz HLEGRLGPEAKOMO-VIFPVBQESA-N -1 3 300.374 3.728 20 0 DHADHM O=C(NCc1cc2ccccc2[nH]1)c1cc([O-])c2ccccc2c1 ZINC000578054633 1028032026 /nfs/dbraw/zinc/03/20/26/1028032026.db2.gz CSIJEFITGPYJPZ-UHFFFAOYSA-N -1 3 316.360 3.957 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccco1)C1CCCC1 ZINC000448769138 1028055890 /nfs/dbraw/zinc/05/58/90/1028055890.db2.gz GZMKHENNWSXYKM-UHFFFAOYSA-N -1 3 317.360 3.638 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000578634836 1028200479 /nfs/dbraw/zinc/20/04/79/1028200479.db2.gz LASJCUSYOCSXEW-MNOVXSKESA-N -1 3 321.323 3.807 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC2(CCCCC2)C1 ZINC000448972036 1028218643 /nfs/dbraw/zinc/21/86/43/1028218643.db2.gz WXVNORBSIFIDQC-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2CCCc3c(F)cccc32)c1F ZINC000449346873 1028561983 /nfs/dbraw/zinc/56/19/83/1028561983.db2.gz ARGCJDMJBXDGSV-HNNXBMFYSA-N -1 3 307.315 3.977 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCOc2ccccc21 ZINC000566825804 1028788383 /nfs/dbraw/zinc/78/83/83/1028788383.db2.gz FNROAFQYCFXWGF-NSHDSACASA-N -1 3 303.745 3.550 20 0 DHADHM COC(=O)c1cnc(S[C@@H](C)c2c(C)cc(C)cc2C)[n-]1 ZINC000566833577 1028790273 /nfs/dbraw/zinc/79/02/73/1028790273.db2.gz WASYFNDDOIJEAF-LBPRGKRZSA-N -1 3 304.415 3.975 20 0 DHADHM CC(F)(F)C(=O)[N-][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000816643314 1028968310 /nfs/dbraw/zinc/96/83/10/1028968310.db2.gz AVWQKHYLFQMVHU-LLVKDONJSA-N -1 3 323.261 3.808 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)[C@@H](C)C(C)(C)C ZINC000568098623 1029008167 /nfs/dbraw/zinc/00/81/67/1029008167.db2.gz LSLLREQQDMOXCL-LBPRGKRZSA-N -1 3 317.433 3.621 20 0 DHADHM CC(C)c1ccc(-c2ncc(CN(C)CCC(=O)[O-])s2)cc1 ZINC000262642300 1029015446 /nfs/dbraw/zinc/01/54/46/1029015446.db2.gz JDMLSZRVCAJOMD-UHFFFAOYSA-N -1 3 318.442 3.840 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C(C)(C)C)s2)n1 ZINC000628375113 1029022442 /nfs/dbraw/zinc/02/24/42/1029022442.db2.gz ZZQAMEAPUQHVKR-UHFFFAOYSA-N -1 3 319.474 3.875 20 0 DHADHM O=C(/C=C\COc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000816896461 1029029277 /nfs/dbraw/zinc/02/92/77/1029029277.db2.gz KNFMUMCPKBDWCT-DAXSKMNVSA-N -1 3 303.745 3.619 20 0 DHADHM Cc1cccc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC000449878893 1029065677 /nfs/dbraw/zinc/06/56/77/1029065677.db2.gz ZBAALTKPXDUONK-CYBMUJFWSA-N -1 3 301.361 3.568 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000449916239 1029080338 /nfs/dbraw/zinc/08/03/38/1029080338.db2.gz WHHOFTQPDWGJOF-HOTGVXAUSA-N -1 3 313.372 3.731 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000411290850 1029092952 /nfs/dbraw/zinc/09/29/52/1029092952.db2.gz KNUUNLWGNKTKNL-KGLIPLIRSA-N -1 3 322.368 3.587 20 0 DHADHM Cc1cc2occ(CC(=O)[N-]OCC3CC3)c2cc1C(C)C ZINC000817354009 1029126884 /nfs/dbraw/zinc/12/68/84/1029126884.db2.gz FYIOOAUCOZANLK-UHFFFAOYSA-N -1 3 301.386 3.865 20 0 DHADHM Cc1ccc(O[C@H](C)CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000568938437 1029148415 /nfs/dbraw/zinc/14/84/15/1029148415.db2.gz AVPNZMBOVBFOAQ-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(Cl)nc1 ZINC000190794636 1029158327 /nfs/dbraw/zinc/15/83/27/1029158327.db2.gz ZDNCEAWETOFAHU-UHFFFAOYSA-N -1 3 301.148 3.523 20 0 DHADHM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OCCC1CC1 ZINC000817426310 1029161699 /nfs/dbraw/zinc/16/16/99/1029161699.db2.gz XQVUVSCVTMWRBM-UHFFFAOYSA-N -1 3 317.429 3.789 20 0 DHADHM COc1cccc([C@H](C)C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000569158170 1029185178 /nfs/dbraw/zinc/18/51/78/1029185178.db2.gz QDWKUDXGUCNHNS-JTQLQIEISA-N -1 3 305.761 3.796 20 0 DHADHM O=C([N-]OCc1ccccc1)Nc1nc2c(s1)CCCCC2 ZINC000043605477 1029232760 /nfs/dbraw/zinc/23/27/60/1029232760.db2.gz JOFBCDXUEFVSDN-UHFFFAOYSA-N -1 3 317.414 3.665 20 0 DHADHM COC[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000191042334 1029262117 /nfs/dbraw/zinc/26/21/17/1029262117.db2.gz GRUICALXNUGHBE-AWEZNQCLSA-N -1 3 309.768 3.662 20 0 DHADHM Nc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000817922482 1029275513 /nfs/dbraw/zinc/27/55/13/1029275513.db2.gz HJGJBBRCOIWJCE-KRWDZBQOSA-N -1 3 310.397 3.732 20 0 DHADHM CCCN(C(=O)c1ccc(N)cc1[O-])[C@@H](CC)c1ccccc1 ZINC000817917530 1029277312 /nfs/dbraw/zinc/27/73/12/1029277312.db2.gz RBCZFRHHJWZQIU-KRWDZBQOSA-N -1 3 312.413 3.978 20 0 DHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817951470 1029294683 /nfs/dbraw/zinc/29/46/83/1029294683.db2.gz GLWJLBVEOBFOFS-SJLPKXTDSA-N -1 3 324.424 3.691 20 0 DHADHM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])c1C ZINC000817954587 1029295302 /nfs/dbraw/zinc/29/53/02/1029295302.db2.gz ZIUMTOSQUQVXGO-GOSISDBHSA-N -1 3 324.424 3.959 20 0 DHADHM C[C@]12CCCC[C@H]1CN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000629617913 1029388839 /nfs/dbraw/zinc/38/88/39/1029388839.db2.gz HOGPGRAUKYBLIZ-KSSFIOAISA-N -1 3 305.393 3.645 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCC2(CC2)CC1 ZINC000629640607 1029397286 /nfs/dbraw/zinc/39/72/86/1029397286.db2.gz FTGQXPQXTIHMIJ-UHFFFAOYSA-N -1 3 324.218 3.561 20 0 DHADHM CN(CCC1=CCCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000450758868 1029647802 /nfs/dbraw/zinc/64/78/02/1029647802.db2.gz PFYDYLGZWOTQCS-UHFFFAOYSA-N -1 3 303.431 3.719 20 0 DHADHM O=C(C=CSc1ccccc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820219287 1029704263 /nfs/dbraw/zinc/70/42/63/1029704263.db2.gz UZQZKTGOUGZLSD-HJWRWDBZSA-N -1 3 311.366 3.513 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C3(C)CCC(F)(F)CC3)n[n-]2)o1 ZINC000530266761 1029794795 /nfs/dbraw/zinc/79/47/95/1029794795.db2.gz POGOUHYGGXUTDR-UHFFFAOYSA-N -1 3 324.331 3.527 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000794862845 1030002756 /nfs/dbraw/zinc/00/27/56/1030002756.db2.gz GXFQHGDVNWRYHH-CQSZACIVSA-N -1 3 305.418 3.770 20 0 DHADHM CC[C@H]([N-]c1nnc(C(F)F)o1)c1cccc(OC)c1OC ZINC000866140469 1030140369 /nfs/dbraw/zinc/14/03/69/1030140369.db2.gz KLSWDCUUJDJPBW-VIFPVBQESA-N -1 3 313.304 3.588 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(C(F)(F)F)nc2)c1F ZINC000357719369 1030162909 /nfs/dbraw/zinc/16/29/09/1030162909.db2.gz ZHCOWWMVWBNLHQ-UHFFFAOYSA-N -1 3 304.218 3.696 20 0 DHADHM CC[C@@](C)(NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000823185311 1030221574 /nfs/dbraw/zinc/22/15/74/1030221574.db2.gz OWLWWXMZJONZCQ-GOSISDBHSA-N -1 3 301.361 3.515 20 0 DHADHM [O-]c1ccc(Nc2ncc(Br)cc2F)c(F)c1F ZINC001212000086 1030565172 /nfs/dbraw/zinc/56/51/72/1030565172.db2.gz MPHVTYPRVCKDLA-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM C[S@](=O)(=NC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCCC1 ZINC000926011346 1030576397 /nfs/dbraw/zinc/57/63/97/1030576397.db2.gz RPDPUSARDJZDHK-LJQANCHMSA-N -1 3 323.245 3.892 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC001171061824 1030598164 /nfs/dbraw/zinc/59/81/64/1030598164.db2.gz UTZCXOYVRCQSJK-AWEZNQCLSA-N -1 3 301.773 3.771 20 0 DHADHM [O-]c1ccc(Nc2cc(O)ccc2Br)c(F)c1F ZINC001212007570 1030642336 /nfs/dbraw/zinc/64/23/36/1030642336.db2.gz NZTQFAXPYVZKLW-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc(F)c1 ZINC000926142538 1030631086 /nfs/dbraw/zinc/63/10/86/1030631086.db2.gz KURVJZZCIQVKDR-CLAHSXSESA-N -1 3 309.287 3.594 20 0 DHADHM COC(=O)c1ccc(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001212007679 1030642300 /nfs/dbraw/zinc/64/23/00/1030642300.db2.gz WUPKAHFYHBDHRQ-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1cc(OC)c(F)c(Nc2ccc([O-])c(F)c2F)c1F ZINC001212007661 1030643789 /nfs/dbraw/zinc/64/37/89/1030643789.db2.gz VARQDLWKEWNRKV-UHFFFAOYSA-N -1 3 317.238 3.709 20 0 DHADHM [O-]c1ccc(Nc2ccc(Cn3ccnc3)cc2)c(F)c1F ZINC001212009449 1030651035 /nfs/dbraw/zinc/65/10/35/1030651035.db2.gz OPFJSCVJMZRTNJ-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016347 1030671455 /nfs/dbraw/zinc/67/14/55/1030671455.db2.gz LSGUEFFYPGURLM-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000247845508 1030706181 /nfs/dbraw/zinc/70/61/81/1030706181.db2.gz DGHDTCQBLDQGQJ-VXGBXAGGSA-N -1 3 322.286 3.548 20 0 DHADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248684604 1030760861 /nfs/dbraw/zinc/76/08/61/1030760861.db2.gz GTQFNLNLQRYMQT-SGTLLEGYSA-N -1 3 319.351 3.632 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccco2)Cc2ccccc2)n1 ZINC000162205748 1031058839 /nfs/dbraw/zinc/05/88/39/1031058839.db2.gz JMGQXMNDYDQUAC-UHFFFAOYSA-N -1 3 308.381 3.891 20 0 DHADHM Cc1cccc(OCCCC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871209996 1031160104 /nfs/dbraw/zinc/16/01/04/1031160104.db2.gz OVVQZUQYQQPNRP-UHFFFAOYSA-N -1 3 319.323 3.544 20 0 DHADHM O=C([N-]OCCCC(F)(F)F)C1(Cc2ccc(F)cc2)CC1 ZINC000871215295 1031165306 /nfs/dbraw/zinc/16/53/06/1031165306.db2.gz XEFTUHXYNWZDCA-UHFFFAOYSA-N -1 3 319.298 3.539 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)cs1)c1cc(Cl)no1 ZINC001144062417 1031206250 /nfs/dbraw/zinc/20/62/50/1031206250.db2.gz UEYBOULTPUKXSM-UHFFFAOYSA-N -1 3 311.775 3.765 20 0 DHADHM CC(=O)N(c1ccc(NCc2cc([O-])cc(F)c2)cc1)C1CC1 ZINC000292912370 1031247414 /nfs/dbraw/zinc/24/74/14/1031247414.db2.gz FLSGIHRMNBNSKI-UHFFFAOYSA-N -1 3 314.360 3.659 20 0 DHADHM CC(C)(C)OCc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000928391804 1031304457 /nfs/dbraw/zinc/30/44/57/1031304457.db2.gz ILEJEHOOKNALHY-UHFFFAOYSA-N -1 3 324.384 3.525 20 0 DHADHM CC(C)(C)Cc1csc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000626373974 1031348814 /nfs/dbraw/zinc/34/88/14/1031348814.db2.gz WFWHTZADNIKHFG-UHFFFAOYSA-N -1 3 315.345 3.910 20 0 DHADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000171013722 1031349922 /nfs/dbraw/zinc/34/99/22/1031349922.db2.gz HDVAOVUREIOQCO-CQSZACIVSA-N -1 3 319.426 3.812 20 0 DHADHM CCOc1cccc(F)c1CN[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000871877216 1031366601 /nfs/dbraw/zinc/36/66/01/1031366601.db2.gz BPVUDULRKVZBIV-CHWSQXEVSA-N -1 3 311.397 3.594 20 0 DHADHM CCOc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1OC ZINC000872021347 1031402451 /nfs/dbraw/zinc/40/24/51/1031402451.db2.gz CACIWCOUCRHCLJ-GFCCVEGCSA-N -1 3 319.376 3.789 20 0 DHADHM CO[C@H](C)c1nc(CN[C@@H](C)c2cccc([O-])c2F)cs1 ZINC000872041765 1031425267 /nfs/dbraw/zinc/42/52/67/1031425267.db2.gz KVFOVHJZTBGRFH-VHSXEESVSA-N -1 3 310.394 3.546 20 0 DHADHM CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872066452 1031462895 /nfs/dbraw/zinc/46/28/95/1031462895.db2.gz NLGAPUGWGQVJKI-GARJFASQSA-N -1 3 306.385 3.575 20 0 DHADHM C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1F ZINC000872071438 1031467867 /nfs/dbraw/zinc/46/78/67/1031467867.db2.gz PBUUPFCFEOAFRQ-XHDPSFHLSA-N -1 3 323.795 3.959 20 0 DHADHM Cc1c(N[C@H](C)c2cccc([O-])c2F)cnn1C1CCOCC1 ZINC000872076309 1031472346 /nfs/dbraw/zinc/47/23/46/1031472346.db2.gz ZEHGELGXWUHSEL-LLVKDONJSA-N -1 3 319.380 3.561 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1F ZINC000537196375 1031528437 /nfs/dbraw/zinc/52/84/37/1031528437.db2.gz LSRKYEVFKMKQMO-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000293585768 1031529116 /nfs/dbraw/zinc/52/91/16/1031529116.db2.gz GHHCCGKVGXJHON-JTQLQIEISA-N -1 3 317.763 3.991 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(c3cccc(O)c3)CC2)c(F)c1 ZINC001144561697 1031713327 /nfs/dbraw/zinc/71/33/27/1031713327.db2.gz MBSYKDPSAWGVNA-UHFFFAOYSA-N -1 3 319.351 3.756 20 0 DHADHM CSCc1cnc(CNCc2ccc([O-])c(Cl)c2)s1 ZINC000873179089 1031741964 /nfs/dbraw/zinc/74/19/64/1031741964.db2.gz BPEVTKSGECOTEO-UHFFFAOYSA-N -1 3 314.863 3.655 20 0 DHADHM Cc1cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)ccc1Cl ZINC001144633168 1031780572 /nfs/dbraw/zinc/78/05/72/1031780572.db2.gz IDSRMIRUTYULOT-NSHDSACASA-N -1 3 321.779 3.913 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccccc3F)C2)cc1F ZINC001144665384 1031801637 /nfs/dbraw/zinc/80/16/37/1031801637.db2.gz AABRECKPYDUZAS-LLVKDONJSA-N -1 3 307.315 3.799 20 0 DHADHM COc1ccc([C@@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)cc1 ZINC001144659654 1031817541 /nfs/dbraw/zinc/81/75/41/1031817541.db2.gz OJEHPHDGEASDJM-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000626404495 1031863269 /nfs/dbraw/zinc/86/32/69/1031863269.db2.gz GCQRXCKSKSWKEC-WDEREUQCSA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)Oc1cccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c1 ZINC000361402458 1031907790 /nfs/dbraw/zinc/90/77/90/1031907790.db2.gz JAMIXWQUOQPXNZ-UHFFFAOYSA-N -1 3 316.307 3.656 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1Cl ZINC000294271595 1031911444 /nfs/dbraw/zinc/91/14/44/1031911444.db2.gz OLGJEGJPURMECA-UKRRQHHQSA-N -1 3 321.804 3.727 20 0 DHADHM CC(C)c1nnc(CO[N-]C(=O)CCC2CCCCC2)s1 ZINC000842027539 1031957874 /nfs/dbraw/zinc/95/78/74/1031957874.db2.gz BGWCQAAVUYRESS-UHFFFAOYSA-N -1 3 311.451 3.570 20 0 DHADHM CC(C)O[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000846368326 1031976162 /nfs/dbraw/zinc/97/61/62/1031976162.db2.gz XKDVLRPLKKUDIQ-INIZCTEOSA-N -1 3 313.397 3.575 20 0 DHADHM O=C(CCc1ccc(OC(F)F)cc1)[N-]OC1CCCCC1 ZINC000777958799 1032044248 /nfs/dbraw/zinc/04/42/48/1032044248.db2.gz PUXJKLIKMRIMSZ-UHFFFAOYSA-N -1 3 313.344 3.601 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H](C)C2)c1 ZINC001144918695 1032048712 /nfs/dbraw/zinc/04/87/12/1032048712.db2.gz KBDIMBHQLXGRGU-AWEZNQCLSA-N -1 3 309.409 3.757 20 0 DHADHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001137246551 1033340107 /nfs/dbraw/zinc/34/01/07/1033340107.db2.gz GKMJMBAGHLFDMR-GXTWGEPZSA-N -1 3 311.472 3.518 20 0 DHADHM Cc1ccc([C@H](C)NCc2nnc(-c3ccccc3[O-])o2)s1 ZINC000878416845 1033696133 /nfs/dbraw/zinc/69/61/33/1033696133.db2.gz SNHRWKYLMBHBCN-NSHDSACASA-N -1 3 315.398 3.663 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2ncco2)CC1 ZINC000862108057 1033763155 /nfs/dbraw/zinc/76/31/55/1033763155.db2.gz UQLCMLLBFNDETE-UHFFFAOYSA-N -1 3 322.364 3.553 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479482610 1033773370 /nfs/dbraw/zinc/77/33/70/1033773370.db2.gz JYMSEAKFBYHHGY-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM C[C@@H]1CSCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000889922407 1033778615 /nfs/dbraw/zinc/77/86/15/1033778615.db2.gz AWPBMOKEZYHRMZ-GFCCVEGCSA-N -1 3 301.411 3.513 20 0 DHADHM Cc1ccc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)cc1C ZINC000878691504 1033799794 /nfs/dbraw/zinc/79/97/94/1033799794.db2.gz DEOSWOBMRHCPGC-UHFFFAOYSA-N -1 3 323.396 3.691 20 0 DHADHM [O-]c1cccc(Nc2cc(F)cc(CO)c2)c1Br ZINC001212750591 1033829145 /nfs/dbraw/zinc/82/91/45/1033829145.db2.gz NJOATGKIGCBOJQ-UHFFFAOYSA-N -1 3 312.138 3.530 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)C1(F)F ZINC000862437102 1033852731 /nfs/dbraw/zinc/85/27/31/1033852731.db2.gz CKWJDTRNTOTRCH-TXEJJXNPSA-N -1 3 319.351 3.909 20 0 DHADHM Cc1cc(C(=O)CCC(=O)[N-]OCc2ccccc2)c(C)s1 ZINC000023040103 1033898714 /nfs/dbraw/zinc/89/87/14/1033898714.db2.gz MFAMFZGDCRJNDC-UHFFFAOYSA-N -1 3 317.410 3.576 20 0 DHADHM CCOC(=O)c1nnsc1[N-]c1cc(C(C)C)ccc1OC ZINC001173915861 1033946891 /nfs/dbraw/zinc/94/68/91/1033946891.db2.gz FZIMJENSOLCRPF-UHFFFAOYSA-N -1 3 321.402 3.590 20 0 DHADHM [O-]c1cccc(Nc2ccc3c(c2)OCCO3)c1Br ZINC001173878360 1033962312 /nfs/dbraw/zinc/96/23/12/1033962312.db2.gz JHTZCCFCWRBKLU-UHFFFAOYSA-N -1 3 322.158 3.670 20 0 DHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)s1 ZINC000339048878 1033972787 /nfs/dbraw/zinc/97/27/87/1033972787.db2.gz QITRWRKHVRYQCL-AWEZNQCLSA-N -1 3 324.471 3.517 20 0 DHADHM COc1ccc(OC)c(OC)c1Nc1cccc(Cl)c1[O-] ZINC001174054033 1034059075 /nfs/dbraw/zinc/05/90/75/1034059075.db2.gz DOHBYISSXTXLDZ-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c([O-])c1 ZINC000554271731 1034060601 /nfs/dbraw/zinc/06/06/01/1034060601.db2.gz CZEFYCFLLQBAKJ-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000176626656 1034100275 /nfs/dbraw/zinc/10/02/75/1034100275.db2.gz QTQWYRNECGDPGF-UHFFFAOYSA-N -1 3 324.475 3.743 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174125873 1034148915 /nfs/dbraw/zinc/14/89/15/1034148915.db2.gz XUDRXNLGUQXNSP-UHFFFAOYSA-N -1 3 319.792 3.713 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174187170 1034203800 /nfs/dbraw/zinc/20/38/00/1034203800.db2.gz ZVQNZMOPGIXAPS-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM CC(C)(COCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000554570378 1034223756 /nfs/dbraw/zinc/22/37/56/1034223756.db2.gz LTSDFJRWMZWHBP-UHFFFAOYSA-N -1 3 317.360 3.713 20 0 DHADHM Cc1sc2[n-]c([C@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000178984312 1034276378 /nfs/dbraw/zinc/27/63/78/1034276378.db2.gz SCUYVUKKESQHTP-GFCCVEGCSA-N -1 3 312.394 3.812 20 0 DHADHM Cc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051092 1034278874 /nfs/dbraw/zinc/27/88/74/1034278874.db2.gz AGSMKOUDMXJAHM-UONOGXRCSA-N -1 3 321.417 3.502 20 0 DHADHM O=c1[n-]cncc1Nc1cccc(OCc2ccccc2F)c1 ZINC001174309940 1034279235 /nfs/dbraw/zinc/27/92/35/1034279235.db2.gz BTNCFZKJPZTCNJ-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM Cc1ccc(Nc2cc(C(F)(F)F)nn2C)c(Cl)c1[O-] ZINC001174327318 1034290857 /nfs/dbraw/zinc/29/08/57/1034290857.db2.gz HNWJDQYNYBNZFV-UHFFFAOYSA-N -1 3 305.687 3.850 20 0 DHADHM Cn1cc(-c2ccc(Nc3ccc([O-])c(F)c3F)cc2)cn1 ZINC001174377564 1034351167 /nfs/dbraw/zinc/35/11/67/1034351167.db2.gz CHIBDCUZDUIZJR-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2cc(F)ccc21 ZINC000554820047 1034353465 /nfs/dbraw/zinc/35/34/65/1034353465.db2.gz GSEAJGCRIUCHLN-UHFFFAOYSA-N -1 3 307.324 3.887 20 0 DHADHM CC(C)(C)c1csc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)n1 ZINC000864514926 1034370345 /nfs/dbraw/zinc/37/03/45/1034370345.db2.gz WZCCUSGIVNBHOV-NEPJUHHUSA-N -1 3 324.490 3.810 20 0 DHADHM Cc1nc(CNC[C@@H](CC(=O)[O-])C2CCCCCC2)cs1 ZINC000864522570 1034374475 /nfs/dbraw/zinc/37/44/75/1034374475.db2.gz QSQNPEUIPMQNRX-CQSZACIVSA-N -1 3 310.463 3.602 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000185536825 1034557136 /nfs/dbraw/zinc/55/71/36/1034557136.db2.gz OQVGDRBZFCPYLV-SFHVURJKSA-N -1 3 317.360 3.701 20 0 DHADHM Cc1ccc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1[O-] ZINC001174710312 1034574863 /nfs/dbraw/zinc/57/48/63/1034574863.db2.gz NZAWDAPNKLHGKK-UHFFFAOYSA-N -1 3 318.804 3.934 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001174764045 1034595664 /nfs/dbraw/zinc/59/56/64/1034595664.db2.gz XQRPQCYVOUSFEF-HNNXBMFYSA-N -1 3 305.324 3.534 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](c3nccs3)C2)c([O-])c1 ZINC000881696513 1034678867 /nfs/dbraw/zinc/67/88/67/1034678867.db2.gz BSKBCPABXIPJCR-ZDUSSCGKSA-N -1 3 316.426 3.602 20 0 DHADHM COc1cc(Nc2ncc(Br)cc2[O-])ccc1C ZINC001175014276 1034736762 /nfs/dbraw/zinc/73/67/62/1034736762.db2.gz YVSOOPQBUXXLRO-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(O)c(Br)c2)c(F)c1 ZINC001175099706 1034781242 /nfs/dbraw/zinc/78/12/42/1034781242.db2.gz GQDFUCRETJAGTD-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CC1(C)COC(c2ccccc2Nc2c(F)cc([O-])cc2F)=N1 ZINC001175102923 1034783663 /nfs/dbraw/zinc/78/36/63/1034783663.db2.gz PCVJSABBCJXJLN-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM O=C1c2cc(Nc3c(F)cc([O-])cc3F)ccc2CN1C1CC1 ZINC001175102416 1034784624 /nfs/dbraw/zinc/78/46/24/1034784624.db2.gz KMTCCZSVOSTUPX-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM COCCOc1cccc(F)c1Nc1c(F)cc([O-])cc1F ZINC001175103669 1034785636 /nfs/dbraw/zinc/78/56/36/1034785636.db2.gz VDQYCAGLPUEEDT-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM O=c1cc(Nc2ccc(F)c(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001175073579 1034796381 /nfs/dbraw/zinc/79/63/81/1034796381.db2.gz TYXYHFNPPKSPLH-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM O=C(CCSc1ccccc1Cl)[N-]Oc1ccccc1 ZINC000773465872 1034841181 /nfs/dbraw/zinc/84/11/81/1034841181.db2.gz KASLSHKQYHEOET-UHFFFAOYSA-N -1 3 307.802 3.932 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(C)C)cc2)cc1N ZINC001175295458 1034905652 /nfs/dbraw/zinc/90/56/52/1034905652.db2.gz FAEKECNTFMGVOB-UHFFFAOYSA-N -1 3 318.442 3.577 20 0 DHADHM Cc1ncc(Nc2c(F)ccc([O-])c2F)cc1Br ZINC001175263945 1034911375 /nfs/dbraw/zinc/91/13/75/1034911375.db2.gz ZCOODGIQPXYSNH-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2Cc2ccccc2F)c1F ZINC001175262864 1034911507 /nfs/dbraw/zinc/91/15/07/1034911507.db2.gz PEWMASXJTLWQAI-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnc(Br)c2)c1F ZINC001175263241 1034911636 /nfs/dbraw/zinc/91/16/36/1034911636.db2.gz QLTQOTIWYGFZLO-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1cc(Nc2c(F)ccc([O-])c2F)cc(Br)n1 ZINC001175264097 1034911948 /nfs/dbraw/zinc/91/19/48/1034911948.db2.gz RVGBYHRJPKIHFK-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1ncc(Br)cc1Nc1c(F)ccc([O-])c1F ZINC001175263939 1034912377 /nfs/dbraw/zinc/91/23/77/1034912377.db2.gz YVYFRTVQURWDMC-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1ccccc1-n1nccc1Nc1c(F)ccc([O-])c1F ZINC001175265882 1034913508 /nfs/dbraw/zinc/91/35/08/1034913508.db2.gz LUDFQAAOOHCGHG-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM CC(C)c1cnn2cc(Nc3c(F)ccc([O-])c3F)cnc12 ZINC001175266709 1034913923 /nfs/dbraw/zinc/91/39/23/1034913923.db2.gz XQPVXXMMERUQKL-UHFFFAOYSA-N -1 3 304.300 3.580 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(C)c1 ZINC001175266063 1034914502 /nfs/dbraw/zinc/91/45/02/1034914502.db2.gz UHNXEYZJPUWUCV-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM CCOC(=O)c1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175268700 1034914653 /nfs/dbraw/zinc/91/46/53/1034914653.db2.gz QHYZGTNRBKKYDU-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COc1ccc(-n2nccc2Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265576 1034915029 /nfs/dbraw/zinc/91/50/29/1034915029.db2.gz GPEHLSZGJAIATL-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COC(=O)C1(c2ccc(Nc3c(F)ccc([O-])c3F)cc2)CC1 ZINC001175267624 1034915079 /nfs/dbraw/zinc/91/50/79/1034915079.db2.gz CXAZEKRJGDFDJE-UHFFFAOYSA-N -1 3 319.307 3.619 20 0 DHADHM COc1cc(Nc2c(F)ccc([O-])c2F)cc2cccnc21 ZINC001175269128 1034916569 /nfs/dbraw/zinc/91/65/69/1034916569.db2.gz CYMKGTKUHDAIQQ-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)cc1[O-] ZINC001175328384 1034935311 /nfs/dbraw/zinc/93/53/11/1034935311.db2.gz CPQCBPASICDCJV-OAHLLOKOSA-N -1 3 315.413 3.637 20 0 DHADHM O=c1ccn(-c2ccc(Nc3ccc4ncccc4c3)cc2)[n-]1 ZINC001175378036 1034961273 /nfs/dbraw/zinc/96/12/73/1034961273.db2.gz WNHLMQCEKOLZKA-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM Cc1ccc(OC(C)C)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430854 1034981097 /nfs/dbraw/zinc/98/10/97/1034981097.db2.gz ZGJYRJPONVVVOW-UHFFFAOYSA-N -1 3 309.373 3.706 20 0 DHADHM CC(C)(C)Oc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175431995 1034981323 /nfs/dbraw/zinc/98/13/23/1034981323.db2.gz FFRHACBHRUAFRF-UHFFFAOYSA-N -1 3 309.373 3.788 20 0 DHADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(-c2ccncc2)c1 ZINC001175430295 1034981369 /nfs/dbraw/zinc/98/13/69/1034981369.db2.gz OVDDMAHNUOYFEW-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Cn1cc2ccc(Nc3cccc([O-])c3Br)cc2n1 ZINC001175616816 1035066720 /nfs/dbraw/zinc/06/67/20/1035066720.db2.gz XXQCMYBINVKLFN-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Cc1n[nH]c2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc12 ZINC001175701726 1035072809 /nfs/dbraw/zinc/07/28/09/1035072809.db2.gz IVPPSIUUXRLMAJ-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM Cc1[nH]nc2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc12 ZINC001175701726 1035072817 /nfs/dbraw/zinc/07/28/17/1035072817.db2.gz IVPPSIUUXRLMAJ-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM COc1cc(F)c(C(C)C)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001175833733 1035128335 /nfs/dbraw/zinc/12/83/35/1035128335.db2.gz XMOGPVQVPZJRBR-UHFFFAOYSA-N -1 3 318.348 3.506 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cccnc1OCc1ccccc1 ZINC001175876090 1035151299 /nfs/dbraw/zinc/15/12/99/1035151299.db2.gz FSGCJOCFIGOKMK-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM CCOc1ccc2ccccc2c1Nc1ccc(C(N)=O)c([O-])c1 ZINC001175979811 1035172742 /nfs/dbraw/zinc/17/27/42/1035172742.db2.gz IHHJBPVQGAAWOA-UHFFFAOYSA-N -1 3 322.364 3.787 20 0 DHADHM CN(C)C(=O)c1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001176048273 1035197157 /nfs/dbraw/zinc/19/71/57/1035197157.db2.gz ZALZXDLDVQGCEA-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM CC(C)(C)c1nnc([N-]c2cnn(Cc3cccs3)c2)s1 ZINC001176157436 1035219964 /nfs/dbraw/zinc/21/99/64/1035219964.db2.gz OPALZBJXOXXNEN-UHFFFAOYSA-N -1 3 319.459 3.886 20 0 DHADHM CCCOc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1Cl ZINC001176307633 1035249412 /nfs/dbraw/zinc/24/94/12/1035249412.db2.gz VXPOQUUWIFAZSV-UHFFFAOYSA-N -1 3 320.776 3.677 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(O)cc1F ZINC001176412627 1035268062 /nfs/dbraw/zinc/26/80/62/1035268062.db2.gz PVMWTAKSTHJNAA-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc(O)cc(Cl)c1 ZINC001176619900 1035302721 /nfs/dbraw/zinc/30/27/21/1035302721.db2.gz BNMVDMAAUBZLQW-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904005453 1035343258 /nfs/dbraw/zinc/34/32/58/1035343258.db2.gz RRWGYBRHCMUWOD-LIRRHRJNSA-N -1 3 324.424 3.512 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000484585417 1035367298 /nfs/dbraw/zinc/36/72/98/1035367298.db2.gz PSIRFVGJODPETN-UHFFFAOYSA-N -1 3 304.415 3.786 20 0 DHADHM CC[C@H](N[C@H]1C[C@H](NC(=O)[O-])C12CCC2)c1cc(F)ccc1F ZINC000904221849 1035385174 /nfs/dbraw/zinc/38/51/74/1035385174.db2.gz QPEYPIAWEYYZLO-KKUMJFAQSA-N -1 3 324.371 3.584 20 0 DHADHM CC(C)c1ccc(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c([O-])c1 ZINC001177923985 1035399360 /nfs/dbraw/zinc/39/93/60/1035399360.db2.gz OVPQAXSOWQNQBI-LQDVMPOASA-N -1 3 319.470 3.920 20 0 DHADHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436564432 1035403733 /nfs/dbraw/zinc/40/37/33/1035403733.db2.gz OQWJAWAHJGNPOP-CYBMUJFWSA-N -1 3 319.401 3.552 20 0 DHADHM N[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCCCC1 ZINC000904690558 1035441672 /nfs/dbraw/zinc/44/16/72/1035441672.db2.gz SPJNZWSYVWSWBV-AWEZNQCLSA-N -1 3 305.353 3.552 20 0 DHADHM [O-]c1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)ccc1F ZINC000904752392 1035447759 /nfs/dbraw/zinc/44/77/59/1035447759.db2.gz SMSDUHDOTKIEIR-LLVKDONJSA-N -1 3 306.308 3.753 20 0 DHADHM [O-]c1cc(-c2cc(C3CC3)nn2[C@H]2CCCCO2)ccc1F ZINC000904780994 1035452557 /nfs/dbraw/zinc/45/25/57/1035452557.db2.gz CMVRBHCEUOGIGZ-QGZVFWFLSA-N -1 3 302.349 3.971 20 0 DHADHM O=C(Nc1ccc(C(F)F)cc1)c1[n-]cnc1C(F)(F)F ZINC001179493645 1035481090 /nfs/dbraw/zinc/48/10/90/1035481090.db2.gz CPXVQCKOHAOEBE-UHFFFAOYSA-N -1 3 305.206 3.618 20 0 DHADHM O=C(Nc1ccc(C(F)F)cc1)c1nc[n-]c1C(F)(F)F ZINC001179493645 1035481093 /nfs/dbraw/zinc/48/10/93/1035481093.db2.gz CPXVQCKOHAOEBE-UHFFFAOYSA-N -1 3 305.206 3.618 20 0 DHADHM CCCO[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000668460763 1035537282 /nfs/dbraw/zinc/53/72/82/1035537282.db2.gz ANZAPZULDLANPP-CYBMUJFWSA-N -1 3 323.458 3.535 20 0 DHADHM C[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000457659126 1035578635 /nfs/dbraw/zinc/57/86/35/1035578635.db2.gz LQHIYWQYZRHJOH-ZCFIWIBFSA-N -1 3 315.213 3.938 20 0 DHADHM O=C(Nc1cccnc1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC001180183371 1035607459 /nfs/dbraw/zinc/60/74/59/1035607459.db2.gz CSJXZCXGWCSJEJ-UHFFFAOYSA-N -1 3 308.381 3.796 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C1(C(F)(F)F)CCCC1 ZINC001180479770 1035682922 /nfs/dbraw/zinc/68/29/22/1035682922.db2.gz FEJSSDAGLIWVGO-UHFFFAOYSA-N -1 3 315.291 3.656 20 0 DHADHM CC(C)Oc1ccc(Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000436902186 1035695698 /nfs/dbraw/zinc/69/56/98/1035695698.db2.gz JFNCGHUNXLFZNV-UHFFFAOYSA-N -1 3 310.353 3.820 20 0 DHADHM Cc1cccc(OCC(=O)Nc2cc([O-])cc(Cl)c2)c1C ZINC001180502355 1035708949 /nfs/dbraw/zinc/70/89/49/1035708949.db2.gz SMNPIBNIAWWPJM-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM CCc1ncsc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733924 1035710328 /nfs/dbraw/zinc/71/03/28/1035710328.db2.gz BJRIRNPMXAYNBY-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM CN(C[C@H]1CC1(C)C)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193745364 1035711812 /nfs/dbraw/zinc/71/18/12/1035711812.db2.gz HTAZSJOCCHJPLN-SECBINFHSA-N -1 3 301.308 3.529 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC001180936246 1035789612 /nfs/dbraw/zinc/78/96/12/1035789612.db2.gz DUAICJRRFDXFMU-FUHWJXTLSA-N -1 3 317.429 3.689 20 0 DHADHM O=C(CCc1ccccc1)C(=O)Nc1cc2ccccc2cc1[O-] ZINC001180965066 1035796291 /nfs/dbraw/zinc/79/62/91/1035796291.db2.gz AAJMCMUBSCZJGY-UHFFFAOYSA-N -1 3 319.360 3.686 20 0 DHADHM O=C([N-][C@H](c1ccccn1)C1CC1)C(F)(F)c1ccc(F)cc1 ZINC000906250510 1035862204 /nfs/dbraw/zinc/86/22/04/1035862204.db2.gz XBQSDRQWJVFATI-HNNXBMFYSA-N -1 3 320.314 3.580 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1ncccc1C(F)(F)F ZINC000906275379 1035876581 /nfs/dbraw/zinc/87/65/81/1035876581.db2.gz YFINRXFVMOJLSG-UHFFFAOYSA-N -1 3 313.279 3.773 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(-c2ccccc2)c[nH]c1=O ZINC001194219811 1035878188 /nfs/dbraw/zinc/87/81/88/1035878188.db2.gz KNZQQVKGXKCPKA-UHFFFAOYSA-N -1 3 324.311 3.551 20 0 DHADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001181337835 1035885963 /nfs/dbraw/zinc/88/59/63/1035885963.db2.gz UIWLBXLKQGCMQJ-JTQLQIEISA-N -1 3 307.752 3.972 20 0 DHADHM COc1cccc([C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153490256 1036033109 /nfs/dbraw/zinc/03/31/09/1036033109.db2.gz VHRPIXJBSWHVML-JTQLQIEISA-N -1 3 305.761 3.796 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C)c(C)c1C ZINC001194836071 1036050660 /nfs/dbraw/zinc/05/06/60/1036050660.db2.gz UIAPQNRTSYEPBI-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM O=c1cc(C=Cc2ccc(Cl)s2)nc(-c2ccncc2)[n-]1 ZINC000486099587 1036127723 /nfs/dbraw/zinc/12/77/23/1036127723.db2.gz CZGYQVNJHVKRPR-UPHRSURJSA-N -1 3 315.785 3.717 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(N(C)c3ccccc3)nc2)n1 ZINC000486143628 1036143483 /nfs/dbraw/zinc/14/34/83/1036143483.db2.gz CLJSPUSQCKUXMV-NTMALXAHSA-N -1 3 318.380 3.824 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(F)c1 ZINC001195268290 1036198484 /nfs/dbraw/zinc/19/84/84/1036198484.db2.gz RVFAWTUNVJSUAP-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM COc1cccc(Cl)c1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000228804941 1036205941 /nfs/dbraw/zinc/20/59/41/1036205941.db2.gz VJRFGXDOOSUWBL-LBPRGKRZSA-N -1 3 311.809 3.568 20 0 DHADHM CC1(C)CC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000541032350 1036223728 /nfs/dbraw/zinc/22/37/28/1036223728.db2.gz TXBOBRZYYWVUDW-VIFPVBQESA-N -1 3 312.207 3.920 20 0 DHADHM [O-]c1cccc(F)c1NC(=S)NCc1cccc(Cl)c1 ZINC001195976174 1036397826 /nfs/dbraw/zinc/39/78/26/1036397826.db2.gz VMCXUHFSMVMDNT-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C(F)=C1CCC1 ZINC000819100313 1036400275 /nfs/dbraw/zinc/40/02/75/1036400275.db2.gz GCVRPLJOAVCJTC-UHFFFAOYSA-N -1 3 300.127 3.501 20 0 DHADHM Cc1c(Cl)cc(F)c(NC([O-])=NO[C@@H]2CCCCO2)c1F ZINC000775688858 1036461234 /nfs/dbraw/zinc/46/12/34/1036461234.db2.gz CGTOQPSUHBBQHL-SNVBAGLBSA-N -1 3 320.723 3.506 20 0 DHADHM O=C(Cn1ccc2c1cccc2F)Nc1cc([O-])cc(Cl)c1 ZINC001182827011 1036466764 /nfs/dbraw/zinc/46/67/64/1036466764.db2.gz OMLQZJHGQFEUJR-UHFFFAOYSA-N -1 3 318.735 3.778 20 0 DHADHM O=C(OCc1ccc2c(c1)COC2)c1cc(Cl)c(Cl)[n-]1 ZINC000762162290 1036568626 /nfs/dbraw/zinc/56/86/26/1036568626.db2.gz KSIBMKMIVMUMGQ-UHFFFAOYSA-N -1 3 312.152 3.709 20 0 DHADHM CC(C)c1ccc(-c2cc(C(=O)Nc3cncc([O-])c3)no2)cc1 ZINC001196742446 1036606269 /nfs/dbraw/zinc/60/62/69/1036606269.db2.gz KEKKNQYCFKWRDA-UHFFFAOYSA-N -1 3 323.352 3.818 20 0 DHADHM C=Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC001196887377 1036632577 /nfs/dbraw/zinc/63/25/77/1036632577.db2.gz CWVSTMXAXZGVJV-UHFFFAOYSA-N -1 3 317.410 3.756 20 0 DHADHM C[C@@H](CCc1ccccc1)SCCC[N-]C(=O)C(F)(F)F ZINC000774675901 1036664900 /nfs/dbraw/zinc/66/49/00/1036664900.db2.gz URJDVMKYNMFSRZ-LBPRGKRZSA-N -1 3 319.392 3.810 20 0 DHADHM Cc1cccc([C@@H](C)SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774679994 1036666834 /nfs/dbraw/zinc/66/68/34/1036666834.db2.gz OPALGDMLZMQESZ-LLVKDONJSA-N -1 3 305.365 3.858 20 0 DHADHM O=C(/C=C\c1ccsc1)Nc1ccc(Br)cc1[O-] ZINC000915198182 1036697433 /nfs/dbraw/zinc/69/74/33/1036697433.db2.gz CIJNZIYOCCSLCG-RJRFIUFISA-N -1 3 324.199 3.868 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2nc(Cl)sc2C)s1 ZINC000762841300 1036960253 /nfs/dbraw/zinc/96/02/53/1036960253.db2.gz LWRNPUMLBRNVNK-UHFFFAOYSA-N -1 3 316.839 3.551 20 0 DHADHM O=C(Nc1cc(F)cc(F)c1F)c1cc([O-])ccc1Cl ZINC000236557488 1036965459 /nfs/dbraw/zinc/96/54/59/1036965459.db2.gz WDOMUOYNOKTLBS-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM [O-]c1cccc(Cl)c1NC(=S)Nc1ccc2c(c1)OCO2 ZINC001198288749 1036988389 /nfs/dbraw/zinc/98/83/89/1036988389.db2.gz XNQUBHRFENEVGP-UHFFFAOYSA-N -1 3 322.773 3.583 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccc(F)c(F)c1 ZINC001185054126 1037002273 /nfs/dbraw/zinc/00/22/73/1037002273.db2.gz XXFOCJMPLTUNGQ-UHFFFAOYSA-N -1 3 321.308 3.924 20 0 DHADHM CCN(Cc1cccc([O-])c1Br)CC(F)(F)F ZINC000315784886 1037055418 /nfs/dbraw/zinc/05/54/18/1037055418.db2.gz FPKLRUAOBRASGR-UHFFFAOYSA-N -1 3 312.129 3.539 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cc(C)ccc2F)c1[O-] ZINC001185258276 1037083639 /nfs/dbraw/zinc/08/36/39/1037083639.db2.gz SVOUYALIJVJPHX-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM O=S(=O)([N-]c1c(Cl)ccc2ncccc21)c1ccsc1 ZINC001185383946 1037120415 /nfs/dbraw/zinc/12/04/15/1037120415.db2.gz LLNWHUIIZIDUFT-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(F)c1F ZINC001198858978 1037149559 /nfs/dbraw/zinc/14/95/59/1037149559.db2.gz OPDHFQCSIUAZIY-UHFFFAOYSA-N -1 3 323.320 3.820 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1F ZINC001198862376 1037149935 /nfs/dbraw/zinc/14/99/35/1037149935.db2.gz SIVSPNMWNHHZKZ-UHFFFAOYSA-N -1 3 305.330 3.681 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Cl ZINC001185484237 1037157353 /nfs/dbraw/zinc/15/73/53/1037157353.db2.gz CCWRVWHUYWQWNG-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(/C=C/c1cncs1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000493161756 1037226351 /nfs/dbraw/zinc/22/63/51/1037226351.db2.gz SCWRFOUFXVHOKJ-DUXPYHPUSA-N -1 3 314.288 3.519 20 0 DHADHM CCOc1c(F)cc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001250222022 1037268676 /nfs/dbraw/zinc/26/86/76/1037268676.db2.gz WDZVNNBOMCDZEJ-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c([O-])c1 ZINC000912043810 1037281012 /nfs/dbraw/zinc/28/10/12/1037281012.db2.gz YPGXRDQVJZCLAX-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM Cc1c(Cl)onc1C(=O)[N-]c1cc(F)c(Cl)nc1Cl ZINC001199670706 1037303266 /nfs/dbraw/zinc/30/32/66/1037303266.db2.gz HXBHAQWFRPXRJC-UHFFFAOYSA-N -1 3 324.526 3.730 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1c(F)cc(F)cc1F ZINC001186059886 1037306648 /nfs/dbraw/zinc/30/66/48/1037306648.db2.gz PKCHQRPHTLNIGD-UHFFFAOYSA-N -1 3 324.258 3.656 20 0 DHADHM COc1cccc(CNC(=O)Nc2cc3ccccc3cc2[O-])c1 ZINC001186204697 1037335232 /nfs/dbraw/zinc/33/52/32/1037335232.db2.gz GLAUGNVTCAQATC-UHFFFAOYSA-N -1 3 322.364 3.876 20 0 DHADHM CCCc1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000097106473 1037374250 /nfs/dbraw/zinc/37/42/50/1037374250.db2.gz LHAQBFQVGGTWBS-UHFFFAOYSA-N -1 3 306.365 3.733 20 0 DHADHM O=C([N-]c1cc(Cl)cnc1Cl)c1ocnc1C(F)F ZINC001273836817 1037420766 /nfs/dbraw/zinc/42/07/66/1037420766.db2.gz LOOWFYQVRYIISL-UHFFFAOYSA-N -1 3 308.071 3.566 20 0 DHADHM Cc1ncc(CO)c(/C=N/C2CCC(c3ccccc3)CC2)c1[O-] ZINC000031854424 1037427615 /nfs/dbraw/zinc/42/76/15/1037427615.db2.gz XWPROPYOEUGBAT-WSDLNYQXSA-N -1 3 324.424 3.733 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000055687834 1037457391 /nfs/dbraw/zinc/45/73/91/1037457391.db2.gz PONCXHXHJCEKAZ-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccc(OC(C)C)cc2)n1 ZINC000763207877 1037475800 /nfs/dbraw/zinc/47/58/00/1037475800.db2.gz DROXYUSUABEWJS-UHFFFAOYSA-N -1 3 304.415 3.711 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2nc3ccccc3s2)n1 ZINC000763209376 1037485094 /nfs/dbraw/zinc/48/50/94/1037485094.db2.gz POOKDKABTXPXFQ-UHFFFAOYSA-N -1 3 303.412 3.534 20 0 DHADHM COc1cc(C(=O)NCCCCCCC(C)C)cc(OC)c1[O-] ZINC000763275911 1037548018 /nfs/dbraw/zinc/54/80/18/1037548018.db2.gz MNRPBZLRFDZZBX-UHFFFAOYSA-N -1 3 323.433 3.746 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000648948254 1037563796 /nfs/dbraw/zinc/56/37/96/1037563796.db2.gz IRJHSKSNGSRXBC-WBVHZDCISA-N -1 3 317.429 3.547 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001187130974 1037582197 /nfs/dbraw/zinc/58/21/97/1037582197.db2.gz XLHFZQHVNQIPJD-GXSJLCMTSA-N -1 3 313.394 3.593 20 0 DHADHM CC[C@@](C)(NC(=O)c1cc(SC)ccc1[O-])c1nccs1 ZINC000669034451 1037615393 /nfs/dbraw/zinc/61/53/93/1037615393.db2.gz OJAMVOYERXQYJO-OAHLLOKOSA-N -1 3 322.455 3.626 20 0 DHADHM Cc1cccc(Oc2cccc(N=c3ncnc4[nH][n-]cc3-4)c2)c1 ZINC001187405740 1037631063 /nfs/dbraw/zinc/63/10/63/1037631063.db2.gz RILGVEGWAPTNKY-UHFFFAOYSA-N -1 3 317.352 3.571 20 0 DHADHM O=c1ccnc(C=Cc2ccc(Cl)c(Br)c2)[n-]1 ZINC000776189954 1037686352 /nfs/dbraw/zinc/68/63/52/1037686352.db2.gz MIXIVQBDSAJHMF-DUXPYHPUSA-N -1 3 311.566 3.769 20 0 DHADHM CC(C)c1ccc(CCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000613341774 1037688781 /nfs/dbraw/zinc/68/87/81/1037688781.db2.gz ZWSWXNNFHAOJOX-UHFFFAOYSA-N -1 3 324.384 3.759 20 0 DHADHM O=C(CCCc1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000916156170 1037695655 /nfs/dbraw/zinc/69/56/55/1037695655.db2.gz KTOCPHVBXWTKDB-UHFFFAOYSA-N -1 3 303.789 3.911 20 0 DHADHM CCOc1ncc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001201511027 1037729538 /nfs/dbraw/zinc/72/95/38/1037729538.db2.gz ORDPSHRRENHMIP-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1[O-] ZINC001187867189 1037740495 /nfs/dbraw/zinc/74/04/95/1037740495.db2.gz ATNCZFQYXJHASA-UHFFFAOYSA-N -1 3 320.732 3.727 20 0 DHADHM CN(C)C(=O)c1cc(F)cc(Nc2cccc([O-])c2Cl)c1 ZINC001201526430 1037766818 /nfs/dbraw/zinc/76/68/18/1037766818.db2.gz BHBWXCKRZJBLBY-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM O=C(OCc1cccc(Cl)c1)c1cc(-c2ccco2)[n-]n1 ZINC000913300019 1037795447 /nfs/dbraw/zinc/79/54/47/1037795447.db2.gz WVWPVLFVHGJOOD-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM O=C(OCc1cccc(Cl)c1)c1cc(-c2ccco2)n[n-]1 ZINC000913300019 1037795451 /nfs/dbraw/zinc/79/54/51/1037795451.db2.gz WVWPVLFVHGJOOD-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM CCc1nnc(-c2ccc(NCc3cc([O-])cc(F)c3)cc2)o1 ZINC000185599997 1037822880 /nfs/dbraw/zinc/82/28/80/1037822880.db2.gz JCLHUYXKPVAQLQ-UHFFFAOYSA-N -1 3 313.332 3.756 20 0 DHADHM CCC1CCC(N(C(=O)c2ccc(OC)cc2[O-])C2CC2)CC1 ZINC000220050210 1037911565 /nfs/dbraw/zinc/91/15/65/1037911565.db2.gz GKLCWLVEFGMDSY-UHFFFAOYSA-N -1 3 317.429 3.974 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001188647349 1037942532 /nfs/dbraw/zinc/94/25/32/1037942532.db2.gz QWKDKBLOGTTWJU-UHFFFAOYSA-N -1 3 324.355 3.520 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001188647082 1037943126 /nfs/dbraw/zinc/94/31/26/1037943126.db2.gz LJXGLOSGNRCXMZ-KRWDZBQOSA-N -1 3 309.409 3.796 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC(C)(C)Cc1ccc(F)cc1 ZINC001188655304 1037944297 /nfs/dbraw/zinc/94/42/97/1037944297.db2.gz OGFNDEAGZQLGSW-UHFFFAOYSA-N -1 3 301.361 3.591 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cccc2cccnc21 ZINC001188647520 1037944552 /nfs/dbraw/zinc/94/45/52/1037944552.db2.gz ZDTDYJSYTDVRID-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1c(F)cccc1F ZINC001202029264 1037974141 /nfs/dbraw/zinc/97/41/41/1037974141.db2.gz ILYMOGUJIYVCOR-UHFFFAOYSA-N -1 3 321.308 3.924 20 0 DHADHM COC(=O)c1cnc(S[C@H](C)CCSc2ccccc2)[n-]1 ZINC000187598612 1037979226 /nfs/dbraw/zinc/97/92/26/1037979226.db2.gz NRXYHDWAZRWGLH-LLVKDONJSA-N -1 3 322.455 3.859 20 0 DHADHM O=C1Nc2ccc(Cl)cc2C1=N[N-]c1ncccc1Cl ZINC000054884485 1037991286 /nfs/dbraw/zinc/99/12/86/1037991286.db2.gz JAVRYKGUYPZEKY-UHFFFAOYSA-N -1 3 307.140 3.806 20 0 DHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000189033801 1038032114 /nfs/dbraw/zinc/03/21/14/1038032114.db2.gz NHMUOFCNMFVDLK-UHFFFAOYSA-N -1 3 323.389 3.759 20 0 DHADHM CCOc1ccccc1NC(=O)Nc1c([O-])cccc1C(C)=O ZINC001202147612 1038064486 /nfs/dbraw/zinc/06/44/86/1038064486.db2.gz XRKGEMIQAKGCHM-UHFFFAOYSA-N -1 3 314.341 3.638 20 0 DHADHM C[C@H](c1cc(F)ccc1F)N(C)CCc1ccccc1C(=O)[O-] ZINC000322166210 1038094625 /nfs/dbraw/zinc/09/46/25/1038094625.db2.gz WRWSQXOZVXJEGZ-GFCCVEGCSA-N -1 3 319.351 3.899 20 0 DHADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(-n2cccc2)s1 ZINC001189303043 1038105961 /nfs/dbraw/zinc/10/59/61/1038105961.db2.gz RNWKMHDBAXILSQ-UHFFFAOYSA-N -1 3 313.382 3.509 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC(C)(C)C2)c(F)cc1F ZINC001189310025 1038123215 /nfs/dbraw/zinc/12/32/15/1038123215.db2.gz UXLUFPFCEZMJPG-NSHDSACASA-N -1 3 317.401 3.520 20 0 DHADHM O=C(Nc1ccsc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748854 1038205546 /nfs/dbraw/zinc/20/55/46/1038205546.db2.gz NQFLINZQUUCEAU-UHFFFAOYSA-N -1 3 303.261 3.605 20 0 DHADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)c2cc(Cl)ccc2O1 ZINC001205485795 1038251901 /nfs/dbraw/zinc/25/19/01/1038251901.db2.gz FFCFKVHMOUMDAI-SNVBAGLBSA-N -1 3 307.752 3.972 20 0 DHADHM CCCc1nnsc1C(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001190165388 1038273660 /nfs/dbraw/zinc/27/36/60/1038273660.db2.gz BJFNZGRNGPTSQI-UHFFFAOYSA-N -1 3 322.777 3.538 20 0 DHADHM COCCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000032070491 1038351242 /nfs/dbraw/zinc/35/12/42/1038351242.db2.gz YXJZAQNVZYCGRN-XDHOZWIPSA-N -1 3 319.788 3.690 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cncc(C(F)(F)F)c1 ZINC001190935304 1038405142 /nfs/dbraw/zinc/40/51/42/1038405142.db2.gz LCSKYONRKGPXQC-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(C)(C)c1ccc(CNC(=O)c2ccc(=O)[n-]c2Cl)cc1 ZINC001190917621 1038406641 /nfs/dbraw/zinc/40/66/41/1038406641.db2.gz JBLKBXVVZOIFQA-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CC(C)[C@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccc(F)cc1 ZINC001190918271 1038407174 /nfs/dbraw/zinc/40/71/74/1038407174.db2.gz OSBIQSQAAFFICL-AWEZNQCLSA-N -1 3 322.767 3.707 20 0 DHADHM Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccn12 ZINC000080460418 1038462686 /nfs/dbraw/zinc/46/26/86/1038462686.db2.gz CEJWWJHFXGFNAT-LBPRGKRZSA-N -1 3 324.409 3.713 20 0 DHADHM CCCCc1ccc(S(=O)(=O)[N-]c2cc(O)ccc2F)cc1 ZINC001191248759 1038477251 /nfs/dbraw/zinc/47/72/51/1038477251.db2.gz HPTHIHNFQOZVHB-UHFFFAOYSA-N -1 3 323.389 3.675 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccnc(Oc2ccccc2)c1 ZINC001191803727 1038551291 /nfs/dbraw/zinc/55/12/91/1038551291.db2.gz YBONNOJZWUONSB-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCCCCCNC(=O)Nc1ccc(Br)cc1[O-] ZINC001191972622 1038577195 /nfs/dbraw/zinc/57/71/95/1038577195.db2.gz MFKBVUYGJCRKGL-UHFFFAOYSA-N -1 3 315.211 3.857 20 0 DHADHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cccc(Cl)c1Cl ZINC001192021085 1038580968 /nfs/dbraw/zinc/58/09/68/1038580968.db2.gz AHJKZNRCCKPXPJ-UHFFFAOYSA-N -1 3 320.241 3.604 20 0 DHADHM C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192336188 1038629180 /nfs/dbraw/zinc/62/91/80/1038629180.db2.gz SZYDHRQNMLJPMG-ZDUSSCGKSA-N -1 3 321.461 3.749 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC001192339798 1038631958 /nfs/dbraw/zinc/63/19/58/1038631958.db2.gz JXAVULBSCRVSNK-ZDUSSCGKSA-N -1 3 319.445 3.625 20 0 DHADHM COc1cccc([C@H](C)NC(=O)Nc2c([O-])cccc2Cl)c1 ZINC001192883342 1038711340 /nfs/dbraw/zinc/71/13/40/1038711340.db2.gz ZSVOOYJUHCZCJA-JTQLQIEISA-N -1 3 320.776 3.937 20 0 DHADHM CSCC[C@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598690301 1038840667 /nfs/dbraw/zinc/84/06/67/1038840667.db2.gz OZKOLLLLFGHCPC-VIFPVBQESA-N -1 3 321.364 3.625 20 0 DHADHM O=C(Nc1ccc(Cl)cc1F)c1c[n-]c2ccccc2c1=O ZINC000603170019 1038844820 /nfs/dbraw/zinc/84/48/20/1038844820.db2.gz PCCJCNHIIQIHTQ-UHFFFAOYSA-N -1 3 316.719 3.573 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC3(CC=CC3)[C@H]2c2ccccc2)n1 ZINC000646118313 1038875889 /nfs/dbraw/zinc/87/58/89/1038875889.db2.gz ILWUXWVSXIJVRG-LJQANCHMSA-N -1 3 321.424 3.638 20 0 DHADHM CC(C)N(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CC1 ZINC000058205455 1038991827 /nfs/dbraw/zinc/99/18/27/1038991827.db2.gz VGFMSFGXHFWUTG-UHFFFAOYSA-N -1 3 308.495 3.894 20 0 DHADHM CCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000058340737 1039113355 /nfs/dbraw/zinc/11/33/55/1039113355.db2.gz YWVHFKWDXXBJOL-QGOAFFKASA-N -1 3 321.376 3.676 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1 ZINC000604605583 1039506353 /nfs/dbraw/zinc/50/63/53/1039506353.db2.gz ICRWIRCGKZPABN-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc[n+]([O-])c1 ZINC000171535497 1039510756 /nfs/dbraw/zinc/51/07/56/1039510756.db2.gz OSHRHQTZGIPWPP-UHFFFAOYSA-N -1 3 322.817 3.726 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000608475131 1040507011 /nfs/dbraw/zinc/50/70/11/1040507011.db2.gz KJSFIESMBRXZGG-UHFFFAOYSA-N -1 3 301.430 3.997 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2cccnc2)no1 ZINC000320395887 334961966 /nfs/dbraw/zinc/96/19/66/334961966.db2.gz FCFSHSDILAHUOY-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM COc1cccc(Cl)c1CN[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000417541914 334962297 /nfs/dbraw/zinc/96/22/97/334962297.db2.gz ZEVVOXMXXKGDHR-VXGBXAGGSA-N -1 3 313.825 3.718 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc(Cl)sc2Cl)n1 ZINC000344042420 335211853 /nfs/dbraw/zinc/21/18/53/335211853.db2.gz BSPIJZPVMHPGKU-UHFFFAOYSA-N -1 3 319.217 3.654 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000191358387 334990044 /nfs/dbraw/zinc/99/00/44/334990044.db2.gz AFIMYSCOXHCCOU-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccsc2C)cc1 ZINC000417567745 334991433 /nfs/dbraw/zinc/99/14/33/334991433.db2.gz AQDIIQPAHCBTFX-INIZCTEOSA-N -1 3 319.426 3.761 20 0 DHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1sccc1Cl ZINC000417577583 334995934 /nfs/dbraw/zinc/99/59/34/334995934.db2.gz WTAAXDFPVZBRMW-CQSZACIVSA-N -1 3 323.845 3.967 20 0 DHADHM Cc1cc(Cl)cc(C)c1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417616642 335009254 /nfs/dbraw/zinc/00/92/54/335009254.db2.gz BHUOZQDJOZXUES-SNVBAGLBSA-N -1 3 323.742 3.700 20 0 DHADHM C[C@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417618662 335013193 /nfs/dbraw/zinc/01/31/93/335013193.db2.gz YEAIYDYXJUMKCA-MRVPVSSYSA-N -1 3 309.715 3.702 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1cc(Cl)c(OC)cc1Cl ZINC000417618250 335011862 /nfs/dbraw/zinc/01/18/62/335011862.db2.gz GHZZNZYMEFZJRX-SNVBAGLBSA-N -1 3 320.216 3.735 20 0 DHADHM CC(C)C[C@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000417629937 335018605 /nfs/dbraw/zinc/01/86/05/335018605.db2.gz QLHQLBRAWRDXSZ-CQSZACIVSA-N -1 3 318.442 3.647 20 0 DHADHM CCOc1ccc(OCCCC(=O)Nc2ccccc2[O-])cc1 ZINC000016482993 182046447 /nfs/dbraw/zinc/04/64/47/182046447.db2.gz JVTKEOQSFUSPRH-UHFFFAOYSA-N -1 3 315.369 3.589 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000019787877 182148297 /nfs/dbraw/zinc/14/82/97/182148297.db2.gz FNBWEMKBJPGWLW-AWEZNQCLSA-N -1 3 310.180 3.909 20 0 DHADHM C[C@H]([C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641382 335025783 /nfs/dbraw/zinc/02/57/83/335025783.db2.gz PQTARXQBYLZSSH-WPPNPWJKSA-N -1 3 320.191 3.721 20 0 DHADHM C[C@H]([C@H](NCc1csc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641195 335025803 /nfs/dbraw/zinc/02/58/03/335025803.db2.gz OUABPJPQPMZTRJ-WKEGUHRASA-N -1 3 308.230 3.644 20 0 DHADHM C[C@@H]([C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417640994 335025805 /nfs/dbraw/zinc/02/58/05/335025805.db2.gz OAFPBNUDZCXGBH-PXAZEXFGSA-N -1 3 315.369 3.661 20 0 DHADHM O=C([O-])CC1(CCNCc2c(F)cccc2F)CCCCC1 ZINC000417652094 335028324 /nfs/dbraw/zinc/02/83/24/335028324.db2.gz QJBZTHZAKJRQNO-UHFFFAOYSA-N -1 3 311.372 3.870 20 0 DHADHM O=C([O-])CC1(CCNCc2ncc(Cl)s2)CCCCC1 ZINC000417645679 335029105 /nfs/dbraw/zinc/02/91/05/335029105.db2.gz DXTKAQWNDNHYSC-UHFFFAOYSA-N -1 3 316.854 3.701 20 0 DHADHM Cc1ccc(C[C@H](NCc2ccsc2Cl)C(=O)[O-])cc1C ZINC000417654631 335030498 /nfs/dbraw/zinc/03/04/98/335030498.db2.gz RWTPXUXZVZSIRN-AWEZNQCLSA-N -1 3 323.845 3.804 20 0 DHADHM CC[C@@H](CCNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417671058 335039333 /nfs/dbraw/zinc/03/93/33/335039333.db2.gz QAIZLGRBECDXQK-QMMMGPOBSA-N -1 3 308.180 3.723 20 0 DHADHM CN(C)C(=O)c1cccc(-c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000065344341 184326224 /nfs/dbraw/zinc/32/62/24/184326224.db2.gz CCRDCGYWNZNSQF-UHFFFAOYSA-N -1 3 309.287 3.780 20 0 DHADHM C[C@@H](CC(C)(C)NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000417699688 335064136 /nfs/dbraw/zinc/06/41/36/335064136.db2.gz HRZDRAADBPUXEP-VIFPVBQESA-N -1 3 304.217 3.972 20 0 DHADHM Cc1ccc(C(F)(F)C(=O)[N-]Cc2ncc(C(C)(C)C)o2)cc1 ZINC000272686257 130052569 /nfs/dbraw/zinc/05/25/69/130052569.db2.gz PEJUAIZUYCFNRF-UHFFFAOYSA-N -1 3 322.355 3.689 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3csc(C(C)C)n3)no2)c1 ZINC000273790961 130168371 /nfs/dbraw/zinc/16/83/71/130168371.db2.gz HBKYNQFDPQMTAY-UHFFFAOYSA-N -1 3 315.398 3.921 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cc([O-])cc(F)c1 ZINC000274389659 130231382 /nfs/dbraw/zinc/23/13/82/130231382.db2.gz BYCHNAPEWNUXIP-LLVKDONJSA-N -1 3 305.397 3.642 20 0 DHADHM O=C(NCCC1=CCCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000274478277 130240018 /nfs/dbraw/zinc/24/00/18/130240018.db2.gz ZRPPCIGLAGZROK-UHFFFAOYSA-N -1 3 310.397 3.951 20 0 DHADHM C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1(C)C ZINC000275670066 130359097 /nfs/dbraw/zinc/35/90/97/130359097.db2.gz NCQANTWLQTVSCL-GWCFXTLKSA-N -1 3 300.358 3.551 20 0 DHADHM C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1(C)C ZINC000275670081 130359520 /nfs/dbraw/zinc/35/95/20/130359520.db2.gz NCQANTWLQTVSCL-ZWNOBZJWSA-N -1 3 300.358 3.551 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c([O-])c1 ZINC000285999114 131213966 /nfs/dbraw/zinc/21/39/66/131213966.db2.gz MNVOHGBAUGDNHV-MRXNPFEDSA-N -1 3 313.401 3.606 20 0 DHADHM CC(C)Cc1csc2[n-]c(-c3ccc(F)cn3)nc(=O)c12 ZINC000287306923 131274233 /nfs/dbraw/zinc/27/42/33/131274233.db2.gz UCRYVUIRGOTCSK-UHFFFAOYSA-N -1 3 303.362 3.797 20 0 DHADHM CCOc1cc(-c2noc(C3(OCC)CCCC3)n2)ccc1[O-] ZINC000289194888 131364387 /nfs/dbraw/zinc/36/43/87/131364387.db2.gz QMOUHXBJHKYDBW-UHFFFAOYSA-N -1 3 318.373 3.647 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(C2CC2)cn1 ZINC000340313068 131374988 /nfs/dbraw/zinc/37/49/88/131374988.db2.gz GMHHOFFIVXMHLY-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297104234 132000045 /nfs/dbraw/zinc/00/00/45/132000045.db2.gz GBZHUJYNIMEPRB-NVXWUHKLSA-N -1 3 311.381 3.506 20 0 DHADHM CCOc1cc(CN[C@@H](C2CC2)C(F)(F)F)cc(Cl)c1[O-] ZINC000297541844 132022097 /nfs/dbraw/zinc/02/20/97/132022097.db2.gz YQHYKUAUWQLSBQ-ZDUSSCGKSA-N -1 3 323.742 3.875 20 0 DHADHM CCC[C@@](C)(NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000340670936 132140460 /nfs/dbraw/zinc/14/04/60/132140460.db2.gz GRHJQFDZXLTVMD-MRXNPFEDSA-N -1 3 322.405 3.682 20 0 DHADHM CCC[C@](C)(NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000340680053 132145876 /nfs/dbraw/zinc/14/58/76/132145876.db2.gz KSKQRVKRCADAPG-AWEZNQCLSA-N -1 3 310.444 3.605 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1CCCCC1 ZINC000442937324 338439921 /nfs/dbraw/zinc/43/99/21/338439921.db2.gz VOFOIXBVKBCPMR-UHFFFAOYSA-N -1 3 303.280 3.810 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2occc2s1 ZINC000605459043 430552943 /nfs/dbraw/zinc/55/29/43/430552943.db2.gz PHVPMYPXHAYHPL-UHFFFAOYSA-N -1 3 301.299 3.536 20 0 DHADHM CCNc1nc(C(=O)[N-]c2c(OC)cccc2SC)cs1 ZINC000616351099 430584338 /nfs/dbraw/zinc/58/43/38/430584338.db2.gz XUGHVZXSKPTOHT-UHFFFAOYSA-N -1 3 323.443 3.558 20 0 DHADHM CCc1cc([N-]C(=O)c2ccc(-c3ccccc3F)o2)no1 ZINC000606886348 435343194 /nfs/dbraw/zinc/34/31/94/435343194.db2.gz IJOBMYZFMLZOHN-UHFFFAOYSA-N -1 3 300.289 3.888 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000617098006 435367366 /nfs/dbraw/zinc/36/73/66/435367366.db2.gz LWOSSVTUSZHFDY-UHFFFAOYSA-N -1 3 323.443 3.643 20 0 DHADHM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448764411 332811205 /nfs/dbraw/zinc/81/12/05/332811205.db2.gz LPVZHCUSKGDXSP-QGZVFWFLSA-N -1 3 313.372 3.746 20 0 DHADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000174209162 332847293 /nfs/dbraw/zinc/84/72/93/332847293.db2.gz PSNJRABSWFDAHA-KRWDZBQOSA-N -1 3 301.361 3.587 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)c([O-])c1 ZINC000175058803 332873141 /nfs/dbraw/zinc/87/31/41/332873141.db2.gz VMGZWYJEFALNNS-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c([O-])c1 ZINC000530458499 331486436 /nfs/dbraw/zinc/48/64/36/331486436.db2.gz QKNHFWKTZYSFRI-CHWSQXEVSA-N -1 3 323.458 3.537 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c1[O-] ZINC000175918040 332914653 /nfs/dbraw/zinc/91/46/53/332914653.db2.gz SSSWJXOLMRZRQS-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM O=C(Cc1ccc(F)cc1Cl)N1CCCc2cccc([O-])c21 ZINC000182936800 331565397 /nfs/dbraw/zinc/56/53/97/331565397.db2.gz UDAWSNSNKILWBW-UHFFFAOYSA-N -1 3 319.763 3.707 20 0 DHADHM CCCc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426765523 331758986 /nfs/dbraw/zinc/75/89/86/331758986.db2.gz PGYCPIGFLMUYDP-GOSISDBHSA-N -1 3 313.397 3.563 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)cc(F)c1 ZINC000363388721 331765964 /nfs/dbraw/zinc/76/59/64/331765964.db2.gz ZDMBHMDOSXUVPU-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255620142 331780284 /nfs/dbraw/zinc/78/02/84/331780284.db2.gz YCMBTAXMGVHOTL-CPWLGJMPSA-N -1 3 316.788 3.673 20 0 DHADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000517965387 331980972 /nfs/dbraw/zinc/98/09/72/331980972.db2.gz HRQSCGIRAFTMTN-CYBMUJFWSA-N -1 3 304.777 3.875 20 0 DHADHM Cc1ccc(CNCc2nc(C)ccc2[O-])c(OC(C)(C)C)c1 ZINC000084958664 332007806 /nfs/dbraw/zinc/00/78/06/332007806.db2.gz OLIVSGXBNMGZNZ-UHFFFAOYSA-N -1 3 314.429 3.871 20 0 DHADHM CCC(C)(C)c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000569370909 332066897 /nfs/dbraw/zinc/06/68/97/332066897.db2.gz PQPPQJVWPSYLFN-INIZCTEOSA-N -1 3 321.486 3.766 20 0 DHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)cc1 ZINC000426807494 332151847 /nfs/dbraw/zinc/15/18/47/332151847.db2.gz NTGFIQPJWHFVJL-GOSISDBHSA-N -1 3 313.397 3.563 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(C)c(F)c2)C(=O)[O-])cc1 ZINC000426809989 332152122 /nfs/dbraw/zinc/15/21/22/332152122.db2.gz HJMUHIMFZXQZMK-KRWDZBQOSA-N -1 3 301.361 3.612 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000426799036 332155078 /nfs/dbraw/zinc/15/50/78/332155078.db2.gz HAJMUNUBHICFIG-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426804093 332155479 /nfs/dbraw/zinc/15/54/79/332155479.db2.gz RUOBBJGSRDCAGC-QGZVFWFLSA-N -1 3 301.361 3.865 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000426819997 332157694 /nfs/dbraw/zinc/15/76/94/332157694.db2.gz XCFRYKJFRLCQCW-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM CCCSC[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426818965 332157740 /nfs/dbraw/zinc/15/77/40/332157740.db2.gz UKALIMDOUKTNNV-LLVKDONJSA-N -1 3 322.257 3.679 20 0 DHADHM CCc1ccc([C@@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])cc1 ZINC000426824147 332157897 /nfs/dbraw/zinc/15/78/97/332157897.db2.gz GRRLHZHYAJQIEJ-MRXNPFEDSA-N -1 3 323.314 3.582 20 0 DHADHM Cc1ncccc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426823989 332157926 /nfs/dbraw/zinc/15/79/26/332157926.db2.gz KYTUFIGBZDWMNS-GOSISDBHSA-N -1 3 312.413 3.819 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2)CC(F)(F)C1 ZINC000368045172 332218227 /nfs/dbraw/zinc/21/82/27/332218227.db2.gz NQOLVMOEUVAYDY-UHFFFAOYSA-N -1 3 321.298 3.837 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1c2c(nc3ccccc31)CCC2 ZINC000536464666 332249957 /nfs/dbraw/zinc/24/99/57/332249957.db2.gz VQCRXBQFKGIFCO-UHFFFAOYSA-N -1 3 322.339 3.821 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000560086700 332310048 /nfs/dbraw/zinc/31/00/48/332310048.db2.gz UKMPKDYUJXFLOB-BETUJISGSA-N -1 3 323.396 3.968 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000560661263 332374894 /nfs/dbraw/zinc/37/48/94/332374894.db2.gz GVBGWGMOLWKHNP-VHDGCEQUSA-N -1 3 303.402 3.946 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cnc([C@H]2CCCO2)s1 ZINC000560819547 332388430 /nfs/dbraw/zinc/38/84/30/332388430.db2.gz FNKIILXNZKUNJZ-SNVBAGLBSA-N -1 3 324.789 3.606 20 0 DHADHM CCc1cc(C(=O)NC(C)(C)c2ccccc2F)ccc1[O-] ZINC000561708219 332483714 /nfs/dbraw/zinc/48/37/14/332483714.db2.gz JGJOFZQWTALBKP-UHFFFAOYSA-N -1 3 301.361 3.759 20 0 DHADHM CC[C@H](NCc1ncccc1[O-])c1ccccc1OC(F)F ZINC000561950873 332521083 /nfs/dbraw/zinc/52/10/83/332521083.db2.gz IIXWZTCUFAXQFY-LBPRGKRZSA-N -1 3 308.328 3.630 20 0 DHADHM CCC[C@@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151562776 332589122 /nfs/dbraw/zinc/58/91/22/332589122.db2.gz OCOFISAASVHJFJ-SNVBAGLBSA-N -1 3 314.223 3.597 20 0 DHADHM CCC(CC)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151597237 332592599 /nfs/dbraw/zinc/59/25/99/332592599.db2.gz VWEHQQQHQNAXJF-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000562800058 332627833 /nfs/dbraw/zinc/62/78/33/332627833.db2.gz KJYLBIZGVIHZLH-KGLIPLIRSA-N -1 3 308.447 3.534 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc([O-])cc3F)on2)cc1 ZINC000183242045 333053967 /nfs/dbraw/zinc/05/39/67/333053967.db2.gz BCTMWDVZMAPKHJ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CCc1ccccc1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189093869 333063246 /nfs/dbraw/zinc/06/32/46/333063246.db2.gz ABFISUVWKKIJNO-UHFFFAOYSA-N -1 3 323.314 3.903 20 0 DHADHM CCCc1cc(=O)[n-]c(SCc2ccc3[nH]c(C)nc3c2)n1 ZINC000460445075 333088176 /nfs/dbraw/zinc/08/81/76/333088176.db2.gz CXQLHHDAFQXBHC-UHFFFAOYSA-N -1 3 314.414 3.612 20 0 DHADHM CCCc1cc(=O)[n-]c(SCc2ccc3nc(C)[nH]c3c2)n1 ZINC000460445075 333088178 /nfs/dbraw/zinc/08/81/78/333088178.db2.gz CXQLHHDAFQXBHC-UHFFFAOYSA-N -1 3 314.414 3.612 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000460441441 333088279 /nfs/dbraw/zinc/08/82/79/333088279.db2.gz WTUFBNNUUVKXSX-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1scnc1-c1ccccc1 ZINC000181973205 333147776 /nfs/dbraw/zinc/14/77/76/333147776.db2.gz OMSOFOXPEDAJEI-VOTSOKGWSA-N -1 3 323.377 3.563 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)ccc1F ZINC000182118828 333149818 /nfs/dbraw/zinc/14/98/18/333149818.db2.gz GMDXDWSTGANRPX-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000179543411 333152443 /nfs/dbraw/zinc/15/24/43/333152443.db2.gz MJVMHNNRBOPATA-DOMZBBRYSA-N -1 3 324.380 3.547 20 0 DHADHM CSc1cccc(N(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000182291966 333177412 /nfs/dbraw/zinc/17/74/12/333177412.db2.gz BMGFZZPQPKMWES-UHFFFAOYSA-N -1 3 321.829 3.973 20 0 DHADHM CCCc1nc(C)c(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000182924327 333181203 /nfs/dbraw/zinc/18/12/03/333181203.db2.gz QGRJEKWABBDKQR-UHFFFAOYSA-N -1 3 316.426 3.703 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000112334933 333239394 /nfs/dbraw/zinc/23/93/94/333239394.db2.gz OLZNIAIPKVYLRC-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)c3ccc(C)cc3)[n-]2)o1 ZINC000497744244 333285757 /nfs/dbraw/zinc/28/57/57/333285757.db2.gz YMCMQUJLTPUKEZ-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)c3ccc(C)cc3)n2)o1 ZINC000497744244 333285759 /nfs/dbraw/zinc/28/57/59/333285759.db2.gz YMCMQUJLTPUKEZ-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)c3ccc(C)cc3)n[n-]2)o1 ZINC000497744244 333285760 /nfs/dbraw/zinc/28/57/60/333285760.db2.gz YMCMQUJLTPUKEZ-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM c1nc([N-]c2ncnc3ccncc32)sc1-c1ccccc1 ZINC000502706859 333306075 /nfs/dbraw/zinc/30/60/75/333306075.db2.gz ACBFGISBAOBQIJ-UHFFFAOYSA-N -1 3 305.366 3.892 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000497977944 333316601 /nfs/dbraw/zinc/31/66/01/333316601.db2.gz YYXWAOKWTSZXCR-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000364508145 333324625 /nfs/dbraw/zinc/32/46/25/333324625.db2.gz JSLZOLNIYUOEMC-UHFFFAOYSA-N -1 3 317.335 3.690 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000531195834 333330123 /nfs/dbraw/zinc/33/01/23/333330123.db2.gz JAMDMJRBMPSZBQ-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM COc1ccc(CCCCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531372803 333346841 /nfs/dbraw/zinc/34/68/41/333346841.db2.gz JNERNKQRMVAXEC-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000343341263 335135619 /nfs/dbraw/zinc/13/56/19/335135619.db2.gz LRSPSWAHTQYJAW-ONGXEEELSA-N -1 3 317.307 3.555 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(F)c(F)c3)no2)c1[O-] ZINC000184846751 333368026 /nfs/dbraw/zinc/36/80/26/333368026.db2.gz XYJVXEAFFHVDOW-UHFFFAOYSA-N -1 3 318.279 3.704 20 0 DHADHM Cc1cccc(C(=O)N2CCc3c2cccc3C(F)(F)F)c1[O-] ZINC000185942460 333371577 /nfs/dbraw/zinc/37/15/77/333371577.db2.gz PPQKQHOFEQEMSO-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM C[C@H]1CCN(C(=O)c2csc(C3CC3)n2)c2c([O-])cccc21 ZINC000186292588 333372788 /nfs/dbraw/zinc/37/27/88/333372788.db2.gz HRNBUJHTUBPWOO-JTQLQIEISA-N -1 3 314.410 3.880 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)co1 ZINC000186728835 333377739 /nfs/dbraw/zinc/37/77/39/333377739.db2.gz PMIBIJUXFMRWMO-UHFFFAOYSA-N -1 3 317.395 3.843 20 0 DHADHM CCC(C)(C)[C@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000563147387 333396968 /nfs/dbraw/zinc/39/69/68/333396968.db2.gz PAILIHXPFSWRHO-CQSZACIVSA-N -1 3 318.442 3.789 20 0 DHADHM Cc1cc(OCCN2CCC(CC(=O)[O-])CC2)ccc1C(C)C ZINC000391317536 333448297 /nfs/dbraw/zinc/44/82/97/333448297.db2.gz MSQSEJHELXZZRE-UHFFFAOYSA-N -1 3 319.445 3.684 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(C)cc2)cc1 ZINC000426720387 333529119 /nfs/dbraw/zinc/52/91/19/333529119.db2.gz MNVDXFLRBMRJIN-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM CC(C)(C)c1ccncc1CNCc1c(F)ccc([O-])c1F ZINC000414504335 333999999 /nfs/dbraw/zinc/99/99/99/333999999.db2.gz YBIOXCCPEOUVBR-UHFFFAOYSA-N -1 3 306.356 3.653 20 0 DHADHM Cc1oc(CN2CCC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000571648170 334014869 /nfs/dbraw/zinc/01/48/69/334014869.db2.gz DSBYNQCACWSCHM-INIZCTEOSA-N -1 3 313.397 3.741 20 0 DHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000414676732 334066454 /nfs/dbraw/zinc/06/64/54/334066454.db2.gz HKCCVDJWAUSBSY-SECBINFHSA-N -1 3 307.287 3.530 20 0 DHADHM O=C([O-])[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000414678890 334067342 /nfs/dbraw/zinc/06/73/42/334067342.db2.gz JWZNKECPMGGUQM-LLVKDONJSA-N -1 3 321.323 3.521 20 0 DHADHM Cc1ccccc1OCCCN(C)Cc1ccc(C(=O)[O-])s1 ZINC000567479150 334291228 /nfs/dbraw/zinc/29/12/28/334291228.db2.gz OWKRQYACQRCNQP-UHFFFAOYSA-N -1 3 319.426 3.656 20 0 DHADHM COc1cc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)ccc1[O-] ZINC000443057707 338442496 /nfs/dbraw/zinc/44/24/96/338442496.db2.gz KSJBJCOGCHNXDK-OAHLLOKOSA-N -1 3 311.381 3.553 20 0 DHADHM Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c([O-])c1C ZINC000049349029 334326071 /nfs/dbraw/zinc/32/60/71/334326071.db2.gz HLTHYCGFRDJFON-UHFFFAOYSA-N -1 3 309.818 3.696 20 0 DHADHM Cc1ccnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c1 ZINC000111665119 334352609 /nfs/dbraw/zinc/35/26/09/334352609.db2.gz ZXDJGINADFRTMB-UHFFFAOYSA-N -1 3 313.360 3.961 20 0 DHADHM Cc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)c([O-])c1 ZINC000111687620 334353655 /nfs/dbraw/zinc/35/36/55/334353655.db2.gz HUANHXPXFFWJHX-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000112335250 334383017 /nfs/dbraw/zinc/38/30/17/334383017.db2.gz LTWBUJCHADCYMV-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM CC(C)Oc1ncccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000341415148 334443767 /nfs/dbraw/zinc/44/37/67/334443767.db2.gz GWDNNERYBRVQTF-UHFFFAOYSA-N -1 3 310.275 3.538 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3ccc(C)nc3)CC2)c1 ZINC000341653469 334469196 /nfs/dbraw/zinc/46/91/96/334469196.db2.gz ZDUZEJPBKMOJND-UHFFFAOYSA-N -1 3 324.424 3.678 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000320387985 334606717 /nfs/dbraw/zinc/60/67/17/334606717.db2.gz CKQXFPHFGLVIFW-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCOc1ccc(Cl)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417039730 334690477 /nfs/dbraw/zinc/69/04/77/334690477.db2.gz OFWUXUJOIVPJIY-UHFFFAOYSA-N -1 3 319.792 3.724 20 0 DHADHM Cc1cnccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000112496493 334713485 /nfs/dbraw/zinc/71/34/85/334713485.db2.gz WWHWICZGLYDGRR-UHFFFAOYSA-N -1 3 318.442 3.733 20 0 DHADHM CCc1ncnc(CC)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000343929331 335202639 /nfs/dbraw/zinc/20/26/39/335202639.db2.gz MRHIPJFAYYETSE-UHFFFAOYSA-N -1 3 319.792 3.521 20 0 DHADHM CC(C)O[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000343889461 335203938 /nfs/dbraw/zinc/20/39/38/335203938.db2.gz QRAACRSQQYTGJG-INIZCTEOSA-N -1 3 303.333 3.636 20 0 DHADHM CC(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccncc1 ZINC000344183739 335228388 /nfs/dbraw/zinc/22/83/88/335228388.db2.gz SSOQXCDAZXYQLH-HNNXBMFYSA-N -1 3 304.777 3.819 20 0 DHADHM O=C([N-]c1cc(F)cc(Br)c1F)c1ccco1 ZINC000344312958 335239952 /nfs/dbraw/zinc/23/99/52/335239952.db2.gz ULMIHRJXWYYIDJ-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM CCc1ccc(-c2ccc(CNCc3cnc(C)[n-]c3=O)o2)cc1 ZINC000344337270 335242211 /nfs/dbraw/zinc/24/22/11/335242211.db2.gz UVHPSCONXVADRX-UHFFFAOYSA-N -1 3 323.396 3.603 20 0 DHADHM Cc1ncc(CNCc2cccc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000344344442 335242917 /nfs/dbraw/zinc/24/29/17/335242917.db2.gz DRXAIZLHIQDMDP-UHFFFAOYSA-N -1 3 321.380 3.573 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(C2CC2)cs1 ZINC000344918413 335288921 /nfs/dbraw/zinc/28/89/21/335288921.db2.gz XUROHIHHFPDOKS-UHFFFAOYSA-N -1 3 320.389 3.827 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000345015092 335291425 /nfs/dbraw/zinc/29/14/25/335291425.db2.gz IQIPEYALGIOTAO-INIZCTEOSA-N -1 3 316.376 3.546 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])C12CCC(CC1)C2 ZINC000345144547 335301017 /nfs/dbraw/zinc/30/10/17/335301017.db2.gz FHOXQVFQXAAGCU-UHFFFAOYSA-N -1 3 310.191 3.674 20 0 DHADHM Cc1ccc(-c2csc3[n-]c(-c4ccncn4)nc(=O)c23)cc1 ZINC000345369563 335321024 /nfs/dbraw/zinc/32/10/24/335321024.db2.gz NJYCFXYBZRIVHD-UHFFFAOYSA-N -1 3 320.377 3.829 20 0 DHADHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)c(C)cc1O ZINC000444646563 338478498 /nfs/dbraw/zinc/47/84/98/338478498.db2.gz ZULUPCSAEZPYGP-UHFFFAOYSA-N -1 3 305.761 3.549 20 0 DHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc2n[n-]nc2c1 ZINC000345804134 335352363 /nfs/dbraw/zinc/35/23/63/335352363.db2.gz HUHSEPSVTKHXTM-KRWDZBQOSA-N -1 3 308.385 3.571 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 ZINC000345931063 335361731 /nfs/dbraw/zinc/36/17/31/335361731.db2.gz GMCUMLBOTMBGSM-UHFFFAOYSA-N -1 3 320.776 3.545 20 0 DHADHM CCc1ncsc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345978997 335367137 /nfs/dbraw/zinc/36/71/37/335367137.db2.gz ZWTCZNXSOXXACH-UHFFFAOYSA-N -1 3 308.378 3.512 20 0 DHADHM Cc1ncc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000346802541 335437468 /nfs/dbraw/zinc/43/74/68/335437468.db2.gz CSVYJZGLYRVJGK-QMMMGPOBSA-N -1 3 312.200 3.648 20 0 DHADHM Cc1ncc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)c(=O)[n-]1 ZINC000346811344 335442819 /nfs/dbraw/zinc/44/28/19/335442819.db2.gz UBQYNXNSZGJODH-VIFPVBQESA-N -1 3 317.776 3.741 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(OCc2ccccc2)cc1 ZINC000347926775 335539285 /nfs/dbraw/zinc/53/92/85/335539285.db2.gz SVNCNLDVXBNBOE-UHFFFAOYSA-N -1 3 320.392 3.656 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc(-c2cc[nH]n2)s1 ZINC000348159019 335558863 /nfs/dbraw/zinc/55/88/63/335558863.db2.gz VUAUNYYSGWYGEX-UHFFFAOYSA-N -1 3 323.299 3.808 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1[O-] ZINC000583501534 335625074 /nfs/dbraw/zinc/62/50/74/335625074.db2.gz LCXKLMYKVXBXGK-SSKCKEOISA-N -1 3 309.365 3.583 20 0 DHADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000349083231 335633635 /nfs/dbraw/zinc/63/36/35/335633635.db2.gz NTPHPOWKLUGSTO-OAHLLOKOSA-N -1 3 320.751 3.771 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(C(C)C)nc3)no2)c1 ZINC000445506383 338497437 /nfs/dbraw/zinc/49/74/37/338497437.db2.gz VFNGRQUJVBDGLE-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM Clc1cc2cc(-c3nc([C@@H]4CCCOC4)no3)[n-]c2s1 ZINC000350456965 335754852 /nfs/dbraw/zinc/75/48/52/335754852.db2.gz VHFFGDAVOUWUJJ-SSDOTTSWSA-N -1 3 309.778 3.827 20 0 DHADHM CCc1nc(C(=O)[N-]c2nnc(C(CC)CC)s2)c(C)o1 ZINC000350719738 335776137 /nfs/dbraw/zinc/77/61/37/335776137.db2.gz LSHGXYVMRZJYQF-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1 ZINC000536075180 335816448 /nfs/dbraw/zinc/81/64/48/335816448.db2.gz NVXRQKDEDZPZLM-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM COc1cccc(F)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000532128459 335904360 /nfs/dbraw/zinc/90/43/60/335904360.db2.gz ORIFNFBPHUGRJY-UHFFFAOYSA-N -1 3 309.724 3.754 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000583636103 336009583 /nfs/dbraw/zinc/00/95/83/336009583.db2.gz ITXOTNYWADAEQU-RYUDHWBXSA-N -1 3 316.426 3.881 20 0 DHADHM CC(C)c1csc2[n-]c(CC(=O)c3ccccc3)nc(=O)c12 ZINC000351881688 336080312 /nfs/dbraw/zinc/08/03/12/336080312.db2.gz DBSUUWITWNMLGC-UHFFFAOYSA-N -1 3 312.394 3.946 20 0 DHADHM C[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)c2c([O-])cccc21 ZINC000329825038 336086576 /nfs/dbraw/zinc/08/65/76/336086576.db2.gz IBSNXWNURCZJPJ-OLZOCXBDSA-N -1 3 316.401 3.522 20 0 DHADHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000331366146 336133894 /nfs/dbraw/zinc/13/38/94/336133894.db2.gz CXELLOYKGNCVCQ-YJBOKZPZSA-N -1 3 311.381 3.807 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1[O-] ZINC000332029412 336156158 /nfs/dbraw/zinc/15/61/58/336156158.db2.gz ZFBZUMMEMWOGQO-GOSISDBHSA-N -1 3 323.392 3.881 20 0 DHADHM CC(C)c1cc(C(=O)N(C)CC2(O)CCC2)c([O-])c(C(C)C)c1 ZINC000332477148 336172627 /nfs/dbraw/zinc/17/26/27/336172627.db2.gz OFBSSHVBELLKSU-UHFFFAOYSA-N -1 3 319.445 3.626 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000352010282 336188559 /nfs/dbraw/zinc/18/85/59/336188559.db2.gz AXNWBHMMCSHKES-SFHVURJKSA-N -1 3 301.361 3.575 20 0 DHADHM O=C1[C@H]([N-]c2nc3ccccc3o2)CCCN1C1CCCCC1 ZINC000333365917 336202530 /nfs/dbraw/zinc/20/25/30/336202530.db2.gz VHCCEHFCOODNBN-OAHLLOKOSA-N -1 3 313.401 3.563 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c([O-])c1 ZINC000333595253 336206576 /nfs/dbraw/zinc/20/65/76/336206576.db2.gz PQMFKBCEZQHIGL-TZMCWYRMSA-N -1 3 302.374 3.669 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(CC3CC(F)(F)C3)no1)CCCC2 ZINC000333684838 336208098 /nfs/dbraw/zinc/20/80/98/336208098.db2.gz LUABJTQJETVNPC-UHFFFAOYSA-N -1 3 320.339 3.909 20 0 DHADHM COc1ccc([C@@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352284210 336209899 /nfs/dbraw/zinc/20/98/99/336209899.db2.gz NZRKDTJRDMTKBK-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM CC[C@@H]1CC[C@H](C(=O)[N-]c2onc(C3CCCCC3)c2C)O1 ZINC000333913493 336212292 /nfs/dbraw/zinc/21/22/92/336212292.db2.gz YGLAECLAAIIVAC-ZIAGYGMSSA-N -1 3 306.406 3.927 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cccc(OC(F)F)c2)c1F ZINC000352462308 336220640 /nfs/dbraw/zinc/22/06/40/336220640.db2.gz CBTJYEQQTWZVRT-UHFFFAOYSA-N -1 3 315.266 3.562 20 0 DHADHM Cc1oc(-c2ccccc2)c(C(=O)NCc2ncccc2[O-])c1C ZINC000352506029 336222234 /nfs/dbraw/zinc/22/22/34/336222234.db2.gz COQANDMWUXINRC-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000352641956 336228272 /nfs/dbraw/zinc/22/82/72/336228272.db2.gz BOYBBMVZEWWLRN-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM O=C(c1cccc2cnccc21)N1CCCc2cccc([O-])c21 ZINC000352657183 336229202 /nfs/dbraw/zinc/22/92/02/336229202.db2.gz SWSNAFPFWHOZSD-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM O=C(Nc1csc2ccccc12)c1c[n-]c2ccccc2c1=O ZINC000352733754 336232921 /nfs/dbraw/zinc/23/29/21/336232921.db2.gz ZLZKSTFPQODUFH-UHFFFAOYSA-N -1 3 320.373 3.995 20 0 DHADHM O=C(Nc1csc2ccccc12)c1cnc2ccccc2c1[O-] ZINC000352733754 336232922 /nfs/dbraw/zinc/23/29/22/336232922.db2.gz ZLZKSTFPQODUFH-UHFFFAOYSA-N -1 3 320.373 3.995 20 0 DHADHM CC[C@H](CNC(=O)c1cccc([O-])c1)Oc1ccccc1Cl ZINC000182561214 336242338 /nfs/dbraw/zinc/24/23/38/336242338.db2.gz BAKUWAKQDJZBSY-CQSZACIVSA-N -1 3 319.788 3.633 20 0 DHADHM [O-]c1ccc(CNCc2cc(O)cc(C(F)(F)F)c2)cc1F ZINC000352812016 336245773 /nfs/dbraw/zinc/24/57/73/336245773.db2.gz VRGZPTMUGFNMNF-UHFFFAOYSA-N -1 3 315.266 3.546 20 0 DHADHM [O-]c1cccnc1CNCc1cnc(C2CCCCC2)s1 ZINC000526990562 336278113 /nfs/dbraw/zinc/27/81/13/336278113.db2.gz YHILMLCIDDZZOL-UHFFFAOYSA-N -1 3 303.431 3.581 20 0 DHADHM Cc1cccc(C(=O)N2CCCCC[C@H]2c2cccn2C)c1[O-] ZINC000192931979 336284989 /nfs/dbraw/zinc/28/49/89/336284989.db2.gz SEWRLVYQODXSCK-KRWDZBQOSA-N -1 3 312.413 3.797 20 0 DHADHM CC(C)c1noc([N-][C@H](C)c2cnn(Cc3ccccc3)c2)n1 ZINC000301843178 336333679 /nfs/dbraw/zinc/33/36/79/336333679.db2.gz KMBRDWITFMORBJ-CYBMUJFWSA-N -1 3 311.389 3.611 20 0 DHADHM Cc1nc(C)c(C[N-]c2nc(-c3ccc(C)cc3)no2)s1 ZINC000302630319 336363038 /nfs/dbraw/zinc/36/30/38/336363038.db2.gz GMCCFFATRRADKF-UHFFFAOYSA-N -1 3 300.387 3.730 20 0 DHADHM CC[C@@H](C)C(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000352936814 336378350 /nfs/dbraw/zinc/37/83/50/336378350.db2.gz KISQOXGQINDBAA-SECBINFHSA-N -1 3 300.383 3.708 20 0 DHADHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000303123921 336382392 /nfs/dbraw/zinc/38/23/92/336382392.db2.gz ASYYHHFHJZRSFW-HNNXBMFYSA-N -1 3 321.417 3.515 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1[O-] ZINC000353883035 336445947 /nfs/dbraw/zinc/44/59/47/336445947.db2.gz UEBNSFFNKAWUQR-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM O=C([N-]c1csc(-c2ccccn2)n1)c1ccc(Cl)o1 ZINC000353951659 336450943 /nfs/dbraw/zinc/45/09/43/336450943.db2.gz LEXMASPZFCXPCP-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM O=C(NCc1nc2ccccc2o1)c1cc([O-])c2ccccc2c1 ZINC000354750563 336481091 /nfs/dbraw/zinc/48/10/91/336481091.db2.gz WBZQOPKQRQYXPW-UHFFFAOYSA-N -1 3 318.332 3.617 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C)c(C(=O)OC)s2)on1 ZINC000356592877 336555578 /nfs/dbraw/zinc/55/55/78/336555578.db2.gz FUVMGBJHUMSAAP-MRVPVSSYSA-N -1 3 322.386 3.597 20 0 DHADHM Cc1cc(C(=O)N2CCC(CC(F)(F)F)CC2)ccc1[O-] ZINC000357021954 336570653 /nfs/dbraw/zinc/57/06/53/336570653.db2.gz RNYMLQSITYGMJO-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](Cc2ccccn2)c2ccccc2)c1 ZINC000359134195 336659476 /nfs/dbraw/zinc/65/94/76/336659476.db2.gz YDSQBJQXKXTDBZ-HXUWFJFHSA-N -1 3 322.383 4.000 20 0 DHADHM CCOCc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[n-]1 ZINC000361420102 336756118 /nfs/dbraw/zinc/75/61/18/336756118.db2.gz KTFFMILXOIOMLQ-UHFFFAOYSA-N -1 3 316.382 3.609 20 0 DHADHM Cc1cc2c(nc(-c3ccc(Br)o3)[n-]c2=O)s1 ZINC000361420959 336756190 /nfs/dbraw/zinc/75/61/90/336756190.db2.gz QIUMIVHYDLPOMO-UHFFFAOYSA-N -1 3 311.160 3.728 20 0 DHADHM COc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)ccc1[O-] ZINC000362391574 336795381 /nfs/dbraw/zinc/79/53/81/336795381.db2.gz QOUHOCGXGYRADQ-GOSISDBHSA-N -1 3 323.348 3.513 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)cc1 ZINC000582398922 336958448 /nfs/dbraw/zinc/95/84/48/336958448.db2.gz YLELIRDJSZYIKF-VQIMIIECSA-N -1 3 304.349 3.814 20 0 DHADHM CC[C@H](C)CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000375685425 337016520 /nfs/dbraw/zinc/01/65/20/337016520.db2.gz QDKFGCDSLPRZFN-LBPRGKRZSA-N -1 3 313.401 3.510 20 0 DHADHM Cc1nnc(-c2cc(F)ccc2NCc2cc([O-])cc(F)c2)o1 ZINC000376136021 337028036 /nfs/dbraw/zinc/02/80/36/337028036.db2.gz ULJFCYRLJGMVCO-UHFFFAOYSA-N -1 3 317.295 3.641 20 0 DHADHM O=C([N-]c1ccncc1F)c1ncoc1-c1ccccc1Cl ZINC000123017137 337034062 /nfs/dbraw/zinc/03/40/62/337034062.db2.gz WFIVYJLBEXSMBG-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000377942104 337064266 /nfs/dbraw/zinc/06/42/66/337064266.db2.gz MSNBKFCBFMTKAL-QFYYESIMSA-N -1 3 321.829 3.815 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc([O-])c2F)o1 ZINC000378300388 337069575 /nfs/dbraw/zinc/06/95/75/337069575.db2.gz XIENMNVATPFMAT-WRWGMCAJSA-N -1 3 315.344 3.990 20 0 DHADHM Cc1ccc([O-])c(CN[C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000378463038 337073571 /nfs/dbraw/zinc/07/35/71/337073571.db2.gz ZSDSRPDPCFVWDO-AWEZNQCLSA-N -1 3 318.804 3.753 20 0 DHADHM O=C(C1CC(c2ccccc2)C1)N1CCCc2cccc([O-])c21 ZINC000378510094 337074762 /nfs/dbraw/zinc/07/47/62/337074762.db2.gz ZILGNLGLVBGNMO-UHFFFAOYSA-N -1 3 307.393 3.865 20 0 DHADHM COC(=O)c1cnc(S[C@@H]2CCCCc3ccccc32)[n-]1 ZINC000193542800 337077989 /nfs/dbraw/zinc/07/79/89/337077989.db2.gz YCZIXCQUUMHQKK-CQSZACIVSA-N -1 3 302.399 3.756 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc(F)c2)cc1 ZINC000426760796 337087118 /nfs/dbraw/zinc/08/71/18/337087118.db2.gz UXSVQRCDIZOHAT-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CCCCC1CCC(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000583702561 337092084 /nfs/dbraw/zinc/09/20/84/337092084.db2.gz XRPMXZULGVMKSV-UHFFFAOYSA-N -1 3 317.433 3.538 20 0 DHADHM Cc1ccc2[n-]cc(C(=O)N3CCCC34CCCCC4)c(=O)c2c1 ZINC000582504136 337099221 /nfs/dbraw/zinc/09/92/21/337099221.db2.gz WMELOQWHXHTQFX-UHFFFAOYSA-N -1 3 324.424 3.775 20 0 DHADHM CO[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000175835650 337149391 /nfs/dbraw/zinc/14/93/91/337149391.db2.gz TUFPPENSYXHYFE-HNNXBMFYSA-N -1 3 305.761 3.680 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cc(C(C)(C)C)nn2C)c1[O-] ZINC000175838101 337149407 /nfs/dbraw/zinc/14/94/07/337149407.db2.gz JWCPEPHJPOXHMH-UHFFFAOYSA-N -1 3 321.808 3.637 20 0 DHADHM Fc1ccc2c(c1)[C@@H](Sc1n[n-]c(-c3ccccn3)n1)CC2 ZINC000178522283 337163422 /nfs/dbraw/zinc/16/34/22/337163422.db2.gz WEDLFDLLGKMOTF-AWEZNQCLSA-N -1 3 312.373 3.785 20 0 DHADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1Cc1ccccc1 ZINC000179556784 337170325 /nfs/dbraw/zinc/17/03/25/337170325.db2.gz MHLSKGYGMMGHFL-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM O=C(CSc1ccnc2ccccc21)Nc1ccccc1[O-] ZINC000180703520 337177369 /nfs/dbraw/zinc/17/73/69/337177369.db2.gz DVWKSUOCIWMZBX-UHFFFAOYSA-N -1 3 310.378 3.671 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cnc(-c2ccco2)s1 ZINC000180856708 337178081 /nfs/dbraw/zinc/17/80/81/337178081.db2.gz XRWQDHXBCMFAKC-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000181347198 337181566 /nfs/dbraw/zinc/18/15/66/337181566.db2.gz SOCYQERDNHRIET-KRWDZBQOSA-N -1 3 311.429 3.766 20 0 DHADHM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc([O-])c1 ZINC000181838828 337185044 /nfs/dbraw/zinc/18/50/44/337185044.db2.gz MMJSACQFNSAKKJ-UHFFFAOYSA-N -1 3 324.302 3.729 20 0 DHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182473630 337187653 /nfs/dbraw/zinc/18/76/53/337187653.db2.gz AJSWVVXBZHCAAP-MEDUHNTESA-N -1 3 319.788 3.552 20 0 DHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc([O-])c1 ZINC000182313973 337187910 /nfs/dbraw/zinc/18/79/10/337187910.db2.gz SGXCYVWUILJBPD-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM CCCN(CC)c1ccc(C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000183057317 337191138 /nfs/dbraw/zinc/19/11/38/337191138.db2.gz BSBONJHHDWHMIG-UHFFFAOYSA-N -1 3 313.401 3.584 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1csc(-c2cccs2)n1 ZINC000183243772 337192383 /nfs/dbraw/zinc/19/23/83/337192383.db2.gz AXTUSGNRPIKEJP-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183259324 337192532 /nfs/dbraw/zinc/19/25/32/337192532.db2.gz YWZTZZTZFONZFX-JTQLQIEISA-N -1 3 321.373 3.659 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2ccc([O-])cc2F)c1C ZINC000183267767 337192588 /nfs/dbraw/zinc/19/25/88/337192588.db2.gz TUXXNFIUPXKOOY-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000183258077 337192609 /nfs/dbraw/zinc/19/26/09/337192609.db2.gz PEBUZLGIZNPULJ-CMPLNLGQSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(Cl)ccn1 ZINC000185114296 337203170 /nfs/dbraw/zinc/20/31/70/337203170.db2.gz CCNGGSAENMQXMR-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3)CC2)s1 ZINC000583029735 337230937 /nfs/dbraw/zinc/23/09/37/337230937.db2.gz CLAOSAQSBJHREF-UHFFFAOYSA-N -1 3 301.411 3.826 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2ccco2)Cc2ccco2)c1 ZINC000186162457 337254043 /nfs/dbraw/zinc/25/40/43/337254043.db2.gz ZZWCQXCBLNIOFB-UHFFFAOYSA-N -1 3 301.317 3.920 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000186200515 337254498 /nfs/dbraw/zinc/25/44/98/337254498.db2.gz CNYLZZMHSZPYDF-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)c([O-])c1 ZINC000186403357 337255863 /nfs/dbraw/zinc/25/58/63/337255863.db2.gz WBRIUZLGZNZDJZ-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2oc(CC(C)C)nc2C)s1 ZINC000188291262 337272618 /nfs/dbraw/zinc/27/26/18/337272618.db2.gz XPAJTXGNYBWXFG-UHFFFAOYSA-N -1 3 322.434 3.628 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188825502 337275664 /nfs/dbraw/zinc/27/56/64/337275664.db2.gz NMOVNWNBSPYHOC-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM c1csc(-c2nnc([N-]Cc3nccn3-c3ccccc3)o2)c1 ZINC000191554040 337298966 /nfs/dbraw/zinc/29/89/66/337298966.db2.gz LUUNUDNYVCZBMP-UHFFFAOYSA-N -1 3 323.381 3.596 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](F)C1 ZINC000514678171 337305513 /nfs/dbraw/zinc/30/55/13/337305513.db2.gz REJCHXKKWRDKPJ-ZDUSSCGKSA-N -1 3 315.344 3.759 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000583754439 337329974 /nfs/dbraw/zinc/32/99/74/337329974.db2.gz KCQVDJQGKDNRJZ-GPCCPHFNSA-N -1 3 315.335 3.966 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000030215645 337390023 /nfs/dbraw/zinc/39/00/23/337390023.db2.gz YJIRIOWUAJJVOS-LLVKDONJSA-N -1 3 320.352 3.537 20 0 DHADHM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC)s1 ZINC000041972723 337405181 /nfs/dbraw/zinc/40/51/81/337405181.db2.gz KHOWDPNHXYDHIY-UHFFFAOYSA-N -1 3 307.396 3.509 20 0 DHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[O-])cc1 ZINC000128984692 337427597 /nfs/dbraw/zinc/42/75/97/337427597.db2.gz YOVBZPIMSLOMON-NSHDSACASA-N -1 3 303.383 3.520 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@]12CCCc1ccccc12 ZINC000129590127 337429991 /nfs/dbraw/zinc/42/99/91/337429991.db2.gz MNIFYBAFEAWJTM-KUHUBIRLSA-N -1 3 311.356 3.764 20 0 DHADHM CCc1nc([N-]C(=O)c2c(F)ccc(F)c2F)sc1C ZINC000132236814 337441670 /nfs/dbraw/zinc/44/16/70/337441670.db2.gz TWDRIBNZQUSRIC-UHFFFAOYSA-N -1 3 300.305 3.684 20 0 DHADHM CCOc1cc(-c2noc(-c3[nH]ccc3C3CC3)n2)ccc1[O-] ZINC000420494311 337503570 /nfs/dbraw/zinc/50/35/70/337503570.db2.gz QZBWMUGGFAHPQP-UHFFFAOYSA-N -1 3 311.341 3.713 20 0 DHADHM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccccc1[O-] ZINC000421620879 337546250 /nfs/dbraw/zinc/54/62/50/337546250.db2.gz RDEVQVINSYLJHE-LJQANCHMSA-N -1 3 313.372 3.769 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000247845506 337561345 /nfs/dbraw/zinc/56/13/45/337561345.db2.gz DGHDTCQBLDQGQJ-RYUDHWBXSA-N -1 3 322.286 3.548 20 0 DHADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cscn1 ZINC000078189282 337592374 /nfs/dbraw/zinc/59/23/74/337592374.db2.gz PMJDDAIIQCLQDY-UHFFFAOYSA-N -1 3 318.345 3.892 20 0 DHADHM COC1(c2noc(CCCc3ccc([O-])c(F)c3)n2)CCCC1 ZINC000572168580 337594691 /nfs/dbraw/zinc/59/46/91/337594691.db2.gz CHRPDZPTEFSSHP-UHFFFAOYSA-N -1 3 320.364 3.505 20 0 DHADHM O=C([O-])CC[C@H](Cc1ccccc1)NCc1ccsc1Cl ZINC000262724379 337620878 /nfs/dbraw/zinc/62/08/78/337620878.db2.gz XYZXMWWUYDQGGI-CQSZACIVSA-N -1 3 323.845 3.967 20 0 DHADHM CC(C)C[C@@H](CNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000263484926 337630274 /nfs/dbraw/zinc/63/02/74/337630274.db2.gz MHPZSIOWBNJIED-AWEZNQCLSA-N -1 3 317.385 3.908 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421971408 337664148 /nfs/dbraw/zinc/66/41/48/337664148.db2.gz ULIWZMDDIXVCQN-NSHDSACASA-N -1 3 301.308 3.505 20 0 DHADHM CCOc1cc(-c2noc(C34CCC(CC3)C4)n2)ccc1[O-] ZINC000445427363 337727728 /nfs/dbraw/zinc/72/77/28/337727728.db2.gz ONCMGTWTBGEWQJ-UHFFFAOYSA-N -1 3 300.358 3.673 20 0 DHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1csc(=O)[n-]1 ZINC000527449927 337742446 /nfs/dbraw/zinc/74/24/46/337742446.db2.gz ANEQQCWQZBEVAI-CYBMUJFWSA-N -1 3 322.817 3.773 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)C1CCCC1 ZINC000528022266 337784347 /nfs/dbraw/zinc/78/43/47/337784347.db2.gz JNJBGCJEZHSGRC-UHFFFAOYSA-N -1 3 312.207 3.559 20 0 DHADHM CC(C)CN(C(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000528328248 337800303 /nfs/dbraw/zinc/80/03/03/337800303.db2.gz PFOQDNWMDIIOIR-UHFFFAOYSA-N -1 3 314.223 3.661 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cnn(-c4ccccc4)c3)no2)c1 ZINC000445439162 337830460 /nfs/dbraw/zinc/83/04/60/337830460.db2.gz BKTWZEPBCQNWEQ-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000445442408 337834050 /nfs/dbraw/zinc/83/40/50/337834050.db2.gz PINLSYLWNXVPBL-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1[O-] ZINC000537642330 337954772 /nfs/dbraw/zinc/95/47/72/337954772.db2.gz PGGDCANQEKZGKY-OAHLLOKOSA-N -1 3 322.408 3.584 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c([O-])c(C(C)C)c1 ZINC000537672161 337956219 /nfs/dbraw/zinc/95/62/19/337956219.db2.gz XYZGDCFDCBRWII-SHTZXODSSA-N -1 3 319.445 3.672 20 0 DHADHM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)cc1F ZINC000515870658 338000594 /nfs/dbraw/zinc/00/05/94/338000594.db2.gz VDCCOAPNHUKKQF-UHFFFAOYSA-N -1 3 319.298 3.688 20 0 DHADHM CCCn1c(CN[C@H](C)CCCCC(=O)[O-])nc2ccccc21 ZINC000426647816 338036847 /nfs/dbraw/zinc/03/68/47/338036847.db2.gz QPTJSKVLQFYBFH-CQSZACIVSA-N -1 3 317.433 3.569 20 0 DHADHM COc1ccc(CNCCC(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC000426663938 338037530 /nfs/dbraw/zinc/03/75/30/338037530.db2.gz OJYCLXHEHAKDPK-UHFFFAOYSA-N -1 3 313.825 3.719 20 0 DHADHM CC[C@@H](CNCc1csc(-c2ccc(F)cc2)n1)CC(=O)[O-] ZINC000426669398 338037571 /nfs/dbraw/zinc/03/75/71/338037571.db2.gz LUSYIXMCZRAWKN-LLVKDONJSA-N -1 3 322.405 3.540 20 0 DHADHM Cc1ccc(C[C@H](CNCc2ccsc2Cl)C(=O)[O-])cc1 ZINC000426673083 338037728 /nfs/dbraw/zinc/03/77/28/338037728.db2.gz DJCAADVOSKZODN-CQSZACIVSA-N -1 3 323.845 3.743 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccsc1 ZINC000426678695 338037973 /nfs/dbraw/zinc/03/79/73/338037973.db2.gz RDPUCTQYNXYXJU-AWEZNQCLSA-N -1 3 318.373 3.674 20 0 DHADHM COc1ccc2ccccc2c1CNCc1cccc(C(=O)[O-])c1 ZINC000426680488 338037999 /nfs/dbraw/zinc/03/79/99/338037999.db2.gz OEABCYDBKQRUDE-UHFFFAOYSA-N -1 3 321.376 3.836 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000426719039 338039063 /nfs/dbraw/zinc/03/90/63/338039063.db2.gz DBNOTIYHXZHGCY-ZBEGNZNMSA-N -1 3 305.324 3.516 20 0 DHADHM Cc1cccc([C@H](NCc2cccc3[nH]ccc32)C(=O)[O-])c1C ZINC000426719235 338039072 /nfs/dbraw/zinc/03/90/72/338039072.db2.gz FGLPHSHSZBMXKL-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(F)c(C)c2)C(=O)[O-])c1C ZINC000426731373 338039749 /nfs/dbraw/zinc/03/97/49/338039749.db2.gz OUQYGFHUVQGXEE-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426733230 338039901 /nfs/dbraw/zinc/03/99/01/338039901.db2.gz LWSMHATXFFTCGU-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM CC1([C@H](NCc2ccc(F)cc2Cl)C(=O)[O-])CCCCC1 ZINC000426747255 338040563 /nfs/dbraw/zinc/04/05/63/338040563.db2.gz NYGOMBOIYUZYMS-CQSZACIVSA-N -1 3 313.800 3.992 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1coc2ccccc12)c1ccccc1 ZINC000426755284 338040926 /nfs/dbraw/zinc/04/09/26/338040926.db2.gz YAEUUKHGKNYOQQ-UGSOOPFHSA-N -1 3 309.365 3.984 20 0 DHADHM COc1ccc(C)cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000426756344 338040958 /nfs/dbraw/zinc/04/09/58/338040958.db2.gz JKOIDBQFKDTINR-KDOFPFPSSA-N -1 3 313.397 3.555 20 0 DHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2)c1 ZINC000426764273 338041367 /nfs/dbraw/zinc/04/13/67/338041367.db2.gz WKAPVBDUZIVLNR-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nnn(C(C)C)c1C ZINC000429882541 338091464 /nfs/dbraw/zinc/09/14/64/338091464.db2.gz HTBBCKBUMUDHJY-UHFFFAOYSA-N -1 3 324.837 3.795 20 0 DHADHM O=C([N-]c1cc(F)ccc1F)c1ncsc1C(F)(F)F ZINC000431014949 338120594 /nfs/dbraw/zinc/12/05/94/338120594.db2.gz MGHLWDMSSZXWBV-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(OC(C)(C)C)cn2)c([O-])c1 ZINC000431272984 338127141 /nfs/dbraw/zinc/12/71/41/338127141.db2.gz CGRHLPJYEYBSSV-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)[n-]1 ZINC000431684173 338136351 /nfs/dbraw/zinc/13/63/51/338136351.db2.gz DQMOOTAPGCYWIR-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCCc2cc(F)ccc21 ZINC000431825795 338139395 /nfs/dbraw/zinc/13/93/95/338139395.db2.gz VMZQQYHPCDCZBT-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)C2Cc3ccccc3C2)c1[O-] ZINC000431884092 338140960 /nfs/dbraw/zinc/14/09/60/338140960.db2.gz UMOVJXVTJFRPKQ-UHFFFAOYSA-N -1 3 301.773 3.708 20 0 DHADHM CCOCc1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000431896725 338141273 /nfs/dbraw/zinc/14/12/73/338141273.db2.gz SEQJLAOUHVQHHT-UHFFFAOYSA-N -1 3 319.788 3.512 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2C)c([O-])c(C(C)C)c1 ZINC000432466557 338156862 /nfs/dbraw/zinc/15/68/62/338156862.db2.gz XXWYFAGVURGASV-CXAGYDPISA-N -1 3 319.445 3.794 20 0 DHADHM C[C@@H]1CC2(CCC2)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000432600991 338160343 /nfs/dbraw/zinc/16/03/43/338160343.db2.gz KSZDNOSCPSQCSO-CYBMUJFWSA-N -1 3 305.393 3.645 20 0 DHADHM COC(=O)c1cnc(SCCCc2ccc(Cl)cc2)[n-]1 ZINC000432670807 338162008 /nfs/dbraw/zinc/16/20/08/338162008.db2.gz UCTRTHIDYSGOGO-UHFFFAOYSA-N -1 3 310.806 3.575 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432776218 338167286 /nfs/dbraw/zinc/16/72/86/338167286.db2.gz ZSDOINRWIJOPAR-UHFFFAOYSA-N -1 3 318.442 3.506 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1 ZINC000433146690 338182871 /nfs/dbraw/zinc/18/28/71/338182871.db2.gz WCYVWJNCXSHDFN-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccn(C(CC)CC)n2)n1 ZINC000433643401 338199152 /nfs/dbraw/zinc/19/91/52/338199152.db2.gz UELYEYDZXHSRDP-UHFFFAOYSA-N -1 3 320.462 3.736 20 0 DHADHM CC1CC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000433673459 338199491 /nfs/dbraw/zinc/19/94/91/338199491.db2.gz RMQLCTYNPWIFQN-UHFFFAOYSA-N -1 3 315.847 3.632 20 0 DHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000434626913 338221637 /nfs/dbraw/zinc/22/16/37/338221637.db2.gz KLGJKRFBRXWHAV-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM COc1cccc(C)c1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000435721770 338246131 /nfs/dbraw/zinc/24/61/31/338246131.db2.gz KAXOEXKQIAPWPL-AWEZNQCLSA-N -1 3 319.426 3.549 20 0 DHADHM Cc1nc(Cc2noc(/C=C/c3cccc([O-])c3)n2)sc1C ZINC000435953363 338254023 /nfs/dbraw/zinc/25/40/23/338254023.db2.gz ODTSCOMAFFWPMS-VOTSOKGWSA-N -1 3 313.382 3.610 20 0 DHADHM C[C@@H]1C[C@H](C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000448566738 338254136 /nfs/dbraw/zinc/25/41/36/338254136.db2.gz RTGXXAVXMAMOHF-GASCZTMLSA-N -1 3 311.425 3.983 20 0 DHADHM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000435973680 338254749 /nfs/dbraw/zinc/25/47/49/338254749.db2.gz ONMDBCSADBRJJI-UHFFFAOYSA-N -1 3 319.426 3.621 20 0 DHADHM COc1ccc([C@H](C)Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436531847 338275447 /nfs/dbraw/zinc/27/54/47/338275447.db2.gz HYBCKYGHWVUNBK-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM COc1cc(C2(c3nc(-c4ccc([O-])cc4)no3)CC2)ccc1C ZINC000436533778 338275622 /nfs/dbraw/zinc/27/56/22/338275622.db2.gz NLPFUGIQSFGHBI-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nccs1 ZINC000436533867 338275731 /nfs/dbraw/zinc/27/57/31/338275731.db2.gz HHPANVXJSNNTIR-ZDUSSCGKSA-N -1 3 304.415 3.853 20 0 DHADHM Cc1ccc(CCCc2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436535187 338275801 /nfs/dbraw/zinc/27/58/01/338275801.db2.gz QNZOGOOGCIXQBR-UHFFFAOYSA-N -1 3 300.383 3.987 20 0 DHADHM Cc1sc(CNC(=O)c2ccc(C)cc2[O-])nc1C(C)C ZINC000436553234 338276877 /nfs/dbraw/zinc/27/68/77/338276877.db2.gz ZIVYFIIYVFIZHB-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc3ncccc3c2)c1[O-] ZINC000436559327 338277099 /nfs/dbraw/zinc/27/70/99/338277099.db2.gz ZYNVWVDQFCVLPE-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000436559124 338277112 /nfs/dbraw/zinc/27/71/12/338277112.db2.gz SWTLGQSHXLYWCQ-LLVKDONJSA-N -1 3 318.442 3.946 20 0 DHADHM COc1cccc(-c2nc(-c3cccc(Cl)c3F)no2)c1[O-] ZINC000436561667 338277132 /nfs/dbraw/zinc/27/71/32/338277132.db2.gz IMOSAANMBFXWAE-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM COc1ccc(C(=O)N2CCCCC[C@@H]2CC(C)C)c([O-])c1 ZINC000436560347 338277144 /nfs/dbraw/zinc/27/71/44/338277144.db2.gz BHQWGYQVVKEASK-CQSZACIVSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1cccc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c1[O-] ZINC000436566921 338277371 /nfs/dbraw/zinc/27/73/71/338277371.db2.gz YWBOUELFOHGAJB-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM O=C(c1ccccc1[O-])N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000436581714 338278395 /nfs/dbraw/zinc/27/83/95/338278395.db2.gz GEESHJXXHIAWBO-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c([O-])c1C ZINC000436587706 338278555 /nfs/dbraw/zinc/27/85/55/338278555.db2.gz ZIKCOPBRJAQFEN-HXUWFJFHSA-N -1 3 309.409 3.813 20 0 DHADHM Cc1cccc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1[O-] ZINC000436585049 338278583 /nfs/dbraw/zinc/27/85/83/338278583.db2.gz RBCJYKNQGPBULQ-LLVKDONJSA-N -1 3 317.335 3.738 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000436591379 338278895 /nfs/dbraw/zinc/27/88/95/338278895.db2.gz WHNKMGZUHDFQEY-UHFFFAOYSA-N -1 3 322.320 3.788 20 0 DHADHM O=C(NCc1ccco1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436606738 338279582 /nfs/dbraw/zinc/27/95/82/338279582.db2.gz FALJJOHOMGNIRA-UHFFFAOYSA-N -1 3 307.349 3.506 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCCCO[C@@H](C)c2ccccc2)c1 ZINC000436608014 338279843 /nfs/dbraw/zinc/27/98/43/338279843.db2.gz TXOZFHBVZDIXOE-HNNXBMFYSA-N -1 3 313.397 3.598 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccncc3F)n2)c2ccccc12 ZINC000436611621 338279975 /nfs/dbraw/zinc/27/99/75/338279975.db2.gz LHJJWNCLLLFUOI-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2F)c([O-])c1 ZINC000436622237 338280369 /nfs/dbraw/zinc/28/03/69/338280369.db2.gz CWGLFIVUWAYOFI-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)s1 ZINC000436627286 338280467 /nfs/dbraw/zinc/28/04/67/338280467.db2.gz SAEZVKHWOXPBBQ-JTQLQIEISA-N -1 3 311.790 3.694 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(C)cc1[O-] ZINC000436631348 338280588 /nfs/dbraw/zinc/28/05/88/338280588.db2.gz RVDKLLGYCIJJJE-MRXNPFEDSA-N -1 3 311.381 3.517 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c([O-])c1C ZINC000436627519 338280691 /nfs/dbraw/zinc/28/06/91/338280691.db2.gz WOGNSOQQHJZUPX-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM CCC1CCC(N(C(=O)c2ccc([O-])c(OC)c2)C2CC2)CC1 ZINC000436635610 338280735 /nfs/dbraw/zinc/28/07/35/338280735.db2.gz MQEWGBXVCZHBAB-UHFFFAOYSA-N -1 3 317.429 3.974 20 0 DHADHM COc1cccc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c1[O-] ZINC000436667871 338282166 /nfs/dbraw/zinc/28/21/66/338282166.db2.gz YTMPJWJVNAZKSL-AWEZNQCLSA-N -1 3 317.429 3.833 20 0 DHADHM Cc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc(C)c1O ZINC000436666555 338282169 /nfs/dbraw/zinc/28/21/69/338282169.db2.gz QWLCPCVZVUVZDV-UHFFFAOYSA-N -1 3 300.745 3.566 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC000436680303 338282531 /nfs/dbraw/zinc/28/25/31/338282531.db2.gz NPQZFUPMZUWWJF-AWEZNQCLSA-N -1 3 323.314 3.777 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc3ncsc3c2)c([O-])c1 ZINC000436684305 338282658 /nfs/dbraw/zinc/28/26/58/338282658.db2.gz YJUPHMLJWIVFAF-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436694557 338283216 /nfs/dbraw/zinc/28/32/16/338283216.db2.gz AQYDPWDYNVUUKQ-LSDHHAIUSA-N -1 3 307.459 3.701 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436713393 338283762 /nfs/dbraw/zinc/28/37/62/338283762.db2.gz FCUXBJFTZZYUSX-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM O=C(Nc1ccc2c(Cl)cccc2n1)c1c([O-])cccc1O ZINC000436715748 338283934 /nfs/dbraw/zinc/28/39/34/338283934.db2.gz QLTGGOYTFWSYFY-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000436724418 338284328 /nfs/dbraw/zinc/28/43/28/338284328.db2.gz RSXXDIXKQOEDNJ-AWEZNQCLSA-N -1 3 318.376 3.945 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000436724419 338284386 /nfs/dbraw/zinc/28/43/86/338284386.db2.gz RSXXDIXKQOEDNJ-CQSZACIVSA-N -1 3 318.376 3.945 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436739679 338284757 /nfs/dbraw/zinc/28/47/57/338284757.db2.gz OZPQPSZQWREBNV-MRXNPFEDSA-N -1 3 313.397 3.933 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CCO1 ZINC000436764608 338286302 /nfs/dbraw/zinc/28/63/02/338286302.db2.gz MNLSPXMBJAUAFJ-OAHLLOKOSA-N -1 3 319.445 3.890 20 0 DHADHM COc1cc(-c2noc(-c3ccccc3Cl)n2)ccc1[O-] ZINC000436784311 338287359 /nfs/dbraw/zinc/28/73/59/338287359.db2.gz KVIZUVWDDNWXDN-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cc1ccc(C(=O)Nc2nccn2Cc2ccccc2)c([O-])c1C ZINC000436804907 338288032 /nfs/dbraw/zinc/28/80/32/338288032.db2.gz BUVMWMUUDQSLNB-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000436822845 338288637 /nfs/dbraw/zinc/28/86/37/338288637.db2.gz RDADLKVEJPDJRW-CQSZACIVSA-N -1 3 307.459 3.702 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436826589 338288820 /nfs/dbraw/zinc/28/88/20/338288820.db2.gz ASJZTTYRWLQEDV-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM CCc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000436831406 338289034 /nfs/dbraw/zinc/28/90/34/338289034.db2.gz FZURWBTVNZZONL-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436835001 338289260 /nfs/dbraw/zinc/28/92/60/338289260.db2.gz BXPFRTFTFIELNT-CYBMUJFWSA-N -1 3 315.413 3.534 20 0 DHADHM CCCOc1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436841666 338289491 /nfs/dbraw/zinc/28/94/91/338289491.db2.gz WFSHLBVBANCROZ-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM COc1cccc(C(=O)N2CCC(C)(C)c3ccccc32)c1[O-] ZINC000436844789 338289617 /nfs/dbraw/zinc/28/96/17/338289617.db2.gz AWCPFBHAJXVPSS-UHFFFAOYSA-N -1 3 311.381 3.729 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436844579 338289714 /nfs/dbraw/zinc/28/97/14/338289714.db2.gz GPVJCYXMCSBKKW-QGZVFWFLSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)c([O-])c1 ZINC000436870206 338290799 /nfs/dbraw/zinc/29/07/99/338290799.db2.gz CWZFXMMAKPIMMH-UHFFFAOYSA-N -1 3 310.353 3.994 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436874696 338291124 /nfs/dbraw/zinc/29/11/24/338291124.db2.gz BEBJOKYDHZWTSM-AWEZNQCLSA-N -1 3 321.417 3.594 20 0 DHADHM COc1cc(-c2noc([C@@H](F)c3ccccc3)n2)ccc1[O-] ZINC000436878524 338291227 /nfs/dbraw/zinc/29/12/27/338291227.db2.gz UEJXBINIFGWOFM-AWEZNQCLSA-N -1 3 300.289 3.510 20 0 DHADHM CCOc1cc(-c2noc([C@H](F)c3ccccc3)n2)ccc1[O-] ZINC000436876404 338291249 /nfs/dbraw/zinc/29/12/49/338291249.db2.gz IJPIZKUGKIGARL-OAHLLOKOSA-N -1 3 314.316 3.900 20 0 DHADHM Cc1cccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1[O-] ZINC000436884754 338291673 /nfs/dbraw/zinc/29/16/73/338291673.db2.gz HFZYJNAVHYDKGK-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(CC2CC2)no1 ZINC000436889059 338291895 /nfs/dbraw/zinc/29/18/95/338291895.db2.gz AODAYXHXIZZMBR-UHFFFAOYSA-N -1 3 306.365 3.986 20 0 DHADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000436887585 338292050 /nfs/dbraw/zinc/29/20/50/338292050.db2.gz RGBKCLSTAFYNHE-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc(F)c(OC)c3)no2)c1 ZINC000436891751 338292230 /nfs/dbraw/zinc/29/22/30/338292230.db2.gz YSJNLUPFRIBREF-UHFFFAOYSA-N -1 3 314.316 3.819 20 0 DHADHM Cc1cnccc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000436902945 338292954 /nfs/dbraw/zinc/29/29/54/338292954.db2.gz LIJQGRFMFKLWCH-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM O=C(NC1CCC(c2ccccc2)CC1)c1ccc(O)cc1[O-] ZINC000436915582 338293172 /nfs/dbraw/zinc/29/31/72/338293172.db2.gz PCINGGRRVVWXEI-UHFFFAOYSA-N -1 3 311.381 3.554 20 0 DHADHM CCCCOc1ccc(C(=O)N(CC)CC2CCC2)c([O-])c1 ZINC000436918108 338293457 /nfs/dbraw/zinc/29/34/57/338293457.db2.gz DTBODEDSZZHXMQ-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1[nH]c2ccc(CNC(=O)c3ccc([O-])c(C)c3)cc2c1C ZINC000436927712 338293783 /nfs/dbraw/zinc/29/37/83/338293783.db2.gz QKPGIXXRSARLQC-UHFFFAOYSA-N -1 3 308.381 3.729 20 0 DHADHM CCc1cccnc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436927463 338293851 /nfs/dbraw/zinc/29/38/51/338293851.db2.gz NYMLOEVZKGDFFR-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM COc1ccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)c([O-])c1 ZINC000436929411 338294006 /nfs/dbraw/zinc/29/40/06/338294006.db2.gz UOAFUESABGUSCO-NSHDSACASA-N -1 3 323.801 3.533 20 0 DHADHM CC(C)OCCCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436942965 338294959 /nfs/dbraw/zinc/29/49/59/338294959.db2.gz DGBUZRFMGXPIOW-UHFFFAOYSA-N -1 3 312.369 3.953 20 0 DHADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCc2ccccc21 ZINC000436946216 338295149 /nfs/dbraw/zinc/29/51/49/338295149.db2.gz WMJIFHZRGRSLGN-KRWDZBQOSA-N -1 3 311.381 3.638 20 0 DHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436951141 338295495 /nfs/dbraw/zinc/29/54/95/338295495.db2.gz DMSAETFZRKDMCL-GFCCVEGCSA-N -1 3 315.413 3.510 20 0 DHADHM O=C(Nc1ccccn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953261 338295531 /nfs/dbraw/zinc/29/55/31/338295531.db2.gz NOZRCEXVDHPFDI-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C(C)C)nc3)n2)ccc1[O-] ZINC000436952584 338295566 /nfs/dbraw/zinc/29/55/66/338295566.db2.gz JTWNBSWOILMBAA-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM CC1(C)Cc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)c([O-])c2O1 ZINC000436950898 338295599 /nfs/dbraw/zinc/29/55/99/338295599.db2.gz QHBHWGGVMRLBLB-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000436952098 338295621 /nfs/dbraw/zinc/29/56/21/338295621.db2.gz VLRXTUDAARXXNT-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H](c2ccccc2)C1 ZINC000436955809 338295646 /nfs/dbraw/zinc/29/56/46/338295646.db2.gz IOCHFLAHCOOARN-KRWDZBQOSA-N -1 3 321.420 3.901 20 0 DHADHM COCC1(c2noc(-c3ccc(C)c(C)c3[O-])n2)CCCCC1 ZINC000436954904 338295666 /nfs/dbraw/zinc/29/56/66/338295666.db2.gz ITJMCMOINCCVTA-UHFFFAOYSA-N -1 3 316.401 3.907 20 0 DHADHM CO[C@H](c1noc(-c2cc(C)ccc2[O-])n1)c1ccc(F)cc1 ZINC000436953675 338295778 /nfs/dbraw/zinc/29/57/78/338295778.db2.gz RADBCGDDRVHTAN-HNNXBMFYSA-N -1 3 314.316 3.626 20 0 DHADHM Cc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccn1 ZINC000436956480 338295815 /nfs/dbraw/zinc/29/58/15/338295815.db2.gz MURTVOGLNXROFY-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)c([O-])c1 ZINC000436971150 338296347 /nfs/dbraw/zinc/29/63/47/338296347.db2.gz IJTBTKVSEWNQGX-UHFFFAOYSA-N -1 3 317.385 3.745 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCC[C@H](C)C2)c([O-])c1 ZINC000436980010 338296571 /nfs/dbraw/zinc/29/65/71/338296571.db2.gz LXXQBLBWJLWLQW-AWEZNQCLSA-N -1 3 305.418 3.833 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC000436983979 338296875 /nfs/dbraw/zinc/29/68/75/338296875.db2.gz XYNGCOSJUHBWLS-KGLIPLIRSA-N -1 3 305.418 3.689 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC3(C2)CCCCC3)c([O-])c1 ZINC000436987143 338296887 /nfs/dbraw/zinc/29/68/87/338296887.db2.gz SPPDUEMMLWRYQI-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM CCSc1nccnc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000437005414 338297495 /nfs/dbraw/zinc/29/74/95/338297495.db2.gz YDUIPUFAPDXOHP-UHFFFAOYSA-N -1 3 323.805 3.508 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000438150806 338334320 /nfs/dbraw/zinc/33/43/20/338334320.db2.gz KOKYGRHBOBBEJF-UHFFFAOYSA-N -1 3 303.308 3.632 20 0 DHADHM CC(=O)Nc1ccc(C)c(NCc2c(F)ccc([O-])c2F)c1 ZINC000438853222 338353960 /nfs/dbraw/zinc/35/39/60/338353960.db2.gz SZMMOULDIGKWIY-UHFFFAOYSA-N -1 3 306.312 3.549 20 0 DHADHM C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000439019842 338358573 /nfs/dbraw/zinc/35/85/73/338358573.db2.gz MPKZYVASTDWNPC-LBPRGKRZSA-N -1 3 324.409 3.910 20 0 DHADHM C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000439019842 338358574 /nfs/dbraw/zinc/35/85/74/338358574.db2.gz MPKZYVASTDWNPC-LBPRGKRZSA-N -1 3 324.409 3.910 20 0 DHADHM C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000439019842 338358575 /nfs/dbraw/zinc/35/85/75/338358575.db2.gz MPKZYVASTDWNPC-LBPRGKRZSA-N -1 3 324.409 3.910 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)c([O-])c1C ZINC000439057673 338359794 /nfs/dbraw/zinc/35/97/94/338359794.db2.gz LUAAZAOVEJORGS-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM CCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448632753 338382997 /nfs/dbraw/zinc/38/29/97/338382997.db2.gz BOURLCSJKSCMHU-UHFFFAOYSA-N -1 3 301.361 3.513 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2c(F)cccc2OC)c1 ZINC000440142906 338383655 /nfs/dbraw/zinc/38/36/55/338383655.db2.gz DDLXVXWSFOLLMK-LLVKDONJSA-N -1 3 317.360 3.593 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)no1 ZINC000441568263 338416477 /nfs/dbraw/zinc/41/64/77/338416477.db2.gz QNMPZAYMJGDTBU-UHFFFAOYSA-N -1 3 300.692 3.982 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442304614 338423233 /nfs/dbraw/zinc/42/32/33/338423233.db2.gz ZFWWSHPEOHGKOM-UHFFFAOYSA-N -1 3 322.151 3.599 20 0 DHADHM O=C(CSC1CC1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450033079 338664051 /nfs/dbraw/zinc/66/40/51/338664051.db2.gz OOJSEHIRHYMKOQ-UHFFFAOYSA-N -1 3 313.422 3.817 20 0 DHADHM O=C(CC1CC(F)(F)C1)Nc1cc(Br)ccc1[O-] ZINC000450047321 338664731 /nfs/dbraw/zinc/66/47/31/338664731.db2.gz LGAJFMWQZUCILR-UHFFFAOYSA-N -1 3 320.133 3.529 20 0 DHADHM Cc1cccc2c1C[C@H](C(=O)N1CC[C@@H](C)c3cccc([O-])c31)O2 ZINC000450942086 338713600 /nfs/dbraw/zinc/71/36/00/338713600.db2.gz ULVKCHQOGOGKGW-FZKQIMNGSA-N -1 3 323.392 3.545 20 0 DHADHM C[C@H]1Cc2cccc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)c2O1 ZINC000450942932 338713682 /nfs/dbraw/zinc/71/36/82/338713682.db2.gz VMOVJKZNVWUOIR-STQMWFEESA-N -1 3 323.392 3.870 20 0 DHADHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cncc(Cl)c2C)c1 ZINC000451061069 338720001 /nfs/dbraw/zinc/72/00/01/338720001.db2.gz AMJZADHUQPVUPZ-UHFFFAOYSA-N -1 3 324.833 3.602 20 0 DHADHM CC1=C[C@H](C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451391662 338732415 /nfs/dbraw/zinc/73/24/15/338732415.db2.gz HBKURWXGCPVXIG-AWEZNQCLSA-N -1 3 309.409 3.903 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cnc(C3CC3)nc2)c([O-])c1 ZINC000451483046 338736420 /nfs/dbraw/zinc/73/64/20/338736420.db2.gz XDUDRKIOUVJFCB-UHFFFAOYSA-N -1 3 311.385 3.609 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@@](C)(F)C2)c([O-])c1 ZINC000452204127 338758408 /nfs/dbraw/zinc/75/84/08/338758408.db2.gz GYWDYZSTLUYXHO-QGZVFWFLSA-N -1 3 309.381 3.535 20 0 DHADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452528361 338770161 /nfs/dbraw/zinc/77/01/61/338770161.db2.gz NSGMQJGULCCRGA-GHMZBOCLSA-N -1 3 315.335 3.967 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457285477 338958205 /nfs/dbraw/zinc/95/82/05/338958205.db2.gz QXDQFRFZASXDGL-CQSZACIVSA-N -1 3 314.410 3.606 20 0 DHADHM CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000458337752 338996796 /nfs/dbraw/zinc/99/67/96/338996796.db2.gz LBZIOVYPINRMER-OAHLLOKOSA-N -1 3 312.413 3.617 20 0 DHADHM C[C@H](c1ccccc1Cl)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459311216 339021055 /nfs/dbraw/zinc/02/10/55/339021055.db2.gz VORLKYISGXCYHV-LLVKDONJSA-N -1 3 317.820 3.906 20 0 DHADHM Cc1ccccc1[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459392469 339026723 /nfs/dbraw/zinc/02/67/23/339026723.db2.gz UISCDPUFOFYKDV-SFHVURJKSA-N -1 3 309.413 3.609 20 0 DHADHM CSc1ccccc1[C@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459437570 339029106 /nfs/dbraw/zinc/02/91/06/339029106.db2.gz SEFKMDHQSYNXBG-NSHDSACASA-N -1 3 315.442 3.632 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2c(F)cccc2OC)s1 ZINC000462121001 339072603 /nfs/dbraw/zinc/07/26/03/339072603.db2.gz MEQXULUAHHWYCX-UHFFFAOYSA-N -1 3 323.393 3.671 20 0 DHADHM CC(C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC000463111251 339106162 /nfs/dbraw/zinc/10/61/62/339106162.db2.gz YBAXKDXYVPBZJW-SCSAIBSYSA-N -1 3 302.079 3.836 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCc2cccc(-c3cccnc3)c2)c1 ZINC000464331902 339139920 /nfs/dbraw/zinc/13/99/20/339139920.db2.gz IPMNNYGNXAWPRQ-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCCc2cccc([O-])c21 ZINC000468327438 339259893 /nfs/dbraw/zinc/25/98/93/339259893.db2.gz QRKUHGMJFAWWFA-YOEHRIQHSA-N -1 3 317.429 3.657 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)ccc1[O-] ZINC000468842295 339272420 /nfs/dbraw/zinc/27/24/20/339272420.db2.gz DTRCKMWHAGJGGI-FQEVSTJZSA-N -1 3 309.409 3.938 20 0 DHADHM CCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000469159419 339281801 /nfs/dbraw/zinc/28/18/01/339281801.db2.gz MQCAUHAOSLOQFA-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM C[C@@H]1CCN(C(=O)CO[C@H]2CCCC[C@@H]2C)c2c([O-])cccc21 ZINC000469209046 339283155 /nfs/dbraw/zinc/28/31/55/339283155.db2.gz CQRLINLYMKKXBS-KEYYUXOJSA-N -1 3 317.429 3.828 20 0 DHADHM CCCC(O)(CCC)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000469248068 339284215 /nfs/dbraw/zinc/28/42/15/339284215.db2.gz SGUBIAIKCFVDTG-CQSZACIVSA-N -1 3 319.445 3.954 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469374677 339287265 /nfs/dbraw/zinc/28/72/65/339287265.db2.gz FJGYRIUSIWCLSB-ZIAGYGMSSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469374355 339287274 /nfs/dbraw/zinc/28/72/74/339287274.db2.gz AMTKTCVJMGOSCX-UHFFFAOYSA-N -1 3 315.388 3.521 20 0 DHADHM C[C@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000469382971 339287511 /nfs/dbraw/zinc/28/75/11/339287511.db2.gz CSRNWLGOHKQPPT-NHAGDIPZSA-N -1 3 307.409 3.795 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000469414580 339288390 /nfs/dbraw/zinc/28/83/90/339288390.db2.gz SZMDEKZAUFUCEM-ZBFHGGJFSA-N -1 3 305.393 3.645 20 0 DHADHM CC[C@H](CC(F)(F)F)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469561093 339293352 /nfs/dbraw/zinc/29/33/52/339293352.db2.gz WNIZNMORWJEPPF-LLVKDONJSA-N -1 3 321.314 3.701 20 0 DHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000469804971 339301260 /nfs/dbraw/zinc/30/12/60/339301260.db2.gz VMDFUMUPWOJDLQ-CYBMUJFWSA-N -1 3 307.409 3.749 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC12CCCCC2 ZINC000469817148 339301950 /nfs/dbraw/zinc/30/19/50/339301950.db2.gz PESINKZMAIILQU-MRXNPFEDSA-N -1 3 305.393 3.693 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000470115616 339311151 /nfs/dbraw/zinc/31/11/51/339311151.db2.gz AVLCKBHBNKAZMB-CYBMUJFWSA-N -1 3 315.335 3.758 20 0 DHADHM CC(C)c1ccc(/C=C\CC(=O)NCc2ncccc2[O-])cc1 ZINC000473636993 339389367 /nfs/dbraw/zinc/38/93/67/339389367.db2.gz ABZJZZUXQRIGFY-HYXAFXHYSA-N -1 3 310.397 3.630 20 0 DHADHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])O2 ZINC000476399349 339476024 /nfs/dbraw/zinc/47/60/24/339476024.db2.gz RBRJXCAQNSZLKF-MRXNPFEDSA-N -1 3 317.772 3.686 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1cccc2ccccc21 ZINC000477499232 339496041 /nfs/dbraw/zinc/49/60/41/339496041.db2.gz ARDXAEYUGWXTDB-UHFFFAOYSA-N -1 3 317.435 3.886 20 0 DHADHM CCCOc1ccc(C(C)(C)NC(=O)c2cccc([O-])c2)cc1 ZINC000478530654 339517209 /nfs/dbraw/zinc/51/72/09/339517209.db2.gz QTJKWAHGJVDXEP-UHFFFAOYSA-N -1 3 313.397 3.846 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)cc1 ZINC000479568408 339541529 /nfs/dbraw/zinc/54/15/29/339541529.db2.gz IOTFHJPRRBUHRR-UHFFFAOYSA-N -1 3 323.389 3.506 20 0 DHADHM CC(C)(C)c1cccc(NC(=O)C(=O)c2ccc(F)cc2)c1[O-] ZINC000480069699 339557576 /nfs/dbraw/zinc/55/75/76/339557576.db2.gz RPJQNPYCOXFPSD-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCC[C@H]1CC ZINC000483967649 339678817 /nfs/dbraw/zinc/67/88/17/339678817.db2.gz WMYOHSILNOLNDB-NEPJUHHUSA-N -1 3 322.405 3.569 20 0 DHADHM CCc1cc(C(=O)N2CCc3ccc(Cl)cc32)ccc1[O-] ZINC000486003879 339718408 /nfs/dbraw/zinc/71/84/08/339718408.db2.gz MHZZGOKCTLWVKR-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486102142 339721123 /nfs/dbraw/zinc/72/11/23/339721123.db2.gz CHYRBZQHNQVXSJ-GXFFZTMASA-N -1 3 317.307 3.555 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1[O-] ZINC000498514856 339759663 /nfs/dbraw/zinc/75/96/63/339759663.db2.gz HPXAQGKMCWLLQT-GOSISDBHSA-N -1 3 309.409 3.938 20 0 DHADHM CCc1cc(C(=O)NCCc2ccc(SC)cc2)ccc1[O-] ZINC000487666450 339760702 /nfs/dbraw/zinc/76/07/02/339760702.db2.gz JSHJJSCJXQPRBF-UHFFFAOYSA-N -1 3 315.438 3.649 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)ccc1[O-] ZINC000498517385 339762327 /nfs/dbraw/zinc/76/23/27/339762327.db2.gz QJFHBJBGCXYIHX-KRWDZBQOSA-N -1 3 313.372 3.687 20 0 DHADHM CCOc1cc(Cl)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000489161530 339802786 /nfs/dbraw/zinc/80/27/86/339802786.db2.gz JTHPUPVUXJUSDE-UHFFFAOYSA-N -1 3 309.724 3.836 20 0 DHADHM O=C(C/C=C\c1cccc(F)c1)N1CCCc2cccc([O-])c21 ZINC000490895663 339843087 /nfs/dbraw/zinc/84/30/87/339843087.db2.gz BLPODQDIKIWNEG-KXFIGUGUSA-N -1 3 311.356 3.914 20 0 DHADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000491007332 339845888 /nfs/dbraw/zinc/84/58/88/339845888.db2.gz NZSQXXSASSOWSF-HNNXBMFYSA-N -1 3 323.314 3.858 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccccc1-n1cccn1 ZINC000492026817 339889468 /nfs/dbraw/zinc/88/94/68/339889468.db2.gz AAVKPYOGONBCOR-ZHACJKMWSA-N -1 3 319.364 3.538 20 0 DHADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)c2ccccc21 ZINC000494017305 339938956 /nfs/dbraw/zinc/93/89/56/339938956.db2.gz MEBLVIGJGNSFBX-VIFPVBQESA-N -1 3 316.357 3.632 20 0 DHADHM COc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1Cl ZINC000494997491 339969498 /nfs/dbraw/zinc/96/94/98/339969498.db2.gz OCJKVZJWIRODSY-UHFFFAOYSA-N -1 3 317.772 3.647 20 0 DHADHM CCc1ccc([O-])c(C(=O)NCc2cc(-c3ccccc3)no2)c1 ZINC000499681802 340042686 /nfs/dbraw/zinc/04/26/86/340042686.db2.gz XOOAXLDXNCMEFR-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM Cc1cc(C(=O)NC2(c3cccc(Cl)c3)CC2)ccc1[O-] ZINC000499821256 340045304 /nfs/dbraw/zinc/04/53/04/340045304.db2.gz YGHNFSOMFIVQMQ-UHFFFAOYSA-N -1 3 301.773 3.773 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000501843977 340089664 /nfs/dbraw/zinc/08/96/64/340089664.db2.gz DDYDDUNAFMKIAT-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000502995959 340118291 /nfs/dbraw/zinc/11/82/91/340118291.db2.gz HFZDAUAKULTYGN-AWEZNQCLSA-N -1 3 313.372 3.723 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505379415 340167547 /nfs/dbraw/zinc/16/75/47/340167547.db2.gz KCPBYYPJUHYFPI-ZNFPLGDCSA-N -1 3 323.392 3.719 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cn2cc3ccccc3n2)c([O-])c1 ZINC000506230039 340189452 /nfs/dbraw/zinc/18/94/52/340189452.db2.gz IKOBVVWETPIWFS-UHFFFAOYSA-N -1 3 323.396 3.678 20 0 DHADHM COc1ccc([C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC000507998325 340237079 /nfs/dbraw/zinc/23/70/79/340237079.db2.gz LMRKMLXAHMTEDA-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM C[C@H](Cc1ccc(O)cc1)N(C)Cc1cccc([O-])c1Cl ZINC000508501337 340244924 /nfs/dbraw/zinc/24/49/24/340244924.db2.gz AVGOUBYZZCZQDX-GFCCVEGCSA-N -1 3 305.805 3.814 20 0 DHADHM CCOc1ccc2c(c1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000508789036 340253166 /nfs/dbraw/zinc/25/31/66/340253166.db2.gz LKTAYXUBILJABK-UHFFFAOYSA-N -1 3 319.351 3.627 20 0 DHADHM CC[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508801564 340253447 /nfs/dbraw/zinc/25/34/47/340253447.db2.gz IUMMOBNDWJSQBK-CYBMUJFWSA-N -1 3 317.816 3.898 20 0 DHADHM Cc1cccc([C@H](C)CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508923280 340255853 /nfs/dbraw/zinc/25/58/53/340255853.db2.gz NPPWDONYXWLTBW-CYBMUJFWSA-N -1 3 317.816 3.816 20 0 DHADHM Cc1cccc([C@@H](C)CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508923282 340255865 /nfs/dbraw/zinc/25/58/65/340255865.db2.gz NPPWDONYXWLTBW-ZDUSSCGKSA-N -1 3 317.816 3.816 20 0 DHADHM CCCCc1nc2cc(NC(=O)c3cccc([O-])c3)ccc2[nH]1 ZINC000509025555 340258605 /nfs/dbraw/zinc/25/86/05/340258605.db2.gz XVSQBHABJQTFQW-UHFFFAOYSA-N -1 3 309.369 3.863 20 0 DHADHM CN(CCOCc1ccccc1)Cc1cccc([O-])c1Cl ZINC000509048854 340259518 /nfs/dbraw/zinc/25/95/18/340259518.db2.gz PTLVOQVDYPIUHF-UHFFFAOYSA-N -1 3 305.805 3.694 20 0 DHADHM CC(C)[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000509240153 340264350 /nfs/dbraw/zinc/26/43/50/340264350.db2.gz NBADCDQORCBPPS-INIZCTEOSA-N -1 3 305.324 3.798 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCCc2ccccc21 ZINC000509308703 340265914 /nfs/dbraw/zinc/26/59/14/340265914.db2.gz YWSFMQCRMLOPBT-UHFFFAOYSA-N -1 3 315.800 3.958 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2ccc(Cl)s2)c1F ZINC000509973822 340284449 /nfs/dbraw/zinc/28/44/49/340284449.db2.gz UTBHMHUGEZDRSI-UHFFFAOYSA-N -1 3 303.761 3.718 20 0 DHADHM COc1ccc([C@@H](NC(=O)c2cccc(C)c2[O-])C2CC2)cc1 ZINC000302902660 340285775 /nfs/dbraw/zinc/28/57/75/340285775.db2.gz XIMRDONQJIPFGS-KRWDZBQOSA-N -1 3 311.381 3.590 20 0 DHADHM COc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1[O-] ZINC000302904323 340285810 /nfs/dbraw/zinc/28/58/10/340285810.db2.gz XHPMNATYUJTCAZ-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC000303192642 340311495 /nfs/dbraw/zinc/31/14/95/340311495.db2.gz MKBGPWLCZJJXAV-UHFFFAOYSA-N -1 3 307.390 3.887 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)c(C)cc1C ZINC000511071272 340319917 /nfs/dbraw/zinc/31/99/17/340319917.db2.gz BXDPFKVWAQSPHI-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ncccc1[O-] ZINC000511094867 340320522 /nfs/dbraw/zinc/32/05/22/340320522.db2.gz YJPPYKSSGZENHA-UHFFFAOYSA-N -1 3 311.168 3.665 20 0 DHADHM C[C@H](CC1CCCCC1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000511164321 340322991 /nfs/dbraw/zinc/32/29/91/340322991.db2.gz GPCKPAJUQNLRBR-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM C[C@H](CC1CCCCC1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000511164321 340322992 /nfs/dbraw/zinc/32/29/92/340322992.db2.gz GPCKPAJUQNLRBR-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM C[C@H](CC1CCCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000511164321 340322993 /nfs/dbraw/zinc/32/29/93/340322993.db2.gz GPCKPAJUQNLRBR-LLVKDONJSA-N -1 3 302.378 3.610 20 0 DHADHM Cc1ccc(O[C@@H](C)CNCc2c(F)ccc([O-])c2F)cc1 ZINC000511414380 340326877 /nfs/dbraw/zinc/32/68/77/340326877.db2.gz KURRPYSKXPZHSJ-LBPRGKRZSA-N -1 3 307.340 3.536 20 0 DHADHM COc1cccc(C(C)(C)CNCc2c(F)ccc([O-])c2F)c1 ZINC000511699349 340335499 /nfs/dbraw/zinc/33/54/99/340335499.db2.gz GPAFFDRSBXXJSL-UHFFFAOYSA-N -1 3 321.367 3.746 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(Cc3ccc(F)cc3)CC2)c1F ZINC000511937586 340343197 /nfs/dbraw/zinc/34/31/97/340343197.db2.gz IBKXOQPCAWSVNQ-UHFFFAOYSA-N -1 3 321.342 3.922 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000512026263 340345743 /nfs/dbraw/zinc/34/57/43/340345743.db2.gz SHVXGKWWNZUNCS-IUCAKERBSA-N -1 3 310.246 3.706 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1 ZINC000304070685 340359579 /nfs/dbraw/zinc/35/95/79/340359579.db2.gz UITIWOQCAUPIPG-DOTOQJQBSA-N -1 3 309.409 3.966 20 0 DHADHM O=S(=O)([N-]CCC1=CCCC1)c1c(Cl)cccc1Cl ZINC000513159958 340395506 /nfs/dbraw/zinc/39/55/06/340395506.db2.gz JYGFLEHIZSGAMT-UHFFFAOYSA-N -1 3 320.241 3.772 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000176728257 340430776 /nfs/dbraw/zinc/43/07/76/340430776.db2.gz DQSBXBOPBGONIZ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000517031536 340462106 /nfs/dbraw/zinc/46/21/06/340462106.db2.gz IBSQXTQZJIFJOX-CZUORRHYSA-N -1 3 319.401 3.519 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)C ZINC000517287154 340467499 /nfs/dbraw/zinc/46/74/99/340467499.db2.gz MFCWZXLLYXYCOX-GFCCVEGCSA-N -1 3 307.818 3.582 20 0 DHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c1 ZINC000517723669 340476025 /nfs/dbraw/zinc/47/60/25/340476025.db2.gz LTAZZPRFZBLXIH-RYUDHWBXSA-N -1 3 319.829 3.632 20 0 DHADHM Cc1cccc([O-])c1NC(=O)COc1ccc(F)cc1Cl ZINC000183075055 340486454 /nfs/dbraw/zinc/48/64/54/340486454.db2.gz MJRROYMIKQQJKK-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCc1nnsc1C(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000193234788 340574730 /nfs/dbraw/zinc/57/47/30/340574730.db2.gz VXRKRDULIKMCSW-UHFFFAOYSA-N -1 3 324.818 3.616 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1coc(-c2ccccc2)n1 ZINC000523415182 340623467 /nfs/dbraw/zinc/62/34/67/340623467.db2.gz MKRYNTYFGXPIOM-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM COc1cccc(C(=O)N(CCC(C)C)C2CCCC2)c1[O-] ZINC000316574692 340692945 /nfs/dbraw/zinc/69/29/45/340692945.db2.gz LOLSUSGZEWTJRG-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000528958390 340740749 /nfs/dbraw/zinc/74/07/49/340740749.db2.gz HRVDCTUQWMARBN-SKDRFNHKSA-N -1 3 312.207 3.558 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccccc2C)c1[O-] ZINC000529390459 340753808 /nfs/dbraw/zinc/75/38/08/340753808.db2.gz YUFGSRPKFQMEHN-ZDUSSCGKSA-N -1 3 311.381 3.721 20 0 DHADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(Br)c1 ZINC000529525330 340759398 /nfs/dbraw/zinc/75/93/98/340759398.db2.gz RSLFLHJXVIRKQF-MVCUKOFQSA-N -1 3 324.218 3.558 20 0 DHADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cccc([O-])c1 ZINC000530034199 340777741 /nfs/dbraw/zinc/77/77/41/340777741.db2.gz GNVAPFHYLZITRW-QGZVFWFLSA-N -1 3 313.372 3.940 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)o1 ZINC000124198834 340797719 /nfs/dbraw/zinc/79/77/19/340797719.db2.gz SFDSHMYODZEKGP-WBMJQRKESA-N -1 3 311.381 3.913 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1Cl ZINC000063333870 340798247 /nfs/dbraw/zinc/79/82/47/340798247.db2.gz VCQUZKLMZCSFSN-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(COC(C)C)c2)c1[O-] ZINC000126361395 340826369 /nfs/dbraw/zinc/82/63/69/340826369.db2.gz XAMFNCDPBHBROA-UHFFFAOYSA-N -1 3 315.369 3.578 20 0 DHADHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000128299345 340866869 /nfs/dbraw/zinc/86/68/69/340866869.db2.gz XUTLICQSPWCMBJ-LBPRGKRZSA-N -1 3 317.360 3.763 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128578486 340898590 /nfs/dbraw/zinc/89/85/90/340898590.db2.gz MPSZVSYUGYAAOB-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000128879996 340925249 /nfs/dbraw/zinc/92/52/49/340925249.db2.gz UBQLDQNXHVDKHL-LLVKDONJSA-N -1 3 305.324 3.878 20 0 DHADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc([O-])c1F ZINC000128956097 340931840 /nfs/dbraw/zinc/93/18/40/340931840.db2.gz CHILXYBXQFODPM-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000129284611 340952705 /nfs/dbraw/zinc/95/27/05/340952705.db2.gz RVBVKJGTAASEGT-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM CC1(C)CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542008343 340993154 /nfs/dbraw/zinc/99/31/54/340993154.db2.gz JAHUUFOWSNNTQY-SNVBAGLBSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1ccc2[n-]cc(C(=O)N(C)C3CCCCCC3)c(=O)c2c1 ZINC000542497550 341010597 /nfs/dbraw/zinc/01/05/97/341010597.db2.gz CRWCUAHTHSZTFK-UHFFFAOYSA-N -1 3 312.413 3.631 20 0 DHADHM Cc1ccccc1-c1cnc(C[S@](=O)c2cccc([O-])c2)o1 ZINC000543622157 341051401 /nfs/dbraw/zinc/05/14/01/341051401.db2.gz GCKWETLPDWQWCT-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM COc1cccc(C(=O)Nc2c(C)noc2-c2ccccc2)c1[O-] ZINC000131018417 341056346 /nfs/dbraw/zinc/05/63/46/341056346.db2.gz ULSKMVFVSMOQQK-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])oc1C ZINC000131407370 341084732 /nfs/dbraw/zinc/08/47/32/341084732.db2.gz VYSMLOVIJRTTLC-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccn(-c2ccccc2)n1 ZINC000072506849 341087621 /nfs/dbraw/zinc/08/76/21/341087621.db2.gz FNSXDRHEGQBJFV-UHFFFAOYSA-N -1 3 317.270 3.542 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1C ZINC000544666264 341090629 /nfs/dbraw/zinc/09/06/29/341090629.db2.gz JOFFLAWDLHWASN-LBPRGKRZSA-N -1 3 323.380 3.559 20 0 DHADHM Cc1ccsc1-c1nsc([N-]C(=O)c2scnc2C)n1 ZINC000131571851 341097607 /nfs/dbraw/zinc/09/76/07/341097607.db2.gz AVJKMCUTVBRHOC-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000545246043 341117108 /nfs/dbraw/zinc/11/71/08/341117108.db2.gz WDSHCMBJURJTRC-RBSFLKMASA-N -1 3 317.429 3.828 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC000133083518 341154031 /nfs/dbraw/zinc/15/40/31/341154031.db2.gz SSGZXVUMFHOGRF-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM CC(C)(CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000133116831 341155290 /nfs/dbraw/zinc/15/52/90/341155290.db2.gz SYFPNVAPYOJXTM-UHFFFAOYSA-N -1 3 301.361 3.515 20 0 DHADHM Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c([O-])c1 ZINC000133850833 341194047 /nfs/dbraw/zinc/19/40/47/341194047.db2.gz LABNLJGORLSMIS-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1nc2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2nc1C ZINC000547296488 341203976 /nfs/dbraw/zinc/20/39/76/341203976.db2.gz PCCIIVFHGAWAEE-UHFFFAOYSA-N -1 3 318.336 3.669 20 0 DHADHM CSCCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134113056 341206839 /nfs/dbraw/zinc/20/68/39/341206839.db2.gz ANZRYWRIYDHXDF-UHFFFAOYSA-N -1 3 307.337 3.883 20 0 DHADHM CCCCCOCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134121138 341207040 /nfs/dbraw/zinc/20/70/40/341207040.db2.gz KQNQMIKARRLCNP-UHFFFAOYSA-N -1 3 305.296 3.556 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000134221544 341210022 /nfs/dbraw/zinc/21/00/22/341210022.db2.gz OIMKLYDPRWDPGK-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(=O)c1ccc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000134471496 341215974 /nfs/dbraw/zinc/21/59/74/341215974.db2.gz AWZWAWQHLPAFLE-UHFFFAOYSA-N -1 3 304.396 3.533 20 0 DHADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H](C)C1 ZINC000077321022 341222927 /nfs/dbraw/zinc/22/29/27/341222927.db2.gz GVSZTYFZKOKDOS-VXGBXAGGSA-N -1 3 311.385 3.702 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[O-] ZINC000135243985 341234195 /nfs/dbraw/zinc/23/41/95/341234195.db2.gz LNNJONGDHBBKKN-DZGCQCFKSA-N -1 3 313.372 3.858 20 0 DHADHM Cc1oc2ncnc([N-]C(=O)c3ccc(F)c(F)c3F)c2c1C ZINC000078285599 341239562 /nfs/dbraw/zinc/23/95/62/341239562.db2.gz STNPMOAFKCJFFP-UHFFFAOYSA-N -1 3 321.258 3.509 20 0 DHADHM CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000136052082 341251791 /nfs/dbraw/zinc/25/17/91/341251791.db2.gz UXXLBYIRITUQHJ-UHFFFAOYSA-N -1 3 324.207 3.900 20 0 DHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000564350648 341260597 /nfs/dbraw/zinc/26/05/97/341260597.db2.gz NUBYMPRWZRBLFW-HZPDHXFCSA-N -1 3 323.408 3.549 20 0 DHADHM Fc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1Cl ZINC000549040016 341284476 /nfs/dbraw/zinc/28/44/76/341284476.db2.gz UJSYBYOALHBQEF-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Cc1ccc(NC(=O)c2cc(N(C)C)c3ccccc3n2)c([O-])c1 ZINC000550130813 341310726 /nfs/dbraw/zinc/31/07/26/341310726.db2.gz MBTGTPWVLNHCTR-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1)Nc1cc(F)ccc1[O-] ZINC000550751670 341322536 /nfs/dbraw/zinc/32/25/36/341322536.db2.gz WSMOGUNSQBMIFM-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000552288346 341384388 /nfs/dbraw/zinc/38/43/88/341384388.db2.gz PXYFAEXFXURSTB-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000552422969 341392842 /nfs/dbraw/zinc/39/28/42/341392842.db2.gz LQLWXNLSOUCNRT-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM COc1cc(CC(=O)Nc2c([O-])cccc2Cl)ccc1C ZINC000552432576 341393488 /nfs/dbraw/zinc/39/34/88/341393488.db2.gz REKRKFFAUXNMDT-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM Cc1cccc(C)c1NCC(=O)Nc1c([O-])cccc1Cl ZINC000552435755 341393689 /nfs/dbraw/zinc/39/36/89/341393689.db2.gz YJCXHSVMIPJYGM-UHFFFAOYSA-N -1 3 304.777 3.713 20 0 DHADHM COc1cc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1OC ZINC000088304928 341398799 /nfs/dbraw/zinc/39/87/99/341398799.db2.gz BDOXFNYDHIHKGF-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CC(C)c1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371172 341414885 /nfs/dbraw/zinc/41/48/85/341414885.db2.gz ABAPRLPKAGAULX-UHFFFAOYSA-N -1 3 311.307 3.524 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000093317514 341466211 /nfs/dbraw/zinc/46/62/11/341466211.db2.gz AGHSLAITAJXVBS-NSHDSACASA-N -1 3 322.405 3.569 20 0 DHADHM CC(C)(C)Cc1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000555936570 341491747 /nfs/dbraw/zinc/49/17/47/341491747.db2.gz LQVPGGYZMCSPSX-UHFFFAOYSA-N -1 3 305.403 3.849 20 0 DHADHM CSc1cccc(F)c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000565684953 341534939 /nfs/dbraw/zinc/53/49/39/341534939.db2.gz UPWMJVVQZQNJRW-UHFFFAOYSA-N -1 3 319.357 3.708 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cccnc1OCC(C)C ZINC000154187678 341586265 /nfs/dbraw/zinc/58/62/65/341586265.db2.gz OYEICQYMJAXHDY-UHFFFAOYSA-N -1 3 315.373 3.543 20 0 DHADHM Cc1ccc([O-])c(CNc2ccc(OCC(F)(F)F)cc2)n1 ZINC000269313841 341608428 /nfs/dbraw/zinc/60/84/28/341608428.db2.gz KXLXRRDWKFPAHT-UHFFFAOYSA-N -1 3 312.291 3.649 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000174892460 341832743 /nfs/dbraw/zinc/83/27/43/341832743.db2.gz DPKBMHPKSQOHOS-NEPJUHHUSA-N -1 3 307.271 3.552 20 0 DHADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000176183884 341863341 /nfs/dbraw/zinc/86/33/41/341863341.db2.gz DGUUBBMLNZYWSR-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)Oc1ccccc1 ZINC000576996805 341874411 /nfs/dbraw/zinc/87/44/11/341874411.db2.gz LZAGOUCCDKUIEI-UHFFFAOYSA-N -1 3 319.788 3.633 20 0 DHADHM COc1cccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c1[O-] ZINC000577049784 341880936 /nfs/dbraw/zinc/88/09/36/341880936.db2.gz IWIINVUAXQRYJE-UHFFFAOYSA-N -1 3 322.364 3.530 20 0 DHADHM CC(C)(C)c1ccc(C[N-]c2nnc([C@@H]3CCCO3)o2)s1 ZINC000181802399 519032094 /nfs/dbraw/zinc/03/20/94/519032094.db2.gz GNMAJGCSXBDHBY-NSHDSACASA-N -1 3 307.419 3.892 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2nc(C(F)(F)F)cs2)on1 ZINC000265091171 519832778 /nfs/dbraw/zinc/83/27/78/519832778.db2.gz PHNRYPLZFDGCGF-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM CCCCCc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189456790 520326331 /nfs/dbraw/zinc/32/63/31/520326331.db2.gz AGHOSCABNVZPIC-HNNXBMFYSA-N -1 3 306.406 3.509 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1coc(-c2ccccc2)n1 ZINC000340677745 534633796 /nfs/dbraw/zinc/63/37/96/534633796.db2.gz LUJMJLLSTOZSIR-AWEZNQCLSA-N -1 3 316.401 3.711 20 0 DHADHM CC[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(OC)cc1 ZINC000162932859 522478836 /nfs/dbraw/zinc/47/88/36/522478836.db2.gz XSSRDMMVFLBTCR-NSHDSACASA-N -1 3 319.323 3.579 20 0 DHADHM CCc1cc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)ccc1[O-] ZINC000366000159 523779472 /nfs/dbraw/zinc/77/94/72/523779472.db2.gz JZNGIAFSNNXQJD-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C)CCC3)c2)n1 ZINC000267368396 523829623 /nfs/dbraw/zinc/82/96/23/523829623.db2.gz PGPJIYSNROTBLJ-UHFFFAOYSA-N -1 3 311.385 3.540 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c([O-])c1 ZINC000191326961 523880956 /nfs/dbraw/zinc/88/09/56/523880956.db2.gz WQNZBSOOEAIYKY-LLVKDONJSA-N -1 3 318.442 3.861 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)c([O-])c1 ZINC000364917219 523883843 /nfs/dbraw/zinc/88/38/43/523883843.db2.gz PKFFCDLJRPISAN-OAHLLOKOSA-N -1 3 316.426 3.697 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccccc3)c[n-]c12 ZINC000154809027 524941050 /nfs/dbraw/zinc/94/10/50/524941050.db2.gz GBNBOJQHQHAMFH-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM Cc1ccccc1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188872259 525164167 /nfs/dbraw/zinc/16/41/67/525164167.db2.gz SIIIYADCQUPBDI-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000267774395 525333082 /nfs/dbraw/zinc/33/30/82/525333082.db2.gz WGCPLYTWUYYBPW-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM Cc1c([C@H](C)[N-]c2nc(-c3cccc(Cl)c3)no2)cnn1C ZINC000180399255 525926685 /nfs/dbraw/zinc/92/66/85/525926685.db2.gz QKARZWCDSFFXDK-VIFPVBQESA-N -1 3 317.780 3.605 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2[O-])s1 ZINC000183071129 526039979 /nfs/dbraw/zinc/03/99/79/526039979.db2.gz HTYWLDSJGYNVQV-UHFFFAOYSA-N -1 3 303.383 3.672 20 0 DHADHM C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227824246 526047705 /nfs/dbraw/zinc/04/77/05/526047705.db2.gz QARXBDGXAIOVKP-XPTSAGLGSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@H](c1ccccn1)N(C)Cc1cc([O-])ccc1Br ZINC000182064109 526123111 /nfs/dbraw/zinc/12/31/11/526123111.db2.gz GKCYCZXKOCCNFO-LLVKDONJSA-N -1 3 321.218 3.743 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@@](=O)c1ccc([O-])cc1 ZINC000157085950 526183742 /nfs/dbraw/zinc/18/37/42/526183742.db2.gz RFLTUQADUVZAEP-IPQOISQHSA-N -1 3 313.378 3.916 20 0 DHADHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000338084794 526249020 /nfs/dbraw/zinc/24/90/20/526249020.db2.gz LYOYERAOEZWOAD-ZDUSSCGKSA-N -1 3 314.385 3.625 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4C[C@@H]4c4ccccc4)no3)n[n-]2)c1 ZINC000338074327 526560118 /nfs/dbraw/zinc/56/01/18/526560118.db2.gz QHQFEGOYWOYWFF-CHWSQXEVSA-N -1 3 318.336 3.991 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4C[C@@H]4c4ccccc4)no3)[n-]n2)c1 ZINC000338074327 526560125 /nfs/dbraw/zinc/56/01/25/526560125.db2.gz QHQFEGOYWOYWFF-CHWSQXEVSA-N -1 3 318.336 3.991 20 0 DHADHM Cc1noc([N-]C(=O)COc2cc(C)ccc2C(C)C)c1C ZINC000266108040 526638817 /nfs/dbraw/zinc/63/88/17/526638817.db2.gz ACXFBGLILNIUNP-UHFFFAOYSA-N -1 3 302.374 3.741 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]1c1cccnc1 ZINC000363798870 526730527 /nfs/dbraw/zinc/73/05/27/526730527.db2.gz YIFOPXXWNWPFLO-GOSISDBHSA-N -1 3 322.408 3.643 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCOc2ccc(Cl)cc21 ZINC000364993115 527364568 /nfs/dbraw/zinc/36/45/68/527364568.db2.gz WZDIMCYLNRQJJI-JTQLQIEISA-N -1 3 321.735 3.690 20 0 DHADHM O=C(Nc1nc(-c2ccccc2)co1)c1cc(-c2ccco2)n[n-]1 ZINC000339440327 527501225 /nfs/dbraw/zinc/50/12/25/527501225.db2.gz WQGVYKWVFLLFSI-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1nc(-c2ccccc2)co1)c1cc(-c2ccco2)[n-]n1 ZINC000339440327 527501229 /nfs/dbraw/zinc/50/12/29/527501229.db2.gz WQGVYKWVFLLFSI-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM COc1cc(C)cc(-c2nc([C@H](C)c3cccs3)no2)c1[O-] ZINC000273790019 536627426 /nfs/dbraw/zinc/62/74/26/536627426.db2.gz FMQLNDXQXPIOHI-SNVBAGLBSA-N -1 3 316.382 3.973 20 0 DHADHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737366593 598979839 /nfs/dbraw/zinc/97/98/39/598979839.db2.gz UIADROCMSRVXGJ-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737366593 598979840 /nfs/dbraw/zinc/97/98/40/598979840.db2.gz UIADROCMSRVXGJ-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736194166 599063783 /nfs/dbraw/zinc/06/37/83/599063783.db2.gz WVBOFSURGHCCIO-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736194166 599063786 /nfs/dbraw/zinc/06/37/86/599063786.db2.gz WVBOFSURGHCCIO-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM Cc1cccc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000737387965 599066239 /nfs/dbraw/zinc/06/62/39/599066239.db2.gz IXFLEUDDSPEHMX-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000737387965 599066242 /nfs/dbraw/zinc/06/62/42/599066242.db2.gz IXFLEUDDSPEHMX-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822239834 607308343 /nfs/dbraw/zinc/30/83/43/607308343.db2.gz GRUJRWZZVDWDIP-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822239834 607308344 /nfs/dbraw/zinc/30/83/44/607308344.db2.gz GRUJRWZZVDWDIP-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@H](Sc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192974 599285238 /nfs/dbraw/zinc/28/52/38/599285238.db2.gz ONXQRDMHPSNFJI-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192974 599285239 /nfs/dbraw/zinc/28/52/39/599285239.db2.gz ONXQRDMHPSNFJI-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM CCc1nc2c(s1)[C@@H](NCc1cccc(C(=O)[O-])c1)CCC2 ZINC000820492795 598192463 /nfs/dbraw/zinc/19/24/63/598192463.db2.gz RBADCJSAQUUAQH-ZDUSSCGKSA-N -1 3 316.426 3.571 20 0 DHADHM C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736193902 598242699 /nfs/dbraw/zinc/24/26/99/598242699.db2.gz UJNZIZXPTXEGRP-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM CCC[C@H](C)CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736421701 598515209 /nfs/dbraw/zinc/51/52/09/598515209.db2.gz CDNKHVHYWYBJTD-VIFPVBQESA-N -1 3 321.450 3.564 20 0 DHADHM CCC[C@H](C)CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736421701 598515211 /nfs/dbraw/zinc/51/52/11/598515211.db2.gz CDNKHVHYWYBJTD-VIFPVBQESA-N -1 3 321.450 3.564 20 0 DHADHM c1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)C2CCCC2)cc1 ZINC000738428607 598522030 /nfs/dbraw/zinc/52/20/30/598522030.db2.gz PKRUYCMIXIOTFL-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)C2CCCC2)cc1 ZINC000738428607 598522031 /nfs/dbraw/zinc/52/20/31/598522031.db2.gz PKRUYCMIXIOTFL-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2ccccc2Cl)c1 ZINC000737570999 598629588 /nfs/dbraw/zinc/62/95/88/598629588.db2.gz PGORWSGVQQGSCZ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2ccccc2Cl)c1 ZINC000737570999 598629591 /nfs/dbraw/zinc/62/95/91/598629591.db2.gz PGORWSGVQQGSCZ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cc(N[C@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737566582 598637538 /nfs/dbraw/zinc/63/75/38/598637538.db2.gz VMPUBJXGCFIIFQ-HNNXBMFYSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1cc(N[C@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737566582 598637539 /nfs/dbraw/zinc/63/75/39/598637539.db2.gz VMPUBJXGCFIIFQ-HNNXBMFYSA-N -1 3 311.776 3.620 20 0 DHADHM C[C@@H](Cc1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066593 598647862 /nfs/dbraw/zinc/64/78/62/598647862.db2.gz PCZCYIQGBLAQJB-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066593 598647864 /nfs/dbraw/zinc/64/78/64/598647864.db2.gz PCZCYIQGBLAQJB-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM Cc1ccc(C)c(OCc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000737326921 598674214 /nfs/dbraw/zinc/67/42/14/598674214.db2.gz USRCMRQUSOVOLH-UHFFFAOYSA-N -1 3 312.348 3.510 20 0 DHADHM Cc1ccc(C)c(OCc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000737326921 598674215 /nfs/dbraw/zinc/67/42/15/598674215.db2.gz USRCMRQUSOVOLH-UHFFFAOYSA-N -1 3 312.348 3.510 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737421828 598774401 /nfs/dbraw/zinc/77/44/01/598774401.db2.gz MMQQAUXTHHAESJ-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737421828 598774402 /nfs/dbraw/zinc/77/44/02/598774402.db2.gz MMQQAUXTHHAESJ-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM C[C@H](Nc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456362 599368802 /nfs/dbraw/zinc/36/88/02/599368802.db2.gz UABRTDAOEPXYON-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456362 599368804 /nfs/dbraw/zinc/36/88/04/599368804.db2.gz UABRTDAOEPXYON-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](SCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736192053 599522129 /nfs/dbraw/zinc/52/21/29/599522129.db2.gz KPDNSIIMAIOMOK-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM C[C@H](SCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736192053 599522132 /nfs/dbraw/zinc/52/21/32/599522132.db2.gz KPDNSIIMAIOMOK-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM c1ccc2c(c1)cccc2CNc1cccc(-c2nnn[n-]2)c1 ZINC000115659837 599568798 /nfs/dbraw/zinc/56/87/98/599568798.db2.gz AKSGRQQLHLYNGM-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2c(c1)cccc2CNc1cccc(-c2nn[n-]n2)c1 ZINC000115659837 599568799 /nfs/dbraw/zinc/56/87/99/599568799.db2.gz AKSGRQQLHLYNGM-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM Cc1ccc([C@@H]2CCCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000566357970 600218033 /nfs/dbraw/zinc/21/80/33/600218033.db2.gz BMQDOTUKLFQEKJ-INIZCTEOSA-N -1 3 315.369 3.502 20 0 DHADHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737194674 600419426 /nfs/dbraw/zinc/41/94/26/600419426.db2.gz GWMRGOVJKVOOCY-SJCJKPOMSA-N -1 3 317.360 3.701 20 0 DHADHM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000324446936 600420464 /nfs/dbraw/zinc/42/04/64/600420464.db2.gz UPCVYLLKARJJHG-IBGZPJMESA-N -1 3 321.376 3.764 20 0 DHADHM CCOc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737211335 600430005 /nfs/dbraw/zinc/43/00/05/600430005.db2.gz RWBQHMLUNHFXEO-PXAZEXFGSA-N -1 3 317.360 3.701 20 0 DHADHM Cc1ccc([C@H]2CCCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000565720117 600442369 /nfs/dbraw/zinc/44/23/69/600442369.db2.gz DQVJDHMXTIAJCP-CQSZACIVSA-N -1 3 303.358 3.997 20 0 DHADHM O=C([O-])c1occc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000563630099 600629783 /nfs/dbraw/zinc/62/97/83/600629783.db2.gz JUPZPFIKJLATDB-UHFFFAOYSA-N -1 3 303.333 3.529 20 0 DHADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832921071 600744305 /nfs/dbraw/zinc/74/43/05/600744305.db2.gz KTTHGCHUIRTWGA-CXAGYDPISA-N -1 3 301.361 3.919 20 0 DHADHM Cc1oc(CN(C)CCCCOc2ccccc2)cc1C(=O)[O-] ZINC000738966319 600948894 /nfs/dbraw/zinc/94/88/94/600948894.db2.gz ABTAXDDREXLQNC-UHFFFAOYSA-N -1 3 317.385 3.577 20 0 DHADHM CC(C)[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826717624 600983404 /nfs/dbraw/zinc/98/34/04/600983404.db2.gz UECYPTSDURBGGW-IRXDYDNUSA-N -1 3 301.361 3.938 20 0 DHADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000519613063 601118089 /nfs/dbraw/zinc/11/80/89/601118089.db2.gz WXFRCSPLMUQRIB-ZBEGNZNMSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774560 601513718 /nfs/dbraw/zinc/51/37/18/601513718.db2.gz SCMGYFPVCKUMRU-YWVKMMECSA-N -1 3 302.201 3.707 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(c2nccs2)CC1 ZINC000833032680 601626009 /nfs/dbraw/zinc/62/60/09/601626009.db2.gz LRWYQZUYYUVIEI-UHFFFAOYSA-N -1 3 322.455 3.591 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1F ZINC000833313450 601633441 /nfs/dbraw/zinc/63/34/41/601633441.db2.gz VMGZKTFYVQEKDO-CYBMUJFWSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([O-])CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000385729791 601843176 /nfs/dbraw/zinc/84/31/76/601843176.db2.gz BKGAUJKKKRVEFQ-UHFFFAOYSA-N -1 3 315.335 3.782 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251101299 601919918 /nfs/dbraw/zinc/91/99/18/601919918.db2.gz RIMCFVGILURIRE-KGLIPLIRSA-N -1 3 313.850 3.683 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3F)CC2)s1 ZINC000833313557 601958292 /nfs/dbraw/zinc/95/82/92/601958292.db2.gz YTJCICSNUDASBV-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652440623 601970657 /nfs/dbraw/zinc/97/06/57/601970657.db2.gz LDQJOMDJDUEKTP-TXEJJXNPSA-N -1 3 316.426 3.881 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2ccc(C)cc2)o1 ZINC000828804515 602210586 /nfs/dbraw/zinc/21/05/86/602210586.db2.gz PRJSKHOJFDHSGJ-UHFFFAOYSA-N -1 3 316.401 3.773 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2cccc(F)c2)o1 ZINC000828804417 602210645 /nfs/dbraw/zinc/21/06/45/602210645.db2.gz KYHDJLGAKVWKDA-UHFFFAOYSA-N -1 3 320.364 3.604 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000826105341 604628569 /nfs/dbraw/zinc/62/85/69/604628569.db2.gz BHICMQOXLIXGED-INIZCTEOSA-N -1 3 319.351 3.907 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccccc2C(=O)[O-])s1 ZINC000573690432 604633931 /nfs/dbraw/zinc/63/39/31/604633931.db2.gz XPZXVGBHTIBSQK-NSHDSACASA-N -1 3 304.415 3.651 20 0 DHADHM O=C([O-])CCCN(Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000833226825 604786632 /nfs/dbraw/zinc/78/66/32/604786632.db2.gz KMMKDXWHAZBEAM-UHFFFAOYSA-N -1 3 318.804 3.602 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc2ccccc2c1 ZINC000827717726 604985250 /nfs/dbraw/zinc/98/52/50/604985250.db2.gz LHZSIIGGCKIGGO-SCLBCKFNSA-N -1 3 306.365 3.711 20 0 DHADHM CC(C)Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826913433 604985528 /nfs/dbraw/zinc/98/55/28/604985528.db2.gz WBOJQFWOTKLXJQ-KSSFIOAISA-N -1 3 312.413 3.757 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000827717721 604985674 /nfs/dbraw/zinc/98/56/74/604985674.db2.gz LGFGDLJFTMIRFX-YGRLFVJLSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000833546273 605047135 /nfs/dbraw/zinc/04/71/35/605047135.db2.gz FBSQIRWMOGOTIK-DZGCQCFKSA-N -1 3 314.385 3.615 20 0 DHADHM CCCN(CCC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000570287206 605203432 /nfs/dbraw/zinc/20/34/32/605203432.db2.gz XBCZTEVWJHJXQS-UHFFFAOYSA-N -1 3 302.374 3.662 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000135051892 605551636 /nfs/dbraw/zinc/55/16/36/605551636.db2.gz AJGKIHPTLIUIHD-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1 ZINC000834261763 605566061 /nfs/dbraw/zinc/56/60/61/605566061.db2.gz FGVMHJMOILGJCP-INIZCTEOSA-N -1 3 300.333 3.693 20 0 DHADHM Cc1c2ccccc2nc(-c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000822015479 606019958 /nfs/dbraw/zinc/01/99/58/606019958.db2.gz KIMDAHWFGYHRTA-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1c2ccccc2nc(-c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000822015479 606019960 /nfs/dbraw/zinc/01/99/60/606019960.db2.gz KIMDAHWFGYHRTA-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM CC(C)COc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820102742 606448051 /nfs/dbraw/zinc/44/80/51/606448051.db2.gz IWTXPXLGFDCMIQ-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM CC(C)COc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000820102742 606448053 /nfs/dbraw/zinc/44/80/53/606448053.db2.gz IWTXPXLGFDCMIQ-UHFFFAOYSA-N -1 3 323.400 3.514 20 0 DHADHM Cc1ccccc1[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC000822351972 606643648 /nfs/dbraw/zinc/64/36/48/606643648.db2.gz SLBMZVPFXPHRJU-HNNXBMFYSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC000822351972 606643649 /nfs/dbraw/zinc/64/36/49/606643649.db2.gz SLBMZVPFXPHRJU-HNNXBMFYSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822366335 607039752 /nfs/dbraw/zinc/03/97/52/607039752.db2.gz ICAGNFLSYNJYSK-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccccc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822366335 607039754 /nfs/dbraw/zinc/03/97/54/607039754.db2.gz ICAGNFLSYNJYSK-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821455376 607234874 /nfs/dbraw/zinc/23/48/74/607234874.db2.gz JWHNTEIIEWLKRZ-OLZOCXBDSA-N -1 3 323.853 3.606 20 0 DHADHM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821455376 607234875 /nfs/dbraw/zinc/23/48/75/607234875.db2.gz JWHNTEIIEWLKRZ-OLZOCXBDSA-N -1 3 323.853 3.606 20 0 DHADHM CC(C)C[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820055909 607242136 /nfs/dbraw/zinc/24/21/36/607242136.db2.gz LNKPOHLRIPIHGU-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)C[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820055909 607242137 /nfs/dbraw/zinc/24/21/37/607242137.db2.gz LNKPOHLRIPIHGU-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM Clc1ccc(Cl)c(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826352380 607808141 /nfs/dbraw/zinc/80/81/41/607808141.db2.gz YPLFLDOQRGTEHT-DAFODLJHSA-N -1 3 318.167 3.739 20 0 DHADHM Clc1ccc(Cl)c(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826352380 607808142 /nfs/dbraw/zinc/80/81/42/607808142.db2.gz YPLFLDOQRGTEHT-DAFODLJHSA-N -1 3 318.167 3.739 20 0 DHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccccc1Cl ZINC000825783129 607975822 /nfs/dbraw/zinc/97/58/22/607975822.db2.gz ZHNVSHLCTGURLD-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccccc1Cl ZINC000825783129 607975823 /nfs/dbraw/zinc/97/58/23/607975823.db2.gz ZHNVSHLCTGURLD-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317971 608154099 /nfs/dbraw/zinc/15/40/99/608154099.db2.gz RBHMBENRQNFWFW-WDEREUQCSA-N -1 3 315.402 3.719 20 0 DHADHM Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317971 608154100 /nfs/dbraw/zinc/15/41/00/608154100.db2.gz RBHMBENRQNFWFW-WDEREUQCSA-N -1 3 315.402 3.719 20 0 DHADHM CCCC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)CCC ZINC000825220624 608161884 /nfs/dbraw/zinc/16/18/84/608161884.db2.gz VPYVXOZDESXCFJ-UHFFFAOYSA-N -1 3 313.405 3.640 20 0 DHADHM CCCC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)CCC ZINC000825220624 608161886 /nfs/dbraw/zinc/16/18/86/608161886.db2.gz VPYVXOZDESXCFJ-UHFFFAOYSA-N -1 3 313.405 3.640 20 0 DHADHM CCC=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825221131 608346692 /nfs/dbraw/zinc/34/66/92/608346692.db2.gz YDLKNYSNBXIQIZ-VQHVLOKHSA-N -1 3 319.434 3.521 20 0 DHADHM CCC=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825221131 608346694 /nfs/dbraw/zinc/34/66/94/608346694.db2.gz YDLKNYSNBXIQIZ-VQHVLOKHSA-N -1 3 319.434 3.521 20 0 DHADHM CC/C=C(\C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825221131 608346696 /nfs/dbraw/zinc/34/66/96/608346696.db2.gz YDLKNYSNBXIQIZ-VQHVLOKHSA-N -1 3 319.434 3.521 20 0 DHADHM CCCc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825348398 609157659 /nfs/dbraw/zinc/15/76/59/609157659.db2.gz ISSGRWOJGUGYKU-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825348398 609157660 /nfs/dbraw/zinc/15/76/60/609157660.db2.gz ISSGRWOJGUGYKU-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM COc1c(C)ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826167175 609157932 /nfs/dbraw/zinc/15/79/32/609157932.db2.gz SHTFNHPSDDFNNA-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM COc1c(C)ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826167175 609157934 /nfs/dbraw/zinc/15/79/34/609157934.db2.gz SHTFNHPSDDFNNA-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000825643060 609160063 /nfs/dbraw/zinc/16/00/63/609160063.db2.gz HDRCAYRXMIFONB-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000825643060 609160064 /nfs/dbraw/zinc/16/00/64/609160064.db2.gz HDRCAYRXMIFONB-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825642902 609160206 /nfs/dbraw/zinc/16/02/06/609160206.db2.gz DZDIWTQSOCWDFE-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825642902 609160207 /nfs/dbraw/zinc/16/02/07/609160207.db2.gz DZDIWTQSOCWDFE-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CC(C)Oc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824333439 609236569 /nfs/dbraw/zinc/23/65/69/609236569.db2.gz JUAIOHXSWGBPGZ-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824333439 609236571 /nfs/dbraw/zinc/23/65/71/609236571.db2.gz JUAIOHXSWGBPGZ-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM CCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825717609 609249188 /nfs/dbraw/zinc/24/91/88/609249188.db2.gz NRHSQDDFWQJUTJ-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825717609 609249190 /nfs/dbraw/zinc/24/91/90/609249190.db2.gz NRHSQDDFWQJUTJ-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826289830 609255420 /nfs/dbraw/zinc/25/54/20/609255420.db2.gz OSGSZUDBFVDXEZ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826289830 609255422 /nfs/dbraw/zinc/25/54/22/609255422.db2.gz OSGSZUDBFVDXEZ-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(C)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826285400 609272689 /nfs/dbraw/zinc/27/26/89/609272689.db2.gz YZDUQCAZYLZXNG-KRWDZBQOSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1ccc(C)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826285400 609272690 /nfs/dbraw/zinc/27/26/90/609272690.db2.gz YZDUQCAZYLZXNG-KRWDZBQOSA-N -1 3 319.412 3.973 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825717408 609346075 /nfs/dbraw/zinc/34/60/75/609346075.db2.gz JXFWOTJOKXIEAA-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825717408 609346077 /nfs/dbraw/zinc/34/60/77/609346077.db2.gz JXFWOTJOKXIEAA-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737395923 945056354 /nfs/dbraw/zinc/05/63/54/945056354.db2.gz CLMCMJHWWVHFAI-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737395923 945056365 /nfs/dbraw/zinc/05/63/65/945056365.db2.gz CLMCMJHWWVHFAI-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM c1ccc2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000823751638 946476952 /nfs/dbraw/zinc/47/69/52/946476952.db2.gz NVSDYKRDIVVXMU-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000823751638 946476953 /nfs/dbraw/zinc/47/69/53/946476953.db2.gz NVSDYKRDIVVXMU-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2c(c1)cccc2NCc1cccc(-c2nnn[n-]2)c1 ZINC000823751629 946477243 /nfs/dbraw/zinc/47/72/43/946477243.db2.gz NNUNTOHHBWSHLH-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2c(c1)cccc2NCc1cccc(-c2nn[n-]n2)c1 ZINC000823751629 946477253 /nfs/dbraw/zinc/47/72/53/946477253.db2.gz NNUNTOHHBWSHLH-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(F)(F)F ZINC000824756482 946927297 /nfs/dbraw/zinc/92/72/97/946927297.db2.gz OFGWOTRMHWZQSK-RXMQYKEDSA-N -1 3 308.716 3.563 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824756482 946927299 /nfs/dbraw/zinc/92/72/99/946927299.db2.gz OFGWOTRMHWZQSK-RXMQYKEDSA-N -1 3 308.716 3.563 20 0 DHADHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)nc2ccccc12 ZINC000826242696 947720958 /nfs/dbraw/zinc/72/09/58/947720958.db2.gz BCDZVSIBDVIRGC-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)nc2ccccc12 ZINC000826242696 947720968 /nfs/dbraw/zinc/72/09/68/947720968.db2.gz BCDZVSIBDVIRGC-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM c1cc(CCCSCc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826516311 948441846 /nfs/dbraw/zinc/44/18/46/948441846.db2.gz GIGJJWFPAAZAGG-UHFFFAOYSA-N -1 3 316.455 3.794 20 0 DHADHM c1cc(CCCSCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826516311 948441848 /nfs/dbraw/zinc/44/18/48/948441848.db2.gz GIGJJWFPAAZAGG-UHFFFAOYSA-N -1 3 316.455 3.794 20 0 DHADHM CC[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cn1 ZINC001589568413 948887662 /nfs/dbraw/zinc/88/76/62/948887662.db2.gz LUBGBSZDOFEZGW-VYDXJSESSA-N -1 3 314.360 3.575 20 0 DHADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1 ZINC000043594132 948892687 /nfs/dbraw/zinc/89/26/87/948892687.db2.gz UUKIOOAPFKUZCI-INIZCTEOSA-N -1 3 301.773 3.524 20 0 DHADHM C[C@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001576166482 949578250 /nfs/dbraw/zinc/57/82/50/949578250.db2.gz MKMXPDXDLDSNNX-AAEUAGOBSA-N -1 3 314.437 3.550 20 0 DHADHM C[C@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001576166482 949578265 /nfs/dbraw/zinc/57/82/65/949578265.db2.gz MKMXPDXDLDSNNX-AAEUAGOBSA-N -1 3 314.437 3.550 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC001594843481 954104196 /nfs/dbraw/zinc/10/41/96/954104196.db2.gz LQGIEJQGLOLNCW-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM CC[C@@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000903704378 956896156 /nfs/dbraw/zinc/89/61/56/956896156.db2.gz HBJMMEJTWZPBIJ-JTQLQIEISA-N -1 3 324.833 3.664 20 0 DHADHM CC[C@@](NCc1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000063151716 957637431 /nfs/dbraw/zinc/63/74/31/957637431.db2.gz VCPHGJQUWBDSDR-HNNXBMFYSA-N -1 3 309.818 3.881 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC001594396724 958772441 /nfs/dbraw/zinc/77/24/41/958772441.db2.gz AXKMPMSHZYYBMD-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@H](CCN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000315264758 963871518 /nfs/dbraw/zinc/87/15/18/963871518.db2.gz CTFYCPGAXGXCIS-NEPJUHHUSA-N -1 3 304.415 3.686 20 0 DHADHM O=C(Cc1cccc2cccnc21)Nc1ccc(Cl)cc1[O-] ZINC000340329037 1013497626 /nfs/dbraw/zinc/49/76/26/1013497626.db2.gz OOOWLYXCXQCHLK-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C)c(C)c1C ZINC000519840548 1013612335 /nfs/dbraw/zinc/61/23/35/1013612335.db2.gz IXAKZILHWMGMTK-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1[O-] ZINC000331348931 1013875999 /nfs/dbraw/zinc/87/59/99/1013875999.db2.gz NCWPQIPPGDXAQF-SUMWQHHRSA-N -1 3 323.392 3.613 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903689505 969587893 /nfs/dbraw/zinc/58/78/93/969587893.db2.gz IVOAGGCEJSGTSL-RKDXNWHRSA-N -1 3 307.337 3.609 20 0 DHADHM CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000580014167 1013889080 /nfs/dbraw/zinc/88/90/80/1013889080.db2.gz YNTPRIYNWVTZSB-AWEZNQCLSA-N -1 3 322.424 3.889 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291202563 1013894505 /nfs/dbraw/zinc/89/45/05/1013894505.db2.gz UWHFFGLSFQEPLZ-GOSISDBHSA-N -1 3 307.393 3.950 20 0 DHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCCC1)c1ccco1 ZINC000188756835 1013894787 /nfs/dbraw/zinc/89/47/87/1013894787.db2.gz VEYCDJAQARXDAH-INIZCTEOSA-N -1 3 323.389 3.629 20 0 DHADHM CC(C)c1ncsc1[N-]C(=O)c1ncoc1C(F)(F)F ZINC000854847988 1022535164 /nfs/dbraw/zinc/53/51/64/1022535164.db2.gz SWPUMRNVBXGGDQ-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1F ZINC000539400158 1013996516 /nfs/dbraw/zinc/99/65/16/1013996516.db2.gz ACVDQBUHVVZBOJ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000319204740 970514186 /nfs/dbraw/zinc/51/41/86/970514186.db2.gz FJBRTDCSUYZNDK-RDTXWAMCSA-N -1 3 301.430 3.887 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210854799 1014072733 /nfs/dbraw/zinc/07/27/33/1014072733.db2.gz MCHFJKVGOBSGCB-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc(OC2CC2)c1 ZINC001210859582 1014074760 /nfs/dbraw/zinc/07/47/60/1014074760.db2.gz YVZYGVLCGOFRFS-UHFFFAOYSA-N -1 3 321.174 3.835 20 0 DHADHM COc1ccc(C)cc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417590495 973964192 /nfs/dbraw/zinc/96/41/92/973964192.db2.gz BSLSXAMEOIFCEX-QGZVFWFLSA-N -1 3 313.397 3.699 20 0 DHADHM C[C@@H](CCNC(=O)c1c[n-]c2ccccc2c1=O)CC(C)(C)C ZINC000189479904 1014191014 /nfs/dbraw/zinc/19/10/14/1014191014.db2.gz VROUZAUQEMWPKK-ZDUSSCGKSA-N -1 3 314.429 3.720 20 0 DHADHM C[C@]1(C(=O)[O-])CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC000563277721 974524773 /nfs/dbraw/zinc/52/47/73/974524773.db2.gz KJROTMKTJRYMFV-HNNXBMFYSA-N -1 3 316.228 3.723 20 0 DHADHM O=C([O-])c1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)nc1 ZINC000568060917 974657111 /nfs/dbraw/zinc/65/71/11/974657111.db2.gz SYWXLYQNFVOADC-LJQANCHMSA-N -1 3 322.408 3.822 20 0 DHADHM C[C@@H]1CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C(C)(C)C1 ZINC000568061810 974657188 /nfs/dbraw/zinc/65/71/88/974657188.db2.gz RXUBLNZIWUTZKD-LBPRGKRZSA-N -1 3 314.385 3.660 20 0 DHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000568067195 974659033 /nfs/dbraw/zinc/65/90/33/974659033.db2.gz OQCOCKQTWMQILE-QWHCGFSZSA-N -1 3 316.426 3.528 20 0 DHADHM Cc1sc(Cl)nc1C(=O)Nc1c([O-])cccc1Cl ZINC000816769118 1028995885 /nfs/dbraw/zinc/99/58/85/1028995885.db2.gz UUZCWMMPFCELQU-UHFFFAOYSA-N -1 3 303.170 3.716 20 0 DHADHM CCOc1ccc([C@@H]2CCCN2Cc2ccoc2C(=O)[O-])cc1 ZINC000577226788 974832288 /nfs/dbraw/zinc/83/22/88/974832288.db2.gz QTCJJKOTTVQTDW-INIZCTEOSA-N -1 3 315.369 3.714 20 0 DHADHM CCc1nc(O[C@@H](C)c2ccccc2Br)cc(=O)[n-]1 ZINC001226476437 1014249264 /nfs/dbraw/zinc/24/92/64/1014249264.db2.gz RULXJVYFOMRNCL-VIFPVBQESA-N -1 3 323.190 3.647 20 0 DHADHM C[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652366934 975515568 /nfs/dbraw/zinc/51/55/68/975515568.db2.gz ZTPMGZUKZKTFRZ-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM CC1(C)[C@@H]2CN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000652426710 975529021 /nfs/dbraw/zinc/52/90/21/975529021.db2.gz HEEJRYVXIIPBPF-LOWVWBTDSA-N -1 3 314.212 3.707 20 0 DHADHM O=C([O-])c1ccc(CN(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000652418529 975529074 /nfs/dbraw/zinc/52/90/74/975529074.db2.gz YMPKXHANPMLHOG-UHFFFAOYSA-N -1 3 303.333 3.529 20 0 DHADHM Cc1oc(CN2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000652430181 975530797 /nfs/dbraw/zinc/53/07/97/975530797.db2.gz RHDHMGSCRHAAJD-UHFFFAOYSA-N -1 3 305.399 3.727 20 0 DHADHM Cc1ccc(CCCN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000652470122 975542627 /nfs/dbraw/zinc/54/26/27/975542627.db2.gz OGEQFMQYXIVAJG-LJQANCHMSA-N -1 3 309.409 3.612 20 0 DHADHM Cc1cccc(OCCCCC(=O)[N-]OCc2ccccc2)c1 ZINC000057428649 1014296579 /nfs/dbraw/zinc/29/65/79/1014296579.db2.gz JYTFRFQXMSWJML-UHFFFAOYSA-N -1 3 313.397 3.792 20 0 DHADHM COc1cccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000669476241 976006111 /nfs/dbraw/zinc/00/61/11/976006111.db2.gz FBEJSOHXJNETRV-HNNXBMFYSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)c1cccc(CN(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001591987016 976611031 /nfs/dbraw/zinc/61/10/31/976611031.db2.gz KWLJPLGEBKJAJF-UHFFFAOYSA-N -1 3 303.324 3.649 20 0 DHADHM CCc1cccc(C(=O)N2CCc3cccc(Cl)c3C2)c1[O-] ZINC001161310912 1014378448 /nfs/dbraw/zinc/37/84/48/1014378448.db2.gz ZGEFOHABDIQYLH-UHFFFAOYSA-N -1 3 315.800 3.807 20 0 DHADHM [O-]c1cccnc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000581038743 1014522835 /nfs/dbraw/zinc/52/28/35/1014522835.db2.gz WOGNOOWMFFDHTR-UHFFFAOYSA-N -1 3 309.196 3.873 20 0 DHADHM C[C@@H](CNC(C)(C)c1nocc1C(=O)[O-])c1cccc(Cl)c1 ZINC001592705506 979170108 /nfs/dbraw/zinc/17/01/08/979170108.db2.gz GFVBUJXVKZGZCO-JTQLQIEISA-N -1 3 322.792 3.655 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1scnc1C1CCCC1 ZINC000520897863 1014613788 /nfs/dbraw/zinc/61/37/88/1014613788.db2.gz OECJBUPCNWELFN-UHFFFAOYSA-N -1 3 320.443 3.782 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H](C)CC(C)(C)C)CC2 ZINC000872167606 980067320 /nfs/dbraw/zinc/06/73/20/980067320.db2.gz LZBYOPRSGATXKZ-CYBMUJFWSA-N -1 3 319.445 3.824 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OCc1cccnc1 ZINC000160815775 1014630838 /nfs/dbraw/zinc/63/08/38/1014630838.db2.gz IFSSHZUBQZQLRT-UHFFFAOYSA-N -1 3 322.364 3.522 20 0 DHADHM CC[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC001595276845 980302670 /nfs/dbraw/zinc/30/26/70/980302670.db2.gz MNPMECVPYOHKSV-CABCVRRESA-N -1 3 304.777 3.602 20 0 DHADHM CC[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595281187 980331700 /nfs/dbraw/zinc/33/17/00/980331700.db2.gz JWXFEAFNBUAIFY-PXAZEXFGSA-N -1 3 314.385 3.590 20 0 DHADHM CC[C@@H](N[C@H](CC(C)C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001595281596 980336487 /nfs/dbraw/zinc/33/64/87/980336487.db2.gz RKHAIVYHTRYNFS-RKDXNWHRSA-N -1 3 324.368 3.702 20 0 DHADHM CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595284583 980359271 /nfs/dbraw/zinc/35/92/71/980359271.db2.gz YUTPYRGGRIFYGH-ROUUACIJSA-N -1 3 311.381 3.819 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1CCC[C@H](C)C1)CC2 ZINC000901552779 980378121 /nfs/dbraw/zinc/37/81/21/980378121.db2.gz WDTJYKOGZMIIGD-UONOGXRCSA-N -1 3 317.429 3.578 20 0 DHADHM CC(C)C[C@H](C)CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901587890 980393197 /nfs/dbraw/zinc/39/31/97/980393197.db2.gz NVKSKOGMZTYUBK-ZDUSSCGKSA-N -1 3 314.429 3.906 20 0 DHADHM CC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595304635 980439865 /nfs/dbraw/zinc/43/98/65/980439865.db2.gz HEDBYGSBAOESAO-OAHLLOKOSA-N -1 3 304.777 3.674 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC000901908117 980621575 /nfs/dbraw/zinc/62/15/75/980621575.db2.gz OJHICPDWDQOPMF-UTUOFQBUSA-N -1 3 304.415 3.684 20 0 DHADHM C[C@H](CCCC(F)(F)F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908335 980621611 /nfs/dbraw/zinc/62/16/11/980621611.db2.gz SYXOCPMQELQZAZ-SFYZADRCSA-N -1 3 310.341 3.613 20 0 DHADHM C[C@@H](NC1CC(c2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC000901910333 980622334 /nfs/dbraw/zinc/62/23/34/980622334.db2.gz HEXDVEKBAFDNJT-CBZQXFMTSA-N -1 3 320.389 3.577 20 0 DHADHM Cc1ccc(CC[C@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911701 980623504 /nfs/dbraw/zinc/62/35/04/980623504.db2.gz MGJUGXFBGLHACY-STQMWFEESA-N -1 3 318.442 3.822 20 0 DHADHM CC(C)(CCN(Cc1ccco1)Cc1cccs1)C(=O)[O-] ZINC000902062995 980718150 /nfs/dbraw/zinc/71/81/50/980718150.db2.gz QRBGDHBWSATJBS-UHFFFAOYSA-N -1 3 307.415 3.844 20 0 DHADHM Cc1ccc(SC[C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000902333062 980837031 /nfs/dbraw/zinc/83/70/31/980837031.db2.gz QGWOLFDWUXXLJJ-LBPRGKRZSA-N -1 3 305.399 3.557 20 0 DHADHM O=C([O-])c1ccccc1-c1ccc(CN2CC(CC3CC3)C2)o1 ZINC000902463233 980900020 /nfs/dbraw/zinc/90/00/20/980900020.db2.gz NFIJOLSKHBOCNZ-UHFFFAOYSA-N -1 3 311.381 3.877 20 0 DHADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902518579 980917205 /nfs/dbraw/zinc/91/72/05/980917205.db2.gz NUTHQIVSLXMDPH-UHFFFAOYSA-N -1 3 312.207 3.522 20 0 DHADHM CC[C@H](CC(=O)OCc1noc(-c2ccccc2[O-])n1)C(C)C ZINC000783505250 1014705349 /nfs/dbraw/zinc/70/53/49/1014705349.db2.gz YPNFLSJPMASHAT-GFCCVEGCSA-N -1 3 318.373 3.558 20 0 DHADHM CC[C@H]1Cc2ccccc2CN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595499873 981268065 /nfs/dbraw/zinc/26/80/65/981268065.db2.gz QMJGKICPWMWTNC-SCOAYWHSSA-N -1 3 311.381 3.714 20 0 DHADHM Cc1cccc2c(CCC(=O)Nc3cccc([O-])c3F)c[nH]c21 ZINC000128866732 1014745251 /nfs/dbraw/zinc/74/52/51/1014745251.db2.gz UBQCRNNVEUTDJK-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM CCC[C@@H]1[C@H](C)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595619769 981681479 /nfs/dbraw/zinc/68/14/79/981681479.db2.gz NXUNESDZHKALGC-MLGOLLRUSA-N -1 3 315.417 3.662 20 0 DHADHM CC[C@@](C)(NCc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001594852422 982094594 /nfs/dbraw/zinc/09/45/94/982094594.db2.gz KZXGZRWIGHOQTD-GOSISDBHSA-N -1 3 301.361 3.939 20 0 DHADHM CC[C@](C)(NCc1csc(Nc2ccccc2C)n1)C(=O)[O-] ZINC001594853409 982112481 /nfs/dbraw/zinc/11/24/81/982112481.db2.gz VDTNBABJRVVJAH-INIZCTEOSA-N -1 3 319.430 3.538 20 0 DHADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1ncccc1[O-] ZINC000443114930 1014816906 /nfs/dbraw/zinc/81/69/06/1014816906.db2.gz HFWBURAPHMRJID-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM CCCCc1nc(CN[C@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001595797934 982609102 /nfs/dbraw/zinc/60/91/02/982609102.db2.gz ZAZJXVWUUUQCEV-HNNXBMFYSA-N -1 3 310.463 3.609 20 0 DHADHM O=C([O-])[C@@H](c1ccccc1Cl)N1CCCC(F)(F)CC1 ZINC001118895571 982964444 /nfs/dbraw/zinc/96/44/44/982964444.db2.gz VBUFJTPLJNNHBS-GFCCVEGCSA-N -1 3 303.736 3.587 20 0 DHADHM CCCc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC001596062626 983372094 /nfs/dbraw/zinc/37/20/94/983372094.db2.gz HOVCYDGQIGWREF-KRWDZBQOSA-N -1 3 315.438 3.885 20 0 DHADHM O=C([O-])CCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000665343472 1014972596 /nfs/dbraw/zinc/97/25/96/1014972596.db2.gz KFNCSNGVTFSWRC-OWOJBTEDSA-N -1 3 309.356 3.555 20 0 DHADHM CCN(Cc1ccc2ccccc2c1)Cc1cncc(C(=O)[O-])c1 ZINC001596378750 983899102 /nfs/dbraw/zinc/89/91/02/983899102.db2.gz UWWSMKLOSYPLCK-UHFFFAOYSA-N -1 3 320.392 3.955 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1Br ZINC000129405543 1014986621 /nfs/dbraw/zinc/98/66/21/1014986621.db2.gz NELSIDHOALGVMM-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc(OCCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129429012 1014989432 /nfs/dbraw/zinc/98/94/32/1014989432.db2.gz RANLZUSYTZJZNR-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM C/C(=C/c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])s1 ZINC001589003878 984958238 /nfs/dbraw/zinc/95/82/38/984958238.db2.gz OXQCFFDPFBEBHC-RAXLEYEMSA-N -1 3 301.411 3.982 20 0 DHADHM Cc1cccc(C2(C(=O)NCc3ncccc3[O-])CCCCC2)c1 ZINC000684350864 1015092952 /nfs/dbraw/zinc/09/29/52/1015092952.db2.gz WEORWZASEBZBID-UHFFFAOYSA-N -1 3 324.424 3.614 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029046205 1015100344 /nfs/dbraw/zinc/10/03/44/1015100344.db2.gz JOHCKOCZLYLKIG-UHFFFAOYSA-N -1 3 319.426 3.831 20 0 DHADHM Cc1ccc2sc(C(=O)NCc3ccc([O-])c(F)c3)cc2c1 ZINC000581638394 1015107209 /nfs/dbraw/zinc/10/72/09/1015107209.db2.gz QUTWAKJSFGPYGD-UHFFFAOYSA-N -1 3 315.369 3.984 20 0 DHADHM CCOCc1nnc([N-]Cc2cc3cccc(CC)c3o2)o1 ZINC000656772338 1015144121 /nfs/dbraw/zinc/14/41/21/1015144121.db2.gz OXPNQRNPJXGNHX-UHFFFAOYSA-N -1 3 301.346 3.527 20 0 DHADHM Cc1[nH]c(CN2C[C@@H]3CCCC[C@]32c2ccccc2)cc1C(=O)[O-] ZINC001599961832 985796610 /nfs/dbraw/zinc/79/66/10/985796610.db2.gz JORMKQCASVAUAS-JXFKEZNVSA-N -1 3 324.424 3.923 20 0 DHADHM Cc1[nH]c(CNCc2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC001599964207 985864853 /nfs/dbraw/zinc/86/48/53/985864853.db2.gz ZQBYLXRHHHMOPB-UHFFFAOYSA-N -1 3 313.184 3.618 20 0 DHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)c1C ZINC000341306273 1015186019 /nfs/dbraw/zinc/18/60/19/1015186019.db2.gz IMEMYXKETDTWJX-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM CCOc1cccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597155302 986949715 /nfs/dbraw/zinc/94/97/15/986949715.db2.gz MXENLHLRKMXPTA-UHFFFAOYSA-N -1 3 319.788 3.727 20 0 DHADHM C[C@H](C(=O)[O-])N(Cc1ccc(F)c(Cl)c1Cl)C1CCC1 ZINC001589487100 987043206 /nfs/dbraw/zinc/04/32/06/987043206.db2.gz QQHAXRWKOYCYPF-MRVPVSSYSA-N -1 3 320.191 3.960 20 0 DHADHM COc1cccc(-c2nc(-c3nccc4ccccc43)no2)c1[O-] ZINC000144722873 1015309480 /nfs/dbraw/zinc/30/94/80/1015309480.db2.gz JBMCYGYDIDXPCM-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CCc1[nH]c(CN(C)C(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC001597380585 987576538 /nfs/dbraw/zinc/57/65/38/987576538.db2.gz RHJPBYXBKZHZBX-UHFFFAOYSA-N -1 3 300.402 3.642 20 0 DHADHM CCc1[nH]c(CN(C)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC001597380844 987579989 /nfs/dbraw/zinc/57/99/89/987579989.db2.gz ZONCAEIRNOVJJT-SFHVURJKSA-N -1 3 312.413 3.785 20 0 DHADHM CC1(C)CCc2onc(C(=O)[N-]c3ccnc(Cl)c3F)c2C1 ZINC000891516441 1015344781 /nfs/dbraw/zinc/34/47/81/1015344781.db2.gz TVRZOMSUAIQWPS-UHFFFAOYSA-N -1 3 323.755 3.629 20 0 DHADHM CSc1ccccc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC001599826777 988609455 /nfs/dbraw/zinc/60/94/55/988609455.db2.gz ZDKORLLNRRSWHR-GFCCVEGCSA-N -1 3 301.411 3.958 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597636999 988621569 /nfs/dbraw/zinc/62/15/69/988621569.db2.gz TXGNBPDYJGHWOM-MEDUHNTESA-N -1 3 318.804 3.774 20 0 DHADHM CCc1oc(CN(CC)Cc2ccccc2C)cc1C(=O)[O-] ZINC001597795990 989350738 /nfs/dbraw/zinc/35/07/38/989350738.db2.gz HWMVHAOEMZTBEY-UHFFFAOYSA-N -1 3 301.386 3.871 20 0 DHADHM COc1ccccc1[C@H](C)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001599698586 991184919 /nfs/dbraw/zinc/18/49/19/991184919.db2.gz OGPMWDULFBJFJL-YOEHRIQHSA-N -1 3 313.397 3.952 20 0 DHADHM CC(C)[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001591024785 991319712 /nfs/dbraw/zinc/31/97/12/991319712.db2.gz WBFJICVAIKWAOT-DLBZAZTESA-N -1 3 301.361 3.938 20 0 DHADHM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCS1 ZINC001591093303 991656203 /nfs/dbraw/zinc/65/62/03/991656203.db2.gz OUVGKKZZPWSQHJ-KGLIPLIRSA-N -1 3 313.850 3.539 20 0 DHADHM CC(C)C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccs1 ZINC001591184248 991987825 /nfs/dbraw/zinc/98/78/25/991987825.db2.gz TZGFNVBNHDZXDN-CQSZACIVSA-N -1 3 304.415 3.718 20 0 DHADHM CC(C)CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1ccccc1F ZINC001591342763 992322257 /nfs/dbraw/zinc/32/22/57/992322257.db2.gz JPELZIMLOQCINB-UHFFFAOYSA-N -1 3 318.392 3.521 20 0 DHADHM CN(CCc1ccc2ccccc2c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598500273 992426293 /nfs/dbraw/zinc/42/62/93/992426293.db2.gz PBFMSASCRSBQQE-UHFFFAOYSA-N -1 3 320.392 3.608 20 0 DHADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC001598518350 992646392 /nfs/dbraw/zinc/64/63/92/992646392.db2.gz WYMBQBCHDAYDDT-DXRVJIQQSA-N -1 3 311.381 3.887 20 0 DHADHM CC(C)N(Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccn1 ZINC001591596775 992825159 /nfs/dbraw/zinc/82/51/59/992825159.db2.gz PEQGNZFJTOBINE-UHFFFAOYSA-N -1 3 324.424 3.608 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000684562828 1015749487 /nfs/dbraw/zinc/74/94/87/1015749487.db2.gz GLIKXRKHXPBOQD-SSDOTTSWSA-N -1 3 320.133 3.529 20 0 DHADHM C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593198425 994171637 /nfs/dbraw/zinc/17/16/37/994171637.db2.gz RBYWWCWTISYAKU-NEPJUHHUSA-N -1 3 318.442 3.858 20 0 DHADHM C[C@H](N[C@H]1CCCc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593217820 994277189 /nfs/dbraw/zinc/27/71/89/994277189.db2.gz CEEOKPIUBALYRH-GTNSWQLSSA-N -1 3 314.360 3.647 20 0 DHADHM CC(C)[C@@H](CN[C@H](C)c1cc(C(=O)[O-])co1)Nc1ccccc1 ZINC001593246906 994460683 /nfs/dbraw/zinc/46/06/83/994460683.db2.gz PIBQWFLBTJAOMP-CZUORRHYSA-N -1 3 316.401 3.765 20 0 DHADHM COc1cccc([C@H](N[C@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC001599659980 994641224 /nfs/dbraw/zinc/64/12/24/994641224.db2.gz RNKAHXKZNMYODR-PXAZEXFGSA-N -1 3 317.360 3.619 20 0 DHADHM C[C@@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC001593359516 995018076 /nfs/dbraw/zinc/01/80/76/995018076.db2.gz HEXDVEKBAFDNJT-IRUJWGPZSA-N -1 3 320.389 3.577 20 0 DHADHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000588482514 1015971022 /nfs/dbraw/zinc/97/10/22/1015971022.db2.gz JIYDBVKFWKOOBD-FPLPWBNLSA-N -1 3 323.801 3.767 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1cc(F)cc(Cl)c1 ZINC000535891346 1015992482 /nfs/dbraw/zinc/99/24/82/1015992482.db2.gz GBGVYZAVMHWGFZ-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001593724990 996271923 /nfs/dbraw/zinc/27/19/23/996271923.db2.gz KRNBAIHRTUZMHZ-FRRDWIJNSA-N -1 3 306.406 3.582 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC001599498374 997060805 /nfs/dbraw/zinc/06/08/05/997060805.db2.gz LXYIIIXUOJNDIU-AWEZNQCLSA-N -1 3 313.397 3.895 20 0 DHADHM CC1(C)c2ccccc2CCN1Cc1cc(C(=O)[O-])cs1 ZINC001593987776 997233072 /nfs/dbraw/zinc/23/30/72/997233072.db2.gz BLNXCHADGNMFSO-UHFFFAOYSA-N -1 3 301.411 3.740 20 0 DHADHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C12CCCC2 ZINC000277320351 1016195658 /nfs/dbraw/zinc/19/56/58/1016195658.db2.gz CAWBDZSBLFRFJV-LSDHHAIUSA-N -1 3 323.820 3.513 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594175426 998672597 /nfs/dbraw/zinc/67/25/97/998672597.db2.gz XHDMSVJLLMKZSL-ZHAHWJHGSA-N -1 3 321.726 3.738 20 0 DHADHM CC(C)Cn1ncc(NCc2cc([O-])cc(F)c2)c1C1CC1 ZINC000342294634 1016238341 /nfs/dbraw/zinc/23/83/41/1016238341.db2.gz IGEVAZNKVKULRX-UHFFFAOYSA-N -1 3 303.381 3.873 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cc(F)ccc1F ZINC000622387303 1016384238 /nfs/dbraw/zinc/38/42/38/1016384238.db2.gz RNZWCUAUGPPYFT-OAHLLOKOSA-N -1 3 323.314 3.620 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622376434 1016386963 /nfs/dbraw/zinc/38/69/63/1016386963.db2.gz KDDRONLGGQJZCS-CQSZACIVSA-N -1 3 307.409 3.749 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(OCC(F)F)cc2)c1[O-] ZINC000622412579 1016396159 /nfs/dbraw/zinc/39/61/59/1016396159.db2.gz RNXSKQBKCJYJPX-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000342443303 1016472189 /nfs/dbraw/zinc/47/21/89/1016472189.db2.gz VDZQEOVFDNAHQT-UONOGXRCSA-N -1 3 311.834 3.546 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC001211541039 1016484065 /nfs/dbraw/zinc/48/40/65/1016484065.db2.gz LLQWKRWPDRBFCN-ZIAGYGMSSA-N -1 3 313.463 3.861 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2OCCF)c([O-])c1C ZINC000622629616 1016492528 /nfs/dbraw/zinc/49/25/28/1016492528.db2.gz WMLSCWVYRUMZCJ-UHFFFAOYSA-N -1 3 303.333 3.610 20 0 DHADHM O=C(N[C@H](C1CC1)C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622681222 1016512902 /nfs/dbraw/zinc/51/29/02/1016512902.db2.gz GIXOOWFVSBNUAN-AWEZNQCLSA-N -1 3 313.319 3.720 20 0 DHADHM O=C(N[C@@H](C1CC1)C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622681223 1016513397 /nfs/dbraw/zinc/51/33/97/1016513397.db2.gz GIXOOWFVSBNUAN-CQSZACIVSA-N -1 3 313.319 3.720 20 0 DHADHM CC[C@H](C)OC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001195121372 1036141573 /nfs/dbraw/zinc/14/15/73/1036141573.db2.gz FJWQMMVVWBRHCQ-QMMMGPOBSA-N -1 3 302.168 3.810 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000622728283 1016535207 /nfs/dbraw/zinc/53/52/07/1016535207.db2.gz YCWDSEAAILRBEK-UHFFFAOYSA-N -1 3 319.445 3.934 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1nnc(C(C)(C)C)s1 ZINC000582310798 1016578260 /nfs/dbraw/zinc/57/82/60/1016578260.db2.gz TUFYFRLYEZGOJA-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc([O-])ccc1Cl ZINC000339703432 1016805087 /nfs/dbraw/zinc/80/50/87/1016805087.db2.gz KUIKSTSYHPYWEW-UHFFFAOYSA-N -1 3 303.745 3.623 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1 ZINC000174327846 1016817845 /nfs/dbraw/zinc/81/78/45/1016817845.db2.gz HPIVBZJYURMQMR-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM Cc1ccccc1N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000623047699 1016854901 /nfs/dbraw/zinc/85/49/01/1016854901.db2.gz PIHJSYFIENCELW-UHFFFAOYSA-N -1 3 301.361 3.825 20 0 DHADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522968138 1016914056 /nfs/dbraw/zinc/91/40/56/1016914056.db2.gz BQVBHJFBHNGFEG-VIFPVBQESA-N -1 3 309.884 3.895 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2ccccc2[O-])[C@H]1c1ccccc1 ZINC000118300882 1032242475 /nfs/dbraw/zinc/24/24/75/1032242475.db2.gz PHQHHCVUEALGAZ-SUMWQHHRSA-N -1 3 313.422 3.711 20 0 DHADHM C[C@H]1N(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc2C1(C)C ZINC001147349983 1032304529 /nfs/dbraw/zinc/30/45/29/1032304529.db2.gz QMXLGEPQQRFEPO-GFCCVEGCSA-N -1 3 313.372 3.787 20 0 DHADHM CCC(F)(F)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001147541470 1032320422 /nfs/dbraw/zinc/32/04/22/1032320422.db2.gz JFKKHBLWQPJJAJ-UHFFFAOYSA-N -1 3 321.323 3.960 20 0 DHADHM COc1cccc(C(=O)Nc2c(C)ccc3cccnc32)c1[O-] ZINC001148202303 1032377095 /nfs/dbraw/zinc/37/70/95/1032377095.db2.gz MIJOKSLQBFFPLF-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(Cl)ccc1F ZINC001148427722 1032393267 /nfs/dbraw/zinc/39/32/67/1032393267.db2.gz RVHVGLJGENREFO-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccccc1OC(F)F ZINC001148706914 1032438356 /nfs/dbraw/zinc/43/83/56/1032438356.db2.gz LCXOSOQGBPAHBH-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c([O-])c1C ZINC000537642324 1032547166 /nfs/dbraw/zinc/54/71/66/1032547166.db2.gz OTGLIFNFUYIFMG-OAHLLOKOSA-N -1 3 322.408 3.638 20 0 DHADHM O=S(=O)([N-]c1ccccc1C(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000424087369 1011899663 /nfs/dbraw/zinc/89/96/63/1011899663.db2.gz RMSADLBTSCOVDF-DZGCQCFKSA-N -1 3 323.364 3.922 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)on1 ZINC000320670300 1012100831 /nfs/dbraw/zinc/10/08/31/1012100831.db2.gz SBKJSBGEYGFLLS-INIZCTEOSA-N -1 3 314.385 3.561 20 0 DHADHM C[C@H](CCC(=O)[O-])CNCc1c(Cl)cccc1OC(F)F ZINC000683172423 1012243331 /nfs/dbraw/zinc/24/33/31/1012243331.db2.gz ZNUIYXOFNSVKCO-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM O=C(OCCOc1ccc(F)cc1)c1cc(Cl)c(Cl)[n-]1 ZINC000011809365 1032618922 /nfs/dbraw/zinc/61/89/22/1032618922.db2.gz PZMHUQXXIUPLIJ-UHFFFAOYSA-N -1 3 318.131 3.696 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000109037213 1012404442 /nfs/dbraw/zinc/40/44/42/1012404442.db2.gz XKXRSCDAQXEPIA-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(C)c1[O-])C[C@H](C)O2 ZINC000537680995 1032636791 /nfs/dbraw/zinc/63/67/91/1032636791.db2.gz WXBLMYVMXWQVFY-ZDUSSCGKSA-N -1 3 311.381 3.745 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(F)(F)F)C2)c1 ZINC000874474017 1032641202 /nfs/dbraw/zinc/64/12/02/1032641202.db2.gz RLJLGKZESIQEJK-CYBMUJFWSA-N -1 3 319.348 3.529 20 0 DHADHM COc1ccc2c(c1)CN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC000655317127 1012644228 /nfs/dbraw/zinc/64/42/28/1012644228.db2.gz HUCRHIWOKFESPR-UHFFFAOYSA-N -1 3 311.381 3.680 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c3c(cccc31)CC2 ZINC000154380258 1012698464 /nfs/dbraw/zinc/69/84/64/1012698464.db2.gz AYNUEODCOXPCEF-MRXNPFEDSA-N -1 3 312.369 3.518 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c3c(cccc31)CC2 ZINC000154380258 1012698468 /nfs/dbraw/zinc/69/84/68/1012698468.db2.gz AYNUEODCOXPCEF-MRXNPFEDSA-N -1 3 312.369 3.518 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC2CCCC2)cc1[O-] ZINC000655410764 1012808314 /nfs/dbraw/zinc/80/83/14/1012808314.db2.gz ASQMVKQGYNBDAM-MRXNPFEDSA-N -1 3 315.413 3.780 20 0 DHADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1CCC(C)C ZINC000339006857 1032681360 /nfs/dbraw/zinc/68/13/60/1032681360.db2.gz FQIIAJPMXNQBRY-UHFFFAOYSA-N -1 3 321.808 3.849 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCOC4(CCCC4)C3)no2)c([O-])c1 ZINC000897187701 1017138676 /nfs/dbraw/zinc/13/86/76/1017138676.db2.gz XBLSDTUHAPQJMS-CYBMUJFWSA-N -1 3 314.385 3.957 20 0 DHADHM COc1ccc2nc(-c3ccc(C(F)(F)F)cc3)[n-]c(=O)c2c1 ZINC000117428532 1017219322 /nfs/dbraw/zinc/21/93/22/1017219322.db2.gz PQBJEVZBTCPGAY-UHFFFAOYSA-N -1 3 320.270 3.618 20 0 DHADHM CCc1ncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000180344508 1017423696 /nfs/dbraw/zinc/42/36/96/1017423696.db2.gz NWIUMLDKPIUBFA-UHFFFAOYSA-N -1 3 302.733 3.889 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(F)cc2F)CCC1 ZINC000180927819 1017519133 /nfs/dbraw/zinc/51/91/33/1017519133.db2.gz ZMLYLEUTNCNNHE-UHFFFAOYSA-N -1 3 321.298 3.870 20 0 DHADHM Cc1ccc2snc(C(=O)[N-]c3nc(C(C)C)ns3)c2c1 ZINC000874693754 1032707926 /nfs/dbraw/zinc/70/79/26/1032707926.db2.gz PXBAJSGNOYXERV-UHFFFAOYSA-N -1 3 318.427 3.832 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000181119073 1017723966 /nfs/dbraw/zinc/72/39/66/1017723966.db2.gz JRCLQIBJMOSPMS-UHFFFAOYSA-N -1 3 323.389 3.506 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000625726498 1017796704 /nfs/dbraw/zinc/79/67/04/1017796704.db2.gz LIDCFCMVRPMPRB-HNNXBMFYSA-N -1 3 313.372 3.545 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c([O-])c1 ZINC000445306972 1017819618 /nfs/dbraw/zinc/81/96/18/1017819618.db2.gz DOVHUZWCWAIXFX-UHFFFAOYSA-N -1 3 306.365 3.830 20 0 DHADHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000183291738 1018010178 /nfs/dbraw/zinc/01/01/78/1018010178.db2.gz JFEYFRLXJNSLES-UHFFFAOYSA-N -1 3 307.140 3.517 20 0 DHADHM COc1ccccc1-n1nccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377515 1018069948 /nfs/dbraw/zinc/06/99/48/1018069948.db2.gz SBBMGVVSQYJMHD-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM Cc1cc(Br)oc1C(=O)[N-]c1c(F)cccc1F ZINC000044267563 1018076508 /nfs/dbraw/zinc/07/65/08/1018076508.db2.gz MPEVLVVIBKWXDK-UHFFFAOYSA-N -1 3 316.101 3.881 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1[O-] ZINC000665921995 1018088875 /nfs/dbraw/zinc/08/88/75/1018088875.db2.gz KGWSSDREAHFAKV-GOSISDBHSA-N -1 3 323.392 3.744 20 0 DHADHM CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901757034 1018104468 /nfs/dbraw/zinc/10/44/68/1018104468.db2.gz FDDAFSPUKNNQNW-JSGCOSHPSA-N -1 3 311.422 3.534 20 0 DHADHM CC(C)C[C@]1(C)CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000458408000 1018127692 /nfs/dbraw/zinc/12/76/92/1018127692.db2.gz GQWFPDYRDNJLFF-KRWDZBQOSA-N -1 3 308.397 3.642 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1 ZINC000525008214 1018147389 /nfs/dbraw/zinc/14/73/89/1018147389.db2.gz VPRPTRLYEPOHPB-UHFFFAOYSA-N -1 3 319.426 3.973 20 0 DHADHM O=C(NNc1cccc(Cl)c1)c1cc2c(cc1[O-])CCCC2 ZINC000065617434 1018165029 /nfs/dbraw/zinc/16/50/29/1018165029.db2.gz DGMZHUPVWXTOHE-UHFFFAOYSA-N -1 3 316.788 3.681 20 0 DHADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1N(C)C ZINC000764238342 1018211157 /nfs/dbraw/zinc/21/11/57/1018211157.db2.gz ZYPOETSABRKPAW-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM CCCCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000764442861 1018284139 /nfs/dbraw/zinc/28/41/39/1018284139.db2.gz REWXXNFDDBUJDJ-CLFYSBASSA-N -1 3 314.385 3.930 20 0 DHADHM [O-]c1cc(Cl)c(CN2CC[C@]3(C2)CCCCO3)c(Cl)c1 ZINC001142106081 1018322832 /nfs/dbraw/zinc/32/28/32/1018322832.db2.gz YKVYDNOWTBOMIU-HNNXBMFYSA-N -1 3 316.228 3.844 20 0 DHADHM COC(=O)c1cc(Cl)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381759 1018341594 /nfs/dbraw/zinc/34/15/94/1018341594.db2.gz FMJQDRHGGVHBTL-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM C[C@@H](NCc1nc2c(s1)CCCC2)c1cccc([O-])c1F ZINC000926918711 1032760301 /nfs/dbraw/zinc/76/03/01/1032760301.db2.gz IKSPPMPCLGTHKL-SNVBAGLBSA-N -1 3 306.406 3.717 20 0 DHADHM CCOCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000361394391 1018386352 /nfs/dbraw/zinc/38/63/52/1018386352.db2.gz FDVIUIFZIFQUMC-UHFFFAOYSA-N -1 3 304.346 3.740 20 0 DHADHM Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc([O-])cc1 ZINC000012256476 1032764234 /nfs/dbraw/zinc/76/42/34/1032764234.db2.gz XLPVHIPPERDCOR-UHFFFAOYSA-N -1 3 309.321 3.713 20 0 DHADHM O=C1CCCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc2N1 ZINC001213384444 1018461272 /nfs/dbraw/zinc/46/12/72/1018461272.db2.gz MWVGGELJQOBTEW-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cc(F)cc(Cl)c3)no2)n1 ZINC001213697813 1018495464 /nfs/dbraw/zinc/49/54/64/1018495464.db2.gz FFGUIAHREDWXGW-UHFFFAOYSA-N -1 3 305.696 3.605 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ncsc1C(F)(F)F ZINC000527170507 1018522832 /nfs/dbraw/zinc/52/28/32/1018522832.db2.gz IFVAVKOPMQLRRM-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1[O-] ZINC000564730063 1018701334 /nfs/dbraw/zinc/70/13/34/1018701334.db2.gz JRZHQRYQBGLJPH-CYBMUJFWSA-N -1 3 315.394 3.715 20 0 DHADHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000536187788 1018826239 /nfs/dbraw/zinc/82/62/39/1018826239.db2.gz DVLMPAHVVZUXGT-QMMMGPOBSA-N -1 3 320.805 3.576 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000354584111 1018829271 /nfs/dbraw/zinc/82/92/71/1018829271.db2.gz WSNCYDYVUBSOLX-CQSZACIVSA-N -1 3 301.411 3.513 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672125905 1018892431 /nfs/dbraw/zinc/89/24/31/1018892431.db2.gz VGVBFHASCOZEDD-FUHWJXTLSA-N -1 3 307.393 3.608 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1cccnc1)C1CC1 ZINC000471660843 1018916513 /nfs/dbraw/zinc/91/65/13/1018916513.db2.gz XNTVLXQQMKNNPS-UHFFFAOYSA-N -1 3 318.376 3.745 20 0 DHADHM COCc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471741641 1018929019 /nfs/dbraw/zinc/92/90/19/1018929019.db2.gz OCJPPKFTSYLJTG-UHFFFAOYSA-N -1 3 321.376 3.622 20 0 DHADHM C[C@H](N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000565104868 1018963349 /nfs/dbraw/zinc/96/33/49/1018963349.db2.gz PVLAPJHUPJPYKT-LBPRGKRZSA-N -1 3 316.401 3.906 20 0 DHADHM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ncccc4[O-])cc3c2C1 ZINC000022261624 1018966393 /nfs/dbraw/zinc/96/63/93/1018966393.db2.gz DTUQPBYUZSJGQW-NSHDSACASA-N -1 3 321.380 3.646 20 0 DHADHM CC(C)c1nsc([N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656228494 1018976447 /nfs/dbraw/zinc/97/64/47/1018976447.db2.gz QWWLQYVWMTVTRR-BDAKNGLRSA-N -1 3 309.357 3.573 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000765650065 1019022247 /nfs/dbraw/zinc/02/22/47/1019022247.db2.gz ZTXZBKDHHCMISY-JQWIXIFHSA-N -1 3 323.314 3.950 20 0 DHADHM Nc1cn(-c2cc(F)c([O-])c(Cl)c2)c2nccc(Cl)c12 ZINC001214484221 1019023566 /nfs/dbraw/zinc/02/35/66/1019023566.db2.gz GEXZSYWAWHODOZ-UHFFFAOYSA-N -1 3 312.131 3.759 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccc(F)cc2C1 ZINC000355177067 1019095531 /nfs/dbraw/zinc/09/55/31/1019095531.db2.gz LHQVOPBETQKVLT-UHFFFAOYSA-N -1 3 321.351 3.883 20 0 DHADHM CC[C@H](C)Cc1c(C)sc2[n-]c(COC(C)C)nc(=O)c12 ZINC000080715656 1019104075 /nfs/dbraw/zinc/10/40/75/1019104075.db2.gz GVEQEFWTTMXAIR-JTQLQIEISA-N -1 3 308.447 3.807 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c(C)c1C ZINC000080717786 1019105374 /nfs/dbraw/zinc/10/53/74/1019105374.db2.gz PXTUNILBQYVJOK-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000029046990 1019164686 /nfs/dbraw/zinc/16/46/86/1019164686.db2.gz RCCBKALMLFSFJZ-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM C[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300269781 1019198773 /nfs/dbraw/zinc/19/87/73/1019198773.db2.gz DWRJDZLSFRYKJJ-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM CCc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000042017777 1019281693 /nfs/dbraw/zinc/28/16/93/1019281693.db2.gz ZSNDGVFFGBIOBY-CYBMUJFWSA-N -1 3 320.392 3.582 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000739022847 1019365641 /nfs/dbraw/zinc/36/56/41/1019365641.db2.gz FVEYMCJTJMUZTO-VXGBXAGGSA-N -1 3 310.825 3.769 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1Cc1ccccc1F ZINC001212479583 1019411856 /nfs/dbraw/zinc/41/18/56/1019411856.db2.gz HDSRDJLSCXNFTE-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM Cc1ccc(C(=O)NCCSCc2ccccc2F)c([O-])c1 ZINC000045574818 1019418331 /nfs/dbraw/zinc/41/83/31/1019418331.db2.gz FAJGPWXSBKCCJM-UHFFFAOYSA-N -1 3 319.401 3.503 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3oncc3c2)CC)n1 ZINC000606445345 1019545435 /nfs/dbraw/zinc/54/54/35/1019545435.db2.gz KNXHPWYNTVCZRQ-MDWZMJQESA-N -1 3 309.369 3.814 20 0 DHADHM C[C@@H]1CC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000093097047 1019565821 /nfs/dbraw/zinc/56/58/21/1019565821.db2.gz HOYZAOJEKPBWNW-RKDXNWHRSA-N -1 3 317.307 3.553 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000107458058 1019626021 /nfs/dbraw/zinc/62/60/21/1019626021.db2.gz UIYGRWCNXCKHBX-SECBINFHSA-N -1 3 307.868 3.649 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c([O-])c1 ZINC000682527597 1019644858 /nfs/dbraw/zinc/64/48/58/1019644858.db2.gz INVAOBSAFYRGSO-CMPLNLGQSA-N -1 3 315.335 3.758 20 0 DHADHM CC(C)(C)c1cnc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000280467027 1019720179 /nfs/dbraw/zinc/72/01/79/1019720179.db2.gz SUHJUMDLUYQMJF-UHFFFAOYSA-N -1 3 324.380 3.761 20 0 DHADHM O=C(NCCOC1CCCCC1)c1cc([O-])c2ccccc2c1 ZINC000525918734 1019726648 /nfs/dbraw/zinc/72/66/48/1019726648.db2.gz XSZAXUORDPOIMC-UHFFFAOYSA-N -1 3 313.397 3.625 20 0 DHADHM C[C@H](Cc1ccsc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525919483 1019728058 /nfs/dbraw/zinc/72/80/58/1019728058.db2.gz YOXIUORPTQYJHM-GFCCVEGCSA-N -1 3 311.406 3.968 20 0 DHADHM O=C(NCCCc1ccc(O)cc1)c1cc([O-])c2ccccc2c1 ZINC000525922522 1019728463 /nfs/dbraw/zinc/72/84/63/1019728463.db2.gz IFLXZKFBZZVMPL-UHFFFAOYSA-N -1 3 321.376 3.614 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ccccn1 ZINC000526867482 1019735497 /nfs/dbraw/zinc/73/54/97/1019735497.db2.gz IJSYEIZZNGCNSA-SFHVURJKSA-N -1 3 318.376 3.918 20 0 DHADHM O=C(NCCCOc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000527166191 1019743638 /nfs/dbraw/zinc/74/36/38/1019743638.db2.gz ZQSRDVXGYKHDEY-UHFFFAOYSA-N -1 3 321.376 3.744 20 0 DHADHM COc1cc(C)cc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527167638 1019744175 /nfs/dbraw/zinc/74/41/75/1019744175.db2.gz VLRGHJMDZYCNHW-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM C[C@@H](CCc1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527166396 1019744336 /nfs/dbraw/zinc/74/43/36/1019744336.db2.gz ZAYLNASWQZVKHE-ZDUSSCGKSA-N -1 3 309.365 3.890 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000281512355 1019770701 /nfs/dbraw/zinc/77/07/01/1019770701.db2.gz ISRBWOYAUDSDEO-IRXDYDNUSA-N -1 3 323.392 3.519 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cc3nc(C)ccc3o2)s1 ZINC000264155185 1032865711 /nfs/dbraw/zinc/86/57/11/1032865711.db2.gz LXZSHCUIRPFUPH-UHFFFAOYSA-N -1 3 316.386 3.583 20 0 DHADHM CCc1c(C)sc2[n-]c(COc3ccc(F)cc3)nc(=O)c12 ZINC000180967577 1019994675 /nfs/dbraw/zinc/99/46/75/1019994675.db2.gz WUDWTKJZJMFEOX-UHFFFAOYSA-N -1 3 318.373 3.574 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000673586842 1020154468 /nfs/dbraw/zinc/15/44/68/1020154468.db2.gz FNLLCNBKTQTMCK-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM CCCCc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000731866510 1020164125 /nfs/dbraw/zinc/16/41/25/1020164125.db2.gz OHTAEJUMXWSTDR-UHFFFAOYSA-N -1 3 321.380 3.930 20 0 DHADHM CC1(C)Cc2cccc(Oc3nc4ccccc4c(=O)[n-]3)c2O1 ZINC000731905431 1020169665 /nfs/dbraw/zinc/16/96/65/1020169665.db2.gz GYVUYXRYGCTZFL-UHFFFAOYSA-N -1 3 308.337 3.841 20 0 DHADHM COc1ccccc1CN(C(=O)c1c(C)cccc1[O-])C1CC1 ZINC000624415848 1020173236 /nfs/dbraw/zinc/17/32/36/1020173236.db2.gz GZAMKGIAFMYVBS-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000732393139 1020234375 /nfs/dbraw/zinc/23/43/75/1020234375.db2.gz MGYRAEUEDXRCOI-VIFPVBQESA-N -1 3 311.259 3.724 20 0 DHADHM CC(C)Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]1 ZINC000685706083 1020301976 /nfs/dbraw/zinc/30/19/76/1020301976.db2.gz WEUKBTCMTVHFKD-UHFFFAOYSA-N -1 3 309.369 3.719 20 0 DHADHM Nc1ncccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001212410030 1020366940 /nfs/dbraw/zinc/36/69/40/1020366940.db2.gz GNAMQPLMRMXIKV-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM O=C([N-]c1ccc(C2CCC2)cn1)c1ocnc1C(F)(F)F ZINC000635971958 1020385705 /nfs/dbraw/zinc/38/57/05/1020385705.db2.gz OIECKSZNYNCOPR-UHFFFAOYSA-N -1 3 311.263 3.608 20 0 DHADHM CC(C)(C)c1cnc(COC(=O)c2cc3ccsc3[n-]2)o1 ZINC000733408655 1020389285 /nfs/dbraw/zinc/38/92/85/1020389285.db2.gz ZVGCPGLTAYVBDM-UHFFFAOYSA-N -1 3 304.371 3.872 20 0 DHADHM CC(=O)n1ncc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001212419736 1020401530 /nfs/dbraw/zinc/40/15/30/1020401530.db2.gz ZZDPWNAEEBAGIW-UHFFFAOYSA-N -1 3 301.733 3.799 20 0 DHADHM CCOc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000055558259 1020416453 /nfs/dbraw/zinc/41/64/53/1020416453.db2.gz JBQRWVGTDLLUTL-SEYXRHQNSA-N -1 3 317.410 3.806 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000625343926 1020481911 /nfs/dbraw/zinc/48/19/11/1020481911.db2.gz DEEYOVOMWAUBLP-ZDUSSCGKSA-N -1 3 323.396 3.561 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]1c1cccc(F)c1 ZINC000685764997 1020495900 /nfs/dbraw/zinc/49/59/00/1020495900.db2.gz RXEZQHRXXUNLLK-HNNXBMFYSA-N -1 3 305.736 3.772 20 0 DHADHM O=C(CC1CC(c2ccccc2)C1)NCc1ccc([O-])c(F)c1 ZINC000282673458 1020499485 /nfs/dbraw/zinc/49/94/85/1020499485.db2.gz IWKOBRSPVKRQGZ-UHFFFAOYSA-N -1 3 313.372 3.731 20 0 DHADHM Cn1nc(CC/N=C/c2cc(Cl)ccc2[O-])c2ccccc21 ZINC000186844055 1020507138 /nfs/dbraw/zinc/50/71/38/1020507138.db2.gz HTBJAYZDPXGAPP-YBFXNURJSA-N -1 3 313.788 3.594 20 0 DHADHM Nc1ccc(Cl)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212431087 1020523914 /nfs/dbraw/zinc/52/39/14/1020523914.db2.gz LWLBCKDKABRMIW-UHFFFAOYSA-N -1 3 300.749 3.557 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)C(F)(F)c1ccccc1F ZINC000766202508 1020527374 /nfs/dbraw/zinc/52/73/74/1020527374.db2.gz LWUGSZOIOWKWQC-UHFFFAOYSA-N -1 3 324.180 3.563 20 0 DHADHM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132873834 1020580109 /nfs/dbraw/zinc/58/01/09/1020580109.db2.gz NYAMDRGVKXJWAA-MRXNPFEDSA-N -1 3 319.401 3.718 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000132924623 1020583135 /nfs/dbraw/zinc/58/31/35/1020583135.db2.gz CFBKOXQTDNOQKQ-QWHCGFSZSA-N -1 3 319.763 3.605 20 0 DHADHM CN(Cc1ccccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163673709 1020613527 /nfs/dbraw/zinc/61/35/27/1020613527.db2.gz BFIMMLRCDPQYCB-UHFFFAOYSA-N -1 3 322.767 3.526 20 0 DHADHM CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163739853 1020615787 /nfs/dbraw/zinc/61/57/87/1020615787.db2.gz XTLJYIPAEPWHGW-UHFFFAOYSA-N -1 3 322.767 3.526 20 0 DHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163705530 1020616323 /nfs/dbraw/zinc/61/63/23/1020616323.db2.gz FCBNXCZJRUMJNL-ZDUSSCGKSA-N -1 3 308.397 3.642 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000625609905 1020620450 /nfs/dbraw/zinc/62/04/50/1020620450.db2.gz MTVRGSXVMNRUGR-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000685789724 1020653985 /nfs/dbraw/zinc/65/39/85/1020653985.db2.gz NGOICRUWLXBIBI-JTQLQIEISA-N -1 3 319.763 3.944 20 0 DHADHM CCOC(=O)c1cccnc1Nc1c(Cl)ccc([O-])c1F ZINC001214554062 1020819464 /nfs/dbraw/zinc/81/94/64/1020819464.db2.gz JCNKBLQVOUDUCS-UHFFFAOYSA-N -1 3 310.712 3.500 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OCCOc1ccccc1 ZINC000738294033 1020871496 /nfs/dbraw/zinc/87/14/96/1020871496.db2.gz BCJMKCTZLZMVGO-UHFFFAOYSA-N -1 3 321.376 3.509 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000066574940 1020938558 /nfs/dbraw/zinc/93/85/58/1020938558.db2.gz MOHYYJDNHHNHNL-ZHACJKMWSA-N -1 3 323.801 3.761 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000740922585 1020964226 /nfs/dbraw/zinc/96/42/26/1020964226.db2.gz NESGZZRNYSVBCT-GFCCVEGCSA-N -1 3 304.394 4.000 20 0 DHADHM O=C(NC[C@H]1CCCCC1(F)F)c1cc([O-])ccc1Cl ZINC000295443473 1021030934 /nfs/dbraw/zinc/03/09/34/1021030934.db2.gz OLDVQZSDNWLXBK-SECBINFHSA-N -1 3 303.736 3.601 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000741753011 1021048953 /nfs/dbraw/zinc/04/89/53/1021048953.db2.gz MXBZSHGZYJFSNP-UHFFFAOYSA-N -1 3 323.314 3.804 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1cscc1Cl ZINC000636438044 1021155898 /nfs/dbraw/zinc/15/58/98/1021155898.db2.gz MGDKPEAXUNFDAL-UHFFFAOYSA-N -1 3 301.824 3.803 20 0 DHADHM CCCCC[C@@H](CC)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000181515248 1021223750 /nfs/dbraw/zinc/22/37/50/1021223750.db2.gz PXPAJYDZHOZCMI-SNVBAGLBSA-N -1 3 318.343 3.545 20 0 DHADHM COc1ccc(CCCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128405422 1021242977 /nfs/dbraw/zinc/24/29/77/1021242977.db2.gz BYSIQUXRIGWFOB-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM CSc1cc(F)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000647637668 1021286310 /nfs/dbraw/zinc/28/63/10/1021286310.db2.gz RTJPQIVJHBHOTM-UHFFFAOYSA-N -1 3 305.378 3.533 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000128948360 1021386914 /nfs/dbraw/zinc/38/69/14/1021386914.db2.gz KLDWPKOLGIAXQW-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000556064812 1021509793 /nfs/dbraw/zinc/50/97/93/1021509793.db2.gz NKZSLMHFJKFRIQ-QFYYESIMSA-N -1 3 301.773 3.709 20 0 DHADHM O=C([O-])CCN(Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000659790215 1021526411 /nfs/dbraw/zinc/52/64/11/1021526411.db2.gz NTLLYNAMPDWFGX-UHFFFAOYSA-N -1 3 309.818 3.878 20 0 DHADHM C[C@H]1CCc2c(C(=O)Nc3cccc([O-])c3F)csc2C1 ZINC000129694376 1021547824 /nfs/dbraw/zinc/54/78/24/1021547824.db2.gz VXIOEXAWKXAZKS-VIFPVBQESA-N -1 3 305.374 3.970 20 0 DHADHM S=C1Cc2ccc(-c3ccnc(Br)c3)cc2[N-]1 ZINC001241712258 1021721678 /nfs/dbraw/zinc/72/16/78/1021721678.db2.gz KHTJKWYNHRXLNH-UHFFFAOYSA-N -1 3 305.200 3.807 20 0 DHADHM O=C(Nc1cccc2ccsc21)c1c[n-]c2ccccc2c1=O ZINC000337458723 1033008220 /nfs/dbraw/zinc/00/82/20/1033008220.db2.gz OFHXDOICXVDESY-UHFFFAOYSA-N -1 3 320.373 3.995 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H](c2ccncc2)C1 ZINC000556954743 1021972384 /nfs/dbraw/zinc/97/23/84/1021972384.db2.gz LPAPCOSIPALLEV-INIZCTEOSA-N -1 3 318.376 3.570 20 0 DHADHM CCc1nc(C(=O)[N-]c2c(OC)cccc2SC)c(C)o1 ZINC000416121033 1022136877 /nfs/dbraw/zinc/13/68/77/1022136877.db2.gz JEKDKIUIASCEBG-UHFFFAOYSA-N -1 3 306.387 3.528 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620566391 1022182794 /nfs/dbraw/zinc/18/27/94/1022182794.db2.gz JVTASQVSHOEHOS-OAHLLOKOSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@H](NCc1nnc(C(C)(C)C)s1)c1cc([O-])cc(F)c1 ZINC000925529503 1022224465 /nfs/dbraw/zinc/22/44/65/1022224465.db2.gz YWHMENWVAXZMRC-VIFPVBQESA-N -1 3 309.410 3.531 20 0 DHADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153609829 1022227515 /nfs/dbraw/zinc/22/75/15/1022227515.db2.gz AHTCHLHKZITVBU-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153636793 1022231974 /nfs/dbraw/zinc/23/19/74/1022231974.db2.gz WHBLYVFKFOSEKN-ZIAGYGMSSA-N -1 3 317.772 3.796 20 0 DHADHM COC(=O)c1ccnc(Cl)c1Nc1ccc(Cl)c([O-])c1 ZINC001212589278 1022360231 /nfs/dbraw/zinc/36/02/31/1022360231.db2.gz DECXSUQFDAIESB-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C3CC3)cc2)o1 ZINC000416666230 1022410157 /nfs/dbraw/zinc/41/01/57/1022410157.db2.gz ORWVCYKJKBWJSS-LBPRGKRZSA-N -1 3 305.399 3.505 20 0 DHADHM COCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000080053888 1022423479 /nfs/dbraw/zinc/42/34/79/1022423479.db2.gz RPWIOUOOPTYEJS-UHFFFAOYSA-N -1 3 319.426 3.559 20 0 DHADHM O=C1CCCN1c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591656 1022452791 /nfs/dbraw/zinc/45/27/91/1022452791.db2.gz XQSLYTNRUIEPHU-UHFFFAOYSA-N -1 3 302.761 3.916 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592319 1022474301 /nfs/dbraw/zinc/47/43/01/1022474301.db2.gz JTXBYAJAIJDROC-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM Cc1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)c(C)n1 ZINC000185370317 1022479863 /nfs/dbraw/zinc/47/98/63/1022479863.db2.gz PZZYDMSHYOAOBU-UHFFFAOYSA-N -1 3 320.392 3.642 20 0 DHADHM [O-]c1cc(Nc2ccc(N3CCOCC3)c(F)c2)ccc1Cl ZINC001212592183 1022480977 /nfs/dbraw/zinc/48/09/77/1022480977.db2.gz CJQNORBWQJPPFP-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM COc1ccc(NC(C)=O)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212592631 1022490435 /nfs/dbraw/zinc/49/04/35/1022490435.db2.gz ZOMDOMQBCGQGOE-UHFFFAOYSA-N -1 3 306.749 3.756 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])C(C1CC1)C1CC1 ZINC000157251023 1022537777 /nfs/dbraw/zinc/53/77/77/1022537777.db2.gz WYEFFNLVLPGSHH-UHFFFAOYSA-N -1 3 310.191 3.529 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000855014781 1022563031 /nfs/dbraw/zinc/56/30/31/1022563031.db2.gz DLEBGLILHADLSI-UONOGXRCSA-N -1 3 317.813 3.549 20 0 DHADHM O=C([O-])c1ccccc1C1CCN(Cc2ccccc2F)CC1 ZINC000364036086 1022602653 /nfs/dbraw/zinc/60/26/53/1022602653.db2.gz JYOCIZIKNFZTJE-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC000621170971 1022613505 /nfs/dbraw/zinc/61/35/05/1022613505.db2.gz FOJJZGQVAPRSJM-GOSISDBHSA-N -1 3 322.408 3.717 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000276399352 1022628376 /nfs/dbraw/zinc/62/83/76/1022628376.db2.gz WFWHJUUXGFWHIE-LBPRGKRZSA-N -1 3 301.308 3.504 20 0 DHADHM CC1(C)[C@@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1(F)F ZINC000856068745 1022746843 /nfs/dbraw/zinc/74/68/43/1022746843.db2.gz URAAUSGRNUHHNM-CQSZACIVSA-N -1 3 305.324 3.567 20 0 DHADHM C[C@H](N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000621482457 1022775879 /nfs/dbraw/zinc/77/58/79/1022775879.db2.gz UEKJTBVGQAJATH-VIFPVBQESA-N -1 3 303.324 3.918 20 0 DHADHM CCCOc1c(C=Cc2nccc(=O)[n-]2)cccc1OCC ZINC000742221802 1022808996 /nfs/dbraw/zinc/80/89/96/1022808996.db2.gz TZCZNQJAWYTPPH-CMDGGOBGSA-N -1 3 300.358 3.540 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000617094513 1022844141 /nfs/dbraw/zinc/84/41/41/1022844141.db2.gz LZDGGILQRQNFLV-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCC12CCCCC2 ZINC000617108632 1022862606 /nfs/dbraw/zinc/86/26/06/1022862606.db2.gz QVCADDNGZXCMIT-INIZCTEOSA-N -1 3 305.393 3.693 20 0 DHADHM Cc1ccc(C(=O)CCCC(=O)[N-]OCc2ccccc2)cc1 ZINC000184407572 1022884750 /nfs/dbraw/zinc/88/47/50/1022884750.db2.gz LRFCJIWKXFIKHH-UHFFFAOYSA-N -1 3 311.381 3.596 20 0 DHADHM O=C(NC1CCC(F)(F)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621936233 1022945736 /nfs/dbraw/zinc/94/57/36/1022945736.db2.gz ZAFLOEKZRAJXQU-UHFFFAOYSA-N -1 3 323.261 3.719 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC000617407754 1022946367 /nfs/dbraw/zinc/94/63/67/1022946367.db2.gz JGQOKDKPLXNYGU-LBPRGKRZSA-N -1 3 303.427 3.938 20 0 DHADHM CC(C)(C)SCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857106759 1022949139 /nfs/dbraw/zinc/94/91/39/1022949139.db2.gz ZJWZROKUZWMHOH-UHFFFAOYSA-N -1 3 321.364 3.673 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C(C)(C)C1 ZINC000857143747 1022954945 /nfs/dbraw/zinc/95/49/45/1022954945.db2.gz RSUVOEZGUNPXKZ-VIFPVBQESA-N -1 3 301.308 3.672 20 0 DHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941137 1022960002 /nfs/dbraw/zinc/96/00/02/1022960002.db2.gz JNXNAHKZDCOWFM-CABZTGNLSA-N -1 3 301.308 3.814 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC2(CCCC2)CC1 ZINC000617566412 1022993307 /nfs/dbraw/zinc/99/33/07/1022993307.db2.gz FGFNPTCTNPZYQH-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM O=C(OCc1ccc(-c2ccsc2)cc1)c1cncc([O-])c1 ZINC000768697965 1023011079 /nfs/dbraw/zinc/01/10/79/1023011079.db2.gz NCPAXUVKSUVOSF-UHFFFAOYSA-N -1 3 311.362 3.873 20 0 DHADHM CCC1(CC)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622068310 1023018682 /nfs/dbraw/zinc/01/86/82/1023018682.db2.gz IXQVPQNIAGJWNR-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM O=C(CCCOc1ccc2c(c1)CCCC2)[N-]OCCC1CC1 ZINC000857511946 1023026508 /nfs/dbraw/zinc/02/65/08/1023026508.db2.gz CYWQTCIRGISNCM-UHFFFAOYSA-N -1 3 317.429 3.572 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H](C2CCC2)C1 ZINC000622109388 1023030544 /nfs/dbraw/zinc/03/05/44/1023030544.db2.gz OUZMRNGVNKWHML-LLVKDONJSA-N -1 3 313.319 3.673 20 0 DHADHM CCc1ccc(C)nc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000622141336 1023043355 /nfs/dbraw/zinc/04/33/55/1023043355.db2.gz HMXVPLKGCTXTAW-UHFFFAOYSA-N -1 3 316.376 3.759 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)n1 ZINC000192725613 1023052860 /nfs/dbraw/zinc/05/28/60/1023052860.db2.gz TUAGOZWCJJTDND-MNOVXSKESA-N -1 3 323.343 3.504 20 0 DHADHM COc1cc(/C=C/C(=O)c2cncc(C)c2)cc(Cl)c1[O-] ZINC000184765674 1023110684 /nfs/dbraw/zinc/11/06/84/1023110684.db2.gz BBXDXIAZEBLCSK-ONEGZZNKSA-N -1 3 303.745 3.654 20 0 DHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000622318468 1023113975 /nfs/dbraw/zinc/11/39/75/1023113975.db2.gz PGQCBGYUZISBGR-UHFFFAOYSA-N -1 3 313.250 3.827 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000194783190 1023188661 /nfs/dbraw/zinc/18/86/61/1023188661.db2.gz OSWTVDBDRHFMQJ-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccco1 ZINC000109725790 1023242802 /nfs/dbraw/zinc/24/28/02/1023242802.db2.gz FGAGADKXPYEIIN-UHFFFAOYSA-N -1 3 303.368 3.535 20 0 DHADHM O=S(=O)([N-]C1CC2(CCC2)C1)c1c(Cl)cccc1Cl ZINC000651918865 1023642765 /nfs/dbraw/zinc/64/27/65/1023642765.db2.gz TUPZGHAEGRYANC-UHFFFAOYSA-N -1 3 320.241 3.604 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1ncc(C(C)(C)C)o1 ZINC000786032950 1023654248 /nfs/dbraw/zinc/65/42/48/1023654248.db2.gz XOLRFZMHBBVLAV-VIFPVBQESA-N -1 3 302.330 3.964 20 0 DHADHM Cc1cnc(COC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786131824 1023665635 /nfs/dbraw/zinc/66/56/35/1023665635.db2.gz RHNQREUMMZDPFR-UHFFFAOYSA-N -1 3 305.380 3.729 20 0 DHADHM Cc1nc(CCOC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000786138919 1023666881 /nfs/dbraw/zinc/66/68/81/1023666881.db2.gz DUKRZYHACIRFKN-UHFFFAOYSA-N -1 3 319.407 3.771 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)nc1 ZINC000786729128 1023719109 /nfs/dbraw/zinc/71/91/09/1023719109.db2.gz SULGNEJSBSKXPZ-UHFFFAOYSA-N -1 3 308.740 3.541 20 0 DHADHM CC(C)(C)SCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786872636 1023733336 /nfs/dbraw/zinc/73/33/36/1023733336.db2.gz RDGAPMUGMRJPEL-UHFFFAOYSA-N -1 3 313.438 3.502 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000048653615 1023803122 /nfs/dbraw/zinc/80/31/22/1023803122.db2.gz PKFXPZAHCOVODT-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366745 1023818099 /nfs/dbraw/zinc/81/80/99/1023818099.db2.gz NHIUTNBKXVYZFV-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000049524893 1023856003 /nfs/dbraw/zinc/85/60/03/1023856003.db2.gz YJSCDBALJBCMAY-GXSJLCMTSA-N -1 3 322.257 3.850 20 0 DHADHM COc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788261614 1023867048 /nfs/dbraw/zinc/86/70/48/1023867048.db2.gz NXCLGUBZAFKFIT-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM O=C(NCCSC(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000788279896 1023870369 /nfs/dbraw/zinc/87/03/69/1023870369.db2.gz CPNMHZRQMDTOFQ-UHFFFAOYSA-N -1 3 321.345 3.590 20 0 DHADHM O=C([O-])C[C@@H]1CCCCN1Cc1nc(-c2ccccc2)cs1 ZINC000652463661 1023877055 /nfs/dbraw/zinc/87/70/55/1023877055.db2.gz PHLXKISJAQVGGQ-AWEZNQCLSA-N -1 3 316.426 3.639 20 0 DHADHM O=c1nc(CN2CCCC[C@@H]2CC2CCC2)[n-]c2ccsc21 ZINC000662155720 1023931050 /nfs/dbraw/zinc/93/10/50/1023931050.db2.gz HSGVKGADPNHBRH-CYBMUJFWSA-N -1 3 317.458 3.942 20 0 DHADHM CC1(C)CCCC[C@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222400 1023996519 /nfs/dbraw/zinc/99/65/19/1023996519.db2.gz GTWSAGGCJQFFGZ-DOTOQJQBSA-N -1 3 301.430 3.887 20 0 DHADHM CC(C)c1c[nH]c(SCc2nnc(-c3ccccc3[O-])o2)n1 ZINC000882260468 1024012285 /nfs/dbraw/zinc/01/22/85/1024012285.db2.gz HEBFVTICJOFENC-UHFFFAOYSA-N -1 3 316.386 3.581 20 0 DHADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCCCC(C)(C)C ZINC000882295235 1024017336 /nfs/dbraw/zinc/01/73/36/1024017336.db2.gz SMQXLIKDBRJKJZ-UHFFFAOYSA-N -1 3 312.435 3.586 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000531288705 1024093582 /nfs/dbraw/zinc/09/35/82/1024093582.db2.gz GMENKYVHRQMSKH-IWIIMEHWSA-N -1 3 310.191 3.529 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCCCCC2)c([O-])c1 ZINC000789737283 1024160692 /nfs/dbraw/zinc/16/06/92/1024160692.db2.gz SXIZMVLANISEHJ-UHFFFAOYSA-N -1 3 305.418 3.977 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 ZINC000538788564 1033190176 /nfs/dbraw/zinc/19/01/76/1033190176.db2.gz NZTAJAJXPMMXTO-NSHDSACASA-N -1 3 315.344 3.521 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1cc(C(C)(C)N)no1 ZINC000662620352 1024270924 /nfs/dbraw/zinc/27/09/24/1024270924.db2.gz HFFAVSSGOIJTED-UHFFFAOYSA-N -1 3 319.430 3.621 20 0 DHADHM COc1cc(/C=C2/C(=O)Nc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000131221626 1024288686 /nfs/dbraw/zinc/28/86/86/1024288686.db2.gz QNXNKHTWANZAOG-NYYWCZLTSA-N -1 3 319.719 3.686 20 0 DHADHM Cc1ncsc1CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349693387 1024306353 /nfs/dbraw/zinc/30/63/53/1024306353.db2.gz NFEAEYIAZKLIEU-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM O=C([N-]c1ncc(C(F)(F)F)s1)c1nc(Cl)cs1 ZINC000791007800 1024420474 /nfs/dbraw/zinc/42/04/74/1024420474.db2.gz UMAWIIPHGOXVQC-UHFFFAOYSA-N -1 3 313.713 3.524 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccsc3)n2)n1 ZINC000339114318 1024567804 /nfs/dbraw/zinc/56/78/04/1024567804.db2.gz CEVIDOJVZSZKGD-IHWYPQMZSA-N -1 3 301.396 3.846 20 0 DHADHM Cc1cc(Cl)nc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001157683734 1024671203 /nfs/dbraw/zinc/67/12/03/1024671203.db2.gz CANGNIYHIYHYSL-SNVBAGLBSA-N -1 3 302.687 3.549 20 0 DHADHM Cc1cc(C)c(NC(=O)c2cc([O-])c3ccccc3c2)cc1CO ZINC000792476167 1024672592 /nfs/dbraw/zinc/67/25/92/1024672592.db2.gz NWGZTKBMOCOPDG-UHFFFAOYSA-N -1 3 321.376 3.907 20 0 DHADHM CC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000007213492 1024850291 /nfs/dbraw/zinc/85/02/91/1024850291.db2.gz NEIAXDPBJGSNKS-UHFFFAOYSA-N -1 3 322.257 3.850 20 0 DHADHM CC(C)Cc1nc(C(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000552780862 1033508051 /nfs/dbraw/zinc/50/80/51/1033508051.db2.gz UGSMXEYHGQUNLK-UHFFFAOYSA-N -1 3 310.806 3.953 20 0 DHADHM Cc1cccc2c1OCC[C@H]2NCc1c(F)ccc([O-])c1F ZINC000353152866 1024968832 /nfs/dbraw/zinc/96/88/32/1024968832.db2.gz JGFWLCVIFHALQJ-CQSZACIVSA-N -1 3 305.324 3.592 20 0 DHADHM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000263419720 1024992115 /nfs/dbraw/zinc/99/21/15/1024992115.db2.gz OKRKUGNNAZGERW-UHFFFAOYSA-N -1 3 307.390 3.851 20 0 DHADHM COc1ccccc1OCC/N=C/c1cc(Cl)ccc1[O-] ZINC000005289508 1025029494 /nfs/dbraw/zinc/02/94/94/1025029494.db2.gz YRIACHHMHXAYJK-WOJGMQOQSA-N -1 3 305.761 3.552 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)C3CCCC3)n[n-]2)o1 ZINC000353475161 1025083749 /nfs/dbraw/zinc/08/37/49/1025083749.db2.gz JRSMVOPFSUXAIX-UHFFFAOYSA-N -1 3 302.378 3.528 20 0 DHADHM O=C([N-][C@@H]1CCCc2cccnc21)C(F)(F)c1ccccc1F ZINC000885365842 1025310565 /nfs/dbraw/zinc/31/05/65/1025310565.db2.gz RNZMOUSWSCXCNY-CQSZACIVSA-N -1 3 320.314 3.506 20 0 DHADHM [O-]c1cncc(/C=C/c2nc(CC3CCC(F)(F)CC3)no2)c1 ZINC000924257719 1025390828 /nfs/dbraw/zinc/39/08/28/1025390828.db2.gz NIMYPLHOZLANSY-OWOJBTEDSA-N -1 3 321.327 3.709 20 0 DHADHM [O-]c1cccnc1CNCc1cc(C(F)(F)F)ccc1Cl ZINC000355333288 1025681148 /nfs/dbraw/zinc/68/11/48/1025681148.db2.gz JOMFACAJJSBNBJ-UHFFFAOYSA-N -1 3 316.710 3.749 20 0 DHADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c2nccc(C)c2c1 ZINC000355504060 1025747139 /nfs/dbraw/zinc/74/71/39/1025747139.db2.gz PITYOWCSLFAGCF-UHFFFAOYSA-N -1 3 307.353 3.513 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2nc3ccccc3cc2Cl)n1 ZINC000355557384 1025766535 /nfs/dbraw/zinc/76/65/35/1025766535.db2.gz ALYCCGPCWLWCAG-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cc1[O-] ZINC000664011508 1025963889 /nfs/dbraw/zinc/96/38/89/1025963889.db2.gz BJXNOPQHBUUPAB-SFHVURJKSA-N -1 3 323.392 3.818 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(-c2ccccc2)c1 ZINC000806762379 1025969687 /nfs/dbraw/zinc/96/96/87/1025969687.db2.gz CVRKUVOFPBENRV-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(-c2ccccc2)c1 ZINC000806762379 1025969693 /nfs/dbraw/zinc/96/96/93/1025969693.db2.gz CVRKUVOFPBENRV-KRWDZBQOSA-N -1 3 312.369 3.933 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1sccc1Br ZINC000089393607 1026043137 /nfs/dbraw/zinc/04/31/37/1026043137.db2.gz ASYHHTJYJGHINT-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM COc1cccc(-c2nc(C3(c4cccc(C)c4)CC3)no2)c1[O-] ZINC000290004076 1026274968 /nfs/dbraw/zinc/27/49/68/1026274968.db2.gz CWUPVXVPGBLLAD-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM COC(=O)c1cc(C)ccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000729108525 1026375477 /nfs/dbraw/zinc/37/54/77/1026375477.db2.gz UJEMEIUZWCJJHS-UHFFFAOYSA-N -1 3 315.350 3.544 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnc(C(F)(F)F)c1 ZINC000809735130 1026597399 /nfs/dbraw/zinc/59/73/99/1026597399.db2.gz XXQRQDSKSLPDSW-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(OCCOC1CCCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810545372 1026787541 /nfs/dbraw/zinc/78/75/41/1026787541.db2.gz GMGCYTCLJKKYOZ-UHFFFAOYSA-N -1 3 313.806 3.999 20 0 DHADHM COc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)nc1 ZINC000811393334 1026991662 /nfs/dbraw/zinc/99/16/62/1026991662.db2.gz FFFSLEYWVOTWTE-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM O=C(OCc1ccc(F)cn1)c1cc2cc(Cl)sc2[n-]1 ZINC000811394125 1026992515 /nfs/dbraw/zinc/99/25/15/1026992515.db2.gz XGZSUPGBFISVCO-UHFFFAOYSA-N -1 3 310.737 3.774 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000811594054 1027036727 /nfs/dbraw/zinc/03/67/27/1027036727.db2.gz KQZKYEDVQHCDGY-UHFFFAOYSA-N -1 3 315.369 3.584 20 0 DHADHM COC(=O)c1ccc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000811688718 1027066694 /nfs/dbraw/zinc/06/66/94/1027066694.db2.gz SAUZYPXOWFDOOE-DUXPYHPUSA-N -1 3 323.270 3.763 20 0 DHADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000811691098 1027067857 /nfs/dbraw/zinc/06/78/57/1027067857.db2.gz JLAXBDSNGDHOEE-JFEAUALZSA-N -1 3 304.296 3.900 20 0 DHADHM O=C([N-]c1nocc1C1CC1)c1csc(-c2ccoc2)n1 ZINC001133060313 1027113736 /nfs/dbraw/zinc/11/37/36/1027113736.db2.gz DFXQMZIYTUQJJF-UHFFFAOYSA-N -1 3 301.327 3.521 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cnc(CC(C)(C)C)s2)n1 ZINC001133192579 1027205120 /nfs/dbraw/zinc/20/51/20/1027205120.db2.gz KGVFWQKBJNFPNT-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM CSc1ccc(Cl)cc1[N-]S(=O)(=O)CCCCF ZINC000295377517 1027237033 /nfs/dbraw/zinc/23/70/33/1027237033.db2.gz SWSKBJMMWOEDAW-UHFFFAOYSA-N -1 3 311.831 3.553 20 0 DHADHM CC[C@H](C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000295402835 1027258068 /nfs/dbraw/zinc/25/80/68/1027258068.db2.gz QVOFEHMHXPYPRX-CPCISQLKSA-N -1 3 309.715 3.752 20 0 DHADHM O=C(Cc1csc2ccc(Cl)cc12)[N-]OC/C=C/Cl ZINC000812404319 1027261943 /nfs/dbraw/zinc/26/19/43/1027261943.db2.gz AMBXOPZLODJGIT-DAFODLJHSA-N -1 3 316.209 3.898 20 0 DHADHM O=C(Cc1csc2ccc(Cl)cc12)[N-]OC/C=C\Cl ZINC000812404320 1027263775 /nfs/dbraw/zinc/26/37/75/1027263775.db2.gz AMBXOPZLODJGIT-RJRFIUFISA-N -1 3 316.209 3.898 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C\Cl)c(Cl)c1 ZINC000812408324 1027283684 /nfs/dbraw/zinc/28/36/84/1027283684.db2.gz OSNGWFDPYUVEFA-CLTKARDFSA-N -1 3 318.200 3.608 20 0 DHADHM O=C(CCCc1ccc2ccccc2c1)[N-]OC/C=C/Cl ZINC000812408830 1027286589 /nfs/dbraw/zinc/28/65/89/1027286589.db2.gz WDDMNPHMBSTGTR-NYYWCZLTSA-N -1 3 303.789 3.963 20 0 DHADHM Cc1nc(C2CC2)ccc1C(=O)Nc1c([O-])cccc1Cl ZINC000573933304 1027344301 /nfs/dbraw/zinc/34/43/01/1027344301.db2.gz GEQMENBOWFZMSC-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OC1CCC1 ZINC000812788871 1027406732 /nfs/dbraw/zinc/40/67/32/1027406732.db2.gz DJHOOHVSGLHTCD-UHFFFAOYSA-N -1 3 308.230 3.978 20 0 DHADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295793179 1027430319 /nfs/dbraw/zinc/43/03/19/1027430319.db2.gz DPZCAWGQIDCODZ-KGLIPLIRSA-N -1 3 312.413 3.887 20 0 DHADHM Cc1ccc(C(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000295899362 1027482011 /nfs/dbraw/zinc/48/20/11/1027482011.db2.gz HSYNMMPCOIXPHQ-TUAOUCFPSA-N -1 3 315.335 3.892 20 0 DHADHM Cc1cc(F)ccc1[C@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000932565240 1027542961 /nfs/dbraw/zinc/54/29/61/1027542961.db2.gz OCJQAMFCBDHJJV-JTQLQIEISA-N -1 3 317.389 3.695 20 0 DHADHM CC[C@H](SC)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296262866 1027591455 /nfs/dbraw/zinc/59/14/55/1027591455.db2.gz YEPHKVSXWZWZOF-JTQLQIEISA-N -1 3 318.236 3.543 20 0 DHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000031665838 1027606909 /nfs/dbraw/zinc/60/69/09/1027606909.db2.gz MZTPYZBLCXMDIF-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1c(C)cccc1[O-] ZINC000626472349 1027659632 /nfs/dbraw/zinc/65/96/32/1027659632.db2.gz QKEOMAZZKAYYFZ-UHFFFAOYSA-N -1 3 303.427 3.857 20 0 DHADHM Cc1cc2ccccc2c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000296703810 1027714498 /nfs/dbraw/zinc/71/44/98/1027714498.db2.gz BAECLAPBUBECBW-INIZCTEOSA-N -1 3 300.358 3.728 20 0 DHADHM Cc1cc2ccccc2c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000296703810 1027714514 /nfs/dbraw/zinc/71/45/14/1027714514.db2.gz BAECLAPBUBECBW-INIZCTEOSA-N -1 3 300.358 3.728 20 0 DHADHM CC(C)O[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000296739285 1027723960 /nfs/dbraw/zinc/72/39/60/1027723960.db2.gz APYICGKAXDMYNP-STQMWFEESA-N -1 3 316.426 3.802 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000813846079 1027741585 /nfs/dbraw/zinc/74/15/85/1027741585.db2.gz FZGHATMBJYHYMF-GFCCVEGCSA-N -1 3 301.411 3.869 20 0 DHADHM CCc1nnc([N-]C(=O)c2cc3c(cccc3F)s2)s1 ZINC000007347883 1027799439 /nfs/dbraw/zinc/79/94/39/1027799439.db2.gz XPANASBGUAIMIX-UHFFFAOYSA-N -1 3 307.375 3.707 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)C(C)(C)C)c2)n1 ZINC000365348887 1027927334 /nfs/dbraw/zinc/92/73/34/1027927334.db2.gz LWZVLFJOXRBUCM-GFCCVEGCSA-N -1 3 313.401 3.778 20 0 DHADHM Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)c(C)c1 ZINC000448665199 1027962374 /nfs/dbraw/zinc/96/23/74/1027962374.db2.gz LZFVFIKINNYPKU-CQSZACIVSA-N -1 3 315.388 3.910 20 0 DHADHM CC(C)[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448691263 1027975951 /nfs/dbraw/zinc/97/59/51/1027975951.db2.gz PQNPBGWWUCRJIR-INIZCTEOSA-N -1 3 315.388 3.630 20 0 DHADHM O=S(=O)([N-]c1ccccc1F)c1cccc(C(F)F)c1 ZINC000780365076 1028011640 /nfs/dbraw/zinc/01/16/40/1028011640.db2.gz GSAYLGCQPOMORG-UHFFFAOYSA-N -1 3 301.289 3.564 20 0 DHADHM CCN(Cc1occc1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000578199457 1028090721 /nfs/dbraw/zinc/09/07/21/1028090721.db2.gz HTOZYXVSVAWIPX-GFCCVEGCSA-N -1 3 303.358 3.570 20 0 DHADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1 ZINC000578269619 1028106796 /nfs/dbraw/zinc/10/67/96/1028106796.db2.gz UOTWEPLBPSWRPF-UHFFFAOYSA-N -1 3 311.403 3.739 20 0 DHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000448892571 1028154733 /nfs/dbraw/zinc/15/47/33/1028154733.db2.gz CWONERYUSBTBFT-CYBMUJFWSA-N -1 3 315.388 3.556 20 0 DHADHM [O-]c1cccc(CNCc2ccc(-n3ccnc3)cc2)c1Cl ZINC000815119411 1028365270 /nfs/dbraw/zinc/36/52/70/1028365270.db2.gz WXTCVNJYFZWYJM-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2c(C)cc(C)cc2C)c1[O-] ZINC000579646656 1028456668 /nfs/dbraw/zinc/45/66/68/1028456668.db2.gz YTKOGZWKXRZOKB-UHFFFAOYSA-N -1 3 311.381 3.701 20 0 DHADHM CCCc1nc(CN(CC)C2CCC(C(=O)[O-])CC2)cs1 ZINC000565249790 1028564563 /nfs/dbraw/zinc/56/45/63/1028564563.db2.gz IRLNIIQVHFUGSF-UHFFFAOYSA-N -1 3 310.463 3.561 20 0 DHADHM CCN(Cc1ccc(Cl)cc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000565520198 1028598221 /nfs/dbraw/zinc/59/82/21/1028598221.db2.gz AHEBWOSKCNFBJC-LBPRGKRZSA-N -1 3 305.809 3.727 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000626637101 1028629011 /nfs/dbraw/zinc/62/90/11/1028629011.db2.gz WCHSMAPAUXDGEE-GFCCVEGCSA-N -1 3 315.335 3.751 20 0 DHADHM COC(=O)c1cc(C(=O)O[C@@H]2C[C@H](C)c3c2cccc3C)c[n-]1 ZINC000816001590 1028678665 /nfs/dbraw/zinc/67/86/65/1028678665.db2.gz WOZQJZMKGDPEKG-XHDPSFHLSA-N -1 3 313.353 3.515 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000627606523 1028784109 /nfs/dbraw/zinc/78/41/09/1028784109.db2.gz MIXOLIGFYWIPAK-MNOVXSKESA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2noc3ccccc32)c([O-])c1 ZINC000816413284 1028851171 /nfs/dbraw/zinc/85/11/71/1028851171.db2.gz XLCQARIBVZQALP-UHFFFAOYSA-N -1 3 310.353 3.587 20 0 DHADHM CCC1(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CCC1 ZINC000372696659 1028884721 /nfs/dbraw/zinc/88/47/21/1028884721.db2.gz XMCKPXINKJQJDE-UHFFFAOYSA-N -1 3 311.385 3.676 20 0 DHADHM C[C@H]1c2ccccc2OCCN1Cc1c(F)ccc([O-])c1F ZINC000816493797 1028898162 /nfs/dbraw/zinc/89/81/62/1028898162.db2.gz NPURRPNWMHIQNT-NSHDSACASA-N -1 3 305.324 3.626 20 0 DHADHM Cc1ccccc1OCCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000567510254 1028904724 /nfs/dbraw/zinc/90/47/24/1028904724.db2.gz XBHWVOGKFDFGTQ-AWEZNQCLSA-N -1 3 317.385 3.748 20 0 DHADHM [O-]c1ccc(F)c(CN2CCCO[C@H](c3ccccc3)C2)c1F ZINC000816502930 1028910656 /nfs/dbraw/zinc/91/06/56/1028910656.db2.gz WGDFKUFQEFYONH-KRWDZBQOSA-N -1 3 319.351 3.634 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2c(C)onc2C2CC2)s1 ZINC000567557734 1028917258 /nfs/dbraw/zinc/91/72/58/1028917258.db2.gz UHBKDSQLQAADQT-UHFFFAOYSA-N -1 3 320.418 3.868 20 0 DHADHM Cc1ccc(F)c(CN(C)CC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000567595457 1028926031 /nfs/dbraw/zinc/92/60/31/1028926031.db2.gz IPLRBVANGZFXQZ-QGZVFWFLSA-N -1 3 315.388 3.824 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC4CCC3CC4)nc2)n1 ZINC000567825745 1028960289 /nfs/dbraw/zinc/96/02/89/1028960289.db2.gz CCHSEJMHZMHCCK-ZUEPYMLJSA-N -1 3 324.428 3.797 20 0 DHADHM CCOc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC001135674277 1028996318 /nfs/dbraw/zinc/99/63/18/1028996318.db2.gz OENUHYDZPXQVMT-UHFFFAOYSA-N -1 3 311.381 3.922 20 0 DHADHM CC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000568060585 1028998789 /nfs/dbraw/zinc/99/87/89/1028998789.db2.gz HOKSEPJPWXAUDV-ZDUSSCGKSA-N -1 3 302.201 3.851 20 0 DHADHM CCc1ccc([C@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449885774 1029058212 /nfs/dbraw/zinc/05/82/12/1029058212.db2.gz HTDOOKXRGDVMNQ-OAHLLOKOSA-N -1 3 317.360 3.593 20 0 DHADHM CCCN(Cc1ccc(F)cc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411203274 1029064341 /nfs/dbraw/zinc/06/43/41/1029064341.db2.gz QQERPQCJYMTESB-ZDUSSCGKSA-N -1 3 303.381 3.603 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000411290849 1029093201 /nfs/dbraw/zinc/09/32/01/1029093201.db2.gz KNUUNLWGNKTKNL-KBPBESRZSA-N -1 3 322.368 3.587 20 0 DHADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(Br)ccc1[O-] ZINC000450045832 1029168864 /nfs/dbraw/zinc/16/88/64/1029168864.db2.gz HFRQJGCYLRPFTO-ATZCPNFKSA-N -1 3 310.191 3.529 20 0 DHADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])C(C)(F)F ZINC000450049894 1029173962 /nfs/dbraw/zinc/17/39/62/1029173962.db2.gz RKMBUALBJWQFFL-UHFFFAOYSA-N -1 3 322.149 3.775 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@H]1CC=CCC1 ZINC000628889014 1029176731 /nfs/dbraw/zinc/17/67/31/1029176731.db2.gz GJLVOQQRTWFDQD-AWEZNQCLSA-N -1 3 305.393 3.717 20 0 DHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817951469 1029294854 /nfs/dbraw/zinc/29/48/54/1029294854.db2.gz GLWJLBVEOBFOFS-FUHWJXTLSA-N -1 3 324.424 3.691 20 0 DHADHM Nc1ccc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c([O-])c1 ZINC000817996726 1029305285 /nfs/dbraw/zinc/30/52/85/1029305285.db2.gz GYNVGDANPSIJSN-KRWDZBQOSA-N -1 3 324.424 3.602 20 0 DHADHM Cc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000629367099 1029314090 /nfs/dbraw/zinc/31/40/90/1029314090.db2.gz FMYNJHRPHVCZLV-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@H]2CCC[C@H]21 ZINC000629374034 1029314872 /nfs/dbraw/zinc/31/48/72/1029314872.db2.gz OQVNNTMCYJSIFT-GUTXKFCHSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000629373198 1029316079 /nfs/dbraw/zinc/31/60/79/1029316079.db2.gz HSMKKEGVYOLPPR-YWPYICTPSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC000629373232 1029317277 /nfs/dbraw/zinc/31/72/77/1029317277.db2.gz KSEFKHYWPZGZHM-FIXISWKDSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@@H]2CCC[C@H]21 ZINC000629373119 1029318158 /nfs/dbraw/zinc/31/81/58/1029318158.db2.gz GLQJNIRMHJFQRT-OUCADQQQSA-N -1 3 311.784 3.554 20 0 DHADHM O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000156216883 1029413841 /nfs/dbraw/zinc/41/38/41/1029413841.db2.gz HSHORXJKVVMYHM-XBXARRHUSA-N -1 3 305.736 3.514 20 0 DHADHM CCCN(CCc1cccs1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450654853 1029599159 /nfs/dbraw/zinc/59/91/59/1029599159.db2.gz SQBXHPDGYFNKKV-UHFFFAOYSA-N -1 3 321.417 3.617 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC001136265575 1029606148 /nfs/dbraw/zinc/60/61/48/1029606148.db2.gz CUJAEJQAEBIFPS-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)Cc2ccsc2)c1 ZINC001136362884 1029754729 /nfs/dbraw/zinc/75/47/29/1029754729.db2.gz JIIWJEMIHQSPPX-SNVBAGLBSA-N -1 3 307.440 3.537 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000794849430 1029901803 /nfs/dbraw/zinc/90/18/03/1029901803.db2.gz GOSKTTWIRJIJCL-DZGCQCFKSA-N -1 3 305.418 3.599 20 0 DHADHM COC(=O)c1cnc(S[C@@H](C)c2ccc3c(c2)CCC3)[n-]1 ZINC000413005284 1029910654 /nfs/dbraw/zinc/91/06/54/1029910654.db2.gz MIPCJAXBWHLGAD-JTQLQIEISA-N -1 3 302.399 3.538 20 0 DHADHM CCc1ccc(C(=O)NCC2(c3ccccc3C)CC2)c([O-])c1 ZINC001136548006 1029952541 /nfs/dbraw/zinc/95/25/41/1029952541.db2.gz SKVDCHCSIUVWCL-UHFFFAOYSA-N -1 3 309.409 3.725 20 0 DHADHM CCN(CC)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000822337791 1030004004 /nfs/dbraw/zinc/00/40/04/1030004004.db2.gz WGTBMDFEZJNYGZ-UHFFFAOYSA-N -1 3 316.376 3.559 20 0 DHADHM CCc1cccc(C(=O)N[C@H](CC)c2nc3ccccc3[nH]2)c1[O-] ZINC001136577150 1030006550 /nfs/dbraw/zinc/00/65/50/1030006550.db2.gz YQHPHNRKLKTJAP-CQSZACIVSA-N -1 3 323.396 3.712 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000822412795 1030016831 /nfs/dbraw/zinc/01/68/31/1030016831.db2.gz HXJJMCIZWWIGRI-UHFFFAOYSA-N -1 3 306.387 3.652 20 0 DHADHM CC(=O)c1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1[O-] ZINC001136599254 1030064162 /nfs/dbraw/zinc/06/41/62/1030064162.db2.gz CLEJYTHCGBRWFK-UHFFFAOYSA-N -1 3 303.402 3.684 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1C1CCCC1 ZINC000290578081 1030112433 /nfs/dbraw/zinc/11/24/33/1030112433.db2.gz ZERYFQTZAJBLKE-UHFFFAOYSA-N -1 3 319.792 3.918 20 0 DHADHM COc1cccc(-c2noc([N-][C@H](C)c3cnc(C)s3)n2)c1 ZINC000866055919 1030117721 /nfs/dbraw/zinc/11/77/21/1030117721.db2.gz KKRUGHKHYAIMQC-SECBINFHSA-N -1 3 316.386 3.683 20 0 DHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccn1 ZINC000866061357 1030117873 /nfs/dbraw/zinc/11/78/73/1030117873.db2.gz QKXFTWBDUMEBAC-CYBMUJFWSA-N -1 3 308.303 3.580 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2conc2C(F)(F)F)n1 ZINC000823215970 1030232294 /nfs/dbraw/zinc/23/22/94/1030232294.db2.gz SLLHWUDYXLSFHK-UHFFFAOYSA-N -1 3 319.308 3.700 20 0 DHADHM CCc1ccc([C@H](COC)N[C@H](C)c2cc([O-])cc(F)c2)o1 ZINC000925146741 1030286514 /nfs/dbraw/zinc/28/65/14/1030286514.db2.gz PNRKICSKGIACQF-BZNIZROVSA-N -1 3 307.365 3.725 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000558067103 1030406799 /nfs/dbraw/zinc/40/67/99/1030406799.db2.gz WZFUQMJPGOZBEJ-ZDUSSCGKSA-N -1 3 311.381 3.721 20 0 DHADHM CSCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136843312 1030513679 /nfs/dbraw/zinc/51/36/79/1030513679.db2.gz MIJCAMVNIXXYCC-UHFFFAOYSA-N -1 3 317.410 3.667 20 0 DHADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)C1=CCCCC1 ZINC000358643478 1030570521 /nfs/dbraw/zinc/57/05/21/1030570521.db2.gz BTUYAFMCISRGGZ-UHFFFAOYSA-N -1 3 324.424 3.785 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cnn(CC2CCCC2)c1 ZINC000868566977 1030604415 /nfs/dbraw/zinc/60/44/15/1030604415.db2.gz LQEGKGNHNPJEAF-UHFFFAOYSA-N -1 3 319.792 3.685 20 0 DHADHM [O-]c1ccc(Nc2nc(F)ccc2Br)c(F)c1F ZINC001212003023 1030631554 /nfs/dbraw/zinc/63/15/54/1030631554.db2.gz NZHDGOFAXXROCK-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1cc(=O)oc2cc(Nc3ccc([O-])c(F)c3F)ccc12 ZINC001212007518 1030643648 /nfs/dbraw/zinc/64/36/48/1030643648.db2.gz KYKZBJCCLJDHPU-UHFFFAOYSA-N -1 3 303.264 3.829 20 0 DHADHM CCOC(=O)c1ccc(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212009436 1030650486 /nfs/dbraw/zinc/65/04/86/1030650486.db2.gz NXXJMZVDPBHDRM-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COCCOc1ccc(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212009880 1030651009 /nfs/dbraw/zinc/65/10/09/1030651009.db2.gz WLPAEDUOQNFSPY-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CCOC(=O)Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212010879 1030653463 /nfs/dbraw/zinc/65/34/63/1030653463.db2.gz FBKRCQLKATWRBJ-UHFFFAOYSA-N -1 3 308.284 3.982 20 0 DHADHM [O-]c1ccc(Nc2ccccc2OC2CCOCC2)c(F)c1F ZINC001212013928 1030661463 /nfs/dbraw/zinc/66/14/63/1030661463.db2.gz QCGXSYDYCDQXFI-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM O=C(OCc1coc(C2CC2)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000869340297 1030749432 /nfs/dbraw/zinc/74/94/32/1030749432.db2.gz CHYVHCPTUOYNHQ-UHFFFAOYSA-N -1 3 301.129 3.544 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)C2CCC(F)(F)CC2)c1 ZINC000614892392 1030831320 /nfs/dbraw/zinc/83/13/20/1030831320.db2.gz MZKGOBCNQUJTOC-UHFFFAOYSA-N -1 3 315.385 3.764 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)c1[O-] ZINC000843889210 1030884820 /nfs/dbraw/zinc/88/48/20/1030884820.db2.gz LPJBKGPTFHSUOV-CYBMUJFWSA-N -1 3 316.184 3.507 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2oc(CCC)nc2C)s1 ZINC000292464772 1031013412 /nfs/dbraw/zinc/01/34/12/1031013412.db2.gz KFZLVQMVIUVNPG-UHFFFAOYSA-N -1 3 322.434 3.772 20 0 DHADHM O=C(NCC[C@@H]1CCCS1)c1cc([O-])c2ccccc2c1 ZINC000871036387 1031128775 /nfs/dbraw/zinc/12/87/75/1031128775.db2.gz ZNFHBSPFVSHFPW-AWEZNQCLSA-N -1 3 301.411 3.561 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1nnc2ccccc2n1 ZINC000343779943 1031149752 /nfs/dbraw/zinc/14/97/52/1031149752.db2.gz LXRQEMXCOZJMGG-UHFFFAOYSA-N -1 3 324.409 3.778 20 0 DHADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000292745713 1031155754 /nfs/dbraw/zinc/15/57/54/1031155754.db2.gz QQPWUNYKEISYBR-OAHLLOKOSA-N -1 3 319.445 3.935 20 0 DHADHM O=C([N-]OCCCC(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000871210360 1031159991 /nfs/dbraw/zinc/15/99/91/1031159991.db2.gz GDCJEMXOTWHWMI-UHFFFAOYSA-N -1 3 305.340 3.593 20 0 DHADHM C[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1cccc(F)c1 ZINC000871213505 1031162543 /nfs/dbraw/zinc/16/25/43/1031162543.db2.gz QTADGJQQZAXTKI-JTQLQIEISA-N -1 3 307.287 3.710 20 0 DHADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCCCC(F)(F)F ZINC000871213250 1031162863 /nfs/dbraw/zinc/16/28/63/1031162863.db2.gz NJQBXLSCHADMSC-ZDUSSCGKSA-N -1 3 315.335 3.887 20 0 DHADHM C[C@@H](CCc1ccc(F)cc1)C(=O)[N-]OCCCC(F)(F)F ZINC000871218082 1031166445 /nfs/dbraw/zinc/16/64/45/1031166445.db2.gz FMWLUJVCLNGBIF-NSHDSACASA-N -1 3 321.314 3.785 20 0 DHADHM CC[C@H](OCCSCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000844641812 1031278242 /nfs/dbraw/zinc/27/82/42/1031278242.db2.gz FWWHHRWOAQFVKH-HNNXBMFYSA-N -1 3 318.442 3.892 20 0 DHADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC000872019211 1031402690 /nfs/dbraw/zinc/40/26/90/1031402690.db2.gz UOZLGYASBIABFA-VXGBXAGGSA-N -1 3 317.360 3.714 20 0 DHADHM COc1ccc(C)cc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000928966541 1031414462 /nfs/dbraw/zinc/41/44/62/1031414462.db2.gz KRTFKEWDQPFMFD-UHFFFAOYSA-N -1 3 314.168 3.996 20 0 DHADHM CCCCn1cc(CN[C@H](C)c2cccc([O-])c2F)c(C)n1 ZINC000872054341 1031443728 /nfs/dbraw/zinc/44/37/28/1031443728.db2.gz UBXSHSXKYCPEGP-CYBMUJFWSA-N -1 3 305.397 3.687 20 0 DHADHM CC(C)(O)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293399862 1031459002 /nfs/dbraw/zinc/45/90/02/1031459002.db2.gz XXVYRLDDFFLYFP-UHFFFAOYSA-N -1 3 305.805 3.563 20 0 DHADHM CCSc1cc(CN[C@H](C)c2cccc([O-])c2F)ccn1 ZINC000872064497 1031461158 /nfs/dbraw/zinc/46/11/58/1031461158.db2.gz HNIBSLZMCFDLIW-LLVKDONJSA-N -1 3 306.406 3.889 20 0 DHADHM COC[C@H](N[C@H](C)c1cccc([O-])c1F)c1cccc(OC)c1 ZINC000872084570 1031481056 /nfs/dbraw/zinc/48/10/56/1031481056.db2.gz HACJBUUNWGKBIZ-WBMJQRKESA-N -1 3 319.376 3.578 20 0 DHADHM O=C([O-])c1cc(CN2CCC(c3ccc(F)cc3)CC2)cs1 ZINC000872163282 1031544379 /nfs/dbraw/zinc/54/43/79/1031544379.db2.gz CGWWRCJBUQAMMC-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM CC(C)CCc1nc(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)cs1 ZINC000872169753 1031546672 /nfs/dbraw/zinc/54/66/72/1031546672.db2.gz VXFQCHRJAPVFKT-WMLDXEAASA-N -1 3 322.474 3.561 20 0 DHADHM CCCN(CCc1ccccn1)Cc1c(F)ccc([O-])c1F ZINC000293922975 1031696314 /nfs/dbraw/zinc/69/63/14/1031696314.db2.gz MSMPCGYJWJNFJV-UHFFFAOYSA-N -1 3 306.356 3.520 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000561157969 1031753587 /nfs/dbraw/zinc/75/35/87/1031753587.db2.gz GOASOELDMWRHSN-ABAIWWIYSA-N -1 3 316.426 3.572 20 0 DHADHM Cc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c2ccccc12 ZINC001144632841 1031779681 /nfs/dbraw/zinc/77/96/81/1031779681.db2.gz RZHFAIFKSMLZFN-UHFFFAOYSA-N -1 3 323.367 3.852 20 0 DHADHM CCOC(=O)c1ncc(NC(=O)CCCCCC(C)(C)C)[n-]1 ZINC001144678712 1031824011 /nfs/dbraw/zinc/82/40/11/1031824011.db2.gz IDGGPCJMSARMCK-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM CCOC(=O)c1nc(NC(=O)CCCCCC(C)(C)C)c[n-]1 ZINC001144678712 1031824018 /nfs/dbraw/zinc/82/40/18/1031824018.db2.gz IDGGPCJMSARMCK-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000846348157 1031964547 /nfs/dbraw/zinc/96/45/47/1031964547.db2.gz VDBKQDUMJQOTPP-NVXWUHKLSA-N -1 3 315.438 3.949 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000930940471 1031990729 /nfs/dbraw/zinc/99/07/29/1031990729.db2.gz WNIOAWZOKFNZBO-UHFFFAOYSA-N -1 3 319.670 3.611 20 0 DHADHM CCCCCC[C@@](C)(CCC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898263162 1032009711 /nfs/dbraw/zinc/00/97/11/1032009711.db2.gz SXTRNDPTPAGJPZ-GOSISDBHSA-N -1 3 321.465 3.884 20 0 DHADHM O=C(CCc1ncc(-c2ccccc2)o1)[N-]OC1CCCCC1 ZINC000777960468 1032045965 /nfs/dbraw/zinc/04/59/65/1032045965.db2.gz WXKSRPBYFGHPQX-UHFFFAOYSA-N -1 3 314.385 3.655 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CCCC34CC4)c2)n1 ZINC000860568053 1033416287 /nfs/dbraw/zinc/41/62/87/1033416287.db2.gz CZUCYBLZUQTJNR-OAHLLOKOSA-N -1 3 324.380 3.643 20 0 DHADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000151331663 1033435133 /nfs/dbraw/zinc/43/51/33/1033435133.db2.gz LGIJJSUEUPFMEE-ZDUSSCGKSA-N -1 3 316.401 3.632 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888019124 1033464207 /nfs/dbraw/zinc/46/42/07/1033464207.db2.gz KJBJLUIBAMCBSS-SECBINFHSA-N -1 3 315.316 3.631 20 0 DHADHM [O-]c1cccc2sc(Nc3ccc(Cn4ccnc4)cc3)nc21 ZINC001212692343 1033486196 /nfs/dbraw/zinc/48/61/96/1033486196.db2.gz OAAAZIITKSJVHD-UHFFFAOYSA-N -1 3 322.393 3.990 20 0 DHADHM [O-]c1cncc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 ZINC001212708311 1033569622 /nfs/dbraw/zinc/56/96/22/1033569622.db2.gz DBDWOHXKVPUCHA-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1C(F)(F)F ZINC001212708701 1033571297 /nfs/dbraw/zinc/57/12/97/1033571297.db2.gz PMXFXNFGRCVTLW-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM C[C@@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)[C@H]1c1ccccc1 ZINC000878166340 1033606416 /nfs/dbraw/zinc/60/64/16/1033606416.db2.gz RRBGRIAQMFPQQN-FZKQIMNGSA-N -1 3 321.380 3.635 20 0 DHADHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc([C@@H](C)CC)c1 ZINC000861317142 1033633588 /nfs/dbraw/zinc/63/35/88/1033633588.db2.gz OQDCMNWTDWPZSS-LBPRGKRZSA-N -1 3 322.405 3.595 20 0 DHADHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000861317142 1033633592 /nfs/dbraw/zinc/63/35/92/1033633592.db2.gz OQDCMNWTDWPZSS-LBPRGKRZSA-N -1 3 322.405 3.595 20 0 DHADHM CCc1ccc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000479463018 1033764372 /nfs/dbraw/zinc/76/43/72/1033764372.db2.gz JBVUZAJBWXMZCT-UHFFFAOYSA-N -1 3 324.384 3.507 20 0 DHADHM C[C@@H]1C[C@@H]1N(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878709633 1033803900 /nfs/dbraw/zinc/80/39/00/1033803900.db2.gz PWFKVTYTTMFRGV-CJNGLKHVSA-N -1 3 321.380 3.857 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000667576441 1033958276 /nfs/dbraw/zinc/95/82/76/1033958276.db2.gz MHWVBZZKEGXAAG-CQSZACIVSA-N -1 3 313.422 3.744 20 0 DHADHM Cc1ccc2ccccc2c1CSc1nc2nncc-2c(O)[n-]1 ZINC000480038347 1034019349 /nfs/dbraw/zinc/01/93/49/1034019349.db2.gz MGNZKYOZJKVLMV-UHFFFAOYSA-N -1 3 322.393 3.812 20 0 DHADHM O=c1cc(Nc2cnc3ccccc3c2)[n-]n1-c1ccccc1 ZINC001174000783 1034030076 /nfs/dbraw/zinc/03/00/76/1034030076.db2.gz JNUBGQXQPFFQTR-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863235209 1034037826 /nfs/dbraw/zinc/03/78/26/1034037826.db2.gz LXNFIIIREFWYFA-YESZJQIVSA-N -1 3 307.393 3.576 20 0 DHADHM O=C(c1ccc(Nc2c(F)cc([O-])cc2F)cc1)N1CCCC1 ZINC001174069400 1034128150 /nfs/dbraw/zinc/12/81/50/1034128150.db2.gz MRHZNASUYOUKES-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174128342 1034152907 /nfs/dbraw/zinc/15/29/07/1034152907.db2.gz RGMIHZQKMVSINA-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174150369 1034175546 /nfs/dbraw/zinc/17/55/46/1034175546.db2.gz TYLGQUPESMSWNQ-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174151078 1034177731 /nfs/dbraw/zinc/17/77/31/1034177731.db2.gz WVNCARGGUKLTSY-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM O=C(c1cccc(Nc2ccc([O-])c(F)c2F)c1)N1CCCC1 ZINC001174170690 1034193240 /nfs/dbraw/zinc/19/32/40/1034193240.db2.gz YTKCTQUNDZFVNY-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM O=C(c1cccc(Nc2cc([O-])c(F)cc2F)c1)N1CCCC1 ZINC001174171215 1034196566 /nfs/dbraw/zinc/19/65/66/1034196566.db2.gz NWXQPUUGCOSZFH-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CSCCCCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000863898032 1034216263 /nfs/dbraw/zinc/21/62/63/1034216263.db2.gz GRWZOWAZIXOGKP-UHFFFAOYSA-N -1 3 322.434 3.625 20 0 DHADHM O=c1cc(Nc2ccc(C(F)(F)F)nc2)n(C2CCCC2)[n-]1 ZINC001174310077 1034279117 /nfs/dbraw/zinc/27/91/17/1034279117.db2.gz WXWFPVRWKNKPHV-UHFFFAOYSA-N -1 3 312.295 3.861 20 0 DHADHM CN(C)c1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000842180469 1034284459 /nfs/dbraw/zinc/28/44/59/1034284459.db2.gz NHNKRFYEMNGNDA-UHFFFAOYSA-N -1 3 315.442 3.559 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccccc1OC ZINC000864528142 1034375763 /nfs/dbraw/zinc/37/57/63/1034375763.db2.gz MDLFAZFPFIDCCV-QGZVFWFLSA-N -1 3 313.397 3.563 20 0 DHADHM CC(C)(O)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001174404902 1034391938 /nfs/dbraw/zinc/39/19/38/1034391938.db2.gz HBPLVPXGEDNGNF-UHFFFAOYSA-N -1 3 300.383 3.973 20 0 DHADHM CC(F)(F)c1c(F)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000880733749 1034417435 /nfs/dbraw/zinc/41/74/35/1034417435.db2.gz VXYYAQGWDNCBHQ-LLVKDONJSA-N -1 3 318.295 3.517 20 0 DHADHM CC(F)(F)c1c(F)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000880733749 1034417446 /nfs/dbraw/zinc/41/74/46/1034417446.db2.gz VXYYAQGWDNCBHQ-LLVKDONJSA-N -1 3 318.295 3.517 20 0 DHADHM CCOc1c(Cl)cc(Nc2cnc[n-]c2=O)cc1Cl ZINC001174533280 1034448354 /nfs/dbraw/zinc/44/83/54/1034448354.db2.gz DKAGIOHYNZRPOB-UHFFFAOYSA-N -1 3 300.145 3.631 20 0 DHADHM Cn1ccc2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc21 ZINC001174519477 1034476457 /nfs/dbraw/zinc/47/64/57/1034476457.db2.gz NYXZYRHMTHMQKD-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174520499 1034476559 /nfs/dbraw/zinc/47/65/59/1034476559.db2.gz VXSUTKDYLINSJJ-UHFFFAOYSA-N -1 3 305.765 3.931 20 0 DHADHM Cc1cnc(F)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000864968872 1034487007 /nfs/dbraw/zinc/48/70/07/1034487007.db2.gz CBCKAMJLMSTEEY-UHFFFAOYSA-N -1 3 320.393 3.681 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2c(Cl)cncc2Cl)n1 ZINC000865278848 1034578674 /nfs/dbraw/zinc/57/86/74/1034578674.db2.gz PFQFKUUFQVDNGD-UHFFFAOYSA-N -1 3 316.213 3.626 20 0 DHADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H](c2ccsc2)O1 ZINC000186251769 1034613317 /nfs/dbraw/zinc/61/33/17/1034613317.db2.gz AEXSGGSZHMSKGS-MEDUHNTESA-N -1 3 307.390 3.555 20 0 DHADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)CC(F)F ZINC000881539133 1034625972 /nfs/dbraw/zinc/62/59/72/1034625972.db2.gz KRBGBQKFQBPEAI-UHFFFAOYSA-N -1 3 317.351 3.652 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001153614938 1034648924 /nfs/dbraw/zinc/64/89/24/1034648924.db2.gz OJANOHMAKKERJV-SNVBAGLBSA-N -1 3 307.752 3.984 20 0 DHADHM COc1ccc(Nc2ccc([O-])c(Cl)c2)c(OC)c1OC ZINC001174900877 1034669989 /nfs/dbraw/zinc/66/99/89/1034669989.db2.gz GRZJZPCPYQCZAP-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CC(C)OC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174915251 1034678984 /nfs/dbraw/zinc/67/89/84/1034678984.db2.gz BLEARVSGWHFLQB-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC001174992682 1034721228 /nfs/dbraw/zinc/72/12/28/1034721228.db2.gz KKHFQLBWPVTQJX-UHFFFAOYSA-N -1 3 315.800 3.861 20 0 DHADHM CCOc1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1F ZINC001175037369 1034763607 /nfs/dbraw/zinc/76/36/07/1034763607.db2.gz PLIULVNNJUZROP-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM COC(=O)CCCc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099439 1034779964 /nfs/dbraw/zinc/77/99/64/1034779964.db2.gz GYYHFOMGPZYYOM-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(OC3CCOCC3)cc2)c(F)c1 ZINC001175099765 1034780851 /nfs/dbraw/zinc/78/08/51/1034780851.db2.gz RVRWDUPQYUZZQT-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM CC1(C)C(=O)Nc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175100101 1034780934 /nfs/dbraw/zinc/78/09/34/1034780934.db2.gz VKZDNHHXTOCWKG-UHFFFAOYSA-N -1 3 304.296 3.644 20 0 DHADHM O=C1c2c(cccc2Nc2c(F)cc([O-])cc2F)CN1C1CC1 ZINC001175101978 1034783628 /nfs/dbraw/zinc/78/36/28/1034783628.db2.gz BQMLPYLBLLPCNP-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000192725062 1034816105 /nfs/dbraw/zinc/81/61/05/1034816105.db2.gz LLKKNUZDMSXFPS-ZIAGYGMSSA-N -1 3 315.417 3.690 20 0 DHADHM COc1ccc(F)c([N-]c2cc(-c3ccccn3)no2)c1F ZINC001175118244 1034821121 /nfs/dbraw/zinc/82/11/21/1034821121.db2.gz XBPXYWJUOPHZHC-UHFFFAOYSA-N -1 3 303.268 3.767 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(O)cc(F)c2)CC)n1 ZINC000193617881 1034849233 /nfs/dbraw/zinc/84/92/33/1034849233.db2.gz UXYQYFSYCHFYFH-SDQBBNPISA-N -1 3 302.349 3.518 20 0 DHADHM COc1ccc(OCc2ccccc2)c(Nc2cnc[n-]c2=O)c1 ZINC001175293976 1034903309 /nfs/dbraw/zinc/90/33/09/1034903309.db2.gz LXWTYJCHZHJEEP-UHFFFAOYSA-N -1 3 323.352 3.513 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncc(C(F)(F)F)cc2F)c1F ZINC001175262508 1034911930 /nfs/dbraw/zinc/91/19/30/1034911930.db2.gz HQIJRUIGKAYFRX-UHFFFAOYSA-N -1 3 308.181 3.967 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnccc2Br)c1F ZINC001175263199 1034912024 /nfs/dbraw/zinc/91/20/24/1034912024.db2.gz GXHKYCMVAKFBML-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM COc1cccc2cc(Nc3c(F)ccc([O-])c3F)cnc21 ZINC001175266764 1034913539 /nfs/dbraw/zinc/91/35/39/1034913539.db2.gz ZXTAYCZWRPSQBA-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COc1cccc2ncc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175266161 1034914152 /nfs/dbraw/zinc/91/41/52/1034914152.db2.gz PDGHDXGGJADLBM-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc3cc(C4CCC4)nn3c2)c1F ZINC001175266152 1034914890 /nfs/dbraw/zinc/91/48/90/1034914890.db2.gz OOLRJDCQWHYXIT-UHFFFAOYSA-N -1 3 316.311 3.724 20 0 DHADHM Cc1cn(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2)cn1 ZINC001175265326 1034915093 /nfs/dbraw/zinc/91/50/93/1034915093.db2.gz LSYVECJTZIBFAE-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM COC(=O)c1c(C)ccc(Nc2c(F)ccc([O-])c2F)c1F ZINC001175270894 1034915747 /nfs/dbraw/zinc/91/57/47/1034915747.db2.gz NGHRMVOLMVJBBL-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM COC(=O)c1c(C)c(Nc2c(F)ccc([O-])c2F)ccc1F ZINC001175269096 1034916227 /nfs/dbraw/zinc/91/62/27/1034916227.db2.gz BJFARUOYKHJOCF-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM Nc1ccc(OC(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175270034 1034916760 /nfs/dbraw/zinc/91/67/60/1034916760.db2.gz SWOLILIMKFBWTA-UHFFFAOYSA-N -1 3 320.217 3.895 20 0 DHADHM CCOC(=O)Cc1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175271591 1034917737 /nfs/dbraw/zinc/91/77/37/1034917737.db2.gz WRHVVFORJOUCQV-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM COC(=O)c1c([N-]c2cncs2)scc1C(F)(F)F ZINC001175495745 1035002952 /nfs/dbraw/zinc/00/29/52/1035002952.db2.gz RTFGVOYAIIYKLA-UHFFFAOYSA-N -1 3 308.306 3.754 20 0 DHADHM Cc1cccc2sc(Nc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC001175422200 1034976491 /nfs/dbraw/zinc/97/64/91/1034976491.db2.gz GCLZDYOASLAFRQ-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Cc1nc2c(F)cccc2cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427572 1034978301 /nfs/dbraw/zinc/97/83/01/1034978301.db2.gz MYQPLNMUOSQZEN-UHFFFAOYSA-N -1 3 320.331 3.606 20 0 DHADHM Clc1ccc2ncc(Nc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC001175427827 1034978841 /nfs/dbraw/zinc/97/88/41/1034978841.db2.gz QMUMBJQCZHMRMC-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC001175429873 1034979205 /nfs/dbraw/zinc/97/92/05/1034979205.db2.gz SVASCFKWMXFAQL-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM Fc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175430782 1034980498 /nfs/dbraw/zinc/98/04/98/1034980498.db2.gz YHVLIQCJUVOBMI-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC001175432314 1034980635 /nfs/dbraw/zinc/98/06/35/1034980635.db2.gz ZYDURNSCNUKHJW-UHFFFAOYSA-N -1 3 317.352 3.772 20 0 DHADHM CC(C)n1ncc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175432101 1034981156 /nfs/dbraw/zinc/98/11/56/1034981156.db2.gz USPUSUXYFUSWCW-UHFFFAOYSA-N -1 3 319.372 3.541 20 0 DHADHM CCN1CCN(c2ccc(Nc3ccccc3[S-])cc2)CC1 ZINC001175781655 1035119095 /nfs/dbraw/zinc/11/90/95/1035119095.db2.gz XKIINEJBLITYBG-UHFFFAOYSA-N -1 3 313.470 3.861 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC000568074059 1035180530 /nfs/dbraw/zinc/18/05/30/1035180530.db2.gz VGWASXMTFSKRGJ-OTYXRUKQSA-N -1 3 302.201 3.536 20 0 DHADHM CC(C)(C)c1csc(CNC2CCC(CC(=O)[O-])CC2)n1 ZINC000902229168 1035205505 /nfs/dbraw/zinc/20/55/05/1035205505.db2.gz XVWWWPXEMKSBRV-UHFFFAOYSA-N -1 3 310.463 3.564 20 0 DHADHM CN(C)[C@H]1CCOc2c(Nc3csc(C(=O)[O-])c3)cccc21 ZINC001176440063 1035265279 /nfs/dbraw/zinc/26/52/79/1035265279.db2.gz FGAANPGYZMLBQA-ZDUSSCGKSA-N -1 3 318.398 3.575 20 0 DHADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC001176400796 1035266782 /nfs/dbraw/zinc/26/67/82/1035266782.db2.gz CVONORRMGSTDCL-UHFFFAOYSA-N -1 3 303.793 3.740 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC2CCC1CC2 ZINC000483414326 1035267567 /nfs/dbraw/zinc/26/75/67/1035267567.db2.gz HXMBPXQWFPKQRL-ZBCRRDGASA-N -1 3 305.393 3.549 20 0 DHADHM [O-]c1ccc(Nc2cc(F)cc(N3CCOCC3)c2)cc1Cl ZINC001176501585 1035281749 /nfs/dbraw/zinc/28/17/49/1035281749.db2.gz WEDTZAWKNSZOOS-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM [O-]c1cccc2sc(Nc3cccnc3N3CCCC3)nc21 ZINC001176742908 1035321729 /nfs/dbraw/zinc/32/17/29/1035321729.db2.gz BYOFGHPAPIZTCL-UHFFFAOYSA-N -1 3 312.398 3.741 20 0 DHADHM CCC[C@H](CNCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000903997068 1035338323 /nfs/dbraw/zinc/33/83/23/1035338323.db2.gz MZXIHDRKPGZEPY-CYBMUJFWSA-N -1 3 304.415 3.515 20 0 DHADHM CCO[C@@H](c1noc(Cc2ccc([O-])c(F)c2)n1)C1CCCC1 ZINC000904139195 1035372498 /nfs/dbraw/zinc/37/24/98/1035372498.db2.gz GZCLMHZUBRENNR-MRXNPFEDSA-N -1 3 320.364 3.773 20 0 DHADHM N[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCCCC1 ZINC000904691098 1035440970 /nfs/dbraw/zinc/44/09/70/1035440970.db2.gz WIJHXXXFGFUAGO-CQSZACIVSA-N -1 3 305.353 3.552 20 0 DHADHM CC(C)CCN(CCC(C)C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436759577 1035496225 /nfs/dbraw/zinc/49/62/25/1035496225.db2.gz CAHDKCYEAQODOH-UHFFFAOYSA-N -1 3 321.417 3.655 20 0 DHADHM C[C@@H]1CCCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193734735 1035709605 /nfs/dbraw/zinc/70/96/05/1035709605.db2.gz IAUZCEPFQYYNMP-SNVBAGLBSA-N -1 3 301.308 3.673 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001193937644 1035764482 /nfs/dbraw/zinc/76/44/82/1035764482.db2.gz XMVYIFJVKYFYLN-UHFFFAOYSA-N -1 3 319.360 3.910 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CCc3cc(C)cc(C)c3)n[n-]2)o1 ZINC000539721438 1035836399 /nfs/dbraw/zinc/83/63/99/1035836399.db2.gz MAOJFLJGBLOIMP-UHFFFAOYSA-N -1 3 324.384 3.561 20 0 DHADHM CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001181177424 1035857624 /nfs/dbraw/zinc/85/76/24/1035857624.db2.gz OVBDDLUQRUDDMD-UHFFFAOYSA-N -1 3 315.344 3.695 20 0 DHADHM O=C([N-]c1nsc2ncccc12)c1ccc(C(F)(F)F)o1 ZINC001194404992 1035923082 /nfs/dbraw/zinc/92/30/82/1035923082.db2.gz HZMUXMTYIICVTO-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM C[C@@H](CC(=O)Nc1ncccc1[O-])Sc1ccc(Cl)cc1 ZINC001181767472 1035986708 /nfs/dbraw/zinc/98/67/08/1035986708.db2.gz YLPDAPZFSQGYGK-JTQLQIEISA-N -1 3 322.817 3.950 20 0 DHADHM CC[C@@H](C)COC(=O)Nc1cc(Br)ccc1[O-] ZINC001194800582 1036035130 /nfs/dbraw/zinc/03/51/30/1036035130.db2.gz LFAASRZOUPRILL-MRVPVSSYSA-N -1 3 302.168 3.749 20 0 DHADHM CC[C@H](C)COC(=O)Nc1c([O-])cccc1Br ZINC001194800645 1036036040 /nfs/dbraw/zinc/03/60/40/1036036040.db2.gz MPTNFKVCKXTGFN-QMMMGPOBSA-N -1 3 302.168 3.749 20 0 DHADHM O=c1cc(C=CC=Cc2ccc(F)cc2F)nc(C2CC2)[n-]1 ZINC000485983500 1036069918 /nfs/dbraw/zinc/06/99/18/1036069918.db2.gz MNXCETHPVINNIX-ZPUQHVIOSA-N -1 3 300.308 3.652 20 0 DHADHM Cc1nc2ccccc2c(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000540567115 1036100209 /nfs/dbraw/zinc/10/02/09/1036100209.db2.gz XDFDVBLJDUNCFF-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM CC[C@@H](C)OC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001195121371 1036142027 /nfs/dbraw/zinc/14/20/27/1036142027.db2.gz FJWQMMVVWBRHCQ-MRVPVSSYSA-N -1 3 302.168 3.810 20 0 DHADHM O=C(NCCc1ccsc1)c1cc2sccc2c([O-])c1 ZINC000774069154 1036149439 /nfs/dbraw/zinc/14/94/39/1036149439.db2.gz OEKMESPVCJAQEY-UHFFFAOYSA-N -1 3 303.408 3.641 20 0 DHADHM CC(C)(C(=O)Nc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000541237519 1036270930 /nfs/dbraw/zinc/27/09/30/1036270930.db2.gz MGPGEHOBHBQUNF-UHFFFAOYSA-N -1 3 324.302 3.722 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCOC2(CCCC2)C1 ZINC000908415783 1036404936 /nfs/dbraw/zinc/40/49/36/1036404936.db2.gz YGAMFDGUXCBMOG-LLVKDONJSA-N -1 3 309.793 3.724 20 0 DHADHM CCC1(CC)CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000486791297 1036408787 /nfs/dbraw/zinc/40/87/87/1036408787.db2.gz PTJQDQCBBFLISZ-UHFFFAOYSA-N -1 3 308.397 3.643 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](CC)CNc2ccccc2)c([O-])c1 ZINC001183507475 1036614890 /nfs/dbraw/zinc/61/48/90/1036614890.db2.gz DCOOFSUUSSFZQR-HNNXBMFYSA-N -1 3 312.413 3.575 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc2ccccc2c1 ZINC000067124782 1036690756 /nfs/dbraw/zinc/69/07/56/1036690756.db2.gz CCBTXKDWRURWTM-UHFFFAOYSA-N -1 3 319.332 3.919 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC(C)(F)CC2)c([O-])c1 ZINC001184090800 1036737130 /nfs/dbraw/zinc/73/71/30/1036737130.db2.gz JQSMHVCKAVEHOU-UHFFFAOYSA-N -1 3 309.381 3.535 20 0 DHADHM O=C([N-][C@@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1 ZINC000762386714 1036738129 /nfs/dbraw/zinc/73/81/29/1036738129.db2.gz PQFJXRJOYWTVDF-CYBMUJFWSA-N -1 3 323.726 3.682 20 0 DHADHM COc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000234961723 1036858775 /nfs/dbraw/zinc/85/87/75/1036858775.db2.gz GXRZOAHZLAKADQ-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1ncc(Cl)s1 ZINC000774756190 1036896321 /nfs/dbraw/zinc/89/63/21/1036896321.db2.gz BMSXZSJICKIDGW-UHFFFAOYSA-N -1 3 302.827 3.705 20 0 DHADHM C[C@H](CCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000235461565 1036902127 /nfs/dbraw/zinc/90/21/27/1036902127.db2.gz DHDZAGVEVVYQJA-GFCCVEGCSA-N -1 3 303.789 3.797 20 0 DHADHM Cc1cc(CN(C)C)cc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775791899 1036904575 /nfs/dbraw/zinc/90/45/75/1036904575.db2.gz IKRGMYIBTBPGBD-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM O=C(Nc1cncc([O-])c1)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184657901 1036923358 /nfs/dbraw/zinc/92/33/58/1036923358.db2.gz OIBLSYNUSJASSJ-UHFFFAOYSA-N -1 3 310.344 3.722 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC(C)(C)c2nc(C)cs2)c1 ZINC000668838501 1036931402 /nfs/dbraw/zinc/93/14/02/1036931402.db2.gz CTLNNIYPTKBWKO-UHFFFAOYSA-N -1 3 322.455 3.544 20 0 DHADHM O=C1[N-]C(=O)/C(=C\c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000761477528 1036957490 /nfs/dbraw/zinc/95/74/90/1036957490.db2.gz MHXHJJGFDCIAOX-XFFZJAGNSA-N -1 3 323.295 3.578 20 0 DHADHM C=CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001198608865 1037082009 /nfs/dbraw/zinc/08/20/09/1037082009.db2.gz IEHTXKMJGIRUJU-UHFFFAOYSA-N -1 3 319.226 3.609 20 0 DHADHM Cc1ccc(CNC(=O)Nc2nc3c(cccc3[O-])s2)cc1 ZINC001185362129 1037110934 /nfs/dbraw/zinc/11/09/34/1037110934.db2.gz QRFVLEQOYVIITN-UHFFFAOYSA-N -1 3 313.382 3.632 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(Cl)n1 ZINC001198827505 1037134353 /nfs/dbraw/zinc/13/43/53/1037134353.db2.gz WIXGRJLRXDMGLG-UHFFFAOYSA-N -1 3 322.773 3.590 20 0 DHADHM Cc1ccc2oc(S[C@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC000488814813 1037147189 /nfs/dbraw/zinc/14/71/89/1037147189.db2.gz KVTGVSDEPOCBLK-SNVBAGLBSA-N -1 3 301.371 3.794 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000350203212 1037149330 /nfs/dbraw/zinc/14/93/30/1037149330.db2.gz FRFOOSRTHZXZNJ-UHFFFAOYSA-N -1 3 301.411 3.513 20 0 DHADHM Cn1ccc2cccc(C(=O)Nc3cc([O-])cc(Cl)c3)c21 ZINC001199019968 1037178812 /nfs/dbraw/zinc/17/88/12/1037178812.db2.gz XCVLKHWHOWAKFT-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM Cc1cc([O-])c(NC(=O)Nc2cccnc2)cc1Br ZINC001185694851 1037211954 /nfs/dbraw/zinc/21/19/54/1037211954.db2.gz AGAHHRYTSSRPET-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccc2c(c1)CCC2 ZINC001185737582 1037227059 /nfs/dbraw/zinc/22/70/59/1037227059.db2.gz ZIWMWJPGEUIVRW-UHFFFAOYSA-N -1 3 320.352 3.869 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C2CCC2)nc1 ZINC001199285551 1037231587 /nfs/dbraw/zinc/23/15/87/1037231587.db2.gz APOIKYLHFSRQQJ-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2c(OC(F)F)ccc3ccccc32)S1 ZINC000915840016 1037260888 /nfs/dbraw/zinc/26/08/88/1037260888.db2.gz KUTVLRJUCMQLGI-KPKJPENVSA-N -1 3 321.304 3.765 20 0 DHADHM Cc1c(Cl)onc1C(=O)[N-]c1ccnc(Cl)c1Cl ZINC001199671239 1037301319 /nfs/dbraw/zinc/30/13/19/1037301319.db2.gz ZQYQTOQCMNVWIO-UHFFFAOYSA-N -1 3 306.536 3.591 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])Nc1c(F)cc(F)cc1F ZINC001186056906 1037307618 /nfs/dbraw/zinc/30/76/18/1037307618.db2.gz WXMVWGRXDCASJV-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)C1(c2ccc3ncccc3c2)CC1 ZINC001186091625 1037313567 /nfs/dbraw/zinc/31/35/67/1037313567.db2.gz TWDLUJPKOQDNLU-UHFFFAOYSA-N -1 3 322.339 3.750 20 0 DHADHM O=C(Nc1cccc(C(F)(F)F)c1O)c1ccc([O-])c(F)c1 ZINC001186227118 1037339558 /nfs/dbraw/zinc/33/95/58/1037339558.db2.gz XGCWWOJXYSUCHG-UHFFFAOYSA-N -1 3 315.222 3.508 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)ccc2C)n1 ZINC001186242239 1037341067 /nfs/dbraw/zinc/34/10/67/1037341067.db2.gz GLVVOFQBABREFA-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM Cc1ccc(NC(=O)NCCc2ccc(F)cc2)c(Cl)c1[O-] ZINC001186279181 1037353896 /nfs/dbraw/zinc/35/38/96/1037353896.db2.gz DTGXTGRQRAYPAE-UHFFFAOYSA-N -1 3 322.767 3.857 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccccc1 ZINC000054771953 1037374793 /nfs/dbraw/zinc/37/47/93/1037374793.db2.gz KMTJTSNGPNNNRX-GOSISDBHSA-N -1 3 318.376 3.505 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C(=O)[O-])C1 ZINC000570456592 1037418193 /nfs/dbraw/zinc/41/81/93/1037418193.db2.gz GCAZSAYTGNOOGE-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000055652271 1037451799 /nfs/dbraw/zinc/45/17/99/1037451799.db2.gz UYVXPVQBHQYFMM-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C)c1 ZINC001187102752 1037563108 /nfs/dbraw/zinc/56/31/08/1037563108.db2.gz ZGRYKEZFNNMTCP-NSHDSACASA-N -1 3 318.870 3.537 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000648948251 1037565885 /nfs/dbraw/zinc/56/58/85/1037565885.db2.gz IRJHSKSNGSRXBC-DOTOQJQBSA-N -1 3 317.429 3.547 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1c(F)cccc1F ZINC000916046598 1037661846 /nfs/dbraw/zinc/66/18/46/1037661846.db2.gz VBBXUPMYCLWNAV-SNVBAGLBSA-N -1 3 311.278 3.934 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)sc1Cl ZINC001187673875 1037689563 /nfs/dbraw/zinc/68/95/63/1037689563.db2.gz DIWUCODPVDNLNT-VIFPVBQESA-N -1 3 307.868 3.567 20 0 DHADHM CCO[N-]C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000106018967 1037691678 /nfs/dbraw/zinc/69/16/78/1037691678.db2.gz SWJHOYPYAVKGOP-UHFFFAOYSA-N -1 3 319.788 3.529 20 0 DHADHM COc1nc(C(C)C)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001201436778 1037692618 /nfs/dbraw/zinc/69/26/18/1037692618.db2.gz GPTPSAIANFHGHA-UHFFFAOYSA-N -1 3 324.384 3.849 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC=CC12CCCC2 ZINC000913207228 1037765921 /nfs/dbraw/zinc/76/59/21/1037765921.db2.gz NVEIEHFXUVFJBM-UHFFFAOYSA-N -1 3 311.303 3.736 20 0 DHADHM C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000490674708 1037782734 /nfs/dbraw/zinc/78/27/34/1037782734.db2.gz SMTISGXPXDOYAC-QRJZZWFUSA-N -1 3 310.191 3.529 20 0 DHADHM CSc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913299666 1037793722 /nfs/dbraw/zinc/79/37/22/1037793722.db2.gz OPJBANNVPOFMFG-UHFFFAOYSA-N -1 3 314.366 3.749 20 0 DHADHM CC(=O)Nc1cccc([C@@H](C)NCc2cccc([O-])c2Cl)c1 ZINC000328333909 1037793520 /nfs/dbraw/zinc/79/35/20/1037793520.db2.gz JVKSAFAEWNYZON-LLVKDONJSA-N -1 3 318.804 3.855 20 0 DHADHM CSc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913299666 1037793740 /nfs/dbraw/zinc/79/37/40/1037793740.db2.gz OPJBANNVPOFMFG-UHFFFAOYSA-N -1 3 314.366 3.749 20 0 DHADHM [O-]c1cc(F)cc(CNCc2csc(-c3ccccc3)n2)c1 ZINC000185495158 1037809014 /nfs/dbraw/zinc/80/90/14/1037809014.db2.gz FGYXTASEJWJJQL-UHFFFAOYSA-N -1 3 314.385 3.945 20 0 DHADHM CCN(Cc1ccccc1NCc1cc([O-])cc(F)c1)C(C)=O ZINC000185477197 1037809592 /nfs/dbraw/zinc/80/95/92/1037809592.db2.gz YQKIAWGOCXYVLK-UHFFFAOYSA-N -1 3 316.376 3.512 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1C(F)F ZINC001188284856 1037865714 /nfs/dbraw/zinc/86/57/14/1037865714.db2.gz PCPDLHQHMUCFEI-UHFFFAOYSA-N -1 3 305.280 3.785 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000124968974 1037918981 /nfs/dbraw/zinc/91/89/81/1037918981.db2.gz LFQXZUCCMBMEQW-UHFFFAOYSA-N -1 3 322.405 3.755 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201937929 1037933511 /nfs/dbraw/zinc/93/35/11/1037933511.db2.gz OEFFMVFGINLMON-WCQYABFASA-N -1 3 302.761 3.723 20 0 DHADHM O=C(Cc1ccccc1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125368065 1037934089 /nfs/dbraw/zinc/93/40/89/1037934089.db2.gz VWFKEQUVPYRJOW-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC001188654432 1037943367 /nfs/dbraw/zinc/94/33/67/1037943367.db2.gz ARIKVHWNQUIGFQ-UHFFFAOYSA-N -1 3 314.772 3.765 20 0 DHADHM O=C(Nc1ccccc1)Nc1ccc([O-])c(Br)c1 ZINC001201954908 1037952158 /nfs/dbraw/zinc/95/21/58/1037952158.db2.gz MGVRDXHRGZOYQY-UHFFFAOYSA-N -1 3 307.147 3.799 20 0 DHADHM CC(C)CCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000033015185 1037955325 /nfs/dbraw/zinc/95/53/25/1037955325.db2.gz JKFSCVARELHKFW-UHFFFAOYSA-N -1 3 314.429 3.864 20 0 DHADHM [O-]c1ccccc1-c1nnc(CSc2cccc(F)c2)o1 ZINC001188880237 1038003055 /nfs/dbraw/zinc/00/30/55/1038003055.db2.gz SISJHUYVBZDTSM-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM CC(C)c1ccc([N-]S(=O)(=O)CC2CC2)c(C(F)(F)F)c1 ZINC001188975959 1038013274 /nfs/dbraw/zinc/01/32/74/1038013274.db2.gz AXCWOOOFXAFMOL-UHFFFAOYSA-N -1 3 321.364 3.981 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC001202156660 1038073399 /nfs/dbraw/zinc/07/33/99/1038073399.db2.gz UDFCPLYWEOHEMI-UHFFFAOYSA-N -1 3 311.263 3.758 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC3(C2)CCCCC3)c1 ZINC000669220277 1038174855 /nfs/dbraw/zinc/17/48/55/1038174855.db2.gz QUSSAMVQVVNSHO-UHFFFAOYSA-N -1 3 305.443 3.911 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1c(F)cccc1Cl ZINC000067524257 1038227572 /nfs/dbraw/zinc/22/75/72/1038227572.db2.gz ROEJVAAMMHCDLH-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM CC1(C)CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571887340 1038258047 /nfs/dbraw/zinc/25/80/47/1038258047.db2.gz DAKFFKFSXHRQAD-LBPRGKRZSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([O-])c1C ZINC000588920964 1038405391 /nfs/dbraw/zinc/40/53/91/1038405391.db2.gz IAGDMAHOPLLIEY-UHFFFAOYSA-N -1 3 324.384 3.587 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1cnccc1-c1ccccc1 ZINC001191490545 1038508856 /nfs/dbraw/zinc/50/88/56/1038508856.db2.gz WLGRLMLXVKNDNW-UHFFFAOYSA-N -1 3 316.426 3.681 20 0 DHADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CC1CCCC1 ZINC001191522789 1038512609 /nfs/dbraw/zinc/51/26/09/1038512609.db2.gz IMNQWEMBSZJUKE-UHFFFAOYSA-N -1 3 321.364 3.946 20 0 DHADHM COc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1C ZINC000590124426 1038586691 /nfs/dbraw/zinc/58/66/91/1038586691.db2.gz UNWCRKDAXNSMQH-UHFFFAOYSA-N -1 3 300.745 3.561 20 0 DHADHM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(F)ccc1[O-] ZINC001192176365 1038604889 /nfs/dbraw/zinc/60/48/89/1038604889.db2.gz JBBQAIZEULWIAC-UHFFFAOYSA-N -1 3 312.247 3.777 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(C)s1 ZINC000590265247 1038619031 /nfs/dbraw/zinc/61/90/31/1038619031.db2.gz WHOKDUCITIDRKV-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM Cc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2[O-])nc1 ZINC001192335618 1038630612 /nfs/dbraw/zinc/63/06/12/1038630612.db2.gz LGLTYJULZLLFSA-ZDUSSCGKSA-N -1 3 312.413 3.884 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)o1 ZINC000573098264 1038786134 /nfs/dbraw/zinc/78/61/34/1038786134.db2.gz VODJTLVWPWFSHT-ZDUSSCGKSA-N -1 3 319.788 3.838 20 0 DHADHM CN(CC1CCCC1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058207359 1039021387 /nfs/dbraw/zinc/02/13/87/1039021387.db2.gz GPHQUZZJJFVXAW-UHFFFAOYSA-N -1 3 322.503 3.672 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1F ZINC000574550262 1039747208 /nfs/dbraw/zinc/74/72/08/1039747208.db2.gz PQGPSJLGBLASHV-UHFFFAOYSA-N -1 3 315.316 3.873 20 0 DHADHM Cc1cccc2c(CCC(=O)[N-]OCc3ccccc3)c[nH]c21 ZINC000172824882 1040058159 /nfs/dbraw/zinc/05/81/59/1040058159.db2.gz KHJSUHZCKSGOKY-UHFFFAOYSA-N -1 3 308.381 3.657 20 0 DHADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000608955979 1040652037 /nfs/dbraw/zinc/65/20/37/1040652037.db2.gz ZXNREPNFAKTRBW-UHFFFAOYSA-N -1 3 321.467 3.967 20 0 DHADHM CO[C@@](C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000533994952 1040675675 /nfs/dbraw/zinc/67/56/75/1040675675.db2.gz AZMCKLICMRUASG-MRXNPFEDSA-N -1 3 305.761 3.546 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000456139032 1040714012 /nfs/dbraw/zinc/71/40/12/1040714012.db2.gz XPAVQUNKWWQZED-PWSUYJOCSA-N -1 3 315.335 3.758 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597324424 1040734258 /nfs/dbraw/zinc/73/42/58/1040734258.db2.gz NSAPGXJSIVAWDJ-NSHDSACASA-N -1 3 313.488 3.718 20 0 DHADHM CC(C)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C(C)C ZINC000456342251 1040783286 /nfs/dbraw/zinc/78/32/86/1040783286.db2.gz PCXRYHNFTCKANJ-HNAYVOBHSA-N -1 3 321.436 3.993 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2cscc2Cl)no1 ZINC000602222277 1040913173 /nfs/dbraw/zinc/91/31/73/1040913173.db2.gz JXJOIDGYGGHPQK-UHFFFAOYSA-N -1 3 302.808 3.895 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000092429747 185317747 /nfs/dbraw/zinc/31/77/47/185317747.db2.gz SBCHINHJLBFOJI-MRXNPFEDSA-N -1 3 323.392 3.578 20 0 DHADHM C[C@@H](CCCNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417554424 334968088 /nfs/dbraw/zinc/96/80/88/334968088.db2.gz CPUUSMXBZKPSTD-QMMMGPOBSA-N -1 3 308.180 3.723 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417558402 334974804 /nfs/dbraw/zinc/97/48/04/334974804.db2.gz FJFNCPSWMBZOED-QMTHXVAHSA-N -1 3 309.818 3.953 20 0 DHADHM CCCc1csc(CN[C@H]2CCCCCC[C@@H]2C(=O)[O-])n1 ZINC000417560386 334975835 /nfs/dbraw/zinc/97/58/35/334975835.db2.gz JVWDGUSVZCYQOL-KBPBESRZSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000003750693 181044714 /nfs/dbraw/zinc/04/47/14/181044714.db2.gz FNOVYJWYCDHZDM-KOLCDFICSA-N -1 3 302.201 3.851 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000417585618 335000595 /nfs/dbraw/zinc/00/05/95/335000595.db2.gz ZMZFCLNCQXGLRK-BZNIZROVSA-N -1 3 310.463 3.564 20 0 DHADHM Cc1ccc(F)c(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417600873 335003105 /nfs/dbraw/zinc/00/31/05/335003105.db2.gz KPFTUCWPXXKSTP-QGZVFWFLSA-N -1 3 301.361 3.830 20 0 DHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(Cl)cc1F ZINC000417608509 335007222 /nfs/dbraw/zinc/00/72/22/335007222.db2.gz IZGUYIHZVTYZIC-OAHLLOKOSA-N -1 3 313.800 3.992 20 0 DHADHM CCOc1c(Cl)cccc1CNC[C@H](CC(C)C)C(=O)[O-] ZINC000417620502 335014173 /nfs/dbraw/zinc/01/41/73/335014173.db2.gz GHBHZNMYJBKMBV-ZDUSSCGKSA-N -1 3 313.825 3.575 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)o1 ZINC000417628324 335016690 /nfs/dbraw/zinc/01/66/90/335016690.db2.gz WAABNCCNZZAZCW-JSGCOSHPSA-N -1 3 315.344 3.513 20 0 DHADHM C[C@H](CC(C)(C)NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000417629103 335018421 /nfs/dbraw/zinc/01/84/21/335018421.db2.gz AUPKWRKUYWLWEW-SNVBAGLBSA-N -1 3 324.471 3.851 20 0 DHADHM Cc1nnc([N-]C(=O)c2sc(-c3cccs3)nc2C)s1 ZINC000017345691 182083820 /nfs/dbraw/zinc/08/38/20/182083820.db2.gz IBYNOTISAQTQNI-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM O=C(Nc1ccc(Br)cc1F)c1cccc([O-])c1 ZINC000019431584 182122924 /nfs/dbraw/zinc/12/29/24/182122924.db2.gz FHJGTDDWKXDKMR-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM C[C@H]([C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-])C1CC1 ZINC000417639191 335022503 /nfs/dbraw/zinc/02/25/03/335022503.db2.gz LNOMLRRZGWFIJA-WKEGUHRASA-N -1 3 308.230 3.644 20 0 DHADHM Cc1ccc(C[C@@H](NCc2ccsc2Cl)C(=O)[O-])cc1C ZINC000417654633 335030398 /nfs/dbraw/zinc/03/03/98/335030398.db2.gz RWTPXUXZVZSIRN-CQSZACIVSA-N -1 3 323.845 3.804 20 0 DHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865624 335036041 /nfs/dbraw/zinc/03/60/41/335036041.db2.gz IIHJJBXZBNQEIX-SFHVURJKSA-N -1 3 322.412 3.736 20 0 DHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865624 335036043 /nfs/dbraw/zinc/03/60/43/335036043.db2.gz IIHJJBXZBNQEIX-SFHVURJKSA-N -1 3 322.412 3.736 20 0 DHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865624 335036045 /nfs/dbraw/zinc/03/60/45/335036045.db2.gz IIHJJBXZBNQEIX-SFHVURJKSA-N -1 3 322.412 3.736 20 0 DHADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000417673462 335038287 /nfs/dbraw/zinc/03/82/87/335038287.db2.gz WJAQVERHDZBPPK-UHFFFAOYSA-N -1 3 317.360 3.521 20 0 DHADHM CC[C@](C)(NC(=O)c1ccc([O-])c(C)c1)c1nc(C)cs1 ZINC000272429656 130028696 /nfs/dbraw/zinc/02/86/96/130028696.db2.gz LFGJHCOHDXPGJC-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(F)c1 ZINC000274374878 130229577 /nfs/dbraw/zinc/22/95/77/130229577.db2.gz LHCGOLBAKGNFRT-NSHDSACASA-N -1 3 315.344 3.694 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC([O-])=NOC1CCCC1 ZINC000274891232 130270689 /nfs/dbraw/zinc/27/06/89/130270689.db2.gz PXHQIQQSAMXPDW-UHFFFAOYSA-N -1 3 301.346 3.646 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)[N-]OC1CCCC1 ZINC000274891232 130270692 /nfs/dbraw/zinc/27/06/92/130270692.db2.gz PXHQIQQSAMXPDW-UHFFFAOYSA-N -1 3 301.346 3.646 20 0 DHADHM O=S(=O)([N-]CCCC(F)(F)F)c1csc2ccccc21 ZINC000285994235 131214318 /nfs/dbraw/zinc/21/43/18/131214318.db2.gz NFAGFPOKUFUHHZ-UHFFFAOYSA-N -1 3 323.361 3.522 20 0 DHADHM C[C@H]1CCc2c(sc3[n-]c(-c4ccc(F)cn4)nc(=O)c23)C1 ZINC000287050933 131261668 /nfs/dbraw/zinc/26/16/68/131261668.db2.gz IQGFTADJKCPCKS-QMMMGPOBSA-N -1 3 315.373 3.723 20 0 DHADHM CC(C)CON=C([O-])Nc1ncc(Cc2ccccc2F)s1 ZINC000288785375 131339582 /nfs/dbraw/zinc/33/95/82/131339582.db2.gz DPVSHASTQXPPFD-UHFFFAOYSA-N -1 3 323.393 3.582 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000288785375 131339584 /nfs/dbraw/zinc/33/95/84/131339584.db2.gz DPVSHASTQXPPFD-UHFFFAOYSA-N -1 3 323.393 3.582 20 0 DHADHM Cc1c([N-]S(=O)(=O)C2=CCCCC2)cnn1C1CCCC1 ZINC000295162312 131887386 /nfs/dbraw/zinc/88/73/86/131887386.db2.gz DTMWLSTVBLISAJ-UHFFFAOYSA-N -1 3 309.435 3.506 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2cnn(CC)c2)cc(Cl)c1[O-] ZINC000297306801 132008821 /nfs/dbraw/zinc/00/88/21/132008821.db2.gz BPGZHCVQKFYRGY-NSHDSACASA-N -1 3 323.824 3.512 20 0 DHADHM CCOc1cc(CN[C@H](C2CC2)C(F)(F)F)cc(Cl)c1[O-] ZINC000297541842 132021718 /nfs/dbraw/zinc/02/17/18/132021718.db2.gz YQHYKUAUWQLSBQ-CYBMUJFWSA-N -1 3 323.742 3.875 20 0 DHADHM Cc1ccccc1C(C)(C)NCc1nc(=O)c2sccc2[n-]1 ZINC000298482167 132065244 /nfs/dbraw/zinc/06/52/44/132065244.db2.gz SZDODSQXHJHSKM-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM C[C@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000340676457 132145494 /nfs/dbraw/zinc/14/54/94/132145494.db2.gz PJJXOQPQSIRHSP-NSHDSACASA-N -1 3 305.761 3.695 20 0 DHADHM Cc1ccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000340682633 132147946 /nfs/dbraw/zinc/14/79/46/132147946.db2.gz TWPJDHGAASQOKB-UHFFFAOYSA-N -1 3 316.426 3.606 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cccc(F)c1 ZINC000442948119 338440041 /nfs/dbraw/zinc/44/00/41/338440041.db2.gz VRCCYODPLQAOPX-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM Cc1nc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nc1C ZINC000184764606 335085968 /nfs/dbraw/zinc/08/59/68/335085968.db2.gz DZJLCGVMSJAGKT-UHFFFAOYSA-N -1 3 313.401 3.657 20 0 DHADHM CC1(CSc2nnc([N-]c3ccccc3F)s2)COC1 ZINC000607757225 430559123 /nfs/dbraw/zinc/55/91/23/430559123.db2.gz IBEOWCQBTRXDQH-UHFFFAOYSA-N -1 3 311.407 3.549 20 0 DHADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000624516709 435383361 /nfs/dbraw/zinc/38/33/61/435383361.db2.gz JSSBVGXNPFGHGB-UHFFFAOYSA-N -1 3 315.345 3.927 20 0 DHADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000570572235 332774063 /nfs/dbraw/zinc/77/40/63/332774063.db2.gz PVOQCKXOQKYXBG-VIFPVBQESA-N -1 3 303.280 3.512 20 0 DHADHM Cc1ccc(NC(=O)c2cccc(F)c2Br)c([O-])c1 ZINC000155903946 332779075 /nfs/dbraw/zinc/77/90/75/332779075.db2.gz UXRNTPPNVFUIRA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)s1 ZINC000570649788 332792703 /nfs/dbraw/zinc/79/27/03/332792703.db2.gz PVEALBVQTOAQDR-AWEZNQCLSA-N -1 3 318.442 3.746 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000517742386 331485562 /nfs/dbraw/zinc/48/55/62/331485562.db2.gz CIHMJHGKZRYEMU-YPMHNXCESA-N -1 3 302.201 3.726 20 0 DHADHM CC(C)[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179494891 331525160 /nfs/dbraw/zinc/52/51/60/331525160.db2.gz QZMQUTHOAQBBKC-YXBWYFRISA-N -1 3 310.397 3.656 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000179549244 331527024 /nfs/dbraw/zinc/52/70/24/331527024.db2.gz PJCCMBSITOYONE-MDZDMXLPSA-N -1 3 310.378 3.962 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370593675 331555531 /nfs/dbraw/zinc/55/55/31/331555531.db2.gz MPACRNBINQYNOR-OAHLLOKOSA-N -1 3 322.364 3.901 20 0 DHADHM Cc1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)c([O-])c1 ZINC000115235723 331696843 /nfs/dbraw/zinc/69/68/43/331696843.db2.gz CEXMVWKZJKAKIQ-MRXNPFEDSA-N -1 3 313.422 3.631 20 0 DHADHM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)ccc2n1 ZINC000426766114 331767585 /nfs/dbraw/zinc/76/75/85/331767585.db2.gz WVHGSKNWIBNWGR-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM COc1ccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c([O-])c1 ZINC000092518340 332132819 /nfs/dbraw/zinc/13/28/19/332132819.db2.gz NOLTVSRPDHZTTA-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM COc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426808631 332151966 /nfs/dbraw/zinc/15/19/66/332151966.db2.gz AIEHUODAWUAIDD-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM CC(C)(C)C[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426803997 332155447 /nfs/dbraw/zinc/15/54/47/332155447.db2.gz RBNRXQBBTWSUHI-LBPRGKRZSA-N -1 3 304.217 3.972 20 0 DHADHM CCC[C@@H](C)C[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000426826930 332155704 /nfs/dbraw/zinc/15/57/04/332155704.db2.gz UPFCOGWVYPKWSO-ABAIWWIYSA-N -1 3 313.825 3.718 20 0 DHADHM C[C@@H]1CC[C@H](C)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000569611623 332204880 /nfs/dbraw/zinc/20/48/80/332204880.db2.gz ITBRTTOOBAZHLU-QWHCGFSZSA-N -1 3 314.385 3.660 20 0 DHADHM C[C@H]1CC[C@H](C)N(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000569611626 332205148 /nfs/dbraw/zinc/20/51/48/332205148.db2.gz ITBRTTOOBAZHLU-STQMWFEESA-N -1 3 314.385 3.660 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc(-c2cscn2)c1 ZINC000536462853 332249692 /nfs/dbraw/zinc/24/96/92/332249692.db2.gz HDQGXULGDGLYEJ-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC12CCCC2 ZINC000531092057 332256402 /nfs/dbraw/zinc/25/64/02/332256402.db2.gz OXJBJLRRGGONLB-SNVBAGLBSA-N -1 3 310.191 3.674 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC12CCCC2 ZINC000531092056 332256415 /nfs/dbraw/zinc/25/64/15/332256415.db2.gz OXJBJLRRGGONLB-JTQLQIEISA-N -1 3 310.191 3.674 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1[O-] ZINC000560550022 332358248 /nfs/dbraw/zinc/35/82/48/332358248.db2.gz HFZQUWJEZXTWAZ-UHFFFAOYSA-N -1 3 309.365 3.726 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000560661261 332374972 /nfs/dbraw/zinc/37/49/72/332374972.db2.gz GVBGWGMOLWKHNP-BPLDGKMQSA-N -1 3 303.402 3.946 20 0 DHADHM O=C([O-])c1cc(CN(CCC(F)(F)F)CC2CC2)cs1 ZINC000582127023 332381875 /nfs/dbraw/zinc/38/18/75/332381875.db2.gz DEGJWFJLRWRTEC-UHFFFAOYSA-N -1 3 307.337 3.611 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cnc([C@@H]2CCCO2)s1 ZINC000560819545 332388380 /nfs/dbraw/zinc/38/83/80/332388380.db2.gz FNKIILXNZKUNJZ-JTQLQIEISA-N -1 3 324.789 3.606 20 0 DHADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000565053210 332504472 /nfs/dbraw/zinc/50/44/72/332504472.db2.gz FVCVJFLDWKKDHF-HNNXBMFYSA-N -1 3 321.446 3.501 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1[O-] ZINC000317926852 332557731 /nfs/dbraw/zinc/55/77/31/332557731.db2.gz LEVVVGWSQGTILY-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)c([O-])c(C(C)C)c1 ZINC000408462518 332561723 /nfs/dbraw/zinc/56/17/23/332561723.db2.gz DOMVHNUEJOLFKM-CXAGYDPISA-N -1 3 319.445 3.624 20 0 DHADHM [O-]c1ccc(Br)c(CN2CCC(C(F)F)CC2)c1 ZINC000307883003 333017679 /nfs/dbraw/zinc/01/76/79/333017679.db2.gz VSEUKTDSUDFWCZ-UHFFFAOYSA-N -1 3 320.177 3.632 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(SC(F)F)c1 ZINC000181969308 333148602 /nfs/dbraw/zinc/14/86/02/333148602.db2.gz RHRHZBRZKQRAJK-SNAWJCMRSA-N -1 3 322.336 3.754 20 0 DHADHM CCOc1cccc2cc([C@@H](C)NCc3ncccc3[O-])oc21 ZINC000582089500 333208957 /nfs/dbraw/zinc/20/89/57/333208957.db2.gz ILIMZHVKFKFXRA-GFCCVEGCSA-N -1 3 312.369 3.783 20 0 DHADHM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000525748919 333219819 /nfs/dbraw/zinc/21/98/19/333219819.db2.gz JLMPCNIQQIKTBO-SNVBAGLBSA-N -1 3 318.343 3.615 20 0 DHADHM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000525748919 333219821 /nfs/dbraw/zinc/21/98/21/333219821.db2.gz JLMPCNIQQIKTBO-SNVBAGLBSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497808092 333294351 /nfs/dbraw/zinc/29/43/51/333294351.db2.gz FWIKDDPXJHIBNY-JSGCOSHPSA-N -1 3 322.424 3.888 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000531198697 333331066 /nfs/dbraw/zinc/33/10/66/333331066.db2.gz MBNVDZKVDHRMRE-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000531372798 333346816 /nfs/dbraw/zinc/34/68/16/333346816.db2.gz IMFWBWVSEOSAPT-STQMWFEESA-N -1 3 305.736 3.927 20 0 DHADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531396176 333349542 /nfs/dbraw/zinc/34/95/42/333349542.db2.gz PZOQDMWYAHHAFM-MRXNPFEDSA-N -1 3 303.333 3.636 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c(F)c(F)c1 ZINC000063011889 333351260 /nfs/dbraw/zinc/35/12/60/333351260.db2.gz YGVAEHXVQKQJNZ-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(F)cc2Br)c([O-])c1 ZINC000040419026 333352970 /nfs/dbraw/zinc/35/29/70/333352970.db2.gz PLRUEZCDOGWKQG-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM COc1cccc(-c2nc(CCCc3ccccc3)no2)c1[O-] ZINC000184852632 333368065 /nfs/dbraw/zinc/36/80/65/333368065.db2.gz RTNWTKNWXFLXOL-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM O=C(Nc1ccccc1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186922518 333381844 /nfs/dbraw/zinc/38/18/44/333381844.db2.gz RUKFDSOOWKXMPS-UHFFFAOYSA-N -1 3 317.344 3.876 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ncccc2Oc2ccccc2)n1 ZINC000442816908 335150218 /nfs/dbraw/zinc/15/02/18/335150218.db2.gz YPHBKRXUTFPFQL-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c([O-])c1 ZINC000411204013 333643296 /nfs/dbraw/zinc/64/32/96/333643296.db2.gz UEXRSGQEFJKAHB-MRXNPFEDSA-N -1 3 311.381 3.929 20 0 DHADHM CC(C)(C)Oc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000571470767 333792447 /nfs/dbraw/zinc/79/24/47/333792447.db2.gz OHFLUZTZBAWLLM-UHFFFAOYSA-N -1 3 312.344 3.907 20 0 DHADHM Cc1ncc(CN[C@@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000343373272 335160156 /nfs/dbraw/zinc/16/01/56/335160156.db2.gz AMOGANJDFLTMKL-IBGZPJMESA-N -1 3 319.408 3.564 20 0 DHADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])sc2nccn12 ZINC000343393054 335161487 /nfs/dbraw/zinc/16/14/87/335161487.db2.gz FOFYFRZSRGNXRM-UHFFFAOYSA-N -1 3 321.789 3.624 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1Cl ZINC000436648386 333985638 /nfs/dbraw/zinc/98/56/38/333985638.db2.gz QBPBQDYLCTVAAR-UHFFFAOYSA-N -1 3 321.760 3.791 20 0 DHADHM COc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c([O-])c1 ZINC000436655062 333986202 /nfs/dbraw/zinc/98/62/02/333986202.db2.gz BWMXFODPIGEWCI-GOSISDBHSA-N -1 3 323.348 3.513 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)no2)c([O-])c1 ZINC000436835735 334004550 /nfs/dbraw/zinc/00/45/50/334004550.db2.gz WVLDDFOFOQDXOY-UHFFFAOYSA-N -1 3 309.369 3.738 20 0 DHADHM Cc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436891703 334015196 /nfs/dbraw/zinc/01/51/96/334015196.db2.gz YKTCNCTZADIODI-UHFFFAOYSA-N -1 3 314.366 3.628 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3ccc(C)cc3)no2)c1[O-] ZINC000436887074 334015234 /nfs/dbraw/zinc/01/52/34/334015234.db2.gz IYOXEWFZXSCMLX-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CCc1ccc(-c2ccc(CN3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000414635707 334048990 /nfs/dbraw/zinc/04/89/90/334048990.db2.gz HZDONWSINHAKPL-UHFFFAOYSA-N -1 3 313.397 3.806 20 0 DHADHM O=C([O-])c1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000414642381 334051494 /nfs/dbraw/zinc/05/14/94/334051494.db2.gz VTIQZWRHCQNSBI-CQSZACIVSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccccc1-c1cccs1 ZINC000276372023 334076400 /nfs/dbraw/zinc/07/64/00/334076400.db2.gz JVNWMQOANCCSQE-GFCCVEGCSA-N -1 3 318.398 3.505 20 0 DHADHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc([O-])ccc1Cl ZINC000277597819 334089334 /nfs/dbraw/zinc/08/93/34/334089334.db2.gz APMNJBWJMSMLQJ-GFCCVEGCSA-N -1 3 323.820 3.657 20 0 DHADHM COCC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1 ZINC000293533924 334198770 /nfs/dbraw/zinc/19/87/70/334198770.db2.gz ZVXVLEVGTHPTAL-UHFFFAOYSA-N -1 3 310.353 3.664 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2CCSc3ccccc32)c1F ZINC000294396773 334209047 /nfs/dbraw/zinc/20/90/47/334209047.db2.gz VQUMETUIZVVSOU-CYBMUJFWSA-N -1 3 307.365 3.997 20 0 DHADHM CC1(Cc2noc(-c3n[n-]nc3-c3ccccc3)n2)CCCC1 ZINC000582149109 334273145 /nfs/dbraw/zinc/27/31/45/334273145.db2.gz WHWQCBMGDMZIFL-UHFFFAOYSA-N -1 3 309.373 3.645 20 0 DHADHM CC(C)c1ccc(C(=O)NCCCNc2ccccc2)c([O-])c1 ZINC000110738925 334292231 /nfs/dbraw/zinc/29/22/31/334292231.db2.gz SLXOUSNMZNSIIK-UHFFFAOYSA-N -1 3 312.413 3.748 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000048931117 334302711 /nfs/dbraw/zinc/30/27/11/334302711.db2.gz CTIMQHYIVBWOND-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(Br)c(F)c1 ZINC000049398502 334328812 /nfs/dbraw/zinc/32/88/12/334328812.db2.gz PTTKOJVZBXUGKT-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM Cc1ccc(C)c(SCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000534706058 334328832 /nfs/dbraw/zinc/32/88/32/334328832.db2.gz VSJCULVXPUGFPQ-UHFFFAOYSA-N -1 3 305.374 3.879 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1CCC(C(F)(F)F)CC1 ZINC000580990906 334354768 /nfs/dbraw/zinc/35/47/68/334354768.db2.gz WMMDPKSQMZWQGM-UHFFFAOYSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c([O-])c1 ZINC000535041154 334358243 /nfs/dbraw/zinc/35/82/43/334358243.db2.gz RDSQIEVGAQXEGT-MRXNPFEDSA-N -1 3 311.381 3.847 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)Cc2cccc(F)c2F)c1[O-] ZINC000532032238 334380691 /nfs/dbraw/zinc/38/06/91/334380691.db2.gz XRQXEYJTMAPRNV-UHFFFAOYSA-N -1 3 311.715 3.813 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000340735858 334383952 /nfs/dbraw/zinc/38/39/52/334383952.db2.gz DPQXONKDNVCCCE-ZJUUUORDSA-N -1 3 323.179 3.836 20 0 DHADHM CC(=O)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000341096434 334408763 /nfs/dbraw/zinc/40/87/63/334408763.db2.gz WMSUTEMQLJSWFI-UHFFFAOYSA-N -1 3 321.735 3.569 20 0 DHADHM CC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(C)(C)C ZINC000341600306 334460677 /nfs/dbraw/zinc/46/06/77/334460677.db2.gz UUXNQGWBFLQWSY-AWEZNQCLSA-N -1 3 318.392 3.530 20 0 DHADHM O=c1nc(-c2ccncc2F)[n-]c2sc3c(c21)CCCS3 ZINC000443419965 338451363 /nfs/dbraw/zinc/45/13/63/338451363.db2.gz XAAASKKXTIKZNG-UHFFFAOYSA-N -1 3 319.386 3.636 20 0 DHADHM Cc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443562941 338454878 /nfs/dbraw/zinc/45/48/78/338454878.db2.gz XCTTZSDZDBVZPI-UHFFFAOYSA-N -1 3 317.288 3.913 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000416118744 334652237 /nfs/dbraw/zinc/65/22/37/334652237.db2.gz CNGUZGKCTNXKGK-UHFFFAOYSA-N -1 3 320.439 3.615 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2c(OC)cccc2SC)o1 ZINC000416121210 334652391 /nfs/dbraw/zinc/65/23/91/334652391.db2.gz JYOGSLLHAJGALP-UHFFFAOYSA-N -1 3 320.414 3.918 20 0 DHADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000188264035 334670453 /nfs/dbraw/zinc/67/04/53/334670453.db2.gz XYNWOQOFDRXERM-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1[O-] ZINC000563693831 334860424 /nfs/dbraw/zinc/86/04/24/334860424.db2.gz RSTMWERVLPIPLU-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189733969 334909791 /nfs/dbraw/zinc/90/97/91/334909791.db2.gz SCPPOOGDSHKONH-UHFFFAOYSA-N -1 3 301.820 3.819 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000343883350 335199702 /nfs/dbraw/zinc/19/97/02/335199702.db2.gz AVHIRGXSDOFSTF-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3ccccc3s2)n1 ZINC000344047531 335213032 /nfs/dbraw/zinc/21/30/32/335213032.db2.gz JVVKHZYJWVRFNG-UHFFFAOYSA-N -1 3 300.387 3.500 20 0 DHADHM COc1cccc(C)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000444455997 338473487 /nfs/dbraw/zinc/47/34/87/338473487.db2.gz BNVKDURDDSWTIM-UHFFFAOYSA-N -1 3 311.381 3.840 20 0 DHADHM COc1cccc(C)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000444469340 338473828 /nfs/dbraw/zinc/47/38/28/338473828.db2.gz WKMGVCCGXYKIDD-UHFFFAOYSA-N -1 3 311.381 3.840 20 0 DHADHM CC(C)[C@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000344991231 335289799 /nfs/dbraw/zinc/28/97/99/335289799.db2.gz XQQVWVSXRHHXSA-WBVHZDCISA-N -1 3 320.396 3.572 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(Cl)ccn1 ZINC000345458765 335326761 /nfs/dbraw/zinc/32/67/61/335326761.db2.gz HDUZTPJKRBVPOT-UHFFFAOYSA-N -1 3 308.740 3.541 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)Cc3ccc(C)cc3)ccc2[n-]1 ZINC000345624684 335337770 /nfs/dbraw/zinc/33/77/70/335337770.db2.gz GOBPJWJHDXNMIZ-UHFFFAOYSA-N -1 3 323.396 3.542 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2[n-]1 ZINC000345624684 335337772 /nfs/dbraw/zinc/33/77/72/335337772.db2.gz GOBPJWJHDXNMIZ-UHFFFAOYSA-N -1 3 323.396 3.542 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@H](C)c3ccccc3)ccc2[n-]1 ZINC000345610244 335340552 /nfs/dbraw/zinc/34/05/52/335340552.db2.gz KGEGGYPBBQXJAY-CYBMUJFWSA-N -1 3 323.396 3.795 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2[n-]1 ZINC000345610244 335340553 /nfs/dbraw/zinc/34/05/53/335340553.db2.gz KGEGGYPBBQXJAY-CYBMUJFWSA-N -1 3 323.396 3.795 20 0 DHADHM CCCc1cnc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)s1 ZINC000345685071 335341635 /nfs/dbraw/zinc/34/16/35/335341635.db2.gz VKRRIFQLFZFHJY-UHFFFAOYSA-N -1 3 316.386 3.639 20 0 DHADHM CCCc1cnc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)s1 ZINC000345685071 335341636 /nfs/dbraw/zinc/34/16/36/335341636.db2.gz VKRRIFQLFZFHJY-UHFFFAOYSA-N -1 3 316.386 3.639 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCC(F)(F)CC1 ZINC000345799568 335351930 /nfs/dbraw/zinc/35/19/30/335351930.db2.gz RBQMDGHFYBQJPQ-UHFFFAOYSA-N -1 3 315.335 3.548 20 0 DHADHM Cc1cccc(OCCCCC(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345940297 335362479 /nfs/dbraw/zinc/36/24/79/335362479.db2.gz MOABTXCKNLZTMN-UHFFFAOYSA-N -1 3 314.385 3.592 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345939210 335362629 /nfs/dbraw/zinc/36/26/29/335362629.db2.gz ZCOBGEQKLIVKLG-UHFFFAOYSA-N -1 3 300.289 3.542 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)ccc2[n-]1 ZINC000346162265 335383522 /nfs/dbraw/zinc/38/35/22/335383522.db2.gz YUJPZKKWYNVKEK-BLLLJJGKSA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2[n-]1 ZINC000346162265 335383523 /nfs/dbraw/zinc/38/35/23/335383523.db2.gz YUJPZKKWYNVKEK-BLLLJJGKSA-N -1 3 315.417 3.612 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@@H](O)C[C@H]2C)c([O-])c(C(C)C)c1 ZINC000346713474 335434758 /nfs/dbraw/zinc/43/47/58/335434758.db2.gz GHOICQUSFKNGNZ-UKRRQHHQSA-N -1 3 319.445 3.624 20 0 DHADHM Cc1ncc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000346792446 335435812 /nfs/dbraw/zinc/43/58/12/335435812.db2.gz KRYPXLDDDOLGKX-MRVPVSSYSA-N -1 3 312.200 3.648 20 0 DHADHM Cc1ncc(CN[C@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000346801291 335437209 /nfs/dbraw/zinc/43/72/09/335437209.db2.gz SCAGLLFBVRMESV-HNNXBMFYSA-N -1 3 305.809 3.631 20 0 DHADHM O=C(NCc1ccc(C2CC2)cc1)c1cc([O-])ccc1Cl ZINC000349830768 335704463 /nfs/dbraw/zinc/70/44/63/335704463.db2.gz IYBSYNYQNDBZRJ-UHFFFAOYSA-N -1 3 301.773 3.853 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000535659510 335710476 /nfs/dbraw/zinc/71/04/76/335710476.db2.gz XHKXLWZIECHGTA-UHFFFAOYSA-N -1 3 321.258 3.598 20 0 DHADHM Cc1cc(F)c(Br)cc1NC(=O)c1cccc([O-])c1 ZINC000191528413 335761164 /nfs/dbraw/zinc/76/11/64/335761164.db2.gz KGXXBUVPIOWVSQ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)c1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000536690937 335862106 /nfs/dbraw/zinc/86/21/06/335862106.db2.gz IPTVKZHMMYDWHP-UONOGXRCSA-N -1 3 319.445 3.888 20 0 DHADHM O=C([N-]c1scnc1-c1ccccc1)c1ncc(F)cc1F ZINC000192245231 336022628 /nfs/dbraw/zinc/02/26/28/336022628.db2.gz DCOXGVZOFITJKX-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM O=c1[n-]c(CN2CCC[C@H](C3CC3)C2)nc2c3ccccc3oc21 ZINC000329650407 336028397 /nfs/dbraw/zinc/02/83/97/336028397.db2.gz KKPZARSMZDPCLB-ZDUSSCGKSA-N -1 3 323.396 3.704 20 0 DHADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccoc1Cl ZINC000192349357 336029881 /nfs/dbraw/zinc/02/98/81/336029881.db2.gz JGTPLENZOVNBOT-ONEGZZNKSA-N -1 3 321.745 3.800 20 0 DHADHM [O-]c1cccc(CN(CCO)[C@H]2CCc3ccccc32)c1Cl ZINC000351589782 336047435 /nfs/dbraw/zinc/04/74/35/336047435.db2.gz OQKSLFFGSHICFE-INIZCTEOSA-N -1 3 317.816 3.527 20 0 DHADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1cncs1 ZINC000351601055 336048912 /nfs/dbraw/zinc/04/89/12/336048912.db2.gz ORXFCRZIAVTSMM-UHFFFAOYSA-N -1 3 324.427 3.757 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(C3CC3)on2)c([O-])c1 ZINC000331530023 336139113 /nfs/dbraw/zinc/13/91/13/336139113.db2.gz PCAHQEGHSBLQPE-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM Cc1ccc(C)n1C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000351993519 336186796 /nfs/dbraw/zinc/18/67/96/336186796.db2.gz ARNLNWVBWZSZOP-UHFFFAOYSA-N -1 3 302.393 3.787 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000352001160 336187485 /nfs/dbraw/zinc/18/74/85/336187485.db2.gz DTFFSGGHVDHWJZ-LJQANCHMSA-N -1 3 315.388 3.713 20 0 DHADHM [O-]c1cc(F)cc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000352011349 336188609 /nfs/dbraw/zinc/18/86/09/336188609.db2.gz QKTRPHMDHSPALY-QGZVFWFLSA-N -1 3 303.402 3.821 20 0 DHADHM COc1ccc(Cl)cc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000352012116 336189037 /nfs/dbraw/zinc/18/90/37/336189037.db2.gz XXLNCEVHAFDXSC-UHFFFAOYSA-N -1 3 309.768 3.825 20 0 DHADHM O=c1cc(C=Cc2nc3ccc(F)cc3s2)nc(C2CC2)[n-]1 ZINC000352022139 336189699 /nfs/dbraw/zinc/18/96/99/336189699.db2.gz VOFJGYALWGVFHR-GQCTYLIASA-N -1 3 313.357 3.979 20 0 DHADHM O=c1cc(C=Cc2cnc(-c3ccccn3)s2)nc(C2CC2)[n-]1 ZINC000352022525 336189717 /nfs/dbraw/zinc/18/97/17/336189717.db2.gz YTKGZQUZPZUEOH-SREVYHEPSA-N -1 3 322.393 3.749 20 0 DHADHM CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352021041 336189734 /nfs/dbraw/zinc/18/97/34/336189734.db2.gz LXFBRQMHMPVIIP-YWEYNIOJSA-N -1 3 312.369 3.637 20 0 DHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000352141667 336196464 /nfs/dbraw/zinc/19/64/64/336196464.db2.gz DVLRDSMDRATZCG-MRVPVSSYSA-N -1 3 323.361 3.521 20 0 DHADHM O=C1[C@@H]([N-]c2nc3ccccc3o2)CCCN1C1CCCCC1 ZINC000333365908 336202527 /nfs/dbraw/zinc/20/25/27/336202527.db2.gz VHCCEHFCOODNBN-HNNXBMFYSA-N -1 3 313.401 3.563 20 0 DHADHM CN(C(=O)Cc1ccc([O-])cc1Cl)c1ccc2cc[nH]c2c1 ZINC000352366483 336214587 /nfs/dbraw/zinc/21/45/87/336214587.db2.gz FZXYIUXQIURGOH-UHFFFAOYSA-N -1 3 314.772 3.732 20 0 DHADHM CSc1ccc(F)cc1CNCc1c(F)ccc([O-])c1F ZINC000352640749 336228175 /nfs/dbraw/zinc/22/81/75/336228175.db2.gz SUVXBZQFRROHGV-UHFFFAOYSA-N -1 3 313.344 3.821 20 0 DHADHM CCO[C@@H](CCNCc1c(F)ccc([O-])c1F)C1CCCC1 ZINC000352655159 336229038 /nfs/dbraw/zinc/22/90/38/336229038.db2.gz PMAUVGYCJUXRNC-INIZCTEOSA-N -1 3 313.388 3.745 20 0 DHADHM O=C(c1cncc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000352664690 336229494 /nfs/dbraw/zinc/22/94/94/336229494.db2.gz NJPGNILXSPBKEQ-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM COCCC1(C(=O)Nc2cc(Cl)cc(C)c2[O-])CCCC1 ZINC000532382330 336244514 /nfs/dbraw/zinc/24/45/14/336244514.db2.gz IIRAVWFCXNGUDY-UHFFFAOYSA-N -1 3 311.809 3.889 20 0 DHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cccs1 ZINC000104742626 336267046 /nfs/dbraw/zinc/26/70/46/336267046.db2.gz AWAYTCSPMVYXIS-OAHLLOKOSA-N -1 3 307.440 3.568 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@H]3C)nc2)n1 ZINC000301172294 336293273 /nfs/dbraw/zinc/29/32/73/336293273.db2.gz KIPMMWVRMYRJHD-IUODEOHRSA-N -1 3 312.417 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CCCC4)C3)nc2)n1 ZINC000301448166 336307425 /nfs/dbraw/zinc/30/74/25/336307425.db2.gz DUESMVNJINDZJL-UHFFFAOYSA-N -1 3 324.428 3.577 20 0 DHADHM Cc1c(F)ccc(Cl)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000355112697 336495086 /nfs/dbraw/zinc/49/50/86/336495086.db2.gz YEXUKQVYDUNIRR-UHFFFAOYSA-N -1 3 321.711 3.829 20 0 DHADHM O=C(Nc1cc(Cl)ccn1)c1cc([O-])ccc1C(F)(F)F ZINC000355540559 336513621 /nfs/dbraw/zinc/51/36/21/336513621.db2.gz GLCJQNUKEIFFTL-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1occ2c1CCC2 ZINC000355809505 336522991 /nfs/dbraw/zinc/52/29/91/336522991.db2.gz JIXOWPKSKHFXGG-UHFFFAOYSA-N -1 3 317.395 3.601 20 0 DHADHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000357304918 336580125 /nfs/dbraw/zinc/58/01/25/336580125.db2.gz MXEACPKBQSVQQM-FQEVSTJZSA-N -1 3 309.409 3.877 20 0 DHADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc([O-])c1 ZINC000357316086 336580326 /nfs/dbraw/zinc/58/03/26/336580326.db2.gz WBGPYHOYBBKHRH-KRWDZBQOSA-N -1 3 313.397 3.918 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000358202291 336616597 /nfs/dbraw/zinc/61/65/97/336616597.db2.gz PEYONOHIKALMQK-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)N(C)CC3)c2c([O-])cccc21 ZINC000358398138 336628332 /nfs/dbraw/zinc/62/83/32/336628332.db2.gz WGWGUGZZMATNPS-CYBMUJFWSA-N -1 3 322.408 3.539 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000358615729 336636958 /nfs/dbraw/zinc/63/69/58/336636958.db2.gz WQDPALPSUCDOFP-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1cccc(Cl)c1F ZINC000359406571 336671459 /nfs/dbraw/zinc/67/14/59/336671459.db2.gz ZMSDBJMHAFMXQB-CYBMUJFWSA-N -1 3 309.772 3.524 20 0 DHADHM CCCC[C@H](C)N(CCCC)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000359432908 336672836 /nfs/dbraw/zinc/67/28/36/336672836.db2.gz CFMRUJVEWWKAFZ-ZDUSSCGKSA-N -1 3 321.465 3.549 20 0 DHADHM CCC1CCC(N(C(=O)c2ccc(O)cc2[O-])C2CC2)CC1 ZINC000193250569 336691723 /nfs/dbraw/zinc/69/17/23/336691723.db2.gz ATBPUPOEUMODHV-UHFFFAOYSA-N -1 3 303.402 3.671 20 0 DHADHM CCC[C@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000362900972 336814284 /nfs/dbraw/zinc/81/42/84/336814284.db2.gz GIYZVTBBWXTEHF-LBPRGKRZSA-N -1 3 313.401 3.922 20 0 DHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C)ccc2[O-])n1 ZINC000367541533 336824711 /nfs/dbraw/zinc/82/47/11/336824711.db2.gz HQFOORDPSUIWHF-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(c3ncccc3Cl)CC2)n1 ZINC000372964381 336943734 /nfs/dbraw/zinc/94/37/34/336943734.db2.gz HJVQQCWDHQNRRX-UHFFFAOYSA-N -1 3 317.820 3.524 20 0 DHADHM CN(CCC(F)(F)F)Cc1cc([O-])ccc1Br ZINC000211489697 337011296 /nfs/dbraw/zinc/01/12/96/337011296.db2.gz LLPPQFXZHYMLCY-UHFFFAOYSA-N -1 3 312.129 3.539 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1occ2c1CCOC2 ZINC000375686765 337016522 /nfs/dbraw/zinc/01/65/22/337016522.db2.gz FZMTXJZHFJGTEB-UHFFFAOYSA-N -1 3 323.801 3.980 20 0 DHADHM Cc1ccc([C@@H]2CCCN2[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000375759133 337018868 /nfs/dbraw/zinc/01/88/68/337018868.db2.gz WSKIVDNRDKMIGP-OLZOCXBDSA-N -1 3 303.431 3.759 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1cccnc1 ZINC000376078022 337026458 /nfs/dbraw/zinc/02/64/58/337026458.db2.gz CUJPJMFRWNFQRV-SFHVURJKSA-N -1 3 318.376 3.918 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000377138929 337047477 /nfs/dbraw/zinc/04/74/77/337047477.db2.gz LPOPLZOIGNPKNM-OAHLLOKOSA-N -1 3 317.410 3.686 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cc(F)ccc2C)C(=O)[O-])c1 ZINC000426753866 337048063 /nfs/dbraw/zinc/04/80/63/337048063.db2.gz LRVTZXQILAYMKK-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM COc1ccc(SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000377459161 337052942 /nfs/dbraw/zinc/05/29/42/337052942.db2.gz UAGVALIJTKQJQS-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM COC(=O)c1cnc(SC/C=C/c2ccc(Cl)cc2)[n-]1 ZINC000193559535 337078406 /nfs/dbraw/zinc/07/84/06/337078406.db2.gz ZMUNXVPYWYXVCC-NSCUHMNNSA-N -1 3 308.790 3.655 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)ccc2F)CC)n1 ZINC000193618922 337078762 /nfs/dbraw/zinc/07/87/62/337078762.db2.gz PZRXQWJHHMTZCD-DHZHZOJOSA-N -1 3 304.340 3.951 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4[nH]ccc4c3)n[n-]2)o1 ZINC000171962092 337090509 /nfs/dbraw/zinc/09/05/09/337090509.db2.gz VGMZKPBFGPQHPK-UHFFFAOYSA-N -1 3 306.325 3.712 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4[nH]ccc4c3)[n-]n2)o1 ZINC000171962092 337090510 /nfs/dbraw/zinc/09/05/10/337090510.db2.gz VGMZKPBFGPQHPK-UHFFFAOYSA-N -1 3 306.325 3.712 20 0 DHADHM Cn1ccc(C(=O)Nc2c([O-])cccc2Cl)c1C1CCC1 ZINC000582735212 337127805 /nfs/dbraw/zinc/12/78/05/337127805.db2.gz CIOGMZPJIGAUDE-UHFFFAOYSA-N -1 3 304.777 3.904 20 0 DHADHM Cc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)c([O-])c1 ZINC000175639241 337146895 /nfs/dbraw/zinc/14/68/95/337146895.db2.gz WKFYEVYKDRTOJF-UHFFFAOYSA-N -1 3 317.429 3.512 20 0 DHADHM C[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)c1cc2ccccc2o1 ZINC000176284412 337150640 /nfs/dbraw/zinc/15/06/40/337150640.db2.gz LPNGPDCDWRNRSW-JTQLQIEISA-N -1 3 322.324 3.553 20 0 DHADHM C[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)c1cc2ccccc2o1 ZINC000176284412 337150641 /nfs/dbraw/zinc/15/06/41/337150641.db2.gz LPNGPDCDWRNRSW-JTQLQIEISA-N -1 3 322.324 3.553 20 0 DHADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2o1 ZINC000176284412 337150642 /nfs/dbraw/zinc/15/06/42/337150642.db2.gz LPNGPDCDWRNRSW-JTQLQIEISA-N -1 3 322.324 3.553 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C(F)F)c3)[n-]2)o1 ZINC000177824967 337157632 /nfs/dbraw/zinc/15/76/32/337157632.db2.gz FCEHIULOAWYNEZ-UHFFFAOYSA-N -1 3 318.283 3.563 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C(F)F)c3)n2)o1 ZINC000177824967 337157633 /nfs/dbraw/zinc/15/76/33/337157633.db2.gz FCEHIULOAWYNEZ-UHFFFAOYSA-N -1 3 318.283 3.563 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(C(F)F)c3)n[n-]2)o1 ZINC000177824967 337157634 /nfs/dbraw/zinc/15/76/34/337157634.db2.gz FCEHIULOAWYNEZ-UHFFFAOYSA-N -1 3 318.283 3.563 20 0 DHADHM CN(C(=O)Cc1ccc([O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000178236423 337161628 /nfs/dbraw/zinc/16/16/28/337161628.db2.gz JIOGHZJCWJMDFP-QGZVFWFLSA-N -1 3 315.800 3.734 20 0 DHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc([O-])c2)cc1 ZINC000178326543 337163939 /nfs/dbraw/zinc/16/39/39/337163939.db2.gz FETWZFJAVHDYIX-SFHVURJKSA-N -1 3 311.381 3.768 20 0 DHADHM CCN(Cc1ccc(OC)cc1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000582790737 337167289 /nfs/dbraw/zinc/16/72/89/337167289.db2.gz CKHJHBTZWVTNRO-GFCCVEGCSA-N -1 3 317.385 3.878 20 0 DHADHM CC1=NN(c2ccc(C(=O)Nc3c(C)cccc3[O-])cc2)CC1 ZINC000179543500 337170084 /nfs/dbraw/zinc/17/00/84/337170084.db2.gz FNSGBWREZGOGHR-UHFFFAOYSA-N -1 3 309.369 3.539 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2cccs2)on1 ZINC000180854523 337178183 /nfs/dbraw/zinc/17/81/83/337178183.db2.gz OFAOSEBDBBNUMX-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM O=C(c1cccc([O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000181845154 337185004 /nfs/dbraw/zinc/18/50/04/337185004.db2.gz AIKBYKKDKZEBBK-UHFFFAOYSA-N -1 3 307.349 3.828 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000181958181 337185575 /nfs/dbraw/zinc/18/55/75/337185575.db2.gz OAZDXICDVXFBNJ-CQSZACIVSA-N -1 3 322.364 3.553 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2cccc([O-])c2)[C@H]1c1ccccc1 ZINC000182469449 337186347 /nfs/dbraw/zinc/18/63/47/337186347.db2.gz NGTKSWWEHCTLOR-SUMWQHHRSA-N -1 3 313.422 3.711 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc([O-])c1 ZINC000182176779 337187167 /nfs/dbraw/zinc/18/71/67/337187167.db2.gz OJBMUBDXEMYXQV-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000182612016 337189151 /nfs/dbraw/zinc/18/91/51/337189151.db2.gz VWJLHQNGSZBMHK-NSHDSACASA-N -1 3 319.788 3.513 20 0 DHADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000182991889 337190909 /nfs/dbraw/zinc/19/09/09/337190909.db2.gz MVYGEBCDCGEPNN-HNNXBMFYSA-N -1 3 317.772 3.689 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000183063382 337191269 /nfs/dbraw/zinc/19/12/69/337191269.db2.gz QHFOWKHMAAZNKM-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])cc1F ZINC000183267654 337192611 /nfs/dbraw/zinc/19/26/11/337192611.db2.gz OLSWMIUQKULORB-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183274560 337192705 /nfs/dbraw/zinc/19/27/05/337192705.db2.gz AOCGEXINVFNFSH-LLVKDONJSA-N -1 3 305.374 3.792 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1=Cc2cc(Cl)ccc2OC1 ZINC000183280586 337192764 /nfs/dbraw/zinc/19/27/64/337192764.db2.gz SXIHKZPZMNYRCQ-UHFFFAOYSA-N -1 3 319.719 3.599 20 0 DHADHM CCc1coc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000583159484 337247840 /nfs/dbraw/zinc/24/78/40/337247840.db2.gz TUGMCRIBBDYCQZ-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000186213554 337254726 /nfs/dbraw/zinc/25/47/26/337254726.db2.gz KTGWFKRTVGPUJW-QGZVFWFLSA-N -1 3 321.779 3.758 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1[O-] ZINC000187456629 337265956 /nfs/dbraw/zinc/26/59/56/337265956.db2.gz MXELPIKGVZBWSE-GFCCVEGCSA-N -1 3 317.335 3.609 20 0 DHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188851799 337275826 /nfs/dbraw/zinc/27/58/26/337275826.db2.gz TVMXIUBUXWJKHV-UWVGGRQHSA-N -1 3 301.308 3.529 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H]3CCc4ccccc43)no2)c1 ZINC000321757569 337288598 /nfs/dbraw/zinc/28/85/98/337288598.db2.gz CCQLOZPEDCGBBD-AWEZNQCLSA-N -1 3 308.337 3.529 20 0 DHADHM CCc1nc(SCc2ccc3nc(C)[nH]c3c2)[n-]c(=O)c1C ZINC000583274277 337299999 /nfs/dbraw/zinc/29/99/99/337299999.db2.gz UTVFLXQKOCDSDG-UHFFFAOYSA-N -1 3 314.414 3.530 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)o1 ZINC000525952242 337307734 /nfs/dbraw/zinc/30/77/34/337307734.db2.gz ZYPUJDWXMUHGPU-NSHDSACASA-N -1 3 321.423 3.842 20 0 DHADHM COc1cccc2c(C(=O)N(CC3CC3)c3ccccc3)[n-]nc21 ZINC000584434773 337325508 /nfs/dbraw/zinc/32/55/08/337325508.db2.gz DCBTZNJEURODCO-UHFFFAOYSA-N -1 3 321.380 3.628 20 0 DHADHM COc1cccc2c(C(=O)N(CC3CC3)c3ccccc3)n[n-]c21 ZINC000584434773 337325509 /nfs/dbraw/zinc/32/55/09/337325509.db2.gz DCBTZNJEURODCO-UHFFFAOYSA-N -1 3 321.380 3.628 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000583776033 337332235 /nfs/dbraw/zinc/33/22/35/337332235.db2.gz NPPMXIHMTFITRC-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM CCc1cccc(-c2nc(Cc3ccc(F)c(F)c3)no2)c1[O-] ZINC000583791754 337333714 /nfs/dbraw/zinc/33/37/14/337333714.db2.gz ZCDFHIIMDBCUOJ-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM CCc1ccc2nc([N-]C(=O)c3cc(C4CC4)no3)sc2c1 ZINC000583850823 337342131 /nfs/dbraw/zinc/34/21/31/337342131.db2.gz DVPARUYWHAUVIQ-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000584534841 337357781 /nfs/dbraw/zinc/35/77/81/337357781.db2.gz GJLGCCKEKCMNCV-ZDUSSCGKSA-N -1 3 317.385 3.878 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1sccc1Cl ZINC000514681531 337389454 /nfs/dbraw/zinc/38/94/54/337389454.db2.gz YSYIRMKMSRQCPK-UHFFFAOYSA-N -1 3 303.840 3.791 20 0 DHADHM CCCOc1cc(OC)ccc1C(=O)Nc1cccc([O-])c1F ZINC000190915956 337397237 /nfs/dbraw/zinc/39/72/37/337397237.db2.gz FOIHBOBZVMBODH-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1)OC ZINC000421141360 337523121 /nfs/dbraw/zinc/52/31/21/337523121.db2.gz PETPWGXTTLLBAM-QGZVFWFLSA-N -1 3 319.426 3.520 20 0 DHADHM CCOc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1OC ZINC000069693527 337545919 /nfs/dbraw/zinc/54/59/19/337545919.db2.gz XKSCAMTWPKPDIP-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM CC[C@H](C)[C@H](NCc1nc2ccccc2c(C)c1Cl)C(=O)[O-] ZINC000263035181 337623404 /nfs/dbraw/zinc/62/34/04/337623404.db2.gz BSTCYUZCDHXLPN-QFYYESIMSA-N -1 3 320.820 3.786 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CNCCC(C)(C)C(=O)[O-] ZINC000263055833 337623740 /nfs/dbraw/zinc/62/37/40/337623740.db2.gz LPWWPVJVRCFLPJ-UHFFFAOYSA-N -1 3 320.216 3.593 20 0 DHADHM CC(C)C[C@@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263485622 337630431 /nfs/dbraw/zinc/63/04/31/337630431.db2.gz MMYGZWNLILUJLI-VIFPVBQESA-N -1 3 310.246 3.891 20 0 DHADHM C[C@@H](N(C)C(=O)c1cc([O-])cc(Br)c1)C(C)(C)C ZINC000527830397 337767282 /nfs/dbraw/zinc/76/72/82/337767282.db2.gz BJSLRNASXHHXAS-SECBINFHSA-N -1 3 314.223 3.661 20 0 DHADHM COCc1cccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000116979576 337845504 /nfs/dbraw/zinc/84/55/04/337845504.db2.gz UOVZMCHAJXAWLZ-UHFFFAOYSA-N -1 3 305.761 3.753 20 0 DHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000057123681 337855196 /nfs/dbraw/zinc/85/51/96/337855196.db2.gz YWUZYDITZMSXQB-CYBMUJFWSA-N -1 3 305.399 3.665 20 0 DHADHM CCc1ccc([O-])c(-c2nc(Cc3ccc(F)c(F)c3)no2)c1 ZINC000445449537 337862858 /nfs/dbraw/zinc/86/28/58/337862858.db2.gz ZCCBQWQZVTUIOV-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1cccc(Cl)c1Cl ZINC000424613980 337918313 /nfs/dbraw/zinc/91/83/13/337918313.db2.gz HJWRDILADJCRLM-BXKDBHETSA-N -1 3 304.217 3.828 20 0 DHADHM CN(Cc1cc(C(=O)[O-])ccc1Cl)C1Cc2ccccc2C1 ZINC000516075833 338003991 /nfs/dbraw/zinc/00/39/91/338003991.db2.gz GQFXMCBNRSZXSZ-UHFFFAOYSA-N -1 3 315.800 3.637 20 0 DHADHM CC(=Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccc(F)cc1 ZINC000516369445 338011996 /nfs/dbraw/zinc/01/19/96/338011996.db2.gz HGVZSRQCTLJPCD-NTMALXAHSA-N -1 3 321.315 3.708 20 0 DHADHM COc1cc(OC)cc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000445452022 338016546 /nfs/dbraw/zinc/01/65/46/338016546.db2.gz NPNBYVQEBYLGFG-VOTSOKGWSA-N -1 3 324.336 3.630 20 0 DHADHM CC(C)c1ccccc1N(C)C(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000426176034 338022279 /nfs/dbraw/zinc/02/22/79/338022279.db2.gz KQOQIRKWFIGPHS-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM CC(C)c1ccccc1N(C)C(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000426176034 338022280 /nfs/dbraw/zinc/02/22/80/338022280.db2.gz KQOQIRKWFIGPHS-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM O=C([O-])CC1(CNCc2csc(-c3cccs3)n2)CCC1 ZINC000426644551 338036757 /nfs/dbraw/zinc/03/67/57/338036757.db2.gz DNKJPLGYNDTOGH-UHFFFAOYSA-N -1 3 322.455 3.606 20 0 DHADHM Cc1ccccc1C[C@H](CNCc1ccsc1Cl)C(=O)[O-] ZINC000426650427 338036974 /nfs/dbraw/zinc/03/69/74/338036974.db2.gz CJZYLAPCJFYBDJ-CQSZACIVSA-N -1 3 323.845 3.743 20 0 DHADHM C[C@H](CCC(=O)[O-])CNCc1cc(Cl)ccc1OC(F)F ZINC000426653838 338037129 /nfs/dbraw/zinc/03/71/29/338037129.db2.gz GBZSNFCPFXZKOJ-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM CC[C@@H](CNCc1cc(Cl)c(OC)cc1Cl)CC(=O)[O-] ZINC000426673273 338037749 /nfs/dbraw/zinc/03/77/49/338037749.db2.gz FDPSLFUTEZQLEW-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM Cc1ccc(C[C@@H](CNCc2ccsc2Cl)C(=O)[O-])cc1 ZINC000426673082 338037756 /nfs/dbraw/zinc/03/77/56/338037756.db2.gz DJCAADVOSKZODN-AWEZNQCLSA-N -1 3 323.845 3.743 20 0 DHADHM O=C([O-])CCCCCNCc1ncc(-c2ccccc2)s1 ZINC000426686131 338038097 /nfs/dbraw/zinc/03/80/97/338038097.db2.gz LQZAHLZRWGNCOJ-UHFFFAOYSA-N -1 3 304.415 3.545 20 0 DHADHM O=C([O-])C[C@@H](NCc1cccc2cc[nH]c21)c1ccsc1 ZINC000426691712 338038253 /nfs/dbraw/zinc/03/82/53/338038253.db2.gz KPDLFCJHJNDLPG-CQSZACIVSA-N -1 3 300.383 3.535 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000426722309 338039172 /nfs/dbraw/zinc/03/91/72/338039172.db2.gz HDMDYLJJPAJRKH-HWPZZCPQSA-N -1 3 323.314 3.656 20 0 DHADHM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426729743 338039598 /nfs/dbraw/zinc/03/95/98/338039598.db2.gz GNGJBXYGTCGUCZ-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cccc([C@@H](NCc2cc(F)ccc2C)C(=O)[O-])c1C ZINC000426738641 338040083 /nfs/dbraw/zinc/04/00/83/338040083.db2.gz XTXZVTFFDRCJAU-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000426744936 338040322 /nfs/dbraw/zinc/04/03/22/338040322.db2.gz YNTUUNFSTOYPIV-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1ccsc1Cl ZINC000426749425 338040574 /nfs/dbraw/zinc/04/05/74/338040574.db2.gz FUVWRYYTGBLVLU-NWDGAFQWSA-N -1 3 301.839 3.915 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000426758130 338041016 /nfs/dbraw/zinc/04/10/16/338041016.db2.gz GYGUZRVUQPHTPI-BLLLJJGKSA-N -1 3 303.789 3.892 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000426759334 338041131 /nfs/dbraw/zinc/04/11/31/338041131.db2.gz MJCRLZIQCZLYLI-WBMJQRKESA-N -1 3 303.789 3.892 20 0 DHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2)c1 ZINC000426764271 338041308 /nfs/dbraw/zinc/04/13/08/338041308.db2.gz WKAPVBDUZIVLNR-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000429847512 338091075 /nfs/dbraw/zinc/09/10/75/338091075.db2.gz CNKDIIMHZCSJBW-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM Cc1cc2c(nc(-c3ccc(Br)cn3)[n-]c2=O)s1 ZINC000431052905 338121346 /nfs/dbraw/zinc/12/13/46/338121346.db2.gz JCCVOYIHMGPFLL-UHFFFAOYSA-N -1 3 322.187 3.530 20 0 DHADHM Cn1c2ccc(F)cc2nc1-c1cc([O-])ccc1Br ZINC000431194175 338125511 /nfs/dbraw/zinc/12/55/11/338125511.db2.gz SFHGNFPYUPWFLW-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC000431525681 338133283 /nfs/dbraw/zinc/13/32/83/338133283.db2.gz QHZUVJHNVRWANI-AWEZNQCLSA-N -1 3 315.800 3.893 20 0 DHADHM Cc1ccccc1OCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000431635460 338135109 /nfs/dbraw/zinc/13/51/09/338135109.db2.gz LBYOLEHOPJVWFV-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM COC(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)c[n-]1 ZINC000431684725 338136353 /nfs/dbraw/zinc/13/63/53/338136353.db2.gz GXRRYVFABKTHIC-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM O=C(Nc1cccc(-c2ncco2)c1)c1cc([O-])ccc1Cl ZINC000431824804 338139448 /nfs/dbraw/zinc/13/94/48/338139448.db2.gz RQAOKAGIFCTSIC-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)Sc1ccccc1 ZINC000431846169 338139890 /nfs/dbraw/zinc/13/98/90/338139890.db2.gz RLSBWUVEHBKCDZ-NSHDSACASA-N -1 3 321.829 3.956 20 0 DHADHM O=C(NC[C@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000431901343 338141408 /nfs/dbraw/zinc/14/14/08/338141408.db2.gz XDPMPNYYJPMLTR-CYBMUJFWSA-N -1 3 315.800 3.896 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)ccc1Cl ZINC000432886849 338171969 /nfs/dbraw/zinc/17/19/69/338171969.db2.gz PSFBRELCLWJZLP-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM O=C([N-]c1cccc2cccnc21)c1noc(-c2ccccc2)n1 ZINC000433110858 338182214 /nfs/dbraw/zinc/18/22/14/338182214.db2.gz QSMLETMEXMMHOA-UHFFFAOYSA-N -1 3 316.320 3.537 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2ccoc2Cl)c1F ZINC000433857030 338203522 /nfs/dbraw/zinc/20/35/22/338203522.db2.gz ZKUXFQJISPJBDQ-UHFFFAOYSA-N -1 3 301.676 3.862 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCC2(CC2)CC1 ZINC000434300212 338214231 /nfs/dbraw/zinc/21/42/31/338214231.db2.gz NAWNBTVQLOPWNX-UHFFFAOYSA-N -1 3 305.393 3.693 20 0 DHADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000435802856 338249896 /nfs/dbraw/zinc/24/98/96/338249896.db2.gz ZQHWVBWNBLNMJK-KRWDZBQOSA-N -1 3 315.344 3.564 20 0 DHADHM CCCCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435825609 338250540 /nfs/dbraw/zinc/25/05/40/338250540.db2.gz LNBKZFUTEYIQOC-UHFFFAOYSA-N -1 3 311.381 3.543 20 0 DHADHM Cc1cc2cc[nH]c2cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000435845065 338250811 /nfs/dbraw/zinc/25/08/11/338250811.db2.gz KILHXVMBRVPCEB-UHFFFAOYSA-N -1 3 317.352 3.514 20 0 DHADHM [O-]c1cccc(/C=C/c2nc([C@H]3CCOc4ccccc43)no2)c1 ZINC000435956057 338254140 /nfs/dbraw/zinc/25/41/40/338254140.db2.gz RVEHWDNHZDFJIZ-FDMDGMSGSA-N -1 3 320.348 3.860 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)ccc1[O-] ZINC000435957653 338254292 /nfs/dbraw/zinc/25/42/92/338254292.db2.gz KCWPBSRJUNYHIF-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000436530339 338275439 /nfs/dbraw/zinc/27/54/39/338275439.db2.gz DQLDHJIGSAUSIY-STQMWFEESA-N -1 3 314.291 3.992 20 0 DHADHM CCn1nccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436532286 338275483 /nfs/dbraw/zinc/27/54/83/338275483.db2.gz GYVBDLHGSQJRQA-UHFFFAOYSA-N -1 3 323.352 3.653 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2C)c([O-])c1 ZINC000436551364 338276675 /nfs/dbraw/zinc/27/66/75/338276675.db2.gz NPRLQZLZPSSVEK-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM COc1ccc(OC(C)C)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436555548 338276928 /nfs/dbraw/zinc/27/69/28/338276928.db2.gz JGVMHYQUULYTIZ-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c([O-])c1C ZINC000436587704 338278571 /nfs/dbraw/zinc/27/85/71/338278571.db2.gz ZIKCOPBRJAQFEN-FQEVSTJZSA-N -1 3 309.409 3.813 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1[O-] ZINC000436589273 338278709 /nfs/dbraw/zinc/27/87/09/338278709.db2.gz PNDNJDIHHFXXNP-DOTOQJQBSA-N -1 3 309.409 3.966 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c([O-])c1 ZINC000436603210 338279490 /nfs/dbraw/zinc/27/94/90/338279490.db2.gz LRJNBURPMDATNN-GOSISDBHSA-N -1 3 310.397 3.792 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000436603080 338279530 /nfs/dbraw/zinc/27/95/30/338279530.db2.gz LCPHKOYUEPUOMK-QGZVFWFLSA-N -1 3 309.409 3.966 20 0 DHADHM CC(C)(C)Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436648219 338281380 /nfs/dbraw/zinc/28/13/80/338281380.db2.gz NBJQKBQKYLDNAX-UHFFFAOYSA-N -1 3 301.342 3.527 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436680624 338282670 /nfs/dbraw/zinc/28/26/70/338282670.db2.gz OHTPKKWNDZVSDL-AWEZNQCLSA-N -1 3 323.314 3.777 20 0 DHADHM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000155474050 338282769 /nfs/dbraw/zinc/28/27/69/338282769.db2.gz YKMQBSWLKABUQW-UHFFFAOYSA-N -1 3 312.344 3.559 20 0 DHADHM CCOc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cc1F ZINC000436689849 338282999 /nfs/dbraw/zinc/28/29/99/338282999.db2.gz SDJFQBTXUUNCNS-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@H](C)C1 ZINC000436705903 338283491 /nfs/dbraw/zinc/28/34/91/338283491.db2.gz OPFXQPWHVQTZOL-KBPBESRZSA-N -1 3 305.418 3.919 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)ccc1[O-] ZINC000436704944 338283616 /nfs/dbraw/zinc/28/36/16/338283616.db2.gz IGVAARDYRKZVOR-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM O=C(Nc1ccc2nc[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC000436710343 338283646 /nfs/dbraw/zinc/28/36/46/338283646.db2.gz SJFGRVUXIBSCKH-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM COc1ccccc1SCc1nc(-c2ccc([O-])cc2)no1 ZINC000436730596 338284416 /nfs/dbraw/zinc/28/44/16/338284416.db2.gz HEODQWYKTUHVNQ-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)Cc2occc2C)c([O-])c1 ZINC000436739287 338284781 /nfs/dbraw/zinc/28/47/81/338284781.db2.gz NQFMDFKRWRZQPG-UHFFFAOYSA-N -1 3 317.385 3.745 20 0 DHADHM Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)ccc1[O-] ZINC000436741944 338285003 /nfs/dbraw/zinc/28/50/03/338285003.db2.gz DIOUGJBDBHFECI-UHFFFAOYSA-N -1 3 313.401 3.683 20 0 DHADHM Cn1cccc1[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436753068 338285378 /nfs/dbraw/zinc/28/53/78/338285378.db2.gz BTDZYPKVGVNKPW-GOSISDBHSA-N -1 3 324.424 3.587 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c([O-])c1C ZINC000436759780 338285947 /nfs/dbraw/zinc/28/59/47/338285947.db2.gz GHJHEELNPOWGBT-ZDUSSCGKSA-N -1 3 301.361 3.981 20 0 DHADHM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436757854 338286049 /nfs/dbraw/zinc/28/60/49/338286049.db2.gz VJQRZEXPHLLHTO-GFCCVEGCSA-N -1 3 323.392 3.697 20 0 DHADHM CCCCN(CCO)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436761685 338286091 /nfs/dbraw/zinc/28/60/91/338286091.db2.gz NDIJSSAMLLMTIR-UHFFFAOYSA-N -1 3 321.461 3.874 20 0 DHADHM COc1ccc(C)cc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436766882 338286328 /nfs/dbraw/zinc/28/63/28/338286328.db2.gz FEXSYRNSVZKXEE-UXBLZVDNSA-N -1 3 308.337 3.930 20 0 DHADHM Cc1ccc(C)c(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770781 338286679 /nfs/dbraw/zinc/28/66/79/338286679.db2.gz URNISLAIXIUIIB-UHFFFAOYSA-N -1 3 322.364 3.875 20 0 DHADHM COc1cc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc(OC)c1 ZINC000436770488 338286796 /nfs/dbraw/zinc/28/67/96/338286796.db2.gz MRFRLFLGKXVAQN-FPYGCLRLSA-N -1 3 324.336 3.630 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1 ZINC000436771192 338286813 /nfs/dbraw/zinc/28/68/13/338286813.db2.gz YJHDXVLBECMSDE-UHFFFAOYSA-N -1 3 302.717 3.675 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c([O-])c1C ZINC000436786932 338287314 /nfs/dbraw/zinc/28/73/14/338287314.db2.gz UFLPDMCNOMHGSA-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)c([O-])c1C ZINC000436797631 338287820 /nfs/dbraw/zinc/28/78/20/338287820.db2.gz GYPVJLNTBCCQOC-WFASDCNBSA-N -1 3 317.335 3.573 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c([O-])c1 ZINC000436803511 338287881 /nfs/dbraw/zinc/28/78/81/338287881.db2.gz PMOOTZCKXCNKKI-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c([O-])c1 ZINC000436801506 338288004 /nfs/dbraw/zinc/28/80/04/338288004.db2.gz BVDLYCQOFFWCDG-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CCCCN(C(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000436806913 338288105 /nfs/dbraw/zinc/28/81/05/338288105.db2.gz XEDYVHZKFWYNCN-UHFFFAOYSA-N -1 3 305.418 3.976 20 0 DHADHM COc1cccc(C(=O)NCc2ccc(-c3ccccc3)o2)c1[O-] ZINC000436811893 338288286 /nfs/dbraw/zinc/28/82/86/338288286.db2.gz WAZSDVVOXAXRHQ-UHFFFAOYSA-N -1 3 323.348 3.591 20 0 DHADHM Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)c([O-])c1C ZINC000436816615 338288388 /nfs/dbraw/zinc/28/83/88/338288388.db2.gz STGOBHUREMRYQW-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2ccc3c(c2[O-])CCCC3)CC12CCC2 ZINC000436825643 338288774 /nfs/dbraw/zinc/28/87/74/338288774.db2.gz GYSNKTCJPZNEHY-SFHVURJKSA-N -1 3 313.441 3.922 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436829914 338288977 /nfs/dbraw/zinc/28/89/77/338288977.db2.gz BNYNLCLGMCLWBM-KRWDZBQOSA-N -1 3 309.409 3.659 20 0 DHADHM CCc1ccc(C(=O)N(CC)[C@H](CC)c2ccncc2)c([O-])c1 ZINC000436835354 338289114 /nfs/dbraw/zinc/28/91/14/338289114.db2.gz VXLWZIWMVSUTNZ-QGZVFWFLSA-N -1 3 312.413 3.963 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CC2(O)CCCCCC2)c([O-])c1 ZINC000436834903 338289195 /nfs/dbraw/zinc/28/91/95/338289195.db2.gz SBWWYVRHLCXTNA-UHFFFAOYSA-N -1 3 319.445 3.673 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)c([O-])c1 ZINC000436837052 338289363 /nfs/dbraw/zinc/28/93/63/338289363.db2.gz NJJOBQJUUSSLST-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cc3ccccc3o2)c([O-])c1 ZINC000436836593 338289437 /nfs/dbraw/zinc/28/94/37/338289437.db2.gz ZWORDKGLTVFQTJ-UHFFFAOYSA-N -1 3 309.365 3.973 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)c(C)c1 ZINC000436855544 338289989 /nfs/dbraw/zinc/28/99/89/338289989.db2.gz XJZYGBZKZCTCBB-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM COc1cc(-c2noc([C@H](F)Cc3ccccc3)n2)ccc1[O-] ZINC000436858245 338290170 /nfs/dbraw/zinc/29/01/70/338290170.db2.gz ZYCDDICTBCWVFN-CYBMUJFWSA-N -1 3 314.316 3.704 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[O-] ZINC000436858348 338290267 /nfs/dbraw/zinc/29/02/67/338290267.db2.gz DTMVVKQQJDYMCD-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CC[C@H]1CCCC[C@@H]1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436867556 338290557 /nfs/dbraw/zinc/29/05/57/338290557.db2.gz CYXOPVJSZJGWJO-WFASDCNBSA-N -1 3 302.374 3.928 20 0 DHADHM CCOc1cc(-c2noc(C3(CC(C)C)CC3)n2)ccc1[O-] ZINC000436867925 338290657 /nfs/dbraw/zinc/29/06/57/338290657.db2.gz GDDSVFKFMGSMDL-UHFFFAOYSA-N -1 3 302.374 3.919 20 0 DHADHM [O-]c1ccc(-c2noc(C3(Oc4ccccc4F)CC3)n2)cc1 ZINC000436874052 338291128 /nfs/dbraw/zinc/29/11/28/338291128.db2.gz YTLQLAQUIBNOJO-UHFFFAOYSA-N -1 3 312.300 3.649 20 0 DHADHM CCOc1cc(-c2noc([C@H](C)c3ccccc3)n2)ccc1[O-] ZINC000436879648 338291504 /nfs/dbraw/zinc/29/15/04/338291504.db2.gz XXYLEXWQQHXIAY-GFCCVEGCSA-N -1 3 310.353 3.993 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(Br)cs3)n2)cc1 ZINC000436886669 338291683 /nfs/dbraw/zinc/29/16/83/338291683.db2.gz HXRAWWVJYDDUFY-UHFFFAOYSA-N -1 3 323.171 3.933 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3c(C)cc(C)cc3C)no2)c1 ZINC000436886675 338291698 /nfs/dbraw/zinc/29/16/98/338291698.db2.gz IAKYBYYFCRBYRY-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM C[C@@H](Oc1ccccc1F)c1nc(-c2ccc([O-])cc2)no1 ZINC000436884979 338291817 /nfs/dbraw/zinc/29/18/17/338291817.db2.gz BXLCNPZGWDPXDN-SNVBAGLBSA-N -1 3 300.289 3.721 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)cc1 ZINC000436890806 338292131 /nfs/dbraw/zinc/29/21/31/338292131.db2.gz CUOZVFCBCBGBLK-JXMROGBWSA-N -1 3 316.320 3.556 20 0 DHADHM COc1cccc(-c2nc(Cc3cc(C)ccc3C)no2)c1[O-] ZINC000436893099 338292318 /nfs/dbraw/zinc/29/23/18/338292318.db2.gz MNGDUUDPTMTLTQ-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1ccc([C@H](NC(=O)c2ccc([O-])c(C)c2)C2CC2)cc1 ZINC000436898244 338292543 /nfs/dbraw/zinc/29/25/43/338292543.db2.gz XERDPXZMAGCKJE-GOSISDBHSA-N -1 3 311.381 3.590 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)ccc1[O-] ZINC000436900099 338292632 /nfs/dbraw/zinc/29/26/32/338292632.db2.gz GQYSIOBXZXKOLK-OAHLLOKOSA-N -1 3 324.424 3.792 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC(C3CCCC3)C2)c([O-])c1 ZINC000436901924 338292783 /nfs/dbraw/zinc/29/27/83/338292783.db2.gz DKKNHLPKXJXQSZ-UHFFFAOYSA-N -1 3 317.429 3.833 20 0 DHADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436903176 338292856 /nfs/dbraw/zinc/29/28/56/338292856.db2.gz SJYSAUNAYJBNSX-UHFFFAOYSA-N -1 3 312.369 3.610 20 0 DHADHM Cc1cc(C(=O)NC[C@H](C)Sc2ccccc2)ccc1[O-] ZINC000436905337 338292901 /nfs/dbraw/zinc/29/29/01/338292901.db2.gz SBHYSSIDMJYCCM-ZDUSSCGKSA-N -1 3 301.411 3.611 20 0 DHADHM CCOCc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cc1 ZINC000436912638 338293183 /nfs/dbraw/zinc/29/31/83/338293183.db2.gz XTSREDZMAAUGLZ-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(F)cc3C)no2)c1[O-] ZINC000436923816 338293558 /nfs/dbraw/zinc/29/35/58/338293558.db2.gz AQZFMLYSOKBEPK-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM Cc1cc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)ccc1[O-] ZINC000436923947 338293714 /nfs/dbraw/zinc/29/37/14/338293714.db2.gz VTAOGQSZJIQLBM-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1[O-] ZINC000436927384 338293805 /nfs/dbraw/zinc/29/38/05/338293805.db2.gz PJSHMFMUAPWJBJ-VIFPVBQESA-N -1 3 302.399 3.534 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1[O-] ZINC000436927921 338293835 /nfs/dbraw/zinc/29/38/35/338293835.db2.gz UPVPMYUIEMMAFS-CRAIPNDOSA-N -1 3 309.409 3.966 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H](C)c3cccs3)no2)c1 ZINC000436933637 338294160 /nfs/dbraw/zinc/29/41/60/338294160.db2.gz CRHKCCHIMHZKSR-SECBINFHSA-N -1 3 302.355 3.664 20 0 DHADHM Cc1cccc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)c1[O-] ZINC000436935896 338294500 /nfs/dbraw/zinc/29/45/00/338294500.db2.gz DQIUGPGIADGHAM-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc(CNC(=O)c2ccc([O-])c(C)c2)c(OC(C)C)c1 ZINC000436940936 338294717 /nfs/dbraw/zinc/29/47/17/338294717.db2.gz YXQQUHPNDFHBLL-UHFFFAOYSA-N -1 3 313.397 3.726 20 0 DHADHM Cc1ccc(-c2nc(-c3cncc4ccccc43)no2)c([O-])c1 ZINC000436939804 338294748 /nfs/dbraw/zinc/29/47/48/338294748.db2.gz RCRKAIDMDFCCQY-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000436940061 338294755 /nfs/dbraw/zinc/29/47/55/338294755.db2.gz SXQZBGQSDDGBGE-MRXNPFEDSA-N -1 3 313.397 3.980 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436940643 338294775 /nfs/dbraw/zinc/29/47/75/338294775.db2.gz XELJJXDVJOQAJK-INIZCTEOSA-N -1 3 311.381 3.517 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc([O-])c(C)c1 ZINC000436940644 338294801 /nfs/dbraw/zinc/29/48/01/338294801.db2.gz XELJJXDVJOQAJK-MRXNPFEDSA-N -1 3 311.381 3.517 20 0 DHADHM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436940998 338294803 /nfs/dbraw/zinc/29/48/03/338294803.db2.gz ZDVQFIZAMHABLF-UHFFFAOYSA-N -1 3 321.323 3.540 20 0 DHADHM CC[C@H](C)Oc1cc(-c2noc(-c3ccccc3[O-])n2)ccn1 ZINC000436942858 338294911 /nfs/dbraw/zinc/29/49/11/338294911.db2.gz JORWWNWYPJFMOV-NSHDSACASA-N -1 3 311.341 3.682 20 0 DHADHM COc1ccccc1C1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000436946798 338295099 /nfs/dbraw/zinc/29/50/99/338295099.db2.gz BWMVNZSBAGODGL-UHFFFAOYSA-N -1 3 308.337 3.531 20 0 DHADHM CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436944306 338295164 /nfs/dbraw/zinc/29/51/64/338295164.db2.gz BMNZLMJGCCMSOQ-UHFFFAOYSA-N -1 3 313.372 3.682 20 0 DHADHM CCN(Cc1cccs1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436948048 338295257 /nfs/dbraw/zinc/29/52/57/338295257.db2.gz NREKTMPGRMHJAJ-UHFFFAOYSA-N -1 3 315.438 3.995 20 0 DHADHM Cc1ccc([O-])c(-c2nc(CCCc3ccsc3)no2)c1 ZINC000436949891 338295387 /nfs/dbraw/zinc/29/53/87/338295387.db2.gz TVCVJKIHAFIBLQ-UHFFFAOYSA-N -1 3 300.383 3.987 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(CCc2ccco2)no1 ZINC000436948638 338295422 /nfs/dbraw/zinc/29/54/22/338295422.db2.gz XFNJKEGPUCWDFB-UHFFFAOYSA-N -1 3 306.321 3.974 20 0 DHADHM CC(C)c1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000436950830 338295475 /nfs/dbraw/zinc/29/54/75/338295475.db2.gz WEHAWHIXEWTEHJ-YPMHNXCESA-N -1 3 302.374 3.848 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]1Cc1ccccc1 ZINC000436964008 338296042 /nfs/dbraw/zinc/29/60/42/338296042.db2.gz LCOIBXLTZBFCLJ-QGZVFWFLSA-N -1 3 321.420 3.728 20 0 DHADHM CCCN(C(=O)c1ccccc1[O-])[C@H]1CCCc2cccnc21 ZINC000436972046 338296356 /nfs/dbraw/zinc/29/63/56/338296356.db2.gz MNPDSBLSRZBLAY-INIZCTEOSA-N -1 3 310.397 3.717 20 0 DHADHM Cc1ccc(C(=O)N2CCc3cc(Cl)ccc3C2)c([O-])c1 ZINC000436995797 338297218 /nfs/dbraw/zinc/29/72/18/338297218.db2.gz DZMMEVCURKPZHH-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM CC(=O)Nc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000437003242 338297328 /nfs/dbraw/zinc/29/73/28/338297328.db2.gz ZZCGLTWPMUSRRP-UHFFFAOYSA-N -1 3 323.352 3.684 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1[O-] ZINC000437280340 338305893 /nfs/dbraw/zinc/30/58/93/338305893.db2.gz ZRCIJLFOWMZRPL-LSDHHAIUSA-N -1 3 301.773 3.640 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000437364006 338307952 /nfs/dbraw/zinc/30/79/52/338307952.db2.gz NLVXDJDGTFWBSO-SWLSCSKDSA-N -1 3 319.763 3.779 20 0 DHADHM CCc1occc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000437827118 338322703 /nfs/dbraw/zinc/32/27/03/338322703.db2.gz ZGMCUSVTOYDSRS-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM CCc1occc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000437827118 338322704 /nfs/dbraw/zinc/32/27/04/338322704.db2.gz ZGMCUSVTOYDSRS-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM CCc1occc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000437827118 338322705 /nfs/dbraw/zinc/32/27/05/338322705.db2.gz ZGMCUSVTOYDSRS-UHFFFAOYSA-N -1 3 322.324 3.626 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880545 338354673 /nfs/dbraw/zinc/35/46/73/338354673.db2.gz ISLSABJWBGKNBN-VXGBXAGGSA-N -1 3 323.179 3.836 20 0 DHADHM CC(C)C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000439754219 338377211 /nfs/dbraw/zinc/37/72/11/338377211.db2.gz DEXFQKZFCDGUTQ-UHFFFAOYSA-N -1 3 300.196 3.775 20 0 DHADHM CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000448628221 338381170 /nfs/dbraw/zinc/38/11/70/338381170.db2.gz QTWWYFAKVAMURZ-GOSISDBHSA-N -1 3 319.351 3.726 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2c(F)cccc2OC)c1 ZINC000440142907 338383670 /nfs/dbraw/zinc/38/36/70/338383670.db2.gz DDLXVXWSFOLLMK-NSHDSACASA-N -1 3 317.360 3.593 20 0 DHADHM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000440156130 338383773 /nfs/dbraw/zinc/38/37/73/338383773.db2.gz OFQGZUWWRJUKBO-LBPRGKRZSA-N -1 3 317.360 3.648 20 0 DHADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000440156129 338383787 /nfs/dbraw/zinc/38/37/87/338383787.db2.gz OFQGZUWWRJUKBO-GFCCVEGCSA-N -1 3 317.360 3.648 20 0 DHADHM Cc1ccccc1[C@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448663573 338420921 /nfs/dbraw/zinc/42/09/21/338420921.db2.gz FXANAVZNMRNIAX-ZDUSSCGKSA-N -1 3 301.361 3.602 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2ncccc2SCC)s1 ZINC000449236853 338605162 /nfs/dbraw/zinc/60/51/62/338605162.db2.gz ZKDHBNLXJSTZJE-UHFFFAOYSA-N -1 3 322.459 3.640 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449347732 338615857 /nfs/dbraw/zinc/61/58/57/338615857.db2.gz DPWUPWPDZQPRCO-KRWDZBQOSA-N -1 3 307.315 3.977 20 0 DHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(Br)ccc1[O-] ZINC000450045835 338664653 /nfs/dbraw/zinc/66/46/53/338664653.db2.gz HFRQJGCYLRPFTO-YWVKMMECSA-N -1 3 310.191 3.529 20 0 DHADHM COC1(c2noc(/C=C/c3cccc([O-])c3)n2)CCCCC1 ZINC000453249633 338814020 /nfs/dbraw/zinc/81/40/20/338814020.db2.gz YCUJCMSQDLHSEV-CMDGGOBGSA-N -1 3 300.358 3.751 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1[O-] ZINC000195697449 338914309 /nfs/dbraw/zinc/91/43/09/338914309.db2.gz KYZZCKFWXJPLFP-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CC[C@H](CC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000457684805 338974948 /nfs/dbraw/zinc/97/49/48/338974948.db2.gz ZLCCYBQLWDEEBB-SSDOTTSWSA-N -1 3 322.149 3.775 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3C[C@H]4CCCC[C@@H]4C3)c[n-]c12 ZINC000164568715 339002499 /nfs/dbraw/zinc/00/24/99/339002499.db2.gz QXWCUWDUHUBLNJ-ZIAGYGMSSA-N -1 3 310.397 3.511 20 0 DHADHM CCN(Cc1ccccn1)Cc1cccc([O-])c1Br ZINC000459340150 339022882 /nfs/dbraw/zinc/02/28/82/339022882.db2.gz DSHIYGMAFVYVML-UHFFFAOYSA-N -1 3 321.218 3.572 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1c(F)cccc1Cl ZINC000459380362 339025968 /nfs/dbraw/zinc/02/59/68/339025968.db2.gz BHKKOFVJFFJYTK-VIFPVBQESA-N -1 3 321.783 3.703 20 0 DHADHM CC(C)Cn1cc(NCc2cccc([O-])c2Br)cn1 ZINC000459456637 339030131 /nfs/dbraw/zinc/03/01/31/339030131.db2.gz PBYOBFYNKYHTGC-UHFFFAOYSA-N -1 3 324.222 3.619 20 0 DHADHM CCOc1cc(CN[C@H](C)c2ncc(C)o2)cc(Cl)c1[O-] ZINC000459468228 339030948 /nfs/dbraw/zinc/03/09/48/339030948.db2.gz BRFUGKHTOMPURL-SNVBAGLBSA-N -1 3 310.781 3.592 20 0 DHADHM CCOc1cc(CN2CCS[C@H](C)CC2)cc(Cl)c1[O-] ZINC000459511101 339033396 /nfs/dbraw/zinc/03/33/96/339033396.db2.gz PIPSUVYIRJRLDY-LLVKDONJSA-N -1 3 315.866 3.772 20 0 DHADHM [O-]c1cccc(CNCC2(C(F)(F)F)CC2)c1Br ZINC000459532462 339034303 /nfs/dbraw/zinc/03/43/03/339034303.db2.gz FDMHFHKOSOIUGJ-UHFFFAOYSA-N -1 3 324.140 3.587 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C1CC1 ZINC000460963321 339056026 /nfs/dbraw/zinc/05/60/26/339056026.db2.gz ZQKGAUKGSFJGCB-KRWDZBQOSA-N -1 3 305.393 3.501 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)(C)c1ccccc1 ZINC000462356436 339076514 /nfs/dbraw/zinc/07/65/14/339076514.db2.gz HQXZOYRWQIVPJO-CQSZACIVSA-N -1 3 323.483 3.783 20 0 DHADHM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1ccc(Cl)s1 ZINC000462482856 339079613 /nfs/dbraw/zinc/07/96/13/339079613.db2.gz BOFNGPYPCGAOEV-MNOVXSKESA-N -1 3 319.879 3.649 20 0 DHADHM CC(C)C[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000462773335 339087885 /nfs/dbraw/zinc/08/78/85/339087885.db2.gz CRVMMUNMRLNHIA-VIFPVBQESA-N -1 3 300.196 3.775 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCCC12CCCC2 ZINC000463536558 339120709 /nfs/dbraw/zinc/12/07/09/339120709.db2.gz PGLXDCAHQVQXSP-INIZCTEOSA-N -1 3 320.408 3.834 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@@H]3CC)nc2)n1 ZINC000465053249 339166862 /nfs/dbraw/zinc/16/68/62/339166862.db2.gz JZTPNQSMTTZASI-SWLSCSKDSA-N -1 3 312.417 3.797 20 0 DHADHM CC(C)CCOc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000465351425 339174692 /nfs/dbraw/zinc/17/46/92/339174692.db2.gz SLFAZABMCSAHGY-UHFFFAOYSA-N -1 3 324.384 3.635 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)ccc1[O-] ZINC000467758042 339245911 /nfs/dbraw/zinc/24/59/11/339245911.db2.gz JOGWVPADHRTQAM-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](c3ccccc3)CC2)n1 ZINC000468272926 339258498 /nfs/dbraw/zinc/25/84/98/339258498.db2.gz QJXGLMBXDMYMMQ-INIZCTEOSA-N -1 3 311.429 3.514 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000468540434 339265767 /nfs/dbraw/zinc/26/57/67/339265767.db2.gz BZMCXXRKTRCPGD-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM COc1ccc(F)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469272259 339284743 /nfs/dbraw/zinc/28/47/43/339284743.db2.gz SUPYCRVOVUONNI-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM CC[C@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469372743 339287156 /nfs/dbraw/zinc/28/71/56/339287156.db2.gz FJEGYANMFXHKHD-DZGCQCFKSA-N -1 3 307.409 3.939 20 0 DHADHM CCC[C@@H]1SCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469393436 339287701 /nfs/dbraw/zinc/28/77/01/339287701.db2.gz NINAUJBWNINGEN-INIZCTEOSA-N -1 3 311.422 3.556 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000469421145 339288466 /nfs/dbraw/zinc/28/84/66/339288466.db2.gz YVEJUSQWIKAYMI-ARFHVFGLSA-N -1 3 319.420 3.939 20 0 DHADHM CCCc1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469824970 339302040 /nfs/dbraw/zinc/30/20/40/339302040.db2.gz NKLUAYJHKBZIBF-UHFFFAOYSA-N -1 3 322.405 3.902 20 0 DHADHM CCCc1ccc([C@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471630254 339350038 /nfs/dbraw/zinc/35/00/38/339350038.db2.gz VBGHBFBVBZZOKN-OAHLLOKOSA-N -1 3 318.442 3.928 20 0 DHADHM CCc1ccc([C@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471636199 339350075 /nfs/dbraw/zinc/35/00/75/339350075.db2.gz UKTBVEGRSGTNJX-CQSZACIVSA-N -1 3 304.415 3.538 20 0 DHADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000471792401 339354286 /nfs/dbraw/zinc/35/42/86/339354286.db2.gz KNHYIBCZXZPWHD-VIFPVBQESA-N -1 3 322.817 3.868 20 0 DHADHM CS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000472146708 339364408 /nfs/dbraw/zinc/36/44/08/339364408.db2.gz AUVIDIPBRCLNOY-LSDHHAIUSA-N -1 3 315.438 3.949 20 0 DHADHM CC(C)(CF)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000472954001 339379445 /nfs/dbraw/zinc/37/94/45/339379445.db2.gz SETQTOBEVXFJDS-UHFFFAOYSA-N -1 3 321.826 3.581 20 0 DHADHM [O-]c1cc(F)cc(CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000473134196 339381752 /nfs/dbraw/zinc/38/17/52/339381752.db2.gz WIBBJSZZLBYKGA-UHFFFAOYSA-N -1 3 301.336 3.960 20 0 DHADHM COc1ccc(C2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000473142641 339382476 /nfs/dbraw/zinc/38/24/76/339382476.db2.gz SGAHNBFXNUDCIZ-UHFFFAOYSA-N -1 3 315.388 3.920 20 0 DHADHM COc1ccc(F)c2[nH]c(C(=O)Nc3ccc(C)cc3[O-])cc21 ZINC000474195521 339405823 /nfs/dbraw/zinc/40/58/23/339405823.db2.gz QVFYONRMWNFFKJ-UHFFFAOYSA-N -1 3 314.316 3.582 20 0 DHADHM O=c1ccnc(C(=Cc2cccc(F)c2)Cc2ccccc2)[n-]1 ZINC000477405734 339494072 /nfs/dbraw/zinc/49/40/72/339494072.db2.gz MGQJMZIKPHPNQI-VBKFSLOCSA-N -1 3 306.340 3.692 20 0 DHADHM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)cc1C ZINC000478682250 339520472 /nfs/dbraw/zinc/52/04/72/339520472.db2.gz TYBGUXMLRYQKBG-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000483809725 339674961 /nfs/dbraw/zinc/67/49/61/339674961.db2.gz XFUZRNKRYMJMGT-FZMZJTMJSA-N -1 3 308.397 3.545 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1F ZINC000485120264 339698783 /nfs/dbraw/zinc/69/87/83/339698783.db2.gz JYBRFNIEAJKBGF-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=c1cc(C=Cc2ccccc2Cl)nc(-c2ccncc2)[n-]1 ZINC000485999340 339718238 /nfs/dbraw/zinc/71/82/38/339718238.db2.gz CCWMWPOTXUMZIL-AATRIKPKSA-N -1 3 309.756 3.656 20 0 DHADHM CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000486078244 339720451 /nfs/dbraw/zinc/72/04/51/339720451.db2.gz PRRDBULBCQMXQR-XVNBXDOJSA-N -1 3 300.333 3.768 20 0 DHADHM CCc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)ccc1[O-] ZINC000486479027 339728081 /nfs/dbraw/zinc/72/80/81/339728081.db2.gz MMNLTTVHFCDTCG-LLVKDONJSA-N -1 3 315.344 3.521 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCc1ccc2ccccc2n1 ZINC000486958779 339739966 /nfs/dbraw/zinc/73/99/66/339739966.db2.gz VCNREHSGDIECGK-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM CCCc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccn1 ZINC000487198854 339746018 /nfs/dbraw/zinc/74/60/18/339746018.db2.gz KFANTUUJBFZHIJ-ZDUSSCGKSA-N -1 3 310.397 3.894 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC000487255989 339747594 /nfs/dbraw/zinc/74/75/94/339747594.db2.gz BKNKQQPQQDRWHP-MRXNPFEDSA-N -1 3 311.381 3.801 20 0 DHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[N-]c1cnns1 ZINC000494697604 339958017 /nfs/dbraw/zinc/95/80/17/339958017.db2.gz DTFUQFJFNDBNHT-UHFFFAOYSA-N -1 3 320.418 3.806 20 0 DHADHM Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)ccc1[O-] ZINC000499954356 340047618 /nfs/dbraw/zinc/04/76/18/340047618.db2.gz KGTVOWDXRRNPJH-SFHVURJKSA-N -1 3 309.409 3.938 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000500100302 340050303 /nfs/dbraw/zinc/05/03/03/340050303.db2.gz RXCMWDMTOYRVLQ-NRUUGDAUSA-N -1 3 319.829 3.582 20 0 DHADHM Cc1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1[O-] ZINC000500124695 340050625 /nfs/dbraw/zinc/05/06/25/340050625.db2.gz RZBZISZEWIEMDB-AAEUAGOBSA-N -1 3 315.335 3.799 20 0 DHADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3cc(C)no3)sc2C1 ZINC000500363407 340055777 /nfs/dbraw/zinc/05/57/77/340055777.db2.gz RFQFJSJKZHFZBU-SNVBAGLBSA-N -1 3 305.403 3.597 20 0 DHADHM C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]Cc1ncccc1[O-] ZINC000500405026 340057124 /nfs/dbraw/zinc/05/71/24/340057124.db2.gz QVPKWALOHOJADY-FMIVXFBMSA-N -1 3 322.330 3.999 20 0 DHADHM C/C(=C\c1ccccc1C(F)(F)F)CNCc1ncccc1[O-] ZINC000500405026 340057125 /nfs/dbraw/zinc/05/71/25/340057125.db2.gz QVPKWALOHOJADY-FMIVXFBMSA-N -1 3 322.330 3.999 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000500415429 340057433 /nfs/dbraw/zinc/05/74/33/340057433.db2.gz PTAOUUTVOUPVDZ-UHFFFAOYSA-N -1 3 307.296 3.808 20 0 DHADHM Cc1cc(C(=O)N(CCc2ccc(F)cc2)C2CC2)ccc1[O-] ZINC000500592937 340063351 /nfs/dbraw/zinc/06/33/51/340063351.db2.gz PLQYGOPSHDDLHD-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)ccc1[O-] ZINC000500624511 340064110 /nfs/dbraw/zinc/06/41/10/340064110.db2.gz MFZPJCIETSSBRZ-OAHLLOKOSA-N -1 3 313.372 3.545 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)c([O-])c1 ZINC000501998451 340092382 /nfs/dbraw/zinc/09/23/82/340092382.db2.gz YPIUOCOVZDZPBB-UHFFFAOYSA-N -1 3 323.396 3.747 20 0 DHADHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000504672897 340150789 /nfs/dbraw/zinc/15/07/89/340150789.db2.gz GSUKDOANQIBXCC-LLVKDONJSA-N -1 3 309.715 3.752 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(Cl)ccn2)c([O-])c1 ZINC000506244339 340189394 /nfs/dbraw/zinc/18/93/94/340189394.db2.gz XBOKDLITJLOUKS-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM [O-]c1ccc(F)c(CN2CCSC[C@@H]2c2ccccc2)c1F ZINC000507133202 340209024 /nfs/dbraw/zinc/20/90/24/340209024.db2.gz TVNVYOOAGUVUJD-OAHLLOKOSA-N -1 3 321.392 3.961 20 0 DHADHM CCOc1ccccc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000507187291 340212039 /nfs/dbraw/zinc/21/20/39/340212039.db2.gz JWYOQXMFOKZSGX-UHFFFAOYSA-N -1 3 307.340 3.701 20 0 DHADHM CN(C)c1cccc(CN(C)Cc2cccc([O-])c2Cl)c1 ZINC000508964848 340256454 /nfs/dbraw/zinc/25/64/54/340256454.db2.gz DZMOJCFHLLQCNX-UHFFFAOYSA-N -1 3 304.821 3.744 20 0 DHADHM C[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000509085915 340260859 /nfs/dbraw/zinc/26/08/59/340260859.db2.gz ZTMBAMFNPPCMQH-LLVKDONJSA-N -1 3 321.779 3.647 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1C[C@H]1C1CCCCC1 ZINC000509123512 340261857 /nfs/dbraw/zinc/26/18/57/340261857.db2.gz MNUUSWWDHOLMHL-HOCLYGCPSA-N -1 3 307.821 3.673 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1[O-] ZINC000302657767 340278342 /nfs/dbraw/zinc/27/83/42/340278342.db2.gz SJDCKFPOZMCNMG-LLVKDONJSA-N -1 3 311.337 3.638 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)c1cccc(OC)c1[O-] ZINC000302935512 340287803 /nfs/dbraw/zinc/28/78/03/340287803.db2.gz GCAOVHGQTHEMME-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1cccc2c(CCNCc3c(F)ccc([O-])c3F)c[nH]c21 ZINC000511233546 340324203 /nfs/dbraw/zinc/32/42/03/340324203.db2.gz JRTBEBNZQUADQY-UHFFFAOYSA-N -1 3 316.351 3.792 20 0 DHADHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511928397 340342984 /nfs/dbraw/zinc/34/29/84/340342984.db2.gz WHHFCJGRABGCMV-VHSXEESVSA-N -1 3 307.868 3.506 20 0 DHADHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511928394 340343005 /nfs/dbraw/zinc/34/30/05/340343005.db2.gz WHHFCJGRABGCMV-UWVGGRQHSA-N -1 3 307.868 3.506 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC000172891478 340346328 /nfs/dbraw/zinc/34/63/28/340346328.db2.gz WIYUJYXUKCXZGN-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM CCC(CC)[C@@H]1C[C@@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000512230451 340353302 /nfs/dbraw/zinc/35/33/02/340353302.db2.gz UELOWQFALZKFMG-LRDDRELGSA-N -1 3 313.388 3.744 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000512572029 340367488 /nfs/dbraw/zinc/36/74/88/340367488.db2.gz HNVXBQPIZSLGRY-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM Cc1cncc(CCC(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000512904255 340383488 /nfs/dbraw/zinc/38/34/88/340383488.db2.gz PRLZCMWWVNQFLE-UHFFFAOYSA-N -1 3 312.413 3.964 20 0 DHADHM COC[C@@H](Cc1ccccc1)N(C)Cc1cccc([O-])c1Cl ZINC000513145050 340395017 /nfs/dbraw/zinc/39/50/17/340395017.db2.gz PMXUJEMBTVHDER-MRXNPFEDSA-N -1 3 319.832 3.735 20 0 DHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc([O-])cc1F ZINC000183253923 340487212 /nfs/dbraw/zinc/48/72/12/340487212.db2.gz WSYUUCMWWMGLAC-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(Cl)c1 ZINC000191826894 340559235 /nfs/dbraw/zinc/55/92/35/340559235.db2.gz WZAQEQBOEALGFL-UHFFFAOYSA-N -1 3 313.713 3.524 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000522151064 340578814 /nfs/dbraw/zinc/57/88/14/340578814.db2.gz COVSJNZTCSMMGF-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523510183 340627170 /nfs/dbraw/zinc/62/71/70/340627170.db2.gz VGUSKASXIWGDSE-XPKDYRNWSA-N -1 3 322.424 3.791 20 0 DHADHM CSCCCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000235090643 340657011 /nfs/dbraw/zinc/65/70/11/340657011.db2.gz SAAHXDHSXDCMMD-UHFFFAOYSA-N -1 3 301.839 3.699 20 0 DHADHM O=C(NCCc1ccc(Cl)s1)c1cc([O-])ccc1Cl ZINC000236613233 340663070 /nfs/dbraw/zinc/66/30/70/340663070.db2.gz QMCGACSGJOGBIV-UHFFFAOYSA-N -1 3 316.209 3.733 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000525241096 340696651 /nfs/dbraw/zinc/69/66/51/340696651.db2.gz GMTDAJSGPJKRPU-KDOFPFPSSA-N -1 3 313.784 3.888 20 0 DHADHM CC[C@H](C)CN(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000528776238 340733845 /nfs/dbraw/zinc/73/38/45/340733845.db2.gz TYCJFNLEOSAGTL-JTQLQIEISA-N -1 3 314.223 3.663 20 0 DHADHM CCC(CC)(CN=c1nc(C)[n-]s1)N[C@H](C)c1ccccc1 ZINC000538931733 340862817 /nfs/dbraw/zinc/86/28/17/340862817.db2.gz MBHFATBUFLFFBT-CYBMUJFWSA-N -1 3 318.490 3.590 20 0 DHADHM Cc1ccc(C)c(SCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128332157 340874912 /nfs/dbraw/zinc/87/49/12/340874912.db2.gz PFICUOOLKVGFQV-UHFFFAOYSA-N -1 3 305.374 3.879 20 0 DHADHM O=C(/C=C/c1ccnc2ccccc12)Nc1cccc([O-])c1F ZINC000128422591 340884153 /nfs/dbraw/zinc/88/41/53/340884153.db2.gz VHBMLWGLYGDYDC-CMDGGOBGSA-N -1 3 308.312 3.731 20 0 DHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc([O-])c1F ZINC000128429070 340885182 /nfs/dbraw/zinc/88/51/82/340885182.db2.gz ADWYNRPNPGAJOI-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM O=C(CCOc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000128783067 340913759 /nfs/dbraw/zinc/91/37/59/340913759.db2.gz VAIHUXMOVMBHJF-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)o1 ZINC000540204491 340923394 /nfs/dbraw/zinc/92/33/94/340923394.db2.gz FYANVUCJHVHVQI-OAHLLOKOSA-N -1 3 307.415 3.654 20 0 DHADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([O-])c1F ZINC000128892912 340926192 /nfs/dbraw/zinc/92/61/92/340926192.db2.gz MTNGWUWAQVBEFP-HNNXBMFYSA-N -1 3 303.333 3.636 20 0 DHADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nn1C1CCCCC1 ZINC000540696486 340941848 /nfs/dbraw/zinc/94/18/48/340941848.db2.gz OWGHBVSYZUZCJJ-UHFFFAOYSA-N -1 3 317.364 3.794 20 0 DHADHM Cc1cc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)ccc1Cl ZINC000129309528 340953392 /nfs/dbraw/zinc/95/33/92/340953392.db2.gz NFZZYYIRJQMAHO-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ncccc1[O-] ZINC000541237149 340963427 /nfs/dbraw/zinc/96/34/27/340963427.db2.gz DYDUQUUDRICMJY-CYBMUJFWSA-N -1 3 313.401 3.804 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C12CCC(CC1)C2 ZINC000542330909 341005387 /nfs/dbraw/zinc/00/53/87/341005387.db2.gz VLRXUZGIGULPCW-UHFFFAOYSA-N -1 3 310.191 3.674 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000542682431 341017099 /nfs/dbraw/zinc/01/70/99/341017099.db2.gz WIPBRJMSBMUQES-GUYCJALGSA-N -1 3 310.397 3.573 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C)c3ccccc32)c1 ZINC000542682968 341017115 /nfs/dbraw/zinc/01/71/15/341017115.db2.gz XKCQKHVFAMYCQT-ZDUSSCGKSA-N -1 3 311.381 3.945 20 0 DHADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000542802485 341021247 /nfs/dbraw/zinc/02/12/47/341021247.db2.gz ILQFTYMVXQTOCY-IUCAKERBSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1ncc(CN[C@H](c2ccccc2F)C2CCCC2)c(=O)[n-]1 ZINC000543429065 341044210 /nfs/dbraw/zinc/04/42/10/341044210.db2.gz OOHYBMNLEXIYBV-KRWDZBQOSA-N -1 3 315.392 3.651 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(C)ccc1[O-] ZINC000130924858 341054196 /nfs/dbraw/zinc/05/41/96/341054196.db2.gz BETLMRAGHXKCOY-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM COc1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1Cl ZINC000543954732 341064052 /nfs/dbraw/zinc/06/40/52/341064052.db2.gz MEJVHGCJJFPFCA-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM CC[C@@H](C(=O)Nc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000544025208 341067023 /nfs/dbraw/zinc/06/70/23/341067023.db2.gz ADLJWWHRELMCQK-GFCCVEGCSA-N -1 3 324.302 3.938 20 0 DHADHM Cc1cc(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)no1 ZINC000073157557 341113618 /nfs/dbraw/zinc/11/36/18/341113618.db2.gz JNZUIYGXJMEXKI-UHFFFAOYSA-N -1 3 323.377 3.539 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2cc(F)c(F)cc2F)cc1F ZINC000132056788 341115647 /nfs/dbraw/zinc/11/56/47/341115647.db2.gz OOKZHVMQHCCPPX-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3ccncc3F)s2)o1 ZINC000132356655 341121207 /nfs/dbraw/zinc/12/12/07/341121207.db2.gz YWBBGSCNYPSWPJ-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM Cc1ccnc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000545580072 341131412 /nfs/dbraw/zinc/13/14/12/341131412.db2.gz LAHHQZYASYXLMK-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM C[C@H]1C[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCO1 ZINC000545797905 341141466 /nfs/dbraw/zinc/14/14/66/341141466.db2.gz IRLYGFCSDVAOCX-FZMZJTMJSA-N -1 3 314.385 3.604 20 0 DHADHM O=C(Cc1cccc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000132789584 341145669 /nfs/dbraw/zinc/14/56/69/341145669.db2.gz SZJHWORIASMZSK-UHFFFAOYSA-N -1 3 309.340 3.543 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ccccc2)c1 ZINC000545993489 341150086 /nfs/dbraw/zinc/15/00/86/341150086.db2.gz LMRFXPSNUQHRNE-KRWDZBQOSA-N -1 3 311.381 3.768 20 0 DHADHM CCc1ncc(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000546038633 341152486 /nfs/dbraw/zinc/15/24/86/341152486.db2.gz BRRYGNFYYUGZBC-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC000133076238 341153744 /nfs/dbraw/zinc/15/37/44/341153744.db2.gz AMYGLIRUTUEMRU-UHFFFAOYSA-N -1 3 317.370 3.823 20 0 DHADHM CCc1cccc(-c2nc(Cc3ccc(C)c(OC)c3)no2)c1[O-] ZINC000546297803 341162190 /nfs/dbraw/zinc/16/21/90/341162190.db2.gz DPVJKQYDMZHKHC-UHFFFAOYSA-N -1 3 324.380 3.912 20 0 DHADHM C[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1F)c1ccccc1 ZINC000133399198 341174661 /nfs/dbraw/zinc/17/46/61/341174661.db2.gz WNUGCNAKTNXALV-NSHDSACASA-N -1 3 311.353 3.510 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@@]2(C)CO)c([O-])c(C(C)C)c1 ZINC000546822072 341183042 /nfs/dbraw/zinc/18/30/42/341183042.db2.gz RRFNAXYURPIGEU-IBGZPJMESA-N -1 3 319.445 3.626 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@]2(C)CO)c([O-])c(C(C)C)c1 ZINC000546822075 341183115 /nfs/dbraw/zinc/18/31/15/341183115.db2.gz RRFNAXYURPIGEU-LJQANCHMSA-N -1 3 319.445 3.626 20 0 DHADHM CSc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)o1 ZINC000134214743 341209638 /nfs/dbraw/zinc/20/96/38/341209638.db2.gz MGIXIGNXUDFMIY-UHFFFAOYSA-N -1 3 317.288 3.978 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000078568877 341244213 /nfs/dbraw/zinc/24/42/13/341244213.db2.gz WOQPNLOYALRELH-CQSZACIVSA-N -1 3 317.410 3.612 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](c1ccccc1)C1CC1 ZINC000136134319 341253508 /nfs/dbraw/zinc/25/35/08/341253508.db2.gz NCGDEQRHPKKMGF-SFHVURJKSA-N -1 3 315.800 3.856 20 0 DHADHM CCOc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000136193530 341254670 /nfs/dbraw/zinc/25/46/70/341254670.db2.gz CCBITKZWQWSPQV-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136274629 341256081 /nfs/dbraw/zinc/25/60/81/341256081.db2.gz LWRHKPLBFKAOIP-ZMZPIMSZSA-N -1 3 315.800 3.638 20 0 DHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136274593 341256126 /nfs/dbraw/zinc/25/61/26/341256126.db2.gz LWRHKPLBFKAOIP-BBATYDOGSA-N -1 3 315.800 3.638 20 0 DHADHM COc1ccc(CCCCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000548465939 341262002 /nfs/dbraw/zinc/26/20/02/341262002.db2.gz LCFATRGPQKFLIO-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@H](C)C1CCCCC1 ZINC000549340815 341291564 /nfs/dbraw/zinc/29/15/64/341291564.db2.gz KLUOPZJBYJRFLU-JTQLQIEISA-N -1 3 324.446 3.586 20 0 DHADHM O=C(Cc1cccnc1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459924 341291753 /nfs/dbraw/zinc/29/17/53/341291753.db2.gz NIYUPWZQEXKVJO-UHFFFAOYSA-N -1 3 318.376 3.559 20 0 DHADHM CCCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000552069657 341367285 /nfs/dbraw/zinc/36/72/85/341367285.db2.gz BKGPEINMOHUTPO-UHFFFAOYSA-N -1 3 313.353 3.636 20 0 DHADHM COc1cc(C(=O)NC(C)(C)c2ccc(Cl)cc2)ccc1[O-] ZINC000552369547 341389452 /nfs/dbraw/zinc/38/94/52/341389452.db2.gz QWXHNDBDJYDYJM-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000552425280 341393118 /nfs/dbraw/zinc/39/31/18/341393118.db2.gz MNYYNIBAJAAKLA-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM O=C([O-])C1(NCc2ccsc2Cl)CCC(F)(F)CC1 ZINC000565238045 341521070 /nfs/dbraw/zinc/52/10/70/341521070.db2.gz NGRLMJACVDMKGD-UHFFFAOYSA-N -1 3 309.765 3.524 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1[O-] ZINC000565496899 341529164 /nfs/dbraw/zinc/52/91/64/341529164.db2.gz INUDVVCDLKRVAL-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM C[C@H]1CCCC[C@H]1c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000565885280 341541448 /nfs/dbraw/zinc/54/14/48/341541448.db2.gz VBBIYDSCXFPJBW-WCQYABFASA-N -1 3 309.373 3.815 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1coc(-c2ccccc2)n1 ZINC000566885172 341570814 /nfs/dbraw/zinc/57/08/14/341570814.db2.gz ZRDUBCAHFSIZPM-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM Cc1nn(C)c2sc(C(=O)Nc3ccc(Cl)cc3[O-])cc12 ZINC000153532659 341574290 /nfs/dbraw/zinc/57/42/90/341574290.db2.gz FDPHSLUQQJBGLJ-UHFFFAOYSA-N -1 3 321.789 3.555 20 0 DHADHM COc1cc(-c2nc3cc(Cl)cnc3[nH]2)cc(Cl)c1[O-] ZINC000154679389 341593787 /nfs/dbraw/zinc/59/37/87/341593787.db2.gz JAZZNLVFWQDCDN-UHFFFAOYSA-N -1 3 310.140 3.646 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1[O-] ZINC000569051839 341689450 /nfs/dbraw/zinc/68/94/50/341689450.db2.gz CRBYELKXMNWOBQ-UHFFFAOYSA-N -1 3 322.364 3.566 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C3CC3)C3CCC3)nc2)n1 ZINC000573304463 341724385 /nfs/dbraw/zinc/72/43/85/341724385.db2.gz FBHNXVPDWGMVPC-SFHVURJKSA-N -1 3 324.428 3.797 20 0 DHADHM CC(NCc1ncccc1[O-])(c1ccccc1)c1ccccc1 ZINC000573763728 341738557 /nfs/dbraw/zinc/73/85/57/341738557.db2.gz PRRURRIODXHPGY-UHFFFAOYSA-N -1 3 304.393 3.841 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1ccc(Oc2ccccc2)cn1 ZINC000574714030 341766714 /nfs/dbraw/zinc/76/67/14/341766714.db2.gz SXXBJIVEQQPCIJ-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174881856 341832741 /nfs/dbraw/zinc/83/27/41/341832741.db2.gz TUUVSYMQCJRSNI-JTQLQIEISA-N -1 3 321.373 3.659 20 0 DHADHM COc1ccc([O-])c(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000175397833 341838047 /nfs/dbraw/zinc/83/80/47/341838047.db2.gz JUBJLLOOBIEMRF-UHFFFAOYSA-N -1 3 311.381 3.848 20 0 DHADHM CSCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175818395 341846909 /nfs/dbraw/zinc/84/69/09/341846909.db2.gz SPCBRUUQFAOMFZ-UHFFFAOYSA-N -1 3 307.337 3.883 20 0 DHADHM CCCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000175817378 341846885 /nfs/dbraw/zinc/84/68/85/341846885.db2.gz SZBNKZAVIDNXJG-VIFPVBQESA-N -1 3 305.296 3.555 20 0 DHADHM Cc1nc2ccccc2c(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000576564835 341852517 /nfs/dbraw/zinc/85/25/17/341852517.db2.gz NIJMOXRCYBGTRF-UHFFFAOYSA-N -1 3 324.409 3.604 20 0 DHADHM Cc1ccccc1C(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000577718053 341931166 /nfs/dbraw/zinc/93/11/66/341931166.db2.gz KTZMRIYQXAZXNP-UHFFFAOYSA-N -1 3 319.368 3.642 20 0 DHADHM CSc1c(F)cc([N-]S(=O)(=O)CCC(C)(C)C)cc1F ZINC000577993174 341964626 /nfs/dbraw/zinc/96/46/26/341964626.db2.gz RIKIYLICRABWEZ-UHFFFAOYSA-N -1 3 323.430 3.865 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1sccc1-n1cccc1 ZINC000129051681 518201085 /nfs/dbraw/zinc/20/10/85/518201085.db2.gz XMAZCPFMKFMGDX-UHFFFAOYSA-N -1 3 302.330 3.636 20 0 DHADHM CC(C)(CCC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000338200158 519203633 /nfs/dbraw/zinc/20/36/33/519203633.db2.gz QJZLZKOGIFLVHW-UHFFFAOYSA-N -1 3 324.384 3.761 20 0 DHADHM CC(C)(CCC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000338200158 519203640 /nfs/dbraw/zinc/20/36/40/519203640.db2.gz QJZLZKOGIFLVHW-UHFFFAOYSA-N -1 3 324.384 3.761 20 0 DHADHM CC(C)(CCC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000338200158 519203647 /nfs/dbraw/zinc/20/36/47/519203647.db2.gz QJZLZKOGIFLVHW-UHFFFAOYSA-N -1 3 324.384 3.761 20 0 DHADHM CC(C)c1nc(C(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000182909638 519858891 /nfs/dbraw/zinc/85/88/91/519858891.db2.gz HGAOZAKCYOLEGO-UHFFFAOYSA-N -1 3 302.399 3.565 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2c(F)cccc2OC)s1 ZINC000266196920 521637159 /nfs/dbraw/zinc/63/71/59/521637159.db2.gz NWVZAWBFKODQFO-UHFFFAOYSA-N -1 3 323.393 3.842 20 0 DHADHM CC[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000103520076 522112386 /nfs/dbraw/zinc/11/23/86/522112386.db2.gz MQMKLFGTIODMHE-GFCCVEGCSA-N -1 3 310.357 3.587 20 0 DHADHM CC[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000103520076 522112394 /nfs/dbraw/zinc/11/23/94/522112394.db2.gz MQMKLFGTIODMHE-GFCCVEGCSA-N -1 3 310.357 3.587 20 0 DHADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000103520076 522112401 /nfs/dbraw/zinc/11/24/01/522112401.db2.gz MQMKLFGTIODMHE-GFCCVEGCSA-N -1 3 310.357 3.587 20 0 DHADHM CCc1oc(C(=O)[N-]c2ccsc2Cl)cc1C(=O)OC ZINC000338453274 523000849 /nfs/dbraw/zinc/00/08/49/523000849.db2.gz HILGJNTXPNGDRP-UHFFFAOYSA-N -1 3 313.762 3.596 20 0 DHADHM COc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1OC ZINC000339561185 523224690 /nfs/dbraw/zinc/22/46/90/523224690.db2.gz BDZZQEUKGYKILV-UHFFFAOYSA-N -1 3 316.744 3.673 20 0 DHADHM CCc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c([O-])c1 ZINC000189809439 523883095 /nfs/dbraw/zinc/88/30/95/523883095.db2.gz UVKHUQCNMWZQGC-UHFFFAOYSA-N -1 3 319.445 3.622 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)c(F)cc1F ZINC000267117409 524186679 /nfs/dbraw/zinc/18/66/79/524186679.db2.gz CWTWWMDORWKLIO-UHFFFAOYSA-N -1 3 311.357 3.675 20 0 DHADHM CC(=O)c1ccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000274352577 534841761 /nfs/dbraw/zinc/84/17/61/534841761.db2.gz IFIKUAPQZXSPJZ-ZDUSSCGKSA-N -1 3 323.392 3.678 20 0 DHADHM CC(=O)c1ccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000274352576 534842529 /nfs/dbraw/zinc/84/25/29/534842529.db2.gz IFIKUAPQZXSPJZ-CYBMUJFWSA-N -1 3 323.392 3.678 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)C(C)C)c2)n1 ZINC000364133551 525339068 /nfs/dbraw/zinc/33/90/68/525339068.db2.gz AZLNONHMJXZDER-UHFFFAOYSA-N -1 3 313.401 3.778 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc2n[nH]cc2c1 ZINC000339397569 525458735 /nfs/dbraw/zinc/45/87/35/525458735.db2.gz LHQYWWYFMFJSNQ-JTQLQIEISA-N -1 3 301.777 3.773 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000158865142 525591729 /nfs/dbraw/zinc/59/17/29/525591729.db2.gz OWTFFRFIWHJMAC-UHFFFAOYSA-N -1 3 322.405 3.755 20 0 DHADHM Cc1ccsc1C[N-]c1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000181955278 525864329 /nfs/dbraw/zinc/86/43/29/525864329.db2.gz XFHKOJDRWMGFRU-ZDUSSCGKSA-N -1 3 313.382 3.728 20 0 DHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227824828 526039111 /nfs/dbraw/zinc/03/91/11/526039111.db2.gz ILOBMJPSTDECFL-XPTSAGLGSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1ccsc1 ZINC000364267377 526397921 /nfs/dbraw/zinc/39/79/21/526397921.db2.gz YZHCJSZSKXETLY-OAHLLOKOSA-N -1 3 317.410 3.662 20 0 DHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC2(CCCCC2)CC1 ZINC000102379648 526581863 /nfs/dbraw/zinc/58/18/63/526581863.db2.gz LTDUYQMXUMYRLJ-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000156236309 526685511 /nfs/dbraw/zinc/68/55/11/526685511.db2.gz KSXTXEVPRUALJU-MNOVXSKESA-N -1 3 319.298 3.516 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000162844130 526844785 /nfs/dbraw/zinc/84/47/85/526844785.db2.gz YBHDCMHTYSBOFH-LSDHHAIUSA-N -1 3 323.314 3.944 20 0 DHADHM Cc1nc(Cl)ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186296421 526936891 /nfs/dbraw/zinc/93/68/91/526936891.db2.gz BDXFMODZFPWBMO-SNVBAGLBSA-N -1 3 316.788 3.903 20 0 DHADHM O=C(N[C@@H]1COc2cccc(Cl)c21)c1cc([O-])ccc1Cl ZINC000365670076 526961755 /nfs/dbraw/zinc/96/17/55/526961755.db2.gz VNKZNCCZMDFAOB-GFCCVEGCSA-N -1 3 324.163 3.563 20 0 DHADHM Cc1nc2ccc(NC([O-])=NOCCC(F)(F)F)cc2s1 ZINC000156160537 527144013 /nfs/dbraw/zinc/14/40/13/527144013.db2.gz GMOZFFBNSZKACS-UHFFFAOYSA-N -1 3 319.308 3.610 20 0 DHADHM Cc1nc2ccc(NC(=O)[N-]OCCC(F)(F)F)cc2s1 ZINC000156160537 527144017 /nfs/dbraw/zinc/14/40/17/527144017.db2.gz GMOZFFBNSZKACS-UHFFFAOYSA-N -1 3 319.308 3.610 20 0 DHADHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)n[n-]1 ZINC000339230975 527331552 /nfs/dbraw/zinc/33/15/52/527331552.db2.gz MMZYXVFAEXXNLE-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)[n-]n1 ZINC000339230975 527331556 /nfs/dbraw/zinc/33/15/56/527331556.db2.gz MMZYXVFAEXXNLE-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339302870 527503851 /nfs/dbraw/zinc/50/38/51/527503851.db2.gz RACIWGXDKPFYTL-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339302870 527503855 /nfs/dbraw/zinc/50/38/55/527503855.db2.gz RACIWGXDKPFYTL-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339302870 527503861 /nfs/dbraw/zinc/50/38/61/527503861.db2.gz RACIWGXDKPFYTL-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)on1 ZINC000274338251 535356037 /nfs/dbraw/zinc/35/60/37/535356037.db2.gz COXKDKOXUGUBGL-NSHDSACASA-N -1 3 300.358 3.658 20 0 DHADHM Cc1c(NCc2cc3ccccc3o2)cccc1-c1nnn[n-]1 ZINC000822121913 607255932 /nfs/dbraw/zinc/25/59/32/607255932.db2.gz ICOYZYLZSYKFEG-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1c(NCc2cc3ccccc3o2)cccc1-c1nn[n-]n1 ZINC000822121913 607255933 /nfs/dbraw/zinc/25/59/33/607255933.db2.gz ICOYZYLZSYKFEG-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000736192866 599168738 /nfs/dbraw/zinc/16/87/38/599168738.db2.gz NAEBBTRCDYPDQT-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000736192866 599168739 /nfs/dbraw/zinc/16/87/39/599168739.db2.gz NAEBBTRCDYPDQT-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM CCc1nc2c(s1)[C@H](NCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000818343606 597244753 /nfs/dbraw/zinc/24/47/53/597244753.db2.gz KPPUUZYDBHGJLM-CYBMUJFWSA-N -1 3 316.426 3.571 20 0 DHADHM CCc1ccc(CC)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821480959 607319303 /nfs/dbraw/zinc/31/93/03/607319303.db2.gz GMQRQOBUFNXPQB-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM CCc1ccc(CC)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821480959 607319304 /nfs/dbraw/zinc/31/93/04/607319304.db2.gz GMQRQOBUFNXPQB-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM COc1ccc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737114660 599288270 /nfs/dbraw/zinc/28/82/70/599288270.db2.gz IPJRDUZGOXGEEH-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1ccc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737114660 599288272 /nfs/dbraw/zinc/28/82/72/599288272.db2.gz IPJRDUZGOXGEEH-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736140357 598234277 /nfs/dbraw/zinc/23/42/77/598234277.db2.gz UNNYYPWGSVUUTD-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Fc1cccc(N[C@@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000737659455 598236256 /nfs/dbraw/zinc/23/62/56/598236256.db2.gz DHBBPIMDHLLAGP-INIZCTEOSA-N -1 3 309.348 3.569 20 0 DHADHM Fc1cccc(N[C@@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000737659455 598236257 /nfs/dbraw/zinc/23/62/57/598236257.db2.gz DHBBPIMDHLLAGP-INIZCTEOSA-N -1 3 309.348 3.569 20 0 DHADHM CC[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736335179 598331410 /nfs/dbraw/zinc/33/14/10/598331410.db2.gz YPWRAPSVLLPIHK-CHWSQXEVSA-N -1 3 316.405 3.543 20 0 DHADHM CC[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736335179 598331412 /nfs/dbraw/zinc/33/14/12/598331412.db2.gz YPWRAPSVLLPIHK-CHWSQXEVSA-N -1 3 316.405 3.543 20 0 DHADHM Clc1cccc(CNc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737575346 598493506 /nfs/dbraw/zinc/49/35/06/598493506.db2.gz RZXDKTYXFWFGPY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(CNc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000737575346 598493507 /nfs/dbraw/zinc/49/35/07/598493507.db2.gz RZXDKTYXFWFGPY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821674241 599374090 /nfs/dbraw/zinc/37/40/90/599374090.db2.gz YFOOIPKBQZRBTQ-OLZOCXBDSA-N -1 3 323.400 3.747 20 0 DHADHM CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821674241 599374093 /nfs/dbraw/zinc/37/40/93/599374093.db2.gz YFOOIPKBQZRBTQ-OLZOCXBDSA-N -1 3 323.400 3.747 20 0 DHADHM c1ccc2c(c1)cccc2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738435828 599510431 /nfs/dbraw/zinc/51/04/31/599510431.db2.gz APRRDUUEVUMLNM-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2c(c1)cccc2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738435828 599510433 /nfs/dbraw/zinc/51/04/33/599510433.db2.gz APRRDUUEVUMLNM-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)o1 ZINC000652407449 599717445 /nfs/dbraw/zinc/71/74/45/599717445.db2.gz XTXRKWMXYWNIFJ-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM CC[C@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736940269 599772893 /nfs/dbraw/zinc/77/28/93/599772893.db2.gz RTXWCIHLIOCMBR-HNNXBMFYSA-N -1 3 316.426 3.883 20 0 DHADHM O=C([O-])c1coc(CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000578242423 599848618 /nfs/dbraw/zinc/84/86/18/599848618.db2.gz WTRVAUIKZOXLKY-AWEZNQCLSA-N -1 3 319.788 3.838 20 0 DHADHM O=C([O-])CN(C/C=C/c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739783863 599878937 /nfs/dbraw/zinc/87/89/37/599878937.db2.gz RHKIJYIYTYTYMO-QPJJXVBHSA-N -1 3 317.335 3.565 20 0 DHADHM CCC[C@](C)(NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000036808040 600150662 /nfs/dbraw/zinc/15/06/62/600150662.db2.gz IHANWFYUOLJWEI-INIZCTEOSA-N -1 3 304.415 3.543 20 0 DHADHM O=C([O-])CCN(Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000701239537 600399014 /nfs/dbraw/zinc/39/90/14/600399014.db2.gz QGTYVYUVPGHRTC-UHFFFAOYSA-N -1 3 320.392 3.712 20 0 DHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000827717144 600746338 /nfs/dbraw/zinc/74/63/38/600746338.db2.gz DIFJRZUCHUUXKI-KOLCDFICSA-N -1 3 317.216 3.786 20 0 DHADHM Cc1cc(C)cc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832875975 600747706 /nfs/dbraw/zinc/74/77/06/600747706.db2.gz ZLZVLTJCIQQWFF-SUMWQHHRSA-N -1 3 301.361 3.919 20 0 DHADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000515660334 600831096 /nfs/dbraw/zinc/83/10/96/600831096.db2.gz WNOCHRNVIIPIAJ-NEPJUHHUSA-N -1 3 316.426 3.739 20 0 DHADHM C/C(=C\CN1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC000825734662 601157743 /nfs/dbraw/zinc/15/77/43/601157743.db2.gz KDRVJGZKTRKMNT-OVCLIPMQSA-N -1 3 317.429 3.684 20 0 DHADHM C/C(=C/CNC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC000825747774 601158930 /nfs/dbraw/zinc/15/89/30/601158930.db2.gz YHDFOGBDZLPCHN-WTKPLQERSA-N -1 3 300.185 3.603 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000277457507 601203537 /nfs/dbraw/zinc/20/35/37/601203537.db2.gz VLEYVIAIAMEYIL-HZMBPMFUSA-N -1 3 309.818 3.953 20 0 DHADHM C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000828462238 601429033 /nfs/dbraw/zinc/42/90/33/601429033.db2.gz IMOUDSGRETVYHI-TXEJJXNPSA-N -1 3 316.426 3.596 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000828664643 601431239 /nfs/dbraw/zinc/43/12/39/601431239.db2.gz DMNHFPDSCCNJPX-KRWDZBQOSA-N -1 3 318.442 3.852 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1nc2ccccc2c(C)c1Cl ZINC000828673018 601555194 /nfs/dbraw/zinc/55/51/94/601555194.db2.gz ZFFRQNMJKSKFMN-QGZVFWFLSA-N -1 3 320.820 3.930 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000826053417 601656474 /nfs/dbraw/zinc/65/64/74/601656474.db2.gz IXBPKIKPIUAZAJ-KUHUBIRLSA-N -1 3 320.392 3.786 20 0 DHADHM O=C([O-])c1sccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000833348738 601822578 /nfs/dbraw/zinc/82/25/78/601822578.db2.gz QPWAAWDJLLJFLZ-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM Cc1cccnc1[C@@H](NCc1ccsc1C(=O)[O-])C(C)C ZINC000832983919 601828043 /nfs/dbraw/zinc/82/80/43/601828043.db2.gz QKLGNYCFIMXAPR-ZDUSSCGKSA-N -1 3 304.415 3.637 20 0 DHADHM Cc1ccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832932259 601903853 /nfs/dbraw/zinc/90/38/53/601903853.db2.gz OVHZYLIDXXMRKT-INIZCTEOSA-N -1 3 323.314 3.670 20 0 DHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000825503395 603529852 /nfs/dbraw/zinc/52/98/52/603529852.db2.gz SIYYMHCOAMEQPV-SNVBAGLBSA-N -1 3 305.765 3.676 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000833497267 604643761 /nfs/dbraw/zinc/64/37/61/604643761.db2.gz YZDFJAUSQPYIHC-UHFFFAOYSA-N -1 3 307.287 3.530 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572729286 604758114 /nfs/dbraw/zinc/75/81/14/604758114.db2.gz WQXYOLNXHOTRJY-KGLIPLIRSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@]1(NCc2csc(-c3ccco3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571381 604813635 /nfs/dbraw/zinc/81/36/35/604813635.db2.gz XTHAXILLKBRSRB-LRDDRELGSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@@]1(NCc2coc(-c3cccs3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569852 604817028 /nfs/dbraw/zinc/81/70/28/604817028.db2.gz PQJGDBOTYNZPTE-MLGOLLRUSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@@]1(NCc2cc(-c3cccs3)on2)CCCC[C@@H]1C(=O)[O-] ZINC000833569700 604819246 /nfs/dbraw/zinc/81/92/46/604819246.db2.gz LADRKAAXIRFRFT-MLGOLLRUSA-N -1 3 320.414 3.526 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2c2ccccc2Cl)O1 ZINC000833586102 604826798 /nfs/dbraw/zinc/82/67/98/604826798.db2.gz XBPRDNXKAGFRRU-WBMJQRKESA-N -1 3 321.804 3.624 20 0 DHADHM Cc1ccc(-c2nc(CN3CCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000314967282 604965776 /nfs/dbraw/zinc/96/57/76/604965776.db2.gz NMQYLEVQLBKMCM-HNNXBMFYSA-N -1 3 316.426 3.558 20 0 DHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833548047 605062844 /nfs/dbraw/zinc/06/28/44/605062844.db2.gz KNFKIPIMCFLGFQ-LBPRGKRZSA-N -1 3 319.351 3.785 20 0 DHADHM CC(C)COc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000833490878 605173297 /nfs/dbraw/zinc/17/32/97/605173297.db2.gz ZUEMHYRNLFFMJD-CYBMUJFWSA-N -1 3 317.385 3.863 20 0 DHADHM C[C@H](c1ccco1)N(CCOc1ccccc1C(=O)[O-])C1CC1 ZINC000578995733 605214786 /nfs/dbraw/zinc/21/47/86/605214786.db2.gz RTCXABWNJNDLLC-CYBMUJFWSA-N -1 3 315.369 3.582 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1cc(F)cc(F)c1 ZINC000834264036 605574159 /nfs/dbraw/zinc/57/41/59/605574159.db2.gz XTTUFJAHVQZNFO-MRXNPFEDSA-N -1 3 318.323 3.832 20 0 DHADHM Cc1cccnc1[C@@H](NCc1cccc(NC(=O)[O-])c1)C(C)C ZINC000833909477 605605227 /nfs/dbraw/zinc/60/52/27/605605227.db2.gz BJVZGTGFKQZRLJ-INIZCTEOSA-N -1 3 313.401 3.967 20 0 DHADHM C[C@H](CCN[C@@H](C)c1nc(-c2ccccc2)cs1)NC(=O)[O-] ZINC000833805578 605848316 /nfs/dbraw/zinc/84/83/16/605848316.db2.gz RGCHTQAXJDWUGN-NEPJUHHUSA-N -1 3 319.430 3.507 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc2ccccc21 ZINC000820456338 606025225 /nfs/dbraw/zinc/02/52/25/606025225.db2.gz STBWBAHJASESIS-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc2ccccc21 ZINC000820456338 606025226 /nfs/dbraw/zinc/02/52/26/606025226.db2.gz STBWBAHJASESIS-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM CC(C)(C)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819957512 606212713 /nfs/dbraw/zinc/21/27/13/606212713.db2.gz AOBFKVYUCVSEFO-UHFFFAOYSA-N -1 3 313.430 3.838 20 0 DHADHM CC(C)(C)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819957512 606212714 /nfs/dbraw/zinc/21/27/14/606212714.db2.gz AOBFKVYUCVSEFO-UHFFFAOYSA-N -1 3 313.430 3.838 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821051128 606264187 /nfs/dbraw/zinc/26/41/87/606264187.db2.gz YMGZYSZKSQOHOG-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821051128 606264190 /nfs/dbraw/zinc/26/41/90/606264190.db2.gz YMGZYSZKSQOHOG-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM COc1cccc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858955 606360930 /nfs/dbraw/zinc/36/09/30/606360930.db2.gz JJUSKZLFAXNTSU-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858955 606360931 /nfs/dbraw/zinc/36/09/31/606360931.db2.gz JJUSKZLFAXNTSU-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709861 606386773 /nfs/dbraw/zinc/38/67/73/606386773.db2.gz RWAFVIOSZRPYBX-BQYQJAHWSA-N -1 3 305.366 3.647 20 0 DHADHM CC(C)CCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000820076363 606445681 /nfs/dbraw/zinc/44/56/81/606445681.db2.gz IMMUVKMXHCDPSM-UHFFFAOYSA-N -1 3 324.388 3.512 20 0 DHADHM Fc1ccc(N[C@H](c2ccccc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000822779620 606446272 /nfs/dbraw/zinc/44/62/72/606446272.db2.gz YUHNHRRFLVNGPM-MRXNPFEDSA-N -1 3 309.348 3.569 20 0 DHADHM Fc1ccc(N[C@H](c2ccccc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000822779620 606446274 /nfs/dbraw/zinc/44/62/74/606446274.db2.gz YUHNHRRFLVNGPM-MRXNPFEDSA-N -1 3 309.348 3.569 20 0 DHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC000819709763 606931708 /nfs/dbraw/zinc/93/17/08/606931708.db2.gz OFWBJZMSMRQBKJ-BQYQJAHWSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC000819709763 606931709 /nfs/dbraw/zinc/93/17/09/606931709.db2.gz OFWBJZMSMRQBKJ-BQYQJAHWSA-N -1 3 305.366 3.647 20 0 DHADHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821040513 607241170 /nfs/dbraw/zinc/24/11/70/607241170.db2.gz MKYBCVDLQXXVST-SNVBAGLBSA-N -1 3 321.812 3.675 20 0 DHADHM CCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821040513 607241171 /nfs/dbraw/zinc/24/11/71/607241171.db2.gz MKYBCVDLQXXVST-SNVBAGLBSA-N -1 3 321.812 3.675 20 0 DHADHM C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656492 608218443 /nfs/dbraw/zinc/21/84/43/608218443.db2.gz KVHDGSWINNCBHO-GFCCVEGCSA-N -1 3 305.385 3.917 20 0 DHADHM C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656492 608218446 /nfs/dbraw/zinc/21/84/46/608218446.db2.gz KVHDGSWINNCBHO-GFCCVEGCSA-N -1 3 305.385 3.917 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826299611 609158437 /nfs/dbraw/zinc/15/84/37/609158437.db2.gz MRIQSPXTYWABEG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826299611 609158438 /nfs/dbraw/zinc/15/84/38/609158438.db2.gz MRIQSPXTYWABEG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826299610 609158685 /nfs/dbraw/zinc/15/86/85/609158685.db2.gz MRIQSPXTYWABEG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826299610 609158687 /nfs/dbraw/zinc/15/86/87/609158687.db2.gz MRIQSPXTYWABEG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826291607 609161579 /nfs/dbraw/zinc/16/15/79/609161579.db2.gz NMXFFYFBXHAMSV-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826291607 609161581 /nfs/dbraw/zinc/16/15/81/609161581.db2.gz NMXFFYFBXHAMSV-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cscc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826321085 609248979 /nfs/dbraw/zinc/24/89/79/609248979.db2.gz PQOVBPABPCHYTK-AWEZNQCLSA-N -1 3 311.414 3.726 20 0 DHADHM Cc1cscc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826321085 609248980 /nfs/dbraw/zinc/24/89/80/609248980.db2.gz PQOVBPABPCHYTK-AWEZNQCLSA-N -1 3 311.414 3.726 20 0 DHADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826289831 609255190 /nfs/dbraw/zinc/25/51/90/609255190.db2.gz OSGSZUDBFVDXEZ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826289831 609255191 /nfs/dbraw/zinc/25/51/91/609255191.db2.gz OSGSZUDBFVDXEZ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC000826299787 609255475 /nfs/dbraw/zinc/25/54/75/609255475.db2.gz VEKVGYOTQPONBW-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC000826299787 609255477 /nfs/dbraw/zinc/25/54/77/609255477.db2.gz VEKVGYOTQPONBW-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM CSc1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826231575 609272708 /nfs/dbraw/zinc/27/27/08/609272708.db2.gz QIUUEFNCWJKIHB-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826231575 609272709 /nfs/dbraw/zinc/27/27/09/609272709.db2.gz QIUUEFNCWJKIHB-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM c1ccc([C@@H](CC2CCC2)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826520182 609321750 /nfs/dbraw/zinc/32/17/50/609321750.db2.gz BYLWVKBDGONIIZ-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@@H](CC2CCC2)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826520182 609321752 /nfs/dbraw/zinc/32/17/52/609321752.db2.gz BYLWVKBDGONIIZ-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663221 609346189 /nfs/dbraw/zinc/34/61/89/609346189.db2.gz WRPCRDJUFVRIQR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663221 609346191 /nfs/dbraw/zinc/34/61/91/609346191.db2.gz WRPCRDJUFVRIQR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccnc(N[C@H]2CC[C@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826312688 609579470 /nfs/dbraw/zinc/57/94/70/609579470.db2.gz LOYHJNAYUHZUNN-NHYWBVRUSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccnc(N[C@H]2CC[C@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826312688 609579473 /nfs/dbraw/zinc/57/94/73/609579473.db2.gz LOYHJNAYUHZUNN-NHYWBVRUSA-N -1 3 320.400 3.621 20 0 DHADHM O=C(CCCSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737837186 945134449 /nfs/dbraw/zinc/13/44/49/945134449.db2.gz RIFMUAYOPNFQMR-UHFFFAOYSA-N -1 3 324.409 3.622 20 0 DHADHM O=C(CCCSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737837186 945134455 /nfs/dbraw/zinc/13/44/55/945134455.db2.gz RIFMUAYOPNFQMR-UHFFFAOYSA-N -1 3 324.409 3.622 20 0 DHADHM CC(C)C[C@@H](C)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001574142829 949882074 /nfs/dbraw/zinc/88/20/74/949882074.db2.gz CNXHSPMWUWGJQO-GFCCVEGCSA-N -1 3 317.437 3.891 20 0 DHADHM CC(C)C[C@@H](C)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001574142829 949882097 /nfs/dbraw/zinc/88/20/97/949882097.db2.gz CNXHSPMWUWGJQO-GFCCVEGCSA-N -1 3 317.437 3.891 20 0 DHADHM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001589683847 950055135 /nfs/dbraw/zinc/05/51/35/950055135.db2.gz BIUNRZBHVGSQOK-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)CC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001574184138 950774191 /nfs/dbraw/zinc/77/41/91/950774191.db2.gz FNYMJEBDPYKQPL-ZDUSSCGKSA-N -1 3 302.426 3.525 20 0 DHADHM CC(C)CC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001574184138 950774207 /nfs/dbraw/zinc/77/42/07/950774207.db2.gz FNYMJEBDPYKQPL-ZDUSSCGKSA-N -1 3 302.426 3.525 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1nc2ccc(F)cc2s1 ZINC001595012609 951264516 /nfs/dbraw/zinc/26/45/16/951264516.db2.gz OPDAXNWOSKVXEU-LBPRGKRZSA-N -1 3 322.405 3.655 20 0 DHADHM COc1ccccc1CO[N-]C(=O)CCCC1CCCCC1 ZINC001626360443 1013110158 /nfs/dbraw/zinc/11/01/58/1013110158.db2.gz WBZWCVBPQXTIJB-UHFFFAOYSA-N -1 3 305.418 3.994 20 0 DHADHM C[C@H](CSc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001575185333 952431656 /nfs/dbraw/zinc/43/16/56/952431656.db2.gz PMCMPINMBJQOFX-LLVKDONJSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H](CSc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001575185333 952431660 /nfs/dbraw/zinc/43/16/60/952431660.db2.gz PMCMPINMBJQOFX-LLVKDONJSA-N -1 3 303.435 3.570 20 0 DHADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OC3CCCCC3)c2c1 ZINC000777964465 1032060605 /nfs/dbraw/zinc/06/06/05/1032060605.db2.gz JFKHVCVHTULKHV-UHFFFAOYSA-N -1 3 300.402 3.789 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1=Cc2cc(F)ccc2OC1 ZINC000535633062 1013129369 /nfs/dbraw/zinc/12/93/69/1013129369.db2.gz WRAPPGWQMHYEAD-UHFFFAOYSA-N -1 3 319.719 3.599 20 0 DHADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)nc1 ZINC001589124413 956158495 /nfs/dbraw/zinc/15/84/95/956158495.db2.gz XFRPOUCWOJVKPJ-VQISRLSMSA-N -1 3 316.788 3.699 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC001589131508 956197679 /nfs/dbraw/zinc/19/76/79/956197679.db2.gz QTYNZUPORNXGSP-SNVBAGLBSA-N -1 3 306.312 3.568 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Cl ZINC000179951718 1017333323 /nfs/dbraw/zinc/33/33/23/1017333323.db2.gz YJXCLFVBTYTFIB-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccnc(Cl)c1 ZINC001603242271 972390031 /nfs/dbraw/zinc/39/00/31/972390031.db2.gz BNLULIBDYMLQAP-LKTVYLICSA-N -1 3 316.788 3.699 20 0 DHADHM Cc1c(Cl)cccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594262607 959710071 /nfs/dbraw/zinc/71/00/71/959710071.db2.gz HREFGWRWCABULR-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM CCNc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573887752 961310715 /nfs/dbraw/zinc/31/07/15/961310715.db2.gz GYUKJDSMCOZPNK-AEFFLSMTSA-N -1 3 310.397 3.521 20 0 DHADHM [O-]c1cccnc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000579885982 1013253964 /nfs/dbraw/zinc/25/39/64/1013253964.db2.gz UKYJLIPRAPKYSF-OAHLLOKOSA-N -1 3 320.845 3.731 20 0 DHADHM C[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001332232495 961543010 /nfs/dbraw/zinc/54/30/10/961543010.db2.gz QLJOJLWIUCXQRQ-AAEUAGOBSA-N -1 3 321.726 3.740 20 0 DHADHM CCCC[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000262724014 961828501 /nfs/dbraw/zinc/82/85/01/961828501.db2.gz XPEYSCVVDDWLLA-CQSZACIVSA-N -1 3 322.405 3.682 20 0 DHADHM CC[C@@H](c1ccc(F)cc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315945424 963957490 /nfs/dbraw/zinc/95/74/90/963957490.db2.gz HVPRFTJBODWTMZ-JSGCOSHPSA-N -1 3 319.298 3.616 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(F)cc1O ZINC001210019900 1013477477 /nfs/dbraw/zinc/47/74/77/1013477477.db2.gz WMICNBWYTZOIRK-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(-c2ccco2)on1 ZINC000340327400 1013496489 /nfs/dbraw/zinc/49/64/89/1013496489.db2.gz KLVOORGKIUFMJF-UHFFFAOYSA-N -1 3 304.689 3.546 20 0 DHADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c2ccccc21 ZINC000340331251 1013497773 /nfs/dbraw/zinc/49/77/73/1013497773.db2.gz RXGBZJAKFZMNMH-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1ncccc1Oc1ccccc1 ZINC000441054190 1013660089 /nfs/dbraw/zinc/66/00/89/1013660089.db2.gz ANCPJQXYJFNVRN-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2csc(C(C)(C)C)n2)cc1 ZINC000177579243 1013743180 /nfs/dbraw/zinc/74/31/80/1013743180.db2.gz PDIRKWNONTVPKA-UHFFFAOYSA-N -1 3 318.442 3.540 20 0 DHADHM C[C@H]1CN(Cc2ccc(Oc3ccccc3)o2)CC[C@@H]1C(=O)[O-] ZINC000625970638 968513675 /nfs/dbraw/zinc/51/36/75/968513675.db2.gz WLISMKNELBAUKA-BBRMVZONSA-N -1 3 315.369 3.615 20 0 DHADHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000331194955 1013864181 /nfs/dbraw/zinc/86/41/81/1013864181.db2.gz SZLQLLQKKMDKRH-GXFFZTMASA-N -1 3 317.307 3.555 20 0 DHADHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000331194953 1013864723 /nfs/dbraw/zinc/86/47/23/1013864723.db2.gz SZLQLLQKKMDKRH-GWCFXTLKSA-N -1 3 317.307 3.555 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000331196110 1013866532 /nfs/dbraw/zinc/86/65/32/1013866532.db2.gz LPYFMHNBLOYVAB-IFIJOSMWSA-N -1 3 323.408 3.521 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCCOc3c(F)cccc32)s1 ZINC000903681794 969584706 /nfs/dbraw/zinc/58/47/06/969584706.db2.gz JFDCFWKJGLQGFB-ZDUSSCGKSA-N -1 3 321.373 3.589 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cc(C)cc(F)c3)no2)c1 ZINC000317305120 1013889713 /nfs/dbraw/zinc/88/97/13/1013889713.db2.gz URGPILNQDCHSQN-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM O=C(Nc1nc2ccsc2s1)c1cc([O-])ccc1Cl ZINC000340501101 1013902336 /nfs/dbraw/zinc/90/23/36/1013902336.db2.gz XFCFEOCACRJHLK-UHFFFAOYSA-N -1 3 310.787 3.969 20 0 DHADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000255148918 1013958321 /nfs/dbraw/zinc/95/83/21/1013958321.db2.gz BSBJDLSLZOMYMU-RJRFIUFISA-N -1 3 309.152 3.746 20 0 DHADHM CCc1ccccc1CCSCCC[N-]C(=O)C(F)(F)F ZINC000766822177 1022536358 /nfs/dbraw/zinc/53/63/58/1022536358.db2.gz VLCVYPZWCSZTSX-UHFFFAOYSA-N -1 3 319.392 3.593 20 0 DHADHM O=C([O-])CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000261950979 1014009375 /nfs/dbraw/zinc/00/93/75/1014009375.db2.gz MZDBCZKWUONKDH-GFCCVEGCSA-N -1 3 315.335 3.782 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000556502469 1014034942 /nfs/dbraw/zinc/03/49/42/1014034942.db2.gz DOCQXJXWLCDOFS-UHFFFAOYSA-N -1 3 310.246 3.706 20 0 DHADHM CN(C)C(=O)Oc1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001210860420 1014074542 /nfs/dbraw/zinc/07/45/42/1014074542.db2.gz ZLESVYYMKJBIFG-UHFFFAOYSA-N -1 3 306.749 3.850 20 0 DHADHM O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000294612965 1032083199 /nfs/dbraw/zinc/08/31/99/1032083199.db2.gz PPNAYXOSHSTSIL-HOCLYGCPSA-N -1 3 324.424 3.887 20 0 DHADHM CC(C)c1ncc(CN[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417589393 973963950 /nfs/dbraw/zinc/96/39/50/973963950.db2.gz AOWUCGKZRPBZDU-HNNXBMFYSA-N -1 3 318.442 3.962 20 0 DHADHM COc1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c1 ZINC000520416879 974339659 /nfs/dbraw/zinc/33/96/59/974339659.db2.gz WZBKVIZBANZGHO-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM O=C([O-])c1ccoc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000566358080 974607405 /nfs/dbraw/zinc/60/74/05/974607405.db2.gz DAFCTWGAVINNJG-UHFFFAOYSA-N -1 3 303.333 3.529 20 0 DHADHM CC1(C)[C@@H]2CN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000579015691 974867729 /nfs/dbraw/zinc/86/77/29/974867729.db2.gz CUQLRSIFNOZZDD-FRRDWIJNSA-N -1 3 314.212 3.707 20 0 DHADHM Cc1cc(Cl)nc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC001625866912 1014220102 /nfs/dbraw/zinc/22/01/02/1014220102.db2.gz RKMOGNSFNZPNKF-UHFFFAOYSA-N -1 3 318.804 3.802 20 0 DHADHM Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)oc1C(=O)[O-] ZINC000581434682 974910634 /nfs/dbraw/zinc/91/06/34/974910634.db2.gz IFFALUFKLLFTHJ-UHFFFAOYSA-N -1 3 317.360 3.838 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCC(C)(C)C)nc2)n1 ZINC000077226799 1014227147 /nfs/dbraw/zinc/22/71/47/1014227147.db2.gz QIINHTFRNQTXHZ-UHFFFAOYSA-N -1 3 314.433 3.633 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)o1 ZINC000625971067 975067121 /nfs/dbraw/zinc/06/71/21/975067121.db2.gz JWEYDHMUIIXMIC-GFCCVEGCSA-N -1 3 321.323 3.636 20 0 DHADHM O=C(/C=C\c1ccccc1OC(F)F)Nc1cccc([O-])c1F ZINC000255629386 1014248950 /nfs/dbraw/zinc/24/89/50/1014248950.db2.gz UXQXIPQODTWIKJ-HJWRWDBZSA-N -1 3 323.270 3.785 20 0 DHADHM [O-]c1cc(F)c(Nc2cnccc2Br)cc1F ZINC001211234944 1014250811 /nfs/dbraw/zinc/25/08/11/1014250811.db2.gz DWPSUMXPPSDBJN-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CN(Cc1ccc(C(C)(C)C)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000652372315 975516886 /nfs/dbraw/zinc/51/68/86/975516886.db2.gz AVDMAZIXFVYCDX-KRWDZBQOSA-N -1 3 312.413 3.637 20 0 DHADHM O=C([O-])[C@@H]1CN(CC[C@@H]2CCc3ccccc32)Cc2ccccc21 ZINC000659788700 975874741 /nfs/dbraw/zinc/87/47/41/975874741.db2.gz MFJSRJAQRWZUQF-OXJNMPFZSA-N -1 3 321.420 3.791 20 0 DHADHM CC(C)c1[nH]c(CN(C)C[C@H](C)c2nccs2)cc1C(=O)[O-] ZINC001591910263 976315156 /nfs/dbraw/zinc/31/51/56/976315156.db2.gz AFGOCRFEHQQJMB-NSHDSACASA-N -1 3 321.446 3.528 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)C(C)(C)c2ccccc2)cc1[O-] ZINC000614593257 1014348130 /nfs/dbraw/zinc/34/81/30/1014348130.db2.gz PMNZBKAPMBMGLX-UHFFFAOYSA-N -1 3 311.381 3.602 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1CC(=O)[O-] ZINC000722602768 978147364 /nfs/dbraw/zinc/14/73/64/978147364.db2.gz CEWMSJOAMPRRLI-MWLCHTKSSA-N -1 3 302.201 3.536 20 0 DHADHM CC(C)(C)c1ccc(CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160741029 1014521259 /nfs/dbraw/zinc/52/12/59/1014521259.db2.gz DRRUTLJJGGICOC-UHFFFAOYSA-N -1 3 312.413 3.560 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1C(F)(F)F ZINC000827717322 978964116 /nfs/dbraw/zinc/96/41/16/978964116.db2.gz GMMRDFMMMHISKY-IINYFYTJSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](NC[C@H](C)Sc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001592706015 979173074 /nfs/dbraw/zinc/17/30/74/979173074.db2.gz IKIXHKSKRQVAQU-NWDGAFQWSA-N -1 3 305.399 3.809 20 0 DHADHM O=C([O-])c1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000840994638 979292319 /nfs/dbraw/zinc/29/23/19/979292319.db2.gz JFMHIIMLHLVYRZ-QGZVFWFLSA-N -1 3 323.392 3.921 20 0 DHADHM Cc1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)c([O-])c1 ZINC000581113713 1014568744 /nfs/dbraw/zinc/56/87/44/1014568744.db2.gz IYXYLTAJTCINFU-UHFFFAOYSA-N -1 3 313.401 3.734 20 0 DHADHM CCSc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255277890 1014581511 /nfs/dbraw/zinc/58/15/11/1014581511.db2.gz VWYVUXNVOFPOTG-WJDWOHSUSA-N -1 3 324.405 3.522 20 0 DHADHM CC(C)c1cnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000859812409 979642504 /nfs/dbraw/zinc/64/25/04/979642504.db2.gz ORLQDQJGKVLFQH-GFCCVEGCSA-N -1 3 310.463 3.589 20 0 DHADHM O=C([O-])c1csc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000872158322 980040510 /nfs/dbraw/zinc/04/05/10/980040510.db2.gz AELFBFFHFSXYPU-SNVBAGLBSA-N -1 3 323.364 3.714 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000128512713 1014636973 /nfs/dbraw/zinc/63/69/73/1014636973.db2.gz FGIBFNMLWTYIBJ-GHMZBOCLSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccccc1Cl ZINC000128511988 1014637291 /nfs/dbraw/zinc/63/72/91/1014637291.db2.gz FGIBFNMLWTYIBJ-QWRGUYRKSA-N -1 3 305.736 3.927 20 0 DHADHM O=C([O-])/C=C/c1ccc(CN2CCSC3(CCCCC3)C2)o1 ZINC000901436122 980283370 /nfs/dbraw/zinc/28/33/70/980283370.db2.gz MXZVKNYCZCEMEQ-VOTSOKGWSA-N -1 3 321.442 3.629 20 0 DHADHM CC[C@H](NCc1ccc(C)cc1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299801 980430909 /nfs/dbraw/zinc/43/09/09/980430909.db2.gz GEMBNHJFNBHTQE-KRWDZBQOSA-N -1 3 313.397 3.943 20 0 DHADHM C[C@H](CCCC(F)(F)F)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908333 980621262 /nfs/dbraw/zinc/62/12/62/980621262.db2.gz SYXOCPMQELQZAZ-HTQZYQBOSA-N -1 3 310.341 3.613 20 0 DHADHM C[C@@H](N[C@@H](C)CCc1ccsc1)c1ncc(C(=O)[O-])s1 ZINC000901908183 980621311 /nfs/dbraw/zinc/62/13/11/980621311.db2.gz QFHHIVDYNUNQGM-VHSXEESVSA-N -1 3 310.444 3.575 20 0 DHADHM C[C@H](CCc1ccccc1F)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901909599 980622248 /nfs/dbraw/zinc/62/22/48/980622248.db2.gz DHSFCXWHKPZLQZ-GHMZBOCLSA-N -1 3 322.405 3.652 20 0 DHADHM CC(C)c1ccc(CCN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911345 980623679 /nfs/dbraw/zinc/62/36/79/980623679.db2.gz JYPLPKWHLBITQU-GFCCVEGCSA-N -1 3 318.442 3.858 20 0 DHADHM CCOc1cccc([C@@H](C)NCc2csc(C(=O)[O-])c2)c1 ZINC000902165167 980764234 /nfs/dbraw/zinc/76/42/34/980764234.db2.gz QIRFRXFMAALXLA-LLVKDONJSA-N -1 3 305.399 3.696 20 0 DHADHM O=C([O-])c1occc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000902260964 980805382 /nfs/dbraw/zinc/80/53/82/980805382.db2.gz GIJYSEMGYRIHEH-AWEZNQCLSA-N -1 3 305.761 3.798 20 0 DHADHM CCO[C@@H]1C[C@@H](NCc2cc(C)c(C(=O)[O-])o2)C12CCCCC2 ZINC000902322069 980831517 /nfs/dbraw/zinc/83/15/17/980831517.db2.gz HFCLTWQBGXQVMN-HUUCEWRRSA-N -1 3 321.417 3.504 20 0 DHADHM CCc1oc(CN[C@H]2c3ccccc3CC[C@@H]2C)cc1C(=O)[O-] ZINC000902340055 980839711 /nfs/dbraw/zinc/83/97/11/980839711.db2.gz XRHCTMHWLCFQBI-KPZWWZAWSA-N -1 3 313.397 3.953 20 0 DHADHM CCC1(CC)CN(Cc2cc(C(=O)[O-])ccc2OC)CCS1 ZINC001595376412 980905399 /nfs/dbraw/zinc/90/53/99/980905399.db2.gz XBPRCFIIYYVNMZ-UHFFFAOYSA-N -1 3 323.458 3.501 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cc(C(=O)[O-])no1 ZINC000902525853 980921584 /nfs/dbraw/zinc/92/15/84/980921584.db2.gz LZXWKCROWHRYOJ-WDEREUQCSA-N -1 3 322.792 3.650 20 0 DHADHM CCOc1cc(CNc2cnn(C(C)C)c2)cc(Cl)c1[O-] ZINC000521570072 1014731530 /nfs/dbraw/zinc/73/15/30/1014731530.db2.gz BANPOKZWKFSLEW-UHFFFAOYSA-N -1 3 309.797 3.834 20 0 DHADHM CCC[C@@](C)(NCc1cc(-c2ccccc2Cl)on1)C(=O)[O-] ZINC001595559101 981439639 /nfs/dbraw/zinc/43/96/39/981439639.db2.gz CXPYVFCKKZQXRA-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM CC[C@](C)(NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001594852592 982096589 /nfs/dbraw/zinc/09/65/89/982096589.db2.gz OBNYYYITEBDXBP-HNNXBMFYSA-N -1 3 324.833 3.806 20 0 DHADHM CCCN(Cc1cc(C(=O)[O-])ccc1Br)C(C)C ZINC001595885978 982912038 /nfs/dbraw/zinc/91/20/38/982912038.db2.gz QJRRJPPISNMLDB-UHFFFAOYSA-N -1 3 314.223 3.768 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@H](C)c1ccc(F)cc1 ZINC001596354199 983815275 /nfs/dbraw/zinc/81/52/75/983815275.db2.gz CQSJUZMRPMLRDW-GFCCVEGCSA-N -1 3 318.392 3.754 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC001596354440 983818861 /nfs/dbraw/zinc/81/88/61/983818861.db2.gz QYBMRJDJMRAJPK-LBPRGKRZSA-N -1 3 304.365 3.744 20 0 DHADHM CCN(Cc1occc1C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001596380411 983901223 /nfs/dbraw/zinc/90/12/23/983901223.db2.gz GQCGGBUWXLYRCN-UHFFFAOYSA-N -1 3 324.380 3.857 20 0 DHADHM O=C(CCOc1cc(Cl)cc(Cl)c1)[N-]OC/C=C\Cl ZINC001141763134 1015044997 /nfs/dbraw/zinc/04/49/97/1015044997.db2.gz IOWQWMOGSVUGPX-IWQZZHSRSA-N -1 3 324.591 3.563 20 0 DHADHM C/C(=C\c1ccccc1)CN(C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001589003739 984956282 /nfs/dbraw/zinc/95/62/82/984956282.db2.gz JYOKUCKHTFNGSJ-GXDHUFHOSA-N -1 3 312.413 3.567 20 0 DHADHM CC[C@H](C)N(CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000656756571 1015129971 /nfs/dbraw/zinc/12/99/71/1015129971.db2.gz MGJFHBVAHNNWSC-LBPRGKRZSA-N -1 3 302.374 3.660 20 0 DHADHM CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC001596833754 985471123 /nfs/dbraw/zinc/47/11/23/985471123.db2.gz QCTQRQDLYUMGGU-VBNZEHGJSA-N -1 3 321.417 3.756 20 0 DHADHM CCCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656763795 1015135620 /nfs/dbraw/zinc/13/56/20/1015135620.db2.gz IBYGNNDFHIAYPS-QLFBSQMISA-N -1 3 322.474 3.561 20 0 DHADHM Cc1[nH]c(CN2CCC(C)(c3ccccc3)CC2)cc1C(=O)[O-] ZINC001599963123 985835461 /nfs/dbraw/zinc/83/54/61/985835461.db2.gz XSIVNDOZRUCANB-UHFFFAOYSA-N -1 3 312.413 3.575 20 0 DHADHM Cc1[nH]c(CNC2(c3cccc(Cl)c3)CCC2)cc1C(=O)[O-] ZINC001599964538 985875755 /nfs/dbraw/zinc/87/57/55/985875755.db2.gz MKBPUPORQKIDPL-UHFFFAOYSA-N -1 3 318.804 3.844 20 0 DHADHM CCOc1ccccc1[C@H](CC)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001597173281 987015050 /nfs/dbraw/zinc/01/50/50/987015050.db2.gz SHGVPHRTAVRPPN-FUHWJXTLSA-N -1 3 313.397 3.952 20 0 DHADHM C[C@H](C(=O)[O-])N(Cc1cc2ccccc2nc1Cl)C1CCC1 ZINC001589487312 987046591 /nfs/dbraw/zinc/04/65/91/987046591.db2.gz ZISTXXGRXYNKSW-LLVKDONJSA-N -1 3 318.804 3.716 20 0 DHADHM O=C(NC[C@H]1CCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000452813948 1015278347 /nfs/dbraw/zinc/27/83/47/1015278347.db2.gz HMSRIPOVVIJDCQ-CYBMUJFWSA-N -1 3 305.324 3.711 20 0 DHADHM CCc1[nH]c(CN2C[C@H](C)C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383366 987582718 /nfs/dbraw/zinc/58/27/18/987582718.db2.gz DUNWFHVIEHLBOC-FZKQIMNGSA-N -1 3 312.413 3.858 20 0 DHADHM CCc1[nH]c(CN2CCC[C@@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC001597386768 987608920 /nfs/dbraw/zinc/60/89/20/987608920.db2.gz OSLQJXFDTBYIHZ-GOSISDBHSA-N -1 3 312.413 3.921 20 0 DHADHM CCc1[nH]c(CNC2(c3ccc(C)cc3)CCC2)cc1C(=O)[O-] ZINC001597392400 987625483 /nfs/dbraw/zinc/62/54/83/987625483.db2.gz SJHDNCXTURVISS-UHFFFAOYSA-N -1 3 312.413 3.753 20 0 DHADHM CCc1[nH]c(CN[C@H](CC)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597394900 987644277 /nfs/dbraw/zinc/64/42/77/987644277.db2.gz JGSNXKKQOTXBHV-OAHLLOKOSA-N -1 3 304.365 3.655 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC001143397181 1015340077 /nfs/dbraw/zinc/34/00/77/1015340077.db2.gz HNUHXXPLAWUCJU-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000053665929 1015348838 /nfs/dbraw/zinc/34/88/38/1015348838.db2.gz HDNBMQADFVJJIB-UHFFFAOYSA-N -1 3 312.369 3.610 20 0 DHADHM CSC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599794492 988072706 /nfs/dbraw/zinc/07/27/06/988072706.db2.gz OAYTVTMSEKNQHA-NSHDSACASA-N -1 3 313.850 3.613 20 0 DHADHM CCc1ccccc1CN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001597609543 988496771 /nfs/dbraw/zinc/49/67/71/988496771.db2.gz RCGRPUNXAUMDMQ-CQSZACIVSA-N -1 3 313.397 3.563 20 0 DHADHM CSc1ccc([C@H](C)N[C@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001599821251 988518377 /nfs/dbraw/zinc/51/83/77/988518377.db2.gz RHQBTNPFZBJXGV-NWDGAFQWSA-N -1 3 316.426 3.914 20 0 DHADHM [O-]c1cccnc1CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000581911545 1015524059 /nfs/dbraw/zinc/52/40/59/1015524059.db2.gz ZSOLATZAANYFOC-GFCCVEGCSA-N -1 3 314.282 3.710 20 0 DHADHM C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)CC(F)(F)F ZINC000840516587 1015555612 /nfs/dbraw/zinc/55/56/12/1015555612.db2.gz GAIGQZUAEAOIDG-MRVPVSSYSA-N -1 3 317.332 3.925 20 0 DHADHM CC(C)[C@@H](NCc1ccccc1CC(=O)[O-])c1ccccc1F ZINC001591030222 991331546 /nfs/dbraw/zinc/33/15/46/991331546.db2.gz GHLJHZONZIWMQZ-LJQANCHMSA-N -1 3 315.388 3.940 20 0 DHADHM CCc1ccc(-c2nc([C@@H](C)OCC(F)(F)F)no2)c([O-])c1 ZINC000896612048 1015673033 /nfs/dbraw/zinc/67/30/33/1015673033.db2.gz WDEGPAZIFOBHDI-MRVPVSSYSA-N -1 3 316.279 3.645 20 0 DHADHM CC(C)CCc1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC001591270648 992192244 /nfs/dbraw/zinc/19/22/44/992192244.db2.gz ZQZNHQQQVNNVMW-UHFFFAOYSA-N -1 3 324.490 3.999 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC001593195070 994144259 /nfs/dbraw/zinc/14/42/59/994144259.db2.gz PJBTVYURHUFSQC-RNCFNFMXSA-N -1 3 312.291 3.510 20 0 DHADHM C[C@@H](N[C@@H]1CCCc2sccc21)c1cncc(C(=O)[O-])c1 ZINC001593218359 994284688 /nfs/dbraw/zinc/28/46/88/994284688.db2.gz HSLGZWKOBOAKDS-QMTHXVAHSA-N -1 3 302.399 3.570 20 0 DHADHM COc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599657301 994602151 /nfs/dbraw/zinc/60/21/51/994602151.db2.gz MLLWFJMNYORCAW-MEDUHNTESA-N -1 3 319.788 3.825 20 0 DHADHM COc1cccc([C@H](N[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599659931 994640815 /nfs/dbraw/zinc/64/08/15/994640815.db2.gz QDJPJHPWUTXWPC-ZBEGNZNMSA-N -1 3 319.788 3.825 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccsc1 ZINC001593296513 994696641 /nfs/dbraw/zinc/69/66/41/994696641.db2.gz NARMIUMMGSQCOV-NSHDSACASA-N -1 3 312.394 3.845 20 0 DHADHM C[C@@H](N[C@H]1CCCc2cccnc21)c1cc(C(=O)[O-])cs1 ZINC001593357715 995011330 /nfs/dbraw/zinc/01/13/30/995011330.db2.gz XDGMCKVHAOULAG-MFKMUULPSA-N -1 3 302.399 3.570 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1O ZINC000588482193 1015969704 /nfs/dbraw/zinc/96/97/04/1015969704.db2.gz CHLUWNKDTLOHJU-HJWRWDBZSA-N -1 3 323.801 3.767 20 0 DHADHM COC[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC001599174250 996810880 /nfs/dbraw/zinc/81/08/80/996810880.db2.gz UUVYPNFXSWHVSN-KBXCAEBGSA-N -1 3 313.397 3.732 20 0 DHADHM CCCCOc1ccc(CCNC(=O)c2ccccc2[O-])cc1 ZINC001625873049 1016073643 /nfs/dbraw/zinc/07/36/43/1016073643.db2.gz VGYZESAKAAMHMW-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM C[C@@]1(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1(F)F ZINC001594027694 997580576 /nfs/dbraw/zinc/58/05/76/997580576.db2.gz ZTLDHHIEYZAQFO-PWSUYJOCSA-N -1 3 324.154 3.754 20 0 DHADHM C[C@]1(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1(F)F ZINC001594027695 997580604 /nfs/dbraw/zinc/58/06/04/997580604.db2.gz ZTLDHHIEYZAQFO-ZYHUDNBSSA-N -1 3 324.154 3.754 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(C)cs1 ZINC000277299808 1016171746 /nfs/dbraw/zinc/17/17/46/1016171746.db2.gz AXIIRUKKPMVZKV-GFCCVEGCSA-N -1 3 310.806 3.692 20 0 DHADHM CC1=C(C)CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594110436 998209728 /nfs/dbraw/zinc/20/97/28/998209728.db2.gz WAHGRWSKLBOZQD-CQSZACIVSA-N -1 3 313.319 3.873 20 0 DHADHM CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599063917 999285956 /nfs/dbraw/zinc/28/59/56/999285956.db2.gz OLTJGINKUPEFMI-GDLVEWKHSA-N -1 3 321.348 3.544 20 0 DHADHM C[C@@H]1CCC[C@@H](C2CN(Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC001594344979 999304914 /nfs/dbraw/zinc/30/49/14/999304914.db2.gz LASHEOBXZRYCMF-TZMCWYRMSA-N -1 3 305.393 3.782 20 0 DHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000277434803 1016316709 /nfs/dbraw/zinc/31/67/09/1016316709.db2.gz UDNIKSGEAHSJQU-LBPRGKRZSA-N -1 3 324.471 3.851 20 0 DHADHM Cc1cc(C)nc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000622454994 1016412876 /nfs/dbraw/zinc/41/28/76/1016412876.db2.gz AZVSYLFTQNNJPT-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCc3cc(F)ccc3C2)c([O-])c1 ZINC000622478642 1016423508 /nfs/dbraw/zinc/42/35/08/1016423508.db2.gz MLSADZKMIKNFIQ-UHFFFAOYSA-N -1 3 313.372 3.853 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(C3CCCC3)nn2C)c1[O-] ZINC000622500263 1016429735 /nfs/dbraw/zinc/42/97/35/1016429735.db2.gz PAADWOMRONFXDD-UHFFFAOYSA-N -1 3 313.401 3.598 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000346587637 1016457583 /nfs/dbraw/zinc/45/75/83/1016457583.db2.gz FIPJTJJHHGLQCM-QMMMGPOBSA-N -1 3 320.805 3.874 20 0 DHADHM Cc1ccc(C(=O)NCc2cc(F)c(Cl)cc2F)c([O-])c1 ZINC000622567357 1016461791 /nfs/dbraw/zinc/46/17/91/1016461791.db2.gz PFSFCDUYKRVNPP-UHFFFAOYSA-N -1 3 311.715 3.562 20 0 DHADHM CCCCn1c(C)c(C)nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000346612666 1016479276 /nfs/dbraw/zinc/47/92/76/1016479276.db2.gz ZXNCWXDRBHPAJI-ZDUSSCGKSA-N -1 3 320.462 3.957 20 0 DHADHM CC(C)CC1(C)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622604154 1016481208 /nfs/dbraw/zinc/48/12/08/1016481208.db2.gz XXJKPBBIRCFUJG-UHFFFAOYSA-N -1 3 307.409 3.749 20 0 DHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283311 1016500502 /nfs/dbraw/zinc/50/05/02/1016500502.db2.gz XUCUDMDTIVIRLE-HZPDHXFCSA-N -1 3 323.408 3.549 20 0 DHADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000622740412 1016551919 /nfs/dbraw/zinc/55/19/19/1016551919.db2.gz DAMIUSPQLVQRAG-CQSZACIVSA-N -1 3 305.418 3.545 20 0 DHADHM CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1nccs1 ZINC000185078027 1016544220 /nfs/dbraw/zinc/54/42/20/1016544220.db2.gz OJLCTZLXLGZUNJ-ZDUSSCGKSA-N -1 3 324.833 3.946 20 0 DHADHM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000622747495 1016558554 /nfs/dbraw/zinc/55/85/54/1016558554.db2.gz HDYJLZASGJLCTN-LLVKDONJSA-N -1 3 321.779 3.854 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1[O-] ZINC000582376061 1016642108 /nfs/dbraw/zinc/64/21/08/1016642108.db2.gz XGDUVZJIIHISSU-UHFFFAOYSA-N -1 3 317.772 3.820 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623017804 1016827769 /nfs/dbraw/zinc/82/77/69/1016827769.db2.gz KCTCJMAUSMLUAQ-AOOOYVTPSA-N -1 3 301.308 3.814 20 0 DHADHM Cc1nc(-c2c[nH]c(C(=O)Nc3cc(F)ccc3[O-])c2)cs1 ZINC000174879678 1016844059 /nfs/dbraw/zinc/84/40/59/1016844059.db2.gz VCXRLHXUKHBZCM-UHFFFAOYSA-N -1 3 317.345 3.544 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000176803008 1017039096 /nfs/dbraw/zinc/03/90/96/1017039096.db2.gz KKILCKMXNLUBLA-QGZVFWFLSA-N -1 3 317.820 3.639 20 0 DHADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])O2 ZINC000476399348 1032154821 /nfs/dbraw/zinc/15/48/21/1032154821.db2.gz RBRJXCAQNSZLKF-INIZCTEOSA-N -1 3 317.772 3.686 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccoc1C1CC1 ZINC000684951081 1017076182 /nfs/dbraw/zinc/07/61/82/1017076182.db2.gz OEYWIPNIZVEFQH-UHFFFAOYSA-N -1 3 322.158 3.877 20 0 DHADHM C[C@@H]1C[C@H](C)CN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238306672 1017078881 /nfs/dbraw/zinc/07/88/81/1017078881.db2.gz ARQRENIANHURNB-AOOOYVTPSA-N -1 3 316.214 3.772 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000362184080 1032264742 /nfs/dbraw/zinc/26/47/42/1032264742.db2.gz QZTNUMFTSNAQLT-UHFFFAOYSA-N -1 3 319.405 3.801 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3ncco3)ccc2C)c1 ZINC000089222471 1032329947 /nfs/dbraw/zinc/32/99/47/1032329947.db2.gz WPRJYWOBGYFRCB-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(CC)cc2[O-])C1(CC)CC ZINC001148355320 1032389835 /nfs/dbraw/zinc/38/98/35/1032389835.db2.gz QZESBKONJODWQP-IAGOWNOFSA-N -1 3 319.445 3.668 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c4ccccc4oc3C2)c([O-])c1 ZINC001148504414 1032409688 /nfs/dbraw/zinc/40/96/88/1032409688.db2.gz PKEQPLNRKZWYJB-UHFFFAOYSA-N -1 3 307.349 3.645 20 0 DHADHM Cc1cccc(CO[N-]C(=O)CC(C)(C)C2CCCCC2)n1 ZINC001149463008 1032440951 /nfs/dbraw/zinc/44/09/51/1032440951.db2.gz VOLIIMHLTORBEM-UHFFFAOYSA-N -1 3 304.434 3.934 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000537642582 1032547999 /nfs/dbraw/zinc/54/79/99/1032547999.db2.gz JIEHQUAEMANSKL-OAHLLOKOSA-N -1 3 322.408 3.584 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1[O-] ZINC000537647025 1032574862 /nfs/dbraw/zinc/57/48/62/1032574862.db2.gz GGXYOHJRQBYGHW-CQSZACIVSA-N -1 3 301.411 3.993 20 0 DHADHM COc1ccc2oc(C)c(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000049458250 1011916706 /nfs/dbraw/zinc/91/67/06/1011916706.db2.gz INLZEFVYXKIWJO-CQSZACIVSA-N -1 3 306.321 3.635 20 0 DHADHM Cc1ccc2oc(C[N-]c3nc(C4CCOCC4)no3)cc2c1 ZINC000664379309 1011923503 /nfs/dbraw/zinc/92/35/03/1011923503.db2.gz IGMRAACDKQRZMJ-UHFFFAOYSA-N -1 3 313.357 3.630 20 0 DHADHM Cc1cc2cc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])oc2cc1C ZINC000424425784 1012017371 /nfs/dbraw/zinc/01/73/71/1012017371.db2.gz ZOSGAVKMJSALMQ-PIGZYNQJSA-N -1 3 301.386 3.735 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(Cl)c1Cl ZINC000078868627 1012047076 /nfs/dbraw/zinc/04/70/76/1012047076.db2.gz HDYZOULLWSNAPQ-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1ncccc1[O-] ZINC000073002345 1012344558 /nfs/dbraw/zinc/34/45/58/1012344558.db2.gz NMYDJQWTOLLERH-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM CSc1cccc(F)c1CNCc1c(F)ccc([O-])c1F ZINC000353455735 1012353439 /nfs/dbraw/zinc/35/34/39/1012353439.db2.gz SIKOXOQRVVTDQB-UHFFFAOYSA-N -1 3 313.344 3.821 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108086223 1012383525 /nfs/dbraw/zinc/38/35/25/1012383525.db2.gz KZGUNGWVXAEHNC-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM CCCc1occc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000514529389 1012385757 /nfs/dbraw/zinc/38/57/57/1012385757.db2.gz FDRIWYGBOOSHQL-UHFFFAOYSA-N -1 3 324.174 3.953 20 0 DHADHM Cc1ccnc([C@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)c1 ZINC000655133261 1012475361 /nfs/dbraw/zinc/47/53/61/1012475361.db2.gz DEERFUYZXGLFLI-INIZCTEOSA-N -1 3 324.424 3.849 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655165947 1012530351 /nfs/dbraw/zinc/53/03/51/1012530351.db2.gz YBEOAVQHIZHMOI-UHFFFAOYSA-N -1 3 323.396 3.581 20 0 DHADHM CC[C@H]1CC[C@H](C)N1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873010 1012852549 /nfs/dbraw/zinc/85/25/49/1012852549.db2.gz YJLXMLMKZOUOAY-JSGCOSHPSA-N -1 3 315.417 3.517 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000232747830 1012941909 /nfs/dbraw/zinc/94/19/09/1012941909.db2.gz SHWARVAQDZQOQG-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM O=C(CCc1ncc(-c2ccccc2)o1)[N-]OCc1ccccc1 ZINC000140872464 1032673744 /nfs/dbraw/zinc/67/37/44/1032673744.db2.gz JBAFQRPIYUNWMC-UHFFFAOYSA-N -1 3 322.364 3.522 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc3ccc(C)nc32)c1[O-] ZINC000579882092 1013022101 /nfs/dbraw/zinc/02/21/01/1013022101.db2.gz QLCJWQHSJHOOKH-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM [O-]c1ccccc1-c1nc([C@@H]2CCOC3(CCCC3)C2)no1 ZINC000897186688 1017135906 /nfs/dbraw/zinc/13/59/06/1017135906.db2.gz GBUUODFYFGCAAC-GFCCVEGCSA-N -1 3 300.358 3.649 20 0 DHADHM Cc1ccc(C)c(NC(=O)[N-]c2cc(-c3ccccn3)no2)c1 ZINC001202756925 1032690977 /nfs/dbraw/zinc/69/09/77/1032690977.db2.gz BEFLEVHUUSKLLY-UHFFFAOYSA-N -1 3 308.341 3.997 20 0 DHADHM CCc1ccc([C@H](COC)N[C@@H](C)c2cc([O-])cc(F)c2)o1 ZINC000925146745 1017334583 /nfs/dbraw/zinc/33/45/83/1017334583.db2.gz PNRKICSKGIACQF-ZBEGNZNMSA-N -1 3 307.365 3.725 20 0 DHADHM CSc1cc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)o1 ZINC000666971671 1032695219 /nfs/dbraw/zinc/69/52/19/1032695219.db2.gz CTHKADVFZAQBEC-UHFFFAOYSA-N -1 3 311.432 3.711 20 0 DHADHM COc1cccc(F)c1CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001167607942 1017414018 /nfs/dbraw/zinc/41/40/18/1017414018.db2.gz AAXPVFZKQFKXJZ-UHFFFAOYSA-N -1 3 302.374 3.742 20 0 DHADHM COc1csc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180357663 1017426343 /nfs/dbraw/zinc/42/63/43/1017426343.db2.gz NDMGDNUYQLYIRV-UHFFFAOYSA-N -1 3 303.717 3.941 20 0 DHADHM O=c1[n-]c([C@H](F)c2ccc(C(F)(F)F)cc2)nc2cccnc21 ZINC000337766158 1017426381 /nfs/dbraw/zinc/42/63/81/1017426381.db2.gz SQXFRRLPGSWGKS-LLVKDONJSA-N -1 3 323.249 3.808 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cscc2C(F)(F)F)n1 ZINC000874692920 1032705111 /nfs/dbraw/zinc/70/51/11/1032705111.db2.gz JCQDPHUMHKDOIG-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000624128365 1017701036 /nfs/dbraw/zinc/70/10/36/1017701036.db2.gz DKPBAOSOAMJMDP-MRXNPFEDSA-N -1 3 310.397 3.853 20 0 DHADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523519330 1017718414 /nfs/dbraw/zinc/71/84/14/1017718414.db2.gz FOZRLKLPRIAMRV-VIFPVBQESA-N -1 3 310.246 3.564 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(F)cc2F)C(C)C)n1 ZINC000181637686 1017777874 /nfs/dbraw/zinc/77/78/74/1017777874.db2.gz DSIXXUFSZUYDLY-QGZVFWFLSA-N -1 3 321.371 3.510 20 0 DHADHM CCc1cc2c([nH]c(-c3cc([O-])cc(Cl)c3)nc2=O)s1 ZINC000487515592 1017940811 /nfs/dbraw/zinc/94/08/11/1017940811.db2.gz OTFAOMSRJBBNTJ-UHFFFAOYSA-N -1 3 306.774 3.985 20 0 DHADHM COc1ccc([O-])c(-c2nc(C(C)(C)Cc3ccccc3)no2)c1 ZINC000445798147 1017982360 /nfs/dbraw/zinc/98/23/60/1017982360.db2.gz FSLPVMLNTZUSHS-UHFFFAOYSA-N -1 3 324.380 3.971 20 0 DHADHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc([O-])ccc1Cl ZINC000364355301 1018032571 /nfs/dbraw/zinc/03/25/71/1018032571.db2.gz RBKMAOUYTSMEJU-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCCC(C)C ZINC000764433815 1018281558 /nfs/dbraw/zinc/28/15/58/1018281558.db2.gz FWQTUVGEMIPGBM-ALCCZGGFSA-N -1 3 314.385 3.786 20 0 DHADHM Cc1ccc(-c2cnc(C[S@](=O)c3ccc([O-])cc3)o2)cc1 ZINC000080140755 1018353116 /nfs/dbraw/zinc/35/31/16/1018353116.db2.gz WHKUCCULBZTQDS-JOCHJYFZSA-N -1 3 313.378 3.663 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1Cl ZINC000174052562 1018383715 /nfs/dbraw/zinc/38/37/15/1018383715.db2.gz BLPMUKUBRPTRBJ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1c(F)cccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1 ZINC000874926920 1032760508 /nfs/dbraw/zinc/76/05/08/1032760508.db2.gz BIVBJOJUMINORF-NTUHNPAUSA-N -1 3 303.314 3.718 20 0 DHADHM Cc1oc(C)c(C(=O)Nc2ccc(Br)cc2[O-])c1C ZINC000125993404 1018395892 /nfs/dbraw/zinc/39/58/92/1018395892.db2.gz HGZQBKNGJFJDIY-UHFFFAOYSA-N -1 3 324.174 3.925 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cccc4nccc(Cl)c43)no2)nc1 ZINC001212559115 1018467762 /nfs/dbraw/zinc/46/77/62/1018467762.db2.gz WGVFCXJGINPVHM-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000027639564 1018516181 /nfs/dbraw/zinc/51/61/81/1018516181.db2.gz GLHMYERKZRAHCS-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213388936 1018540811 /nfs/dbraw/zinc/54/08/11/1018540811.db2.gz UIISZQSELNWUJU-UHFFFAOYSA-N -1 3 318.323 3.615 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000527275036 1018544098 /nfs/dbraw/zinc/54/40/98/1018544098.db2.gz NIPAYEPFDPQNAV-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Br)s1 ZINC000128464929 1018573355 /nfs/dbraw/zinc/57/33/55/1018573355.db2.gz FBLOLPIHAMMVFY-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2ccccc2)on1 ZINC000562054624 1018682193 /nfs/dbraw/zinc/68/21/93/1018682193.db2.gz QMUFTCVCHZTYKG-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM Cc1ccc2oc(C(=O)[N-]c3c(F)cc(F)cc3F)cc2n1 ZINC000072526578 1018754421 /nfs/dbraw/zinc/75/44/21/1018754421.db2.gz WBHAKYFACWVBRC-UHFFFAOYSA-N -1 3 306.243 3.806 20 0 DHADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000073130452 1018816095 /nfs/dbraw/zinc/81/60/95/1018816095.db2.gz FHWOBEQGUZNSPM-SNVBAGLBSA-N -1 3 302.374 3.611 20 0 DHADHM CC(C)c1nc(CNC[C@]2(CC(=O)[O-])CC[C@H](C)C2)cs1 ZINC001116762624 1018837860 /nfs/dbraw/zinc/83/78/60/1018837860.db2.gz VHHKVFJIZFYLLH-BLLLJJGKSA-N -1 3 310.463 3.637 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000132980837 1018862846 /nfs/dbraw/zinc/86/28/46/1018862846.db2.gz TZHOSBHICNVFPV-QWRGUYRKSA-N -1 3 319.298 3.516 20 0 DHADHM O=C(N[C@@H]1CCc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000471592972 1018882849 /nfs/dbraw/zinc/88/28/49/1018882849.db2.gz IDEUCNGMBNREBN-GOSISDBHSA-N -1 3 317.388 3.833 20 0 DHADHM COCc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471699662 1018920542 /nfs/dbraw/zinc/92/05/42/1018920542.db2.gz BCVRWMKJYXGPCS-UHFFFAOYSA-N -1 3 321.376 3.622 20 0 DHADHM COCc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471710206 1018924703 /nfs/dbraw/zinc/92/47/03/1018924703.db2.gz ZHXDYLLBLCLIDE-UHFFFAOYSA-N -1 3 307.349 3.944 20 0 DHADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ncccc4[O-])cc3c2C1 ZINC000022261621 1018968020 /nfs/dbraw/zinc/96/80/20/1018968020.db2.gz DTUQPBYUZSJGQW-LLVKDONJSA-N -1 3 321.380 3.646 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCCC[C@@H]1C ZINC000565106906 1018985943 /nfs/dbraw/zinc/98/59/43/1018985943.db2.gz ZMZPBAAGDYPQFJ-ZDUSSCGKSA-N -1 3 315.417 3.519 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024695148 1019010715 /nfs/dbraw/zinc/01/07/15/1019010715.db2.gz PIFUPXLGKUFCGQ-CYBMUJFWSA-N -1 3 322.364 3.553 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000387131121 1019048307 /nfs/dbraw/zinc/04/83/07/1019048307.db2.gz SBWZJMUDRWPOBU-UHFFFAOYSA-N -1 3 309.715 3.850 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(C(F)F)CC1 ZINC000355229831 1019094156 /nfs/dbraw/zinc/09/41/56/1019094156.db2.gz OQFAFDKPUCWJKG-UHFFFAOYSA-N -1 3 305.324 3.663 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c([O-])c1 ZINC000031378531 1019220168 /nfs/dbraw/zinc/22/01/68/1019220168.db2.gz IITAQEVRIFRFTC-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1O ZINC000033894496 1019259974 /nfs/dbraw/zinc/25/99/74/1019259974.db2.gz CCHHDLWLLGFNNL-UHFFFAOYSA-N -1 3 319.426 3.735 20 0 DHADHM CC(C)(C)n1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000471925338 1019312700 /nfs/dbraw/zinc/31/27/00/1019312700.db2.gz RJJCQROYDKUOIG-UHFFFAOYSA-N -1 3 309.369 3.749 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000043499743 1019350640 /nfs/dbraw/zinc/35/06/40/1019350640.db2.gz KKSYMLSUDJPOAI-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccccc1C(=O)c1ccccc1 ZINC000039546086 1019357653 /nfs/dbraw/zinc/35/76/53/1019357653.db2.gz OMOWZOZMOCNFFB-UHFFFAOYSA-N -1 3 317.344 3.876 20 0 DHADHM Cc1ccc(CO)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472334626 1019376778 /nfs/dbraw/zinc/37/67/78/1019376778.db2.gz ILIXLCNAPQUWMV-UHFFFAOYSA-N -1 3 307.349 3.598 20 0 DHADHM Cc1ccc(Br)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212484333 1019440717 /nfs/dbraw/zinc/44/07/17/1019440717.db2.gz YAZVYHGXQOQHGL-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000624324918 1019511051 /nfs/dbraw/zinc/51/10/51/1019511051.db2.gz ZAUTXGTZQABYRA-INIZCTEOSA-N -1 3 313.372 3.687 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2C)c1 ZINC000093902678 1019591595 /nfs/dbraw/zinc/59/15/95/1019591595.db2.gz JZTPGPWZSNDPKB-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000163784219 1019608826 /nfs/dbraw/zinc/60/88/26/1019608826.db2.gz VLLMLYNRNCGKSR-LBPRGKRZSA-N -1 3 313.781 3.846 20 0 DHADHM COc1cccc(/C(C)=C\C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000751400613 1019658118 /nfs/dbraw/zinc/65/81/18/1019658118.db2.gz WCYGPMCAELFKEX-FLIBITNWSA-N -1 3 301.317 3.582 20 0 DHADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])c3ccccc3c1)CO2 ZINC000525926369 1019726890 /nfs/dbraw/zinc/72/68/90/1019726890.db2.gz DNDKYDIBWVBYRJ-QGZVFWFLSA-N -1 3 319.360 3.717 20 0 DHADHM Cc1cc2c[nH]nc2cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525917077 1019728205 /nfs/dbraw/zinc/72/82/05/1019728205.db2.gz ZDRQKLPFYWSXGA-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM CCC[C@@H]1SCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527455042 1019751757 /nfs/dbraw/zinc/75/17/57/1019751757.db2.gz OQJJLZXPJUAGBN-INIZCTEOSA-N -1 3 301.411 3.861 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccccc2CC1 ZINC000527456078 1019753646 /nfs/dbraw/zinc/75/36/46/1019753646.db2.gz HQOLVEPXQPYDRJ-UHFFFAOYSA-N -1 3 317.388 3.786 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccc(F)c2)CC1 ZINC000115710468 1019764102 /nfs/dbraw/zinc/76/41/02/1019764102.db2.gz DBUHDSTZDISLCU-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000290795248 1019900513 /nfs/dbraw/zinc/90/05/13/1019900513.db2.gz DWAWBUNHQLPPJG-AWEZNQCLSA-N -1 3 309.287 3.616 20 0 DHADHM COc1ccc2nc(-c3cnc4c(F)cccc4c3)[n-]c(=O)c2c1 ZINC000358835044 1019950565 /nfs/dbraw/zinc/95/05/65/1019950565.db2.gz VHADZJOBBFYOIX-UHFFFAOYSA-N -1 3 321.311 3.698 20 0 DHADHM O=C(NCCCCc1ccccc1)c1cc([O-])ccc1Cl ZINC000685575603 1019962593 /nfs/dbraw/zinc/96/25/93/1019962593.db2.gz RKNIDZUQKNXTCC-UHFFFAOYSA-N -1 3 303.789 3.798 20 0 DHADHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C2CCCCC2)cc1 ZINC000732216096 1020212905 /nfs/dbraw/zinc/21/29/05/1020212905.db2.gz QZZLSSZNSMGDOT-UHFFFAOYSA-N -1 3 320.414 3.534 20 0 DHADHM CC1(C)CCC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000477706557 1032887134 /nfs/dbraw/zinc/88/71/34/1032887134.db2.gz VUTCTKLRBBEQNI-JTQLQIEISA-N -1 3 312.207 3.920 20 0 DHADHM CC(C)(CCCc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000732956631 1020307152 /nfs/dbraw/zinc/30/71/52/1020307152.db2.gz JWXZWVNAPMJAFS-INIZCTEOSA-N -1 3 305.418 3.610 20 0 DHADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)c1ccc(Cl)cc1F ZINC000090988195 1020309132 /nfs/dbraw/zinc/30/91/32/1020309132.db2.gz RSGUUEWHOOHOFP-XFFZJAGNSA-N -1 3 301.704 3.975 20 0 DHADHM CSC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000281136018 1020327604 /nfs/dbraw/zinc/32/76/04/1020327604.db2.gz HGEDLFMGMCUDEM-UHFFFAOYSA-N -1 3 301.411 3.561 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(Cl)c1 ZINC000625091848 1020367294 /nfs/dbraw/zinc/36/72/94/1020367294.db2.gz NRGPOXRVFFVHHI-UHFFFAOYSA-N -1 3 312.756 3.742 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2ccsc2s1 ZINC000673674756 1020440008 /nfs/dbraw/zinc/44/00/08/1020440008.db2.gz GPOOVEBRYIXRFL-UHFFFAOYSA-N -1 3 315.326 3.844 20 0 DHADHM Cc1cccc(CO[N-]C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC001168634511 1020443484 /nfs/dbraw/zinc/44/34/84/1020443484.db2.gz SELBPCOHVMQCHZ-DZGCQCFKSA-N -1 3 304.434 3.790 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)c1 ZINC000055663353 1020455148 /nfs/dbraw/zinc/45/51/48/1020455148.db2.gz QVCDGXPHJPYIGR-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000685758234 1020459018 /nfs/dbraw/zinc/45/90/18/1020459018.db2.gz NFOOMAZPADDBAR-WBVHZDCISA-N -1 3 301.773 3.506 20 0 DHADHM CC[C@H](C)Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448780676 1020535659 /nfs/dbraw/zinc/53/56/59/1020535659.db2.gz FMNWKFVRUZFBMX-LBPRGKRZSA-N -1 3 317.360 3.890 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(Cl)c1Cl ZINC000153387348 1020635910 /nfs/dbraw/zinc/63/59/10/1020635910.db2.gz AZLQBLHELPQPLV-JTQLQIEISA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(Cl)c1Cl ZINC000153387348 1020635914 /nfs/dbraw/zinc/63/59/14/1020635914.db2.gz AZLQBLHELPQPLV-JTQLQIEISA-N -1 3 305.161 3.573 20 0 DHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccccc1Cl ZINC000186981590 1020641957 /nfs/dbraw/zinc/64/19/57/1020641957.db2.gz JTWDTXOLWIOBOA-CQSZACIVSA-N -1 3 317.772 3.729 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613026386 1020778359 /nfs/dbraw/zinc/77/83/59/1020778359.db2.gz FGWCHMZBHXTCKZ-IEBDPFPHSA-N -1 3 310.191 3.529 20 0 DHADHM O=C([N-]C1(c2cccc(F)c2)CC1)C(F)(F)c1ccc(F)cc1 ZINC000739633866 1020915630 /nfs/dbraw/zinc/91/56/30/1020915630.db2.gz WWMHGRFVLVQCQO-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c([O-])cccc1O ZINC000318610681 1020934250 /nfs/dbraw/zinc/93/42/50/1020934250.db2.gz DBAWPLDAXWBOIJ-UHFFFAOYSA-N -1 3 315.222 3.508 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2cnc(C(F)(F)F)cn2)c1F ZINC001214556055 1021032584 /nfs/dbraw/zinc/03/25/84/1021032584.db2.gz IGFXJLAAACYYIT-UHFFFAOYSA-N -1 3 307.634 3.737 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC2(CC2)C1 ZINC000888695522 1032953695 /nfs/dbraw/zinc/95/36/95/1032953695.db2.gz BYOXTKRCKKBMMZ-AWEZNQCLSA-N -1 3 305.393 3.693 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)cc(F)cc1F ZINC000176784472 1021162012 /nfs/dbraw/zinc/16/20/12/1021162012.db2.gz ICZKEYSYKWXZNV-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187234996 1021176998 /nfs/dbraw/zinc/17/69/98/1021176998.db2.gz VUCVLEPUEDEGLD-LLVKDONJSA-N -1 3 320.352 3.504 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCSc2ccccc2)n1 ZINC000776271485 1021196526 /nfs/dbraw/zinc/19/65/26/1021196526.db2.gz FKMBFOVHHBXBQX-UHFFFAOYSA-N -1 3 306.456 3.770 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000829555029 1021266986 /nfs/dbraw/zinc/26/69/86/1021266986.db2.gz XAVWAWKBUZUQQM-AWEZNQCLSA-N -1 3 313.422 3.571 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ncccc2F)c([O-])c1 ZINC000647640037 1021308025 /nfs/dbraw/zinc/30/80/25/1021308025.db2.gz FSTDAAVLIVPCOB-LLVKDONJSA-N -1 3 302.349 3.541 20 0 DHADHM O=C(COc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1[O-] ZINC000069693330 1021323462 /nfs/dbraw/zinc/32/34/62/1021323462.db2.gz WCTGCIGQAKSGBW-UHFFFAOYSA-N -1 3 317.772 3.552 20 0 DHADHM COc1cccc(Cl)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129443504 1021487962 /nfs/dbraw/zinc/48/79/62/1021487962.db2.gz BDLGORCDDQLOGC-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1Br ZINC000129631923 1021524225 /nfs/dbraw/zinc/52/42/25/1021524225.db2.gz KMATYXBUMXQYSW-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1CC1CCCCC1 ZINC000182256222 1021687869 /nfs/dbraw/zinc/68/78/69/1021687869.db2.gz JSJBYWCZQPRGIC-AWEZNQCLSA-N -1 3 303.402 3.673 20 0 DHADHM Cc1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)cc1 ZINC000163093674 1021761131 /nfs/dbraw/zinc/76/11/31/1021761131.db2.gz KKJUVKKJQNXICX-UHFFFAOYSA-N -1 3 322.397 3.539 20 0 DHADHM [O-]c1ccc(F)c(CNc2cnn(Cc3ccccc3)c2)c1F ZINC000556833877 1021887254 /nfs/dbraw/zinc/88/72/54/1021887254.db2.gz RBJDXXRVQLYIRW-UHFFFAOYSA-N -1 3 315.323 3.527 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000415883428 1021993627 /nfs/dbraw/zinc/99/36/27/1021993627.db2.gz NMRIDFGSSIEBGL-GFCCVEGCSA-N -1 3 318.398 3.809 20 0 DHADHM CCN(C)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153485398 1022077015 /nfs/dbraw/zinc/07/70/15/1022077015.db2.gz DWKDXIJATUKSRX-MRXNPFEDSA-N -1 3 318.804 3.677 20 0 DHADHM CCC(CC)CCCN(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000620198395 1022081108 /nfs/dbraw/zinc/08/11/08/1022081108.db2.gz FWFMZKAPXMUEFX-UHFFFAOYSA-N -1 3 320.433 3.639 20 0 DHADHM O=C(c1nnc2ccccc2c1[O-])N(c1ccccc1)C1CCC1 ZINC001168808492 1022140871 /nfs/dbraw/zinc/14/08/71/1022140871.db2.gz KAINXJGFXPPKCU-UHFFFAOYSA-N -1 3 319.364 3.535 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)c([O-])c1 ZINC000620573209 1022193246 /nfs/dbraw/zinc/19/32/46/1022193246.db2.gz GLEFLTQKJPOUCY-CQSZACIVSA-N -1 3 303.402 3.586 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000416305752 1022244056 /nfs/dbraw/zinc/24/40/56/1022244056.db2.gz JCXMFNBPQDVCDN-CABCVRRESA-N -1 3 305.418 3.688 20 0 DHADHM COc1ccc2cc(NC(=O)c3cccc(OC)c3[O-])ccc2c1 ZINC000804306326 1022249447 /nfs/dbraw/zinc/24/94/47/1022249447.db2.gz YIVSDJARNKLGNS-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM CC[C@H](C)C(=O)Cc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000416410423 1022314031 /nfs/dbraw/zinc/31/40/31/1022314031.db2.gz FWVVMQQSXUBVTD-LURJTMIESA-N -1 3 318.320 3.573 20 0 DHADHM CCOC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)cnc1C ZINC001212589447 1022362088 /nfs/dbraw/zinc/36/20/88/1022362088.db2.gz LUOZCVIEJUJYQB-UHFFFAOYSA-N -1 3 306.749 3.669 20 0 DHADHM Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)n1 ZINC001169402065 1022383881 /nfs/dbraw/zinc/38/38/81/1022383881.db2.gz JSYMOPNIUIMXHC-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCOC(=O)CCc1cncc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212590571 1022423101 /nfs/dbraw/zinc/42/31/01/1022423101.db2.gz SJKQAIPSYRTMDN-UHFFFAOYSA-N -1 3 320.776 3.680 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)CCc2ccccc2C)c1 ZINC000615475457 1022484748 /nfs/dbraw/zinc/48/47/48/1022484748.db2.gz SWBASNXDSJHWCG-UHFFFAOYSA-N -1 3 315.438 3.737 20 0 DHADHM COC(=O)c1ccc(OC)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593426 1022488542 /nfs/dbraw/zinc/48/85/42/1022488542.db2.gz PYWXVIYBVZPWOU-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cccnc1CNc1nc(Cl)cc(-c2ccccc2)n1 ZINC001169727358 1022513448 /nfs/dbraw/zinc/51/34/48/1022513448.db2.gz YBIWLCORUZLSND-UHFFFAOYSA-N -1 3 312.760 3.510 20 0 DHADHM CC(=O)COC(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593948 1022515714 /nfs/dbraw/zinc/51/57/14/1022515714.db2.gz NGIKFOSEWAEJLL-UHFFFAOYSA-N -1 3 319.744 3.535 20 0 DHADHM CCc1c(Cl)nc(C(C)(C)C)nc1NCc1ncccc1[O-] ZINC001169731844 1022526038 /nfs/dbraw/zinc/52/60/38/1022526038.db2.gz RNSQEOHRJGKUCJ-UHFFFAOYSA-N -1 3 320.824 3.703 20 0 DHADHM COc1cccc(C(=O)N(C)c2ccc(C)c(Cl)c2)c1[O-] ZINC000113069589 1022589546 /nfs/dbraw/zinc/58/95/46/1022589546.db2.gz FUENWFQETWEWKF-UHFFFAOYSA-N -1 3 305.761 3.639 20 0 DHADHM CC[C@H](C)[C@@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000780390892 1022727449 /nfs/dbraw/zinc/72/74/49/1022727449.db2.gz JVDIVLJTXGIKBK-WCQYABFASA-N -1 3 314.385 3.745 20 0 DHADHM COc1cccc([C@H](C)CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184155562 1022748870 /nfs/dbraw/zinc/74/88/70/1022748870.db2.gz VDCCKUUBGLSIQI-CYBMUJFWSA-N -1 3 317.360 3.576 20 0 DHADHM CO[C@H](CNC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000856153989 1022758500 /nfs/dbraw/zinc/75/85/00/1022758500.db2.gz FOWRVLFFQIERPC-OAHLLOKOSA-N -1 3 319.426 3.542 20 0 DHADHM COc1cc(C)ccc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000417560136 1022777456 /nfs/dbraw/zinc/77/74/56/1022777456.db2.gz JQYWLDCBBZIOIX-KSSFIOAISA-N -1 3 313.397 3.555 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cs1 ZINC000417573690 1022787523 /nfs/dbraw/zinc/78/75/23/1022787523.db2.gz QMVMQXQTSALNPD-AWEZNQCLSA-N -1 3 309.818 3.934 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000617096474 1022844771 /nfs/dbraw/zinc/84/47/71/1022844771.db2.gz WDLOHNUEKLGRIT-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621757744 1022858906 /nfs/dbraw/zinc/85/89/06/1022858906.db2.gz NQPNAHVEJLRVTF-JTQLQIEISA-N -1 3 324.302 3.639 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000132980632 1033087790 /nfs/dbraw/zinc/08/77/90/1033087790.db2.gz TZHOSBHICNVFPV-MNOVXSKESA-N -1 3 319.298 3.516 20 0 DHADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621893662 1022921760 /nfs/dbraw/zinc/92/17/60/1022921760.db2.gz QQNGJUFJKZJUBI-VHSXEESVSA-N -1 3 301.308 3.672 20 0 DHADHM O=C(C=C1CCCCC1)NCc1ccc([O-])c(Br)c1 ZINC000768292972 1022941192 /nfs/dbraw/zinc/94/11/92/1022941192.db2.gz PKUUYDQGSDYNTH-UHFFFAOYSA-N -1 3 324.218 3.661 20 0 DHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621974048 1022979368 /nfs/dbraw/zinc/97/93/68/1022979368.db2.gz HWNFDPROFCUVSW-JTQLQIEISA-N -1 3 313.319 3.816 20 0 DHADHM O=C(OCc1nc(C2CCCCC2)cs1)c1cncc([O-])c1 ZINC000768698805 1023009989 /nfs/dbraw/zinc/00/99/89/1023009989.db2.gz RXTFWJGIAWGVTM-UHFFFAOYSA-N -1 3 318.398 3.648 20 0 DHADHM Cc1ccc2c(c1)CCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000857480977 1023018466 /nfs/dbraw/zinc/01/84/66/1023018466.db2.gz SJLAMMMAQSOGDY-UHFFFAOYSA-N -1 3 307.393 3.782 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000089400002 1023082634 /nfs/dbraw/zinc/08/26/34/1023082634.db2.gz PAEMEDUAIKFAOU-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM CC(C)(C)Sc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000181411041 1023084349 /nfs/dbraw/zinc/08/43/49/1023084349.db2.gz JRHIWSLPKYQSPN-ZDUSSCGKSA-N -1 3 311.410 3.857 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)cc1[O-] ZINC000412350355 1023100739 /nfs/dbraw/zinc/10/07/39/1023100739.db2.gz XNRIGCHIUKEVIO-SCLBCKFNSA-N -1 3 323.392 3.818 20 0 DHADHM CC(C)(CC(=O)COC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000837370530 1023113312 /nfs/dbraw/zinc/11/33/12/1023113312.db2.gz UAHXHFNYCJNXPK-UHFFFAOYSA-N -1 3 305.399 3.782 20 0 DHADHM CC1CCC(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622327336 1023116847 /nfs/dbraw/zinc/11/68/47/1023116847.db2.gz ZNRSSXCUAYFNFW-UHFFFAOYSA-N -1 3 315.335 3.967 20 0 DHADHM Cc1ccncc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622355834 1023125970 /nfs/dbraw/zinc/12/59/70/1023125970.db2.gz RAKKQJLAMFIEGU-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM CC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCC1 ZINC000622362045 1023128069 /nfs/dbraw/zinc/12/80/69/1023128069.db2.gz GOMRWIKXMNYRFE-UHFFFAOYSA-N -1 3 301.308 3.721 20 0 DHADHM CC(C)(C)c1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162767741 1023204779 /nfs/dbraw/zinc/20/47/79/1023204779.db2.gz GBZRCHZIPRWYGK-UHFFFAOYSA-N -1 3 317.351 3.917 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](C)S1 ZINC001137111305 1033128663 /nfs/dbraw/zinc/12/86/63/1033128663.db2.gz JSYFHLHDFSEJKI-AOOOYVTPSA-N -1 3 307.440 3.573 20 0 DHADHM Cc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c(=O)[nH]1 ZINC000771139414 1023402799 /nfs/dbraw/zinc/40/27/99/1023402799.db2.gz CGIXCBPIRKBGGA-UHFFFAOYSA-N -1 3 311.341 3.642 20 0 DHADHM O=C(O[C@H]1CCCc2ccccc2C1=O)c1cc2occc2[n-]1 ZINC000786030899 1023652814 /nfs/dbraw/zinc/65/28/14/1023652814.db2.gz HYTNIUQVUPDMGX-HNNXBMFYSA-N -1 3 309.321 3.506 20 0 DHADHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786031482 1023653016 /nfs/dbraw/zinc/65/30/16/1023653016.db2.gz RHHWQLZTGHZPOB-UHFFFAOYSA-N -1 3 322.320 3.590 20 0 DHADHM CN(Cc1ccc(Cl)cc1Cl)CC1(CC(=O)[O-])CC1 ZINC000652374673 1023824158 /nfs/dbraw/zinc/82/41/58/1023824158.db2.gz YBCGXZJZIANGIX-UHFFFAOYSA-N -1 3 302.201 3.680 20 0 DHADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000049525189 1023856020 /nfs/dbraw/zinc/85/60/20/1023856020.db2.gz KKUUJNSRHMYBDP-SKDRFNHKSA-N -1 3 322.257 3.850 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000788303395 1023868188 /nfs/dbraw/zinc/86/81/88/1023868188.db2.gz DGSLGIGZNNGZDQ-VXGBXAGGSA-N -1 3 301.411 3.869 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1C1CC1 ZINC000652514889 1023904150 /nfs/dbraw/zinc/90/41/50/1023904150.db2.gz GIDQFQMKCQMSJA-WDEREUQCSA-N -1 3 314.212 3.536 20 0 DHADHM CC/C(=C/C(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000129775966 1024080280 /nfs/dbraw/zinc/08/02/80/1024080280.db2.gz JAEVGWUPDILZDO-QXMHVHEDSA-N -1 3 315.344 3.972 20 0 DHADHM O=c1ccnc(C=Cc2ccc(-c3cccc(F)c3F)o2)[n-]1 ZINC000790220435 1024246564 /nfs/dbraw/zinc/24/65/64/1024246564.db2.gz SRPANJUEIUXNHN-ALCCZGGFSA-N -1 3 300.264 3.891 20 0 DHADHM CC(C)c1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])on1 ZINC000603967619 1024359510 /nfs/dbraw/zinc/35/95/10/1024359510.db2.gz UCGVCTYGGCNCEP-UHFFFAOYSA-N -1 3 302.374 3.557 20 0 DHADHM Cc1nc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2o1 ZINC000350657801 1024375653 /nfs/dbraw/zinc/37/56/53/1024375653.db2.gz SGLNROPRSVSGPF-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM O=S(=O)([N-]CCC1=CCCCC1)c1ccc(Cl)cc1F ZINC000007376285 1024411375 /nfs/dbraw/zinc/41/13/75/1024411375.db2.gz ICTLUOSPUKQFLL-UHFFFAOYSA-N -1 3 317.813 3.648 20 0 DHADHM CO[C@@]1(C)C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1(C)C ZINC000791375504 1024478667 /nfs/dbraw/zinc/47/86/67/1024478667.db2.gz PRZWYRRWAYOMPO-PBHICJAKSA-N -1 3 319.426 3.540 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c([O-])c1 ZINC000271268473 1024479843 /nfs/dbraw/zinc/47/98/43/1024479843.db2.gz LWQNOAGAOYYCRD-OAHLLOKOSA-N -1 3 313.401 3.606 20 0 DHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339116389 1024569124 /nfs/dbraw/zinc/56/91/24/1024569124.db2.gz NWCZGVNFKGBUJK-CMDGGOBGSA-N -1 3 324.359 3.603 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283209864 1024608704 /nfs/dbraw/zinc/60/87/04/1024608704.db2.gz NJRNCUSJVQSGIN-CYBMUJFWSA-N -1 3 313.319 3.587 20 0 DHADHM O=C(Nc1c([O-])cccc1C(F)(F)F)NC1CCCCC1 ZINC001202616473 1024614406 /nfs/dbraw/zinc/61/44/06/1024614406.db2.gz HVXRXUNKCAMWPZ-UHFFFAOYSA-N -1 3 302.296 3.865 20 0 DHADHM O=C(NC[C@@H]1Cc2ccccc21)c1cc([O-])c2ccccc2c1 ZINC000792063672 1024619714 /nfs/dbraw/zinc/61/97/14/1024619714.db2.gz OVJYONCLIUCXAN-INIZCTEOSA-N -1 3 303.361 3.615 20 0 DHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCCC(F)(F)F ZINC000792606540 1024734079 /nfs/dbraw/zinc/73/40/79/1024734079.db2.gz IMNTUUJURYBGIZ-NWDGAFQWSA-N -1 3 315.335 3.976 20 0 DHADHM COc1ccc2c(c1)C[C@H](Nc1ccc3c(c1)[N-]C(=S)C3)CC2 ZINC001170417046 1024777680 /nfs/dbraw/zinc/77/76/80/1024777680.db2.gz LMSYTBVFDFHXPR-OAHLLOKOSA-N -1 3 324.449 3.960 20 0 DHADHM CN(Cc1nc2ccccc2s1)Cc1c(F)ccc([O-])c1F ZINC000350314344 1024806713 /nfs/dbraw/zinc/80/67/13/1024806713.db2.gz LMBGHJOLUAKWOU-UHFFFAOYSA-N -1 3 320.364 3.912 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)o1 ZINC000350627628 1024834721 /nfs/dbraw/zinc/83/47/21/1024834721.db2.gz RQKXEIFYHBHBSZ-INIZCTEOSA-N -1 3 319.426 3.798 20 0 DHADHM Cc1nc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2o1 ZINC000350658561 1024836752 /nfs/dbraw/zinc/83/67/52/1024836752.db2.gz WYVAYERPCCSKSV-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM CCc1cc(=O)[n-]c(CNC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000119961606 1025005863 /nfs/dbraw/zinc/00/58/63/1025005863.db2.gz KDZIDQCFNXEJTG-UHFFFAOYSA-N -1 3 317.820 3.567 20 0 DHADHM O=C(CC1(CSc2ccccc2)CC1)Nc1ncccc1[O-] ZINC000353559776 1025127825 /nfs/dbraw/zinc/12/78/25/1025127825.db2.gz KTGUVLXNNWDVOS-UHFFFAOYSA-N -1 3 314.410 3.688 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)(F)Cc1ccccc1 ZINC000793705289 1025153368 /nfs/dbraw/zinc/15/33/68/1025153368.db2.gz OMPLIHJDRONLHQ-UHFFFAOYSA-N -1 3 311.715 3.862 20 0 DHADHM CC(C)CO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000135333113 1025214078 /nfs/dbraw/zinc/21/40/78/1025214078.db2.gz WJWQURKYXIVFAA-UHFFFAOYSA-N -1 3 301.839 3.916 20 0 DHADHM CCc1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)o1 ZINC000666586891 1025214807 /nfs/dbraw/zinc/21/48/07/1025214807.db2.gz ZQTPSSCPRSWLOF-UHFFFAOYSA-N -1 3 313.397 3.920 20 0 DHADHM CSc1ccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)o1 ZINC000112238684 1025240294 /nfs/dbraw/zinc/24/02/94/1025240294.db2.gz SNQHXXWUWWEBHT-UHFFFAOYSA-N -1 3 323.424 3.834 20 0 DHADHM CC1CCC(C)(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000353791121 1025249273 /nfs/dbraw/zinc/24/92/73/1025249273.db2.gz QXCRNSLFFIIPSB-UHFFFAOYSA-N -1 3 308.397 3.547 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1Cl)[N-]OC/C=C\Cl ZINC000794305487 1025251638 /nfs/dbraw/zinc/25/16/38/1025251638.db2.gz MLGFGSYQLANVLG-KTAJNNJTSA-N -1 3 324.591 3.563 20 0 DHADHM CC[C@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719563 1025253776 /nfs/dbraw/zinc/25/37/76/1025253776.db2.gz XYGNXUKZTIJSKL-JTQLQIEISA-N -1 3 314.223 3.625 20 0 DHADHM CCOc1ccc(-c2nc3ccc(OC)cc3c(=O)[n-]2)cc1F ZINC000447134890 1025502005 /nfs/dbraw/zinc/50/20/05/1025502005.db2.gz YPCXUPXZWYWHCK-UHFFFAOYSA-N -1 3 314.316 3.549 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCSC[C@H]1c1ccccc1 ZINC000893749164 1025543463 /nfs/dbraw/zinc/54/34/63/1025543463.db2.gz IIWGGIWHFAMYGZ-INIZCTEOSA-N -1 3 313.422 3.713 20 0 DHADHM [O-]c1cccnc1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000355288408 1025668416 /nfs/dbraw/zinc/66/84/16/1025668416.db2.gz YZCDZZDYFJSFSG-UHFFFAOYSA-N -1 3 316.710 3.749 20 0 DHADHM CCC[C@]1(COC)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000614109966 1025730183 /nfs/dbraw/zinc/73/01/83/1025730183.db2.gz OILACESRVITEJF-QGZVFWFLSA-N -1 3 323.458 3.535 20 0 DHADHM [O-]c1c(F)cc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC000093335757 1025741217 /nfs/dbraw/zinc/74/12/17/1025741217.db2.gz JFNRYZFWVPKQRT-ZDUSSCGKSA-N -1 3 307.315 3.799 20 0 DHADHM Cc1nc(C)c(Cc2nc(-c3ccc(C(C)C)cc3)no2)c(=O)[n-]1 ZINC000355502102 1025746848 /nfs/dbraw/zinc/74/68/48/1025746848.db2.gz BPOVDLKTEZUIPN-UHFFFAOYSA-N -1 3 324.384 3.563 20 0 DHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(F)s1 ZINC001130674349 1025928143 /nfs/dbraw/zinc/92/81/43/1025928143.db2.gz CFWZKCSUXIYHDW-UHFFFAOYSA-N -1 3 319.386 3.582 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000347375534 1025931016 /nfs/dbraw/zinc/93/10/16/1025931016.db2.gz KVPCWEBNYJKSEH-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2cccc(Cl)c2[O-])c1 ZINC001211976351 1026047774 /nfs/dbraw/zinc/04/77/74/1026047774.db2.gz BRZKGCVVJVIRSO-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412170593 1026152388 /nfs/dbraw/zinc/15/23/88/1026152388.db2.gz SXFIDSHAMHIHJJ-MLGOLLRUSA-N -1 3 303.402 3.636 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=C(C)c2ccc(F)cc2)c1[O-] ZINC000808189257 1026222695 /nfs/dbraw/zinc/22/26/95/1026222695.db2.gz NNHYOMPSRKORBL-KHPPLWFESA-N -1 3 313.328 3.776 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1[O-] ZINC000808187922 1026223566 /nfs/dbraw/zinc/22/35/66/1026223566.db2.gz MPKLTKXMYMLOMC-JXMROGBWSA-N -1 3 315.756 3.900 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)Cc1cccs1 ZINC000289910226 1026228557 /nfs/dbraw/zinc/22/85/57/1026228557.db2.gz AKAAUDINQBOCNH-SNVBAGLBSA-N -1 3 309.818 3.716 20 0 DHADHM O=C([N-]c1ccnc(Cl)c1F)c1csc(-c2ccco2)n1 ZINC001275518437 1026282211 /nfs/dbraw/zinc/28/22/11/1026282211.db2.gz KZBXDCHUPTXBAL-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(Cl)cc1 ZINC000729263599 1026405200 /nfs/dbraw/zinc/40/52/00/1026405200.db2.gz ADWHWJYJBWHHLX-UHFFFAOYSA-N -1 3 303.789 3.911 20 0 DHADHM Cc1c(C)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1CO ZINC001204950110 1026418979 /nfs/dbraw/zinc/41/89/79/1026418979.db2.gz OVDHAWXFVBTHDK-UHFFFAOYSA-N -1 3 314.332 3.560 20 0 DHADHM CC[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000647801311 1026447248 /nfs/dbraw/zinc/44/72/48/1026447248.db2.gz JTFOAHCZDJNVLX-GFCCVEGCSA-N -1 3 309.369 3.791 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)c2ncccc12 ZINC000513627040 1026549403 /nfs/dbraw/zinc/54/94/03/1026549403.db2.gz JNFRQTRJZUDARW-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(C(F)(F)F)c1 ZINC000809621523 1026566705 /nfs/dbraw/zinc/56/67/05/1026566705.db2.gz HWJYPJKTUMAFAN-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CC1CC1)CC1CCC1 ZINC000280197754 1026609044 /nfs/dbraw/zinc/60/90/44/1026609044.db2.gz WTCBELHPOJINJQ-UHFFFAOYSA-N -1 3 310.397 3.593 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])C1(F)CCCCC1 ZINC000810480825 1026771006 /nfs/dbraw/zinc/77/10/06/1026771006.db2.gz JJPOYVQFDUSUDW-UHFFFAOYSA-N -1 3 316.170 3.766 20 0 DHADHM Cc1nccn1C[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810612055 1026807542 /nfs/dbraw/zinc/80/75/42/1026807542.db2.gz NKLMLFLVWMSVSH-QMMMGPOBSA-N -1 3 323.805 3.633 20 0 DHADHM Cc1cc(COC(=O)c2cc3cc(Cl)sc3[n-]2)nc(C)n1 ZINC000810672180 1026822867 /nfs/dbraw/zinc/82/28/67/1026822867.db2.gz SPBBNOUXELRYTR-UHFFFAOYSA-N -1 3 321.789 3.647 20 0 DHADHM O=C(OCCc1nccs1)c1cc2cc(Cl)sc2[n-]1 ZINC000810787933 1026846695 /nfs/dbraw/zinc/84/66/95/1026846695.db2.gz IOCWAZZEHMPZOO-UHFFFAOYSA-N -1 3 312.803 3.739 20 0 DHADHM COc1ccncc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810879960 1026872439 /nfs/dbraw/zinc/87/24/39/1026872439.db2.gz NVQKYNMBTXEPQA-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H](CC(F)(F)F)C2)c1F ZINC000421382273 1026973833 /nfs/dbraw/zinc/97/38/33/1026973833.db2.gz BVHZHJZETXROAB-SECBINFHSA-N -1 3 309.278 3.835 20 0 DHADHM Cc1cncc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811396744 1026992061 /nfs/dbraw/zinc/99/20/61/1026992061.db2.gz SACKQKFUUHFXRD-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1[O-] ZINC000572517710 1027210413 /nfs/dbraw/zinc/21/04/13/1027210413.db2.gz HBSDYXHYOVYZNU-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM CCOC(=O)/C(=C/c1ccc([O-])c(F)c1)c1ccncc1Cl ZINC000812243801 1027222722 /nfs/dbraw/zinc/22/27/22/1027222722.db2.gz AFQGOFJHDUJTOO-KPKJPENVSA-N -1 3 321.735 3.683 20 0 DHADHM CCc1cccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c1[O-] ZINC000572867268 1027238625 /nfs/dbraw/zinc/23/86/25/1027238625.db2.gz KJRSWRTYGVVBPJ-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OC/C=C/Cl)c(C)c1 ZINC000812403639 1027262755 /nfs/dbraw/zinc/26/27/55/1027262755.db2.gz UZLZPFPUIQCVNM-VMPITWQZSA-N -1 3 323.820 3.765 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OC/C=C/Cl ZINC000812404984 1027263242 /nfs/dbraw/zinc/26/32/42/1027263242.db2.gz NRRCVWDPBRFSOI-XCVCLJGOSA-N -1 3 323.751 3.819 20 0 DHADHM CON(Cc1ccccc1Cl)C(=O)c1ccc(C)c(C)c1[O-] ZINC000812428831 1027279736 /nfs/dbraw/zinc/27/97/36/1027279736.db2.gz ATRMRKMRUHFPIP-UHFFFAOYSA-N -1 3 319.788 3.866 20 0 DHADHM C[C@H](CC(=O)[N-]OC1CCC1)c1ccc(Br)cc1 ZINC000812794503 1027423026 /nfs/dbraw/zinc/42/30/26/1027423026.db2.gz GXJFSXFGXMGLQZ-SNVBAGLBSA-N -1 3 312.207 3.543 20 0 DHADHM CCCCC[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000362958902 1027467593 /nfs/dbraw/zinc/46/75/93/1027467593.db2.gz TYOMVBWEHFITHH-GFCCVEGCSA-N -1 3 305.447 3.942 20 0 DHADHM CS[C@@H](C)CC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296042435 1027525480 /nfs/dbraw/zinc/52/54/80/1027525480.db2.gz MLYATDOTYAEHAW-ZETCQYMHSA-N -1 3 318.236 3.543 20 0 DHADHM Fc1ccc([C@@H]([N-]c2nnc(C(F)F)o2)C2CC2)cc1Cl ZINC000562701694 1027576926 /nfs/dbraw/zinc/57/69/26/1027576926.db2.gz JKRNHMHBFIEHKC-JTQLQIEISA-N -1 3 317.698 4.363 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)C(C)(F)F ZINC000296227414 1027578620 /nfs/dbraw/zinc/57/86/20/1027578620.db2.gz WSCSJSUUVNWGSY-SSDOTTSWSA-N -1 3 322.149 3.693 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1c(Cl)cccc1Cl)C2 ZINC000296480245 1027649498 /nfs/dbraw/zinc/64/94/98/1027649498.db2.gz QBMVGIFWRMUKBS-BONVTDFDSA-N -1 3 314.212 3.680 20 0 DHADHM O=C(OC/C=C\Br)c1cc2cc(Cl)sc2[n-]1 ZINC000813930236 1027768777 /nfs/dbraw/zinc/76/87/77/1027768777.db2.gz FYUJWTZQEYRBHR-UPHRSURJSA-N -1 3 320.595 3.948 20 0 DHADHM O=C([N-][C@@H]1CCc2cccc3cccc1c32)C(F)(F)C(F)F ZINC001134132601 1027909637 /nfs/dbraw/zinc/90/96/37/1027909637.db2.gz IZSIGWHHZAGLEE-GFCCVEGCSA-N -1 3 311.278 3.844 20 0 DHADHM Cc1cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c(C)s1 ZINC000448676488 1027969396 /nfs/dbraw/zinc/96/93/96/1027969396.db2.gz RTROCVQBZQURHC-JTQLQIEISA-N -1 3 307.390 3.630 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448691845 1027971615 /nfs/dbraw/zinc/97/16/15/1027971615.db2.gz UEALBWYKSUXPEB-AWEZNQCLSA-N -1 3 319.401 3.671 20 0 DHADHM CCN(Cc1occc1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000578199458 1028088364 /nfs/dbraw/zinc/08/83/64/1028088364.db2.gz HTOZYXVSVAWIPX-LBPRGKRZSA-N -1 3 303.358 3.570 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000367065627 1028130730 /nfs/dbraw/zinc/13/07/30/1028130730.db2.gz JHEPWYAQFSYOMD-LBPRGKRZSA-N -1 3 313.401 3.922 20 0 DHADHM Cc1ccc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)c([O-])c1 ZINC000528266863 1028238565 /nfs/dbraw/zinc/23/85/65/1028238565.db2.gz OFPNIGRNISUMFI-UHFFFAOYSA-N -1 3 309.369 3.780 20 0 DHADHM Cc1nc2ccccc2nc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000579092171 1028321252 /nfs/dbraw/zinc/32/12/52/1028321252.db2.gz PBEBTCMKYSEYES-UHFFFAOYSA-N -1 3 324.409 3.604 20 0 DHADHM COC(=O)c1cc(C(=O)Oc2ccccc2-c2ccccc2)c[n-]1 ZINC000815905514 1028644384 /nfs/dbraw/zinc/64/43/84/1028644384.db2.gz 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3.804 20 0 DHADHM C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1cc([O-])cc(F)c1 ZINC000926891149 1030972857 /nfs/dbraw/zinc/97/28/57/1030972857.db2.gz XTGACBGXUIDBQT-GLZQIGESSA-N -1 3 305.324 3.654 20 0 DHADHM O=c1nc(CN2CCC[C@H]3CCCC[C@H]32)[n-]c2ccsc21 ZINC000253537806 1030975314 /nfs/dbraw/zinc/97/53/14/1030975314.db2.gz BRBPLIDFHANVBT-DGCLKSJQSA-N -1 3 303.431 3.552 20 0 DHADHM C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc([O-])c1F ZINC000926920811 1030994453 /nfs/dbraw/zinc/99/44/53/1030994453.db2.gz SCAVJQAEBDTQIJ-NWDGAFQWSA-N -1 3 301.361 3.706 20 0 DHADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000359836504 1031156579 /nfs/dbraw/zinc/15/65/79/1031156579.db2.gz AQJDLIMKLGTBBF-VXGBXAGGSA-N -1 3 302.378 3.528 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCCCC(F)(F)F)o1 ZINC000871210250 1031160467 /nfs/dbraw/zinc/16/04/67/1031160467.db2.gz BFEAUWORSCPKQE-PWSUYJOCSA-N -1 3 319.323 3.726 20 0 DHADHM O=C(CCc1ccccc1Cl)[N-]OCCCC(F)(F)F ZINC000871209928 1031160904 /nfs/dbraw/zinc/16/09/04/1031160904.db2.gz LYXPNYVDOUKTKB-UHFFFAOYSA-N -1 3 309.715 3.663 20 0 DHADHM C[C@H](CCC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871213140 1031162618 /nfs/dbraw/zinc/16/26/18/1031162618.db2.gz KDWLRJKKXNEDBJ-GFCCVEGCSA-N -1 3 303.324 3.961 20 0 DHADHM O=C([N-]OCCCC(F)(F)F)C1(Cc2ccccc2)CCC1 ZINC000871212929 1031163250 /nfs/dbraw/zinc/16/32/50/1031163250.db2.gz FVCYABMCSWARRB-UHFFFAOYSA-N -1 3 315.335 3.790 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)c([O-])c1 ZINC000871326886 1031196419 /nfs/dbraw/zinc/19/64/19/1031196419.db2.gz KXJQDAJVDOIEIC-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(C(F)(F)F)co2)n1 ZINC000871700863 1031276584 /nfs/dbraw/zinc/27/65/84/1031276584.db2.gz UKRUXCNRDBAFNS-UHFFFAOYSA-N -1 3 304.293 3.536 20 0 DHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928789835 1031385108 /nfs/dbraw/zinc/38/51/08/1031385108.db2.gz RUVULDZDNUVONZ-SNVBAGLBSA-N -1 3 323.418 3.831 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2cccc([O-])c2F)ccc1OC ZINC000872035378 1031418743 /nfs/dbraw/zinc/41/87/43/1031418743.db2.gz ODSACKGYYVODJI-LBPRGKRZSA-N -1 3 319.376 3.789 20 0 DHADHM COCc1cc(CN[C@@H](C)c2cccc([O-])c2F)ccc1F ZINC000872038506 1031422159 /nfs/dbraw/zinc/42/21/59/1031422159.db2.gz OEEBBEWGBAZAHZ-NSHDSACASA-N -1 3 307.340 3.668 20 0 DHADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc([O-])c1F ZINC000872056352 1031445422 /nfs/dbraw/zinc/44/54/22/1031445422.db2.gz QPYADFWQVKSLDH-CYBMUJFWSA-N -1 3 316.376 3.541 20 0 DHADHM C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cccc([O-])c1F ZINC000872063685 1031457737 /nfs/dbraw/zinc/45/77/37/1031457737.db2.gz RYCLFKJZKWIILR-GFCCVEGCSA-N -1 3 303.377 3.610 20 0 DHADHM CCc1nc(SCc2cc(=O)[n-]c(C3CC3)n2)sc1C ZINC000845326367 1031536092 /nfs/dbraw/zinc/53/60/92/1031536092.db2.gz MKHQBXWAGLRXMP-UHFFFAOYSA-N -1 3 307.444 3.679 20 0 DHADHM O=C([O-])c1csc(CN2CCC(c3ccsc3)CC2)c1 ZINC000872158331 1031541032 /nfs/dbraw/zinc/54/10/32/1031541032.db2.gz AKNSYBAQMXEDMG-UHFFFAOYSA-N -1 3 307.440 3.887 20 0 DHADHM CCc1cccc(CC)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631473 1031780860 /nfs/dbraw/zinc/78/08/60/1031780860.db2.gz RHACPRHGTFFVKM-UHFFFAOYSA-N -1 3 301.361 3.837 20 0 DHADHM CN(Cc1cc(F)c([O-])cc1F)Cc1cccc2cccnc21 ZINC001144666147 1031800861 /nfs/dbraw/zinc/80/08/61/1031800861.db2.gz HGWRILQOUVBFQT-UHFFFAOYSA-N -1 3 314.335 3.851 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC001144664557 1031802398 /nfs/dbraw/zinc/80/23/98/1031802398.db2.gz JKQXKIJNKGXZNB-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000626404493 1031864667 /nfs/dbraw/zinc/86/46/67/1031864667.db2.gz GCQRXCKSKSWKEC-MNOVXSKESA-N -1 3 301.308 3.504 20 0 DHADHM CC[C@H]1COC(C)(C)CN1C(=O)c1cc2sccc2c([O-])c1 ZINC000846375288 1031969209 /nfs/dbraw/zinc/96/92/09/1031969209.db2.gz OHBKALWVBVNAQM-LBPRGKRZSA-N -1 3 319.426 3.637 20 0 DHADHM CC(C)COc1ccc(CC(=O)[N-]OC2CCCCC2)cc1 ZINC000777961317 1032046485 /nfs/dbraw/zinc/04/64/85/1032046485.db2.gz NIOVIUSBIQQWHU-UHFFFAOYSA-N -1 3 305.418 3.644 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]OC1CCCCC1 ZINC000777963749 1032047385 /nfs/dbraw/zinc/04/73/85/1032047385.db2.gz YTIYNERFXANWPO-HNNXBMFYSA-N -1 3 317.429 3.886 20 0 DHADHM O=C(Cc1ccc(OC(F)(F)F)cc1)[N-]OC1CCCCC1 ZINC000777961880 1032048101 /nfs/dbraw/zinc/04/81/01/1032048101.db2.gz OIZGBBFXRCLISF-UHFFFAOYSA-N -1 3 317.307 3.508 20 0 DHADHM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ncccc1[O-] ZINC000478483069 1033488466 /nfs/dbraw/zinc/48/84/66/1033488466.db2.gz SKHZLWQSOGUTCY-UHFFFAOYSA-N -1 3 313.401 3.806 20 0 DHADHM O=C(CC1CCC(F)(F)CC1)[N-]OCc1ccc(F)cc1 ZINC000860805744 1033497807 /nfs/dbraw/zinc/49/78/07/1033497807.db2.gz XELRWQBETYWDBR-UHFFFAOYSA-N -1 3 301.308 3.589 20 0 DHADHM O=C(CCc1ccc(F)cc1F)Nc1c([O-])cccc1Cl ZINC000552782589 1033508728 /nfs/dbraw/zinc/50/87/28/1033508728.db2.gz VFISIKKZMIIUTK-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM COc1ccc2cccc(-c3noc(-c4cncc([O-])c4)n3)c2c1 ZINC001212709637 1033574169 /nfs/dbraw/zinc/57/41/69/1033574169.db2.gz FMKSJYKAZIBZBY-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001137250608 1033598990 /nfs/dbraw/zinc/59/89/90/1033598990.db2.gz ZCHJAUBTTARSIX-MRXNPFEDSA-N -1 3 313.397 3.918 20 0 DHADHM CC(C)(C)c1coc(CNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000889556409 1033701636 /nfs/dbraw/zinc/70/16/36/1033701636.db2.gz XOYNBAUKENMWCS-UHFFFAOYSA-N -1 3 324.380 3.761 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000479351518 1033727755 /nfs/dbraw/zinc/72/77/55/1033727755.db2.gz OTWZXRVAXRZGSB-UHFFFAOYSA-N -1 3 307.390 3.820 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CC/C=C/c3ccccc3)n[n-]2)o1 ZINC000479469783 1033774844 /nfs/dbraw/zinc/77/48/44/1033774844.db2.gz IKNBHCAIBMUHKN-WEVVVXLNSA-N -1 3 322.368 3.805 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862727811 1033919584 /nfs/dbraw/zinc/91/95/84/1033919584.db2.gz MVPNXNXXYOVXMI-CABCVRRESA-N -1 3 313.422 3.656 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 ZINC000554152413 1033998389 /nfs/dbraw/zinc/99/83/89/1033998389.db2.gz SHCMCWZMAACWLE-KRWDZBQOSA-N -1 3 309.409 3.974 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccc(Cl)cc1 ZINC000023345541 1034028745 /nfs/dbraw/zinc/02/87/45/1034028745.db2.gz ZJNDWNBKVCTCIQ-UHFFFAOYSA-N -1 3 319.769 3.923 20 0 DHADHM [O-]c1cccc(Nc2ccc3c(c2)CCO3)c1Br ZINC001174012924 1034042483 /nfs/dbraw/zinc/04/24/83/1034042483.db2.gz YCLPOMWIDCWPBF-UHFFFAOYSA-N -1 3 306.159 3.833 20 0 DHADHM COc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c2ccccc12 ZINC000863360537 1034075264 /nfs/dbraw/zinc/07/52/64/1034075264.db2.gz SSYXKOBRDQCKPV-UHFFFAOYSA-N -1 3 321.380 3.834 20 0 DHADHM CCN(CC)C(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174166183 1034176042 /nfs/dbraw/zinc/17/60/42/1034176042.db2.gz MSWGUCJROZTMCH-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM CCCCNC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001174122054 1034189085 /nfs/dbraw/zinc/18/90/85/1034189085.db2.gz ZPELCJRLAOTNAG-UHFFFAOYSA-N -1 3 316.405 3.641 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174192045 1034210809 /nfs/dbraw/zinc/21/08/09/1034210809.db2.gz KIYAMJMZMLNNFF-UHFFFAOYSA-N -1 3 319.792 3.570 20 0 DHADHM Cc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc(Cl)n1 ZINC000842194134 1034317436 /nfs/dbraw/zinc/31/74/36/1034317436.db2.gz UQIZPJCJEMXIOA-UHFFFAOYSA-N -1 3 321.833 3.850 20 0 DHADHM CCOc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000864509149 1034370253 /nfs/dbraw/zinc/37/02/53/1034370253.db2.gz HJGUYOHUZHQWJT-AWEZNQCLSA-N -1 3 323.389 3.592 20 0 DHADHM CSc1ccc(CNCc2cccc(CCC(=O)[O-])c2)s1 ZINC000864518872 1034371997 /nfs/dbraw/zinc/37/19/97/1034371997.db2.gz WYCZCQYQUXXWLB-UHFFFAOYSA-N -1 3 321.467 3.777 20 0 DHADHM CC(C)=CC[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000864527633 1034377084 /nfs/dbraw/zinc/37/70/84/1034377084.db2.gz FAKBGDPUJVOQCY-VIFPVBQESA-N -1 3 308.230 3.954 20 0 DHADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1OC ZINC001174429417 1034378153 /nfs/dbraw/zinc/37/81/53/1034378153.db2.gz ZCXPOENDTNUYQL-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1nc(C2CCCCC2)no1 ZINC000185560960 1034557550 /nfs/dbraw/zinc/55/75/50/1034557550.db2.gz OEURRQNALRRBBU-LLVKDONJSA-N -1 3 319.380 3.813 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2c(C)noc2C2CC2)s1 ZINC000128976119 1034590311 /nfs/dbraw/zinc/59/03/11/1034590311.db2.gz GMKARHAIAAXRIY-UHFFFAOYSA-N -1 3 320.418 3.697 20 0 DHADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc([O-])cc(F)c1 ZINC000186254031 1034612507 /nfs/dbraw/zinc/61/25/07/1034612507.db2.gz ZTMZBTJJRZCIRD-UHFFFAOYSA-N -1 3 320.311 3.639 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(CC)nc2C)CC)n1 ZINC000899373260 1034618485 /nfs/dbraw/zinc/61/84/85/1034618485.db2.gz RIJZYHWFXLPRKH-UKTHLTGXSA-N -1 3 300.406 3.610 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(C3CCC3)c2)CC)n1 ZINC000899372962 1034618952 /nfs/dbraw/zinc/61/89/52/1034618952.db2.gz QICJAEMVALCEJC-ZROIWOOFSA-N -1 3 312.417 3.595 20 0 DHADHM COc1ccc(Nc2ncc(Br)cc2[O-])cc1C ZINC001174829779 1034624434 /nfs/dbraw/zinc/62/44/34/1034624434.db2.gz PPXYACBROGQZJS-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001175099817 1034780811 /nfs/dbraw/zinc/78/08/11/1034780811.db2.gz ATFZIAVYUYEACK-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175097107 1034813576 /nfs/dbraw/zinc/81/35/76/1034813576.db2.gz PQTIDNPGFFRRTH-UHFFFAOYSA-N -1 3 318.323 3.536 20 0 DHADHM CC(=O)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001175227737 1034878563 /nfs/dbraw/zinc/87/85/63/1034878563.db2.gz BGECZQKBCNTXQN-UHFFFAOYSA-N -1 3 311.316 3.663 20 0 DHADHM Cc1nccc(Br)c1Nc1c(F)ccc([O-])c1F ZINC001175263661 1034911393 /nfs/dbraw/zinc/91/13/93/1034911393.db2.gz PBUHSNGBUQOHPF-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1ccnc(Br)c1Nc1c(F)ccc([O-])c1F ZINC001175262566 1034912113 /nfs/dbraw/zinc/91/21/13/1034912113.db2.gz KHUOHFZNWMCRNF-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2c(F)c(F)nc(F)c2Cl)c1F ZINC001175262526 1034912518 /nfs/dbraw/zinc/91/25/18/1034912518.db2.gz IPFKXPNPKVWBLV-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM COC(=O)c1ccc(Cl)cc1Nc1c(F)ccc([O-])c1F ZINC001175264162 1034912570 /nfs/dbraw/zinc/91/25/70/1034912570.db2.gz BDJCJRZFGJIEJC-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cn1nc(-c2ccccc2)cc1Nc1c(F)ccc([O-])c1F ZINC001175263392 1034912579 /nfs/dbraw/zinc/91/25/79/1034912579.db2.gz UAXVIWKZVTTYTH-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM COc1ccc2ncc(Nc3c(F)ccc([O-])c3F)cc2c1 ZINC001175262911 1034912699 /nfs/dbraw/zinc/91/26/99/1034912699.db2.gz CLWYTKIGOCPEBM-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM Cc1cc(=O)[nH]c2cc(Nc3c(F)ccc([O-])c3F)ccc12 ZINC001175268529 1034913835 /nfs/dbraw/zinc/91/38/35/1034913835.db2.gz SFTGLWDVYMZNBA-UHFFFAOYSA-N -1 3 302.280 3.976 20 0 DHADHM O=C1CCCN1c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175266221 1034914856 /nfs/dbraw/zinc/91/48/56/1034914856.db2.gz VBSUKTIBAVKMRP-UHFFFAOYSA-N -1 3 304.296 3.541 20 0 DHADHM COC(=O)c1cc(C)c(Nc2c(F)ccc([O-])c2F)c(C)c1 ZINC001175268859 1034916380 /nfs/dbraw/zinc/91/63/80/1034916380.db2.gz ZPMTUIXDYYFOFV-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM COC(=O)/C=C/c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175270538 1034916575 /nfs/dbraw/zinc/91/65/75/1034916575.db2.gz DJXFMBHXTYKKEY-RUDMXATFSA-N -1 3 305.280 3.600 20 0 DHADHM CN(C)[C@@H]1CCOc2c(Nc3cccc(C(=O)[O-])c3)cccc21 ZINC001175335167 1034939346 /nfs/dbraw/zinc/93/93/46/1034939346.db2.gz WXIMZYAIZRKHQW-MRXNPFEDSA-N -1 3 312.369 3.514 20 0 DHADHM Cc1nc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001175429587 1034977701 /nfs/dbraw/zinc/97/77/01/1034977701.db2.gz WXNHATYEYPMWKF-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Fc1cc(Cl)cc(F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430084 1034980849 /nfs/dbraw/zinc/98/08/49/1034980849.db2.gz DPVLQKXILWOFGT-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Clc1cc2cccnc2c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175433440 1034982465 /nfs/dbraw/zinc/98/24/65/1034982465.db2.gz XGKOGVZZHWBMBG-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccccc1 ZINC000481862794 1035011555 /nfs/dbraw/zinc/01/15/55/1035011555.db2.gz BLVFBFBZLPHRLK-UHFFFAOYSA-N -1 3 303.427 3.921 20 0 DHADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc2c[nH]nc21 ZINC001175518380 1035023771 /nfs/dbraw/zinc/02/37/71/1035023771.db2.gz QCRVHGYCWYOILL-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM CN1CCC=C(Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)C1 ZINC001175577602 1035049370 /nfs/dbraw/zinc/04/93/70/1035049370.db2.gz DTZISMQHKDWXLX-INIZCTEOSA-N -1 3 302.418 3.532 20 0 DHADHM Cc1n[nH]c2cc(Nc3cc(=O)n(-c4ccccc4)[n-]3)ccc12 ZINC001175659709 1035076216 /nfs/dbraw/zinc/07/62/16/1035076216.db2.gz GSXITUYMKDTABT-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM O=C([O-])CC1(CN2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000568060829 1035173298 /nfs/dbraw/zinc/17/32/98/1035173298.db2.gz PPJFPOHSRFEUEG-ZDUSSCGKSA-N -1 3 316.426 3.688 20 0 DHADHM Cc1ccc(Nc2cccc(N3CCOCC3)c2)c(Cl)c1[O-] ZINC001176021010 1035187228 /nfs/dbraw/zinc/18/72/28/1035187228.db2.gz IJDOALKKXVVEDV-UHFFFAOYSA-N -1 3 318.804 3.934 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1cc(F)cc(N2CCCC2)c1 ZINC001176418553 1035268424 /nfs/dbraw/zinc/26/84/24/1035268424.db2.gz PNBRXHFURISKOR-UHFFFAOYSA-N -1 3 307.756 3.924 20 0 DHADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)nc2)cc1 ZINC000904002438 1035336891 /nfs/dbraw/zinc/33/68/91/1035336891.db2.gz WLROHQKRQFFCDH-MRXNPFEDSA-N -1 3 316.376 3.650 20 0 DHADHM Cc1cc(C)c(/C=C/CNCc2ccc(C(=O)[O-])c(C)n2)c(C)c1 ZINC000903997648 1035339082 /nfs/dbraw/zinc/33/90/82/1035339082.db2.gz STGIPYGBEPRKJB-AATRIKPKSA-N -1 3 324.424 3.816 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1sccc1OC ZINC000904033939 1035347179 /nfs/dbraw/zinc/34/71/79/1035347179.db2.gz XUUAEAQXYRUNKJ-AWEZNQCLSA-N -1 3 319.426 3.625 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000904035498 1035348272 /nfs/dbraw/zinc/34/82/72/1035348272.db2.gz DZHKUMXZPVCOII-UKRRQHHQSA-N -1 3 315.344 3.595 20 0 DHADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cc(F)ccc2C)c1 ZINC000904045129 1035351550 /nfs/dbraw/zinc/35/15/50/1035351550.db2.gz HKOKJUBKNYOWSZ-KRWDZBQOSA-N -1 3 301.361 3.748 20 0 DHADHM Cc1cccc(F)c1CNCc1cccc([O-])c1Br ZINC001177928853 1035400219 /nfs/dbraw/zinc/40/02/19/1035400219.db2.gz QIIJJATTWMMLQC-UHFFFAOYSA-N -1 3 324.193 3.892 20 0 DHADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436588326 1035405888 /nfs/dbraw/zinc/40/58/88/1035405888.db2.gz SOSFTDDLLVGCHI-ZDUSSCGKSA-N -1 3 319.401 3.552 20 0 DHADHM CN(Cc1ccco1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000195132178 1035415441 /nfs/dbraw/zinc/41/54/41/1035415441.db2.gz HKQQZGKBVMDJNW-UHFFFAOYSA-N -1 3 321.376 3.848 20 0 DHADHM C/C=C(C)/C=C/C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001178512583 1035433246 /nfs/dbraw/zinc/43/32/46/1035433246.db2.gz LPQOKJMAWDWPRY-UNKARBPLSA-N -1 3 317.385 3.808 20 0 DHADHM CCCC[C@@H](C)N(CCCC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436709957 1035470865 /nfs/dbraw/zinc/47/08/65/1035470865.db2.gz PYPYDBTXJYWABT-CYBMUJFWSA-N -1 3 321.417 3.942 20 0 DHADHM CCc1ccc(C(=O)N[C@@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC001179795493 1035504694 /nfs/dbraw/zinc/50/46/94/1035504694.db2.gz GBQGIYAOLNCLEW-CYBMUJFWSA-N -1 3 305.443 3.503 20 0 DHADHM COc1ccc(Cl)cc1CN(C)Cc1ccc([O-])c(F)c1 ZINC001179863043 1035522974 /nfs/dbraw/zinc/52/29/74/1035522974.db2.gz JZCIFEKBFPUAOM-UHFFFAOYSA-N -1 3 309.768 3.825 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000494544079 1035544888 /nfs/dbraw/zinc/54/48/88/1035544888.db2.gz CQASWNMXDPPFLV-AWEZNQCLSA-N -1 3 308.397 3.786 20 0 DHADHM CC(C)CCc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775577153 1035563623 /nfs/dbraw/zinc/56/36/23/1035563623.db2.gz KXEXYPHTXZVYNO-MRXNPFEDSA-N -1 3 306.406 3.855 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775577153 1035563634 /nfs/dbraw/zinc/56/36/34/1035563634.db2.gz KXEXYPHTXZVYNO-MRXNPFEDSA-N -1 3 306.406 3.855 20 0 DHADHM CC(C)CCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775573293 1035568832 /nfs/dbraw/zinc/56/88/32/1035568832.db2.gz GRIACBJQUBNHRT-INIZCTEOSA-N -1 3 306.406 3.855 20 0 DHADHM CC(C)CCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775573293 1035568845 /nfs/dbraw/zinc/56/88/45/1035568845.db2.gz GRIACBJQUBNHRT-INIZCTEOSA-N -1 3 306.406 3.855 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CC3)Oc3ccccc32)c1[O-] ZINC001180160022 1035613457 /nfs/dbraw/zinc/61/34/57/1035613457.db2.gz BUQBAHWTZRSYAB-UHFFFAOYSA-N -1 3 309.365 3.526 20 0 DHADHM Cc1sccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001193378794 1035624136 /nfs/dbraw/zinc/62/41/36/1035624136.db2.gz DDCQXXVGKMEYJZ-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM COc1ccc([C@H](NCc2ccc(C(=O)[O-])o2)C2CCC2)cc1 ZINC000905750550 1035626257 /nfs/dbraw/zinc/62/62/57/1035626257.db2.gz LWMNVRSECZXKGY-QGZVFWFLSA-N -1 3 315.369 3.617 20 0 DHADHM [O-]c1ccc(CN2Cc3ccc(Br)cc3C2)cc1F ZINC001180624044 1035719734 /nfs/dbraw/zinc/71/97/34/1035719734.db2.gz SKPJKWCDZGOFSR-UHFFFAOYSA-N -1 3 322.177 3.810 20 0 DHADHM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747450 1035728921 /nfs/dbraw/zinc/72/89/21/1035728921.db2.gz JOZMBDXITOXUPK-QWRGUYRKSA-N -1 3 315.335 3.967 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC001193938826 1035765428 /nfs/dbraw/zinc/76/54/28/1035765428.db2.gz ROOYQNFHZABSEM-UHFFFAOYSA-N -1 3 301.317 3.675 20 0 DHADHM CC(C)(C(=O)Nc1ccc(F)c([O-])c1)c1c(F)cccc1F ZINC001181187213 1035860976 /nfs/dbraw/zinc/86/09/76/1035860976.db2.gz DMMBWWRZRNBQTN-UHFFFAOYSA-N -1 3 309.287 3.726 20 0 DHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1cncc([O-])c1 ZINC001181423900 1035909238 /nfs/dbraw/zinc/90/92/38/1035909238.db2.gz RIYWBPCGFSVILM-UHFFFAOYSA-N -1 3 318.785 3.837 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CC1CCC(F)(F)CC1 ZINC001181434137 1035921311 /nfs/dbraw/zinc/92/13/11/1035921311.db2.gz WOCYZDTXTGCUHH-UHFFFAOYSA-N -1 3 311.328 3.749 20 0 DHADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccc(Cl)cc1 ZINC000914476867 1035937642 /nfs/dbraw/zinc/93/76/42/1035937642.db2.gz QYGZFOOOYQNADM-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM CC(C)CCOC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194882640 1036061407 /nfs/dbraw/zinc/06/14/07/1036061407.db2.gz WOTDMQXNFYCXFA-UHFFFAOYSA-N -1 3 323.389 3.942 20 0 DHADHM CC(C)c1nc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc2o1 ZINC000775624385 1036088169 /nfs/dbraw/zinc/08/81/69/1036088169.db2.gz CBMJPCYMZJOFBS-AWEZNQCLSA-N -1 3 319.361 3.531 20 0 DHADHM CC(C)c1nc2cc(NC(=O)[N-]O[C@H]3CCCCO3)ccc2o1 ZINC000775624385 1036088179 /nfs/dbraw/zinc/08/81/79/1036088179.db2.gz CBMJPCYMZJOFBS-AWEZNQCLSA-N -1 3 319.361 3.531 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1csc(C(F)(F)F)c1 ZINC001151092921 1036129169 /nfs/dbraw/zinc/12/91/69/1036129169.db2.gz OJOPARPLKRJBKZ-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM COc1nccnc1C(=O)[N-]c1ccccc1SC(C)(C)C ZINC001195092762 1036134405 /nfs/dbraw/zinc/13/44/05/1036134405.db2.gz OMPSTQZZLMOXOF-UHFFFAOYSA-N -1 3 317.414 3.628 20 0 DHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC000907123357 1036151327 /nfs/dbraw/zinc/15/13/27/1036151327.db2.gz KSHUQTWUIWVLIA-MRVPVSSYSA-N -1 3 323.361 3.521 20 0 DHADHM O=C(NOc1ccccc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000774276364 1036259832 /nfs/dbraw/zinc/25/98/32/1036259832.db2.gz SEXHXKGVFIFYCM-UHFFFAOYSA-N -1 3 319.360 3.707 20 0 DHADHM CCCCOc1ccc(C(=O)NCc2sccc2C)c([O-])c1 ZINC001182482573 1036369603 /nfs/dbraw/zinc/36/96/03/1036369603.db2.gz RFGZHLMCRFCBFF-UHFFFAOYSA-N -1 3 319.426 3.871 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC001182540579 1036382270 /nfs/dbraw/zinc/38/22/70/1036382270.db2.gz HZEJKGJHBMYGPG-STQMWFEESA-N -1 3 305.418 3.680 20 0 DHADHM Cc1ccc(CC(=O)[N-]O[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000775681048 1036411628 /nfs/dbraw/zinc/41/16/28/1036411628.db2.gz NAALWRAPUQFOPG-GOSISDBHSA-N -1 3 313.372 3.802 20 0 DHADHM C[C@H]1CCc2c(sc3[n-]c(COC4CCCC4)nc(=O)c23)C1 ZINC000174446745 1036491077 /nfs/dbraw/zinc/49/10/77/1036491077.db2.gz UHYDUZLFCFPHSZ-JTQLQIEISA-N -1 3 318.442 3.569 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccsc3C(F)F)n[n-]2)o1 ZINC001182930484 1036493003 /nfs/dbraw/zinc/49/30/03/1036493003.db2.gz CPAMCDCTIMPBHT-UHFFFAOYSA-N -1 3 324.312 3.625 20 0 DHADHM Cc1ccc(NC(=S)NCc2ccc(F)cc2)c(Cl)c1[O-] ZINC001196494255 1036558947 /nfs/dbraw/zinc/55/89/47/1036558947.db2.gz PMAOYHHPZDFPQB-UHFFFAOYSA-N -1 3 324.808 3.980 20 0 DHADHM Cc1c(Cl)cc(NC(=O)[C@@H](C(C)C)N(C)C)c([O-])c1Cl ZINC001183362746 1036570919 /nfs/dbraw/zinc/57/09/19/1036570919.db2.gz NRJZBVPHDSVUQU-GFCCVEGCSA-N -1 3 319.232 3.532 20 0 DHADHM [O-]c1cccc2sc(NC(=S)Nc3ccc(F)cc3)nc21 ZINC001196905066 1036644268 /nfs/dbraw/zinc/64/42/68/1036644268.db2.gz DVFIJAYLEARNNQ-UHFFFAOYSA-N -1 3 319.386 3.950 20 0 DHADHM Cc1ccccc1CCCSCCC[N-]C(=O)C(F)(F)F ZINC000774680701 1036673152 /nfs/dbraw/zinc/67/31/52/1036673152.db2.gz ZVNXVFUFCABRTJ-UHFFFAOYSA-N -1 3 319.392 3.729 20 0 DHADHM Cc1ccccc1[C@H](C)SCCC[N-]C(=O)C(F)(F)F ZINC000774680635 1036674121 /nfs/dbraw/zinc/67/41/21/1036674121.db2.gz YAZIIYWOYUXGCT-NSHDSACASA-N -1 3 305.365 3.858 20 0 DHADHM Cc1cccc(C)c1CSCCC[N-]C(=O)C(F)(F)F ZINC000774682899 1036676278 /nfs/dbraw/zinc/67/62/78/1036676278.db2.gz CRKKDOQWUPMYEV-UHFFFAOYSA-N -1 3 305.365 3.605 20 0 DHADHM O=C(/C=C/c1ccsc1)Nc1ccc(Br)cc1[O-] ZINC000915198181 1036696806 /nfs/dbraw/zinc/69/68/06/1036696806.db2.gz CIJNZIYOCCSLCG-DAFODLJHSA-N -1 3 324.199 3.868 20 0 DHADHM Cc1cccc2ccn(CC(=O)Nc3cc([O-])cc(Cl)c3)c21 ZINC001184192946 1036756595 /nfs/dbraw/zinc/75/65/95/1036756595.db2.gz CYXCWRFCYJOOAF-UHFFFAOYSA-N -1 3 314.772 3.947 20 0 DHADHM CCCCN(CC)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000492253071 1036802260 /nfs/dbraw/zinc/80/22/60/1036802260.db2.gz NPZSVRCWBIBSKM-UHFFFAOYSA-N -1 3 313.401 3.666 20 0 DHADHM C[C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001184510843 1036878199 /nfs/dbraw/zinc/87/81/99/1036878199.db2.gz NPXZZZZWTAFSBH-UWVGGRQHSA-N -1 3 312.207 3.920 20 0 DHADHM CCc1csc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000910735199 1036939176 /nfs/dbraw/zinc/93/91/76/1036939176.db2.gz YNUSRUBFWHWSPJ-MRVPVSSYSA-N -1 3 310.806 3.556 20 0 DHADHM Cc1cc(Br)ccc1NC(=O)Nc1cncc([O-])c1 ZINC001184790492 1036955698 /nfs/dbraw/zinc/95/56/98/1036955698.db2.gz FQKGALXQRQFIKY-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM O=C(Nc1ccc2ncsc2c1)c1cc([O-])ccc1Cl ZINC000236609916 1036968750 /nfs/dbraw/zinc/96/87/50/1036968750.db2.gz PNLZXRCRMJHHHB-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000668844749 1036982689 /nfs/dbraw/zinc/98/26/89/1036982689.db2.gz QBTSEJVCZUSXMO-XUJVJEKNSA-N -1 3 305.443 3.907 20 0 DHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CC2(C)CCC2)c([O-])c1 ZINC001185103586 1037038176 /nfs/dbraw/zinc/03/81/76/1037038176.db2.gz QFWRVXHOTOHXSE-UHFFFAOYSA-N -1 3 319.401 3.866 20 0 DHADHM CN(CCC(F)(F)F)Cc1cccc([O-])c1Br ZINC000315987486 1037065722 /nfs/dbraw/zinc/06/57/22/1037065722.db2.gz YWZJSDMHZVIYGD-UHFFFAOYSA-N -1 3 312.129 3.539 20 0 DHADHM Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001198628709 1037087486 /nfs/dbraw/zinc/08/74/86/1037087486.db2.gz HFSXKQUCKQATAQ-UHFFFAOYSA-N -1 3 301.273 3.544 20 0 DHADHM CCC(C)(C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488676565 1037106892 /nfs/dbraw/zinc/10/68/92/1037106892.db2.gz NIIGWOPFGOJTFX-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)c(F)c2F)c1[O-] ZINC001185331498 1037114551 /nfs/dbraw/zinc/11/45/51/1037114551.db2.gz SKEAOADBRXPWDK-UHFFFAOYSA-N -1 3 324.258 3.656 20 0 DHADHM O=S(=O)(Nc1cccc([O-])c1Cl)c1ccc2occc2c1 ZINC001198858933 1037149718 /nfs/dbraw/zinc/14/97/18/1037149718.db2.gz MESMADZDQZFLOU-UHFFFAOYSA-N -1 3 323.757 3.593 20 0 DHADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488883975 1037167516 /nfs/dbraw/zinc/16/75/16/1037167516.db2.gz HQKCLDMLQHEOLB-GXFFZTMASA-N -1 3 319.829 3.726 20 0 DHADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488883979 1037169121 /nfs/dbraw/zinc/16/91/21/1037169121.db2.gz HQKCLDMLQHEOLB-ZWNOBZJWSA-N -1 3 319.829 3.726 20 0 DHADHM COc1ccc(CNC(=O)Nc2cc3ccccc3cc2[O-])cc1 ZINC001185542958 1037185992 /nfs/dbraw/zinc/18/59/92/1037185992.db2.gz UBYDIDZTJSNIFO-UHFFFAOYSA-N -1 3 322.364 3.876 20 0 DHADHM O=C(OCc1cc(-c2ccco2)on1)c1cccc(Cl)c1[O-] ZINC000775933668 1037193234 /nfs/dbraw/zinc/19/32/34/1037193234.db2.gz JCHRYKUVIMHYSQ-UHFFFAOYSA-N -1 3 319.700 3.651 20 0 DHADHM O=C(OCc1ccn(C2CCCC2)n1)c1cccc(Cl)c1[O-] ZINC000775931930 1037194020 /nfs/dbraw/zinc/19/40/20/1037194020.db2.gz YXTHPBNVEJPKDQ-UHFFFAOYSA-N -1 3 320.776 3.714 20 0 DHADHM CCO[C@H](c1noc(-c2ccc(C)cc2[O-])n1)c1ccccc1 ZINC000322468801 1037211737 /nfs/dbraw/zinc/21/17/37/1037211737.db2.gz LFTGEGUVBZKNOL-INIZCTEOSA-N -1 3 310.353 3.877 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c1 ZINC000912042113 1037279538 /nfs/dbraw/zinc/27/95/38/1037279538.db2.gz OTRCPOPVBOXBKG-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM CC(C)Cn1cc(Nc2cccc([O-])c2Br)cn1 ZINC001205881883 1037405910 /nfs/dbraw/zinc/40/59/10/1037405910.db2.gz CCSSVOCFXHBVDK-UHFFFAOYSA-N -1 3 310.195 3.751 20 0 DHADHM CSc1ccccc1NC(=O)Nc1c([O-])cccc1C(C)=O ZINC001186744542 1037482779 /nfs/dbraw/zinc/48/27/79/1037482779.db2.gz GANYMFDYHXKHML-UHFFFAOYSA-N -1 3 316.382 3.961 20 0 DHADHM COc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000111689705 1037483004 /nfs/dbraw/zinc/48/30/04/1037483004.db2.gz ROIWJFVIDAOOLM-BAQGIRSFSA-N -1 3 318.756 3.959 20 0 DHADHM O=S(=O)([N-][C@H](CC1CCC1)c1cccc(F)c1)c1ccco1 ZINC001186883817 1037514980 /nfs/dbraw/zinc/51/49/80/1037514980.db2.gz JWOMBFAYEDCEIJ-OAHLLOKOSA-N -1 3 323.389 3.629 20 0 DHADHM CC[C@@H](C)c1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001186983651 1037533102 /nfs/dbraw/zinc/53/31/02/1037533102.db2.gz NTFSOPJZUIIMST-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM CC[C@@H](C)c1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001186983651 1037533116 /nfs/dbraw/zinc/53/31/16/1037533116.db2.gz NTFSOPJZUIIMST-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM [O-]c1cccc(CNCc2ccccc2-n2cccn2)c1Cl ZINC000328221469 1037708212 /nfs/dbraw/zinc/70/82/12/1037708212.db2.gz LQVFKQHNZWWQFH-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM O=C(OCc1cccc2cccnc21)c1cc(-c2ccco2)[n-]n1 ZINC000913302241 1037801109 /nfs/dbraw/zinc/80/11/09/1037801109.db2.gz SGECTCROITZZOF-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM O=C(OCc1cccc2cccnc21)c1cc(-c2ccco2)n[n-]1 ZINC000913302241 1037801120 /nfs/dbraw/zinc/80/11/20/1037801120.db2.gz SGECTCROITZZOF-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)cc(Cl)n1 ZINC000154096861 1037806231 /nfs/dbraw/zinc/80/62/31/1037806231.db2.gz MHACDQUCPLCRGW-UHFFFAOYSA-N -1 3 312.156 3.815 20 0 DHADHM [O-]c1cc(F)cc(CNCc2csc(-c3ccco3)n2)c1 ZINC000185579719 1037817722 /nfs/dbraw/zinc/81/77/22/1037817722.db2.gz SQBIOFMZWRCVOT-UHFFFAOYSA-N -1 3 304.346 3.538 20 0 DHADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1Cl ZINC001201681561 1037829883 /nfs/dbraw/zinc/82/98/83/1037829883.db2.gz SAQZIHYTGIYMES-UHFFFAOYSA-N -1 3 322.817 3.600 20 0 DHADHM Cn1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C(F)(F)F)c1 ZINC001188269583 1037863266 /nfs/dbraw/zinc/86/32/66/1037863266.db2.gz MBFHYVWGLHEHHF-UHFFFAOYSA-N -1 3 318.682 3.655 20 0 DHADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000005693706 1037889145 /nfs/dbraw/zinc/88/91/45/1037889145.db2.gz NLLLOWRHDLFJLS-UHFFFAOYSA-N -1 3 312.365 3.729 20 0 DHADHM COc1ccc2ccc(NC(=O)c3c(C)cccc3[O-])cc2n1 ZINC001188655475 1037944487 /nfs/dbraw/zinc/94/44/87/1037944487.db2.gz PUPLDUIGGQJMFP-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cccc(Cl)c1F ZINC001188655686 1037944840 /nfs/dbraw/zinc/94/48/40/1037944840.db2.gz VSNFWWYELXWZLZ-SNVBAGLBSA-N -1 3 307.752 3.984 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001188659220 1037947145 /nfs/dbraw/zinc/94/71/45/1037947145.db2.gz ISVAFZDBVKANHP-QGZVFWFLSA-N -1 3 301.361 3.967 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2ccccc2Br)n1 ZINC001201965410 1037956770 /nfs/dbraw/zinc/95/67/70/1037956770.db2.gz JOINVAHLIHSENT-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1c(C)cccc1[O-] ZINC001188640272 1037957474 /nfs/dbraw/zinc/95/74/74/1037957474.db2.gz LORSBGRJTFKBOR-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000916740547 1037958823 /nfs/dbraw/zinc/95/88/23/1037958823.db2.gz WXBNYVNAQATSKZ-UHFFFAOYSA-N -1 3 319.788 3.747 20 0 DHADHM COCCc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000916856717 1038000125 /nfs/dbraw/zinc/00/01/25/1038000125.db2.gz TWIGBMWJCLUMTK-UHFFFAOYSA-N -1 3 301.367 3.638 20 0 DHADHM COC(=O)c1ccc(C)c(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000916864236 1038005935 /nfs/dbraw/zinc/00/59/35/1038005935.db2.gz PFKKUWPUTPEFGH-UHFFFAOYSA-N -1 3 315.350 3.544 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(-c2cnco2)c1 ZINC001188957404 1038021116 /nfs/dbraw/zinc/02/11/16/1038021116.db2.gz UJIDQRJJPWYEOM-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c(Cl)c1 ZINC000494352236 1038060822 /nfs/dbraw/zinc/06/08/22/1038060822.db2.gz SRUSNUBOJSKEBF-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c([O-])c1C ZINC000916986161 1038098479 /nfs/dbraw/zinc/09/84/79/1038098479.db2.gz LQPSAXAULKXPCH-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM COc1cc(CNC(=O)Nc2cccc(F)c2)cc(Cl)c1[O-] ZINC001202234486 1038128867 /nfs/dbraw/zinc/12/88/67/1038128867.db2.gz QYMZAHYTYHCOGQ-UHFFFAOYSA-N -1 3 324.739 3.515 20 0 DHADHM Cc1ccc(CN(C(=O)c2ccc(O)cc2[O-])C2CC2)cc1C ZINC000127149811 1038152931 /nfs/dbraw/zinc/15/29/31/1038152931.db2.gz KTBPAANFUYREKY-UHFFFAOYSA-N -1 3 311.381 3.519 20 0 DHADHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000055576847 1038192076 /nfs/dbraw/zinc/19/20/76/1038192076.db2.gz NDVJEQIJHROPRY-VOTSOKGWSA-N -1 3 309.337 3.686 20 0 DHADHM CC(C)N(CC1CC1)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189763754 1038212169 /nfs/dbraw/zinc/21/21/69/1038212169.db2.gz YYSJINONXGBGST-UHFFFAOYSA-N -1 3 317.307 3.551 20 0 DHADHM Cc1ccccc1-c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001190304781 1038292874 /nfs/dbraw/zinc/29/28/74/1038292874.db2.gz ZONAEYLPCCLFQM-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(C)(C)C ZINC001190437928 1038317789 /nfs/dbraw/zinc/31/77/89/1038317789.db2.gz TZIVQNSXFMVIMH-AWEZNQCLSA-N -1 3 319.417 3.766 20 0 DHADHM CCC1(NC(=O)c2ccc(=O)[n-]c2Cl)CCC(F)(F)CC1 ZINC001190918263 1038406602 /nfs/dbraw/zinc/40/66/02/1038406602.db2.gz OIUJCAZJNKWVNN-UHFFFAOYSA-N -1 3 318.751 3.529 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC001191195807 1038458816 /nfs/dbraw/zinc/45/88/16/1038458816.db2.gz ZSWBNNJWYQBLGY-KRWDZBQOSA-N -1 3 311.429 3.780 20 0 DHADHM CC[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609482 1038473653 /nfs/dbraw/zinc/47/36/53/1038473653.db2.gz RCKPPIZUPUBBKA-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM CSCc1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000572821815 1038504974 /nfs/dbraw/zinc/50/49/74/1038504974.db2.gz ZDONESYWECSHPJ-PLNGDYQASA-N -1 3 305.428 3.550 20 0 DHADHM CC[C@H](C)CC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001192295424 1038622770 /nfs/dbraw/zinc/62/27/70/1038622770.db2.gz ZACSXVPVAIHLND-LBPRGKRZSA-N -1 3 324.471 3.525 20 0 DHADHM CC(=O)Nc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)c(C)c1 ZINC001192500503 1038668209 /nfs/dbraw/zinc/66/82/09/1038668209.db2.gz UFMYFYPJTRCJMX-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)P(CCNC(=O)c1ccc(F)c(F)c1[O-])C(C)C ZINC001192819447 1038704700 /nfs/dbraw/zinc/70/47/00/1038704700.db2.gz XPLPXBZRHBPNPK-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM CSCC[C@@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598690295 1038840723 /nfs/dbraw/zinc/84/07/23/1038840723.db2.gz OZKOLLLLFGHCPC-SECBINFHSA-N -1 3 321.364 3.625 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1cc(F)ccc1F ZINC000171820334 1039645313 /nfs/dbraw/zinc/64/53/13/1039645313.db2.gz JDEODCRPPDYLKL-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCCC23CCOCC3)c([O-])c1 ZINC000669738915 1039944330 /nfs/dbraw/zinc/94/43/30/1039944330.db2.gz JFXWKVIJEPQPIW-KRWDZBQOSA-N -1 3 317.429 3.595 20 0 DHADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)C1 ZINC000606910192 1040032130 /nfs/dbraw/zinc/03/21/30/1040032130.db2.gz WGZSONZUOQKZSY-IUCAKERBSA-N -1 3 307.868 3.505 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000606931546 1040048638 /nfs/dbraw/zinc/04/86/38/1040048638.db2.gz HVWKGQZZFMHPNA-UHFFFAOYSA-N -1 3 315.800 3.807 20 0 DHADHM CCC(CC)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000533965795 1040235907 /nfs/dbraw/zinc/23/59/07/1040235907.db2.gz WKAVTLSAGNORGP-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM O=C([N-]c1ncc(Cl)s1)c1cc(-c2ccccc2)no1 ZINC000607988415 1040345718 /nfs/dbraw/zinc/34/57/18/1040345718.db2.gz DDFCUDWYGXVJJN-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc([C@H]2CCCOC2)c1 ZINC000534307774 1040795268 /nfs/dbraw/zinc/79/52/68/1040795268.db2.gz INFGKJAHUWMNPI-AWEZNQCLSA-N -1 3 315.344 3.678 20 0 DHADHM CCc1nnc([N-]C(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000079381918 185167555 /nfs/dbraw/zinc/16/75/55/185167555.db2.gz NENBXJCWIBPJNI-UHFFFAOYSA-N -1 3 319.283 3.511 20 0 DHADHM Cc1cc(F)c(CN[C@@H](C)CCCCC(=O)[O-])c(Cl)c1 ZINC000417544116 334961137 /nfs/dbraw/zinc/96/11/37/334961137.db2.gz GZXTYRNDEQRLAU-NSHDSACASA-N -1 3 301.789 3.911 20 0 DHADHM CCOc1ccc(C2=CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091926928 193127089 /nfs/dbraw/zinc/12/70/89/193127089.db2.gz XESBVRGAOHUKQZ-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007050678 181434928 /nfs/dbraw/zinc/43/49/28/181434928.db2.gz GLGYSASGSBWSBR-UHFFFAOYSA-N -1 3 315.438 3.929 20 0 DHADHM Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000417604035 335003824 /nfs/dbraw/zinc/00/38/24/335003824.db2.gz SYDKGTANYLFGLU-KRWDZBQOSA-N -1 3 301.361 3.830 20 0 DHADHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182790260 335002999 /nfs/dbraw/zinc/00/29/99/335002999.db2.gz FHDIAASQAFREIT-GOSISDBHSA-N -1 3 324.424 3.889 20 0 DHADHM C[C@H](CC(=O)[N-]OCc1cccnc1)Cc1ccc(Cl)cc1 ZINC000092961564 193188603 /nfs/dbraw/zinc/18/86/03/193188603.db2.gz GUDRUDLQXNMQTO-ZDUSSCGKSA-N -1 3 318.804 3.552 20 0 DHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccc(F)cc1Cl ZINC000417605558 335006029 /nfs/dbraw/zinc/00/60/29/335006029.db2.gz BJJUWBFROCJPNV-OAHLLOKOSA-N -1 3 313.800 3.992 20 0 DHADHM CC(C)(C)c1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000417618147 335012497 /nfs/dbraw/zinc/01/24/97/335012497.db2.gz CRCBDHIDCPVDON-SECBINFHSA-N -1 3 323.380 3.788 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000417619217 335013474 /nfs/dbraw/zinc/01/34/74/335013474.db2.gz DUCDOMQYCDIDDX-GXTWGEPZSA-N -1 3 324.490 3.954 20 0 DHADHM O=C([O-])C[C@H](CNCc1csc2ccccc12)C(F)(F)F ZINC000417626082 335015877 /nfs/dbraw/zinc/01/58/77/335015877.db2.gz MQJIDSGVSAWEIH-SNVBAGLBSA-N -1 3 317.332 3.644 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)o1 ZINC000417628319 335016623 /nfs/dbraw/zinc/01/66/23/335016623.db2.gz WAABNCCNZZAZCW-GXTWGEPZSA-N -1 3 315.344 3.513 20 0 DHADHM CC(C)(C)CC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417631403 335020082 /nfs/dbraw/zinc/02/00/82/335020082.db2.gz FCZQXNLXIKWXRR-CYBMUJFWSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(Br)c2)c1[O-] ZINC000019807270 182152672 /nfs/dbraw/zinc/15/26/72/182152672.db2.gz WTQQGABUANDDQO-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000563816314 335028599 /nfs/dbraw/zinc/02/85/99/335028599.db2.gz JEMJONVDWANBNS-INIZCTEOSA-N -1 3 317.360 3.632 20 0 DHADHM COc1ccc(F)c(CNCCC2(CC(=O)[O-])CCCCC2)c1 ZINC000417647254 335029781 /nfs/dbraw/zinc/02/97/81/335029781.db2.gz HCTCWJDITSKEHI-UHFFFAOYSA-N -1 3 323.408 3.739 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@@H]2CC(=O)[O-])s1 ZINC000417667803 335035277 /nfs/dbraw/zinc/03/52/77/335035277.db2.gz JBWSGCIGGKJFRE-VXGBXAGGSA-N -1 3 310.463 3.564 20 0 DHADHM CC[C@H](CCNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000417667805 335035352 /nfs/dbraw/zinc/03/53/52/335035352.db2.gz JBYSEKVVVMRRJM-CYBMUJFWSA-N -1 3 303.358 3.662 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C)ccc2[O-])s1 ZINC000106710733 194245674 /nfs/dbraw/zinc/24/56/74/194245674.db2.gz QOFNPLVCCYVWIS-LLVKDONJSA-N -1 3 304.415 3.607 20 0 DHADHM CSc1c(F)cc(NC([O-])=NOC2CCCC2)cc1F ZINC000273116139 130090451 /nfs/dbraw/zinc/09/04/51/130090451.db2.gz PHFUBMPZJFTNTF-UHFFFAOYSA-N -1 3 302.346 3.682 20 0 DHADHM CSc1c(F)cc(NC(=O)[N-]OC2CCCC2)cc1F ZINC000273116139 130090454 /nfs/dbraw/zinc/09/04/54/130090454.db2.gz PHFUBMPZJFTNTF-UHFFFAOYSA-N -1 3 302.346 3.682 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2cccnc2OC2CCCC2)no1 ZINC000273821582 130172306 /nfs/dbraw/zinc/17/23/06/130172306.db2.gz XAVZCICIHQXYII-UHFFFAOYSA-N -1 3 323.352 3.826 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2F)c2c([O-])cccc21 ZINC000274383762 130231815 /nfs/dbraw/zinc/23/18/15/130231815.db2.gz NLSYRTHBPMWBLI-SECBINFHSA-N -1 3 320.751 3.734 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(C)oc1C(F)(F)F ZINC000274671693 130253824 /nfs/dbraw/zinc/25/38/24/130253824.db2.gz YAMSGECKDBIBOU-UHFFFAOYSA-N -1 3 302.252 3.718 20 0 DHADHM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2[O-])cs1 ZINC000275149173 130295229 /nfs/dbraw/zinc/29/52/29/130295229.db2.gz RRSABMCEYBWBHG-OAHLLOKOSA-N -1 3 316.426 3.751 20 0 DHADHM CSc1cccc(NC([O-])=NOCCC(F)(F)F)c1C ZINC000275175036 130297031 /nfs/dbraw/zinc/29/70/31/130297031.db2.gz BZESDAANTDPLRT-UHFFFAOYSA-N -1 3 308.325 3.722 20 0 DHADHM CSc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1C ZINC000275175036 130297032 /nfs/dbraw/zinc/29/70/32/130297032.db2.gz BZESDAANTDPLRT-UHFFFAOYSA-N -1 3 308.325 3.722 20 0 DHADHM Cc1ccc(-c2ncccc2NC([O-])=NOCC(C)C)s1 ZINC000275695867 130364809 /nfs/dbraw/zinc/36/48/09/130364809.db2.gz RWNKVSYQYRNTDC-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM Cc1ccc(-c2ncccc2NC(=O)[N-]OCC(C)C)s1 ZINC000275695867 130364812 /nfs/dbraw/zinc/36/48/12/130364812.db2.gz RWNKVSYQYRNTDC-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000286027074 131215878 /nfs/dbraw/zinc/21/58/78/131215878.db2.gz GEVAREIOOKFSGF-CGTJXYLNSA-N -1 3 323.392 3.506 20 0 DHADHM O=C(Nc1ccc2c(n1)CCC2)c1cc([O-])ccc1C(F)(F)F ZINC000297166915 132002502 /nfs/dbraw/zinc/00/25/02/132002502.db2.gz NAVWYSYWPQCBKF-UHFFFAOYSA-N -1 3 322.286 3.547 20 0 DHADHM CCOc1cc(CN2CCC(CF)CC2)cc(Cl)c1[O-] ZINC000297322077 132009556 /nfs/dbraw/zinc/00/95/56/132009556.db2.gz CQMOAFQNWWAKCH-UHFFFAOYSA-N -1 3 301.789 3.626 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297719342 132030677 /nfs/dbraw/zinc/03/06/77/132030677.db2.gz INMLSLGIDAMDOV-ZETCQYMHSA-N -1 3 306.193 3.675 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000297818536 132035332 /nfs/dbraw/zinc/03/53/32/132035332.db2.gz QJBDWVTWWGMJDD-LLVKDONJSA-N -1 3 303.362 3.749 20 0 DHADHM Cc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)c([O-])c1C ZINC000299565708 132111578 /nfs/dbraw/zinc/11/15/78/132111578.db2.gz MPZSDXYEWIXCND-UHFFFAOYSA-N -1 3 317.429 3.573 20 0 DHADHM Cc1ncccc1CN[C@@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000340672582 132140584 /nfs/dbraw/zinc/14/05/84/132140584.db2.gz BMGAXLLDSDNGIT-XLIONFOSSA-N -1 3 324.424 3.603 20 0 DHADHM CCC(CC)(NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000340674414 132141223 /nfs/dbraw/zinc/14/12/23/132141223.db2.gz FTBGBQHLNGSMSS-UHFFFAOYSA-N -1 3 310.444 3.605 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1sc(C)nc1CC(C)C ZINC000121113334 132152350 /nfs/dbraw/zinc/15/23/50/132152350.db2.gz NPRYAHCMEJIMFU-UHFFFAOYSA-N -1 3 307.419 3.761 20 0 DHADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1CCC1CCCC1 ZINC000525870205 335071405 /nfs/dbraw/zinc/07/14/05/335071405.db2.gz FYIWQJXSLNAFRM-CQSZACIVSA-N -1 3 312.417 3.533 20 0 DHADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1CCC1CCCC1 ZINC000525870205 335071406 /nfs/dbraw/zinc/07/14/06/335071406.db2.gz FYIWQJXSLNAFRM-CQSZACIVSA-N -1 3 312.417 3.533 20 0 DHADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1CCC1CCCC1 ZINC000525870205 335071407 /nfs/dbraw/zinc/07/14/07/335071407.db2.gz FYIWQJXSLNAFRM-CQSZACIVSA-N -1 3 312.417 3.533 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)no1 ZINC000606885980 430554905 /nfs/dbraw/zinc/55/49/05/430554905.db2.gz GBGHDPXKKBAFJP-UHFFFAOYSA-N -1 3 303.343 3.514 20 0 DHADHM CC(=O)c1c(C)cc(C)c(C[S@](=O)c2ccc([O-])cc2)c1C ZINC000108085354 331503533 /nfs/dbraw/zinc/50/35/33/331503533.db2.gz XXBXRVPEGLCWTJ-JOCHJYFZSA-N -1 3 316.422 3.828 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C[S@](=O)c1ccc([O-])cc1 ZINC000108086226 331503914 /nfs/dbraw/zinc/50/39/14/331503914.db2.gz KZGUNGWVXAEHNC-JOCHJYFZSA-N -1 3 313.378 3.663 20 0 DHADHM Cc1cccc(-c2nc(Cc3ccccc3Cl)no2)c1[O-] ZINC000109037688 331504565 /nfs/dbraw/zinc/50/45/65/331504565.db2.gz CEVQJMWJVQVKMN-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000530658056 331615991 /nfs/dbraw/zinc/61/59/91/331615991.db2.gz NMEBWDGAAYCQHA-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(C(F)(F)F)c1F ZINC000530713819 331620757 /nfs/dbraw/zinc/62/07/57/331620757.db2.gz OZYNMZHCTKNTDO-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM Cc1cc(CCNC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC000557244336 331778424 /nfs/dbraw/zinc/77/84/24/331778424.db2.gz PRZVYIJRMKUIRU-UHFFFAOYSA-N -1 3 324.207 3.980 20 0 DHADHM COc1ccccc1[C@H](NCc1ccc(Cl)cc1C)C(=O)[O-] ZINC000426769205 331950732 /nfs/dbraw/zinc/95/07/32/331950732.db2.gz GWNRVKDMKZSZJB-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000426774210 332004194 /nfs/dbraw/zinc/00/41/94/332004194.db2.gz NFAUUKLMQKCTQF-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000409916699 332063633 /nfs/dbraw/zinc/06/36/33/332063633.db2.gz XKMMJFSDAHIYHQ-JTQLQIEISA-N -1 3 324.302 3.857 20 0 DHADHM Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)c([O-])c1 ZINC000410066671 332085085 /nfs/dbraw/zinc/08/50/85/332085085.db2.gz BVURDHQCNRTZHD-INIZCTEOSA-N -1 3 318.804 3.595 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2SC)c1 ZINC000410265553 332106358 /nfs/dbraw/zinc/10/63/58/332106358.db2.gz HTIIVKNLMURHCT-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM CN(CCc1cccc2ccccc21)C(=O)c1c([O-])cccc1O ZINC000092120628 332111208 /nfs/dbraw/zinc/11/12/08/332111208.db2.gz ITUVYPWHEYMJGI-UHFFFAOYSA-N -1 3 321.376 3.566 20 0 DHADHM CC(C)[C@@H](c1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000569542665 332132206 /nfs/dbraw/zinc/13/22/06/332132206.db2.gz LHSFXNHHIKIBTP-MRXNPFEDSA-N -1 3 319.368 3.796 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC000569583028 332145645 /nfs/dbraw/zinc/14/56/45/332145645.db2.gz GLQOTZPBZXZHCL-NSHDSACASA-N -1 3 305.399 3.648 20 0 DHADHM CCc1ccc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426810382 332152056 /nfs/dbraw/zinc/15/20/56/332152056.db2.gz YZFPHAWNOAYNSC-MRXNPFEDSA-N -1 3 321.779 3.957 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000426808266 332152126 /nfs/dbraw/zinc/15/21/26/332152126.db2.gz QYBONZZDPOSAAL-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM Cc1ccc2[nH]c(CN[C@@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000426782144 332152732 /nfs/dbraw/zinc/15/27/32/332152732.db2.gz FVLCLYVMNUYORX-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426786580 332153315 /nfs/dbraw/zinc/15/33/15/332153315.db2.gz WPVDJYRSEGWXLW-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)c1 ZINC000426797377 332154880 /nfs/dbraw/zinc/15/48/80/332154880.db2.gz BAMWMTSUDQPYHN-SFHVURJKSA-N -1 3 313.397 3.563 20 0 DHADHM CC(C)(C)C[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426803996 332155339 /nfs/dbraw/zinc/15/53/39/332155339.db2.gz RBNRXQBBTWSUHI-GFCCVEGCSA-N -1 3 304.217 3.972 20 0 DHADHM CCC[C@H](C)C[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000426826933 332155660 /nfs/dbraw/zinc/15/56/60/332155660.db2.gz UPFCOGWVYPKWSO-XHDPSFHLSA-N -1 3 313.825 3.718 20 0 DHADHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426826925 332155767 /nfs/dbraw/zinc/15/57/67/332155767.db2.gz QLDDCYZIQMSXQM-KRWDZBQOSA-N -1 3 317.360 3.528 20 0 DHADHM CC(C)Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426827533 332156045 /nfs/dbraw/zinc/15/60/45/332156045.db2.gz SIOVQQZKTBJWFU-SFHVURJKSA-N -1 3 315.388 3.940 20 0 DHADHM CCC[C@H](C)C[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426816787 332157317 /nfs/dbraw/zinc/15/73/17/332157317.db2.gz QMWFRXVEXROOHZ-HZMBPMFUSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426824433 332157891 /nfs/dbraw/zinc/15/78/91/332157891.db2.gz HWGDXQDSSGNFJN-INIZCTEOSA-N -1 3 321.779 3.957 20 0 DHADHM COc1ccccc1[C@H](NCc1cc(C)c(C)cc1C)C(=O)[O-] ZINC000426822534 332157914 /nfs/dbraw/zinc/15/79/14/332157914.db2.gz CSZNTYITSDYTOA-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427203540 332183649 /nfs/dbraw/zinc/18/36/49/332183649.db2.gz HGIXBLJKIFOJPW-CQSZACIVSA-N -1 3 312.413 3.713 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H]1C1CC1 ZINC000427247019 332187914 /nfs/dbraw/zinc/18/79/14/332187914.db2.gz WLOWAMJVHDYELN-CYBMUJFWSA-N -1 3 313.319 3.672 20 0 DHADHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)cc1 ZINC000042259576 332240293 /nfs/dbraw/zinc/24/02/93/332240293.db2.gz GDGPQGKNFLGSJV-SECBINFHSA-N -1 3 319.817 3.901 20 0 DHADHM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)C1CC1)c1ccccc1 ZINC000115312700 332241163 /nfs/dbraw/zinc/24/11/63/332241163.db2.gz KUCHLYACSQTRKW-CYBMUJFWSA-N -1 3 317.410 3.731 20 0 DHADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000559582204 332272735 /nfs/dbraw/zinc/27/27/35/332272735.db2.gz WUHMWQPATOBINL-MRXNPFEDSA-N -1 3 301.773 3.771 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000109827614 332284238 /nfs/dbraw/zinc/28/42/38/332284238.db2.gz ZNMLUEGEIOOIAS-UHFFFAOYSA-N -1 3 313.353 3.714 20 0 DHADHM CC1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000564669530 332298277 /nfs/dbraw/zinc/29/82/77/332298277.db2.gz RIGHCGBYNCZHHD-UFFDXJJYSA-N -1 3 311.784 3.868 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1[O-] ZINC000560456840 332340837 /nfs/dbraw/zinc/34/08/37/332340837.db2.gz IADDFIIYUZWJOT-JQWIXIFHSA-N -1 3 315.335 3.758 20 0 DHADHM CC1(C)CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000566358769 332375693 /nfs/dbraw/zinc/37/56/93/332375693.db2.gz MFOCJLUBZNNFBN-CYBMUJFWSA-N -1 3 315.335 3.953 20 0 DHADHM C[C@@H]1CC[C@@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000408245929 332387728 /nfs/dbraw/zinc/38/77/28/332387728.db2.gz JMIHUGIIMDHONK-VXGBXAGGSA-N -1 3 311.385 3.702 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2nccs2)c2ccccc2)c([O-])c1 ZINC000171497806 332645708 /nfs/dbraw/zinc/64/57/08/332645708.db2.gz UTGQLQMJAJDNAY-INIZCTEOSA-N -1 3 324.405 3.677 20 0 DHADHM Cc1cccc(C(=O)N[C@H](c2nccs2)c2ccccc2)c1[O-] ZINC000171497025 332645712 /nfs/dbraw/zinc/64/57/12/332645712.db2.gz BFNYUXGPKOZBMN-HNNXBMFYSA-N -1 3 324.405 3.677 20 0 DHADHM C[C@@]1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000580218043 333018314 /nfs/dbraw/zinc/01/83/14/333018314.db2.gz ODZIOKJCKAASGH-LJQANCHMSA-N -1 3 313.372 3.688 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3[O-])on2)cc1 ZINC000179556722 333025507 /nfs/dbraw/zinc/02/55/07/333025507.db2.gz RIFAGCNSBOZONI-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCOc1cc(-c2noc([C@@H](C)OCC(C)C)n2)ccc1[O-] ZINC000580274435 333050288 /nfs/dbraw/zinc/05/02/88/333050288.db2.gz RGVVYMUIMCRZCV-LLVKDONJSA-N -1 3 306.362 3.575 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000188871325 333056181 /nfs/dbraw/zinc/05/61/81/333056181.db2.gz NTLBKDSYGFLJBD-CQSZACIVSA-N -1 3 322.412 3.614 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000188871325 333056182 /nfs/dbraw/zinc/05/61/82/333056182.db2.gz NTLBKDSYGFLJBD-CQSZACIVSA-N -1 3 322.412 3.614 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188871325 333056183 /nfs/dbraw/zinc/05/61/83/333056183.db2.gz NTLBKDSYGFLJBD-CQSZACIVSA-N -1 3 322.412 3.614 20 0 DHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc([O-])c1 ZINC000182040940 333148866 /nfs/dbraw/zinc/14/88/66/333148866.db2.gz ZZQBTUPSSJOBQV-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC000387813832 333178289 /nfs/dbraw/zinc/17/82/89/333178289.db2.gz SHEZHWJGNIMODG-NSHDSACASA-N -1 3 313.344 3.536 20 0 DHADHM Cc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)oc1C(=O)[O-] ZINC000582067771 333196798 /nfs/dbraw/zinc/19/67/98/333196798.db2.gz IAOQAKPHEXOHGL-TZMCWYRMSA-N -1 3 317.360 3.803 20 0 DHADHM Cc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)oc1C(=O)[O-] ZINC000582067768 333196977 /nfs/dbraw/zinc/19/69/77/333196977.db2.gz IAOQAKPHEXOHGL-GXTWGEPZSA-N -1 3 317.360 3.803 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531190858 333329909 /nfs/dbraw/zinc/32/99/09/333329909.db2.gz XXLSPKRSXQMGCE-UHFFFAOYSA-N -1 3 303.333 3.961 20 0 DHADHM CC(C)c1cccc(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000531373863 333347224 /nfs/dbraw/zinc/34/72/24/333347224.db2.gz XUBPQJWIRHCDSF-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM C[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)c2c([O-])cccc21 ZINC000186292571 333372831 /nfs/dbraw/zinc/37/28/31/333372831.db2.gz HRNBUJHTUBPWOO-SNVBAGLBSA-N -1 3 314.410 3.880 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1[O-] ZINC000411338031 333657358 /nfs/dbraw/zinc/65/73/58/333657358.db2.gz JFKBIKLKKNMYGM-ZDUSSCGKSA-N -1 3 311.381 3.736 20 0 DHADHM Cc1nsc(C)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000343350070 335153143 /nfs/dbraw/zinc/15/31/43/335153143.db2.gz NTQSLBKBTPYTLG-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(OC)cc(Cl)c1F ZINC000412217195 333739636 /nfs/dbraw/zinc/73/96/36/333739636.db2.gz KZMBMNGKERHTHV-UHFFFAOYSA-N -1 3 312.728 3.599 20 0 DHADHM Cc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c([O-])c1C ZINC000412389193 333755280 /nfs/dbraw/zinc/75/52/80/333755280.db2.gz QXPRVCQVCDHNJV-UHFFFAOYSA-N -1 3 315.800 3.902 20 0 DHADHM O=C(c1cccc([O-])c1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413996784 333884011 /nfs/dbraw/zinc/88/40/11/333884011.db2.gz UNUBXJUVMOTYNS-GOSISDBHSA-N -1 3 307.393 3.802 20 0 DHADHM CCC[C@H](CC)[S@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414233890 333927753 /nfs/dbraw/zinc/92/77/53/333927753.db2.gz BUUHVKYBFPLGOK-OYHNWAKOSA-N -1 3 318.442 3.677 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@@H](C)c2nccs2)c([O-])c1 ZINC000436979174 334023241 /nfs/dbraw/zinc/02/32/41/334023241.db2.gz JRAICRXUYJQVIE-LLVKDONJSA-N -1 3 304.415 3.506 20 0 DHADHM CSc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000272528627 334036705 /nfs/dbraw/zinc/03/67/05/334036705.db2.gz WOQWKOUTIJWBEJ-AWEZNQCLSA-N -1 3 307.440 3.776 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN[C@H](C)CC(=O)[O-] ZINC000414641088 334050025 /nfs/dbraw/zinc/05/00/25/334050025.db2.gz SIRPBZRDQONHDQ-SNVBAGLBSA-N -1 3 301.839 3.793 20 0 DHADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1F ZINC000414662311 334060943 /nfs/dbraw/zinc/06/09/43/334060943.db2.gz RIAPNZRHRXYYLJ-UHFFFAOYSA-N -1 3 301.361 3.788 20 0 DHADHM Cc1coc2ccc(NC([O-])=NOCCC(F)(F)F)cc12 ZINC000275211464 334069996 /nfs/dbraw/zinc/06/99/96/334069996.db2.gz JTWRFTWJPDALEK-UHFFFAOYSA-N -1 3 302.252 3.747 20 0 DHADHM Cc1coc2ccc(NC(=O)[N-]OCCC(F)(F)F)cc12 ZINC000275211464 334069997 /nfs/dbraw/zinc/06/99/97/334069997.db2.gz JTWRFTWJPDALEK-UHFFFAOYSA-N -1 3 302.252 3.747 20 0 DHADHM CC(C)N(C)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000425292482 334184467 /nfs/dbraw/zinc/18/44/67/334184467.db2.gz YWXWRPQEGXDWHT-UHFFFAOYSA-N -1 3 316.376 3.557 20 0 DHADHM Fc1cccc2c1SCC[C@H]2[N-]c1nnc(C(F)F)o1 ZINC000292576775 334189514 /nfs/dbraw/zinc/18/95/14/334189514.db2.gz UBCDQDAEOQBWSI-MRVPVSSYSA-N -1 3 301.293 3.795 20 0 DHADHM CCCOc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000293533445 334198796 /nfs/dbraw/zinc/19/87/96/334198796.db2.gz JONDIBAQWMESPJ-UHFFFAOYSA-N -1 3 306.793 3.519 20 0 DHADHM COCc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000187777964 334272950 /nfs/dbraw/zinc/27/29/50/334272950.db2.gz GHTQVECPMSJPMM-UHFFFAOYSA-N -1 3 313.382 3.537 20 0 DHADHM COCc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000187777964 334272952 /nfs/dbraw/zinc/27/29/52/334272952.db2.gz GHTQVECPMSJPMM-UHFFFAOYSA-N -1 3 313.382 3.537 20 0 DHADHM CCSc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccn1 ZINC000048919224 334302635 /nfs/dbraw/zinc/30/26/35/334302635.db2.gz KSOQPHNBLALRND-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cccc(Cl)c1Cl ZINC000049282554 334324603 /nfs/dbraw/zinc/32/46/03/334324603.db2.gz NBYRCZOJLBTXKL-SNVBAGLBSA-N -1 3 320.241 3.628 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000534917760 334346550 /nfs/dbraw/zinc/34/65/50/334346550.db2.gz VVSBJMHSYNSRKN-CYBMUJFWSA-N -1 3 317.772 3.802 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000111688806 334353831 /nfs/dbraw/zinc/35/38/31/334353831.db2.gz QCFDFTFWTTUBMR-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000049945840 334359645 /nfs/dbraw/zinc/35/96/45/334359645.db2.gz SLWDZIXSYYOLAX-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000532017787 334373567 /nfs/dbraw/zinc/37/35/67/334373567.db2.gz VXTZWLYINZCKTD-OAHLLOKOSA-N -1 3 317.429 3.566 20 0 DHADHM O=c1[n-]c(-c2ccc(OC(F)F)cn2)nc2ccc(Cl)cc12 ZINC000342662273 334564321 /nfs/dbraw/zinc/56/43/21/334564321.db2.gz PHEDLCLXFVHSOK-UHFFFAOYSA-N -1 3 323.686 3.652 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000343076730 334597821 /nfs/dbraw/zinc/59/78/21/334597821.db2.gz GMVBOCRSFWGWOB-HOTGVXAUSA-N -1 3 304.349 3.683 20 0 DHADHM Cc1ccc(CC(C)(C)NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000416276901 334659124 /nfs/dbraw/zinc/65/91/24/334659124.db2.gz NQOOPDGFRLEACR-UHFFFAOYSA-N -1 3 315.388 3.520 20 0 DHADHM O=c1cc(CNc2ccccc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC000417006248 334689801 /nfs/dbraw/zinc/68/98/01/334689801.db2.gz SEBGSCIJYHNRKC-UHFFFAOYSA-N -1 3 309.291 3.691 20 0 DHADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000331194957 334845133 /nfs/dbraw/zinc/84/51/33/334845133.db2.gz SZLQLLQKKMDKRH-MFKMUULPSA-N -1 3 317.307 3.555 20 0 DHADHM Cc1cc(Br)cc(NC(=O)c2cccc([O-])c2)c1 ZINC000189213114 334886568 /nfs/dbraw/zinc/88/65/68/334886568.db2.gz BGDNGKJTSISCMM-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1cc(F)c(S(=O)(=O)[N-]c2ccsc2Cl)cc1F ZINC000189742772 334910178 /nfs/dbraw/zinc/91/01/78/334910178.db2.gz YEUZKINAUIJPRU-UHFFFAOYSA-N -1 3 323.773 3.789 20 0 DHADHM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000444256946 338470595 /nfs/dbraw/zinc/47/05/95/338470595.db2.gz BPGSLIGUYUBXDW-MWLCHTKSSA-N -1 3 309.793 3.626 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000343889606 335203928 /nfs/dbraw/zinc/20/39/28/335203928.db2.gz SDHZLKRKZYRUCS-UHFFFAOYSA-N -1 3 315.222 3.524 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000344043864 335211820 /nfs/dbraw/zinc/21/18/20/335211820.db2.gz AJIIIWCPTGSADQ-UHFFFAOYSA-N -1 3 318.764 3.685 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCCCC[C@@H]2c2ccc(C)o2)n1 ZINC000344407681 335246593 /nfs/dbraw/zinc/24/65/93/335246593.db2.gz OQDFVYGHTSPJGJ-OAHLLOKOSA-N -1 3 315.417 3.763 20 0 DHADHM C[C@@H]1Cc2ccccc2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344760154 335275799 /nfs/dbraw/zinc/27/57/99/335275799.db2.gz RTKKXSBTEXQTOK-CYBMUJFWSA-N -1 3 313.372 3.832 20 0 DHADHM CC(C)OCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000345181647 335305545 /nfs/dbraw/zinc/30/55/45/335305545.db2.gz BZMKFMTUJAPGAD-UHFFFAOYSA-N -1 3 305.296 3.555 20 0 DHADHM CC(C)Oc1c(F)cc(NC(=O)c2cccc([O-])c2)cc1F ZINC000345317233 335316539 /nfs/dbraw/zinc/31/65/39/335316539.db2.gz KSWHDTNVFWQDGI-UHFFFAOYSA-N -1 3 307.296 3.710 20 0 DHADHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cccc([O-])c2)c1 ZINC000345429736 335325741 /nfs/dbraw/zinc/32/57/41/335325741.db2.gz RNYNEQWXDWWLQS-ACJLOTCBSA-N -1 3 311.381 3.624 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc2[n-]1 ZINC000345610245 335340442 /nfs/dbraw/zinc/34/04/42/335340442.db2.gz KGEGGYPBBQXJAY-ZDUSSCGKSA-N -1 3 323.396 3.795 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2[n-]1 ZINC000345610245 335340443 /nfs/dbraw/zinc/34/04/43/335340443.db2.gz KGEGGYPBBQXJAY-ZDUSSCGKSA-N -1 3 323.396 3.795 20 0 DHADHM CSc1nnc(NC(=O)c2ccc(C(C)C)c(Cl)c2)[n-]1 ZINC000345652748 335343735 /nfs/dbraw/zinc/34/37/35/335343735.db2.gz DBYPTIPLIJNADI-UHFFFAOYSA-N -1 3 310.810 3.556 20 0 DHADHM CSc1n[n-]c(NC(=O)c2ccc(C(C)C)c(Cl)c2)n1 ZINC000345652748 335343737 /nfs/dbraw/zinc/34/37/37/335343737.db2.gz DBYPTIPLIJNADI-UHFFFAOYSA-N -1 3 310.810 3.556 20 0 DHADHM CSc1nc(NC(=O)c2ccc(C(C)C)c(Cl)c2)n[n-]1 ZINC000345652748 335343738 /nfs/dbraw/zinc/34/37/38/335343738.db2.gz DBYPTIPLIJNADI-UHFFFAOYSA-N -1 3 310.810 3.556 20 0 DHADHM Cc1ccc([O-])c(NC(=O)CCCOc2ccccc2Cl)n1 ZINC000345926237 335361347 /nfs/dbraw/zinc/36/13/47/335361347.db2.gz AOMDNIYQJMRXFR-UHFFFAOYSA-N -1 3 320.776 3.547 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccc(C(F)(F)F)c2F)n1 ZINC000345934859 335362020 /nfs/dbraw/zinc/36/20/20/335362020.db2.gz IUXLYYXLIWJMSI-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1cc(O)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345950775 335363401 /nfs/dbraw/zinc/36/34/01/335363401.db2.gz KSBJLNSISBNZDQ-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM CCOc1nc2cc(C(=O)N(CC)Cc3ccccc3)ccc2[n-]1 ZINC000346029707 335366871 /nfs/dbraw/zinc/36/68/71/335366871.db2.gz KDCQCYZYSXCRGH-UHFFFAOYSA-N -1 3 323.396 3.624 20 0 DHADHM CCOc1nc2ccc(C(=O)N(CC)Cc3ccccc3)cc2[n-]1 ZINC000346029707 335366873 /nfs/dbraw/zinc/36/68/73/335366873.db2.gz KDCQCYZYSXCRGH-UHFFFAOYSA-N -1 3 323.396 3.624 20 0 DHADHM Cc1ncc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000346809387 335442587 /nfs/dbraw/zinc/44/25/87/335442587.db2.gz PMDJLBVHXAXSPJ-GOSISDBHSA-N -1 3 323.371 3.509 20 0 DHADHM Cc1ncc(CN[C@H](C)c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000346812030 335443141 /nfs/dbraw/zinc/44/31/41/335443141.db2.gz VXNQJILJGJUPQL-ZCFIWIBFSA-N -1 3 318.229 3.710 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348107861 335554208 /nfs/dbraw/zinc/55/42/08/335554208.db2.gz JEPFEVNJOWLHLP-UHFFFAOYSA-N -1 3 310.275 3.605 20 0 DHADHM CSc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000349138387 335639163 /nfs/dbraw/zinc/63/91/63/335639163.db2.gz CGYXQKOWEPWPCU-UHFFFAOYSA-N -1 3 307.802 3.698 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1sccc1F ZINC000349202521 335641482 /nfs/dbraw/zinc/64/14/82/335641482.db2.gz OZEMLEXBOOGZDX-UHFFFAOYSA-N -1 3 321.251 3.744 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(-c3cnco3)cc2)c1[O-] ZINC000094019224 335699284 /nfs/dbraw/zinc/69/92/84/335699284.db2.gz GZZHKLCLJJFLBA-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccccc2)ns1 ZINC000535659963 335708552 /nfs/dbraw/zinc/70/85/52/335708552.db2.gz RIVFTZIUDIOVQM-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1cc(F)cc(Cl)c1 ZINC000535893059 335798688 /nfs/dbraw/zinc/79/86/88/335798688.db2.gz XETITTCSQAMKST-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM Cc1ccc2c(Cc3noc(-c4ccccc4[O-])n3)cn(C)c2c1 ZINC000445623896 338502965 /nfs/dbraw/zinc/50/29/65/338502965.db2.gz KDESQGNIAHINCV-UHFFFAOYSA-N -1 3 319.364 3.833 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3Cl)[n-]2)o1 ZINC000191959703 336013417 /nfs/dbraw/zinc/01/34/17/336013417.db2.gz DQFKDEFRRHDUFO-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)cc3Cl)n2)o1 ZINC000191959703 336013419 /nfs/dbraw/zinc/01/34/19/336013419.db2.gz DQFKDEFRRHDUFO-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)cc3Cl)n[n-]2)o1 ZINC000191959703 336013421 /nfs/dbraw/zinc/01/34/21/336013421.db2.gz DQFKDEFRRHDUFO-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM CO[C@@](C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000192183926 336018324 /nfs/dbraw/zinc/01/83/24/336018324.db2.gz FBSAJCQNXWMIOO-MRXNPFEDSA-N -1 3 323.751 3.685 20 0 DHADHM O=C(N[C@H](c1ccccc1)C(F)F)c1cc([O-])ccc1Cl ZINC000351528993 336040768 /nfs/dbraw/zinc/04/07/68/336040768.db2.gz HOSTXXSHBCHHTN-CYBMUJFWSA-N -1 3 311.715 3.782 20 0 DHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ccc2n[n-]nc2c1 ZINC000351530174 336041009 /nfs/dbraw/zinc/04/10/09/336041009.db2.gz RIRZMKRJMKNZML-KRWDZBQOSA-N -1 3 320.396 3.619 20 0 DHADHM [O-]c1ccc(F)c(CN(C[C@@H]2CCCO2)C2CCCC2)c1F ZINC000351660241 336055531 /nfs/dbraw/zinc/05/55/31/336055531.db2.gz BHIKWTMPDYDDRM-ZDUSSCGKSA-N -1 3 311.372 3.594 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3c(F)cc(F)cc3C2)c1F ZINC000351713510 336061727 /nfs/dbraw/zinc/06/17/27/336061727.db2.gz RKLUFOZQNREZFW-UHFFFAOYSA-N -1 3 311.278 3.507 20 0 DHADHM O=C([N-]c1cc(F)ccc1F)c1csc(C(F)(F)F)n1 ZINC000351737808 336063705 /nfs/dbraw/zinc/06/37/05/336063705.db2.gz JRWYZNSHABKHMO-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM COc1ccc(NC(=O)c2cc3c(s2)CCCC3)c([O-])c1 ZINC000332206384 336162964 /nfs/dbraw/zinc/16/29/64/336162964.db2.gz UKUXBKWBGVFSBM-UHFFFAOYSA-N -1 3 303.383 3.593 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000351983452 336185810 /nfs/dbraw/zinc/18/58/10/336185810.db2.gz SALHKCBEDIQXOC-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM CCO[C@H](C)c1nc(CN(C)Cc2cc([O-])cc(F)c2)cs1 ZINC000352005078 336187812 /nfs/dbraw/zinc/18/78/12/336187812.db2.gz XTZDDCCMSLZEAX-LLVKDONJSA-N -1 3 324.421 3.717 20 0 DHADHM COc1cccc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)c1 ZINC000352022439 336189731 /nfs/dbraw/zinc/18/97/31/336189731.db2.gz OTTMZWHLTDPWGB-GOSISDBHSA-N -1 3 301.361 3.877 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]1c1cccnc1 ZINC000333050535 336197371 /nfs/dbraw/zinc/19/73/71/336197371.db2.gz LBTQZLWWAVFFAF-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM Cc1ccc2sc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2c1 ZINC000352291301 336210545 /nfs/dbraw/zinc/21/05/45/336210545.db2.gz AJIQBUIXOGLOCO-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccc2sc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2c1 ZINC000352291301 336210546 /nfs/dbraw/zinc/21/05/46/336210546.db2.gz AJIQBUIXOGLOCO-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1ccc2sc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2c1 ZINC000352291301 336210547 /nfs/dbraw/zinc/21/05/47/336210547.db2.gz AJIQBUIXOGLOCO-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCc3ccccc3C2)c1[O-] ZINC000580369800 336260992 /nfs/dbraw/zinc/26/09/92/336260992.db2.gz FDCCDVDNQZOXDB-AWEZNQCLSA-N -1 3 323.392 3.729 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1[O-] ZINC000123720275 336264574 /nfs/dbraw/zinc/26/45/74/336264574.db2.gz WOZIEXSMAHFUSC-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532838655 336272623 /nfs/dbraw/zinc/27/26/23/336272623.db2.gz ULZWSAUXMLPNBX-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C2 ZINC000532837934 336272637 /nfs/dbraw/zinc/27/26/37/336272637.db2.gz TZPXIIHWGTYMQK-INIZCTEOSA-N -1 3 317.772 3.605 20 0 DHADHM Fc1cccnc1C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301777583 336329094 /nfs/dbraw/zinc/32/90/94/336329094.db2.gz HGGWJZSTLFHTBS-UHFFFAOYSA-N -1 3 304.712 3.536 20 0 DHADHM COc1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1[O-] ZINC000352996580 336381508 /nfs/dbraw/zinc/38/15/08/336381508.db2.gz HWWAZKNYFXYBLA-GOSISDBHSA-N -1 3 323.392 3.768 20 0 DHADHM O=C(NCC1CCC(F)(F)CC1)c1cc([O-])ccc1Cl ZINC000353035596 336385036 /nfs/dbraw/zinc/38/50/36/336385036.db2.gz DPOZUBQFXAQPAA-UHFFFAOYSA-N -1 3 303.736 3.601 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c([O-])c1 ZINC000024860312 336386732 /nfs/dbraw/zinc/38/67/32/336386732.db2.gz OSBUHLHOBLMOIN-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc2cc[nH]c2n1 ZINC000354598107 336476250 /nfs/dbraw/zinc/47/62/50/336476250.db2.gz AFVUIXPHARJISZ-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1Cc2cccc(Cl)c2C1 ZINC000354850223 336484909 /nfs/dbraw/zinc/48/49/09/336484909.db2.gz OOKSXPYZLMUSGS-UHFFFAOYSA-N -1 3 308.164 3.855 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000355000361 336490969 /nfs/dbraw/zinc/49/09/69/336490969.db2.gz KVCQEJBHFSJGBK-UHFFFAOYSA-N -1 3 315.247 3.753 20 0 DHADHM CC[C@@H](CSC)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355533813 336513347 /nfs/dbraw/zinc/51/33/47/336513347.db2.gz RZRGXBWOQFOUCQ-AWEZNQCLSA-N -1 3 303.427 3.759 20 0 DHADHM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000357433376 336585057 /nfs/dbraw/zinc/58/50/57/336585057.db2.gz AREOGSVZWNSLBX-ZFWWWQNUSA-N -1 3 321.298 3.697 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](Cc2ccccn2)c2ccccc2)c1 ZINC000359134186 336659443 /nfs/dbraw/zinc/65/94/43/336659443.db2.gz YDSQBJQXKXTDBZ-FQEVSTJZSA-N -1 3 322.383 4.000 20 0 DHADHM COc1ccc(C(=O)N(C2CC2)C2CCC(C)CC2)c([O-])c1 ZINC000193249667 336691715 /nfs/dbraw/zinc/69/17/15/336691715.db2.gz GHDNFJJJMDZVNB-UHFFFAOYSA-N -1 3 303.402 3.584 20 0 DHADHM Cc1nc(-c2ccccc2C)sc1C(=O)[N-]c1nncs1 ZINC000360557902 336714551 /nfs/dbraw/zinc/71/45/51/336714551.db2.gz YBJHCGGFLFSNBW-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cccnc1Cl ZINC000360874051 336725207 /nfs/dbraw/zinc/72/52/07/336725207.db2.gz ZOERYSZSSUGDFX-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnnc(-c2ccccc2)c1 ZINC000362071997 336783862 /nfs/dbraw/zinc/78/38/62/336783862.db2.gz YWGFWWMHMPSGAI-UHFFFAOYSA-N -1 3 320.352 3.570 20 0 DHADHM O=C(CCCOc1cccc2ccccc21)Nc1ncccc1[O-] ZINC000302936435 336930202 /nfs/dbraw/zinc/93/02/02/336930202.db2.gz JLKJZCAAQNIKQP-UHFFFAOYSA-N -1 3 322.364 3.738 20 0 DHADHM Cc1cnc([C@H]2CCCCN2C(=O)c2ccc(C)cc2[O-])s1 ZINC000373166880 336950355 /nfs/dbraw/zinc/95/03/55/336950355.db2.gz ORAQIICTLAUTPQ-CQSZACIVSA-N -1 3 316.426 3.833 20 0 DHADHM CCOc1cc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)ccc1[O-] ZINC000373216018 336953169 /nfs/dbraw/zinc/95/31/69/336953169.db2.gz MBDWGULIGZXUCU-RYUDHWBXSA-N -1 3 312.325 3.705 20 0 DHADHM Cc1ccc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)c([O-])c1 ZINC000373374637 336958650 /nfs/dbraw/zinc/95/86/50/336958650.db2.gz BODPROLCBCBNQP-GFCCVEGCSA-N -1 3 317.772 3.859 20 0 DHADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373439550 336960319 /nfs/dbraw/zinc/96/03/19/336960319.db2.gz ADKKQMAHJBJOPP-ZFWWWQNUSA-N -1 3 316.426 3.647 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCc2c1cccc2F ZINC000122622976 337016835 /nfs/dbraw/zinc/01/68/35/337016835.db2.gz NWQGXWDCRMIJBY-MRXNPFEDSA-N -1 3 319.763 3.531 20 0 DHADHM O=c1cc(CN2CCC[C@@H]2C2CC2)c2cc(Cl)c([O-])cc2o1 ZINC000375699762 337017097 /nfs/dbraw/zinc/01/70/97/337017097.db2.gz XCWHLEIRFJDOPA-CQSZACIVSA-N -1 3 319.788 3.526 20 0 DHADHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1c(F)ccc(F)c1F ZINC000122770955 337023821 /nfs/dbraw/zinc/02/38/21/337023821.db2.gz RJFBFBLCVPNXAJ-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1CCC1CCCCC1 ZINC000376830284 337042192 /nfs/dbraw/zinc/04/21/92/337042192.db2.gz XRRBIHJHFHPYJA-ZDUSSCGKSA-N -1 3 308.447 3.814 20 0 DHADHM CC[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(F)cc1F ZINC000193538752 337077943 /nfs/dbraw/zinc/07/79/43/337077943.db2.gz UFZJBWSEEWXZJP-LBPRGKRZSA-N -1 3 312.341 3.718 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1[O-] ZINC000193699825 337079120 /nfs/dbraw/zinc/07/91/20/337079120.db2.gz UGFALLVOEFLMGK-MRXNPFEDSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000426758529 337083152 /nfs/dbraw/zinc/08/31/52/337083152.db2.gz SNLWJXJNCKKVSI-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000582717775 337124573 /nfs/dbraw/zinc/12/45/73/337124573.db2.gz QCJCCVYFPVISBY-UHFFFAOYSA-N -1 3 300.305 3.936 20 0 DHADHM Cc1ccc(C(C)(C)CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000582730791 337126674 /nfs/dbraw/zinc/12/66/74/337126674.db2.gz SPTZDWOTEYGSJT-UHFFFAOYSA-N -1 3 301.386 3.696 20 0 DHADHM CCc1nnc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)o1 ZINC000173314908 337134623 /nfs/dbraw/zinc/13/46/23/337134623.db2.gz DXFLEHZRLSOCTE-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n(C)n1 ZINC000175280684 337146594 /nfs/dbraw/zinc/14/65/94/337146594.db2.gz GUSRHBDLPGWRIG-UHFFFAOYSA-N -1 3 315.417 3.799 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2scnc2c1 ZINC000178233960 337161529 /nfs/dbraw/zinc/16/15/29/337161529.db2.gz IPPZOOKPPMPOIL-UHFFFAOYSA-N -1 3 318.785 3.837 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCc2cc(F)ccc21 ZINC000178261301 337161808 /nfs/dbraw/zinc/16/18/08/337161808.db2.gz IBUFMCZQJHWGFH-INIZCTEOSA-N -1 3 319.763 3.531 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000181957357 337185476 /nfs/dbraw/zinc/18/54/76/337185476.db2.gz DVJTXVHLMQDAMJ-SJKOYZFVSA-N -1 3 311.381 3.913 20 0 DHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc([O-])c1 ZINC000182010938 337185694 /nfs/dbraw/zinc/18/56/94/337185694.db2.gz DHCHJCGPCWWDQM-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM CN(CCc1cccc2ccccc21)C(=O)c1cccc([O-])c1 ZINC000182282358 337187915 /nfs/dbraw/zinc/18/79/15/337187915.db2.gz GDPCGIWZLMPEMB-UHFFFAOYSA-N -1 3 305.377 3.860 20 0 DHADHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc([O-])c1 ZINC000182558455 337188811 /nfs/dbraw/zinc/18/88/11/337188811.db2.gz UKFXXQQMYCKJGD-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM Cc1ccnc(Oc2ccc(NC(=O)c3cccc([O-])c3)cc2)n1 ZINC000182583863 337189103 /nfs/dbraw/zinc/18/91/03/337189103.db2.gz WCCTYRNVYXKMSV-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1cccc([C@H](NC(=O)c2cccc([O-])c2)c2ccccn2)c1 ZINC000182957895 337190963 /nfs/dbraw/zinc/19/09/63/337190963.db2.gz AYQRXASJJOJDJG-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM Cc1cccc([O-])c1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000183046754 337191150 /nfs/dbraw/zinc/19/11/50/337191150.db2.gz CUZLQXKIZLDMHQ-UHFFFAOYSA-N -1 3 314.366 3.598 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cnc(-c2ccco2)s1 ZINC000183047191 337191156 /nfs/dbraw/zinc/19/11/56/337191156.db2.gz JIVJESJADKKAAN-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM Cc1ccccc1OCCCC(=O)Nc1ccc([O-])cc1F ZINC000183249716 337192496 /nfs/dbraw/zinc/19/24/96/337192496.db2.gz DJHGPLGUCUFFNE-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000183267233 337192553 /nfs/dbraw/zinc/19/25/53/337192553.db2.gz JVXOKIVVNAJGCP-NWDGAFQWSA-N -1 3 307.271 3.552 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000183273373 337192687 /nfs/dbraw/zinc/19/26/87/337192687.db2.gz LLLWMYGJWFUFLC-WDEREUQCSA-N -1 3 307.271 3.552 20 0 DHADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccoc1 ZINC000186098666 337254536 /nfs/dbraw/zinc/25/45/36/337254536.db2.gz WTDYKTIBSHJAGO-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(C(F)(F)F)n1 ZINC000189208419 337277409 /nfs/dbraw/zinc/27/74/09/337277409.db2.gz RZYODHHYEBDSKX-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CCc1c(NC(=O)c2cccc([O-])c2)cnn1-c1cccc(C)c1 ZINC000192150775 337303374 /nfs/dbraw/zinc/30/33/74/337303374.db2.gz GVOOXGGRFNAPQQ-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(c3cccc(F)c3F)CC2)n1 ZINC000583727515 337319237 /nfs/dbraw/zinc/31/92/37/337319237.db2.gz BJPXGGFNTPQVQI-UHFFFAOYSA-N -1 3 318.367 3.753 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000235666274 337326641 /nfs/dbraw/zinc/32/66/41/337326641.db2.gz UFRYTTWHLUNCMN-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM Cc1oc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2c1C ZINC000583821198 337338981 /nfs/dbraw/zinc/33/89/81/337338981.db2.gz BUTCDQYKOHWLBA-UHFFFAOYSA-N -1 3 323.352 3.675 20 0 DHADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)cc1F ZINC000583877578 337369147 /nfs/dbraw/zinc/36/91/47/337369147.db2.gz PYMBRJIJHIHAQN-MRXNPFEDSA-N -1 3 319.351 3.655 20 0 DHADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)c(OC(C)C)c1 ZINC000190915979 337397242 /nfs/dbraw/zinc/39/72/42/337397242.db2.gz LBTWWFCCVJOURW-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cncc(-c2ccccc2)c1 ZINC000124600085 337406218 /nfs/dbraw/zinc/40/62/18/337406218.db2.gz RIDAKUAKHMIERP-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM CC(C)Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000049486451 337438634 /nfs/dbraw/zinc/43/86/34/337438634.db2.gz XFCVTYQXYWYGDK-UHFFFAOYSA-N -1 3 310.806 3.953 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2ncccc2c1 ZINC000136200772 337453858 /nfs/dbraw/zinc/45/38/58/337453858.db2.gz LJTDPMRUAVRCEJ-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM Cc1cc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c(C)o1 ZINC000136223593 337453949 /nfs/dbraw/zinc/45/39/49/337453949.db2.gz XSEIFWATIGAFNM-SNVBAGLBSA-N -1 3 307.777 3.675 20 0 DHADHM Cc1cc2c([n-]c(COc3ccc(Cl)cc3)nc2=O)s1 ZINC000194400583 337462503 /nfs/dbraw/zinc/46/25/03/337462503.db2.gz NRJWRLFEMOKZQE-UHFFFAOYSA-N -1 3 306.774 3.525 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1cc(F)c(F)c(F)c1F ZINC000066280543 337527812 /nfs/dbraw/zinc/52/78/12/337527812.db2.gz JMKXGFFMLSFSGW-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1[O-] ZINC000069692938 337545922 /nfs/dbraw/zinc/54/59/22/337545922.db2.gz WEHVIELFSZZNSS-UHFFFAOYSA-N -1 3 300.745 3.708 20 0 DHADHM O=C([O-])C1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000262712388 337620748 /nfs/dbraw/zinc/62/07/48/337620748.db2.gz QEKOKCWRJXFYEM-UHFFFAOYSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1ccc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c([O-])c1 ZINC000527659105 337756737 /nfs/dbraw/zinc/75/67/37/337756737.db2.gz OAALNOFWATXQGA-JCURWCKSSA-N -1 3 313.784 3.878 20 0 DHADHM Cc1ccc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)c([O-])c1 ZINC000445435056 337815418 /nfs/dbraw/zinc/81/54/18/337815418.db2.gz DMWJNCLEAQQWGX-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3CCC[C@H](F)C3)n2)ccc1[O-] ZINC000424360703 337826200 /nfs/dbraw/zinc/82/62/00/337826200.db2.gz STXYRIGAVPVPOE-NEPJUHHUSA-N -1 3 306.337 3.837 20 0 DHADHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159527 337832026 /nfs/dbraw/zinc/83/20/26/337832026.db2.gz HESKLMYPKPIOHW-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533160019 337832175 /nfs/dbraw/zinc/83/21/75/337832175.db2.gz JOIGVNRBYZXEIM-ZDUSSCGKSA-N -1 3 304.777 3.875 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000119482203 337861086 /nfs/dbraw/zinc/86/10/86/337861086.db2.gz CFFXCJFNYXYWBO-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc([C@H]2CCCO2)s1 ZINC000089773833 337873521 /nfs/dbraw/zinc/87/35/21/337873521.db2.gz RLHMOIHGVMEJFU-LLVKDONJSA-N -1 3 324.789 3.606 20 0 DHADHM CCn1nc(C)c(NCc2cc([O-])ccc2Br)c1C ZINC000092568005 337905804 /nfs/dbraw/zinc/90/58/04/337905804.db2.gz DCFIZVGDHQLHJN-UHFFFAOYSA-N -1 3 324.222 3.600 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 ZINC000122615988 337922875 /nfs/dbraw/zinc/92/28/75/337922875.db2.gz QEDJPEHDXRQGAU-QGZVFWFLSA-N -1 3 312.413 3.797 20 0 DHADHM [O-]c1cccc2ccc(/C=C/c3cccc4c3OCCO4)nc12 ZINC000515606588 337994450 /nfs/dbraw/zinc/99/44/50/337994450.db2.gz CPDOLZOTUZLKLQ-CSKARUKUSA-N -1 3 305.333 3.882 20 0 DHADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000516412336 338012545 /nfs/dbraw/zinc/01/25/45/338012545.db2.gz PQTOKAOMMCMMFF-UHFFFAOYSA-N -1 3 319.426 3.975 20 0 DHADHM Cc1nsc(C)c1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000426630357 338036515 /nfs/dbraw/zinc/03/65/15/338036515.db2.gz IZXXOUSPTPMRIH-UHFFFAOYSA-N -1 3 321.789 3.760 20 0 DHADHM CC[C@H](CNCc1csc(-c2ccc(C)cc2)n1)CC(=O)[O-] ZINC000426644974 338036802 /nfs/dbraw/zinc/03/68/02/338036802.db2.gz YPBFQJCVGSGOCO-ZDUSSCGKSA-N -1 3 318.442 3.709 20 0 DHADHM CC[C@@H](CNCc1csc(-c2ccc(C)cc2)n1)CC(=O)[O-] ZINC000426644972 338036828 /nfs/dbraw/zinc/03/68/28/338036828.db2.gz YPBFQJCVGSGOCO-CYBMUJFWSA-N -1 3 318.442 3.709 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CNCC[C@@H](C)CC(=O)[O-])o1 ZINC000426651821 338037148 /nfs/dbraw/zinc/03/71/48/338037148.db2.gz PGCZXSMJVLJZCA-GFCCVEGCSA-N -1 3 319.376 3.985 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000426655015 338037270 /nfs/dbraw/zinc/03/72/70/338037270.db2.gz BGSQBOVHNCEKJW-ZDUSSCGKSA-N -1 3 318.442 3.933 20 0 DHADHM O=C([O-])[C@H](CNCc1ccccc1F)Cc1cccc(Cl)c1 ZINC000426676666 338037784 /nfs/dbraw/zinc/03/77/84/338037784.db2.gz FPHRXVKGTKQXMQ-AWEZNQCLSA-N -1 3 321.779 3.512 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC000426687505 338038050 /nfs/dbraw/zinc/03/80/50/338038050.db2.gz QVHQYVGEZWEQGN-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1ccc([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cc1 ZINC000426685674 338038111 /nfs/dbraw/zinc/03/81/11/338038111.db2.gz JQIJASQLRWSZHM-OAHLLOKOSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426686872 338038129 /nfs/dbraw/zinc/03/81/29/338038129.db2.gz OQXPDKKNTUGBFH-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1ccc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000426709829 338038733 /nfs/dbraw/zinc/03/87/33/338038733.db2.gz FQLZEOXTWULPRN-ZDUSSCGKSA-N -1 3 307.777 3.590 20 0 DHADHM CSc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000426720396 338039187 /nfs/dbraw/zinc/03/91/87/338039187.db2.gz MPTNZFXBAOYSCD-KRWDZBQOSA-N -1 3 315.438 3.941 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000426722108 338039205 /nfs/dbraw/zinc/03/92/05/338039205.db2.gz GAIOBZZOJHTYAM-CQSZACIVSA-N -1 3 310.180 3.909 20 0 DHADHM CC1([C@H](NCc2cc(Cl)ccc2F)C(=O)[O-])CCCCC1 ZINC000426730579 338039565 /nfs/dbraw/zinc/03/95/65/338039565.db2.gz LQKJJXHBMCFTHW-CQSZACIVSA-N -1 3 313.800 3.992 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2ccccc2)n1 ZINC000426734920 338039824 /nfs/dbraw/zinc/03/98/24/338039824.db2.gz BYMHFBQUPHCMIW-WMLDXEAASA-N -1 3 316.426 3.543 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2ccccc2)n1 ZINC000426734919 338039845 /nfs/dbraw/zinc/03/98/45/338039845.db2.gz BYMHFBQUPHCMIW-RHSMWYFYSA-N -1 3 316.426 3.543 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1coc2ccccc12)c1ccccc1 ZINC000426755282 338040854 /nfs/dbraw/zinc/04/08/54/338040854.db2.gz YAEUUKHGKNYOQQ-FZKQIMNGSA-N -1 3 309.365 3.984 20 0 DHADHM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426755651 338040858 /nfs/dbraw/zinc/04/08/58/338040858.db2.gz DUSVQMXCIPKYDO-SFHVURJKSA-N -1 3 313.397 3.536 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCCCC[C@@H]2C(=O)[O-])cs1 ZINC000426758668 338041002 /nfs/dbraw/zinc/04/10/02/338041002.db2.gz JAKBPZDHWLXLKB-KBPBESRZSA-N -1 3 324.490 3.954 20 0 DHADHM Cc1ncn(-c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)c1C ZINC000428597091 338056916 /nfs/dbraw/zinc/05/69/16/338056916.db2.gz KSZXBSXGGVCIEX-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000430279476 338104043 /nfs/dbraw/zinc/10/40/43/338104043.db2.gz TUNFJJAZZBRYME-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM COC(=O)c1cc(-c2nc(-c3cccc4ccccc43)no2)c[n-]1 ZINC000430893412 338118314 /nfs/dbraw/zinc/11/83/14/338118314.db2.gz FQKZFGVAFBQXGH-UHFFFAOYSA-N -1 3 319.320 3.672 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(C)c1 ZINC000431145357 338124028 /nfs/dbraw/zinc/12/40/28/338124028.db2.gz GXROAZKEUMQAHN-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC000431525684 338133187 /nfs/dbraw/zinc/13/31/87/338133187.db2.gz QHZUVJHNVRWANI-CQSZACIVSA-N -1 3 315.800 3.893 20 0 DHADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000431584060 338134155 /nfs/dbraw/zinc/13/41/55/338134155.db2.gz UTUGXWPPJGBOFU-UHFFFAOYSA-N -1 3 307.818 3.582 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)cc1 ZINC000431610155 338134691 /nfs/dbraw/zinc/13/46/91/338134691.db2.gz PVLCYECUOZQZAA-MRXNPFEDSA-N -1 3 319.788 3.935 20 0 DHADHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431750720 338137934 /nfs/dbraw/zinc/13/79/34/338137934.db2.gz BOXPAAQONHFILE-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000431858881 338140290 /nfs/dbraw/zinc/14/02/90/338140290.db2.gz LTLNQYAWWQZMAD-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM Cc1cnc([C@@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)s1 ZINC000431859805 338140299 /nfs/dbraw/zinc/14/02/99/338140299.db2.gz SLUJWMBRGKMABZ-ZDUSSCGKSA-N -1 3 322.817 3.692 20 0 DHADHM Cc1cnc([C@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)s1 ZINC000431859804 338140315 /nfs/dbraw/zinc/14/03/15/338140315.db2.gz SLUJWMBRGKMABZ-CYBMUJFWSA-N -1 3 322.817 3.692 20 0 DHADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(OC)cc1 ZINC000431892430 338141125 /nfs/dbraw/zinc/14/11/25/338141125.db2.gz TZWHOPKVPCCGQV-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM O=c1ccnc(C(=Cc2cc(F)cc(F)c2)Cc2ccccc2)[n-]1 ZINC000432692845 338163230 /nfs/dbraw/zinc/16/32/30/338163230.db2.gz GDWOPDLYZZOBNP-OQLLNIDSSA-N -1 3 324.330 3.831 20 0 DHADHM O=c1ccnc(C(=CC=Cc2ccncc2)Cc2ccccc2)[n-]1 ZINC000432705909 338163592 /nfs/dbraw/zinc/16/35/92/338163592.db2.gz HTVUYGWBFVWMHG-UOWZEBRGSA-N -1 3 315.376 3.917 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433297591 338190053 /nfs/dbraw/zinc/19/00/53/338190053.db2.gz LTDRVIGQNVWRRY-GXTWGEPZSA-N -1 3 317.820 3.695 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(COC(C)C)cc2)c1[O-] ZINC000194293845 338191045 /nfs/dbraw/zinc/19/10/45/338191045.db2.gz SBMVZKMNNKFBIG-UHFFFAOYSA-N -1 3 315.369 3.578 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(CC1CCC1)CC(F)(F)F ZINC000433370917 338193971 /nfs/dbraw/zinc/19/39/71/338193971.db2.gz JXRCQJSNWUWFFE-UHFFFAOYSA-N -1 3 321.726 3.850 20 0 DHADHM O=[S@@](Cc1nc(-c2ccccc2)cs1)c1cccc([O-])c1 ZINC000435429547 338239919 /nfs/dbraw/zinc/23/99/19/338239919.db2.gz XQWPXYMPOWCRAW-NRFANRHFSA-N -1 3 315.419 3.824 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000435731554 338246679 /nfs/dbraw/zinc/24/66/79/338246679.db2.gz KWYVSOGYSDRJAI-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CCc1occc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000435826034 338250473 /nfs/dbraw/zinc/25/04/73/338250473.db2.gz KJSAJIDYRQECDK-UHFFFAOYSA-N -1 3 315.247 3.699 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)ccc1[O-] ZINC000435938074 338253697 /nfs/dbraw/zinc/25/36/97/338253697.db2.gz QMAMGEPKHHIEHB-DZGCQCFKSA-N -1 3 313.372 3.906 20 0 DHADHM O=C(NCC1CCCC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436064431 338257102 /nfs/dbraw/zinc/25/71/02/338257102.db2.gz GMLBFRAZBXDQQP-UHFFFAOYSA-N -1 3 323.392 3.543 20 0 DHADHM CCOc1cc(-c2noc(-c3sccc3F)n2)ccc1[O-] ZINC000436522485 338275066 /nfs/dbraw/zinc/27/50/66/338275066.db2.gz VFNIKIRIOOHFTP-UHFFFAOYSA-N -1 3 306.318 3.709 20 0 DHADHM CC[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1nccs1 ZINC000436527806 338275386 /nfs/dbraw/zinc/27/53/86/338275386.db2.gz JJAHRCFONUZOJG-CQSZACIVSA-N -1 3 316.426 3.609 20 0 DHADHM Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(C)c2[O-])sc1C ZINC000436527983 338275394 /nfs/dbraw/zinc/27/53/94/338275394.db2.gz JTKCMRNGNJLYEQ-UHFFFAOYSA-N -1 3 318.442 3.747 20 0 DHADHM COc1ccccc1CC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436531362 338275475 /nfs/dbraw/zinc/27/54/75/338275475.db2.gz HJNDWEWGRMJKJO-UHFFFAOYSA-N -1 3 324.380 3.971 20 0 DHADHM CC(C)CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)C ZINC000436531723 338275523 /nfs/dbraw/zinc/27/55/23/338275523.db2.gz DONAMWCMLNGIJR-UHFFFAOYSA-N -1 3 305.418 3.612 20 0 DHADHM Cc1ccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)c([O-])c1C ZINC000436534605 338275654 /nfs/dbraw/zinc/27/56/54/338275654.db2.gz LROHQQMKCAUFNX-PBHICJAKSA-N -1 3 319.445 3.580 20 0 DHADHM CC(C)[C@H](C)N(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000436534737 338275746 /nfs/dbraw/zinc/27/57/46/338275746.db2.gz PRQLGFXYYDFCNL-ZDUSSCGKSA-N -1 3 301.430 3.920 20 0 DHADHM Cc1ccc(C(=O)NCc2nc3ccccc3n2C(C)C)c([O-])c1 ZINC000436540829 338276095 /nfs/dbraw/zinc/27/60/95/338276095.db2.gz XXRDUWMXDNJSFS-UHFFFAOYSA-N -1 3 323.396 3.561 20 0 DHADHM CC[C@H]1COCCN1C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436544892 338276232 /nfs/dbraw/zinc/27/62/32/338276232.db2.gz AEOCTLMAQFJYQT-HNNXBMFYSA-N -1 3 319.445 3.890 20 0 DHADHM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C(C)C)c([O-])c1 ZINC000436545138 338276326 /nfs/dbraw/zinc/27/63/26/338276326.db2.gz LGQSGJJWIZCYOM-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000436545693 338276535 /nfs/dbraw/zinc/27/65/35/338276535.db2.gz ODWZSVPYRMBVRL-JQWIXIFHSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)c([O-])c1C ZINC000436556109 338276892 /nfs/dbraw/zinc/27/68/92/338276892.db2.gz ORWYOBDWHMKEFU-UHFFFAOYSA-N -1 3 301.773 3.865 20 0 DHADHM CCOc1c(F)cccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436568755 338277466 /nfs/dbraw/zinc/27/74/66/338277466.db2.gz ZCOZWJKIFYISRO-UHFFFAOYSA-N -1 3 300.289 3.647 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436570921 338277605 /nfs/dbraw/zinc/27/76/05/338277605.db2.gz SUSSCKGUCFLVKY-HUUCEWRRSA-N -1 3 309.409 3.854 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC000436575147 338277900 /nfs/dbraw/zinc/27/79/00/338277900.db2.gz NPNMFHOQRLEYHW-HUUCEWRRSA-N -1 3 309.409 3.711 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)c([O-])c1 ZINC000436575515 338277980 /nfs/dbraw/zinc/27/79/80/338277980.db2.gz NUBWUTLGVWTXOT-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000436575752 338277984 /nfs/dbraw/zinc/27/79/84/338277984.db2.gz NKIAJBABNNYOEX-RDJZCZTQSA-N -1 3 309.409 3.794 20 0 DHADHM O=C(c1ccccc1[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000436579763 338278224 /nfs/dbraw/zinc/27/82/24/338278224.db2.gz ANJJYAVWLKKDBP-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM Cc1cccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC000436588007 338278492 /nfs/dbraw/zinc/27/84/92/338278492.db2.gz QYDSBOMDSXHTGP-RYUDHWBXSA-N -1 3 315.335 3.799 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1ccc(C)cc1[O-])CCCC2 ZINC000436587989 338278515 /nfs/dbraw/zinc/27/85/15/338278515.db2.gz YSNQGVDMMOSCIK-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000436588008 338278581 /nfs/dbraw/zinc/27/85/81/338278581.db2.gz QYDSBOMDSXHTGP-VXGBXAGGSA-N -1 3 315.335 3.799 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000436584377 338278595 /nfs/dbraw/zinc/27/85/95/338278595.db2.gz LYBPTAJUTIOJAI-ROUUACIJSA-N -1 3 321.420 3.855 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436588131 338278613 /nfs/dbraw/zinc/27/86/13/338278613.db2.gz HFGYFTCFOVCCJC-GDBMZVCRSA-N -1 3 319.445 3.793 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1C ZINC000436588301 338278744 /nfs/dbraw/zinc/27/87/44/338278744.db2.gz SKZFKCHTZDRAJH-HUUCEWRRSA-N -1 3 305.443 3.509 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(=Cc2ccccc2F)CC1 ZINC000436589982 338278790 /nfs/dbraw/zinc/27/87/90/338278790.db2.gz XOFXKINTJHMDGO-UHFFFAOYSA-N -1 3 311.356 3.851 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436591636 338279026 /nfs/dbraw/zinc/27/90/26/338279026.db2.gz QXKAVHWKJAQBQA-HNNXBMFYSA-N -1 3 301.773 3.941 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1C ZINC000436595919 338279064 /nfs/dbraw/zinc/27/90/64/338279064.db2.gz NYOXMJQCRTVYOH-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM CS[C@H]1CCCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436598054 338279248 /nfs/dbraw/zinc/27/92/48/338279248.db2.gz XTIOGWUOHXPARD-HNNXBMFYSA-N -1 3 319.470 3.629 20 0 DHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436597229 338279320 /nfs/dbraw/zinc/27/93/20/338279320.db2.gz UKJIVXQHHDSOFX-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436623238 338280231 /nfs/dbraw/zinc/28/02/31/338280231.db2.gz DJWHDMQBHFMQDD-AWEZNQCLSA-N -1 3 313.397 3.754 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CCOc2ccccc2)c([O-])c1 ZINC000436627404 338280536 /nfs/dbraw/zinc/28/05/36/338280536.db2.gz VYFQHUCVGGZNBI-UHFFFAOYSA-N -1 3 313.397 3.667 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436632552 338280645 /nfs/dbraw/zinc/28/06/45/338280645.db2.gz WUFWAMDPBOOXRB-MRXNPFEDSA-N -1 3 311.381 3.517 20 0 DHADHM CCc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)c([O-])c1 ZINC000436657646 338281842 /nfs/dbraw/zinc/28/18/42/338281842.db2.gz VZCFWRHDZTWDDH-UHFFFAOYSA-N -1 3 320.392 3.565 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c([O-])c1 ZINC000436656943 338281850 /nfs/dbraw/zinc/28/18/50/338281850.db2.gz SHAGYHOIASOEJZ-GOSISDBHSA-N -1 3 307.349 3.813 20 0 DHADHM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436657200 338281943 /nfs/dbraw/zinc/28/19/43/338281943.db2.gz KTPOZNJUPBXFQV-DYVFJYSZSA-N -1 3 311.381 3.711 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000436665668 338282209 /nfs/dbraw/zinc/28/22/09/338282209.db2.gz RVIGPFTYHDJCDM-AWEZNQCLSA-N -1 3 317.429 3.833 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(-c3ncco3)c2C)c1[O-] ZINC000436673268 338282287 /nfs/dbraw/zinc/28/22/87/338282287.db2.gz DQIRKUWFJYXIPP-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1ccc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c([O-])c1 ZINC000436683357 338282566 /nfs/dbraw/zinc/28/25/66/338282566.db2.gz ZSVVQIMVLCQKGR-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)c1ccc(OC)cc1[O-] ZINC000436688229 338283030 /nfs/dbraw/zinc/28/30/30/338283030.db2.gz KAUIDCUUZZMATF-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N1Cc2ccccc2CO1 ZINC000436729376 338284561 /nfs/dbraw/zinc/28/45/61/338284561.db2.gz AAVGROAOSZWOSF-UHFFFAOYSA-N -1 3 311.381 3.912 20 0 DHADHM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(O)cc1[O-] ZINC000436732152 338284634 /nfs/dbraw/zinc/28/46/34/338284634.db2.gz OZYOMEWNFAUQTA-LSDHHAIUSA-N -1 3 311.381 3.554 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436739676 338284807 /nfs/dbraw/zinc/28/48/07/338284807.db2.gz OZPQPSZQWREBNV-INIZCTEOSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)c([O-])c1 ZINC000436739091 338284837 /nfs/dbraw/zinc/28/48/37/338284837.db2.gz PGXWKUPDBZDVCQ-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(F)ccc2OC(C)C)c([O-])c1 ZINC000436747118 338285152 /nfs/dbraw/zinc/28/51/52/338285152.db2.gz JWWDOPVJZZORBN-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(C)cc2Cl)c1[O-] ZINC000436747272 338285172 /nfs/dbraw/zinc/28/51/72/338285172.db2.gz MNLJQOAXIZGGDU-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436753209 338285597 /nfs/dbraw/zinc/28/55/97/338285597.db2.gz CRPNKBHQRFHZJG-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c([O-])c1C ZINC000436757011 338285702 /nfs/dbraw/zinc/28/57/02/338285702.db2.gz SJYSELIRCLJISX-LBPRGKRZSA-N -1 3 301.411 3.830 20 0 DHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCC1 ZINC000436758652 338286073 /nfs/dbraw/zinc/28/60/73/338286073.db2.gz ZJDIFYNUMLQRLQ-UHFFFAOYSA-N -1 3 309.409 3.998 20 0 DHADHM Cc1cccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000436760186 338286109 /nfs/dbraw/zinc/28/61/09/338286109.db2.gz NJUXHZLJTRWAGE-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436761240 338286135 /nfs/dbraw/zinc/28/61/35/338286135.db2.gz XFLKMTTVHPNUMT-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM CCOc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436767078 338286384 /nfs/dbraw/zinc/28/63/84/338286384.db2.gz DXYRFNOZJBGYJO-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM [O-]c1ccc(-c2noc(CCCOCCc3ccccc3)n2)cc1 ZINC000436769412 338286549 /nfs/dbraw/zinc/28/65/49/338286549.db2.gz NOIGXHIXQDEJKU-UHFFFAOYSA-N -1 3 324.380 3.634 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3coc(-c4ccccc4)n3)n2)cc1 ZINC000436770310 338286805 /nfs/dbraw/zinc/28/68/05/338286805.db2.gz QMYMWDCSEOZPJE-UHFFFAOYSA-N -1 3 319.320 3.688 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(F)(F)C1 ZINC000436777876 338286878 /nfs/dbraw/zinc/28/68/78/338286878.db2.gz OSQHMRGIVZHLRT-UHFFFAOYSA-N -1 3 319.307 3.666 20 0 DHADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436776527 338287034 /nfs/dbraw/zinc/28/70/34/338287034.db2.gz JUCBTIWOJRQRIA-UHFFFAOYSA-N -1 3 319.351 3.950 20 0 DHADHM COc1cc(-c2noc(-c3ccc(F)c(C)c3)n2)ccc1[O-] ZINC000436785377 338287303 /nfs/dbraw/zinc/28/73/03/338287303.db2.gz OXEWCZVHILTDCE-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1ccc(C(=O)N(C)C/C(C)=C/c2ccccc2)c([O-])c1 ZINC000436805534 338288058 /nfs/dbraw/zinc/28/80/58/338288058.db2.gz FHERWEQXDFGUNN-SDNWHVSQSA-N -1 3 311.381 3.576 20 0 DHADHM CCc1ccc(C(=O)NCCc2csc(C(C)C)n2)c([O-])c1 ZINC000436818963 338288445 /nfs/dbraw/zinc/28/84/45/338288445.db2.gz GWPHYVXYKYDZTC-UHFFFAOYSA-N -1 3 318.442 3.507 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)c([O-])c1C ZINC000436820335 338288554 /nfs/dbraw/zinc/28/85/54/338288554.db2.gz HACDIKMUHNSKHD-JTQLQIEISA-N -1 3 303.324 3.860 20 0 DHADHM CCCC[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436822089 338288616 /nfs/dbraw/zinc/28/86/16/338288616.db2.gz RMGDDHZTBSTKBG-GFCCVEGCSA-N -1 3 305.418 3.756 20 0 DHADHM CC(C)c1ccc(C(=O)NCCCc2ccc(O)cc2)c([O-])c1 ZINC000436828241 338288757 /nfs/dbraw/zinc/28/87/57/338288757.db2.gz XRBJFCYAFIFOOT-UHFFFAOYSA-N -1 3 313.397 3.584 20 0 DHADHM CCc1ccc(C(=O)NC2(c3nc(C)cs3)CCC2)c([O-])c1 ZINC000436832278 338289075 /nfs/dbraw/zinc/28/90/75/338289075.db2.gz INZNQTAJBYCYFZ-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436834163 338289112 /nfs/dbraw/zinc/28/91/12/338289112.db2.gz OADSVGDKPUOEKQ-CYBMUJFWSA-N -1 3 317.429 3.614 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3cccc(OC)c3)C2)c([O-])c1 ZINC000436836429 338289207 /nfs/dbraw/zinc/28/92/07/338289207.db2.gz DRJHVYATZFSILQ-UHFFFAOYSA-N -1 3 323.392 3.503 20 0 DHADHM CCc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c([O-])c1 ZINC000436838440 338289272 /nfs/dbraw/zinc/28/92/72/338289272.db2.gz KQLDTRPLZZKVAZ-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)c([O-])c1 ZINC000436839192 338289542 /nfs/dbraw/zinc/28/95/42/338289542.db2.gz NCHREQVVURZDAM-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436840137 338289549 /nfs/dbraw/zinc/28/95/49/338289549.db2.gz WDZDHEAKWCELJL-IEBWSBKVSA-N -1 3 321.420 3.998 20 0 DHADHM CC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436845780 338289647 /nfs/dbraw/zinc/28/96/47/338289647.db2.gz UQWIJMFDUBYJSK-CYBMUJFWSA-N -1 3 317.429 3.758 20 0 DHADHM CCc1ccc([C@H]2CCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436850552 338289846 /nfs/dbraw/zinc/28/98/46/338289846.db2.gz IJQNSDCVNWRQPJ-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM CCc1ccc([C@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436852150 338289873 /nfs/dbraw/zinc/28/98/73/338289873.db2.gz NVCWULPRBCZUFE-SFHVURJKSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1[C@H](C)C1CC1 ZINC000436854217 338290098 /nfs/dbraw/zinc/29/00/98/338290098.db2.gz GDKAEOFSRDMVPB-SNVBAGLBSA-N -1 3 319.792 3.774 20 0 DHADHM CC[C@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436858093 338290168 /nfs/dbraw/zinc/29/01/68/338290168.db2.gz DGNKWNYBDOQUND-KRWDZBQOSA-N -1 3 309.409 3.802 20 0 DHADHM CCN(CC(C)(C)O)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436871407 338290828 /nfs/dbraw/zinc/29/08/28/338290828.db2.gz SKHBWYZEABRQQV-UHFFFAOYSA-N -1 3 321.461 3.872 20 0 DHADHM Cc1cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)ccc1[O-] ZINC000436871558 338290879 /nfs/dbraw/zinc/29/08/79/338290879.db2.gz QIWAALLWIQJBJD-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3C[C@]3(C)C(C)C)n2)ccc1[O-] ZINC000436879282 338291380 /nfs/dbraw/zinc/29/13/80/338291380.db2.gz WUPHKMMROAUBSN-YVEFUNNKSA-N -1 3 302.374 3.991 20 0 DHADHM CCOc1cc(-c2noc([C@H]3C[C@]3(C)C(C)C)n2)ccc1[O-] ZINC000436879280 338291412 /nfs/dbraw/zinc/29/14/12/338291412.db2.gz WUPHKMMROAUBSN-SJKOYZFVSA-N -1 3 302.374 3.991 20 0 DHADHM Cc1ncccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436887263 338291877 /nfs/dbraw/zinc/29/18/77/338291877.db2.gz WLUBFKBSCLWBKQ-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM COc1ccc([C@@H](NC(=O)c2ccc([O-])c(C)c2)C2CC2)cc1 ZINC000436898246 338292470 /nfs/dbraw/zinc/29/24/70/338292470.db2.gz XERDPXZMAGCKJE-SFHVURJKSA-N -1 3 311.381 3.590 20 0 DHADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc([O-])c(C)c1 ZINC000436904116 338292960 /nfs/dbraw/zinc/29/29/60/338292960.db2.gz VODQHXRMVCLWKK-UHFFFAOYSA-N -1 3 315.388 3.935 20 0 DHADHM CCOc1ncccc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436911897 338293027 /nfs/dbraw/zinc/29/30/27/338293027.db2.gz BMQFACFUFVGWJD-UHFFFAOYSA-N -1 3 311.341 3.520 20 0 DHADHM CCSCc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436914199 338293201 /nfs/dbraw/zinc/29/32/01/338293201.db2.gz IRCYKQFBRCOOKR-UHFFFAOYSA-N -1 3 317.410 3.906 20 0 DHADHM COc1ccc(C(=O)N2CCC(C)(CC(C)C)CC2)c([O-])c1 ZINC000436923510 338293564 /nfs/dbraw/zinc/29/35/64/338293564.db2.gz UCQXWTXJYGPHFS-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2NC(C)C)ccc1[O-] ZINC000436927209 338293861 /nfs/dbraw/zinc/29/38/61/338293861.db2.gz NERIKPBCSWYOBN-UHFFFAOYSA-N -1 3 302.349 3.912 20 0 DHADHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436925516 338293891 /nfs/dbraw/zinc/29/38/91/338293891.db2.gz GQJTYYMIYAPUER-OAHLLOKOSA-N -1 3 313.397 3.515 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1F ZINC000436927678 338293895 /nfs/dbraw/zinc/29/38/95/338293895.db2.gz OMWOANLZTKQVDV-OAHLLOKOSA-N -1 3 305.324 3.860 20 0 DHADHM Cc1cccc(-c2nc(-c3cncc4ccccc43)no2)c1[O-] ZINC000436934907 338294352 /nfs/dbraw/zinc/29/43/52/338294352.db2.gz UQZAPGMOPRNXKF-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2cccc(OC(C)C)c2)ccc1[O-] ZINC000436935917 338294427 /nfs/dbraw/zinc/29/44/27/338294427.db2.gz DXKLVLSTUUYLEO-UHFFFAOYSA-N -1 3 313.397 3.760 20 0 DHADHM Cc1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1[O-] ZINC000436938430 338294591 /nfs/dbraw/zinc/29/45/91/338294591.db2.gz LCMSZSHEHGBIHY-UHFFFAOYSA-N -1 3 313.397 3.633 20 0 DHADHM COc1ccc([C@@H](C)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436938111 338294615 /nfs/dbraw/zinc/29/46/15/338294615.db2.gz KDZCJSBMLNSXIW-AWEZNQCLSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436940499 338294816 /nfs/dbraw/zinc/29/48/16/338294816.db2.gz BABNDQCFXFLUMV-SFHVURJKSA-N -1 3 309.409 3.856 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2sccc2C1 ZINC000436943385 338295073 /nfs/dbraw/zinc/29/50/73/338295073.db2.gz FNYSFRPBIZZOTA-UHFFFAOYSA-N -1 3 313.422 3.531 20 0 DHADHM Cc1ccc(-c2nc(CCCc3ccsc3)no2)c([O-])c1 ZINC000436951453 338295446 /nfs/dbraw/zinc/29/54/46/338295446.db2.gz SBCGPLLMUSPZSR-UHFFFAOYSA-N -1 3 300.383 3.987 20 0 DHADHM COc1ccc(C2(c3nc(-c4ccc([O-])cc4)no3)CCC2)cc1 ZINC000436951845 338295479 /nfs/dbraw/zinc/29/54/79/338295479.db2.gz SOSMFTVZNSHZMQ-UHFFFAOYSA-N -1 3 322.364 3.921 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c([O-])c1 ZINC000436953682 338295730 /nfs/dbraw/zinc/29/57/30/338295730.db2.gz RDRDFOZRBDPJJI-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1ccc(C(=O)N2CC=C(c3ccccc3C)C2)c([O-])c1C ZINC000436957281 338295838 /nfs/dbraw/zinc/29/58/38/338295838.db2.gz TXXXDDUHVQXJDX-UHFFFAOYSA-N -1 3 307.393 3.857 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC(C)(C)CC2)c([O-])c1 ZINC000436973862 338296499 /nfs/dbraw/zinc/29/64/99/338296499.db2.gz VNQGEILZIGXPMG-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC(CC)CC2)c([O-])c1 ZINC000436979133 338296553 /nfs/dbraw/zinc/29/65/53/338296553.db2.gz KRCYJXNDNQTEGM-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436987436 338296826 /nfs/dbraw/zinc/29/68/26/338296826.db2.gz IYQDCANLNBZHLW-FRRDWIJNSA-N -1 3 317.429 3.612 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c([O-])c1 ZINC000436988400 338296881 /nfs/dbraw/zinc/29/68/81/338296881.db2.gz OZLLWZCOWJQWPN-OAHLLOKOSA-N -1 3 317.429 3.999 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436991642 338297015 /nfs/dbraw/zinc/29/70/15/338297015.db2.gz RUJJLSUYYPAUMN-ZWNOBZJWSA-N -1 3 315.335 3.929 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc([O-])c1 ZINC000437326884 338307156 /nfs/dbraw/zinc/30/71/56/338307156.db2.gz SDDIUSGUKAOYTB-DZGCQCFKSA-N -1 3 322.191 3.985 20 0 DHADHM Cc1cc(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)ccc1[O-] ZINC000437507927 338312021 /nfs/dbraw/zinc/31/20/21/338312021.db2.gz NWFVIYBIYQNJAR-SAZUREKKSA-N -1 3 317.335 3.655 20 0 DHADHM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)CCC2CC2)s1 ZINC000437659914 338317582 /nfs/dbraw/zinc/31/75/82/338317582.db2.gz YWOZSSRIMVDUQS-UHFFFAOYSA-N -1 3 322.455 3.660 20 0 DHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000438719085 338351159 /nfs/dbraw/zinc/35/11/59/338351159.db2.gz FEDRJNHQSVKJBN-UHFFFAOYSA-N -1 3 319.426 3.641 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438880542 338354655 /nfs/dbraw/zinc/35/46/55/338354655.db2.gz ISLSABJWBGKNBN-NEPJUHHUSA-N -1 3 323.179 3.836 20 0 DHADHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C2 ZINC000439096134 338360882 /nfs/dbraw/zinc/36/08/82/338360882.db2.gz LZMUVFWZQQPECC-MRXNPFEDSA-N -1 3 317.772 3.605 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1[O-] ZINC000572485961 338382705 /nfs/dbraw/zinc/38/27/05/338382705.db2.gz HXVLQNJJFXJMQG-HUUCEWRRSA-N -1 3 301.386 3.750 20 0 DHADHM CC1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000440397308 338386717 /nfs/dbraw/zinc/38/67/17/338386717.db2.gz KFTFJPNNJKPZBC-UHFFFAOYSA-N -1 3 309.818 3.572 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)ns1)c1cc(C2CC2)no1 ZINC000440609669 338392249 /nfs/dbraw/zinc/39/22/49/338392249.db2.gz DXTURXLCXJAUSB-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM O=C([N-]c1nc2cc(F)c(F)cc2s1)c1cc(C2CC2)no1 ZINC000440743139 338396440 /nfs/dbraw/zinc/39/64/40/338396440.db2.gz XQRVIHXIUKINPM-UHFFFAOYSA-N -1 3 321.308 3.692 20 0 DHADHM CC(C)N(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448645650 338399409 /nfs/dbraw/zinc/39/94/09/338399409.db2.gz ARKMFGCXPHKZBQ-UHFFFAOYSA-N -1 3 301.361 3.511 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442241891 338422969 /nfs/dbraw/zinc/42/29/69/338422969.db2.gz MBLBETMTGLCJMN-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)c1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)c([O-])c1 ZINC000442683601 338427651 /nfs/dbraw/zinc/42/76/51/338427651.db2.gz WAMYSQGYOZTCGK-AAEUAGOBSA-N -1 3 302.374 3.706 20 0 DHADHM Cc1ccc([O-])c(CN2CC(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000449670371 338645276 /nfs/dbraw/zinc/64/52/76/338645276.db2.gz XILDZRYRRPDZIH-UHFFFAOYSA-N -1 3 322.330 3.714 20 0 DHADHM C[C@H]1Cc2cccc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)c2O1 ZINC000450942930 338713763 /nfs/dbraw/zinc/71/37/63/338713763.db2.gz VMOVJKZNVWUOIR-OLZOCXBDSA-N -1 3 323.392 3.870 20 0 DHADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452528363 338770167 /nfs/dbraw/zinc/77/01/67/338770167.db2.gz NSGMQJGULCCRGA-QWRGUYRKSA-N -1 3 315.335 3.967 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)C(C)C ZINC000452756578 338777575 /nfs/dbraw/zinc/77/75/75/338777575.db2.gz PEIFVKDFAHZGJV-QMMMGPOBSA-N -1 3 300.196 3.694 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000456139028 338920232 /nfs/dbraw/zinc/92/02/32/338920232.db2.gz XPAVQUNKWWQZED-CMPLNLGQSA-N -1 3 315.335 3.758 20 0 DHADHM CCc1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)ccc1[O-] ZINC000456558422 338934139 /nfs/dbraw/zinc/93/41/39/338934139.db2.gz GHZKKEJRVPNQGS-QGZVFWFLSA-N -1 3 311.381 3.915 20 0 DHADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)c1ccc(F)cc1 ZINC000459306127 339020766 /nfs/dbraw/zinc/02/07/66/339020766.db2.gz PXODUKLEFJWWSI-LBPRGKRZSA-N -1 3 315.392 3.782 20 0 DHADHM CSCC[C@@H](C)N(C)Cc1cccc([O-])c1Br ZINC000459347976 339023470 /nfs/dbraw/zinc/02/34/70/339023470.db2.gz QHUZKJRCCREXSV-SNVBAGLBSA-N -1 3 318.280 3.728 20 0 DHADHM CSCC[C@H](C)N(C)Cc1cccc([O-])c1Br ZINC000459347975 339023491 /nfs/dbraw/zinc/02/34/91/339023491.db2.gz QHUZKJRCCREXSV-JTQLQIEISA-N -1 3 318.280 3.728 20 0 DHADHM CSc1ccc([C@@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459430679 339028839 /nfs/dbraw/zinc/02/88/39/339028839.db2.gz JGUNAHFAAQCLKC-LLVKDONJSA-N -1 3 315.442 3.632 20 0 DHADHM [O-]c1cccc(CNC[C@@H]2CCC(F)(F)C2)c1Br ZINC000459515807 339033661 /nfs/dbraw/zinc/03/36/61/339033661.db2.gz RMZQLGYSBCSMTJ-SECBINFHSA-N -1 3 320.177 3.680 20 0 DHADHM CC[C@H](CSC)N(C)Cc1cccc([O-])c1Br ZINC000459549667 339035195 /nfs/dbraw/zinc/03/51/95/339035195.db2.gz GBGIYGPOHKFXHF-LLVKDONJSA-N -1 3 318.280 3.728 20 0 DHADHM O=S(=O)([N-]CCCCF)c1c(Cl)ccc2ccccc21 ZINC000462132843 339072794 /nfs/dbraw/zinc/07/27/94/339072794.db2.gz RSYZDBSTNNCLNV-UHFFFAOYSA-N -1 3 315.797 3.521 20 0 DHADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462463438 339079399 /nfs/dbraw/zinc/07/93/99/339079399.db2.gz LKKAMLGYDDGBFE-UHFFFAOYSA-N -1 3 323.380 3.597 20 0 DHADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462700789 339084424 /nfs/dbraw/zinc/08/44/24/339084424.db2.gz CLVKAIHYJHGKFQ-NXEZZACHSA-N -1 3 307.818 3.582 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c1 ZINC000466548399 339209064 /nfs/dbraw/zinc/20/90/64/339209064.db2.gz OONIXBHXBBKJNJ-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cccc(C)c2C)n1 ZINC000468273200 339258383 /nfs/dbraw/zinc/25/83/83/339258383.db2.gz TXSVYKDKVOXHAQ-KRWDZBQOSA-N -1 3 311.429 3.699 20 0 DHADHM CCN(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468539760 339265699 /nfs/dbraw/zinc/26/56/99/339265699.db2.gz FBIOHBHPIJOAJB-UHFFFAOYSA-N -1 3 315.388 3.903 20 0 DHADHM Cc1ccc(F)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468589388 339266788 /nfs/dbraw/zinc/26/67/88/339266788.db2.gz UFUZUGHEIVHCLG-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000468605448 339267029 /nfs/dbraw/zinc/26/70/29/339267029.db2.gz ACEHSABTZIPNLO-RDJZCZTQSA-N -1 3 313.372 3.526 20 0 DHADHM Cc1cc(F)cc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468828379 339271988 /nfs/dbraw/zinc/27/19/88/339271988.db2.gz FLIUPDBXPCZSPO-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM CC[C@H]1CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468861913 339273026 /nfs/dbraw/zinc/27/30/26/339273026.db2.gz GTCSTRWXKXVWKE-GOEBONIOSA-N -1 3 307.409 3.939 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000468903358 339274160 /nfs/dbraw/zinc/27/41/60/339274160.db2.gz JMKORBDCIONVNK-UHFFFAOYSA-N -1 3 317.410 3.509 20 0 DHADHM CC(C)CCO[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000468946356 339275553 /nfs/dbraw/zinc/27/55/53/339275553.db2.gz JGTFZDWBBJCWSN-UONOGXRCSA-N -1 3 305.418 3.684 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2[n-]1 ZINC000468968381 339276243 /nfs/dbraw/zinc/27/62/43/339276243.db2.gz ORLAHMRMHUJUSP-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3ccc(F)cc3C)ccc2[n-]1 ZINC000468968381 339276244 /nfs/dbraw/zinc/27/62/44/339276244.db2.gz ORLAHMRMHUJUSP-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2Cl)c([O-])c1 ZINC000469065381 339279061 /nfs/dbraw/zinc/27/90/61/339279061.db2.gz WXAPJQASDAKMSG-UHFFFAOYSA-N -1 3 311.168 3.842 20 0 DHADHM Cc1cccc2c1N(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000469216976 339283339 /nfs/dbraw/zinc/28/33/39/339283339.db2.gz QKUDIQPEIFWHNP-UHFFFAOYSA-N -1 3 313.372 3.752 20 0 DHADHM CCC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469297922 339285401 /nfs/dbraw/zinc/28/54/01/339285401.db2.gz HVNXIEVCGIVKTK-HNNXBMFYSA-N -1 3 307.409 3.893 20 0 DHADHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000469370631 339287213 /nfs/dbraw/zinc/28/72/13/339287213.db2.gz CGSBSSYZVRRDQE-UHFFFAOYSA-N -1 3 321.417 3.967 20 0 DHADHM CC1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469378176 339287377 /nfs/dbraw/zinc/28/73/77/339287377.db2.gz BNGNZXJUYISOSA-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)c2c(O)cccc21 ZINC000469889475 339303903 /nfs/dbraw/zinc/30/39/03/339303903.db2.gz OVQUOFDYERHRPQ-SNVBAGLBSA-N -1 3 317.772 3.905 20 0 DHADHM CC(=O)Nc1ccc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1 ZINC000470255492 339315406 /nfs/dbraw/zinc/31/54/06/339315406.db2.gz PSWZZVMSZNOXTM-JXMROGBWSA-N -1 3 311.385 3.609 20 0 DHADHM CCCCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)c1ccccc1 ZINC000471949896 339358160 /nfs/dbraw/zinc/35/81/60/339358160.db2.gz ZHEAGANHEWYFEK-LBPRGKRZSA-N -1 3 304.415 3.852 20 0 DHADHM CC(C)(CF)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000472941298 339379380 /nfs/dbraw/zinc/37/93/80/339379380.db2.gz GJEOQNJQTQKRBC-UHFFFAOYSA-N -1 3 321.826 3.581 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000473354000 339384438 /nfs/dbraw/zinc/38/44/38/339384438.db2.gz HYNAGRSLOJQMJT-UHFFFAOYSA-N -1 3 324.475 3.842 20 0 DHADHM O=C(NCc1ncccc1[O-])C1(C2CCCCC2)CCCCC1 ZINC000473627910 339389068 /nfs/dbraw/zinc/38/90/68/339389068.db2.gz CNNBGUAPNBPLNH-UHFFFAOYSA-N -1 3 316.445 3.934 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000473650284 339389552 /nfs/dbraw/zinc/38/95/52/339389552.db2.gz RZELSKIPVIWGOW-PBHICJAKSA-N -1 3 313.372 3.906 20 0 DHADHM CCC[C@@H]([N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000476933756 339483206 /nfs/dbraw/zinc/48/32/06/339483206.db2.gz NXHYQQFPZUTTCO-CYBMUJFWSA-N -1 3 301.477 3.775 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCC(F)(F)C1 ZINC000480325031 339569143 /nfs/dbraw/zinc/56/91/43/339569143.db2.gz HFQGVDKZCUVEFS-ZETCQYMHSA-N -1 3 309.234 3.785 20 0 DHADHM CC(C)=CCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000481011677 339592816 /nfs/dbraw/zinc/59/28/16/339592816.db2.gz WVLGFDGSUVSUOI-UHFFFAOYSA-N -1 3 323.392 3.709 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C[C@H]3CC=CCC3)c(=O)c2c1 ZINC000483448681 339666205 /nfs/dbraw/zinc/66/62/05/339666205.db2.gz WPDYGHOYHFSBFU-HNNXBMFYSA-N -1 3 324.424 3.573 20 0 DHADHM CCc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1[O-] ZINC000485465127 339703904 /nfs/dbraw/zinc/70/39/04/339703904.db2.gz UBVRBFXHEPILNP-UHFFFAOYSA-N -1 3 302.399 3.542 20 0 DHADHM CCc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1[O-] ZINC000485556160 339705653 /nfs/dbraw/zinc/70/56/53/339705653.db2.gz FXUKODDVSITWCX-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM CCc1cc(C(=O)NCc2cc(Cl)ccc2OC)ccc1[O-] ZINC000485608742 339707215 /nfs/dbraw/zinc/70/72/15/339707215.db2.gz OGOGLJWSXXEXOE-UHFFFAOYSA-N -1 3 319.788 3.547 20 0 DHADHM CCc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486007895 339718411 /nfs/dbraw/zinc/71/84/11/339718411.db2.gz QVSCWKMJGWTLKQ-FPLPWBNLSA-N -1 3 303.365 3.565 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3cc(F)cc(F)c3)no2)c(Cl)c1 ZINC000486079102 339720341 /nfs/dbraw/zinc/72/03/41/339720341.db2.gz LPGURILMRWLPBC-UHFFFAOYSA-N -1 3 322.698 3.965 20 0 DHADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486102144 339721136 /nfs/dbraw/zinc/72/11/36/339721136.db2.gz CHYRBZQHNQVXSJ-ZWNOBZJWSA-N -1 3 317.307 3.555 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3cccs3)s2)n1 ZINC000486129725 339721807 /nfs/dbraw/zinc/72/18/07/339721807.db2.gz YOHIXEQBNHKTLK-PLNGDYQASA-N -1 3 301.396 3.846 20 0 DHADHM CCc1cc(C(=O)Nc2ccccc2-n2nccc2C)ccc1[O-] ZINC000487012766 339742306 /nfs/dbraw/zinc/74/23/06/339742306.db2.gz KSRUYQCZZPZXID-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM COc1cc(C)cnc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000489770273 339818123 /nfs/dbraw/zinc/81/81/23/339818123.db2.gz PCBWENMRRMALOQ-UHFFFAOYSA-N -1 3 312.703 3.583 20 0 DHADHM CN(Cc1ccc2ccccc2c1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492344452 339898218 /nfs/dbraw/zinc/89/82/18/339898218.db2.gz VNPGCNFBOAONKD-CLFYSBASSA-N -1 3 318.376 3.612 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)ccc1[O-] ZINC000499696709 340042870 /nfs/dbraw/zinc/04/28/70/340042870.db2.gz PYOYMIAWIFVBJQ-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM Cc1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)ccc1[O-] ZINC000499836736 340045620 /nfs/dbraw/zinc/04/56/20/340045620.db2.gz HHTXIAPLQRHJSG-UHFFFAOYSA-N -1 3 301.361 3.547 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000500100299 340050183 /nfs/dbraw/zinc/05/01/83/340050183.db2.gz RXCMWDMTOYRVLQ-BREBYQMCSA-N -1 3 319.829 3.582 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000505379414 340167521 /nfs/dbraw/zinc/16/75/21/340167521.db2.gz KCPBYYPJUHYFPI-ZBTGYSDGSA-N -1 3 323.392 3.719 20 0 DHADHM C[C@@H]1C[C@@]1(NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000505759810 340176860 /nfs/dbraw/zinc/17/68/60/340176860.db2.gz GPEVELHTGBYTGO-DIFFPNOSSA-N -1 3 301.773 3.711 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)n1C ZINC000506223069 340189306 /nfs/dbraw/zinc/18/93/06/340189306.db2.gz HSCGLHUUQUWVOQ-UHFFFAOYSA-N -1 3 300.402 3.897 20 0 DHADHM COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccc1O ZINC000506247878 340190033 /nfs/dbraw/zinc/19/00/33/340190033.db2.gz JATTVIMXXMYPKN-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701905 340199892 /nfs/dbraw/zinc/19/98/92/340199892.db2.gz HKDIMHHSWQRLBT-DTWKUNHWSA-N -1 3 300.196 3.775 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(c3ccc(O)cc3)CC2)c1F ZINC000507084229 340206904 /nfs/dbraw/zinc/20/69/04/340206904.db2.gz YGKSQCYQPWTTCU-UHFFFAOYSA-N -1 3 319.351 3.756 20 0 DHADHM CCN(Cc1ccc(OC)cc1)Cc1c(F)ccc([O-])c1F ZINC000507245945 340215541 /nfs/dbraw/zinc/21/55/41/340215541.db2.gz FTPWFJSZTMTILO-UHFFFAOYSA-N -1 3 307.340 3.701 20 0 DHADHM CC[C@H](CNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000402483523 340239063 /nfs/dbraw/zinc/23/90/63/340239063.db2.gz RMQNDWBYXBCDNI-QMMMGPOBSA-N -1 3 309.715 3.754 20 0 DHADHM Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[O-] ZINC000301197699 340248170 /nfs/dbraw/zinc/24/81/70/340248170.db2.gz MZIQSIOYEBJTGH-UHFFFAOYSA-N -1 3 309.409 3.796 20 0 DHADHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000508788345 340253118 /nfs/dbraw/zinc/25/31/18/340253118.db2.gz FIVRLHNDKNWUPL-CQSZACIVSA-N -1 3 313.444 3.797 20 0 DHADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc([O-])c1 ZINC000508976057 340256712 /nfs/dbraw/zinc/25/67/12/340256712.db2.gz CZORNUHDBKGCOW-OAHLLOKOSA-N -1 3 303.789 3.797 20 0 DHADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cccc([O-])c1 ZINC000509014323 340258336 /nfs/dbraw/zinc/25/83/36/340258336.db2.gz ITSNJVLCXJAMAZ-CQSZACIVSA-N -1 3 313.397 3.808 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000509142529 340262212 /nfs/dbraw/zinc/26/22/12/340262212.db2.gz VWZVHEHHWYJEES-YRGRVCCFSA-N -1 3 307.821 3.673 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2cc(-c3ccco3)on2)n1 ZINC000509233395 340264214 /nfs/dbraw/zinc/26/42/14/340264214.db2.gz KGBKRVDEKRIFSE-UHFFFAOYSA-N -1 3 317.370 3.941 20 0 DHADHM C[C@H](OCCCNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000509698607 340277452 /nfs/dbraw/zinc/27/74/52/340277452.db2.gz PHLWTMDDOHOPOU-ZDUSSCGKSA-N -1 3 321.367 3.928 20 0 DHADHM CC(C)[C@@H](CNCc1c(F)ccc([O-])c1F)Nc1ccccc1 ZINC000509771004 340278702 /nfs/dbraw/zinc/27/87/02/340278702.db2.gz DEDQMVXBTMPTOV-MRXNPFEDSA-N -1 3 320.383 3.897 20 0 DHADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)ccc1[O-] ZINC000509811545 340279959 /nfs/dbraw/zinc/27/99/59/340279959.db2.gz VIBCYIDUPZYFNA-KRWDZBQOSA-N -1 3 313.397 3.918 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1[O-] ZINC000302934226 340287836 /nfs/dbraw/zinc/28/78/36/340287836.db2.gz HBNCBFYHTXCZRZ-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1 ZINC000302996479 340293652 /nfs/dbraw/zinc/29/36/52/340293652.db2.gz XHLYYSLZPVXLDV-CQSZACIVSA-N -1 3 319.788 3.935 20 0 DHADHM CC(C)(CNCc1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC000511076800 340320133 /nfs/dbraw/zinc/32/01/33/340320133.db2.gz ZAKPWULPUOSHKX-UHFFFAOYSA-N -1 3 309.331 3.877 20 0 DHADHM Cc1cccc(O[C@@H](C)CNCc2c(F)ccc([O-])c2F)c1 ZINC000511134874 340322047 /nfs/dbraw/zinc/32/20/47/340322047.db2.gz CTRPOHLBLOZKQY-LBPRGKRZSA-N -1 3 307.340 3.536 20 0 DHADHM Cc1cccc(O[C@H](C)CNCc2c(F)ccc([O-])c2F)c1 ZINC000511134871 340322054 /nfs/dbraw/zinc/32/20/54/340322054.db2.gz CTRPOHLBLOZKQY-GFCCVEGCSA-N -1 3 307.340 3.536 20 0 DHADHM C[C@@H](CC1CCCCC1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000511164322 340323040 /nfs/dbraw/zinc/32/30/40/340323040.db2.gz GPCKPAJUQNLRBR-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM C[C@@H](CC1CCCCC1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000511164322 340323041 /nfs/dbraw/zinc/32/30/41/340323041.db2.gz GPCKPAJUQNLRBR-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM C[C@@H](CC1CCCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000511164322 340323042 /nfs/dbraw/zinc/32/30/42/340323042.db2.gz GPCKPAJUQNLRBR-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2SCCc3ccccc32)c1F ZINC000511452672 340327616 /nfs/dbraw/zinc/32/76/16/340327616.db2.gz CYQKTYPSVNVEEC-INIZCTEOSA-N -1 3 321.392 3.791 20 0 DHADHM C[C@H](NCc1c(F)ccc([O-])c1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000511488528 340328502 /nfs/dbraw/zinc/32/85/02/340328502.db2.gz OJUBCYYLFRCGLP-LDLUMPKVSA-N -1 3 319.351 3.713 20 0 DHADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)cc1Cl ZINC000511689257 340335403 /nfs/dbraw/zinc/33/54/03/340335403.db2.gz VOFBEWZIYCXRKO-UHFFFAOYSA-N -1 3 313.731 3.622 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000303600735 340336955 /nfs/dbraw/zinc/33/69/55/340336955.db2.gz NRXTZCJKOFMJMZ-FQEVSTJZSA-N -1 3 309.409 3.895 20 0 DHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511928399 340342958 /nfs/dbraw/zinc/34/29/58/340342958.db2.gz WHHFCJGRABGCMV-ZJUUUORDSA-N -1 3 307.868 3.506 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512030911 340345845 /nfs/dbraw/zinc/34/58/45/340345845.db2.gz MGVSHMGTZWSADA-RKDXNWHRSA-N -1 3 310.246 3.706 20 0 DHADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1c1ccccc1)c1cccs1 ZINC000512037438 340346307 /nfs/dbraw/zinc/34/63/07/340346307.db2.gz PYTKYXYFGCKMDU-HUUCEWRRSA-N -1 3 321.467 3.753 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000304045176 340359168 /nfs/dbraw/zinc/35/91/68/340359168.db2.gz OGOLDVGTEBQFBZ-NVXWUHKLSA-N -1 3 309.409 3.966 20 0 DHADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512908600 340383727 /nfs/dbraw/zinc/38/37/27/340383727.db2.gz HUCILVYUDGHVHU-BBRMVZONSA-N -1 3 305.418 3.833 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CCC3(CCCCC3)O2)c1F ZINC000513187677 340396203 /nfs/dbraw/zinc/39/62/03/340396203.db2.gz FRVVWVXYAHSRKA-GFCCVEGCSA-N -1 3 311.372 3.642 20 0 DHADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000517031537 340462034 /nfs/dbraw/zinc/46/20/34/340462034.db2.gz IBSQXTQZJIFJOX-XJKSGUPXSA-N -1 3 319.401 3.519 20 0 DHADHM C[C@@H]1CCc2c(C(=O)Nc3ccc([O-])cc3F)csc2C1 ZINC000183256411 340487284 /nfs/dbraw/zinc/48/72/84/340487284.db2.gz NFXNLKAVPQXQTH-SECBINFHSA-N -1 3 305.374 3.970 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc(F)cc2F)c2c([O-])cccc21 ZINC000186287003 340510657 /nfs/dbraw/zinc/51/06/57/340510657.db2.gz OFKRUWCNZUCTSK-JTQLQIEISA-N -1 3 303.308 3.824 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)c1 ZINC000194727003 340595429 /nfs/dbraw/zinc/59/54/29/340595429.db2.gz OJNVHIVHONZZCP-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CC(C)(CCNCc1cc(Cl)ccc1F)CCC(=O)[O-] ZINC000231110665 340621800 /nfs/dbraw/zinc/62/18/00/340621800.db2.gz GWVQIXUSZYWHSP-UHFFFAOYSA-N -1 3 301.789 3.850 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523513242 340627397 /nfs/dbraw/zinc/62/73/97/340627397.db2.gz SDUQRAINPLHPQT-UKRRQHHQSA-N -1 3 322.424 3.935 20 0 DHADHM OCCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000303380518 340635285 /nfs/dbraw/zinc/63/52/85/340635285.db2.gz RDTCPRKNZAEIJB-UHFFFAOYSA-N -1 3 313.423 3.676 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000524009431 340645642 /nfs/dbraw/zinc/64/56/42/340645642.db2.gz XWAOGTQBIBAXDX-GOSISDBHSA-N -1 3 311.381 3.672 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000525241098 340696674 /nfs/dbraw/zinc/69/66/74/340696674.db2.gz GMTDAJSGPJKRPU-RDTXWAMCSA-N -1 3 313.784 3.888 20 0 DHADHM O=c1[n-]c(-c2ccc3c(c2)CCCCC3=O)nc2ccc(F)cc12 ZINC000527284545 340710240 /nfs/dbraw/zinc/71/02/40/340710240.db2.gz SSXXZMRAWNOZGB-UHFFFAOYSA-N -1 3 322.339 3.638 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1F ZINC000529641097 340766235 /nfs/dbraw/zinc/76/62/35/340766235.db2.gz JEAACDBPULVENK-UXEPBGEESA-N -1 3 321.754 3.752 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000123621578 340792697 /nfs/dbraw/zinc/79/26/97/340792697.db2.gz LYHQHARKKZFRSD-CQSZACIVSA-N -1 3 317.410 3.612 20 0 DHADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000124657240 340800253 /nfs/dbraw/zinc/80/02/53/340800253.db2.gz ZMVDGLXRZAWPKO-AWEZNQCLSA-N -1 3 313.397 3.933 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(F)c(OC)cc2F)on1 ZINC000126405767 340826805 /nfs/dbraw/zinc/82/68/05/340826805.db2.gz FXBOGSKTTMLXBR-MRVPVSSYSA-N -1 3 310.300 3.727 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)o1 ZINC000539107306 340873661 /nfs/dbraw/zinc/87/36/61/340873661.db2.gz OTEUQVBGJDSSOG-QGZVFWFLSA-N -1 3 319.426 3.798 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc2ccc(Cl)cc2n1 ZINC000128345219 340875953 /nfs/dbraw/zinc/87/59/53/340875953.db2.gz TWNVZNBIDBTHEX-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000128665657 340903831 /nfs/dbraw/zinc/90/38/31/340903831.db2.gz ZDJMHIGPXOSPNU-BDAKNGLRSA-N -1 3 307.271 3.552 20 0 DHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc([O-])c1F ZINC000128879763 340925302 /nfs/dbraw/zinc/92/53/02/340925302.db2.gz UBQLDQNXHVDKHL-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM COc1ccc2nc(Sc3ccccc3F)[n-]c(=O)c2c1 ZINC000069579341 340970019 /nfs/dbraw/zinc/97/00/19/340970019.db2.gz JNCXLEDGKGDVIR-UHFFFAOYSA-N -1 3 302.330 3.634 20 0 DHADHM CCc1cccc(C(=O)Nc2cn(-c3ccccc3)nc2C)c1[O-] ZINC000542828317 341022468 /nfs/dbraw/zinc/02/24/68/341022468.db2.gz CWFBEFDDROWNPY-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CCC1CCCC1 ZINC000543745024 341056459 /nfs/dbraw/zinc/05/64/59/341056459.db2.gz GTMUMXKPEZGUPR-CQSZACIVSA-N -1 3 303.402 3.673 20 0 DHADHM O=c1[n-]c(-c2ccc(Cl)o2)nc2cc(C(F)(F)F)ccc12 ZINC000131448877 341089839 /nfs/dbraw/zinc/08/98/39/341089839.db2.gz BWFJDSFAVPBAOI-UHFFFAOYSA-N -1 3 314.650 3.855 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1C ZINC000544666002 341090579 /nfs/dbraw/zinc/09/05/79/341090579.db2.gz JOFFLAWDLHWASN-GFCCVEGCSA-N -1 3 323.380 3.559 20 0 DHADHM CC(C)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000544835524 341095878 /nfs/dbraw/zinc/09/58/78/341095878.db2.gz FGKQOHPWBUMCDV-UHFFFAOYSA-N -1 3 321.364 3.573 20 0 DHADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000545246040 341117045 /nfs/dbraw/zinc/11/70/45/341117045.db2.gz WDSHCMBJURJTRC-ILXRZTDVSA-N -1 3 317.429 3.828 20 0 DHADHM CC[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132964716 341150753 /nfs/dbraw/zinc/15/07/53/341150753.db2.gz SAJDAFUUKLPBIO-CQSZACIVSA-N -1 3 301.361 3.731 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000564299342 341152688 /nfs/dbraw/zinc/15/26/88/341152688.db2.gz WOUBPJFKMQELBP-GOSISDBHSA-N -1 3 307.397 3.996 20 0 DHADHM Cc1cccc2c1CC[C@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000133108837 341154810 /nfs/dbraw/zinc/15/48/10/341154810.db2.gz JZRKDLRHIUKTEC-QGZVFWFLSA-N -1 3 315.800 3.700 20 0 DHADHM C[C@@H]1C[C@@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000546511140 341171635 /nfs/dbraw/zinc/17/16/35/341171635.db2.gz XOJGAYFAJMBBBW-RISCZKNCSA-N -1 3 310.353 3.878 20 0 DHADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ncccc1[O-] ZINC000564312562 341191726 /nfs/dbraw/zinc/19/17/26/341191726.db2.gz FNOAWQRDCIFJKX-GFCCVEGCSA-N -1 3 324.346 3.869 20 0 DHADHM Cc1ccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)o1 ZINC000134107940 341206625 /nfs/dbraw/zinc/20/66/25/341206625.db2.gz AUZIAFLIUUWDDW-UHFFFAOYSA-N -1 3 313.275 3.884 20 0 DHADHM Cc1ccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000134152038 341207970 /nfs/dbraw/zinc/20/79/70/341207970.db2.gz KDIJEAFEWRXZLR-UHFFFAOYSA-N -1 3 315.316 3.962 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C)nc3ccccc32)n1 ZINC000134691372 341221931 /nfs/dbraw/zinc/22/19/31/341221931.db2.gz PFRZSSGLFAZNFQ-JTQLQIEISA-N -1 3 312.398 3.596 20 0 DHADHM [O-]c1ccc(Cc2nc([C@@H]3Cc4ccccc43)no2)c(Cl)c1 ZINC000547942521 341239807 /nfs/dbraw/zinc/23/98/07/341239807.db2.gz KAHLZWOTXZAPLN-CQSZACIVSA-N -1 3 312.756 3.707 20 0 DHADHM Cc1cc(CN(CCc2cccc(F)c2)C2CC2)oc1C(=O)[O-] ZINC000564338459 341244635 /nfs/dbraw/zinc/24/46/35/341244635.db2.gz ZLRZVJNBUKSFGW-UHFFFAOYSA-N -1 3 317.360 3.632 20 0 DHADHM CC(C)n1cccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000135885090 341247704 /nfs/dbraw/zinc/24/77/04/341247704.db2.gz MACKKQLYFOOKFG-UHFFFAOYSA-N -1 3 323.190 3.789 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000548279948 341254082 /nfs/dbraw/zinc/25/40/82/341254082.db2.gz XTACTOKQIRGWCO-LBPRGKRZSA-N -1 3 323.380 3.504 20 0 DHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000564350651 341260642 /nfs/dbraw/zinc/26/06/42/341260642.db2.gz NUBYMPRWZRBLFW-JKSUJKDBSA-N -1 3 323.408 3.549 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2occc2Br)n1 ZINC000080974631 341277457 /nfs/dbraw/zinc/27/74/57/341277457.db2.gz ZRXAQIMCABSWRX-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(Cl)o1 ZINC000081458913 341291543 /nfs/dbraw/zinc/29/15/43/341291543.db2.gz YCHUBQQKAYXNGK-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM [O-]c1ccc(-c2noc(CC[C@@H]3CCOC3)n2)c2ccccc12 ZINC000551256147 341335672 /nfs/dbraw/zinc/33/56/72/341335672.db2.gz CLPQHQBDBXKKLL-GFCCVEGCSA-N -1 3 310.353 3.565 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1[O-] ZINC000552286349 341384240 /nfs/dbraw/zinc/38/42/40/341384240.db2.gz NHESTZVAJNVZPY-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000088547104 341400430 /nfs/dbraw/zinc/40/04/30/341400430.db2.gz DQGHOINWZAHLOH-UHFFFAOYSA-N -1 3 323.389 3.759 20 0 DHADHM C[C@H](NCc1ncccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000554864568 341467324 /nfs/dbraw/zinc/46/73/24/341467324.db2.gz BTJDJWSRMQJFCC-JTQLQIEISA-N -1 3 312.291 3.537 20 0 DHADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000153514209 341543419 /nfs/dbraw/zinc/54/34/19/341543419.db2.gz PYUTWIJDMBKSPA-MRXNPFEDSA-N -1 3 317.772 3.688 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153717984 341577751 /nfs/dbraw/zinc/57/77/51/341577751.db2.gz WLSTYJPRIDQYRE-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)ccc1[O-] ZINC000567441952 341605934 /nfs/dbraw/zinc/60/59/34/341605934.db2.gz GZDKRYVNJAKPQV-IBGZPJMESA-N -1 3 313.372 3.666 20 0 DHADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000155879173 341614261 /nfs/dbraw/zinc/61/42/61/341614261.db2.gz CWDYDOUIIBYFLY-OLZOCXBDSA-N -1 3 317.816 3.897 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccccc3)CC2)c(F)c1 ZINC000573733306 341737652 /nfs/dbraw/zinc/73/76/52/341737652.db2.gz FURFQKYEPLBWGM-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM CCCc1coc([N-]C(=O)c2coc(C3CCCCC3)n2)n1 ZINC000576358428 341842235 /nfs/dbraw/zinc/84/22/35/341842235.db2.gz ZZPFPVUJTJTKNR-UHFFFAOYSA-N -1 3 303.362 3.915 20 0 DHADHM O=C(Nc1ccc2c[nH]nc2c1)c1cc([O-])ccc1C(F)(F)F ZINC000192521322 341873090 /nfs/dbraw/zinc/87/30/90/341873090.db2.gz KYMYGOOYIBUCIZ-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1ccc(F)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176436514 341875553 /nfs/dbraw/zinc/87/55/53/341875553.db2.gz IKBPHDAPRIEVNA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc(C2(c3noc(Cc4ccc([O-])c(F)c4)n3)CC2)c1 ZINC000577057423 341882069 /nfs/dbraw/zinc/88/20/69/341882069.db2.gz CNXMSWFUUYABKW-UHFFFAOYSA-N -1 3 324.355 3.893 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192780455 341887600 /nfs/dbraw/zinc/88/76/00/341887600.db2.gz KHBMTNTXIJSZGH-CHWSQXEVSA-N -1 3 311.385 3.957 20 0 DHADHM CC(C)c1nn(C)cc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000577717620 341931174 /nfs/dbraw/zinc/93/11/74/341931174.db2.gz AXEKACGAMCHBKV-UHFFFAOYSA-N -1 3 322.821 3.992 20 0 DHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448907509 517757238 /nfs/dbraw/zinc/75/72/38/517757238.db2.gz GYEAVHIERXAYMS-CQSZACIVSA-N -1 3 315.388 3.901 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C1CC1 ZINC000089847624 517763264 /nfs/dbraw/zinc/76/32/64/517763264.db2.gz PBOKPYHVXGSKEB-SNVBAGLBSA-N -1 3 317.364 3.829 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2scnc2C(C)(C)C)n1 ZINC000267058529 519141315 /nfs/dbraw/zinc/14/13/15/519141315.db2.gz YVIOGFOQXNHZGQ-UHFFFAOYSA-N -1 3 324.475 3.842 20 0 DHADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000236723653 519637966 /nfs/dbraw/zinc/63/79/66/519637966.db2.gz JRVJGAFFSZXYRD-UHFFFAOYSA-N -1 3 307.390 3.849 20 0 DHADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cnccn1 ZINC000157537296 519787770 /nfs/dbraw/zinc/78/77/70/519787770.db2.gz MTQCOAWMWHJLIK-UHFFFAOYSA-N -1 3 307.806 3.883 20 0 DHADHM CC(C)Sc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000156207174 519788457 /nfs/dbraw/zinc/78/84/57/519788457.db2.gz ZPSIXGWOMSPIIA-CQSZACIVSA-N -1 3 310.419 3.767 20 0 DHADHM CC(C)Sc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000156207174 519788458 /nfs/dbraw/zinc/78/84/58/519788458.db2.gz ZPSIXGWOMSPIIA-CQSZACIVSA-N -1 3 310.419 3.767 20 0 DHADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H]1CCCc2cccnc21 ZINC000365036919 520097480 /nfs/dbraw/zinc/09/74/80/520097480.db2.gz OHPBTPLHBKYCFS-INIZCTEOSA-N -1 3 310.397 3.635 20 0 DHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000155792346 521064751 /nfs/dbraw/zinc/06/47/51/521064751.db2.gz QUVRNJIMAFIOMM-GUYCJALGSA-N -1 3 312.413 3.569 20 0 DHADHM CCCN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163762492 521685172 /nfs/dbraw/zinc/68/51/72/521685172.db2.gz HDHXIBRQNWGVQE-UHFFFAOYSA-N -1 3 316.376 3.653 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266449281 521711575 /nfs/dbraw/zinc/71/15/75/521711575.db2.gz BSCAZQNZVJDBIQ-GFCCVEGCSA-N -1 3 318.442 3.544 20 0 DHADHM Cc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c(F)cc1F ZINC000182684502 524188944 /nfs/dbraw/zinc/18/89/44/524188944.db2.gz IUDCWSPXJMQXGP-UHFFFAOYSA-N -1 3 320.343 3.622 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)ccc2F)c(F)c1 ZINC000340526163 534820519 /nfs/dbraw/zinc/82/05/19/534820519.db2.gz CTJQFMCSVFIUBL-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM C[C@@H](c1ccccn1)N(C)Cc1cc([O-])ccc1Br ZINC000182064090 526111971 /nfs/dbraw/zinc/11/19/71/526111971.db2.gz GKCYCZXKOCCNFO-NSHDSACASA-N -1 3 321.218 3.743 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@@](=O)c1ccc([O-])cc1 ZINC000157085788 526181770 /nfs/dbraw/zinc/18/17/70/526181770.db2.gz RFLTUQADUVZAEP-YTEVENLXSA-N -1 3 313.378 3.916 20 0 DHADHM [O-]c1ccccc1-c1nc(CSCCC(F)(F)F)no1 ZINC000366401013 526367896 /nfs/dbraw/zinc/36/78/96/526367896.db2.gz QCNBGPSQEKKHAK-UHFFFAOYSA-N -1 3 304.293 3.628 20 0 DHADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c1C ZINC000266177592 526639787 /nfs/dbraw/zinc/63/97/87/526639787.db2.gz LFTWTHFMKVYWSE-ZDUSSCGKSA-N -1 3 316.401 3.995 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000162646950 526845249 /nfs/dbraw/zinc/84/52/49/526845249.db2.gz HNTHKWNSPRKHPW-HUUCEWRRSA-N -1 3 323.314 3.944 20 0 DHADHM O=C(N[C@H](c1cccnc1)C1CCCCC1)c1cccc([O-])c1 ZINC000365023247 527009304 /nfs/dbraw/zinc/00/93/04/527009304.db2.gz UXSVJLWKICCDCN-SFHVURJKSA-N -1 3 310.397 3.839 20 0 DHADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OCCC(F)(F)F ZINC000162677562 527220242 /nfs/dbraw/zinc/22/02/42/527220242.db2.gz RKODMUVLCABTIT-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC[C@H]1c1ccco1 ZINC000366411377 527239916 /nfs/dbraw/zinc/23/99/16/527239916.db2.gz GPBBCBMWGOXSND-HNNXBMFYSA-N -1 3 319.788 3.935 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000365950659 527364473 /nfs/dbraw/zinc/36/44/73/527364473.db2.gz OKNWUARPFQUPKF-HTQZYQBOSA-N -1 3 311.765 3.988 20 0 DHADHM CCCN(CCC)Cc1cc(C(=O)[O-])ccc1Br ZINC000675073121 568420252 /nfs/dbraw/zinc/42/02/52/568420252.db2.gz LMNAWKFMMWQDIT-UHFFFAOYSA-N -1 3 314.223 3.769 20 0 DHADHM FC(F)(F)CCCCSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826367845 607786192 /nfs/dbraw/zinc/78/61/92/607786192.db2.gz QQQZRPNKOPVGJW-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM FC(F)(F)CCCCSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826367845 607786193 /nfs/dbraw/zinc/78/61/93/607786193.db2.gz QQQZRPNKOPVGJW-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM Cc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000737368234 598934667 /nfs/dbraw/zinc/93/46/67/598934667.db2.gz GEFCDNYNLBRZOG-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM Cc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000737368234 598934668 /nfs/dbraw/zinc/93/46/68/598934668.db2.gz GEFCDNYNLBRZOG-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM Clc1ccc(Sc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000822579070 599078385 /nfs/dbraw/zinc/07/83/85/599078385.db2.gz VKFDCYUXCNGWQG-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Clc1ccc(Sc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000822579070 599078387 /nfs/dbraw/zinc/07/83/87/599078387.db2.gz VKFDCYUXCNGWQG-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202793 597085655 /nfs/dbraw/zinc/08/56/55/597085655.db2.gz ZJUFIWBGLPYMQL-KGLIPLIRSA-N -1 3 314.385 3.589 20 0 DHADHM CCCC[C@@H](CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000736439828 599241600 /nfs/dbraw/zinc/24/16/00/599241600.db2.gz ZNQZFKKEIPZSIB-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCC[C@@H](CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736439828 599241601 /nfs/dbraw/zinc/24/16/01/599241601.db2.gz ZNQZFKKEIPZSIB-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCC[C@H](CC)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736439671 599241666 /nfs/dbraw/zinc/24/16/66/599241666.db2.gz YPNUNMTYPUMCMF-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCC[C@H](CC)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736439671 599241667 /nfs/dbraw/zinc/24/16/67/599241667.db2.gz YPNUNMTYPUMCMF-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821983115 599363706 /nfs/dbraw/zinc/36/37/06/599363706.db2.gz DUCSDIKIYIAZBZ-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821983115 599363709 /nfs/dbraw/zinc/36/37/09/599363709.db2.gz DUCSDIKIYIAZBZ-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM Cc1c(NC(=O)C[C@H](C)CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822066540 607296546 /nfs/dbraw/zinc/29/65/46/607296546.db2.gz FYJLBNRUDZLJPK-NSHDSACASA-N -1 3 315.421 3.576 20 0 DHADHM Cc1c(NC(=O)C[C@H](C)CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822066540 607296547 /nfs/dbraw/zinc/29/65/47/607296547.db2.gz FYJLBNRUDZLJPK-NSHDSACASA-N -1 3 315.421 3.576 20 0 DHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000822255119 607308263 /nfs/dbraw/zinc/30/82/63/607308263.db2.gz WDHIHYRSUNRKNX-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(Cl)s1 ZINC000737221881 599283744 /nfs/dbraw/zinc/28/37/44/599283744.db2.gz QVIVYMNLVJPMBS-UHFFFAOYSA-N -1 3 320.805 3.777 20 0 DHADHM C[C@H](Sc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190632 599286832 /nfs/dbraw/zinc/28/68/32/599286832.db2.gz GDCRPGGNGDVYHJ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190632 599286833 /nfs/dbraw/zinc/28/68/33/599286833.db2.gz GDCRPGGNGDVYHJ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194216 599287392 /nfs/dbraw/zinc/28/73/92/599287392.db2.gz XZQTXWMZGJADKK-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194216 599287394 /nfs/dbraw/zinc/28/73/94/599287394.db2.gz XZQTXWMZGJADKK-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM O=C([O-])CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000821521759 598217654 /nfs/dbraw/zinc/21/76/54/598217654.db2.gz KOFNWGDTFBOZJM-IBGZPJMESA-N -1 3 324.380 3.762 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000736140356 598234160 /nfs/dbraw/zinc/23/41/60/598234160.db2.gz UNNYYPWGSVUUTD-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccccc1N(Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737435137 598312457 /nfs/dbraw/zinc/31/24/57/598312457.db2.gz HOXAEVSUUYRTAX-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1ccccc1N(Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737435137 598312459 /nfs/dbraw/zinc/31/24/59/598312459.db2.gz HOXAEVSUUYRTAX-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1cc(C)cc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737253298 598426450 /nfs/dbraw/zinc/42/64/50/598426450.db2.gz QEHMZUSYTBJSDY-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cc(C)cc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737253298 598426451 /nfs/dbraw/zinc/42/64/51/598426451.db2.gz QEHMZUSYTBJSDY-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1sc(NC(=O)C[C@H](C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000737563738 598495410 /nfs/dbraw/zinc/49/54/10/598495410.db2.gz STKWIMVETXOFAO-SECBINFHSA-N -1 3 321.450 3.556 20 0 DHADHM Cc1sc(NC(=O)C[C@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000737563738 598495412 /nfs/dbraw/zinc/49/54/12/598495412.db2.gz STKWIMVETXOFAO-SECBINFHSA-N -1 3 321.450 3.556 20 0 DHADHM Fc1cc(OCc2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737651371 598549386 /nfs/dbraw/zinc/54/93/86/598549386.db2.gz KGWULBXIDOKYDS-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1cc(OCc2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737651371 598549387 /nfs/dbraw/zinc/54/93/87/598549387.db2.gz KGWULBXIDOKYDS-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM CCCCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736440190 598550621 /nfs/dbraw/zinc/55/06/21/598550621.db2.gz AXHFHIJSDFIZAO-MRXNPFEDSA-N -1 3 322.416 3.995 20 0 DHADHM CCCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736440190 598550622 /nfs/dbraw/zinc/55/06/22/598550622.db2.gz AXHFHIJSDFIZAO-MRXNPFEDSA-N -1 3 322.416 3.995 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736446110 598571843 /nfs/dbraw/zinc/57/18/43/598571843.db2.gz MZFNXJGGZAAWML-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736446110 598571845 /nfs/dbraw/zinc/57/18/45/598571845.db2.gz MZFNXJGGZAAWML-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCC(C)(C)C)s1 ZINC000736679263 598736205 /nfs/dbraw/zinc/73/62/05/598736205.db2.gz QFBIURGFVMDONR-UHFFFAOYSA-N -1 3 321.450 3.646 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCC(C)(C)C)s1 ZINC000736679263 598736206 /nfs/dbraw/zinc/73/62/06/598736206.db2.gz QFBIURGFVMDONR-UHFFFAOYSA-N -1 3 321.450 3.646 20 0 DHADHM C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736138892 599324929 /nfs/dbraw/zinc/32/49/29/599324929.db2.gz SCNNGDTZAQLLGU-SNVBAGLBSA-N -1 3 315.327 3.977 20 0 DHADHM C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138892 599324931 /nfs/dbraw/zinc/32/49/31/599324931.db2.gz SCNNGDTZAQLLGU-SNVBAGLBSA-N -1 3 315.327 3.977 20 0 DHADHM C[C@@H](Nc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461378 599354877 /nfs/dbraw/zinc/35/48/77/599354877.db2.gz IVYULRUOTGXRJJ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1nc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461378 599354879 /nfs/dbraw/zinc/35/48/79/599354879.db2.gz IVYULRUOTGXRJJ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461272 599362607 /nfs/dbraw/zinc/36/26/07/599362607.db2.gz GQTPRXFUAYGJGC-GFCCVEGCSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461272 599362608 /nfs/dbraw/zinc/36/26/08/599362608.db2.gz GQTPRXFUAYGJGC-GFCCVEGCSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456327 599363318 /nfs/dbraw/zinc/36/33/18/599363318.db2.gz SOFNARIQQVIAEB-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456327 599363321 /nfs/dbraw/zinc/36/33/21/599363321.db2.gz SOFNARIQQVIAEB-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737182246 599441302 /nfs/dbraw/zinc/44/13/02/599441302.db2.gz YJHGPFHBSQZRDC-GHMZBOCLSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737182246 599441306 /nfs/dbraw/zinc/44/13/06/599441306.db2.gz YJHGPFHBSQZRDC-GHMZBOCLSA-N -1 3 323.853 3.606 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000736661974 599709642 /nfs/dbraw/zinc/70/96/42/599709642.db2.gz KIVUUAIZSCPNPB-BONVTDFDSA-N -1 3 307.752 3.956 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000736661976 599709702 /nfs/dbraw/zinc/70/97/02/599709702.db2.gz KIVUUAIZSCPNPB-MEBBXXQBSA-N -1 3 307.752 3.956 20 0 DHADHM CC(C)[C@H](C)N(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000574164253 599809287 /nfs/dbraw/zinc/80/92/87/599809287.db2.gz JEVSEHNBAJNRRP-LBPRGKRZSA-N -1 3 318.442 3.985 20 0 DHADHM O=C([O-])c1coc(CN2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000652397559 599848184 /nfs/dbraw/zinc/84/81/84/599848184.db2.gz CPWLEARURLJDMF-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM COc1cccc(CN(Cc2cc(C(=O)[O-])co2)CC(C)C)c1 ZINC000738096751 599849414 /nfs/dbraw/zinc/84/94/14/599849414.db2.gz KEUZYQLXPJDNSJ-UHFFFAOYSA-N -1 3 317.385 3.645 20 0 DHADHM CCN(Cc1ccc(OC)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000579364313 600084943 /nfs/dbraw/zinc/08/49/43/600084943.db2.gz CIJWXPJNOWYVQL-UHFFFAOYSA-N -1 3 317.360 3.555 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCS[C@@H](c2ccccc2)C1 ZINC000736717117 600411996 /nfs/dbraw/zinc/41/19/96/600411996.db2.gz KNZJMAYMBQQZPS-MLGOLLRUSA-N -1 3 317.410 3.829 20 0 DHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000573276357 600423767 /nfs/dbraw/zinc/42/37/67/600423767.db2.gz HQSKTVGQNSZVRH-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)(CCC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000736319821 600444399 /nfs/dbraw/zinc/44/43/99/600444399.db2.gz MBMQZAIJMBTUTF-UHFFFAOYSA-N -1 3 322.405 3.682 20 0 DHADHM Cc1cccnc1[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000738785782 600556026 /nfs/dbraw/zinc/55/60/26/600556026.db2.gz MGLYLMLYDBCHBK-DOTOQJQBSA-N -1 3 316.376 3.642 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000736717671 600643262 /nfs/dbraw/zinc/64/32/62/600643262.db2.gz PEQJOWWVUUEETJ-ZFWWWQNUSA-N -1 3 315.369 3.582 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000736717668 600643365 /nfs/dbraw/zinc/64/33/65/600643365.db2.gz PEQJOWWVUUEETJ-DZGCQCFKSA-N -1 3 315.369 3.582 20 0 DHADHM Cc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832966660 600750757 /nfs/dbraw/zinc/75/07/57/600750757.db2.gz VOSNRCFBAAKQLX-CXAGYDPISA-N -1 3 301.361 3.919 20 0 DHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566363215 600836077 /nfs/dbraw/zinc/83/60/77/600836077.db2.gz YFJNZBRCWRHSLO-ABAIWWIYSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000652429723 601118103 /nfs/dbraw/zinc/11/81/03/601118103.db2.gz OVLIXPCUHZYNNS-IAQYHMDHSA-N -1 3 303.333 3.700 20 0 DHADHM CCN(Cc1ccc(F)cc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000829718673 601375521 /nfs/dbraw/zinc/37/55/21/601375521.db2.gz MWYKMINNZWMUOF-LBPRGKRZSA-N -1 3 317.360 3.813 20 0 DHADHM CC(C)CCOC1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000826855590 601619491 /nfs/dbraw/zinc/61/94/91/601619491.db2.gz SDDAIYFFDCMDHW-UHFFFAOYSA-N -1 3 323.408 3.551 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000833032655 601621579 /nfs/dbraw/zinc/62/15/79/601621579.db2.gz KLILHWVFQAUWCA-OAHLLOKOSA-N -1 3 317.410 3.797 20 0 DHADHM O=C([O-])c1sccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000565721077 601805147 /nfs/dbraw/zinc/80/51/47/601805147.db2.gz LWBYWRCWFDNGRM-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM O=C([O-])c1sccc1CN1CCC(c2ccccc2F)CC1 ZINC000833347666 601828498 /nfs/dbraw/zinc/82/84/98/601828498.db2.gz PQVBUMBDEOGPND-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM O=C([O-])[C@H](NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000037952463 601970450 /nfs/dbraw/zinc/97/04/50/601970450.db2.gz MLFFRJTVLVOIEM-CQSZACIVSA-N -1 3 310.180 3.909 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1ncc(-c2ccccc2F)o1 ZINC000828804477 602210777 /nfs/dbraw/zinc/21/07/77/602210777.db2.gz OSTNKXAWCVJSTO-UHFFFAOYSA-N -1 3 320.364 3.604 20 0 DHADHM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000277189830 602224232 /nfs/dbraw/zinc/22/42/32/602224232.db2.gz FTEZNBFXKWDNOA-CQSZACIVSA-N -1 3 318.442 3.707 20 0 DHADHM CCc1ccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000830229337 602259214 /nfs/dbraw/zinc/25/92/14/602259214.db2.gz PZGFCKWLIDRJKX-UHFFFAOYSA-N -1 3 318.442 3.715 20 0 DHADHM O=C([O-])N[C@H](CNCc1cc2ccccc2o1)c1ccccc1 ZINC000832141891 603176605 /nfs/dbraw/zinc/17/66/05/603176605.db2.gz XMXKMUGLGQAPEI-MRXNPFEDSA-N -1 3 310.353 3.531 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000832969474 604368425 /nfs/dbraw/zinc/36/84/25/604368425.db2.gz XLDHRUUHTUJYFQ-OAHLLOKOSA-N -1 3 316.426 3.795 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000832969471 604368869 /nfs/dbraw/zinc/36/88/69/604368869.db2.gz XLDHRUUHTUJYFQ-HNNXBMFYSA-N -1 3 316.426 3.795 20 0 DHADHM CC(C)N(Cc1ccco1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833538801 604530664 /nfs/dbraw/zinc/53/06/64/604530664.db2.gz VSFZMCWSNKBGFO-CQSZACIVSA-N -1 3 317.385 3.542 20 0 DHADHM CC(C)Oc1cccc(CN(C)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833507407 604620750 /nfs/dbraw/zinc/62/07/50/604620750.db2.gz LCGGSTQVAVDYKM-UHFFFAOYSA-N -1 3 313.397 3.804 20 0 DHADHM C[C@@]1(NCc2ncc(-c3cccs3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569896 604811970 /nfs/dbraw/zinc/81/19/70/604811970.db2.gz QHPNSMOBAAQQKD-BDJLRTHQSA-N -1 3 320.414 3.526 20 0 DHADHM Cc1ccc(-c2nc(CN3CCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000314967296 604965967 /nfs/dbraw/zinc/96/59/67/604965967.db2.gz NMQYLEVQLBKMCM-OAHLLOKOSA-N -1 3 316.426 3.558 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000827717719 604985557 /nfs/dbraw/zinc/98/55/57/604985557.db2.gz LGFGDLJFTMIRFX-QMTHXVAHSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(Br)cc1 ZINC000235221464 605058805 /nfs/dbraw/zinc/05/88/05/605058805.db2.gz SNWDAWIUKUGXLQ-SECBINFHSA-N -1 3 324.174 3.591 20 0 DHADHM CC(C)(C)c1nc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cs1 ZINC000833450657 605061006 /nfs/dbraw/zinc/06/10/06/605061006.db2.gz HFSPFMVCSQWIKE-WBMJQRKESA-N -1 3 310.463 3.564 20 0 DHADHM CC(C)(NCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000833461085 605170901 /nfs/dbraw/zinc/17/09/01/605170901.db2.gz NEKNOMUZXJUCMK-UHFFFAOYSA-N -1 3 305.324 3.688 20 0 DHADHM C[C@@H]1[C@@H](C)CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000520823937 605211211 /nfs/dbraw/zinc/21/12/11/605211211.db2.gz OYTWBBROMNGUFR-QWHCGFSZSA-N -1 3 314.385 3.660 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@@H]2c2ccc(F)cc2)O1 ZINC000833585753 605352534 /nfs/dbraw/zinc/35/25/34/605352534.db2.gz UWZHWYIHIUVKKB-NVXWUHKLSA-N -1 3 319.376 3.500 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167052154 605547404 /nfs/dbraw/zinc/54/74/04/605547404.db2.gz AKBUCLUTFIDWIH-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM C[C@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1cccs1 ZINC000820461403 606026178 /nfs/dbraw/zinc/02/61/78/606026178.db2.gz JMHGSLJNILUEAH-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1cccs1 ZINC000820461403 606026185 /nfs/dbraw/zinc/02/61/85/606026185.db2.gz JMHGSLJNILUEAH-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2c1 ZINC000820456887 606026763 /nfs/dbraw/zinc/02/67/63/606026763.db2.gz WXYZZKNGDYQYPL-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC000820456887 606026770 /nfs/dbraw/zinc/02/67/70/606026770.db2.gz WXYZZKNGDYQYPL-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)s1 ZINC000820925145 606103520 /nfs/dbraw/zinc/10/35/20/606103520.db2.gz FACGTSLXEWAXPS-SECBINFHSA-N -1 3 320.809 3.540 20 0 DHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)s1 ZINC000820925145 606103522 /nfs/dbraw/zinc/10/35/22/606103522.db2.gz FACGTSLXEWAXPS-SECBINFHSA-N -1 3 320.809 3.540 20 0 DHADHM Cc1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000822280483 606303889 /nfs/dbraw/zinc/30/38/89/606303889.db2.gz PIMWNHMZJPNSKC-WAYWQWQTSA-N -1 3 319.393 3.955 20 0 DHADHM Cc1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000822280483 606303891 /nfs/dbraw/zinc/30/38/91/606303891.db2.gz PIMWNHMZJPNSKC-WAYWQWQTSA-N -1 3 319.393 3.955 20 0 DHADHM Clc1ccc(CSc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822573757 606326248 /nfs/dbraw/zinc/32/62/48/606326248.db2.gz HKYVZSXJUAZXHS-UHFFFAOYSA-N -1 3 308.819 3.874 20 0 DHADHM Clc1ccc(CSc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822573757 606326249 /nfs/dbraw/zinc/32/62/49/606326249.db2.gz HKYVZSXJUAZXHS-UHFFFAOYSA-N -1 3 308.819 3.874 20 0 DHADHM COc1cccc([C@@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000821859970 606360981 /nfs/dbraw/zinc/36/09/81/606360981.db2.gz VCNOWUKDLMPTBD-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000821859970 606360982 /nfs/dbraw/zinc/36/09/82/606360982.db2.gz VCNOWUKDLMPTBD-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM Fc1ccc(CNc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000822772006 606926382 /nfs/dbraw/zinc/92/63/82/606926382.db2.gz OQYJCIKQZGTQKO-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(CNc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000822772006 606926383 /nfs/dbraw/zinc/92/63/83/606926383.db2.gz OQYJCIKQZGTQKO-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1cccnc1 ZINC000824757193 607844940 /nfs/dbraw/zinc/84/49/40/607844940.db2.gz UIIALCNRHVOPIV-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1cccnc1 ZINC000824757193 607844941 /nfs/dbraw/zinc/84/49/41/607844941.db2.gz UIIALCNRHVOPIV-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826267593 608101317 /nfs/dbraw/zinc/10/13/17/608101317.db2.gz MFOQRUASRLUXBV-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826267593 608101318 /nfs/dbraw/zinc/10/13/18/608101318.db2.gz MFOQRUASRLUXBV-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CCC=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825221129 608346960 /nfs/dbraw/zinc/34/69/60/608346960.db2.gz YDLKNYSNBXIQIZ-CLFYSBASSA-N -1 3 319.434 3.521 20 0 DHADHM CCC=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825221129 608346961 /nfs/dbraw/zinc/34/69/61/608346961.db2.gz YDLKNYSNBXIQIZ-CLFYSBASSA-N -1 3 319.434 3.521 20 0 DHADHM CC/C=C(/C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825221129 608346963 /nfs/dbraw/zinc/34/69/63/608346963.db2.gz YDLKNYSNBXIQIZ-CLFYSBASSA-N -1 3 319.434 3.521 20 0 DHADHM CCc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825723345 609157742 /nfs/dbraw/zinc/15/77/42/609157742.db2.gz YVGWWYOUWMCCKE-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825723345 609157743 /nfs/dbraw/zinc/15/77/43/609157743.db2.gz YVGWWYOUWMCCKE-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826299742 609161268 /nfs/dbraw/zinc/16/12/68/609161268.db2.gz SPJCFDGNBKBNNY-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826299742 609161269 /nfs/dbraw/zinc/16/12/69/609161269.db2.gz SPJCFDGNBKBNNY-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826291539 609161274 /nfs/dbraw/zinc/16/12/74/609161274.db2.gz KOENPTBZFFVTEB-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826291539 609161275 /nfs/dbraw/zinc/16/12/75/609161275.db2.gz KOENPTBZFFVTEB-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM C[C@@H](Nc1ccc(C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658063 609254061 /nfs/dbraw/zinc/25/40/61/609254061.db2.gz UXZXZMPDMSIAIE-GFCCVEGCSA-N -1 3 305.385 3.917 20 0 DHADHM C[C@@H](Nc1ccc(C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658063 609254063 /nfs/dbraw/zinc/25/40/63/609254063.db2.gz UXZXZMPDMSIAIE-GFCCVEGCSA-N -1 3 305.385 3.917 20 0 DHADHM FCc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000826370572 609268165 /nfs/dbraw/zinc/26/81/65/609268165.db2.gz ZCOLBNFFXVNVCR-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM FCc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000826370572 609268167 /nfs/dbraw/zinc/26/81/67/609268167.db2.gz ZCOLBNFFXVNVCR-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM FCc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826370211 609268259 /nfs/dbraw/zinc/26/82/59/609268259.db2.gz IOQMYPUKCVAQKU-UHFFFAOYSA-N -1 3 318.739 3.569 20 0 DHADHM FCc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826370211 609268261 /nfs/dbraw/zinc/26/82/61/609268261.db2.gz IOQMYPUKCVAQKU-UHFFFAOYSA-N -1 3 318.739 3.569 20 0 DHADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826269000 609350129 /nfs/dbraw/zinc/35/01/29/609350129.db2.gz XDEYBRWKLDGHQP-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826269000 609350131 /nfs/dbraw/zinc/35/01/31/609350131.db2.gz XDEYBRWKLDGHQP-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Clc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000822586264 946130879 /nfs/dbraw/zinc/13/08/79/946130879.db2.gz VULAGMGEIMJNTB-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000822586264 946130882 /nfs/dbraw/zinc/13/08/82/946130882.db2.gz VULAGMGEIMJNTB-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CCC[C@@H](C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000825225260 947125885 /nfs/dbraw/zinc/12/58/85/947125885.db2.gz QMANVFVZGZWUEA-LLVKDONJSA-N -1 3 321.450 3.556 20 0 DHADHM CCC[C@@H](C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000825225260 947125890 /nfs/dbraw/zinc/12/58/90/947125890.db2.gz QMANVFVZGZWUEA-LLVKDONJSA-N -1 3 321.450 3.556 20 0 DHADHM CCCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825267614 947137883 /nfs/dbraw/zinc/13/78/83/947137883.db2.gz LAORQWHYLTWSHP-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825267614 947137887 /nfs/dbraw/zinc/13/78/87/947137887.db2.gz LAORQWHYLTWSHP-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1c(C)cccc1[O-] ZINC000625203859 1013074636 /nfs/dbraw/zinc/07/46/36/1013074636.db2.gz JLKLTNFFULAMFI-OAHLLOKOSA-N -1 3 311.381 3.687 20 0 DHADHM CSc1ccc(C)c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826230144 947674447 /nfs/dbraw/zinc/67/44/47/947674447.db2.gz GQABQBPCLWFAAA-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM CSc1ccc(C)c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826230144 947674451 /nfs/dbraw/zinc/67/44/51/947674451.db2.gz GQABQBPCLWFAAA-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)nc2cc(F)ccc12 ZINC000826243123 947723070 /nfs/dbraw/zinc/72/30/70/947723070.db2.gz VHZISQXHRVDJDV-UHFFFAOYSA-N -1 3 323.306 3.669 20 0 DHADHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)nc2cc(F)ccc12 ZINC000826243123 947723076 /nfs/dbraw/zinc/72/30/76/947723076.db2.gz VHZISQXHRVDJDV-UHFFFAOYSA-N -1 3 323.306 3.669 20 0 DHADHM Cc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826298139 947862875 /nfs/dbraw/zinc/86/28/75/947862875.db2.gz FURSMOTXIBXNIF-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826298139 947862879 /nfs/dbraw/zinc/86/28/79/947862879.db2.gz FURSMOTXIBXNIF-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM CC[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cn1 ZINC001589568409 948887102 /nfs/dbraw/zinc/88/71/02/948887102.db2.gz LUBGBSZDOFEZGW-HLLBOEOZSA-N -1 3 314.360 3.575 20 0 DHADHM O=C([O-])CC[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000263089248 950257437 /nfs/dbraw/zinc/25/74/37/950257437.db2.gz IRFJWUGLCOTWAO-GFCCVEGCSA-N -1 3 313.800 3.598 20 0 DHADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001576217339 950759399 /nfs/dbraw/zinc/75/93/99/950759399.db2.gz NCBFPNPOAFRHTG-APPDUMDISA-N -1 3 323.375 3.741 20 0 DHADHM C[C@H]1CCc2ccccc2[C@@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001576217339 950759408 /nfs/dbraw/zinc/75/94/08/950759408.db2.gz NCBFPNPOAFRHTG-APPDUMDISA-N -1 3 323.375 3.741 20 0 DHADHM C[C@@H](CSc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001575185334 952431495 /nfs/dbraw/zinc/43/14/95/952431495.db2.gz PMCMPINMBJQOFX-NSHDSACASA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H](CSc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001575185334 952431498 /nfs/dbraw/zinc/43/14/98/952431498.db2.gz PMCMPINMBJQOFX-NSHDSACASA-N -1 3 303.435 3.570 20 0 DHADHM Cc1ccccc1CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470136 954086273 /nfs/dbraw/zinc/08/62/73/954086273.db2.gz OTBMXKOLYSGFDH-LJQANCHMSA-N -1 3 309.409 3.612 20 0 DHADHM C[C@H]1CCN(CCc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC001589355540 954133319 /nfs/dbraw/zinc/13/33/19/954133319.db2.gz SJSPDEZJMITYPA-CMPLNLGQSA-N -1 3 316.228 3.579 20 0 DHADHM COC(=O)c1ccc(-c2nc(-c3oc4ccccc4c3C)no2)[n-]1 ZINC000426437475 1013228800 /nfs/dbraw/zinc/22/88/00/1013228800.db2.gz WZKYWEQTAUVVTO-UHFFFAOYSA-N -1 3 323.308 3.573 20 0 DHADHM [O-]c1cccnc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000579885981 1013254399 /nfs/dbraw/zinc/25/43/99/1013254399.db2.gz UKYJLIPRAPKYSF-HNNXBMFYSA-N -1 3 320.845 3.731 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000263421080 962592612 /nfs/dbraw/zinc/59/26/12/962592612.db2.gz OVOOWKZHXRCCMZ-UHFFFAOYSA-N -1 3 301.308 3.549 20 0 DHADHM O=C([O-])[C@H]1CN(CCc2ccc(Cl)cc2)Cc2ccccc21 ZINC000308413234 963273221 /nfs/dbraw/zinc/27/32/21/963273221.db2.gz JFADOQZQOOXENH-KRWDZBQOSA-N -1 3 315.800 3.567 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)C[C@H](C)CC)nc2)n1 ZINC000579901278 1013427594 /nfs/dbraw/zinc/42/75/94/1013427594.db2.gz HVAOWHNBSIIRIG-CYBMUJFWSA-N -1 3 314.433 3.679 20 0 DHADHM CC[C@@H](c1ccc(F)cc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315945421 963957101 /nfs/dbraw/zinc/95/71/01/963957101.db2.gz HVPRFTJBODWTMZ-GXTWGEPZSA-N -1 3 319.298 3.616 20 0 DHADHM COc1c(C)cc(Cl)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001167278154 1013496397 /nfs/dbraw/zinc/49/63/97/1013496397.db2.gz KLSKPFSCKWXWNI-UHFFFAOYSA-N -1 3 323.751 3.683 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@]1(C)C(=O)[O-] ZINC000520241835 1013685600 /nfs/dbraw/zinc/68/56/00/1013685600.db2.gz OAHQJESZPHFZHI-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM O=C(CSc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000520263546 1013693144 /nfs/dbraw/zinc/69/31/44/1013693144.db2.gz ZBBAVVFVIPEWCY-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000188355958 1013698833 /nfs/dbraw/zinc/69/88/33/1013698833.db2.gz UEBBCBPRWGGTNL-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1cccc(F)c1N1CCOCC1 ZINC001210223570 1013714555 /nfs/dbraw/zinc/71/45/55/1013714555.db2.gz SMNJFQULPYVCKR-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM CSc1ccccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652471212 968636613 /nfs/dbraw/zinc/63/66/13/968636613.db2.gz WZEGTOROEKHFAM-MRXNPFEDSA-N -1 3 313.422 3.593 20 0 DHADHM CCCCC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(C)(C)C ZINC000734505869 1020615152 /nfs/dbraw/zinc/61/51/52/1020615152.db2.gz UKWKUIAFQBBHTH-CYBMUJFWSA-N -1 3 316.467 3.565 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903689503 969587926 /nfs/dbraw/zinc/58/79/26/969587926.db2.gz IVOAGGCEJSGTSL-DTWKUNHWSA-N -1 3 307.337 3.609 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 ZINC000616493610 1013976668 /nfs/dbraw/zinc/97/66/68/1013976668.db2.gz QKLGIGWLMJDTEP-INIZCTEOSA-N -1 3 317.454 3.931 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592494 1013997587 /nfs/dbraw/zinc/99/75/87/1013997587.db2.gz CPPNGUXBMTWBSD-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1SC(F)F ZINC000155592494 1013997591 /nfs/dbraw/zinc/99/75/91/1013997591.db2.gz CPPNGUXBMTWBSD-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM O=c1cc(C(F)(F)F)nc(C=Cc2scnc2C2CC2)[n-]1 ZINC000656106061 1014002674 /nfs/dbraw/zinc/00/26/74/1014002674.db2.gz KPASVAUNSDAXHD-ONEGZZNKSA-N -1 3 313.304 3.705 20 0 DHADHM [O-]c1cccc(Nc2ccc(-c3cc(CO)on3)cc2)c1Cl ZINC001210859765 1014074708 /nfs/dbraw/zinc/07/47/08/1014074708.db2.gz NJRVPNJLBKQDDK-UHFFFAOYSA-N -1 3 316.744 3.937 20 0 DHADHM O=C([O-])c1ccc(CN2CCC3(CCSCC3)CC2)c(F)c1 ZINC000634696388 1014114310 /nfs/dbraw/zinc/11/43/10/1014114310.db2.gz WEHOCZZWQLRZNC-UHFFFAOYSA-N -1 3 323.433 3.633 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccccc3)nc2)n1 ZINC000068621168 1014152612 /nfs/dbraw/zinc/15/26/12/1014152612.db2.gz KBGVKHCOUXCTAL-CYBMUJFWSA-N -1 3 320.396 3.567 20 0 DHADHM CC(C)c1ncc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417589394 973964011 /nfs/dbraw/zinc/96/40/11/973964011.db2.gz AOWUCGKZRPBZDU-OAHLLOKOSA-N -1 3 318.442 3.962 20 0 DHADHM CC(C)Cc1nsc([N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656226842 1014153881 /nfs/dbraw/zinc/15/38/81/1014153881.db2.gz JKIYSPMTXYLATP-UWVGGRQHSA-N -1 3 323.384 3.649 20 0 DHADHM CCN(CCOc1ccccc1C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000521070842 974343867 /nfs/dbraw/zinc/34/38/67/974343867.db2.gz MXKALDKMOLGJJR-AWEZNQCLSA-N -1 3 317.385 3.748 20 0 DHADHM C[C@H](c1ccccc1)N(Cc1oncc1C(=O)[O-])CC1CCC1 ZINC000563282304 974527331 /nfs/dbraw/zinc/52/73/31/974527331.db2.gz IMAVVEVNRIMJAR-CYBMUJFWSA-N -1 3 314.385 3.736 20 0 DHADHM Cc1ccc2ncc(CN3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc2c1 ZINC000629377530 975091054 /nfs/dbraw/zinc/09/10/54/975091054.db2.gz NBTJGTTUJKQZJH-ZIFCJYIRSA-N -1 3 324.424 3.618 20 0 DHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1ncc(C(C)(C)C)s1 ZINC000417539628 1014300209 /nfs/dbraw/zinc/30/02/09/1014300209.db2.gz VVDHSWPXCJBYII-NWDGAFQWSA-N -1 3 312.479 3.810 20 0 DHADHM CC(C)c1[nH]c(CN2CCC3(CCCC3)CC2)cc1C(=O)[O-] ZINC001591912495 976348500 /nfs/dbraw/zinc/34/85/00/976348500.db2.gz NXVKEQLHKBXBHM-UHFFFAOYSA-N -1 3 304.434 3.993 20 0 DHADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001141623172 1014346770 /nfs/dbraw/zinc/34/67/70/1014346770.db2.gz XRZUAWURCNZZAP-YMTOWFKASA-N -1 3 312.207 3.920 20 0 DHADHM Cc1cc(Nc2cc(F)c([O-])cc2F)cnc1Br ZINC001215570958 1014480729 /nfs/dbraw/zinc/48/07/29/1014480729.db2.gz SAZOQPRDPAEWLK-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM O=C(/C=C/c1ccco1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160707692 1014482644 /nfs/dbraw/zinc/48/26/44/1014482644.db2.gz UUQWBIUUKAHZFT-BQYQJAHWSA-N -1 3 311.259 3.560 20 0 DHADHM [O-]c1cc(F)c(Nc2ncc(Br)cc2F)cc1F ZINC001215571107 1014483330 /nfs/dbraw/zinc/48/33/30/1014483330.db2.gz YKYKJBCLAMPFBI-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM COc1ccc(CN(C)Cc2cccc([O-])c2Cl)cc1C ZINC000508010626 1014539781 /nfs/dbraw/zinc/53/97/81/1014539781.db2.gz YFWBQSIVQJJCRS-UHFFFAOYSA-N -1 3 305.805 3.995 20 0 DHADHM Cc1cnc(F)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001211508193 1014546384 /nfs/dbraw/zinc/54/63/84/1014546384.db2.gz CJGIYYQACUDYCF-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM C[C@H](CSc1ccccc1)N(C)Cc1occc1C(=O)[O-] ZINC001592831998 979562208 /nfs/dbraw/zinc/56/22/08/979562208.db2.gz KXOWKLBTEVIDIF-GFCCVEGCSA-N -1 3 305.399 3.590 20 0 DHADHM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@@]1(C)C(=O)[O-] ZINC000581196152 1014610460 /nfs/dbraw/zinc/61/04/60/1014610460.db2.gz LAEGGTKBQIVKDV-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM CC(C)c1cnc(CNC[C@H](CC2CCCC2)C(=O)[O-])s1 ZINC000900082929 980248842 /nfs/dbraw/zinc/24/88/42/980248842.db2.gz AZFUMSVDMXHQBN-ZDUSSCGKSA-N -1 3 310.463 3.637 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000901416372 980262004 /nfs/dbraw/zinc/26/20/04/980262004.db2.gz GGDXBBDPPVIENM-SNVBAGLBSA-N -1 3 301.308 3.636 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)cc1 ZINC000442236269 1014650714 /nfs/dbraw/zinc/65/07/14/1014650714.db2.gz LUIIHKJUYNCZNA-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CCC[C@@H](C)C1)CC2 ZINC000901552778 980378626 /nfs/dbraw/zinc/37/86/26/980378626.db2.gz WDTJYKOGZMIIGD-KGLIPLIRSA-N -1 3 317.429 3.578 20 0 DHADHM CC[C@H](NCc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595304251 980438282 /nfs/dbraw/zinc/43/82/82/980438282.db2.gz BYPPRQZREZFKTM-AWEZNQCLSA-N -1 3 305.399 3.696 20 0 DHADHM C[C@@H](NC1CC(C)(c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901910818 980622319 /nfs/dbraw/zinc/62/23/19/980622319.db2.gz IZHFXMZYEZEFCM-FFLHNBHYSA-N -1 3 316.426 3.612 20 0 DHADHM C[C@H](NC1CC(C)(c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901910815 980622450 /nfs/dbraw/zinc/62/24/50/980622450.db2.gz IZHFXMZYEZEFCM-BLQFLSLASA-N -1 3 316.426 3.612 20 0 DHADHM Cc1ccc(CC[C@@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911699 980623567 /nfs/dbraw/zinc/62/35/67/980623567.db2.gz MGJUGXFBGLHACY-OLZOCXBDSA-N -1 3 318.442 3.822 20 0 DHADHM CC[C@H](Cc1cccs1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912760 980625213 /nfs/dbraw/zinc/62/52/13/980625213.db2.gz RYDICCJPNBAVAD-VHSXEESVSA-N -1 3 310.444 3.575 20 0 DHADHM O=C([O-])c1occc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000902260966 980805319 /nfs/dbraw/zinc/80/53/19/980805319.db2.gz GIJYSEMGYRIHEH-CQSZACIVSA-N -1 3 305.761 3.798 20 0 DHADHM CCSc1ccc(CNCc2csc(C(=O)[O-])c2)cc1 ZINC000902336868 980838163 /nfs/dbraw/zinc/83/81/63/980838163.db2.gz QNSUCQYKTLACTG-UHFFFAOYSA-N -1 3 307.440 3.848 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000902348613 980843873 /nfs/dbraw/zinc/84/38/73/980843873.db2.gz JTKCCKWINXFMNF-SFHVURJKSA-N -1 3 317.360 3.589 20 0 DHADHM CCC1(CC)CN(Cc2cc(C(=O)[O-])ccc2F)CCS1 ZINC001595376189 980903339 /nfs/dbraw/zinc/90/33/39/980903339.db2.gz PPLOUSDSEYBREB-UHFFFAOYSA-N -1 3 311.422 3.632 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902530579 980923696 /nfs/dbraw/zinc/92/36/96/980923696.db2.gz MITDIPITOQUXEB-FOQNGQEVSA-N -1 3 317.307 3.540 20 0 DHADHM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1CCOC1CCCCC1 ZINC000903608697 980989916 /nfs/dbraw/zinc/98/99/16/980989916.db2.gz JZWCZUOKSQCKRP-ROUUACIJSA-N -1 3 317.429 3.626 20 0 DHADHM O=C([O-])c1ccc(CNC2(c3cccc(F)c3)CCC2)s1 ZINC000903690898 981015363 /nfs/dbraw/zinc/01/53/63/981015363.db2.gz WGZYNXSYTBEIFQ-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM CC1(C)C[C@@H](c2ccccc2)CN1Cc1nc(C(=O)[O-])cs1 ZINC000903935229 981055285 /nfs/dbraw/zinc/05/52/85/981055285.db2.gz VFTAJUXDNINTJY-CYBMUJFWSA-N -1 3 316.426 3.609 20 0 DHADHM C[C@@H]1CCC[C@H](CCN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC000903958863 981075995 /nfs/dbraw/zinc/07/59/95/981075995.db2.gz PPXJCAUKWGJGRR-HUUCEWRRSA-N -1 3 317.429 3.796 20 0 DHADHM C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726116 981124675 /nfs/dbraw/zinc/12/46/75/981124675.db2.gz HWPFNIZJVILNFY-ACJLOTCBSA-N -1 3 310.397 3.583 20 0 DHADHM O=C([O-])c1ccc2c(c1)OCCN(CCCC1CCCCC1)C2 ZINC000905799181 981156634 /nfs/dbraw/zinc/15/66/34/981156634.db2.gz QVIOFRSAENQHGT-UHFFFAOYSA-N -1 3 317.429 3.940 20 0 DHADHM CC[C@H]1Cc2ccccc2CN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595499874 981267971 /nfs/dbraw/zinc/26/79/71/981267971.db2.gz QMJGKICPWMWTNC-YDZSZYSISA-N -1 3 311.381 3.714 20 0 DHADHM CCC[C@H]1[C@H](C)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595619770 981681455 /nfs/dbraw/zinc/68/14/55/981681455.db2.gz NXUNESDZHKALGC-WBMJQRKESA-N -1 3 315.417 3.662 20 0 DHADHM CCc1cccc(C(=O)N2CCCc3c(OC)cccc32)c1[O-] ZINC000581388397 1014756981 /nfs/dbraw/zinc/75/69/81/1014756981.db2.gz LBHWCICVJRAAQM-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM CCC[C@@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595623590 981722730 /nfs/dbraw/zinc/72/27/30/981722730.db2.gz UGZGVFRIMVEHDY-MRXNPFEDSA-N -1 3 314.385 3.804 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)c2ccccc21 ZINC000521751587 1014783116 /nfs/dbraw/zinc/78/31/16/1014783116.db2.gz JHKWQWVYYZAPJT-LLVKDONJSA-N -1 3 324.359 3.641 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1cc(-c2ccccc2Cl)on1 ZINC001594824803 981982191 /nfs/dbraw/zinc/98/21/91/981982191.db2.gz FHBFLBOMCRJJRQ-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM CC[C@](C)(NCc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001594852423 982095178 /nfs/dbraw/zinc/09/51/78/982095178.db2.gz KZXGZRWIGHOQTD-SFHVURJKSA-N -1 3 301.361 3.939 20 0 DHADHM CCOc1cc(CN2CC[C@H](C)[C@@H](F)C2)cc(Cl)c1[O-] ZINC000656531891 1014807624 /nfs/dbraw/zinc/80/76/24/1014807624.db2.gz PKKHUPKRCUSGEV-GWCFXTLKSA-N -1 3 301.789 3.624 20 0 DHADHM CCCCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C(=O)[O-])o2)C1(C)C ZINC001595771132 982518755 /nfs/dbraw/zinc/51/87/55/982518755.db2.gz VRLBHVGZMRGJQD-KCPJHIHWSA-N -1 3 309.406 3.612 20 0 DHADHM CCN(Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596370989 983866181 /nfs/dbraw/zinc/86/61/81/983866181.db2.gz AEJGJXTUBJRGSR-OAHLLOKOSA-N -1 3 313.397 3.561 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1ccccc1 ZINC001596371013 983866292 /nfs/dbraw/zinc/86/62/92/983866292.db2.gz BEHLBHSXIZTAGT-UHFFFAOYSA-N -1 3 300.402 3.858 20 0 DHADHM Cn1ccnc1[C@@H]([N-]c1nc2cc(F)ccc2o1)c1ccccc1 ZINC000522263667 1014990880 /nfs/dbraw/zinc/99/08/80/1014990880.db2.gz CBRMDMVTNDUIIT-INIZCTEOSA-N -1 3 322.343 3.902 20 0 DHADHM O=C([N-]c1nc(C(F)(F)F)co1)c1cc(-c2ccccc2)no1 ZINC000648013190 1015053360 /nfs/dbraw/zinc/05/33/60/1015053360.db2.gz LAUKWEPLXHZPLD-UHFFFAOYSA-N -1 3 323.230 3.601 20 0 DHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000349879186 1015053774 /nfs/dbraw/zinc/05/37/74/1015053774.db2.gz JLXPINYYMCYNHW-NEPJUHHUSA-N -1 3 301.411 3.511 20 0 DHADHM O=C([O-])[C@H](CNCc1c(Cl)cccc1Cl)C1CCC1 ZINC000665362855 1015056163 /nfs/dbraw/zinc/05/61/63/1015056163.db2.gz NICSILRCZXKJKQ-SNVBAGLBSA-N -1 3 302.201 3.584 20 0 DHADHM C/C(=C/c1ccccc1)CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001589003572 984953916 /nfs/dbraw/zinc/95/39/16/984953916.db2.gz DXTLCTLTMJZHRB-GKUQOKNUSA-N -1 3 317.335 3.784 20 0 DHADHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597074817 986603135 /nfs/dbraw/zinc/60/31/35/986603135.db2.gz VULROJTWUYARSF-IAQYHMDHSA-N -1 3 305.399 3.623 20 0 DHADHM C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc([O-])c(F)c3)cc21 ZINC000895660700 1015246206 /nfs/dbraw/zinc/24/62/06/1015246206.db2.gz PHGYOLLXJMDIOL-LLVKDONJSA-N -1 3 314.360 3.613 20 0 DHADHM CCOc1ccccc1[C@@H](C)NCc1ccccc1CC(=O)[O-] ZINC001597173629 987020503 /nfs/dbraw/zinc/02/05/03/987020503.db2.gz ZTCFFDNBQOKAFE-CQSZACIVSA-N -1 3 313.397 3.563 20 0 DHADHM CC[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccc(C)c(F)c1 ZINC001597349318 987484637 /nfs/dbraw/zinc/48/46/37/987484637.db2.gz GBWZPLJWDXBKDQ-INIZCTEOSA-N -1 3 304.365 3.710 20 0 DHADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001597349328 987485079 /nfs/dbraw/zinc/48/50/79/987485079.db2.gz GSFVAAUWTRQKIE-JKSUJKDBSA-N -1 3 305.324 3.831 20 0 DHADHM CC[C@H](N[C@@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1F ZINC001597349500 987485990 /nfs/dbraw/zinc/48/59/90/987485990.db2.gz MBQCTCCIGPCVIZ-DLBZAZTESA-N -1 3 317.360 3.701 20 0 DHADHM CCc1[nH]c(CNC(C)(C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001597392363 987624880 /nfs/dbraw/zinc/62/48/80/987624880.db2.gz QSAUAVRGKYLUBJ-UHFFFAOYSA-N -1 3 320.820 3.954 20 0 DHADHM Cc1c(C(=O)[N-]c2ccnc(Cl)c2F)oc2c1C(=O)CCC2 ZINC000891506931 1015339215 /nfs/dbraw/zinc/33/92/15/1015339215.db2.gz WUILNKZYJDQVGU-UHFFFAOYSA-N -1 3 322.723 3.547 20 0 DHADHM CCCOc1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000053795426 1015360987 /nfs/dbraw/zinc/36/09/87/1015360987.db2.gz SGQFXSDCDTWQFQ-UHFFFAOYSA-N -1 3 322.364 3.569 20 0 DHADHM CCc1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])cs1)CCO2 ZINC001597569412 988334889 /nfs/dbraw/zinc/33/48/89/988334889.db2.gz UPAUQPKJCXEINZ-OAHLLOKOSA-N -1 3 317.410 3.622 20 0 DHADHM CSc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC001599813045 988371429 /nfs/dbraw/zinc/37/14/29/988371429.db2.gz JNVICZZXZONUAU-UHFFFAOYSA-N -1 3 319.426 3.869 20 0 DHADHM CSc1cccc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC001599824502 988574596 /nfs/dbraw/zinc/57/45/96/988574596.db2.gz YRWIXKHFNITAAU-KRWDZBQOSA-N -1 3 319.401 3.637 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597636997 988621213 /nfs/dbraw/zinc/62/12/13/988621213.db2.gz TXGNBPDYJGHWOM-BDJLRTHQSA-N -1 3 318.804 3.774 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccccc1Cl ZINC000034777362 1015488763 /nfs/dbraw/zinc/48/87/63/1015488763.db2.gz OPIAADOAJPSVMW-OAHLLOKOSA-N -1 3 317.772 3.729 20 0 DHADHM CC(C)(C)Oc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001590420058 989962961 /nfs/dbraw/zinc/96/29/61/989962961.db2.gz MBSDVBVZTUXJAS-UHFFFAOYSA-N -1 3 319.426 3.913 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1Cl ZINC000657054531 1015546108 /nfs/dbraw/zinc/54/61/08/1015546108.db2.gz UEJDUXCYVKJCJU-NOZJJQNGSA-N -1 3 320.241 3.523 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000648164270 1015547397 /nfs/dbraw/zinc/54/73/97/1015547397.db2.gz OEQMUKHIXKIYKF-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM O=C(c1ccccc1[O-])N(Cc1ccco1)Cc1cccs1 ZINC000013831429 1015582743 /nfs/dbraw/zinc/58/27/43/1015582743.db2.gz GUGCEFMFDHMIBO-UHFFFAOYSA-N -1 3 313.378 3.889 20 0 DHADHM CCCc1nnc([N-]C(=O)c2scc(C)c2Cl)s1 ZINC000276823373 1015683496 /nfs/dbraw/zinc/68/34/96/1015683496.db2.gz MXOIOWKXHORTOS-UHFFFAOYSA-N -1 3 301.824 3.766 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/CCOc1ccccc1 ZINC000022729357 1015711930 /nfs/dbraw/zinc/71/19/30/1015711930.db2.gz VRQMNCYVLHVUHT-GZTJUZNOSA-N -1 3 320.186 3.653 20 0 DHADHM CN(Cc1cccc(C(=O)[O-])c1)Cc1ccc(F)c(Cl)c1 ZINC001598525762 992718344 /nfs/dbraw/zinc/71/83/44/992718344.db2.gz YKLPNXXWLLJWJN-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(O)cc1[O-] ZINC000192457406 1015766791 /nfs/dbraw/zinc/76/67/91/1015766791.db2.gz VMTDGDROXFCTBM-UHFFFAOYSA-N -1 3 319.788 3.802 20 0 DHADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)[C@H]1Oc2ccccc2[C@@H]1C ZINC001593195822 994150135 /nfs/dbraw/zinc/15/01/35/994150135.db2.gz FZGAUEJWYLUMDY-PXDYOCJYSA-N -1 3 315.369 3.582 20 0 DHADHM C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593198430 994171391 /nfs/dbraw/zinc/17/13/91/994171391.db2.gz RBYWWCWTISYAKU-VXGBXAGGSA-N -1 3 318.442 3.858 20 0 DHADHM C[C@H](NCC[C@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593265399 994572451 /nfs/dbraw/zinc/57/24/51/994572451.db2.gz SJEVJXUFPADYCH-WCQYABFASA-N -1 3 316.426 3.612 20 0 DHADHM COc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599657302 994601843 /nfs/dbraw/zinc/60/18/43/994601843.db2.gz MLLWFJMNYORCAW-ZBEGNZNMSA-N -1 3 319.788 3.825 20 0 DHADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC001599673800 994861442 /nfs/dbraw/zinc/86/14/42/994861442.db2.gz KHTRAACVPAQGOP-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000342063236 1015904106 /nfs/dbraw/zinc/90/41/06/1015904106.db2.gz NSNSOGVSTZRYJZ-ZDUSSCGKSA-N -1 3 322.368 3.513 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CC(F)(F)F)C1 ZINC001593690510 996136038 /nfs/dbraw/zinc/13/60/38/996136038.db2.gz RRAOSVGLSDMJGU-VHSXEESVSA-N -1 3 305.296 3.703 20 0 DHADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H](C2CCCC2)C1 ZINC001593732766 996314913 /nfs/dbraw/zinc/31/49/13/996314913.db2.gz YXGCCMNWMDGAOA-AAEUAGOBSA-N -1 3 308.447 3.805 20 0 DHADHM CCn1nccc1C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294745424 1032139205 /nfs/dbraw/zinc/13/92/05/1032139205.db2.gz RAMFKBWRTVCXJI-UHFFFAOYSA-N -1 3 319.836 3.642 20 0 DHADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594213739 998824289 /nfs/dbraw/zinc/82/42/89/998824289.db2.gz FYCMBDYCDSMQSA-WCBMZHEXSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1CCC[C@H](C2CN(Cc3ccc(C(=O)[O-])c(F)c3)C2)C1 ZINC001594344977 999304901 /nfs/dbraw/zinc/30/49/01/999304901.db2.gz LASHEOBXZRYCMF-OCCSQVGLSA-N -1 3 305.393 3.782 20 0 DHADHM O=C(NCC12CCC(CC1)C2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622466531 1016425266 /nfs/dbraw/zinc/42/52/66/1016425266.db2.gz KCEFHVUZJRSRGA-UHFFFAOYSA-N -1 3 313.319 3.721 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC(C)(C)C1 ZINC000622506775 1016440320 /nfs/dbraw/zinc/44/03/20/1016440320.db2.gz UBBXWEUXATYXCS-SNVBAGLBSA-N -1 3 315.335 3.919 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000622544848 1016457393 /nfs/dbraw/zinc/45/73/93/1016457393.db2.gz VVNICTGBIKDXFQ-LBPRGKRZSA-N -1 3 303.324 3.661 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)(C)C)CC2)o1 ZINC001211541038 1016481853 /nfs/dbraw/zinc/48/18/53/1016481853.db2.gz LLQWKRWPDRBFCN-UONOGXRCSA-N -1 3 313.463 3.861 20 0 DHADHM CCc1ccc(C(=O)Nc2ccccc2OCCF)c([O-])c1 ZINC000622629346 1016492066 /nfs/dbraw/zinc/49/20/66/1016492066.db2.gz KLTKVVIPGHYSAL-UHFFFAOYSA-N -1 3 303.333 3.555 20 0 DHADHM CCC1(CC)[C@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C[C@@H]1OC ZINC000563283309 1016502123 /nfs/dbraw/zinc/50/21/23/1016502123.db2.gz XUCUDMDTIVIRLE-CVEARBPZSA-N -1 3 323.408 3.549 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Cl)cnc2OC(C)C)c1[O-] ZINC000622649090 1016506751 /nfs/dbraw/zinc/50/67/51/1016506751.db2.gz AIGOMNOVZWICRY-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM O=C(c1ccccc1[O-])N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000622661061 1016513917 /nfs/dbraw/zinc/51/39/17/1016513917.db2.gz WPFFWCGFGJRQOO-UHFFFAOYSA-N -1 3 321.298 3.651 20 0 DHADHM Cc1ccc([C@@H](NCc2cnc(C)[n-]c2=O)c2ccccc2)cc1 ZINC000346805863 1016555392 /nfs/dbraw/zinc/55/53/92/1016555392.db2.gz JHDCWUYZGBWWQE-IBGZPJMESA-N -1 3 319.408 3.678 20 0 DHADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])n1cnc2ccccc21 ZINC000171742723 1016595208 /nfs/dbraw/zinc/59/52/08/1016595208.db2.gz XGSBGBGCGGAKTG-JTQLQIEISA-N -1 3 315.760 3.595 20 0 DHADHM CC1(C)CC(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC001211546294 1016788261 /nfs/dbraw/zinc/78/82/61/1016788261.db2.gz CDUGRQHLGPWKJP-UHFFFAOYSA-N -1 3 322.257 3.708 20 0 DHADHM CC(C)N(CC1CC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623016850 1016827874 /nfs/dbraw/zinc/82/78/74/1016827874.db2.gz KHNPKPKKEZPTCJ-UHFFFAOYSA-N -1 3 301.308 3.672 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3CCc4ccc(F)cc43)c[n-]c12 ZINC000185344041 1016868646 /nfs/dbraw/zinc/86/86/46/1016868646.db2.gz ROKULUAQNKMAPN-UHFFFAOYSA-N -1 3 322.339 3.591 20 0 DHADHM Cc1cccc(C2=CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000192718957 1016991968 /nfs/dbraw/zinc/99/19/68/1016991968.db2.gz VRPPFKKNFDGOJC-OAHLLOKOSA-N -1 3 309.413 3.649 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000176803027 1017040205 /nfs/dbraw/zinc/04/02/05/1017040205.db2.gz KKILCKMXNLUBLA-KRWDZBQOSA-N -1 3 317.820 3.639 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)o1 ZINC001146543048 1032229667 /nfs/dbraw/zinc/22/96/67/1032229667.db2.gz NRJDYIYOGIGJRN-IAQYHMDHSA-N -1 3 303.333 3.585 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4N3)n2)cc1F ZINC000322769286 1032236022 /nfs/dbraw/zinc/23/60/22/1032236022.db2.gz BOQBRRRZWSUIKJ-GDLCADMTSA-N -1 3 317.364 3.565 20 0 DHADHM C[C@H]1C[C@H](C)CN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238306678 1017078837 /nfs/dbraw/zinc/07/88/37/1017078837.db2.gz ARQRENIANHURNB-UWVGGRQHSA-N -1 3 316.214 3.772 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001147315432 1032300186 /nfs/dbraw/zinc/30/01/86/1032300186.db2.gz NBSQACBZKWEBRL-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC001147869174 1032350525 /nfs/dbraw/zinc/35/05/25/1032350525.db2.gz UGOLOAWNTPQSHQ-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccc(C)o2)c1 ZINC001147910382 1032352705 /nfs/dbraw/zinc/35/27/05/1032352705.db2.gz PUICEDVWCUABFX-LLVKDONJSA-N -1 3 319.426 3.767 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)ccc1[O-] ZINC001148668853 1032431245 /nfs/dbraw/zinc/43/12/45/1032431245.db2.gz LGXKUDVSYCMPRZ-FZMZJTMJSA-N -1 3 303.402 3.539 20 0 DHADHM CCO[C@H](CCNC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001148996591 1032456767 /nfs/dbraw/zinc/45/67/67/1032456767.db2.gz ISYDKLDSTYSECI-QGZVFWFLSA-N -1 3 307.434 3.697 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccco2)Cc2ccc(O)cc2)n1 ZINC000093015419 1032519865 /nfs/dbraw/zinc/51/98/65/1032519865.db2.gz LAQLTJWLBOXBJN-UHFFFAOYSA-N -1 3 324.380 3.597 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1[O-] ZINC000537642329 1032547178 /nfs/dbraw/zinc/54/71/78/1032547178.db2.gz PGGDCANQEKZGKY-HNNXBMFYSA-N -1 3 322.408 3.584 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCC[C@H](F)C1 ZINC000424743361 1012115928 /nfs/dbraw/zinc/11/59/28/1012115928.db2.gz WGNDBNDEOSKGQF-IUCAKERBSA-N -1 3 305.271 3.878 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(Br)cs1 ZINC000153923955 1012142965 /nfs/dbraw/zinc/14/29/65/1012142965.db2.gz VDJJVENCRZKEFU-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM CCCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000683170584 1012231580 /nfs/dbraw/zinc/23/15/80/1012231580.db2.gz DGHLECXZTLJHJC-UHFFFAOYSA-N -1 3 313.397 3.854 20 0 DHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2)cc1 ZINC000683171403 1012238307 /nfs/dbraw/zinc/23/83/07/1012238307.db2.gz JSTSJOXXXYIFIM-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2)cc1 ZINC000683171404 1012238600 /nfs/dbraw/zinc/23/86/00/1012238600.db2.gz JSTSJOXXXYIFIM-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@@H](CCCC(=O)[O-])NCc1c(Cl)cccc1OC(F)F ZINC000683171621 1012241127 /nfs/dbraw/zinc/24/11/27/1012241127.db2.gz NJFXHXOTFNPQDV-VIFPVBQESA-N -1 3 321.751 3.674 20 0 DHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)c1ccccc1 ZINC000011809247 1032618181 /nfs/dbraw/zinc/61/81/81/1032618181.db2.gz BIBWLIHSRQPZAI-MRVPVSSYSA-N -1 3 312.152 3.750 20 0 DHADHM O=[S@@](Cc1ccc(C(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000108084280 1012367438 /nfs/dbraw/zinc/36/74/38/1012367438.db2.gz NOGZROJPESNUHB-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM COc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000109037208 1012406825 /nfs/dbraw/zinc/40/68/25/1012406825.db2.gz FSMPXSJZJQHJAK-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)c1 ZINC000655133262 1012476278 /nfs/dbraw/zinc/47/62/78/1012476278.db2.gz DEERFUYZXGLFLI-MRXNPFEDSA-N -1 3 324.424 3.849 20 0 DHADHM COc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1[O-] ZINC000683224901 1012499233 /nfs/dbraw/zinc/49/92/33/1012499233.db2.gz ABQASJCYJXJKDD-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM CC(C)C1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000579843214 1012525399 /nfs/dbraw/zinc/52/53/99/1012525399.db2.gz XTZGABKCELNKIZ-OAHLLOKOSA-N -1 3 313.800 3.973 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2c3c(cccc31)CC2 ZINC000154380353 1012700010 /nfs/dbraw/zinc/70/00/10/1012700010.db2.gz AYNUEODCOXPCEF-INIZCTEOSA-N -1 3 312.369 3.518 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2c3c(cccc31)CC2 ZINC000154380353 1012700014 /nfs/dbraw/zinc/70/00/14/1012700014.db2.gz AYNUEODCOXPCEF-INIZCTEOSA-N -1 3 312.369 3.518 20 0 DHADHM CC1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646899087 1013010648 /nfs/dbraw/zinc/01/06/48/1013010648.db2.gz POAKXRFMWPVLMA-LBPRGKRZSA-N -1 3 301.308 3.720 20 0 DHADHM CC(C)Nc1ncccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000339006838 1032680501 /nfs/dbraw/zinc/68/05/01/1032680501.db2.gz DNXRONACLNASBQ-UHFFFAOYSA-N -1 3 305.765 3.513 20 0 DHADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)ncc1Br ZINC001213370206 1017129843 /nfs/dbraw/zinc/12/98/43/1017129843.db2.gz ADAZUXDCCKUZIK-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2cccc([O-])c2F)s1 ZINC000179156573 1017218106 /nfs/dbraw/zinc/21/81/06/1017218106.db2.gz XRBFIYAUEJTFFW-UHFFFAOYSA-N -1 3 307.346 3.503 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccn1Cc1cccs1 ZINC000179153207 1017219074 /nfs/dbraw/zinc/21/90/74/1017219074.db2.gz LWWDTIDGVSNYEK-UHFFFAOYSA-N -1 3 316.357 3.695 20 0 DHADHM COc1cc(F)c(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000342852167 1017581354 /nfs/dbraw/zinc/58/13/54/1017581354.db2.gz MMTLOSCGWAIPBI-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3CCc4c3cccc4F)c[n-]c12 ZINC000186054423 1017669096 /nfs/dbraw/zinc/66/90/96/1017669096.db2.gz NALGGGMDASJGAT-UHFFFAOYSA-N -1 3 322.339 3.591 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000625711723 1017789470 /nfs/dbraw/zinc/78/94/70/1017789470.db2.gz CQESIQNPWQOIKE-INIZCTEOSA-N -1 3 313.422 3.631 20 0 DHADHM Cc1ccc(-c2nc(Cc3nccc4ccccc43)no2)c([O-])c1 ZINC000445523959 1017895102 /nfs/dbraw/zinc/89/51/02/1017895102.db2.gz KGLSJKJKUHQBJN-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM Cc1cc(Cl)ccc1Cc1noc(-c2ccccc2[O-])n1 ZINC000445589721 1017917190 /nfs/dbraw/zinc/91/71/90/1017917190.db2.gz WHUCDNPEKDFEDZ-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM CCc1nnsc1C(=O)[N-]c1ccccc1SC(C)C ZINC000122085021 1017951171 /nfs/dbraw/zinc/95/11/71/1017951171.db2.gz CZMDLSIKSRPJTM-UHFFFAOYSA-N -1 3 307.444 3.853 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000625727515 1017960168 /nfs/dbraw/zinc/96/01/68/1017960168.db2.gz YYXYGZVITNYKAX-HIFRSBDPSA-N -1 3 313.372 3.858 20 0 DHADHM COc1cc(C(C)=O)ccc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000123248194 1018055455 /nfs/dbraw/zinc/05/54/55/1018055455.db2.gz BVTNHWXDLYYVFP-LLVKDONJSA-N -1 3 318.398 3.555 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000343076739 1018100010 /nfs/dbraw/zinc/10/00/10/1018100010.db2.gz GMVBOCRSFWGWOB-HZPDHXFCSA-N -1 3 304.349 3.683 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(O)c1 ZINC000339427417 1018231734 /nfs/dbraw/zinc/23/17/34/1018231734.db2.gz ZFUHNQWBXVLDJN-LBPRGKRZSA-N -1 3 307.349 3.742 20 0 DHADHM O=C(Nc1ccc2n[nH]cc2c1)c1cc([O-])c2ccccc2c1 ZINC000339433018 1018234911 /nfs/dbraw/zinc/23/49/11/1018234911.db2.gz UIFVYSPLZDXQKK-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193294802 1018266961 /nfs/dbraw/zinc/26/69/61/1018266961.db2.gz KWYFEMJYGZMADN-SNVBAGLBSA-N -1 3 305.761 3.584 20 0 DHADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)c(OCCC)c1 ZINC000764433077 1018280831 /nfs/dbraw/zinc/28/08/31/1018280831.db2.gz BKGDZGPAXIQCOX-VURMDHGXSA-N -1 3 314.385 3.930 20 0 DHADHM [O-]c1cc(Cl)c(CN2CCC3(CCOC3)CC2)c(Cl)c1 ZINC001142105546 1018316001 /nfs/dbraw/zinc/31/60/01/1018316001.db2.gz FJROUXZWQYBRNK-UHFFFAOYSA-N -1 3 316.228 3.702 20 0 DHADHM [O-]c1cc(Cl)c(CN2CC3(C2)CC(F)(F)C3)c(Cl)c1 ZINC001142106025 1018321261 /nfs/dbraw/zinc/32/12/61/1018321261.db2.gz WXAOBRXZFFTXGZ-UHFFFAOYSA-N -1 3 308.155 3.930 20 0 DHADHM COc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c([O-])c1 ZINC000315249679 1032760747 /nfs/dbraw/zinc/76/07/47/1032760747.db2.gz VYVBHOGYBIVNFR-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3)s2)S1 ZINC000874928829 1032762757 /nfs/dbraw/zinc/76/27/57/1032762757.db2.gz WMVVMAWFQJWBDA-GHXNOFRVSA-N -1 3 305.355 3.878 20 0 DHADHM CCc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000526072208 1018449159 /nfs/dbraw/zinc/44/91/59/1018449159.db2.gz CTQISLWFJOBCRU-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM Cc1c(F)ccc(-c2noc(-c3ccc([O-])cn3)n2)c1Cl ZINC001212558216 1018465543 /nfs/dbraw/zinc/46/55/43/1018465543.db2.gz XESSJIURPCKLAP-UHFFFAOYSA-N -1 3 305.696 3.605 20 0 DHADHM COc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c2ccccc12 ZINC001212558967 1018468625 /nfs/dbraw/zinc/46/86/25/1018468625.db2.gz OKAIHTJTHGMHEE-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)s1 ZINC000527108701 1018515512 /nfs/dbraw/zinc/51/55/12/1018515512.db2.gz WSHLLRPPEZGGBX-VIFPVBQESA-N -1 3 320.805 3.554 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc2c(o1)c(F)ccc2C ZINC000935119505 1018716268 /nfs/dbraw/zinc/71/62/68/1018716268.db2.gz AJNOGULHFSWHMF-UHFFFAOYSA-N -1 3 302.305 3.991 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)CC)c2)n1 ZINC000263806933 1032785575 /nfs/dbraw/zinc/78/55/75/1032785575.db2.gz UFNQYSUCPLUTQF-UHFFFAOYSA-N -1 3 313.401 3.786 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1F ZINC000756332939 1018797541 /nfs/dbraw/zinc/79/75/41/1018797541.db2.gz NUAAGUOJLUGQIC-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000073130454 1018814624 /nfs/dbraw/zinc/81/46/24/1018814624.db2.gz FHWOBEQGUZNSPM-JTQLQIEISA-N -1 3 302.374 3.611 20 0 DHADHM CC(C)Cn1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000354586736 1018828708 /nfs/dbraw/zinc/82/87/08/1018828708.db2.gz BHGRVVKIPUORGL-UHFFFAOYSA-N -1 3 309.369 3.650 20 0 DHADHM CC(C)c1nc(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cs1 ZINC001116762626 1018833153 /nfs/dbraw/zinc/83/31/53/1018833153.db2.gz VHHKVFJIZFYLLH-MLGOLLRUSA-N -1 3 310.463 3.637 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Cl)ccc1Cl ZINC000133157770 1018884914 /nfs/dbraw/zinc/88/49/14/1018884914.db2.gz WSEHGMVMRLVVRN-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM COc1ccccc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471616117 1018906049 /nfs/dbraw/zinc/90/60/49/1018906049.db2.gz BPZYPIVNBIRVHB-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c(C)cccc2[O-])s1 ZINC000625779865 1018932590 /nfs/dbraw/zinc/93/25/90/1018932590.db2.gz HDMJJKFAYKSHCG-GFCCVEGCSA-N -1 3 318.442 3.861 20 0 DHADHM [O-]c1cccnc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000584199248 1019019476 /nfs/dbraw/zinc/01/94/76/1019019476.db2.gz XWPQEJSQNVHGIK-CQSZACIVSA-N -1 3 311.410 3.734 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc3ccccc3o2)n1 ZINC000075444647 1019020840 /nfs/dbraw/zinc/02/08/40/1019020840.db2.gz ALUUOZPBJRYBAY-UHFFFAOYSA-N -1 3 301.371 3.834 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007428493 1019031739 /nfs/dbraw/zinc/03/17/39/1019031739.db2.gz DCSOXPXMGOADIQ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C([N-]c1csc(-c2ccccc2)n1)c1cc(C2CC2)no1 ZINC000672333145 1019147516 /nfs/dbraw/zinc/14/75/16/1019147516.db2.gz MHYUMOGFOKVDIS-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM CCOc1cc(CNc2ccc(SC)cn2)cc(Cl)c1[O-] ZINC000459431240 1019150370 /nfs/dbraw/zinc/15/03/70/1019150370.db2.gz JSRKNLBFFAXFSM-UHFFFAOYSA-N -1 3 324.833 4.173 20 0 DHADHM COc1cccc2sc(NC(=O)c3cc(C)ccc3[O-])nc21 ZINC000028841200 1019163694 /nfs/dbraw/zinc/16/36/94/1019163694.db2.gz WFUPGPQGPQPVBN-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CCN(Cc1ccoc1)Cc1cccc([O-])c1Br ZINC000656431426 1019173781 /nfs/dbraw/zinc/17/37/81/1019173781.db2.gz CYIXLOPDKOXNNT-UHFFFAOYSA-N -1 3 310.191 3.770 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1[O-] ZINC000081730009 1019220942 /nfs/dbraw/zinc/22/09/42/1019220942.db2.gz JABMJCIMANBYNS-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncccc1[O-] ZINC000036619908 1019262491 /nfs/dbraw/zinc/26/24/91/1019262491.db2.gz XLUPDEMELWLAFO-SECBINFHSA-N -1 3 308.790 3.560 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163547448 1019307806 /nfs/dbraw/zinc/30/78/06/1019307806.db2.gz ZOTMJZXYQZAEQB-HTQZYQBOSA-N -1 3 307.797 3.731 20 0 DHADHM Cc1ccsc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000075472742 1019322212 /nfs/dbraw/zinc/32/22/12/1019322212.db2.gz UCLGXCIRZXYBKL-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc2O1 ZINC000472086351 1019324937 /nfs/dbraw/zinc/32/49/37/1019324937.db2.gz WDNHYZYJXVBVPH-ZDUSSCGKSA-N -1 3 319.360 3.973 20 0 DHADHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1[O-] ZINC000043500211 1019351224 /nfs/dbraw/zinc/35/12/24/1019351224.db2.gz SBJAZZRUHJQQDM-UHFFFAOYSA-N -1 3 309.287 3.683 20 0 DHADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000043801054 1019363746 /nfs/dbraw/zinc/36/37/46/1019363746.db2.gz UYWNPXLUHHKHNV-VHSXEESVSA-N -1 3 322.257 3.850 20 0 DHADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])ncc1Br ZINC001212477828 1019397846 /nfs/dbraw/zinc/39/78/46/1019397846.db2.gz NNNCHBJUTRSWCV-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1[O-] ZINC000091676855 1019477525 /nfs/dbraw/zinc/47/75/25/1019477525.db2.gz WDONCZOEBWKJJD-LLVKDONJSA-N -1 3 315.344 3.521 20 0 DHADHM O=S(=O)(CCC1CC1)[N-]c1ccccc1OC1CCCC1 ZINC000092263864 1019489305 /nfs/dbraw/zinc/48/93/05/1019489305.db2.gz FJLQHMUKGQTZSF-UHFFFAOYSA-N -1 3 309.431 3.550 20 0 DHADHM CSc1ccc(Cl)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000092266377 1019489746 /nfs/dbraw/zinc/48/97/46/1019489746.db2.gz NWZYVCMOHUNXAI-UHFFFAOYSA-N -1 3 305.852 3.604 20 0 DHADHM O=C(Nc1ccc2c(c1)CCO2)c1cc([O-])c2ccccc2c1 ZINC000526882266 1019737733 /nfs/dbraw/zinc/73/77/33/1019737733.db2.gz KBCYCIIEMSIEFA-UHFFFAOYSA-N -1 3 305.333 3.733 20 0 DHADHM O=C(NCCCc1cccs1)c1cc([O-])c2ccccc2c1 ZINC000526920871 1019738925 /nfs/dbraw/zinc/73/89/25/1019738925.db2.gz PKEWYMLSVHOYKP-UHFFFAOYSA-N -1 3 311.406 3.970 20 0 DHADHM Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527455039 1019753265 /nfs/dbraw/zinc/75/32/65/1019753265.db2.gz OHVKOEDTKFIALA-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1csc2ccccc21 ZINC000729962476 1019930850 /nfs/dbraw/zinc/93/08/50/1019930850.db2.gz YUHIISFZLLERTQ-SNVBAGLBSA-N -1 3 313.378 3.804 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OC(F)F ZINC000067139119 1019973696 /nfs/dbraw/zinc/97/36/96/1019973696.db2.gz LFYRTSVYTFDVIR-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000685641111 1019995165 /nfs/dbraw/zinc/99/51/65/1019995165.db2.gz KAYDOBOHILKECC-SNVBAGLBSA-N -1 3 307.752 3.718 20 0 DHADHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068831986 1020040185 /nfs/dbraw/zinc/04/01/85/1020040185.db2.gz QXHIVXFJYDNKAX-UKRRQHHQSA-N -1 3 312.413 3.617 20 0 DHADHM C[C@H](C1CC1)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000093960923 1020072849 /nfs/dbraw/zinc/07/28/49/1020072849.db2.gz RYWZRBBGFMVDHB-CQSZACIVSA-N -1 3 309.409 3.854 20 0 DHADHM Cc1cc(C)c(CO[N-]C(=O)CCOc2ccccc2)c(C)c1 ZINC000731841388 1020156862 /nfs/dbraw/zinc/15/68/62/1020156862.db2.gz GJMDUJUHYHVSQU-UHFFFAOYSA-N -1 3 313.397 3.629 20 0 DHADHM O=c1[n-]c(Oc2ccc(Br)cc2)nc2ccccc21 ZINC000731905446 1020169684 /nfs/dbraw/zinc/16/96/84/1020169684.db2.gz ILXNVKUKTVSBJH-UHFFFAOYSA-N -1 3 317.142 3.890 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667027358 1032883882 /nfs/dbraw/zinc/88/38/82/1032883882.db2.gz KJZDXUJBWFTNDJ-UHFFFAOYSA-N -1 3 321.364 3.919 20 0 DHADHM O=C(OCc1csc(C2CCCCC2)n1)c1cncc([O-])c1 ZINC000732395021 1020235452 /nfs/dbraw/zinc/23/54/52/1020235452.db2.gz ZVTANMZSHXSNKW-UHFFFAOYSA-N -1 3 318.398 3.648 20 0 DHADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(Cl)cn1 ZINC000191558846 1020342886 /nfs/dbraw/zinc/34/28/86/1020342886.db2.gz BEEDLIMCHKIHMO-UHFFFAOYSA-N -1 3 301.148 3.523 20 0 DHADHM CC(C)c1cnc(COC(=O)c2cc(Cl)c(Cl)[n-]2)o1 ZINC000733429782 1020388983 /nfs/dbraw/zinc/38/89/83/1020388983.db2.gz LVQQABXNAWJZBL-UHFFFAOYSA-N -1 3 303.145 3.790 20 0 DHADHM Cc1ccc([C@@H](C)CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000685751042 1020427942 /nfs/dbraw/zinc/42/79/42/1020427942.db2.gz MJSVVFIZDABQDM-LBPRGKRZSA-N -1 3 303.789 3.888 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC000055663372 1020455115 /nfs/dbraw/zinc/45/51/15/1020455115.db2.gz SSAGMLJVWYMIAC-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM Cc1cccc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)sc21 ZINC000347951901 1020464250 /nfs/dbraw/zinc/46/42/50/1020464250.db2.gz JHCFHKNQIUMXGT-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]1c1cccc(F)c1 ZINC000685764998 1020495555 /nfs/dbraw/zinc/49/55/55/1020495555.db2.gz RXEZQHRXXUNLLK-OAHLLOKOSA-N -1 3 305.736 3.772 20 0 DHADHM CC(C)(C)c1ccc(CSc2nc3nncc-3c(O)[n-]2)cc1 ZINC000030587863 1020579698 /nfs/dbraw/zinc/57/96/98/1020579698.db2.gz MAUBSASAARDDFP-UHFFFAOYSA-N -1 3 314.414 3.648 20 0 DHADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000734498679 1020615580 /nfs/dbraw/zinc/61/55/80/1020615580.db2.gz SEBCZNULIJGDAE-VIFPVBQESA-N -1 3 324.273 3.954 20 0 DHADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@@H](CC)c1ccccc1 ZINC000625629941 1020633229 /nfs/dbraw/zinc/63/32/29/1020633229.db2.gz JWKKFBVYPCQFHM-INIZCTEOSA-N -1 3 313.401 3.576 20 0 DHADHM Cc1ccc(Cl)c(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000674015525 1020638028 /nfs/dbraw/zinc/63/80/28/1020638028.db2.gz RIGZPBWCAANYDE-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735006665 1020681998 /nfs/dbraw/zinc/68/19/98/1020681998.db2.gz DBEOHIGSSISBJC-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735006665 1020682002 /nfs/dbraw/zinc/68/20/02/1020682002.db2.gz DBEOHIGSSISBJC-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCO[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000264433525 1032932566 /nfs/dbraw/zinc/93/25/66/1032932566.db2.gz APYHBXLTYUBIRV-INIZCTEOSA-N -1 3 319.445 3.937 20 0 DHADHM CCC[C@H](CC)[S@@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414233889 1021018057 /nfs/dbraw/zinc/01/80/57/1021018057.db2.gz BUUHVKYBFPLGOK-NYHFZMIOSA-N -1 3 318.442 3.677 20 0 DHADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(SC)ccc1[O-] ZINC000613522152 1021060932 /nfs/dbraw/zinc/06/09/32/1021060932.db2.gz VLAKQPVBQORIEH-QMMMGPOBSA-N -1 3 307.337 3.575 20 0 DHADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1C(F)(F)F ZINC000161325815 1021071917 /nfs/dbraw/zinc/07/19/17/1021071917.db2.gz GNPIUBOXFKOXCY-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1C(F)(F)F ZINC000161325815 1021071925 /nfs/dbraw/zinc/07/19/25/1021071925.db2.gz GNPIUBOXFKOXCY-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCCOc1cccc(F)c1 ZINC000742357479 1021105068 /nfs/dbraw/zinc/10/50/68/1021105068.db2.gz FUZWBINEDFEQTK-UHFFFAOYSA-N -1 3 309.381 3.613 20 0 DHADHM CCN(CC)[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128391638 1021238936 /nfs/dbraw/zinc/23/89/36/1021238936.db2.gz FNCFUAHWVKAOSX-QGZVFWFLSA-N -1 3 316.376 3.553 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000743296943 1021255556 /nfs/dbraw/zinc/25/55/56/1021255556.db2.gz RKWKOZADKVQAEU-UYAOXDASSA-N -1 3 307.393 3.529 20 0 DHADHM O=C(Nc1nnc(C2CC2)s1)c1cc([O-])c2ccccc2c1 ZINC000516896246 1021284789 /nfs/dbraw/zinc/28/47/89/1021284789.db2.gz DHXCBQLPOLVMMV-UHFFFAOYSA-N -1 3 311.366 3.527 20 0 DHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1cccc([O-])c1F ZINC000128587118 1021297257 /nfs/dbraw/zinc/29/72/57/1021297257.db2.gz BFDVKAJKHDFIDQ-UHFFFAOYSA-N -1 3 318.735 3.778 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)nc(Cl)c1 ZINC000109091579 1021420921 /nfs/dbraw/zinc/42/09/21/1021420921.db2.gz VMKGUWYKZPHFEG-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM C[C@H](CCc1ccccc1)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000647650162 1021423406 /nfs/dbraw/zinc/42/34/06/1021423406.db2.gz PNCSYFQGQMLFMC-CHWSQXEVSA-N -1 3 318.442 3.761 20 0 DHADHM O=C(/C=C/c1nc2ccccc2s1)Nc1cccc([O-])c1F ZINC000129225463 1021452007 /nfs/dbraw/zinc/45/20/07/1021452007.db2.gz WALMOQJCSFARIA-CMDGGOBGSA-N -1 3 314.341 3.793 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCC(C)(C)C)c2)n1 ZINC000744218495 1021473846 /nfs/dbraw/zinc/47/38/46/1021473846.db2.gz WUZUWSQUCXRSLK-UHFFFAOYSA-N -1 3 314.385 3.889 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccc(F)cc2)on1 ZINC000129388428 1021476588 /nfs/dbraw/zinc/47/65/88/1021476588.db2.gz MPIVQMZTTSCKFV-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM Cc1sc(CC(=O)Nc2cccc([O-])c2F)nc1C(C)C ZINC000556063162 1021509859 /nfs/dbraw/zinc/50/98/59/1021509859.db2.gz NIZKVDHJPZVVCR-UHFFFAOYSA-N -1 3 308.378 3.601 20 0 DHADHM O=C(Nc1cccc2ccsc21)c1cc(F)cc2n[n-]nc21 ZINC000337441582 1032996713 /nfs/dbraw/zinc/99/67/13/1032996713.db2.gz DETBAYHARBABRU-UHFFFAOYSA-N -1 3 312.329 3.564 20 0 DHADHM O=C([O-])[C@H]1CC[C@H](NCc2cc(Cl)sc2Cl)CC1 ZINC000630476070 1021803739 /nfs/dbraw/zinc/80/37/39/1021803739.db2.gz NDBFQIFQEJQLQF-XWEPSHTISA-N -1 3 308.230 3.788 20 0 DHADHM CCc1nc(C)c(C(=O)[N-]c2c(OC)cccc2SC)o1 ZINC000416119212 1022137872 /nfs/dbraw/zinc/13/78/72/1022137872.db2.gz DSKOJZXOSZBIAG-UHFFFAOYSA-N -1 3 306.387 3.528 20 0 DHADHM CCCCC[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000620566048 1022179262 /nfs/dbraw/zinc/17/92/62/1022179262.db2.gz DAIJRPLRYXAYDV-AWEZNQCLSA-N -1 3 317.433 3.635 20 0 DHADHM O=C([N-]Cc1ccccc1Cl)C(F)(F)c1ccc(F)cc1 ZINC000920841177 1022182456 /nfs/dbraw/zinc/18/24/56/1022182456.db2.gz IVJSJDDIDVWLOR-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000804296490 1022184473 /nfs/dbraw/zinc/18/44/73/1022184473.db2.gz GOXOQDYSCFFURX-SUMWQHHRSA-N -1 3 309.365 3.809 20 0 DHADHM CC1CC(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001167736129 1022293246 /nfs/dbraw/zinc/29/32/46/1022293246.db2.gz WSWBSDIGGHYPBM-UHFFFAOYSA-N -1 3 309.409 3.759 20 0 DHADHM O=C(NCc1cccc(F)c1F)c1cc([O-])c2ccccc2c1 ZINC001169260665 1022330431 /nfs/dbraw/zinc/33/04/31/1022330431.db2.gz LZBZIOLPHRIWBG-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(Cc2ccncc2)n1 ZINC001212587929 1022339537 /nfs/dbraw/zinc/33/95/37/1022339537.db2.gz APHGDYKNJBTEAV-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C3CC3)cc2)o1 ZINC000416666222 1022411065 /nfs/dbraw/zinc/41/10/65/1022411065.db2.gz ORWVCYKJKBWJSS-GFCCVEGCSA-N -1 3 305.399 3.505 20 0 DHADHM [O-]c1cc(Nc2ccc(N3CCC(O)CC3)cc2)ccc1Cl ZINC001212592586 1022491087 /nfs/dbraw/zinc/49/10/87/1022491087.db2.gz XIHUQQPTRBYJIK-UHFFFAOYSA-N -1 3 318.804 3.750 20 0 DHADHM [O-]c1cccnc1CNc1ccc(OC(F)(F)C(F)F)cc1 ZINC001169732437 1022525475 /nfs/dbraw/zinc/52/54/75/1022525475.db2.gz XFVGATAMSYKCPX-UHFFFAOYSA-N -1 3 316.254 3.636 20 0 DHADHM [O-]c1cccnc1CNc1ncnc(Cl)c1-c1ccccc1 ZINC001169733163 1022529171 /nfs/dbraw/zinc/52/91/71/1022529171.db2.gz PEBJBWSUXSJFFA-UHFFFAOYSA-N -1 3 312.760 3.510 20 0 DHADHM O=c1cc(CNc2c(F)cc(Cl)cc2F)nc(C2CC2)[n-]1 ZINC000417016952 1022562040 /nfs/dbraw/zinc/56/20/40/1022562040.db2.gz BAYKMVSKDUPRLC-UHFFFAOYSA-N -1 3 311.719 3.603 20 0 DHADHM CC12CC(C1)CN2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000621215741 1022635260 /nfs/dbraw/zinc/63/52/60/1022635260.db2.gz QNEWKNZNPBVDNN-UHFFFAOYSA-N -1 3 307.393 3.608 20 0 DHADHM CC[C@@H](C)[C@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000780390893 1022728798 /nfs/dbraw/zinc/72/87/98/1022728798.db2.gz JVDIVLJTXGIKBK-YPMHNXCESA-N -1 3 314.385 3.745 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000584806577 1022760668 /nfs/dbraw/zinc/76/06/68/1022760668.db2.gz NJCJZDLPCUETQG-OAHLLOKOSA-N -1 3 309.369 3.656 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(C2CC2)cc1)c1ccsc1 ZINC000417533448 1022771799 /nfs/dbraw/zinc/77/17/99/1022771799.db2.gz MRNNSJPXHKBPGR-INIZCTEOSA-N -1 3 301.411 3.931 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc(C)c2F)C(=O)[O-])c1C ZINC000417563079 1022790768 /nfs/dbraw/zinc/79/07/68/1022790768.db2.gz NCYQWJODERVABX-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000184241808 1022791369 /nfs/dbraw/zinc/79/13/69/1022791369.db2.gz JIYDBVKFWKOOBD-BQYQJAHWSA-N -1 3 323.801 3.767 20 0 DHADHM CCCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000742221114 1022807682 /nfs/dbraw/zinc/80/76/82/1022807682.db2.gz YVLZXNZNZZOJSA-SOFGYWHQSA-N -1 3 300.358 3.540 20 0 DHADHM CC(=O)[N-]O[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000180806171 1022837593 /nfs/dbraw/zinc/83/75/93/1022837593.db2.gz NQVAFSBPJHAFRB-SSDOTTSWSA-N -1 3 315.156 3.777 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000617092299 1022859287 /nfs/dbraw/zinc/85/92/87/1022859287.db2.gz OICLUGIZTBQWJR-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000621909583 1022930111 /nfs/dbraw/zinc/93/01/11/1022930111.db2.gz IMNQVJHNSKZMEX-UHFFFAOYSA-N -1 3 301.308 3.816 20 0 DHADHM CC(C)N(CC(F)F)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621921930 1022943626 /nfs/dbraw/zinc/94/36/26/1022943626.db2.gz GGMIRCDOWVNRNP-UHFFFAOYSA-N -1 3 311.250 3.527 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC2(CCCC2)C1 ZINC000857139565 1022955632 /nfs/dbraw/zinc/95/56/32/1022955632.db2.gz LHGMTAKQCDIEJN-UHFFFAOYSA-N -1 3 313.319 3.817 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000769753844 1023202461 /nfs/dbraw/zinc/20/24/61/1023202461.db2.gz DIULEWSLVSMKQQ-LBPRGKRZSA-N -1 3 318.804 3.575 20 0 DHADHM CCCCCCN(C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000771212294 1023411088 /nfs/dbraw/zinc/41/10/88/1023411088.db2.gz RWYVRJMMRZYMTO-UHFFFAOYSA-N -1 3 307.369 3.593 20 0 DHADHM O=C(OCc1cc(-c2cccs2)on1)c1cc2occc2[n-]1 ZINC000786029508 1023648569 /nfs/dbraw/zinc/64/85/69/1023648569.db2.gz NYZBTIGRXQIYSR-UHFFFAOYSA-N -1 3 314.322 3.834 20 0 DHADHM O=C(OCc1cc(-c2ccccc2)no1)c1cc2occc2[n-]1 ZINC000786030294 1023652612 /nfs/dbraw/zinc/65/26/12/1023652612.db2.gz XDABSKVRSQUBJZ-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM CC(C)[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccccc1 ZINC000786032994 1023654001 /nfs/dbraw/zinc/65/40/01/1023654001.db2.gz HEHOCIYASVSOIS-KRWDZBQOSA-N -1 3 311.337 3.825 20 0 DHADHM CC(C)(C)OCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786139128 1023663197 /nfs/dbraw/zinc/66/31/97/1023663197.db2.gz YKSDZISWXBELFU-UHFFFAOYSA-N -1 3 308.399 3.969 20 0 DHADHM C[C@H]1C[C@H](COC(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC000786138424 1023666406 /nfs/dbraw/zinc/66/64/06/1023666406.db2.gz SLPJHTZALHALNO-WDEREUQCSA-N -1 3 306.383 3.579 20 0 DHADHM CCCC(C)(C)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000787081902 1023755332 /nfs/dbraw/zinc/75/53/32/1023755332.db2.gz DEPSRSONTQZDQZ-UHFFFAOYSA-N -1 3 318.373 3.702 20 0 DHADHM Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000538742029 1033160125 /nfs/dbraw/zinc/16/01/25/1033160125.db2.gz IYZDQZPAHPTQKA-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM CCc1ccc(C(=O)N[C@@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000787252037 1023775814 /nfs/dbraw/zinc/77/58/14/1023775814.db2.gz QXSIARJQRFHKDI-CQSZACIVSA-N -1 3 316.426 3.527 20 0 DHADHM COc1cc(-c2nc3cc(C)ccc3n2C)cc(Cl)c1[O-] ZINC000048879928 1023820309 /nfs/dbraw/zinc/82/03/09/1023820309.db2.gz IWKYOYOXQIELKW-UHFFFAOYSA-N -1 3 302.761 3.916 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)C1CCCCC1 ZINC000787831133 1023825624 /nfs/dbraw/zinc/82/56/24/1023825624.db2.gz RHQXDGWITCRCON-UHFFFAOYSA-N -1 3 322.376 3.547 20 0 DHADHM CCC[C@@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652396798 1023842106 /nfs/dbraw/zinc/84/21/06/1023842106.db2.gz WMXWRGZWBOPJJP-SNVBAGLBSA-N -1 3 314.223 3.768 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1oc2ccccc2c1C ZINC000788111050 1023856942 /nfs/dbraw/zinc/85/69/42/1023856942.db2.gz LHOBRJTZHDVWRA-UHFFFAOYSA-N -1 3 322.267 3.891 20 0 DHADHM O=C(Nc1ccc2ccccc2c1)c1cc(F)cc2n[n-]nc21 ZINC000788260394 1023866296 /nfs/dbraw/zinc/86/62/96/1023866296.db2.gz ACFARQHHMMRSIK-UHFFFAOYSA-N -1 3 306.300 3.503 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000652439454 1023867900 /nfs/dbraw/zinc/86/79/00/1023867900.db2.gz MHJFXNLTXGHKMR-DOOKAGJSSA-N -1 3 311.381 3.964 20 0 DHADHM CCCCc1cc(NC(=O)c2cc3sccc3c([O-])c2)n[nH]1 ZINC000788294368 1023868404 /nfs/dbraw/zinc/86/84/04/1023868404.db2.gz WJXGFTRODZCAJD-UHFFFAOYSA-N -1 3 315.398 3.925 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC000788297958 1023868612 /nfs/dbraw/zinc/86/86/12/1023868612.db2.gz FVHVBNZILFCUEO-UWVGGRQHSA-N -1 3 307.440 3.573 20 0 DHADHM CC1(C)C[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C(C)(C)O1 ZINC000788309486 1023872669 /nfs/dbraw/zinc/87/26/69/1023872669.db2.gz PIYUBMGTEJOHQM-CQSZACIVSA-N -1 3 319.426 3.683 20 0 DHADHM O=C([O-])C[C@H]1CCCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000652463523 1023876520 /nfs/dbraw/zinc/87/65/20/1023876520.db2.gz JNOCDNNIMULBAL-CQSZACIVSA-N -1 3 316.228 3.865 20 0 DHADHM COc1ccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000652554402 1023919033 /nfs/dbraw/zinc/91/90/33/1023919033.db2.gz RMZJSHYCECTDKM-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM C[C@H](CCOC(=O)c1ccc([O-])cc1)OCc1ccccc1 ZINC000789002675 1023963772 /nfs/dbraw/zinc/96/37/72/1023963772.db2.gz XQORJGBIGQMRQV-CQSZACIVSA-N -1 3 300.354 3.544 20 0 DHADHM CC1(C)CCCC[C@@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222411 1023998141 /nfs/dbraw/zinc/99/81/41/1023998141.db2.gz GTWSAGGCJQFFGZ-WBVHZDCISA-N -1 3 301.430 3.887 20 0 DHADHM C[C@H](OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057550140 1024062028 /nfs/dbraw/zinc/06/20/28/1024062028.db2.gz GRGGHNCACCUGHS-NSHDSACASA-N -1 3 305.761 3.589 20 0 DHADHM CC[C@]1(C)C[C@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452743554 1024177297 /nfs/dbraw/zinc/17/72/97/1024177297.db2.gz AUMIZAGFDVUXMH-LKFCYVNXSA-N -1 3 312.207 3.838 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000531522700 1024193059 /nfs/dbraw/zinc/19/30/59/1024193059.db2.gz KRTFHWUMRKRRRX-FQEVSTJZSA-N -1 3 309.409 3.758 20 0 DHADHM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000538842821 1033206426 /nfs/dbraw/zinc/20/64/26/1033206426.db2.gz SJGZBWNMEAQTGR-UHFFFAOYSA-N -1 3 315.410 3.545 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000585729282 1024573991 /nfs/dbraw/zinc/57/39/91/1024573991.db2.gz BFABCMGRMURIRH-UHFFFAOYSA-N -1 3 314.291 3.718 20 0 DHADHM CCN(CCC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792115830 1024627897 /nfs/dbraw/zinc/62/78/97/1024627897.db2.gz UBPWVLMFGZJMCL-UHFFFAOYSA-N -1 3 311.303 3.960 20 0 DHADHM O=C(CCc1cnc2ccccc2c1)[N-]OCc1ccc(F)cc1 ZINC000792324631 1024664216 /nfs/dbraw/zinc/66/42/16/1024664216.db2.gz UXWTXNCOQBEWEQ-UHFFFAOYSA-N -1 3 324.355 3.555 20 0 DHADHM [O-]c1ccccc1-c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000324840238 1024725073 /nfs/dbraw/zinc/72/50/73/1024725073.db2.gz WRODTVUPDWLBNY-UHFFFAOYSA-N -1 3 322.364 3.539 20 0 DHADHM Cc1ccccc1-c1ccccc1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000859810323 1033236445 /nfs/dbraw/zinc/23/64/45/1033236445.db2.gz LHMNPOQAYITZFB-LJQANCHMSA-N -1 3 313.372 3.661 20 0 DHADHM Cc1cccc(NC(=O)[N-]c2cc(-c3ccccn3)no2)c1C ZINC001202695228 1024881063 /nfs/dbraw/zinc/88/10/63/1024881063.db2.gz NQDRNAZXFHBQAA-UHFFFAOYSA-N -1 3 308.341 3.997 20 0 DHADHM COc1ccc(NC(=O)[N-]c2cc(-c3ccccn3)no2)c(C)c1 ZINC001202713387 1024982607 /nfs/dbraw/zinc/98/26/07/1024982607.db2.gz IUVMSFJVESXIDX-UHFFFAOYSA-N -1 3 324.340 3.698 20 0 DHADHM CO[C@@H]1CCOc2c(NCc3c(F)ccc([O-])c3F)cccc21 ZINC000353251236 1025002119 /nfs/dbraw/zinc/00/21/19/1025002119.db2.gz FLEKOZFQUWMPFV-OAHLLOKOSA-N -1 3 321.323 3.753 20 0 DHADHM [O-]c1cccc(CN2CCC(F)(c3cccnc3)CC2)c1Cl ZINC000353369865 1025045345 /nfs/dbraw/zinc/04/53/45/1025045345.db2.gz BCAIXJYJUNLYDP-UHFFFAOYSA-N -1 3 320.795 3.901 20 0 DHADHM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000885233284 1025290608 /nfs/dbraw/zinc/29/06/08/1025290608.db2.gz AOGUFZOSPNTIQE-AWEZNQCLSA-N -1 3 311.381 3.506 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1F ZINC000614826464 1025300309 /nfs/dbraw/zinc/30/03/09/1025300309.db2.gz LMROSVLZUDWVQU-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM COc1cc2c(cc1Cl)CN(Cc1cc([O-])cc(F)c1)CC2 ZINC000354617688 1025467280 /nfs/dbraw/zinc/46/72/80/1025467280.db2.gz FUSOIIURKORDDT-UHFFFAOYSA-N -1 3 321.779 3.752 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@H]3C[C@@H]3c3ccccc3)n[n-]2)o1 ZINC000354906572 1025544553 /nfs/dbraw/zinc/54/45/53/1025544553.db2.gz DOAVQKYIZBDQLG-ZIAGYGMSSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C(C)C)oc3C)n[n-]2)o1 ZINC000354914305 1025548459 /nfs/dbraw/zinc/54/84/59/1025548459.db2.gz WIIXNZUCOPVYPP-UHFFFAOYSA-N -1 3 314.345 3.650 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)n1 ZINC000354987886 1025567425 /nfs/dbraw/zinc/56/74/25/1025567425.db2.gz JXSUOKARCQTRBG-UHFFFAOYSA-N -1 3 324.302 3.929 20 0 DHADHM CCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1C ZINC000354989981 1025569096 /nfs/dbraw/zinc/56/90/96/1025569096.db2.gz MHPHSZWUOGFNBL-UHFFFAOYSA-N -1 3 306.365 3.651 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1nccn1-c1ccccc1 ZINC000805541326 1025614847 /nfs/dbraw/zinc/61/48/47/1025614847.db2.gz CLPVIYWKIGWLQT-LBPRGKRZSA-N -1 3 321.336 3.865 20 0 DHADHM CSc1ccc(OCCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000805541413 1025615545 /nfs/dbraw/zinc/61/55/45/1025615545.db2.gz GGIWCPAHIZGWGC-UHFFFAOYSA-N -1 3 317.366 3.719 20 0 DHADHM Cc1ccc(-c2nc(CNCc3ncccc3[O-])cs2)cc1 ZINC000355294411 1025669966 /nfs/dbraw/zinc/66/99/66/1025669966.db2.gz TWXHCFWLIOHAOW-UHFFFAOYSA-N -1 3 311.410 3.509 20 0 DHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC000048268739 1025675330 /nfs/dbraw/zinc/67/53/30/1025675330.db2.gz BYODELPONKDLJA-VIFPVBQESA-N -1 3 308.790 3.560 20 0 DHADHM CCOCc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000614111265 1025723721 /nfs/dbraw/zinc/72/37/21/1025723721.db2.gz IVSVDHXBKGNBHI-UHFFFAOYSA-N -1 3 314.772 3.780 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(Cl)c[nH]1 ZINC000134195786 1025801843 /nfs/dbraw/zinc/80/18/43/1025801843.db2.gz WODIETHICVAFDM-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c([O-])c1 ZINC000248057081 1025927778 /nfs/dbraw/zinc/92/77/78/1025927778.db2.gz OYVYDFBYRGSIIJ-UHFFFAOYSA-N -1 3 324.424 3.573 20 0 DHADHM CN1CCc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc2C1 ZINC001211969746 1025933209 /nfs/dbraw/zinc/93/32/09/1025933209.db2.gz YKJBKNKDGJJRHZ-UHFFFAOYSA-N -1 3 316.788 3.770 20 0 DHADHM Cc1nc2cc(NCc3cccc([O-])c3Cl)ccc2n1C ZINC000645166806 1026042027 /nfs/dbraw/zinc/04/20/27/1026042027.db2.gz YHVOJDBJLYPQAP-UHFFFAOYSA-N -1 3 301.777 3.853 20 0 DHADHM Cc1oc([N-]C(=O)c2nc(Cl)sc2Cl)nc1C1CC1 ZINC000887241467 1026140956 /nfs/dbraw/zinc/14/09/56/1026140956.db2.gz SEMKEBHPPRZIHE-UHFFFAOYSA-N -1 3 318.185 3.876 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001211981023 1026193177 /nfs/dbraw/zinc/19/31/77/1026193177.db2.gz LFBKKWHMZHQFHT-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CSc1nc2ccccc2c(C)c1[N-]C(=O)c1cncs1 ZINC001131156056 1026215005 /nfs/dbraw/zinc/21/50/05/1026215005.db2.gz XTWFHDIXZHBRHY-UHFFFAOYSA-N -1 3 315.423 3.974 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=C(C)c2cccc(F)c2)c1[O-] ZINC000808188146 1026221619 /nfs/dbraw/zinc/22/16/19/1026221619.db2.gz QMRPQXMIRJQXEV-LUAWRHEFSA-N -1 3 313.328 3.776 20 0 DHADHM CCOC(=O)c1cccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000357069216 1026301395 /nfs/dbraw/zinc/30/13/95/1026301395.db2.gz LZGQXIXATRFLNB-LLVKDONJSA-N -1 3 318.398 3.521 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3F)no2)c1 ZINC000729273189 1026404350 /nfs/dbraw/zinc/40/43/50/1026404350.db2.gz SJMOOZPQPPNELG-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1cccc2cc(C(=O)[N-]N3Cc4ccccc4C3=O)sc21 ZINC000809755334 1026616570 /nfs/dbraw/zinc/61/65/70/1026616570.db2.gz LZKRTGYXHKLNDY-UHFFFAOYSA-N -1 3 322.389 3.511 20 0 DHADHM Cc1coc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c1 ZINC001132004975 1026654501 /nfs/dbraw/zinc/65/45/01/1026654501.db2.gz CRVJKKXMFFKNHY-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM O=C(CCCc1ccccc1Cl)[N-]OCc1ccccc1 ZINC000809997326 1026658440 /nfs/dbraw/zinc/65/84/40/1026658440.db2.gz VJFZKGXFVOYVDX-UHFFFAOYSA-N -1 3 303.789 3.911 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H](C)CC)nc2)n1 ZINC000664230707 1026705499 /nfs/dbraw/zinc/70/54/99/1026705499.db2.gz QJYUEMXIYLBEMS-LBPRGKRZSA-N -1 3 300.406 3.655 20 0 DHADHM CO[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000419502747 1026729087 /nfs/dbraw/zinc/72/90/87/1026729087.db2.gz ZUVJKKXNRWSGMC-HNNXBMFYSA-N -1 3 316.426 3.681 20 0 DHADHM COC1CCC(OC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810626154 1026802996 /nfs/dbraw/zinc/80/29/96/1026802996.db2.gz VQZZGFJOCZZZBI-UHFFFAOYSA-N -1 3 313.806 3.997 20 0 DHADHM C[C@H]1C[C@@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810659478 1026830323 /nfs/dbraw/zinc/83/03/23/1026830323.db2.gz TYZDUFKGQBFHNS-IUCAKERBSA-N -1 3 313.806 3.855 20 0 DHADHM O=C(OCCCCCCO)c1cc2cc(Cl)sc2[n-]1 ZINC000811394046 1026992426 /nfs/dbraw/zinc/99/24/26/1026992426.db2.gz JDDKNUDSODMLCX-UHFFFAOYSA-N -1 3 301.795 3.592 20 0 DHADHM CCO[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])C1=CCCC1 ZINC000072701090 1027010443 /nfs/dbraw/zinc/01/04/43/1027010443.db2.gz YESUXFLRPQERFV-OAHLLOKOSA-N -1 3 309.793 3.890 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000362252601 1027116026 /nfs/dbraw/zinc/11/60/26/1027116026.db2.gz QMEVOTAOYPBHCI-CMPLNLGQSA-N -1 3 310.357 3.593 20 0 DHADHM O=C(CCC1CCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362264743 1027121892 /nfs/dbraw/zinc/12/18/92/1027121892.db2.gz ZFJMMDDBTMYNAR-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM O=C(C[C@@H]1C=CCCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362264686 1027122180 /nfs/dbraw/zinc/12/21/80/1027122180.db2.gz YLFIYWVITSEVSW-GFCCVEGCSA-N -1 3 322.368 3.903 20 0 DHADHM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000571358400 1027122284 /nfs/dbraw/zinc/12/22/84/1027122284.db2.gz UPWJVAXYFZNKQQ-PLNGDYQASA-N -1 3 316.426 3.587 20 0 DHADHM [O-]c1cccnc1CNc1cc(Cl)nc2ccc(F)cc21 ZINC001158770703 1027131178 /nfs/dbraw/zinc/13/11/78/1027131178.db2.gz HWWKGXCHCVFNPK-UHFFFAOYSA-N -1 3 303.724 3.740 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2nccc3ccsc32)n1 ZINC001133192600 1027205004 /nfs/dbraw/zinc/20/50/04/1027205004.db2.gz KQJJCFZATFCQIY-UHFFFAOYSA-N -1 3 304.400 3.524 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c([O-])c1 ZINC000031367888 1027233758 /nfs/dbraw/zinc/23/37/58/1027233758.db2.gz MHDJWYALRNPRTK-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM CC[C@H](C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000295402852 1027257005 /nfs/dbraw/zinc/25/70/05/1027257005.db2.gz QVOFEHMHXPYPRX-WRWORJQWSA-N -1 3 309.715 3.752 20 0 DHADHM O=C(CC1(CSc2ccccc2)CC1)[N-]OC/C=C/Cl ZINC000812403585 1027262187 /nfs/dbraw/zinc/26/21/87/1027262187.db2.gz PZFZWPVGURNGIY-RUDMXATFSA-N -1 3 311.834 3.749 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)c1ccccc1C(F)(F)F ZINC000812409583 1027271122 /nfs/dbraw/zinc/27/11/22/1027271122.db2.gz SXZHROKVJVHBDT-ISGFRBBESA-N -1 3 321.726 3.999 20 0 DHADHM Cc1cccc(CCCSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000778051391 1027337627 /nfs/dbraw/zinc/33/76/27/1027337627.db2.gz BNHLHKAYDKYJGS-UHFFFAOYSA-N -1 3 319.392 3.729 20 0 DHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)oc1C ZINC000562320918 1027363771 /nfs/dbraw/zinc/36/37/71/1027363771.db2.gz ZWLFQNASMYRBNZ-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(c3cccc(C)c3)CC2)c1[O-] ZINC000575145378 1027457415 /nfs/dbraw/zinc/45/74/15/1027457415.db2.gz UJBHOVGUSTYNKZ-UHFFFAOYSA-N -1 3 309.365 3.574 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1(CCF)CC1 ZINC000295957629 1027501141 /nfs/dbraw/zinc/50/11/41/1027501141.db2.gz HDRVKYVEWNZZCW-UHFFFAOYSA-N -1 3 316.170 3.541 20 0 DHADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000562800060 1027605898 /nfs/dbraw/zinc/60/58/98/1027605898.db2.gz KJYLBIZGVIHZLH-ZIAGYGMSSA-N -1 3 308.447 3.534 20 0 DHADHM CCc1cccc(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)c1[O-] ZINC001297105211 1027616287 /nfs/dbraw/zinc/61/62/87/1027616287.db2.gz PXLPWIIYHCLXMU-RNCFNFMXSA-N -1 3 303.324 3.661 20 0 DHADHM Cc1cccc2c1ncc(C)c2N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000576706972 1027651082 /nfs/dbraw/zinc/65/10/82/1027651082.db2.gz GTWVSHSGFFVQFF-OAHLLOKOSA-N -1 3 310.397 3.543 20 0 DHADHM CN(CCCOc1ccc(Cl)cc1)Cc1ccoc1C(=O)[O-] ZINC000577404742 1027762932 /nfs/dbraw/zinc/76/29/32/1027762932.db2.gz QCTAGHTZUJEHSO-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000296947413 1027765210 /nfs/dbraw/zinc/76/52/10/1027765210.db2.gz OPIOVCMNGFVAFG-QWRGUYRKSA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000116308448 1027813253 /nfs/dbraw/zinc/81/32/53/1027813253.db2.gz NFMUTBUMTCBQRV-GFCCVEGCSA-N -1 3 319.474 3.633 20 0 DHADHM CCCc1ccccc1-c1ccc(S([O-])=CC(=O)OC)cc1 ZINC000600794867 1027837693 /nfs/dbraw/zinc/83/76/93/1027837693.db2.gz XRJDEPWVGGENPQ-QFIPXVFZSA-N -1 3 316.422 3.587 20 0 DHADHM COc1cnc([C@@H]2CCCN2CC[C@H]2CCC[C@@H](C)C2)[n-]c1=O ZINC000934272211 1027946881 /nfs/dbraw/zinc/94/68/81/1027946881.db2.gz FSOQJLRFNNRGMT-KFWWJZLASA-N -1 3 319.449 3.544 20 0 DHADHM Cc1ccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)o1 ZINC000578199320 1028088510 /nfs/dbraw/zinc/08/85/10/1028088510.db2.gz BNHDJVNJXQKKJL-UHFFFAOYSA-N -1 3 322.430 3.644 20 0 DHADHM CSc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000366788068 1028111726 /nfs/dbraw/zinc/11/17/26/1028111726.db2.gz GVKSNPOUNTZBLO-UKRRQHHQSA-N -1 3 323.483 3.614 20 0 DHADHM CC[C@@]1(C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000563632509 1028133529 /nfs/dbraw/zinc/13/35/29/1028133529.db2.gz WNNDUPKHZJTNFI-INIZCTEOSA-N -1 3 311.809 3.539 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](F)C1 ZINC000563631444 1028134787 /nfs/dbraw/zinc/13/47/87/1028134787.db2.gz RYLAFBDQOZIRSA-INIZCTEOSA-N -1 3 313.372 3.557 20 0 DHADHM CC(C)(C)Cc1ncc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000935134810 1028205607 /nfs/dbraw/zinc/20/56/07/1028205607.db2.gz LUTCSTKRUZYBKO-UHFFFAOYSA-N -1 3 308.378 3.829 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)cc2C)c1[O-] ZINC000578712004 1028223248 /nfs/dbraw/zinc/22/32/48/1028223248.db2.gz XWPAYVHCEQVEKA-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1oc([C@@H](C)N2CC[C@H](Oc3ccccc3)C2)cc1C(=O)[O-] ZINC000578900241 1028267332 /nfs/dbraw/zinc/26/73/32/1028267332.db2.gz PEDVOCZGCCZIGT-DOMZBBRYSA-N -1 3 315.369 3.501 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2C)c1[O-] ZINC000579163440 1028336250 /nfs/dbraw/zinc/33/62/50/1028336250.db2.gz LLHFLCGPDGBNKO-UHFFFAOYSA-N -1 3 311.381 3.820 20 0 DHADHM Cc1ccc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)s1 ZINC000049183486 1028400110 /nfs/dbraw/zinc/40/01/10/1028400110.db2.gz HQYYHPFYNRAQBF-VIFPVBQESA-N -1 3 305.428 3.618 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2ncccc2Cl)no1 ZINC000368782028 1028407582 /nfs/dbraw/zinc/40/75/82/1028407582.db2.gz NHTRUUCJHXUQCZ-UHFFFAOYSA-N -1 3 319.773 3.783 20 0 DHADHM O=C(Nc1cccc(SC(F)F)c1)c1cccc2n[n-]nc21 ZINC000187712443 1028471885 /nfs/dbraw/zinc/47/18/85/1028471885.db2.gz REEXMUFWKCTOBE-UHFFFAOYSA-N -1 3 320.324 3.525 20 0 DHADHM C[C@]1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C[C@H]2C[C@H]2C1 ZINC000815849988 1028639663 /nfs/dbraw/zinc/63/96/63/1028639663.db2.gz UKIWOZDPHIKKRX-JYAVWHMHSA-N -1 3 313.319 3.689 20 0 DHADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626914863 1028689695 /nfs/dbraw/zinc/68/96/95/1028689695.db2.gz IFMRPAYYXUENQH-IBGZPJMESA-N -1 3 313.372 3.720 20 0 DHADHM CC(C)c1cc([N-]C(=O)c2c(F)ccc(F)c2Cl)no1 ZINC001135365134 1028733754 /nfs/dbraw/zinc/73/37/54/1028733754.db2.gz XJKSIVQCZRIVHR-UHFFFAOYSA-N -1 3 300.692 3.982 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627307172 1028751177 /nfs/dbraw/zinc/75/11/77/1028751177.db2.gz ALZDNZQXGPLKKW-INIZCTEOSA-N -1 3 313.397 3.933 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000627329054 1028754225 /nfs/dbraw/zinc/75/42/25/1028754225.db2.gz YFXJRYYIASPTGR-TXEJJXNPSA-N -1 3 315.335 3.894 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000566919853 1028801694 /nfs/dbraw/zinc/80/16/94/1028801694.db2.gz ZTIUZBNZMUTHCZ-WDEREUQCSA-N -1 3 310.191 3.529 20 0 DHADHM CO[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000816349553 1028820681 /nfs/dbraw/zinc/82/06/81/1028820681.db2.gz TZOKOGGWKBCTIE-JTQLQIEISA-N -1 3 301.795 3.711 20 0 DHADHM CCN(Cc1c(F)ccc([O-])c1F)C[C@H](O)c1ccc(C)cc1 ZINC000816515157 1028918598 /nfs/dbraw/zinc/91/85/98/1028918598.db2.gz QYWWIRKDYFFLMX-KRWDZBQOSA-N -1 3 321.367 3.534 20 0 DHADHM [O-]c1ccc(F)c(CNCc2c(F)c(F)cc(F)c2F)c1F ZINC000816555707 1028940985 /nfs/dbraw/zinc/94/09/85/1028940985.db2.gz NUTMJHXKKRQMOX-UHFFFAOYSA-N -1 3 321.220 3.517 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC4CCC3CC4)nc2)n1 ZINC000567825741 1028959815 /nfs/dbraw/zinc/95/98/15/1028959815.db2.gz CCHSEJMHZMHCCK-SEEARECTSA-N -1 3 324.428 3.797 20 0 DHADHM CC1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000568060584 1029000860 /nfs/dbraw/zinc/00/08/60/1029000860.db2.gz HOKSEPJPWXAUDV-CYBMUJFWSA-N -1 3 302.201 3.851 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1[O-] ZINC001135763666 1029041378 /nfs/dbraw/zinc/04/13/78/1029041378.db2.gz ZDYXHTJERLWGSG-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274658 1029063397 /nfs/dbraw/zinc/06/33/97/1029063397.db2.gz UFRYTTWHLUNCMN-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1c(NC(=O)Cc2ccc([O-])c(F)c2)sc2c1CCCC2 ZINC000449939587 1029095059 /nfs/dbraw/zinc/09/50/59/1029095059.db2.gz NWXZHXIBIYHMLX-UHFFFAOYSA-N -1 3 319.401 3.961 20 0 DHADHM CCc1ccc(C(=O)N2CCSC23CCCCC3)c([O-])c1 ZINC000568813895 1029129404 /nfs/dbraw/zinc/12/94/04/1029129404.db2.gz IVBLKPCLPTXJDC-UHFFFAOYSA-N -1 3 305.443 3.804 20 0 DHADHM COc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1[O-] ZINC000043078879 1029140609 /nfs/dbraw/zinc/14/06/09/1029140609.db2.gz YOWCIYVPNPBZHF-IZZDOVSWSA-N -1 3 301.729 3.547 20 0 DHADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)[N-]OCC1CC1 ZINC000817362318 1029142174 /nfs/dbraw/zinc/14/21/74/1029142174.db2.gz KQAMQLNHTLSNBC-LJQANCHMSA-N -1 3 309.409 3.861 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OCCC1CC1 ZINC000817393381 1029145936 /nfs/dbraw/zinc/14/59/36/1029145936.db2.gz PILXYIUBMYHUNT-UHFFFAOYSA-N -1 3 311.381 3.651 20 0 DHADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000190794064 1029151236 /nfs/dbraw/zinc/15/12/36/1029151236.db2.gz AKNKPKCAOVFIOD-VIFPVBQESA-N -1 3 324.739 3.944 20 0 DHADHM CCOc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001135999450 1029250699 /nfs/dbraw/zinc/25/06/99/1029250699.db2.gz MAAUMAAWSRUBRS-UHFFFAOYSA-N -1 3 311.381 3.922 20 0 DHADHM CC[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000817957966 1029298803 /nfs/dbraw/zinc/29/88/03/1029298803.db2.gz GVNJDHPRWWDRHN-PBHICJAKSA-N -1 3 324.424 3.630 20 0 DHADHM Cc1cc([C@H](C)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)oc1C(=O)[O-] ZINC000629364081 1029310855 /nfs/dbraw/zinc/31/08/55/1029310855.db2.gz IXXHHVABBPOJDO-AXFHLTTASA-N -1 3 301.333 3.570 20 0 DHADHM Cc1c(Cl)cc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000155904903 1029331900 /nfs/dbraw/zinc/33/19/00/1029331900.db2.gz MSVJGLDZQPAOFO-LBPRGKRZSA-N -1 3 319.188 3.882 20 0 DHADHM Cc1c(Cl)cc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000155904903 1029331919 /nfs/dbraw/zinc/33/19/19/1029331919.db2.gz MSVJGLDZQPAOFO-LBPRGKRZSA-N -1 3 319.188 3.882 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2ccc(C(C)=O)c([O-])c2)s1 ZINC000412254186 1029378804 /nfs/dbraw/zinc/37/88/04/1029378804.db2.gz DQCZXTGAHZYCGT-UHFFFAOYSA-N -1 3 318.398 3.565 20 0 DHADHM CC(C)c1cccc(CNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000450730123 1029627184 /nfs/dbraw/zinc/62/71/84/1029627184.db2.gz RYPACMOSABTABI-UHFFFAOYSA-N -1 3 301.361 3.514 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC001136334385 1029717239 /nfs/dbraw/zinc/71/72/39/1029717239.db2.gz QOGNXIASHJPQBK-UHFFFAOYSA-N -1 3 318.804 3.926 20 0 DHADHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cccc(C(F)F)c1 ZINC000391291917 1029756882 /nfs/dbraw/zinc/75/68/82/1029756882.db2.gz NNLSRMNVBKEOJQ-MRXNPFEDSA-N -1 3 317.335 3.636 20 0 DHADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001136484787 1029866033 /nfs/dbraw/zinc/86/60/33/1029866033.db2.gz LKFUOJOHGJCDQG-LLVKDONJSA-N -1 3 312.394 3.835 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000794853448 1029937259 /nfs/dbraw/zinc/93/72/59/1029937259.db2.gz QVQAOBRBFZIRAS-NSHDSACASA-N -1 3 317.385 3.580 20 0 DHADHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000530658053 1029959995 /nfs/dbraw/zinc/95/99/95/1029959995.db2.gz NMEBWDGAAYCQHA-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM O=c1[n-]c(CSCc2ccco2)nc2c3ccccc3oc21 ZINC000122140456 1029990697 /nfs/dbraw/zinc/99/06/97/1029990697.db2.gz YLBYDISSSWFAAA-UHFFFAOYSA-N -1 3 312.350 3.696 20 0 DHADHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159526 1030162001 /nfs/dbraw/zinc/16/20/01/1030162001.db2.gz HESKLMYPKPIOHW-LLVKDONJSA-N -1 3 305.761 3.760 20 0 DHADHM CCc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000533218537 1030200229 /nfs/dbraw/zinc/20/02/29/1030200229.db2.gz NRMLDODPJDLIIM-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000533405682 1030332111 /nfs/dbraw/zinc/33/21/11/1030332111.db2.gz NZQYWFHQLOYKHO-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001136784794 1030410170 /nfs/dbraw/zinc/41/01/70/1030410170.db2.gz DTODKBSXQGLNRO-INIZCTEOSA-N -1 3 309.409 3.975 20 0 DHADHM CC(C)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000016719248 1030476813 /nfs/dbraw/zinc/47/68/13/1030476813.db2.gz HKRHFWOOIDFBLB-GZTJUZNOSA-N -1 3 306.365 3.533 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)o1 ZINC000358432047 1030486914 /nfs/dbraw/zinc/48/69/14/1030486914.db2.gz WILRYPIMMZWLPQ-LBPRGKRZSA-N -1 3 319.382 3.682 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824154465 1030486888 /nfs/dbraw/zinc/48/68/88/1030486888.db2.gz OIUMOFPAEZVCRL-CYBMUJFWSA-N -1 3 321.465 3.839 20 0 DHADHM O=C(CCCc1ccccc1Cl)[N-]OCCC(F)(F)F ZINC000291431912 1030500092 /nfs/dbraw/zinc/50/00/92/1030500092.db2.gz ZVLURSINZGMIPM-UHFFFAOYSA-N -1 3 309.715 3.663 20 0 DHADHM CCOc1ccc(N[C@H](C)c2cc([O-])cc(F)c2)cc1CO ZINC000926055867 1030592040 /nfs/dbraw/zinc/59/20/40/1030592040.db2.gz IKPIXQRQCDBVOH-LLVKDONJSA-N -1 3 305.349 3.595 20 0 DHADHM COc1cccc(C(=O)N2CCCCCc3ccccc32)c1[O-] ZINC001136909715 1030603513 /nfs/dbraw/zinc/60/35/13/1030603513.db2.gz ZCBFDHCHUWVRCH-UHFFFAOYSA-N -1 3 311.381 3.774 20 0 DHADHM COC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212007703 1030642255 /nfs/dbraw/zinc/64/22/55/1030642255.db2.gz YRFJGDDQMCWUSX-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM [O-]c1ccc(Nc2cc(Br)ccc2O)c(F)c1F ZINC001212007722 1030642678 /nfs/dbraw/zinc/64/26/78/1030642678.db2.gz ZWEWJIJOCKVJBD-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM COC(=O)CCCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212011054 1030655532 /nfs/dbraw/zinc/65/55/32/1030655532.db2.gz OTLPZTSKDVGFAP-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM COC(=O)c1c(C)c(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001212013720 1030657536 /nfs/dbraw/zinc/65/75/36/1030657536.db2.gz GLVIMDNSAALLGF-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1cc(F)cc(Cl)c1 ZINC000558588997 1030666452 /nfs/dbraw/zinc/66/64/52/1030666452.db2.gz FRZXYQTWQHQSLM-UHFFFAOYSA-N -1 3 319.810 3.525 20 0 DHADHM COc1cc(C(C)=O)c(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212016283 1030672369 /nfs/dbraw/zinc/67/23/69/1030672369.db2.gz IASKNKXTQOGPAB-UHFFFAOYSA-N -1 3 311.259 3.764 20 0 DHADHM CC1(C)COC(c2ccc(Nc3ccc([O-])c(F)c3F)cc2)=N1 ZINC001212016493 1030674827 /nfs/dbraw/zinc/67/48/27/1030674827.db2.gz SEFGUXOMXLOQEP-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC001212046082 1030724197 /nfs/dbraw/zinc/72/41/97/1030724197.db2.gz STYQNEUWWDYPDL-UHFFFAOYSA-N -1 3 319.829 3.728 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)CC3CCCC3)n[n-]2)o1 ZINC000359004670 1030725218 /nfs/dbraw/zinc/72/52/18/1030725218.db2.gz UVILEKKORZOITI-JTQLQIEISA-N -1 3 302.378 3.528 20 0 DHADHM O=C([N-]Cc1ccc[nH]1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001137018053 1030784542 /nfs/dbraw/zinc/78/45/42/1030784542.db2.gz FZJIWVGWYFGCCT-UHFFFAOYSA-N -1 3 319.138 3.730 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2F)[C@H]2CCC[C@@H]21 ZINC000629373597 1030798526 /nfs/dbraw/zinc/79/85/26/1030798526.db2.gz KEBUYMJNRPMDKU-NFAWXSAZSA-N -1 3 311.784 3.554 20 0 DHADHM CC[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCC(C)CC1 ZINC000359285398 1030885090 /nfs/dbraw/zinc/88/50/90/1030885090.db2.gz VUCDHENXQSIFKM-UDNWOFFPSA-N -1 3 318.343 3.615 20 0 DHADHM CC[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCC(C)CC1 ZINC000359285398 1030885109 /nfs/dbraw/zinc/88/51/09/1030885109.db2.gz VUCDHENXQSIFKM-UDNWOFFPSA-N -1 3 318.343 3.615 20 0 DHADHM O=C(NCC1CCC(F)CC1)c1cc([O-])c2ccccc2c1 ZINC000844098024 1030954321 /nfs/dbraw/zinc/95/43/21/1030954321.db2.gz UJLZOHKIHCSRPI-UHFFFAOYSA-N -1 3 301.361 3.804 20 0 DHADHM COc1cc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)ccc1[O-] ZINC000067735101 1030961602 /nfs/dbraw/zinc/96/16/02/1030961602.db2.gz RAYRQUNTHREGHH-VMPITWQZSA-N -1 3 315.344 3.502 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2c(Cl)cncc2Cl)s1 ZINC000292444396 1031001480 /nfs/dbraw/zinc/00/14/80/1031001480.db2.gz IBQRKEGQMCZJBB-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2)n1 ZINC001143956880 1031110929 /nfs/dbraw/zinc/11/09/29/1031110929.db2.gz BAICDTKXRRFSGH-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM O=C(NCC[C@H]1CCCS1)c1cc2sccc2c([O-])c1 ZINC000871035704 1031129274 /nfs/dbraw/zinc/12/92/74/1031129274.db2.gz SFIDNTQBNNJMQX-LLVKDONJSA-N -1 3 307.440 3.622 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCCCC(F)(F)F)o1 ZINC000871210246 1031160092 /nfs/dbraw/zinc/16/00/92/1031160092.db2.gz BFEAUWORSCPKQE-CMPLNLGQSA-N -1 3 319.323 3.726 20 0 DHADHM O=C(CC/C=C/c1ccccc1)[N-]OCCCC(F)(F)F ZINC000871213342 1031161986 /nfs/dbraw/zinc/16/19/86/1031161986.db2.gz OZXSGLFHEVABAH-RUDMXATFSA-N -1 3 301.308 3.870 20 0 DHADHM C[C@@H](CCC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871213141 1031162200 /nfs/dbraw/zinc/16/22/00/1031162200.db2.gz KDWLRJKKXNEDBJ-LBPRGKRZSA-N -1 3 303.324 3.961 20 0 DHADHM C[C@H](CCc1ccc(F)cc1)C(=O)[N-]OCCCC(F)(F)F ZINC000871218081 1031167127 /nfs/dbraw/zinc/16/71/27/1031167127.db2.gz FMWLUJVCLNGBIF-LLVKDONJSA-N -1 3 321.314 3.785 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCC2)c1Cl ZINC000615121328 1031279259 /nfs/dbraw/zinc/27/92/59/1031279259.db2.gz KDNYWHPIOBOMQS-UHFFFAOYSA-N -1 3 322.257 3.913 20 0 DHADHM C[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc([O-])c1F ZINC000872017365 1031397979 /nfs/dbraw/zinc/39/79/79/1031397979.db2.gz AHLDMIYLBUYKDB-SNVBAGLBSA-N -1 3 311.303 3.984 20 0 DHADHM COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872017416 1031398701 /nfs/dbraw/zinc/39/87/01/1031398701.db2.gz AZOCEMPXOXHZGE-RYUDHWBXSA-N -1 3 319.376 3.960 20 0 DHADHM C[C@@H](N[C@H]1COc2c1cccc2Cl)c1cccc([O-])c1F ZINC000872048249 1031436542 /nfs/dbraw/zinc/43/65/42/1031436542.db2.gz HZVRFBVBRAFFGK-RNCFNFMXSA-N -1 3 307.752 3.969 20 0 DHADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc([O-])c1F ZINC000872051655 1031437942 /nfs/dbraw/zinc/43/79/42/1031437942.db2.gz JWLUKZHENRODHP-GFCCVEGCSA-N -1 3 303.381 3.694 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)cc2ncoc21 ZINC001144631251 1031780041 /nfs/dbraw/zinc/78/00/41/1031780041.db2.gz LTULYAPSAXYGIW-UHFFFAOYSA-N -1 3 320.707 3.507 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144657622 1031794917 /nfs/dbraw/zinc/79/49/17/1031794917.db2.gz ANQJGQHWIUOPHT-NSHDSACASA-N -1 3 307.340 3.872 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(c3ccc(O)cc3)CC2)cc1F ZINC001144659464 1031812839 /nfs/dbraw/zinc/81/28/39/1031812839.db2.gz JSHXAZUNDANJPK-UHFFFAOYSA-N -1 3 319.351 3.756 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cc3ncccc3o2)s1 ZINC000930420326 1031813222 /nfs/dbraw/zinc/81/32/22/1031813222.db2.gz REGYGRQUXPHCGN-UHFFFAOYSA-N -1 3 316.386 3.664 20 0 DHADHM O=C([O-])c1ccsc1CN1CCCC[C@H]1c1cccnc1 ZINC001144677961 1031819884 /nfs/dbraw/zinc/81/98/84/1031819884.db2.gz JEYWEESEDUKWAI-AWEZNQCLSA-N -1 3 302.399 3.569 20 0 DHADHM CCC[C@@H](CC)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000873506907 1031851767 /nfs/dbraw/zinc/85/17/67/1031851767.db2.gz VXXJKTFRQMRTBN-CYBMUJFWSA-N -1 3 314.385 3.889 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CC(C)(C)c1ccccc1 ZINC001144730863 1031897000 /nfs/dbraw/zinc/89/70/00/1031897000.db2.gz AVUCWFDJSQJQKY-UHFFFAOYSA-N -1 3 311.381 3.901 20 0 DHADHM C/C(=C/CN(CCc1ccc(C)cc1)Cc1ccco1)C(=O)[O-] ZINC000846251581 1031942943 /nfs/dbraw/zinc/94/29/43/1031942943.db2.gz LNBMVVALKAWFNS-SXGWCWSVSA-N -1 3 313.397 3.664 20 0 DHADHM CCCCCC[C@](C)(CCC)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898263163 1032008922 /nfs/dbraw/zinc/00/89/22/1032008922.db2.gz SXTRNDPTPAGJPZ-SFHVURJKSA-N -1 3 321.465 3.884 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846583911 1032024223 /nfs/dbraw/zinc/02/42/23/1032024223.db2.gz SGONYARFPWWPSW-OAHLLOKOSA-N -1 3 323.364 3.868 20 0 DHADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OC1CCCCC1 ZINC000777959755 1032043806 /nfs/dbraw/zinc/04/38/06/1032043806.db2.gz BOQVLVHFRJHFEX-UHFFFAOYSA-N -1 3 301.308 3.628 20 0 DHADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)[N-]OC1CCCCC1 ZINC000777961733 1032046712 /nfs/dbraw/zinc/04/67/12/1032046712.db2.gz MEAILMWUCWVVRT-UHFFFAOYSA-N -1 3 315.413 3.519 20 0 DHADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC000105971701 1032053456 /nfs/dbraw/zinc/05/34/56/1032053456.db2.gz AKQPPENLPKUWQR-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CCCCCN(Cn1[n-]c(-c2ccccn2)nc1=S)C(C)C ZINC000117319347 1033337446 /nfs/dbraw/zinc/33/74/46/1033337446.db2.gz DOMAVKPCWZLVLL-UHFFFAOYSA-N -1 3 319.478 3.861 20 0 DHADHM C[C@@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)Cc2ccccc21 ZINC000877937396 1033524096 /nfs/dbraw/zinc/52/40/96/1033524096.db2.gz LWHGPNGPOTZELQ-CYBMUJFWSA-N -1 3 321.380 3.562 20 0 DHADHM O=C([N-]OCC1CCC1)C1(CCCOCc2ccccc2)CC1 ZINC000826626856 1033643414 /nfs/dbraw/zinc/64/34/14/1033643414.db2.gz CAOAPATUBRRDSC-UHFFFAOYSA-N -1 3 317.429 3.612 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccnc1C1CC1 ZINC001212735102 1033755145 /nfs/dbraw/zinc/75/51/45/1033755145.db2.gz DTRAAEPXZRAMFQ-UHFFFAOYSA-N -1 3 306.163 3.566 20 0 DHADHM CCc1ccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000479478100 1033773732 /nfs/dbraw/zinc/77/37/32/1033773732.db2.gz UTYXHCVXMLGDFG-GFCCVEGCSA-N -1 3 324.384 3.678 20 0 DHADHM CCCN(CC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667545769 1033877521 /nfs/dbraw/zinc/87/75/21/1033877521.db2.gz IYCJHXKGTYABET-UHFFFAOYSA-N -1 3 307.337 3.529 20 0 DHADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000567173097 1034001968 /nfs/dbraw/zinc/00/19/68/1034001968.db2.gz MKPMMAQGGPDXJQ-CYBMUJFWSA-N -1 3 317.385 3.878 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc(F)ccc1F ZINC001173948592 1034007949 /nfs/dbraw/zinc/00/79/49/1034007949.db2.gz LMSHNNILAISFHC-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM COc1ccc(OC)c(OC)c1Nc1ccc([O-])c(Cl)c1 ZINC001174054967 1034060420 /nfs/dbraw/zinc/06/04/20/1034060420.db2.gz PDJMOHICXBFIHE-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM Cn1ccc2cc(Nc3ncc(Br)cc3[O-])ccc21 ZINC001174097486 1034106824 /nfs/dbraw/zinc/10/68/24/1034106824.db2.gz YRFKWQWKVUEIFS-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Cn1ccc2cc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)ccc21 ZINC001174099464 1034109670 /nfs/dbraw/zinc/10/96/70/1034109670.db2.gz SLAZRZFMHBUQNI-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM O=C(c1ccc(Nc2cc([O-])c(F)cc2F)cc1)N1CCCC1 ZINC001174068346 1034126494 /nfs/dbraw/zinc/12/64/94/1034126494.db2.gz VSBBOWSQDHAXTL-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CCOC(=O)c1c([N-]c2cnccc2C)onc1-c1ccccc1 ZINC001174117956 1034127038 /nfs/dbraw/zinc/12/70/38/1034127038.db2.gz GRTUAXOZZGFMAH-UHFFFAOYSA-N -1 3 323.352 3.965 20 0 DHADHM CCN(CC)C(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174163707 1034184614 /nfs/dbraw/zinc/18/46/14/1034184614.db2.gz IUTMCUKRDIQCTH-UHFFFAOYSA-N -1 3 319.792 3.666 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000177921765 1034197846 /nfs/dbraw/zinc/19/78/46/1034197846.db2.gz QHIAHBOEYDTBRF-SJKOYZFVSA-N -1 3 315.392 3.822 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC(F)(F)C1 ZINC000480325029 1034198029 /nfs/dbraw/zinc/19/80/29/1034198029.db2.gz HFQGVDKZCUVEFS-SSDOTTSWSA-N -1 3 309.234 3.785 20 0 DHADHM O=c1[n-]cncc1Nc1ccccc1OCc1ccc(F)cc1 ZINC001174308620 1034278330 /nfs/dbraw/zinc/27/83/30/1034278330.db2.gz HYSWVWBCCQCWCG-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174321897 1034286683 /nfs/dbraw/zinc/28/66/83/1034286683.db2.gz NHZIRYGXFGDCCT-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM COc1ccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)cc1OC ZINC000864354272 1034326714 /nfs/dbraw/zinc/32/67/14/1034326714.db2.gz DPDURUFADLDIFJ-UHFFFAOYSA-N -1 3 316.382 3.698 20 0 DHADHM O=c1cc(Nc2ccc(C(F)(F)F)cc2F)nc(C2CC2)[n-]1 ZINC001174400265 1034329638 /nfs/dbraw/zinc/32/96/38/1034329638.db2.gz VYGNGYWBWFWFPW-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2ncsc2c1 ZINC001174363552 1034339671 /nfs/dbraw/zinc/33/96/71/1034339671.db2.gz RJKWEKFDPVBISF-UHFFFAOYSA-N -1 3 322.187 3.903 20 0 DHADHM CC(=O)NCc1cccc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001174369635 1034345155 /nfs/dbraw/zinc/34/51/55/1034345155.db2.gz VBLFZOBHGORQFA-UHFFFAOYSA-N -1 3 304.777 3.734 20 0 DHADHM CC(C)(C)c1nc(CN[C@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC000864520306 1034374570 /nfs/dbraw/zinc/37/45/70/1034374570.db2.gz QVUOYMRDSYLSJK-CQSZACIVSA-N -1 3 324.490 3.954 20 0 DHADHM [O-]c1ccc(Nc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC001174445921 1034388610 /nfs/dbraw/zinc/38/86/10/1034388610.db2.gz TZNGMQJNSAXVOV-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM CC(C)(O)c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001174405086 1034391697 /nfs/dbraw/zinc/39/16/97/1034391697.db2.gz LWKJCQFUNUDBFD-UHFFFAOYSA-N -1 3 323.190 3.521 20 0 DHADHM CCS(=O)(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174463895 1034425435 /nfs/dbraw/zinc/42/54/35/1034425435.db2.gz QLELOMROQGURAN-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM CC(C)c1nc(C2(NCc3cc([O-])cc(F)c3)CCCC2)no1 ZINC000185506029 1034554008 /nfs/dbraw/zinc/55/40/08/1034554008.db2.gz FZHAUTHHGZWTBK-UHFFFAOYSA-N -1 3 319.380 3.597 20 0 DHADHM Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1C(C)C ZINC000899350207 1034595677 /nfs/dbraw/zinc/59/56/77/1034595677.db2.gz WVVSVOSFJOBNEP-CYBMUJFWSA-N -1 3 314.307 3.622 20 0 DHADHM O=c1cc(C=Cc2csc(C(F)(F)F)n2)nc(C2CC2)[n-]1 ZINC000899375203 1034609137 /nfs/dbraw/zinc/60/91/37/1034609137.db2.gz VPPBVYQNBBVRPT-ARJAWSKDSA-N -1 3 313.304 3.705 20 0 DHADHM COC(=O)c1c(C)c(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175099524 1034780962 /nfs/dbraw/zinc/78/09/62/1034780962.db2.gz KYVBXGHOMSPHTG-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM COCCOc1ccc(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175100333 1034781676 /nfs/dbraw/zinc/78/16/76/1034781676.db2.gz PPZCEBYSWITMKV-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM COC(=O)c1cc(Nc2c(F)cc([O-])cc2F)c(C)cc1C ZINC001175100088 1034781796 /nfs/dbraw/zinc/78/17/96/1034781796.db2.gz UXRRZJVUYIJZCB-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(Oc3ncccn3)cc2)c(F)c1 ZINC001175100341 1034782251 /nfs/dbraw/zinc/78/22/51/1034782251.db2.gz PZODOQQQLKEECK-UHFFFAOYSA-N -1 3 315.279 3.996 20 0 DHADHM CCOC(=O)c1ccc(NC)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100640 1034782623 /nfs/dbraw/zinc/78/26/23/1034782623.db2.gz ZZRCZPUDYBLFGS-UHFFFAOYSA-N -1 3 322.311 3.632 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175101947 1034783214 /nfs/dbraw/zinc/78/32/14/1034783214.db2.gz BFJJSVKVQAFDKZ-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=c1[n-]cncc1Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001175137259 1034835631 /nfs/dbraw/zinc/83/56/31/1034835631.db2.gz GSDMICCYLTXGDL-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CC(F)F)C1CCC1 ZINC000899785697 1034895208 /nfs/dbraw/zinc/89/52/08/1034895208.db2.gz HXWVNBUQJUKSFN-UHFFFAOYSA-N -1 3 315.335 3.500 20 0 DHADHM CCOc1cc(F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175286156 1034898324 /nfs/dbraw/zinc/89/83/24/1034898324.db2.gz CAUQVGWJIUGVAP-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM CC(C)OC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175259471 1034910091 /nfs/dbraw/zinc/91/00/91/1034910091.db2.gz NBXIZFGORWTMQI-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1c(F)ccc([O-])c1F ZINC001175261256 1034911313 /nfs/dbraw/zinc/91/13/13/1034911313.db2.gz IYYWQVPVQHJZJD-UHFFFAOYSA-N -1 3 321.714 3.759 20 0 DHADHM CCOC(=O)c1cc(C)sc1Nc1c(F)ccc([O-])c1F ZINC001175261635 1034912592 /nfs/dbraw/zinc/91/25/92/1034912592.db2.gz PFCPPRMGZWZVCH-UHFFFAOYSA-N -1 3 313.325 3.961 20 0 DHADHM O=C([O-])c1cc(Cl)ccc1CN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001142647266 1034913568 /nfs/dbraw/zinc/91/35/68/1034913568.db2.gz ULLIRKDYJOYKGO-MFKMUULPSA-N -1 3 315.747 3.515 20 0 DHADHM CC(C)(C)c1cc2ncc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175265149 1034913690 /nfs/dbraw/zinc/91/36/90/1034913690.db2.gz CRTBPWKQJJPKMT-UHFFFAOYSA-N -1 3 318.327 3.754 20 0 DHADHM CCOC(=O)Nc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267830 1034913810 /nfs/dbraw/zinc/91/38/10/1034913810.db2.gz IWDHKNUYZNHBLR-UHFFFAOYSA-N -1 3 308.284 3.982 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267918 1034914084 /nfs/dbraw/zinc/91/40/84/1034914084.db2.gz CPHXYWOVHUWPRX-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM COCCOc1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175269015 1034916481 /nfs/dbraw/zinc/91/64/81/1034916481.db2.gz WOWHTERMEAXDKC-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C3CCC3)CC2)cc1[O-] ZINC001175328380 1034935140 /nfs/dbraw/zinc/93/51/40/1034935140.db2.gz CPQCBPASICDCJV-HNNXBMFYSA-N -1 3 315.413 3.637 20 0 DHADHM c1c(C2CCCCC2)noc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175424700 1034979066 /nfs/dbraw/zinc/97/90/66/1034979066.db2.gz BUDAARKVKQTWKF-UHFFFAOYSA-N -1 3 310.361 3.646 20 0 DHADHM FC(F)(F)c1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429559 1034979229 /nfs/dbraw/zinc/97/92/29/1034979229.db2.gz WKRWWJFOOBFIPD-UHFFFAOYSA-N -1 3 305.263 3.629 20 0 DHADHM Cn1ncc2c1cccc2Nc1cccc([O-])c1Br ZINC001175439930 1034985783 /nfs/dbraw/zinc/98/57/83/1034985783.db2.gz QOCNVQOCAYADEQ-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Cc1ccc(CN(C)Cc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001142657286 1035001293 /nfs/dbraw/zinc/00/12/93/1035001293.db2.gz UJMNNNITECLVNR-UHFFFAOYSA-N -1 3 303.789 3.979 20 0 DHADHM Cn1ncc2cccc(Nc3cccc([O-])c3Br)c21 ZINC001175447703 1035004064 /nfs/dbraw/zinc/00/40/64/1035004064.db2.gz CKQPOGMPAZSVCD-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 ZINC000615166493 1035098206 /nfs/dbraw/zinc/09/82/06/1035098206.db2.gz BDGQXVPHUPWNAH-OAHLLOKOSA-N -1 3 305.443 3.765 20 0 DHADHM C[C@H](CCC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000158864657 1035105360 /nfs/dbraw/zinc/10/53/60/1035105360.db2.gz MTBKVGACYDNBSA-GFCCVEGCSA-N -1 3 310.357 3.587 20 0 DHADHM O=c1ccn(-c2ccc(Nc3ccc4ccncc4c3)cc2)[n-]1 ZINC001175707685 1035106305 /nfs/dbraw/zinc/10/63/05/1035106305.db2.gz KCFGJLCBQWORSY-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM CCOC(=O)c1nnsc1[N-]c1ccc(Cl)c(Cl)c1 ZINC001176541693 1035289050 /nfs/dbraw/zinc/28/90/50/1035289050.db2.gz YWLBTHCRNYVAPC-UHFFFAOYSA-N -1 3 318.185 3.765 20 0 DHADHM CN(C)Cc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588992 1035291140 /nfs/dbraw/zinc/29/11/40/1035291140.db2.gz SGGULGRLQJLLCR-UHFFFAOYSA-N -1 3 310.397 3.608 20 0 DHADHM O=C([O-])C[C@H](NCc1coc2ccccc12)c1cccs1 ZINC000161082125 1035293345 /nfs/dbraw/zinc/29/33/45/1035293345.db2.gz CAXAJSKQLFTFDP-ZDUSSCGKSA-N -1 3 301.367 3.800 20 0 DHADHM CC(C)Oc1ccc(Cl)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001176645753 1035306675 /nfs/dbraw/zinc/30/66/75/1035306675.db2.gz PBKSMSGCGUMWDD-UHFFFAOYSA-N -1 3 320.776 3.675 20 0 DHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000668314543 1035319112 /nfs/dbraw/zinc/31/91/12/1035319112.db2.gz RUDADFZQVXDDLU-NWDGAFQWSA-N -1 3 303.402 3.634 20 0 DHADHM CCc1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000904017952 1035339806 /nfs/dbraw/zinc/33/98/06/1035339806.db2.gz NHSCQYRVCDEEML-UHFFFAOYSA-N -1 3 311.353 3.577 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904005452 1035343614 /nfs/dbraw/zinc/34/36/14/1035343614.db2.gz RRWGYBRHCMUWOD-KUHUBIRLSA-N -1 3 324.424 3.512 20 0 DHADHM Cc1ccc(-c2ccc(CN[C@H]3C=CC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000904035099 1035348450 /nfs/dbraw/zinc/34/84/50/1035348450.db2.gz CZVPTHBDPAGZFU-HOTGVXAUSA-N -1 3 311.381 3.764 20 0 DHADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc(C(C)C)s2)c1 ZINC000904044513 1035351566 /nfs/dbraw/zinc/35/15/66/1035351566.db2.gz BRYCVBYAXLMIRZ-HNNXBMFYSA-N -1 3 318.442 3.881 20 0 DHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000904400039 1035409525 /nfs/dbraw/zinc/40/95/25/1035409525.db2.gz CVTPPIXOXZCEQK-ZDUSSCGKSA-N -1 3 321.364 3.844 20 0 DHADHM Cc1ccc(CCC(=O)Nc2cc(=O)[n-]c(C)n2)c2ccccc12 ZINC001178593640 1035436232 /nfs/dbraw/zinc/43/62/32/1035436232.db2.gz FKOKNDOIMGRISD-UHFFFAOYSA-N -1 3 321.380 3.524 20 0 DHADHM COc1ccc(CNCc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC001179506722 1035482130 /nfs/dbraw/zinc/48/21/30/1035482130.db2.gz IBYFFDRSKSENMO-UHFFFAOYSA-N -1 3 312.196 3.997 20 0 DHADHM CCc1nc(C(C)C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000905374185 1035511580 /nfs/dbraw/zinc/51/15/80/1035511580.db2.gz RRCGKOWQQJJUGB-GOSISDBHSA-N -1 3 312.413 3.683 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CC2)Oc2ccccc21 ZINC001180161263 1035613296 /nfs/dbraw/zinc/61/32/96/1035613296.db2.gz VYDCTUURWQGJCB-UHFFFAOYSA-N -1 3 315.756 3.617 20 0 DHADHM Cc1scc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1C ZINC000905737229 1035634060 /nfs/dbraw/zinc/63/40/60/1035634060.db2.gz DBWVMIXXJGPHPS-UHFFFAOYSA-N -1 3 321.364 3.594 20 0 DHADHM C[S@@](=O)(=NC(=O)c1cc2occc2[n-]1)c1cccc(Cl)c1 ZINC001180602646 1035728922 /nfs/dbraw/zinc/72/89/22/1035728922.db2.gz LDTHYCXYWGPLEK-NRFANRHFSA-N -1 3 322.773 3.711 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC001180606113 1035731087 /nfs/dbraw/zinc/73/10/87/1035731087.db2.gz ZKLKRMCGBJFXSW-UHFFFAOYSA-N -1 3 311.381 3.820 20 0 DHADHM Cc1ccc2cccnc2c1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193936599 1035764835 /nfs/dbraw/zinc/76/48/35/1035764835.db2.gz PFIXGESUACLMDX-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM O=C([N-][C@@H](c1ccccn1)C1CC1)C(F)(F)c1ccc(F)cc1 ZINC000906250511 1035863264 /nfs/dbraw/zinc/86/32/64/1035863264.db2.gz XBQSDRQWJVFATI-OAHLLOKOSA-N -1 3 320.314 3.580 20 0 DHADHM CCc1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1[O-] ZINC000539876512 1035916350 /nfs/dbraw/zinc/91/63/50/1035916350.db2.gz QHXNEKLCRNVFFO-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194638080 1035973295 /nfs/dbraw/zinc/97/32/95/1035973295.db2.gz HENIEFJNZYXSFE-UHFFFAOYSA-N -1 3 303.427 3.975 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC001194633860 1035973541 /nfs/dbraw/zinc/97/35/41/1035973541.db2.gz FXWKWTFJGAZUSA-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(Nc1ccc2cc(F)ccc2c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194783903 1036020514 /nfs/dbraw/zinc/02/05/14/1036020514.db2.gz XMQPJRZCQVGZOH-UHFFFAOYSA-N -1 3 323.249 3.973 20 0 DHADHM O=C(N=c1[nH]c2c(cccc2[O-])s1)Oc1ccc(F)cc1 ZINC001194998546 1036100600 /nfs/dbraw/zinc/10/06/00/1036100600.db2.gz LWAFSMTXRKGJGL-UHFFFAOYSA-N -1 3 304.302 3.752 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3F)no2)o1 ZINC000774000968 1036127994 /nfs/dbraw/zinc/12/79/94/1036127994.db2.gz BDZYAVLAWQAHDF-UHFFFAOYSA-N -1 3 314.272 3.529 20 0 DHADHM O=C(Nc1cncc([O-])c1)C1(c2cccc(Cl)c2)CCC1 ZINC001182232566 1036138514 /nfs/dbraw/zinc/13/85/14/1036138514.db2.gz QAUYJBYZONSSDM-UHFFFAOYSA-N -1 3 302.761 3.501 20 0 DHADHM COc1cccc(CCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153536001 1036247911 /nfs/dbraw/zinc/24/79/11/1036247911.db2.gz AHLAEPVATGHWBY-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM FC(F)(F)c1ccnc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168478023 1036274965 /nfs/dbraw/zinc/27/49/65/1036274965.db2.gz HCBFJLBYFQSRTO-SECBINFHSA-N -1 3 322.212 3.606 20 0 DHADHM [O-]c1cccc(CN2CCC([C@@H]3CCCCO3)CC2)c1Cl ZINC000668628498 1036291519 /nfs/dbraw/zinc/29/15/19/1036291519.db2.gz YIJOAHPVVUVQEV-INIZCTEOSA-N -1 3 309.837 3.827 20 0 DHADHM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195754939 1036329155 /nfs/dbraw/zinc/32/91/55/1036329155.db2.gz FCSAQPRZMWSMQN-LBPRGKRZSA-N -1 3 305.399 3.707 20 0 DHADHM CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195754939 1036329169 /nfs/dbraw/zinc/32/91/69/1036329169.db2.gz FCSAQPRZMWSMQN-LBPRGKRZSA-N -1 3 305.399 3.707 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c1[O-] ZINC000541476390 1036333358 /nfs/dbraw/zinc/33/33/58/1036333358.db2.gz GAPZVBNNAIPPPB-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM COc1cccc(NC(=S)Nc2ccc([O-])c(Cl)c2)c1 ZINC001196049969 1036430144 /nfs/dbraw/zinc/43/01/44/1036430144.db2.gz RZZGHPPAQQCQRS-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM O=C(OCCOc1ccc2ccccc2c1)c1ccc([O-])cc1 ZINC000914885310 1036438346 /nfs/dbraw/zinc/43/83/46/1036438346.db2.gz YZSPDCNZHAVMAL-UHFFFAOYSA-N -1 3 308.333 3.781 20 0 DHADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000541891706 1036451569 /nfs/dbraw/zinc/45/15/69/1036451569.db2.gz SJLVOSVLZNIYKO-LBPRGKRZSA-N -1 3 316.364 3.602 20 0 DHADHM O=C(CCOc1ccccc1Cl)Nc1ccc(F)c([O-])c1 ZINC001182908496 1036481289 /nfs/dbraw/zinc/48/12/89/1036481289.db2.gz GBTHGZIATFWLRH-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3C3(C)CC3)n[n-]2)o1 ZINC001182930472 1036494289 /nfs/dbraw/zinc/49/42/89/1036494289.db2.gz CHJSZLXFAJUXNG-UHFFFAOYSA-N -1 3 322.368 3.677 20 0 DHADHM COc1ccc([C@@H](C(=O)Nc2ccc(F)c([O-])c2)C(C)C)cc1 ZINC001182988001 1036496664 /nfs/dbraw/zinc/49/66/64/1036496664.db2.gz HCLUYJARKDJMJP-KRWDZBQOSA-N -1 3 317.360 3.918 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)c1 ZINC000487060464 1036518543 /nfs/dbraw/zinc/51/85/43/1036518543.db2.gz PUMIFAWZNWTJQL-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM CCNC(=O)Nc1ccc(C)c(NCc2cc([O-])cc(F)c2)c1 ZINC000487172922 1036556270 /nfs/dbraw/zinc/55/62/70/1036556270.db2.gz PLIYFVSSVMSNMJ-UHFFFAOYSA-N -1 3 317.364 3.593 20 0 DHADHM CC[C@H](C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000303748966 1036622988 /nfs/dbraw/zinc/62/29/88/1036622988.db2.gz BFZCIJZSZXAEQF-UGSOOPFHSA-N -1 3 315.388 3.977 20 0 DHADHM Cc1cccc([C@H](C)SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774679995 1036667373 /nfs/dbraw/zinc/66/73/73/1036667373.db2.gz OPALGDMLZMQESZ-NSHDSACASA-N -1 3 305.365 3.858 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@](F)(c3ccccc3)C2)n1 ZINC001197076759 1036683133 /nfs/dbraw/zinc/68/31/33/1036683133.db2.gz HCIAEUTVTQRQBA-KDOFPFPSSA-N -1 3 315.392 3.512 20 0 DHADHM CC(C)(NCc1cc([O-])cc(F)c1)c1cc(C(F)(F)F)on1 ZINC000492151392 1036764414 /nfs/dbraw/zinc/76/44/14/1036764414.db2.gz MMAAMPJNXPEBEO-UHFFFAOYSA-N -1 3 318.270 3.563 20 0 DHADHM O=C(CCCCOc1ccccc1)Nc1ccc(F)c([O-])c1 ZINC001184365606 1036834593 /nfs/dbraw/zinc/83/45/93/1036834593.db2.gz MIECFJPXZSFGJD-UHFFFAOYSA-N -1 3 303.333 3.719 20 0 DHADHM Cc1ccc(-c2cc(COC(=O)c3ccc([O-])cc3)on2)cc1 ZINC000915369463 1036848671 /nfs/dbraw/zinc/84/86/71/1036848671.db2.gz BEWHKPHSDWAPPR-UHFFFAOYSA-N -1 3 309.321 3.713 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]CCCC2CCCC2)c(F)cc1F ZINC001184462248 1036852872 /nfs/dbraw/zinc/85/28/72/1036852872.db2.gz ITSVQDRSRWHMBA-UHFFFAOYSA-N -1 3 317.401 3.522 20 0 DHADHM Cc1ccc(N(Cc2cc(=O)[n-]c(C3CC3)n2)C2CCC2)cc1 ZINC001197720748 1036856238 /nfs/dbraw/zinc/85/62/38/1036856238.db2.gz VEKWTCRLKGKHCC-UHFFFAOYSA-N -1 3 309.413 3.927 20 0 DHADHM O=C(CCc1ccccc1OC(F)(F)F)[N-]OC1CCCC1 ZINC000774876806 1037141067 /nfs/dbraw/zinc/14/10/67/1037141067.db2.gz YDSJZGSQBNWXDZ-UHFFFAOYSA-N -1 3 317.307 3.508 20 0 DHADHM CCCCCC[C@](C)(CC)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850625 1037223967 /nfs/dbraw/zinc/22/39/67/1037223967.db2.gz CCKCOCKENQZXKP-KDOFPFPSSA-N -1 3 321.465 3.818 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1cccc(Cc2ccc(F)cc2)c1 ZINC001185924172 1037272043 /nfs/dbraw/zinc/27/20/43/1037272043.db2.gz FAAMJDRJRPKGPM-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM O=C(/C=C\c1cc(Cl)ccc1Cl)[N-]OCC(F)(F)F ZINC000311251813 1037288029 /nfs/dbraw/zinc/28/80/29/1037288029.db2.gz RWMCCPVGVIKBQX-RJRFIUFISA-N -1 3 314.090 3.617 20 0 DHADHM O=C(Nc1ncc([O-])cc1Cl)Nc1c(F)cc(F)cc1F ZINC001186024144 1037296154 /nfs/dbraw/zinc/29/61/54/1037296154.db2.gz YAXRSWMJGYSBKC-UHFFFAOYSA-N -1 3 317.654 3.502 20 0 DHADHM CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000005060753 1037350462 /nfs/dbraw/zinc/35/04/62/1037350462.db2.gz IQIGJQMPEJUDIV-ZDUSSCGKSA-N -1 3 312.365 3.945 20 0 DHADHM CC(C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521183 1037417415 /nfs/dbraw/zinc/41/74/15/1037417415.db2.gz UQPGWSCMLYBUFG-UHFFFAOYSA-N -1 3 320.805 3.675 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC001186460476 1037421686 /nfs/dbraw/zinc/42/16/86/1037421686.db2.gz JYMHHJWVRYKODM-MRXNPFEDSA-N -1 3 324.380 3.794 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Cc2ccccc2)cc1 ZINC001186534949 1037437535 /nfs/dbraw/zinc/43/75/35/1037437535.db2.gz VPXOZAHMFKREES-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2nc(C(C)(C)C)cs2)n1 ZINC000763207633 1037477980 /nfs/dbraw/zinc/47/79/80/1037477980.db2.gz CILJJPFBKSVPRD-UHFFFAOYSA-N -1 3 309.460 3.678 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1C1CCCCC1 ZINC000056092550 1037520327 /nfs/dbraw/zinc/52/03/27/1037520327.db2.gz AKMWXGDSDSECSC-GOSISDBHSA-N -1 3 324.424 3.713 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000648948253 1037564541 /nfs/dbraw/zinc/56/45/41/1037564541.db2.gz IRJHSKSNGSRXBC-RDJZCZTQSA-N -1 3 317.429 3.547 20 0 DHADHM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1cc(F)cc(F)c1 ZINC001187540196 1037651146 /nfs/dbraw/zinc/65/11/46/1037651146.db2.gz LYINGJYCWJUULK-UHFFFAOYSA-N -1 3 322.315 3.626 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1cc(F)cc(F)c1 ZINC001187536168 1037651244 /nfs/dbraw/zinc/65/12/44/1037651244.db2.gz CYGRZHALVNEFKL-UHFFFAOYSA-N -1 3 321.308 3.924 20 0 DHADHM O=c1nc(Cl)cc(Sc2nc3ccc(F)cc3s2)[n-]1 ZINC001187593205 1037660239 /nfs/dbraw/zinc/66/02/39/1037660239.db2.gz FKPLWLABXOXGJS-UHFFFAOYSA-N -1 3 313.766 3.736 20 0 DHADHM Cc1csc2ncnc(NCCc3c(F)cc([O-])cc3F)c12 ZINC001187708696 1037704103 /nfs/dbraw/zinc/70/41/03/1037704103.db2.gz KHHTZVDHCFBANM-UHFFFAOYSA-N -1 3 321.352 3.638 20 0 DHADHM O=C([N-]c1nsc2ncccc12)c1ccoc1C(F)(F)F ZINC001187710639 1037708357 /nfs/dbraw/zinc/70/83/57/1037708357.db2.gz PHUMRCOUUMZMEI-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1nncc2ccccc21 ZINC000044395040 1037716880 /nfs/dbraw/zinc/71/68/80/1037716880.db2.gz ZULLUCXCSVQLEZ-UHFFFAOYSA-N -1 3 317.352 3.664 20 0 DHADHM O=C(OCc1ccccc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000913299486 1037790606 /nfs/dbraw/zinc/79/06/06/1037790606.db2.gz LUOPDDOCJOXTSQ-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM O=C(OCc1ccccc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000913299486 1037790626 /nfs/dbraw/zinc/79/06/26/1037790626.db2.gz LUOPDDOCJOXTSQ-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM CC(=O)Nc1cccc([C@H](C)NCc2cccc([O-])c2Cl)c1 ZINC000328333910 1037793699 /nfs/dbraw/zinc/79/36/99/1037793699.db2.gz JVKSAFAEWNYZON-NSHDSACASA-N -1 3 318.804 3.855 20 0 DHADHM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc([O-])cc(F)c1 ZINC000185477117 1037809835 /nfs/dbraw/zinc/80/98/35/1037809835.db2.gz NWTOBTUCCUTBHG-UHFFFAOYSA-N -1 3 314.360 3.800 20 0 DHADHM Cc1cc(NCc2cc([O-])cc(F)c2)n(Cc2ccccc2)n1 ZINC000185510633 1037813888 /nfs/dbraw/zinc/81/38/88/1037813888.db2.gz JGLDOHRLPYOXQW-UHFFFAOYSA-N -1 3 311.360 3.697 20 0 DHADHM CCc1ncsc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000124078219 1037879656 /nfs/dbraw/zinc/87/96/56/1037879656.db2.gz NJBFRBBAFOOJPN-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)cc1C ZINC000005694052 1037889111 /nfs/dbraw/zinc/88/91/11/1037889111.db2.gz MAEGUBMWNPOPPI-CQSZACIVSA-N -1 3 312.365 3.746 20 0 DHADHM COc1ccc(NC(=O)Nc2ccc(F)c([O-])c2)cc1Cl ZINC001188472668 1037907048 /nfs/dbraw/zinc/90/70/48/1037907048.db2.gz LHGMCZHTCYCQSB-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c([O-])c1 ZINC000124725533 1037910372 /nfs/dbraw/zinc/91/03/72/1037910372.db2.gz YCUBNBBQZSGDRP-UHFFFAOYSA-N -1 3 313.397 3.760 20 0 DHADHM Cc1ccccc1-c1cc(NC(=O)c2c(C)cccc2[O-])n(C)n1 ZINC001188640293 1037956882 /nfs/dbraw/zinc/95/68/82/1037956882.db2.gz MGQWDIIMOWVLLO-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2F)c1[O-] ZINC001202022747 1037967331 /nfs/dbraw/zinc/96/73/31/1037967331.db2.gz GUPLZZBFINHWKC-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(F)c(OC)cc2F)on1 ZINC000126405975 1038062574 /nfs/dbraw/zinc/06/25/74/1038062574.db2.gz FXBOGSKTTMLXBR-QMMMGPOBSA-N -1 3 310.300 3.727 20 0 DHADHM C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccccc1C(=O)[O-] ZINC000322166212 1038097140 /nfs/dbraw/zinc/09/71/40/1038097140.db2.gz WRWSQXOZVXJEGZ-LBPRGKRZSA-N -1 3 319.351 3.899 20 0 DHADHM CCCCOc1ccc(NC(=O)Nc2nc(C)ccc2[O-])cc1 ZINC001189289340 1038110005 /nfs/dbraw/zinc/11/00/05/1038110005.db2.gz WKKCMJVKDNAZFI-UHFFFAOYSA-N -1 3 315.373 3.919 20 0 DHADHM O=C([N-]c1cc(CCc2ccccc2)no1)Nc1nccs1 ZINC001189342917 1038133670 /nfs/dbraw/zinc/13/36/70/1038133670.db2.gz TVGFUHKVYSYCDI-UHFFFAOYSA-N -1 3 314.370 3.560 20 0 DHADHM COC(=O)Nc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000917056995 1038141905 /nfs/dbraw/zinc/14/19/05/1038141905.db2.gz XNELVBCUBZRJKW-UHFFFAOYSA-N -1 3 316.338 3.627 20 0 DHADHM O=C(Nc1cccc2nsnc21)Nc1c([O-])cccc1Cl ZINC001190304091 1038289735 /nfs/dbraw/zinc/28/97/35/1038289735.db2.gz YWVYGIWICMXSLH-UHFFFAOYSA-N -1 3 320.761 3.694 20 0 DHADHM CC(C)(C)c1nc(CC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000588696752 1038327205 /nfs/dbraw/zinc/32/72/05/1038327205.db2.gz IYEWBYBJSCIIOJ-UHFFFAOYSA-N -1 3 324.833 3.981 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccccc1N1CCCC1 ZINC001191242483 1038475055 /nfs/dbraw/zinc/47/50/55/1038475055.db2.gz UECNKRZPRFEYDW-UHFFFAOYSA-N -1 3 316.788 3.898 20 0 DHADHM O=c1cc(CN2CCc3cccc(F)c32)nc(-c2ccccc2)[n-]1 ZINC001191744160 1038541806 /nfs/dbraw/zinc/54/18/06/1038541806.db2.gz ZOCNZOIJJBVVJU-UHFFFAOYSA-N -1 3 321.355 3.551 20 0 DHADHM CCCc1cc(C(=O)Nc2c([O-])cccc2C(C)=O)ccc1F ZINC001191982664 1038571309 /nfs/dbraw/zinc/57/13/09/1038571309.db2.gz HVNMFGULQMTZLA-UHFFFAOYSA-N -1 3 315.344 3.939 20 0 DHADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1cccc(F)c1 ZINC001192101002 1038587798 /nfs/dbraw/zinc/58/77/98/1038587798.db2.gz UGQOJDRNDHOTIG-UHFFFAOYSA-N -1 3 313.332 3.608 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2ccn3ccnc3c2)c([O-])c1 ZINC001192314253 1038624750 /nfs/dbraw/zinc/62/47/50/1038624750.db2.gz MIMUBOUFLJEZQU-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM CSc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)s1 ZINC001192646065 1038690884 /nfs/dbraw/zinc/69/08/84/1038690884.db2.gz BBTYUPWKGXVAJO-UHFFFAOYSA-N -1 3 307.396 3.631 20 0 DHADHM CC(C)P(CCNC(=O)c1cc(F)c([O-])cc1F)C(C)C ZINC001192887362 1038711598 /nfs/dbraw/zinc/71/15/98/1038711598.db2.gz GIDNLLZOXLZEAB-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)o1 ZINC000573098259 1038788266 /nfs/dbraw/zinc/78/82/66/1038788266.db2.gz VODJTLVWPWFSHT-CYBMUJFWSA-N -1 3 319.788 3.838 20 0 DHADHM O=C([N-]c1cccc2ccsc21)c1nnc(-c2ccco2)o1 ZINC001137732457 1039060122 /nfs/dbraw/zinc/06/01/22/1039060122.db2.gz GPSDBSAXHWNBBQ-UHFFFAOYSA-N -1 3 311.322 3.797 20 0 DHADHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1COc2ccccc2C1 ZINC000061242152 1039126591 /nfs/dbraw/zinc/12/65/91/1039126591.db2.gz QVSPKXNHGXFGDC-NJDFMEINSA-N -1 3 301.773 3.716 20 0 DHADHM CCc1cccc(F)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000669472755 1039413527 /nfs/dbraw/zinc/41/35/27/1039413527.db2.gz SCXKLSKWRDTMLQ-AWEZNQCLSA-N -1 3 307.390 3.755 20 0 DHADHM CCC[C@@H](CCCCNCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000669480827 1039496737 /nfs/dbraw/zinc/49/67/37/1039496737.db2.gz JNYXGNVBIHYXRZ-ZDUSSCGKSA-N -1 3 324.490 3.783 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1 ZINC000604605581 1039506478 /nfs/dbraw/zinc/50/64/78/1039506478.db2.gz ICRWIRCGKZPABN-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1cccc2c(CC(=O)[N-]OCc3ccccc3)c[nH]c21 ZINC000171912479 1039672667 /nfs/dbraw/zinc/67/26/67/1039672667.db2.gz VYTMSLJNAHYPKD-UHFFFAOYSA-N -1 3 308.381 3.521 20 0 DHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000605492200 1039707104 /nfs/dbraw/zinc/70/71/04/1039707104.db2.gz HYVZFMDQHSFHIW-UHFFFAOYSA-N -1 3 307.390 3.751 20 0 DHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000594769488 1039906857 /nfs/dbraw/zinc/90/68/57/1039906857.db2.gz NEIAXDPBJGSNKS-MGCOHNPYSA-N -1 3 322.257 3.850 20 0 DHADHM CCc1ccc([C@H](C)CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536952 1039921505 /nfs/dbraw/zinc/92/15/05/1039921505.db2.gz JOHAZAXDSXDYSO-CYBMUJFWSA-N -1 3 315.388 3.904 20 0 DHADHM O=C(NCCCC1CCCCC1)NCc1ccc([O-])c(F)c1 ZINC000606640967 1039940319 /nfs/dbraw/zinc/94/03/19/1039940319.db2.gz ABZCBPFORXKKHA-UHFFFAOYSA-N -1 3 308.397 3.691 20 0 DHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000607627090 1040223623 /nfs/dbraw/zinc/22/36/23/1040223623.db2.gz COENMPIOZYVOMY-UWVGGRQHSA-N -1 3 312.207 3.920 20 0 DHADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@H]1CCCCC1(C)C ZINC000596020295 1040294730 /nfs/dbraw/zinc/29/47/30/1040294730.db2.gz HKUGLZBRKMDHRV-LLVKDONJSA-N -1 3 324.446 3.586 20 0 DHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608004997 1040350495 /nfs/dbraw/zinc/35/04/95/1040350495.db2.gz ZESNRGOCXNMAPE-UHFFFAOYSA-N -1 3 323.389 3.531 20 0 DHADHM CCc1cccc(C(=O)N(CC)Cc2c(F)cccc2F)c1[O-] ZINC000534272013 1040772623 /nfs/dbraw/zinc/77/26/23/1040772623.db2.gz KZDCMBFXAPHYBI-UHFFFAOYSA-N -1 3 319.351 3.895 20 0 DHADHM CSCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000601980028 1040839503 /nfs/dbraw/zinc/83/95/03/1040839503.db2.gz XVLASLDZMFLZLW-UHFFFAOYSA-N -1 3 321.467 3.701 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCCC2 ZINC000457163379 1041035992 /nfs/dbraw/zinc/03/59/92/1041035992.db2.gz KAWQJRUSFTYSFN-GOSISDBHSA-N -1 3 324.424 3.569 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000005121384 181205886 /nfs/dbraw/zinc/20/58/86/181205886.db2.gz QPLBXGOLICXSIC-UHFFFAOYSA-N -1 3 305.374 3.505 20 0 DHADHM CC[C@@](C)(CNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417568181 334987994 /nfs/dbraw/zinc/98/79/94/334987994.db2.gz PNDZPLTZEJSDLQ-ZDUSSCGKSA-N -1 3 308.180 3.723 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417600411 335002909 /nfs/dbraw/zinc/00/29/09/335002909.db2.gz JHZLRXXCUTUICS-KRWDZBQOSA-N -1 3 313.397 3.699 20 0 DHADHM CCOc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417603341 335003666 /nfs/dbraw/zinc/00/36/66/335003666.db2.gz QYECMFVERSSZKR-GOSISDBHSA-N -1 3 313.397 3.781 20 0 DHADHM O=C([O-])C1(CNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000417608317 335007283 /nfs/dbraw/zinc/00/72/83/335007283.db2.gz IRNXKAFREHDUHU-UHFFFAOYSA-N -1 3 323.820 3.616 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1cc(Cl)c(OC)cc1Cl ZINC000417618240 335011927 /nfs/dbraw/zinc/01/19/27/335011927.db2.gz GHZZNZYMEFZJRX-JTQLQIEISA-N -1 3 320.216 3.735 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000417620734 335014537 /nfs/dbraw/zinc/01/45/37/335014537.db2.gz JRVXADCGRJMCDR-JTQLQIEISA-N -1 3 310.444 3.605 20 0 DHADHM CCCc1csc(CN[C@@H]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000417626097 335015790 /nfs/dbraw/zinc/01/57/90/335015790.db2.gz MQUGBXXVSFVSDE-TZMCWYRMSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000016093972 182033531 /nfs/dbraw/zinc/03/35/31/182033531.db2.gz CFNKYDJNDUYDQW-BBBLOLIVSA-N -1 3 307.868 3.505 20 0 DHADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(F)cc(F)c1 ZINC000016100678 182034359 /nfs/dbraw/zinc/03/43/59/182034359.db2.gz CDYWBXDYBIAECN-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC(C)=CCSC[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000417631131 335019211 /nfs/dbraw/zinc/01/92/11/335019211.db2.gz VBBKDWUOTOVZPK-NSHDSACASA-N -1 3 319.879 3.644 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000417635788 335021187 /nfs/dbraw/zinc/02/11/87/335021187.db2.gz WVXFYNVLOAOPDQ-QWHCGFSZSA-N -1 3 324.490 3.954 20 0 DHADHM C[C@H]([C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641379 335025842 /nfs/dbraw/zinc/02/58/42/335025842.db2.gz PQTARXQBYLZSSH-CPFSXVBKSA-N -1 3 320.191 3.721 20 0 DHADHM CC[C@@H]1CCc2nc([N-]C(=O)c3ncc(F)cc3F)sc2C1 ZINC000192195672 335027447 /nfs/dbraw/zinc/02/74/47/335027447.db2.gz UMWGWFGNTUMFKR-MRVPVSSYSA-N -1 3 323.368 3.584 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2ccoc2c1 ZINC000442927917 338439616 /nfs/dbraw/zinc/43/96/16/338439616.db2.gz BXSAWRGRYKAJDH-UHFFFAOYSA-N -1 3 301.729 3.973 20 0 DHADHM Cc1cc(CNCc2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC000417670555 335039126 /nfs/dbraw/zinc/03/91/26/335039126.db2.gz OWBHTOYAIRXSND-UHFFFAOYSA-N -1 3 313.397 3.770 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([O-])c(C)c2)s1 ZINC000272385215 130026142 /nfs/dbraw/zinc/02/61/42/130026142.db2.gz GBPUZQURUIUYMA-LLVKDONJSA-N -1 3 304.415 3.607 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([O-])c(C)c2)s1 ZINC000272523930 130037097 /nfs/dbraw/zinc/03/70/97/130037097.db2.gz NYOPOSNLOSKSBI-LBPRGKRZSA-N -1 3 318.442 3.861 20 0 DHADHM COc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1[O-] ZINC000272616879 130046451 /nfs/dbraw/zinc/04/64/51/130046451.db2.gz PQRZHZAZBLJFHP-AWEZNQCLSA-N -1 3 315.369 3.751 20 0 DHADHM CCC1(CC)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000275345249 130308174 /nfs/dbraw/zinc/30/81/74/130308174.db2.gz XZYHVCHNFDYKKX-UHFFFAOYSA-N -1 3 312.413 3.983 20 0 DHADHM Cc1ccccc1C[C@H](CNCc1ccccc1Cl)C(=O)[O-] ZINC000277541918 130621314 /nfs/dbraw/zinc/62/13/14/130621314.db2.gz ZSTCKKZTIRJKEC-MRXNPFEDSA-N -1 3 317.816 3.682 20 0 DHADHM C[C@@H]1CCc2c(sc3[n-]c(-c4ccc(F)cn4)nc(=O)c23)C1 ZINC000287050928 131261589 /nfs/dbraw/zinc/26/15/89/131261589.db2.gz IQGFTADJKCPCKS-MRVPVSSYSA-N -1 3 315.373 3.723 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cnc(-c2ccccc2F)s1 ZINC000340259416 131293116 /nfs/dbraw/zinc/29/31/16/131293116.db2.gz NQIHDNZOVSUMBS-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM CC(C)CON=C([O-])Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000288942765 131346616 /nfs/dbraw/zinc/34/66/16/131346616.db2.gz WLTDXJFNVNKHQN-JTQLQIEISA-N -1 3 320.311 3.725 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000288942765 131346618 /nfs/dbraw/zinc/34/66/18/131346618.db2.gz WLTDXJFNVNKHQN-JTQLQIEISA-N -1 3 320.311 3.725 20 0 DHADHM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccnc1 ZINC000340312233 131373638 /nfs/dbraw/zinc/37/36/38/131373638.db2.gz KIUMJHAFNFGYRO-SNVBAGLBSA-N -1 3 324.302 3.938 20 0 DHADHM CCn1nc(C)c(NCc2cc([O-])cc(C(F)(F)F)c2)c1C ZINC000289554938 131395356 /nfs/dbraw/zinc/39/53/56/131395356.db2.gz QKWASNVFDQEGAC-UHFFFAOYSA-N -1 3 313.323 3.856 20 0 DHADHM CCOc1cc(CN(C)Cc2nccs2)cc(Cl)c1[O-] ZINC000297865974 132037762 /nfs/dbraw/zinc/03/77/62/132037762.db2.gz PMNOOXQZTHPEIK-UHFFFAOYSA-N -1 3 312.822 3.533 20 0 DHADHM Fc1cccc(F)c1-c1n[n-]cc1-c1nc(-c2ccco2)no1 ZINC000340661221 132121788 /nfs/dbraw/zinc/12/17/88/132121788.db2.gz JGKFFIOJXHAMFV-UHFFFAOYSA-N -1 3 314.251 3.665 20 0 DHADHM CCC(CC)(NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000340678889 132145114 /nfs/dbraw/zinc/14/51/14/132145114.db2.gz MJPOOIDKMRTXIW-UHFFFAOYSA-N -1 3 322.405 3.682 20 0 DHADHM CCc1cc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)no1 ZINC000606886616 435343123 /nfs/dbraw/zinc/34/31/23/435343123.db2.gz NEWOVPHYUUKOMK-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM CC(=O)c1csc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1 ZINC000617096070 435367313 /nfs/dbraw/zinc/36/73/13/435367313.db2.gz FIFXFKSHWRYGTM-UHFFFAOYSA-N -1 3 323.443 3.643 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ncco3)cc2C)c1 ZINC000570761994 332812278 /nfs/dbraw/zinc/81/22/78/332812278.db2.gz ZGDKMDGLOZFHKC-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1noc2nc(C)cc(C(=O)[N-]c3c(F)cc(F)cc3F)c12 ZINC000175302622 332886271 /nfs/dbraw/zinc/88/62/71/332886271.db2.gz ADSLFGFBXFYWJP-UHFFFAOYSA-N -1 3 321.258 3.509 20 0 DHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000175431401 332890252 /nfs/dbraw/zinc/89/02/52/332890252.db2.gz WHVDRISXEJIVTH-IAQYHMDHSA-N -1 3 315.369 3.613 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cncs1 ZINC000530875235 331632023 /nfs/dbraw/zinc/63/20/23/331632023.db2.gz VAUPZWXPCNISRT-UHFFFAOYSA-N -1 3 310.378 3.692 20 0 DHADHM O=c1cc(CSc2c(F)cc(F)cc2F)nc(C2CC2)[n-]1 ZINC000556840264 331739987 /nfs/dbraw/zinc/73/99/87/331739987.db2.gz IAIZOXOPYWLUBC-UHFFFAOYSA-N -1 3 312.316 3.769 20 0 DHADHM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccccc2[O-])s1 ZINC000255587233 331775748 /nfs/dbraw/zinc/77/57/48/331775748.db2.gz DFXXFJKNTOPMNB-HJWRWDBZSA-N -1 3 302.399 3.798 20 0 DHADHM CC1CCC2(CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)CC1 ZINC000363412535 331900508 /nfs/dbraw/zinc/90/05/08/331900508.db2.gz ZWOHJYDKXYUMLP-UHFFFAOYSA-N -1 3 324.424 3.571 20 0 DHADHM CCCC[C@H](C)N(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000558603405 331927280 /nfs/dbraw/zinc/92/72/80/331927280.db2.gz TVKYUSWGOWDDHB-ZDUSSCGKSA-N -1 3 314.433 3.822 20 0 DHADHM CCC(CC)(CNC(=O)c1cc([O-])ccc1Cl)SC ZINC000232941819 331937704 /nfs/dbraw/zinc/93/77/04/331937704.db2.gz PQJUAFZNDZPPGK-UHFFFAOYSA-N -1 3 301.839 3.697 20 0 DHADHM Cc1ncccc1NC(=O)c1c[n-]nc1-c1cccc(Cl)c1 ZINC000087429927 332031783 /nfs/dbraw/zinc/03/17/83/332031783.db2.gz HRVUKTHWHKLCGH-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM O=C(N[C@H](c1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000518445257 332044049 /nfs/dbraw/zinc/04/40/49/332044049.db2.gz FVJSQQMGACANLY-MRXNPFEDSA-N -1 3 301.773 3.927 20 0 DHADHM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426779899 332152199 /nfs/dbraw/zinc/15/21/99/332152199.db2.gz MKSLSFXOFITCRF-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1cccc(F)c1 ZINC000426798421 332154803 /nfs/dbraw/zinc/15/48/03/332154803.db2.gz ITBHXFYGCIVRAN-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)c1 ZINC000426797366 332154844 /nfs/dbraw/zinc/15/48/44/332154844.db2.gz BAMWMTSUDQPYHN-GOSISDBHSA-N -1 3 313.397 3.563 20 0 DHADHM CCc1ccc([C@H](NCc2ccc3ncccc3c2)C(=O)[O-])cc1 ZINC000426803320 332155390 /nfs/dbraw/zinc/15/53/90/332155390.db2.gz LTEABUVIAVTTNQ-IBGZPJMESA-N -1 3 320.392 3.713 20 0 DHADHM CCC[C@H](C)C[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426816788 332157239 /nfs/dbraw/zinc/15/72/39/332157239.db2.gz QMWFRXVEXROOHZ-IINYFYTJSA-N -1 3 301.789 3.848 20 0 DHADHM COc1ccccc1[C@@H](NCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000426816909 332157274 /nfs/dbraw/zinc/15/72/74/332157274.db2.gz MZZYZRFSGDEQKF-GOSISDBHSA-N -1 3 313.397 3.734 20 0 DHADHM CCc1ccc([C@@H](NCc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000426826187 332158202 /nfs/dbraw/zinc/15/82/02/332158202.db2.gz NYBDJKOBUZMRCZ-LJQANCHMSA-N -1 3 320.392 3.713 20 0 DHADHM CCc1ccc([C@H](NCc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000426826186 332158318 /nfs/dbraw/zinc/15/83/18/332158318.db2.gz NYBDJKOBUZMRCZ-IBGZPJMESA-N -1 3 320.392 3.713 20 0 DHADHM O=C(c1ccccc1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000092763856 332229634 /nfs/dbraw/zinc/22/96/34/332229634.db2.gz CLJMORADCLMKTQ-UHFFFAOYSA-N -1 3 323.348 3.533 20 0 DHADHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc([O-])c1F ZINC000536463580 332249739 /nfs/dbraw/zinc/24/97/39/332249739.db2.gz QMNYBHXKPFRJLQ-UHFFFAOYSA-N -1 3 310.328 3.503 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C2CCC1CC2 ZINC000531089817 332255784 /nfs/dbraw/zinc/25/57/84/332255784.db2.gz GTAYGRWRXVTJRB-UHFFFAOYSA-N -1 3 309.365 3.952 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000559516998 332268135 /nfs/dbraw/zinc/26/81/35/332268135.db2.gz FXTXNLJFESZCMC-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000560086701 332310009 /nfs/dbraw/zinc/31/00/09/332310009.db2.gz UKMPKDYUJXFLOB-CHWSQXEVSA-N -1 3 323.396 3.968 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n1C ZINC000531112566 332310482 /nfs/dbraw/zinc/31/04/82/332310482.db2.gz PDONLSYVIIUOIR-UHFFFAOYSA-N -1 3 320.392 3.882 20 0 DHADHM Cc1c([N-]C(=O)COC2CCCC2)onc1C1CCCCC1 ZINC000574168067 332327367 /nfs/dbraw/zinc/32/73/67/332327367.db2.gz ALAIDOHNMCDRKU-UHFFFAOYSA-N -1 3 306.406 3.928 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000560593747 332366405 /nfs/dbraw/zinc/36/64/05/332366405.db2.gz PMVMGOFLEYZAKK-UHFFFAOYSA-N -1 3 319.744 3.589 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000560598923 332367680 /nfs/dbraw/zinc/36/76/80/332367680.db2.gz ZBAUWKIEMZBTIY-YUMQZZPRSA-N -1 3 307.699 3.963 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000560610948 332369565 /nfs/dbraw/zinc/36/95/65/332369565.db2.gz UXKCMQWVJRKMPS-QLFBSQMISA-N -1 3 305.393 3.754 20 0 DHADHM Cc1nn(C)c2sc(C(=O)Nc3c([O-])cccc3Cl)cc12 ZINC000560822282 332388658 /nfs/dbraw/zinc/38/86/58/332388658.db2.gz IOMCWUHTTJJSDO-UHFFFAOYSA-N -1 3 321.789 3.555 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H](C)Cc1ccsc1 ZINC000574578208 332394725 /nfs/dbraw/zinc/39/47/25/332394725.db2.gz NELHLZJGRCKROF-LLVKDONJSA-N -1 3 307.415 3.801 20 0 DHADHM O=C(CCC(=O)c1ccccc1)Nc1c([O-])cccc1Cl ZINC000583431898 332404320 /nfs/dbraw/zinc/40/43/20/332404320.db2.gz MUKOBGSLBJLOGC-UHFFFAOYSA-N -1 3 303.745 3.647 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000150943402 332460497 /nfs/dbraw/zinc/46/04/97/332460497.db2.gz MQELFDBOBZNFSG-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)s1 ZINC000561563710 332463864 /nfs/dbraw/zinc/46/38/64/332463864.db2.gz AQVDQNZONGNTSA-UHFFFAOYSA-N -1 3 319.467 3.606 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cnc(C)c(Cl)c1Cl ZINC000127012029 332468986 /nfs/dbraw/zinc/46/89/86/332468986.db2.gz ZLTSVIPHSAOWDQ-UHFFFAOYSA-N -1 3 314.172 3.808 20 0 DHADHM O=C(C[C@@H]1C=CCCC1)Nc1cc(Br)ccc1[O-] ZINC000427665071 332481333 /nfs/dbraw/zinc/48/13/33/332481333.db2.gz LFFOEQUHLXOIHZ-SNVBAGLBSA-N -1 3 310.191 3.840 20 0 DHADHM CC(=O)c1cccc(NC(=O)C/C=C\c2ccc(F)cc2)c1[O-] ZINC000561962382 332522639 /nfs/dbraw/zinc/52/26/39/332522639.db2.gz WTUQJKVSUISFQU-RQOWECAXSA-N -1 3 313.328 3.776 20 0 DHADHM COc1cc(OC)c(NC(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000317894300 332543149 /nfs/dbraw/zinc/54/31/49/332543149.db2.gz FYPIBSFCPFXLAL-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cn1cc(CCC(=O)Nc2cc(F)ccc2[O-])c2ccccc21 ZINC000151341098 332572463 /nfs/dbraw/zinc/57/24/63/332572463.db2.gz WQDNUIHLKJJCIB-UHFFFAOYSA-N -1 3 312.344 3.594 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2c(c1)CCCC2 ZINC000562681276 332615811 /nfs/dbraw/zinc/61/58/11/332615811.db2.gz KRMOGPNWLXSYHL-CYBMUJFWSA-N -1 3 323.440 3.789 20 0 DHADHM COc1cc(C)cc(C(=O)N2CCc3ccc(Cl)cc32)c1[O-] ZINC000171614988 332647849 /nfs/dbraw/zinc/64/78/49/332647849.db2.gz DPSSXXFRRBTAII-UHFFFAOYSA-N -1 3 317.772 3.566 20 0 DHADHM O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1csc(=O)[n-]1 ZINC000562970834 332992802 /nfs/dbraw/zinc/99/28/02/332992802.db2.gz SCWVYUXINLLSDM-CMPLNLGQSA-N -1 3 322.817 3.568 20 0 DHADHM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1csc(=O)[n-]1 ZINC000562970837 332992916 /nfs/dbraw/zinc/99/29/16/332992916.db2.gz SCWVYUXINLLSDM-ZYHUDNBSSA-N -1 3 322.817 3.568 20 0 DHADHM O=C(CCc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000531155531 333035307 /nfs/dbraw/zinc/03/53/07/333035307.db2.gz XBPWUOBWURJHIQ-UHFFFAOYSA-N -1 3 320.186 3.726 20 0 DHADHM CCC1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000188174247 333038467 /nfs/dbraw/zinc/03/84/67/333038467.db2.gz LNNXEDDZEGMFND-UHFFFAOYSA-N -1 3 323.392 3.543 20 0 DHADHM CCC[C@@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000173652031 333076489 /nfs/dbraw/zinc/07/64/89/333076489.db2.gz LSAQJWXTQQUOET-IBGZPJMESA-N -1 3 312.413 3.571 20 0 DHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000181823388 333108273 /nfs/dbraw/zinc/10/82/73/333108273.db2.gz ODQJCKJOMICKCE-LLVKDONJSA-N -1 3 321.779 3.947 20 0 DHADHM CCC(C)(C)[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000516651197 333110221 /nfs/dbraw/zinc/11/02/21/333110221.db2.gz UFYMIGWFTVISNU-LBPRGKRZSA-N -1 3 304.217 3.972 20 0 DHADHM C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000181832252 333113960 /nfs/dbraw/zinc/11/39/60/333113960.db2.gz VJNXFWTVWWYQBE-NSHDSACASA-N -1 3 301.773 3.566 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1ccc(F)cc1 ZINC000181842589 333122596 /nfs/dbraw/zinc/12/25/96/333122596.db2.gz CQVMSTAKMSLRFR-UHFFFAOYSA-N -1 3 307.752 3.780 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)cc2F)c1[O-] ZINC000216069443 333147871 /nfs/dbraw/zinc/14/78/71/333147871.db2.gz WMZQPNSQTBFXEW-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000179543566 333152537 /nfs/dbraw/zinc/15/25/37/333152537.db2.gz ICMDSRWONCVCFJ-UHFFFAOYSA-N -1 3 313.401 3.782 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2cc(Cl)ccc21 ZINC000582054396 333190959 /nfs/dbraw/zinc/19/09/59/333190959.db2.gz SKBAHYSTOQDNKN-UHFFFAOYSA-N -1 3 322.191 3.831 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(F)ccc2F)no1 ZINC000184618657 333199208 /nfs/dbraw/zinc/19/92/08/333199208.db2.gz HKXJAFDQNRSBOO-UHFFFAOYSA-N -1 3 310.300 3.520 20 0 DHADHM Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000318898433 333221709 /nfs/dbraw/zinc/22/17/09/333221709.db2.gz PLPOVKMRWSWNPB-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM C[C@@H](c1ccccc1F)N(C)CCc1ccccc1C(=O)[O-] ZINC000388343819 333275910 /nfs/dbraw/zinc/27/59/10/333275910.db2.gz HPKIIKNDFHQSID-ZDUSSCGKSA-N -1 3 301.361 3.759 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000497953317 333313914 /nfs/dbraw/zinc/31/39/14/333313914.db2.gz VCZAILRZGWZWSW-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM CCc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1[O-] ZINC000531193815 333330081 /nfs/dbraw/zinc/33/00/81/333330081.db2.gz VXYDMQVRIMFBIM-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000531195833 333330188 /nfs/dbraw/zinc/33/01/88/333330188.db2.gz JAMDMJRBMPSZBQ-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000531371784 333346633 /nfs/dbraw/zinc/34/66/33/333346633.db2.gz LPMQTBLDRCBCLK-UHFFFAOYSA-N -1 3 317.360 3.981 20 0 DHADHM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000531374027 333346883 /nfs/dbraw/zinc/34/68/83/333346883.db2.gz XSCGGPZMENYSKV-LLVKDONJSA-N -1 3 305.324 3.878 20 0 DHADHM O=C(NCc1ccsc1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188251201 333362177 /nfs/dbraw/zinc/36/21/77/333362177.db2.gz UBZLRQMWYNNOBW-UHFFFAOYSA-N -1 3 323.830 3.783 20 0 DHADHM COCc1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185102224 333368706 /nfs/dbraw/zinc/36/87/06/333368706.db2.gz KLXBASNMHJHSKZ-UHFFFAOYSA-N -1 3 311.381 3.670 20 0 DHADHM Cc1oc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000521414077 333374777 /nfs/dbraw/zinc/37/47/77/333374777.db2.gz PSAXJTCUFJHWIT-RISCZKNCSA-N -1 3 317.360 3.803 20 0 DHADHM O=C(Nc1ccc(F)c(F)c1)c1cn[n-]c1-c1ccsc1 ZINC000186993406 333383103 /nfs/dbraw/zinc/38/31/03/333383103.db2.gz YXCLLGCNLOBHQP-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM O=C(Nc1ccc(F)c(F)c1)c1c[n-]nc1-c1ccsc1 ZINC000186993406 333383105 /nfs/dbraw/zinc/38/31/05/333383105.db2.gz YXCLLGCNLOBHQP-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1F ZINC000187008862 333383583 /nfs/dbraw/zinc/38/35/83/333383583.db2.gz QJQKFTONEXZYRO-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1F ZINC000187008862 333383584 /nfs/dbraw/zinc/38/35/84/333383584.db2.gz QJQKFTONEXZYRO-UHFFFAOYSA-N -1 3 301.346 3.838 20 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KKFASOJNPQZCDD-UHFFFAOYSA-N -1 3 307.821 3.673 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[O-] ZINC000436868863 334012950 /nfs/dbraw/zinc/01/29/50/334012950.db2.gz KVUTXBZDELGZHE-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM Cc1cn(-c2ccccc2)nc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436872667 334013963 /nfs/dbraw/zinc/01/39/63/334013963.db2.gz UVTOTOLRJFVFQD-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM COc1cc(C)cc(-c2nc(CC3CCCCC3)no2)c1[O-] ZINC000436932360 334017902 /nfs/dbraw/zinc/01/79/02/334017902.db2.gz NKWOTVAKGKBGJL-UHFFFAOYSA-N -1 3 302.374 3.882 20 0 DHADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000414643477 334052567 /nfs/dbraw/zinc/05/25/67/334052567.db2.gz XIKSIVWTKRCHPF-CYBMUJFWSA-N -1 3 315.335 3.795 20 0 DHADHM CCc1ccc(-c2ccc(CN(C)C[C@@H](C)C(=O)[O-])o2)cc1 ZINC000414654881 334055720 /nfs/dbraw/zinc/05/57/20/334055720.db2.gz JWSQKCGYCGMBOA-CYBMUJFWSA-N -1 3 301.386 3.662 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1CCC(C(F)(F)F)CC1 ZINC000278320463 334094854 /nfs/dbraw/zinc/09/48/54/334094854.db2.gz DDCUMBQOBXDJFR-UHFFFAOYSA-N -1 3 319.298 3.516 20 0 DHADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000123486434 334112048 /nfs/dbraw/zinc/11/20/48/334112048.db2.gz VFJOJNVIOZYYRU-KRWDZBQOSA-N -1 3 312.413 3.797 20 0 DHADHM CCc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c(C)o1 ZINC000343616494 335181584 /nfs/dbraw/zinc/18/15/84/335181584.db2.gz RUFVRVJSFHYTPZ-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000528667534 334135059 /nfs/dbraw/zinc/13/50/59/334135059.db2.gz JOPFMAGECCBPBB-QMTHXVAHSA-N -1 3 324.218 3.559 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000110482639 334275334 /nfs/dbraw/zinc/27/53/34/334275334.db2.gz DCPOHTUKXDJLKX-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)ccc1F ZINC000298751736 334251090 /nfs/dbraw/zinc/25/10/90/334251090.db2.gz CIVYFCHKTHRRTR-SNVBAGLBSA-N -1 3 317.389 3.695 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000048447719 334290279 /nfs/dbraw/zinc/29/02/79/334290279.db2.gz YJYLYYCULHYFCV-NEPJUHHUSA-N -1 3 301.477 3.631 20 0 DHADHM COc1cc(C(=O)NCC2CCC(C(C)C)CC2)ccc1[O-] ZINC000443059323 338442494 /nfs/dbraw/zinc/44/24/94/338442494.db2.gz MKQVTNFEUMXOEI-UHFFFAOYSA-N -1 3 305.418 3.593 20 0 DHADHM COc1cc(C(=O)N2CCCC[C@@H]2CCC(C)C)ccc1[O-] ZINC000443066077 338442769 /nfs/dbraw/zinc/44/27/69/338442769.db2.gz DIQRCXPSIJVSSB-OAHLLOKOSA-N -1 3 305.418 3.832 20 0 DHADHM [O-]c1ccc(-c2noc(-c3sccc3Br)n2)cc1 ZINC000111531363 334337584 /nfs/dbraw/zinc/33/75/84/334337584.db2.gz APDIXNDWORQWIH-UHFFFAOYSA-N -1 3 323.171 3.933 20 0 DHADHM CCc1cccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000532017489 334373067 /nfs/dbraw/zinc/37/30/67/334373067.db2.gz XFZXTPKPCHYVAC-HNNXBMFYSA-N -1 3 317.429 3.566 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000341355460 334440188 /nfs/dbraw/zinc/44/01/88/334440188.db2.gz LBJNKDZOTCRZQN-HOTGVXAUSA-N -1 3 304.349 3.683 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000341355475 334440306 /nfs/dbraw/zinc/44/03/06/334440306.db2.gz LBJNKDZOTCRZQN-JKSUJKDBSA-N -1 3 304.349 3.683 20 0 DHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000443410000 338450904 /nfs/dbraw/zinc/45/09/04/338450904.db2.gz YTLIAERLQJAQSM-UHFFFAOYSA-N -1 3 317.819 3.601 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnc(OC2CCC2)c1 ZINC000342236408 334523468 /nfs/dbraw/zinc/52/34/68/334523468.db2.gz QNQGVLALMKSNMR-UHFFFAOYSA-N -1 3 318.760 3.624 20 0 DHADHM CSc1cccc(C)c1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000415461580 334613078 /nfs/dbraw/zinc/61/30/78/334613078.db2.gz CVIQCNSWKQKKNU-UHFFFAOYSA-N -1 3 304.440 3.914 20 0 DHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000416432872 334667731 /nfs/dbraw/zinc/66/77/31/334667731.db2.gz MHASRSDXXWWXAF-SNVBAGLBSA-N -1 3 323.792 3.505 20 0 DHADHM Cc1ccc([O-])c(CNc2ccc(F)c(Br)c2)n1 ZINC000164828680 334670466 /nfs/dbraw/zinc/67/04/66/334670466.db2.gz 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3 307.340 3.536 20 0 DHADHM CCN(Cc1cccc(NCc2cc([O-])cc(F)c2)c1)C(C)=O ZINC000349604541 335684119 /nfs/dbraw/zinc/68/41/19/335684119.db2.gz ZQUZQCKNMXJGIP-UHFFFAOYSA-N -1 3 316.376 3.512 20 0 DHADHM CCN(C(=O)c1cc(C)cc(OC)c1[O-])c1ccc(F)cc1 ZINC000093920320 335689139 /nfs/dbraw/zinc/68/91/39/335689139.db2.gz MPBQOAFMOJNYLT-UHFFFAOYSA-N -1 3 303.333 3.515 20 0 DHADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1csc(=O)[n-]1 ZINC000349854849 335705953 /nfs/dbraw/zinc/70/59/53/335705953.db2.gz WJMODEUVDWNEGW-CYBMUJFWSA-N -1 3 324.833 3.971 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)o1 ZINC000350627629 335767482 /nfs/dbraw/zinc/76/74/82/335767482.db2.gz RQKXEIFYHBHBSZ-MRXNPFEDSA-N -1 3 319.426 3.798 20 0 DHADHM CCC1(c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)CCCC1 ZINC000445798244 338509688 /nfs/dbraw/zinc/50/96/88/338509688.db2.gz NZSQUTJMGPZXBA-UHFFFAOYSA-N -1 3 318.373 3.681 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)cs1)c1ncc(F)cc1F ZINC000192056154 336017180 /nfs/dbraw/zinc/01/71/80/336017180.db2.gz HQHJCEZQUMWGON-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cc(Cl)ccc1Cl ZINC000351661424 336055878 /nfs/dbraw/zinc/05/58/78/336055878.db2.gz KZTPCIZSMUBUJI-MRVPVSSYSA-N -1 3 320.197 3.626 20 0 DHADHM O=C(N[C@H]1CC2CCC1CC2)c1cc([O-])ccc1C(F)(F)F ZINC000351695516 336059027 /nfs/dbraw/zinc/05/90/27/336059027.db2.gz UKPJCBQBOMOVJA-FDZGAKKTSA-N -1 3 313.319 3.720 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000351778141 336068518 /nfs/dbraw/zinc/06/85/18/336068518.db2.gz HIOHJEVLEIZWSM-HUUCEWRRSA-N -1 3 309.837 3.825 20 0 DHADHM COc1ccc2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2c1 ZINC000351776055 336068654 /nfs/dbraw/zinc/06/86/54/336068654.db2.gz XUGYKHJTSAHDGZ-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC(C)C(=O)Nc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351824692 336070538 /nfs/dbraw/zinc/07/05/38/336070538.db2.gz SCCREKFHJGOODO-UHFFFAOYSA-N -1 3 320.339 3.877 20 0 DHADHM C[C@@H]1C[C@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)CCO1 ZINC000331409743 336135170 /nfs/dbraw/zinc/13/51/70/336135170.db2.gz UWIOTKMYOYFARA-RNFRBKRXSA-N -1 3 318.320 3.698 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)c2c([O-])cccc21 ZINC000332213219 336163124 /nfs/dbraw/zinc/16/31/24/336163124.db2.gz JKRRWZVTHQYRBK-AGIUHOORSA-N -1 3 316.401 3.574 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1[O-] ZINC000332372434 336170213 /nfs/dbraw/zinc/17/02/13/336170213.db2.gz BOVFNXVHSVSNNA-UHFFFAOYSA-N -1 3 323.392 3.615 20 0 DHADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@@H](C)c1cccnc1 ZINC000332465383 336172262 /nfs/dbraw/zinc/17/22/62/336172262.db2.gz IQUPZBCCXFWBDF-AWEZNQCLSA-N -1 3 324.424 3.889 20 0 DHADHM O=c1cc(C=Cc2c[nH]nc2-c2ccccc2F)nc(C2CC2)[n-]1 ZINC000352004531 336187782 /nfs/dbraw/zinc/18/77/82/336187782.db2.gz AIGSIVLELJZJTE-FPLPWBNLSA-N -1 3 322.343 3.759 20 0 DHADHM O=c1cc(C=Cc2c[nH]c(-c3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000352005376 336188141 /nfs/dbraw/zinc/18/81/41/336188141.db2.gz DGJUVBFZEUSUTE-HJWRWDBZSA-N -1 3 304.353 3.620 20 0 DHADHM O=c1cc(C=Cc2cn3cc(Cl)ccc3n2)nc(C2CC2)[n-]1 ZINC000352006375 336188295 /nfs/dbraw/zinc/18/82/95/336188295.db2.gz HINSLBPAPNIHKB-SNAWJCMRSA-N -1 3 312.760 3.531 20 0 DHADHM [O-]c1cc(F)cc(CN2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000352011595 336188948 /nfs/dbraw/zinc/18/89/48/336188948.db2.gz SUUSRJDVZCLMAL-UHFFFAOYSA-N -1 3 314.335 3.710 20 0 DHADHM CCOc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OC ZINC000352021611 336189763 /nfs/dbraw/zinc/18/97/63/336189763.db2.gz QALVUCXYAFXVML-YWEYNIOJSA-N -1 3 312.369 3.637 20 0 DHADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000192617703 336196028 /nfs/dbraw/zinc/19/60/28/336196028.db2.gz VBVUTHSMMMIZTJ-NSHDSACASA-N -1 3 311.337 3.677 20 0 DHADHM CN(CC1CCCC1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000352146716 336196671 /nfs/dbraw/zinc/19/66/71/336196671.db2.gz GLJWBGRSVCGFAS-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM Cc1noc(C)c1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000333045471 336197325 /nfs/dbraw/zinc/19/73/25/336197325.db2.gz BGCUVWAZOXNQFQ-UHFFFAOYSA-N -1 3 311.341 3.593 20 0 DHADHM Cc1noc(C)c1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000333154361 336198693 /nfs/dbraw/zinc/19/86/93/336198693.db2.gz IIYTUHUCQZNXRR-UHFFFAOYSA-N -1 3 311.341 3.593 20 0 DHADHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000352470497 336220818 /nfs/dbraw/zinc/22/08/18/336220818.db2.gz KMZJKTLLSUTNGB-ZDUSSCGKSA-N -1 3 312.413 3.569 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2c[nH]c3ccc(F)cc23)c1F ZINC000352511234 336222279 /nfs/dbraw/zinc/22/22/79/336222279.db2.gz KKCLKDCZBGURMH-UHFFFAOYSA-N -1 3 320.314 3.623 20 0 DHADHM CCN(CCc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000352606677 336226596 /nfs/dbraw/zinc/22/65/96/336226596.db2.gz IQOAZSHMODFQJZ-UHFFFAOYSA-N -1 3 309.818 3.812 20 0 DHADHM CCC(CC)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000532345899 336243479 /nfs/dbraw/zinc/24/34/79/336243479.db2.gz LQHJRIZBPHNJNZ-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM [O-]c1cc(CNCc2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000352821074 336256374 /nfs/dbraw/zinc/25/63/74/336256374.db2.gz FPWHEVSLWWYJBE-UHFFFAOYSA-N -1 3 317.257 3.979 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC000192781276 336261716 /nfs/dbraw/zinc/26/17/16/336261716.db2.gz YZDLXRRLTHOXLZ-QWRGUYRKSA-N -1 3 320.462 3.656 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC000192781261 336261720 /nfs/dbraw/zinc/26/17/20/336261720.db2.gz YZDLXRRLTHOXLZ-MNOVXSKESA-N -1 3 320.462 3.656 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1[nH]c2ccccc2c1Cl ZINC000532678565 336266241 /nfs/dbraw/zinc/26/62/41/336266241.db2.gz QVVZCXIZPYRKRZ-UHFFFAOYSA-N -1 3 318.735 3.596 20 0 DHADHM [O-]c1cc(CNc2ccc3n[nH]cc3c2)cc(C(F)(F)F)c1 ZINC000352829304 336267384 /nfs/dbraw/zinc/26/73/84/336267384.db2.gz ALUCWCHHVVRREI-UHFFFAOYSA-N -1 3 307.275 3.899 20 0 DHADHM Cn1c(C(=O)Nc2ccc(Cl)cc2[O-])cc2ccccc21 ZINC000532837114 336272726 /nfs/dbraw/zinc/27/27/26/336272726.db2.gz LIJABRVMYGFEFY-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c([O-])c1 ZINC000216587484 336273621 /nfs/dbraw/zinc/27/36/21/336273621.db2.gz MCQHZDJQWCRTBN-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM [O-]c1ccc(CNc2ncnc3sc4c(c32)CCC4)cc1F ZINC000301384250 336303737 /nfs/dbraw/zinc/30/37/37/336303737.db2.gz URLOIHMVOJSHAU-UHFFFAOYSA-N -1 3 315.373 3.637 20 0 DHADHM O=C(CSc1ccc(F)c(Cl)c1)Nc1ccccc1[O-] ZINC000514100158 336332098 /nfs/dbraw/zinc/33/20/98/336332098.db2.gz QNMYOPRFBYTVRW-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM Cc1ccc(-c2noc([N-]Cc3nccn3CC(C)C)n2)cc1 ZINC000302031803 336344264 /nfs/dbraw/zinc/34/42/64/336344264.db2.gz IOTLYXFGGBYJRR-UHFFFAOYSA-N -1 3 311.389 3.510 20 0 DHADHM CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1F ZINC000563906875 336375102 /nfs/dbraw/zinc/37/51/02/336375102.db2.gz UILXYEQZFXGWEO-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)c(C)c(OC)c1 ZINC000353004940 336381769 /nfs/dbraw/zinc/38/17/69/336381769.db2.gz QEYDWTNOSLUDBQ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC2CCCC2)CC1 ZINC000514610563 336386146 /nfs/dbraw/zinc/38/61/46/336386146.db2.gz XVVSHCHHZPSHFB-UHFFFAOYSA-N -1 3 323.458 3.678 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2CCCc3ccc(F)cc32)c1F ZINC000353256503 336408490 /nfs/dbraw/zinc/40/84/90/336408490.db2.gz FZYQDBNFCXBMNX-OAHLLOKOSA-N -1 3 307.315 3.977 20 0 DHADHM O=C(NCC1(C(F)(F)F)CCC1)c1cc([O-])ccc1Cl ZINC000354370715 336468488 /nfs/dbraw/zinc/46/84/88/336468488.db2.gz INXSPTOUCXRSNU-UHFFFAOYSA-N -1 3 307.699 3.508 20 0 DHADHM Cc1ccoc1C(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000356946345 336566971 /nfs/dbraw/zinc/56/69/71/336566971.db2.gz CWXDJGRJBZSRHS-UHFFFAOYSA-N -1 3 324.361 3.877 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC1CCC(C)CC1 ZINC000357710481 336595267 /nfs/dbraw/zinc/59/52/67/336595267.db2.gz VQGQKGSFMYQLDH-UHFFFAOYSA-N -1 3 322.405 3.569 20 0 DHADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)c([O-])c1 ZINC000369732722 336870793 /nfs/dbraw/zinc/87/07/93/336870793.db2.gz QLZVVIPNITZRHB-GFCCVEGCSA-N -1 3 320.439 3.548 20 0 DHADHM O=C([O-])c1ccccc1C1CCN(Cc2cccc(F)c2)CC1 ZINC000372647467 336936657 /nfs/dbraw/zinc/93/66/57/336936657.db2.gz IECGRMUZAVIXIW-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000374215155 336983891 /nfs/dbraw/zinc/98/38/91/336983891.db2.gz AYRULXARJKHXLQ-HIFRSBDPSA-N -1 3 311.381 3.506 20 0 DHADHM [O-]c1cc(F)cc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000375079967 337002894 /nfs/dbraw/zinc/00/28/94/337002894.db2.gz SHIXCFRDDCYMJR-UHFFFAOYSA-N -1 3 308.356 3.883 20 0 DHADHM O=C(N[C@H]1CCCOc2ccccc21)c1cc([O-])ccc1Cl ZINC000375427471 337011125 /nfs/dbraw/zinc/01/11/25/337011125.db2.gz QEYMPQBVMDUFJM-HNNXBMFYSA-N -1 3 317.772 3.689 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC=CC[C@H]3C)c2)n1 ZINC000375649824 337015615 /nfs/dbraw/zinc/01/56/15/337015615.db2.gz AWMIJDAJRZVPGU-MLGOLLRUSA-N -1 3 323.396 3.698 20 0 DHADHM CC[C@@H](C)CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000375685424 337016478 /nfs/dbraw/zinc/01/64/78/337016478.db2.gz QDKFGCDSLPRZFN-GFCCVEGCSA-N -1 3 313.401 3.510 20 0 DHADHM O=c1cc(CN2CCC[C@H]2C2CC2)c2cc(Cl)c([O-])cc2o1 ZINC000375699761 337017050 /nfs/dbraw/zinc/01/70/50/337017050.db2.gz XCWHLEIRFJDOPA-AWEZNQCLSA-N -1 3 319.788 3.526 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCCC[C@H]1c1ccccc1 ZINC000375900851 337022677 /nfs/dbraw/zinc/02/26/77/337022677.db2.gz IGTKCRXSHQXCPL-BBVFFXRHSA-N -1 3 308.381 3.554 20 0 DHADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000376493491 337034962 /nfs/dbraw/zinc/03/49/62/337034962.db2.gz AEARURAYZCHNPM-ZDUSSCGKSA-N -1 3 320.414 3.762 20 0 DHADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2csc(=O)[n-]2)cc1 ZINC000376715721 337039920 /nfs/dbraw/zinc/03/99/20/337039920.db2.gz NRXALXWAYXWHPU-DZGCQCFKSA-N -1 3 316.426 3.565 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1n[n-]nc1-c1ccccc1 ZINC000194177910 337082302 /nfs/dbraw/zinc/08/23/02/337082302.db2.gz UXUHABHBLGCORM-UHFFFAOYSA-N -1 3 314.295 3.662 20 0 DHADHM O=C(CS[C@H]1CCc2ccccc2C1)Nc1ccccc1[O-] ZINC000582498462 337102622 /nfs/dbraw/zinc/10/26/22/337102622.db2.gz QNRZDPUKJABQPK-HNNXBMFYSA-N -1 3 313.422 3.621 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000394404017 337115825 /nfs/dbraw/zinc/11/58/25/337115825.db2.gz KOZVIHVVDUTZJG-JTQLQIEISA-N -1 3 307.337 3.609 20 0 DHADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000582671876 337119200 /nfs/dbraw/zinc/11/92/00/337119200.db2.gz XIUHJFNJOKVJQI-IBGZPJMESA-N -1 3 320.392 3.660 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CC2CCC1CC2 ZINC000394547582 337121543 /nfs/dbraw/zinc/12/15/43/337121543.db2.gz FMKPJCRRIJQUGF-DLOFLVKXSA-N -1 3 307.821 3.990 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)on1 ZINC000172726399 337130577 /nfs/dbraw/zinc/13/05/77/337130577.db2.gz INHYFCDWOQJODU-SECBINFHSA-N -1 3 316.386 3.892 20 0 DHADHM COc1csc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000175861879 337148614 /nfs/dbraw/zinc/14/86/14/337148614.db2.gz TXBRQBLXNMTEHC-UHFFFAOYSA-N -1 3 300.339 3.664 20 0 DHADHM CSc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000181832357 337184916 /nfs/dbraw/zinc/18/49/16/337184916.db2.gz AUPJWAAJQCSBBB-UHFFFAOYSA-N -1 3 307.802 3.949 20 0 DHADHM O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc([O-])c1 ZINC000181955653 337185506 /nfs/dbraw/zinc/18/55/06/337185506.db2.gz VOEZFJSTJBYYHX-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM O=[S@](Cc1csc(Br)c1)c1cccc([O-])c1 ZINC000184067566 337195879 /nfs/dbraw/zinc/19/58/79/337195879.db2.gz WGZCHSKQXFWPQY-MRXNPFEDSA-N -1 3 317.229 3.524 20 0 DHADHM Cc1cc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)no1 ZINC000182931520 337190838 /nfs/dbraw/zinc/19/08/38/337190838.db2.gz MNVRNLJHOOCBOB-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000182991872 337190889 /nfs/dbraw/zinc/19/08/89/337190889.db2.gz MVYGEBCDCGEPNN-OAHLLOKOSA-N -1 3 317.772 3.689 20 0 DHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])cc1F ZINC000183267670 337192616 /nfs/dbraw/zinc/19/26/16/337192616.db2.gz OLSWMIUQKULORB-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM O=C(CCSc1ccc(F)cc1)Nc1ccc([O-])cc1F ZINC000183272576 337192622 /nfs/dbraw/zinc/19/26/22/337192622.db2.gz JACYYSWYFIJBDR-UHFFFAOYSA-N -1 3 309.337 3.791 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)c1cccc([O-])c1 ZINC000184031286 337194683 /nfs/dbraw/zinc/19/46/83/337194683.db2.gz VMUAYNQKBGPKCZ-IPQOISQHSA-N -1 3 313.378 3.916 20 0 DHADHM [O-]c1cc(F)cc(CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000186270745 337255542 /nfs/dbraw/zinc/25/55/42/337255542.db2.gz XOFOHUHLTZYVET-UHFFFAOYSA-N -1 3 323.795 3.569 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000187466566 337266189 /nfs/dbraw/zinc/26/61/89/337266189.db2.gz WIVPHOGBYUBBRM-LBPRGKRZSA-N -1 3 317.335 3.609 20 0 DHADHM COC(=O)c1cnc(SCCCSCc2ccccc2)[n-]1 ZINC000187593286 337267176 /nfs/dbraw/zinc/26/71/76/337267176.db2.gz LCCGHVMAJYKWNF-UHFFFAOYSA-N -1 3 322.455 3.612 20 0 DHADHM Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c([O-])c1 ZINC000188010859 337270120 /nfs/dbraw/zinc/27/01/20/337270120.db2.gz MLEZSPJSIOPYSC-UHFFFAOYSA-N -1 3 301.411 3.782 20 0 DHADHM Cn1ccc2cccc(NC(=O)Cc3ccc([O-])cc3Cl)c21 ZINC000188136397 337271121 /nfs/dbraw/zinc/27/11/21/337271121.db2.gz HMFVPJBSSBOWGK-UHFFFAOYSA-N -1 3 314.772 3.719 20 0 DHADHM Cc1cc2cc(NC(=O)c3n[n-]nc3-c3ccccc3)ccc2[nH]1 ZINC000189051985 337276498 /nfs/dbraw/zinc/27/64/98/337276498.db2.gz QLEUOIMJNNRPFS-UHFFFAOYSA-N -1 3 317.352 3.514 20 0 DHADHM Cc1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189012681 337276566 /nfs/dbraw/zinc/27/65/66/337276566.db2.gz DCADGIXKUPRLAW-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000129590389 337429998 /nfs/dbraw/zinc/42/99/98/337429998.db2.gz MNIFYBAFEAWJTM-IFXJQAMLSA-N -1 3 311.356 3.764 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2ccsc2C(=O)OC)on1 ZINC000131556123 337438171 /nfs/dbraw/zinc/43/81/71/337438171.db2.gz QYIBGCRZBYIRKB-UHFFFAOYSA-N -1 3 322.386 3.679 20 0 DHADHM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccccc1[O-] ZINC000421620878 337546193 /nfs/dbraw/zinc/54/61/93/337546193.db2.gz RDEVQVINSYLJHE-IBGZPJMESA-N -1 3 313.372 3.769 20 0 DHADHM CCc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000571838303 337578775 /nfs/dbraw/zinc/57/87/75/337578775.db2.gz JUGJKHWKGYQLAG-UHFFFAOYSA-N -1 3 317.352 3.751 20 0 DHADHM Cc1ccc(C=CCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000571905291 337580276 /nfs/dbraw/zinc/58/02/76/337580276.db2.gz WCAPNRUGYOSJPY-NSCUHMNNSA-N -1 3 317.352 3.572 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421971437 337664131 /nfs/dbraw/zinc/66/41/31/337664131.db2.gz UMVUKAZCURXPSU-VIFPVBQESA-N -1 3 321.726 3.850 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(F)cc3F)n2)ccc1[O-] ZINC000445417989 337693492 /nfs/dbraw/zinc/69/34/92/337693492.db2.gz LKXBLQAEMSNTJR-UHFFFAOYSA-N -1 3 318.279 3.786 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(OC)cc3)n2)ccc1[O-] ZINC000445425836 337726578 /nfs/dbraw/zinc/72/65/78/337726578.db2.gz GCARRQNGFNCEBY-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM CCOc1cc(-c2noc(-c3cc4ccccc4[nH]3)n2)ccc1[O-] ZINC000445426890 337727009 /nfs/dbraw/zinc/72/70/09/337727009.db2.gz MBBPMJHHYWCLDO-UHFFFAOYSA-N -1 3 321.336 3.989 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)OC)c2)c1[O-] ZINC000106915781 337824925 /nfs/dbraw/zinc/82/49/25/337824925.db2.gz CEVMUCQJZSFPJF-GFCCVEGCSA-N -1 3 315.369 3.669 20 0 DHADHM O=C(c1ccc(F)c(Cl)c1)N1CCCc2cccc([O-])c21 ZINC000119522038 337860441 /nfs/dbraw/zinc/86/04/41/337860441.db2.gz HJEDJNXHRMCAGR-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ncccc1C(F)(F)F ZINC000092526142 337905595 /nfs/dbraw/zinc/90/55/95/337905595.db2.gz HFOMUPGQJCCFSC-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(-c2cccs2)n1 ZINC000424616123 337920317 /nfs/dbraw/zinc/92/03/17/337920317.db2.gz FTZKBYPOLWYBRH-GWCFXTLKSA-N -1 3 324.471 3.707 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCc3occc32)c1Br ZINC000315231653 337982347 /nfs/dbraw/zinc/98/23/47/337982347.db2.gz JVVOINZFEPTYNZ-GFCCVEGCSA-N -1 3 322.202 3.915 20 0 DHADHM CSC1(CNCc2cccc([O-])c2Br)CCC1 ZINC000315276633 337983840 /nfs/dbraw/zinc/98/38/40/337983840.db2.gz BIVMKVHNOSTPGJ-UHFFFAOYSA-N -1 3 316.264 3.530 20 0 DHADHM COc1cccc(-c2nc(-c3cc(C)ccc3F)no2)c1[O-] ZINC000445457293 338018286 /nfs/dbraw/zinc/01/82/86/338018286.db2.gz PPHPDGDVDZJUMZ-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM C[C@H](CCNCc1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000426647661 338036898 /nfs/dbraw/zinc/03/68/98/338036898.db2.gz OKWKZKNLTNZLST-SECBINFHSA-N -1 3 323.742 3.949 20 0 DHADHM CC(C)(CCCNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426652038 338037163 /nfs/dbraw/zinc/03/71/63/338037163.db2.gz QFDBOSDWZVRVAA-UHFFFAOYSA-N -1 3 304.217 3.974 20 0 DHADHM O=C([O-])[C@@H](CCNCc1ccsc1Cl)Cc1ccccc1 ZINC000426667862 338037604 /nfs/dbraw/zinc/03/76/04/338037604.db2.gz AOBXYGPHQDYVCU-ZDUSSCGKSA-N -1 3 323.845 3.825 20 0 DHADHM O=C([O-])C[C@H](NCc1cccc2[nH]ccc21)c1ccsc1 ZINC000426672978 338037716 /nfs/dbraw/zinc/03/77/16/338037716.db2.gz VDEMXFDONQXLLQ-HNNXBMFYSA-N -1 3 300.383 3.535 20 0 DHADHM COc1ccc(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000426688022 338038044 /nfs/dbraw/zinc/03/80/44/338038044.db2.gz NQBYLTUQSAMUSQ-RYUDHWBXSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1ccc2[nH]c(CNCc3ccc(C(=O)[O-])cc3)cc2c1C ZINC000426684128 338038140 /nfs/dbraw/zinc/03/81/40/338038140.db2.gz XLLSBPIZLLYEDU-UHFFFAOYSA-N -1 3 308.381 3.773 20 0 DHADHM CCSc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000426692274 338038243 /nfs/dbraw/zinc/03/82/43/338038243.db2.gz QIFVQTBWOAMLHR-UHFFFAOYSA-N -1 3 301.411 3.787 20 0 DHADHM O=C([O-])[C@H](CNCc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000426708572 338038678 /nfs/dbraw/zinc/03/86/78/338038678.db2.gz KYKQGJWQXPCYEG-AWEZNQCLSA-N -1 3 321.779 3.512 20 0 DHADHM CCc1ccc(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])o1 ZINC000426711905 338038878 /nfs/dbraw/zinc/03/88/78/338038878.db2.gz SQIMPYJLWRZHIT-CYBMUJFWSA-N -1 3 321.804 3.529 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000426719036 338039085 /nfs/dbraw/zinc/03/90/85/338039085.db2.gz DBNOTIYHXZHGCY-BDJLRTHQSA-N -1 3 305.324 3.516 20 0 DHADHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1ccccc1Cl ZINC000426734737 338039886 /nfs/dbraw/zinc/03/98/86/338039886.db2.gz BDJZLECXJPJAQE-HNNXBMFYSA-N -1 3 324.207 3.779 20 0 DHADHM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426753306 338040825 /nfs/dbraw/zinc/04/08/25/338040825.db2.gz HRMSFOQVFJARDA-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426755650 338040946 /nfs/dbraw/zinc/04/09/46/338040946.db2.gz DUSVQMXCIPKYDO-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426754480 338040968 /nfs/dbraw/zinc/04/09/68/338040968.db2.gz QOFRIYJJTFTGMD-MRXNPFEDSA-N -1 3 321.779 3.957 20 0 DHADHM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426760625 338041160 /nfs/dbraw/zinc/04/11/60/338041160.db2.gz SSRCQHWTLYOUBF-CYBMUJFWSA-N -1 3 313.781 3.765 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cccc3cccnc32)C(=O)[O-])c1 ZINC000426763278 338041263 /nfs/dbraw/zinc/04/12/63/338041263.db2.gz RMTSRZJYOSJWAG-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM O=C(N[C@@H]1CC12CCCC2)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000430212791 338101678 /nfs/dbraw/zinc/10/16/78/338101678.db2.gz PXKQHGUUBUWNCV-LLVKDONJSA-N -1 3 321.833 3.854 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431135406 338123744 /nfs/dbraw/zinc/12/37/44/338123744.db2.gz BGEGXHZZKLRMJR-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC4(CCC4)C[C@@H]3C)c(=O)c2c1 ZINC000432668645 338161984 /nfs/dbraw/zinc/16/19/84/338161984.db2.gz JKMQYXWGSLLTDG-AWEZNQCLSA-N -1 3 324.424 3.550 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000435056466 338231309 /nfs/dbraw/zinc/23/13/09/338231309.db2.gz LYUUXIGHXYJVAP-UHFFFAOYSA-N -1 3 303.352 3.992 20 0 DHADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc([O-])cc1F ZINC000435801744 338249717 /nfs/dbraw/zinc/24/97/17/338249717.db2.gz VAVNVHQUWFBBKT-KRWDZBQOSA-N -1 3 315.344 3.564 20 0 DHADHM CCc1nc(Cc2noc(/C=C/c3cccc([O-])c3)n2)cs1 ZINC000435956207 338254305 /nfs/dbraw/zinc/25/43/05/338254305.db2.gz GMXYVHHBUAKOTE-VOTSOKGWSA-N -1 3 313.382 3.555 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1ccc(Cl)cc1F ZINC000436034580 338256318 /nfs/dbraw/zinc/25/63/18/338256318.db2.gz AXQICZATUSSBRA-UHFFFAOYSA-N -1 3 315.801 3.869 20 0 DHADHM Cc1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)ns1 ZINC000436050313 338256694 /nfs/dbraw/zinc/25/66/94/338256694.db2.gz ZSUCVPXQJUXPRM-UHFFFAOYSA-N -1 3 302.733 3.944 20 0 DHADHM CC(C)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000436164957 338260141 /nfs/dbraw/zinc/26/01/41/338260141.db2.gz WEKBWGPGVAZBFK-HNNXBMFYSA-N -1 3 304.777 3.819 20 0 DHADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)c2n[nH]cc21 ZINC000436253643 338263616 /nfs/dbraw/zinc/26/36/16/338263616.db2.gz PUQPVYVUAWKMHN-UHFFFAOYSA-N -1 3 323.381 3.575 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)c2n[nH]cc21 ZINC000436253643 338263617 /nfs/dbraw/zinc/26/36/17/338263617.db2.gz PUQPVYVUAWKMHN-UHFFFAOYSA-N -1 3 323.381 3.575 20 0 DHADHM CN(C(=O)c1ccc(O)cc1[O-])C1CCC(C(C)(C)C)CC1 ZINC000436488510 338273989 /nfs/dbraw/zinc/27/39/89/338273989.db2.gz RSAJFKVCWZROLF-UHFFFAOYSA-N -1 3 305.418 3.775 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)c(F)c3)n2)cc1 ZINC000436509255 338274513 /nfs/dbraw/zinc/27/45/13/338274513.db2.gz AEPMDXWHALRVLB-UHFFFAOYSA-N -1 3 322.242 3.850 20 0 DHADHM Cc1nc2c(cccc2-c2noc(-c3ccc(C)cc3[O-])n2)[nH]1 ZINC000436521589 338275023 /nfs/dbraw/zinc/27/50/23/338275023.db2.gz NNLBILAJIGUTGF-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COCc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436527641 338275171 /nfs/dbraw/zinc/27/51/71/338275171.db2.gz UOCVRFLSPNJSAW-UHFFFAOYSA-N -1 3 313.397 3.592 20 0 DHADHM COCCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000436529770 338275319 /nfs/dbraw/zinc/27/53/19/338275319.db2.gz CIYGSGLLPJQVCD-HNNXBMFYSA-N -1 3 313.397 3.550 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(Cl)cc3F)no2)c1[O-] ZINC000436529615 338275355 /nfs/dbraw/zinc/27/53/55/338275355.db2.gz BRWJKIPMWKIXCW-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1 ZINC000436535286 338275794 /nfs/dbraw/zinc/27/57/94/338275794.db2.gz RREBTPPTRHWOLJ-JSGCOSHPSA-N -1 3 314.291 3.992 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)c([O-])c1 ZINC000436538167 338276034 /nfs/dbraw/zinc/27/60/34/338276034.db2.gz JPTMTWVHDZHMBN-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM Cc1csc(C2(NC(=O)c3ccc(C)cc3[O-])CCCC2)n1 ZINC000436545417 338276263 /nfs/dbraw/zinc/27/62/63/338276263.db2.gz BJXPSXONYJSOLQ-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000436545198 338276275 /nfs/dbraw/zinc/27/62/75/338276275.db2.gz RJCUJPYSBWGQGB-JQWIXIFHSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000436544169 338276277 /nfs/dbraw/zinc/27/62/77/338276277.db2.gz BPRFXBZUVUBXPT-PWSUYJOCSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1C ZINC000436543840 338276294 /nfs/dbraw/zinc/27/62/94/338276294.db2.gz JQOYFUZNJHWPQX-AAEUAGOBSA-N -1 3 315.335 3.812 20 0 DHADHM Cc1sc(CNC(=O)c2cc(C)ccc2[O-])nc1C(C)C ZINC000436544547 338276393 /nfs/dbraw/zinc/27/63/93/338276393.db2.gz DOFSGVUTOQKHCN-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000436545696 338276579 /nfs/dbraw/zinc/27/65/79/338276579.db2.gz ODWZSVPYRMBVRL-PWSUYJOCSA-N -1 3 301.308 3.504 20 0 DHADHM C[C@@H]1CCCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436551423 338276634 /nfs/dbraw/zinc/27/66/34/338276634.db2.gz YUPMFPGPSDXPCJ-GFCCVEGCSA-N -1 3 303.402 3.510 20 0 DHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000436551318 338276743 /nfs/dbraw/zinc/27/67/43/338276743.db2.gz NAEJEEIUAOLHEU-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM CC[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436552252 338276752 /nfs/dbraw/zinc/27/67/52/338276752.db2.gz VDHOQEUPYUPSLS-KRWDZBQOSA-N -1 3 309.409 3.998 20 0 DHADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436562423 338277346 /nfs/dbraw/zinc/27/73/46/338277346.db2.gz JLCAROYHJGXVSF-LSDHHAIUSA-N -1 3 309.409 3.854 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c([O-])c1C ZINC000436566298 338277397 /nfs/dbraw/zinc/27/73/97/338277397.db2.gz LFPJEFKDDJKDOO-UHFFFAOYSA-N -1 3 324.380 3.536 20 0 DHADHM CCc1cnc(CCNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436574836 338277819 /nfs/dbraw/zinc/27/78/19/338277819.db2.gz MRAKZSIOVOOCCZ-UHFFFAOYSA-N -1 3 318.442 3.507 20 0 DHADHM Cc1cnc([C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000436577992 338278010 /nfs/dbraw/zinc/27/80/10/338278010.db2.gz ULNLDUDUEBEMOP-NSHDSACASA-N -1 3 316.426 3.527 20 0 DHADHM CC[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436579733 338278146 /nfs/dbraw/zinc/27/81/46/338278146.db2.gz AGZXLMGGGJEDKK-OAHLLOKOSA-N -1 3 309.409 3.855 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436588134 338278671 /nfs/dbraw/zinc/27/86/71/338278671.db2.gz HFGYFTCFOVCCJC-ZBFHGGJFSA-N -1 3 319.445 3.793 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1[O-] ZINC000436589277 338278767 /nfs/dbraw/zinc/27/87/67/338278767.db2.gz PNDNJDIHHFXXNP-RDJZCZTQSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])cnn1CCC(C)C ZINC000436599108 338279324 /nfs/dbraw/zinc/27/93/24/338279324.db2.gz CBAYMPGBGCPGOS-UHFFFAOYSA-N -1 3 315.417 3.812 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(C)ccc2[O-])c1C1CC1 ZINC000436604103 338279494 /nfs/dbraw/zinc/27/94/94/338279494.db2.gz NXFSCEAACGOHKA-GFCCVEGCSA-N -1 3 313.401 3.998 20 0 DHADHM CN(CCC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436608472 338279706 /nfs/dbraw/zinc/27/97/06/338279706.db2.gz UQIQEHCCGQMWFV-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM C[C@@H]1[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1(F)F ZINC000436609066 338279820 /nfs/dbraw/zinc/27/98/20/338279820.db2.gz HWKXKMKDGBQHLG-AMIZOPFISA-N -1 3 302.280 3.964 20 0 DHADHM O=C(N[C@@H](c1cccnc1)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436608664 338279831 /nfs/dbraw/zinc/27/98/31/338279831.db2.gz UZBJSWOUYCQQIA-LJQANCHMSA-N -1 3 322.408 3.547 20 0 DHADHM O=C(Nc1scnc1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436611083 338279958 /nfs/dbraw/zinc/27/99/58/338279958.db2.gz YLKZUDOBXWHHHI-UHFFFAOYSA-N -1 3 314.410 3.857 20 0 DHADHM COc1ccc(C(=O)NC[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000436626050 338280542 /nfs/dbraw/zinc/28/05/42/338280542.db2.gz GVZIBBHRNFCZQQ-KRWDZBQOSA-N -1 3 313.397 3.570 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000436634722 338280840 /nfs/dbraw/zinc/28/08/40/338280840.db2.gz IVIBVMVOEJHZSQ-CQSZACIVSA-N -1 3 319.788 3.935 20 0 DHADHM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436657201 338281927 /nfs/dbraw/zinc/28/19/27/338281927.db2.gz KTPOZNJUPBXFQV-GUYCJALGSA-N -1 3 311.381 3.711 20 0 DHADHM Cc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1[O-] ZINC000436669721 338282179 /nfs/dbraw/zinc/28/21/79/338282179.db2.gz MSRVSKDHGFUXIM-INIZCTEOSA-N -1 3 323.396 3.704 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1C ZINC000436667074 338282237 /nfs/dbraw/zinc/28/22/37/338282237.db2.gz SKQLVODPUNTHOB-UHFFFAOYSA-N -1 3 305.324 3.559 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1[O-] ZINC000436669722 338282250 /nfs/dbraw/zinc/28/22/50/338282250.db2.gz MSRVSKDHGFUXIM-MRXNPFEDSA-N -1 3 323.396 3.704 20 0 DHADHM CCc1cc(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)ccc1[O-] ZINC000436674652 338282360 /nfs/dbraw/zinc/28/23/60/338282360.db2.gz WCNGCNQUKLXRPR-WMZOPIPTSA-N -1 3 319.445 3.668 20 0 DHADHM Cc1ccnc2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc12 ZINC000436683399 338282622 /nfs/dbraw/zinc/28/26/22/338282622.db2.gz UGQIVJHQNIWIDY-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CC1=CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436686713 338282854 /nfs/dbraw/zinc/28/28/54/338282854.db2.gz PKVQWRZNUPIINX-UHFFFAOYSA-N -1 3 309.365 3.977 20 0 DHADHM COc1cccc(-c2nc(-c3cccc(C)c3F)no2)c1[O-] ZINC000436689062 338282951 /nfs/dbraw/zinc/28/29/51/338282951.db2.gz QGPMDHHOEADNGY-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436695694 338283144 /nfs/dbraw/zinc/28/31/44/338283144.db2.gz FJRZLZLPKHFKPI-GOEBONIOSA-N -1 3 307.459 3.749 20 0 DHADHM COCCn1ccc2ccc(NC(=O)c3cccc(C)c3[O-])cc21 ZINC000436704225 338283415 /nfs/dbraw/zinc/28/34/15/338283415.db2.gz JMRZWQUQZBYRJK-UHFFFAOYSA-N -1 3 324.380 3.554 20 0 DHADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC000436705905 338283459 /nfs/dbraw/zinc/28/34/59/338283459.db2.gz OPFXQPWHVQTZOL-KGLIPLIRSA-N -1 3 305.418 3.919 20 0 DHADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC000436705907 338283506 /nfs/dbraw/zinc/28/35/06/338283506.db2.gz OPFXQPWHVQTZOL-UONOGXRCSA-N -1 3 305.418 3.919 20 0 DHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccccc1[O-])[C@@H]2C ZINC000436705180 338283515 /nfs/dbraw/zinc/28/35/15/338283515.db2.gz OGJRYGKCOVJOAO-CHWSQXEVSA-N -1 3 311.381 3.549 20 0 DHADHM COc1cccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1[O-] ZINC000436707905 338283596 /nfs/dbraw/zinc/28/35/96/338283596.db2.gz IOHFLQCPIXYQKE-QGZVFWFLSA-N -1 3 311.381 3.672 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436719631 338283942 /nfs/dbraw/zinc/28/39/42/338283942.db2.gz PEHGJVVNZHZLSM-ZDUSSCGKSA-N -1 3 323.396 3.814 20 0 DHADHM CC[C@](C)(NC(=O)c1cc(C)ccc1[O-])c1nc(C)cs1 ZINC000436717896 338284033 /nfs/dbraw/zinc/28/40/33/338284033.db2.gz ICGNATDCTDLKMT-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM Cc1cccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1[O-] ZINC000436735258 338284703 /nfs/dbraw/zinc/28/47/03/338284703.db2.gz CCRNGOWRMGFNEB-UHFFFAOYSA-N -1 3 313.401 3.683 20 0 DHADHM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436736351 338284845 /nfs/dbraw/zinc/28/48/45/338284845.db2.gz GJKSQQGZKOEBMA-GJZGRUSLSA-N -1 3 311.381 3.554 20 0 DHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1ccc(O)cc1[O-] ZINC000436740428 338284950 /nfs/dbraw/zinc/28/49/50/338284950.db2.gz SHERZFGLERVVAL-NSHDSACASA-N -1 3 323.801 3.620 20 0 DHADHM Cc1cccc(C(=O)NCC2(Sc3ccccc3)CC2)c1[O-] ZINC000436743062 338284956 /nfs/dbraw/zinc/28/49/56/338284956.db2.gz ZDCKRJRMLMRVTN-UHFFFAOYSA-N -1 3 313.422 3.755 20 0 DHADHM CC(C)c1ccc(C(=O)NC2CC(C(F)(F)F)C2)c([O-])c1 ZINC000436743219 338284989 /nfs/dbraw/zinc/28/49/89/338284989.db2.gz YSXKFSLUGFVKSY-UHFFFAOYSA-N -1 3 301.308 3.586 20 0 DHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1[O-] ZINC000436748624 338285170 /nfs/dbraw/zinc/28/51/70/338285170.db2.gz PTNHIDPLARIPKU-UHFFFAOYSA-N -1 3 321.298 3.830 20 0 DHADHM O=C(NCc1cccnc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436746247 338285235 /nfs/dbraw/zinc/28/52/35/338285235.db2.gz DNYJIDYCJOSKSP-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(SC)cc2)c1[O-] ZINC000436745791 338285272 /nfs/dbraw/zinc/28/52/72/338285272.db2.gz BLAZCBACVIPSPP-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[O-] ZINC000436750111 338285462 /nfs/dbraw/zinc/28/54/62/338285462.db2.gz VMVUKYVYXRMVLJ-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000436758904 338285986 /nfs/dbraw/zinc/28/59/86/338285986.db2.gz ZEBWMFUKLGPJLL-UHFFFAOYSA-N -1 3 301.361 3.892 20 0 DHADHM CCOc1ccc(CN(C)C(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436759558 338285992 /nfs/dbraw/zinc/28/59/92/338285992.db2.gz ZZFYBJAORWFFDR-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436759763 338286059 /nfs/dbraw/zinc/28/60/59/338286059.db2.gz GAVQGYJKRFNCQB-JTQLQIEISA-N -1 3 321.323 3.512 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccc4cccnc43)n2)cc1 ZINC000436766553 338286308 /nfs/dbraw/zinc/28/63/08/338286308.db2.gz CYPGJUDVRGXWMD-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM Cc1cccc(OCCCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436778399 338286893 /nfs/dbraw/zinc/28/68/93/338286893.db2.gz RMMMKPRSMIYMEZ-UHFFFAOYSA-N -1 3 310.353 3.762 20 0 DHADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)Cc1ccsc1 ZINC000436781860 338287171 /nfs/dbraw/zinc/28/71/71/338287171.db2.gz LNIJVELYCIQEJV-CYBMUJFWSA-N -1 3 303.427 3.855 20 0 DHADHM Cc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c([O-])c1C ZINC000436783514 338287189 /nfs/dbraw/zinc/28/71/89/338287189.db2.gz HGIJCCDXCWQAAP-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCOc1ccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1 ZINC000436785696 338287374 /nfs/dbraw/zinc/28/73/74/338287374.db2.gz ACCNAVYVWRDANT-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(OCC(C)C)c2)c1[O-] ZINC000436797850 338287784 /nfs/dbraw/zinc/28/77/84/338287784.db2.gz PRQMUJHTMNVCSL-UHFFFAOYSA-N -1 3 315.369 3.688 20 0 DHADHM CCc1ccc(C(=O)N(CC)Cc2ccc(OC)cc2)c([O-])c1 ZINC000436804896 338287887 /nfs/dbraw/zinc/28/78/87/338287887.db2.gz BSLLTGBSAIOFFY-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000436806034 338288056 /nfs/dbraw/zinc/28/80/56/338288056.db2.gz GPPIDBFHUZUQRZ-RYUDHWBXSA-N -1 3 314.291 3.992 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c([O-])c1 ZINC000436809719 338288114 /nfs/dbraw/zinc/28/81/14/338288114.db2.gz POZRGPGWMOURBN-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM CN(CC1CCCCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436822259 338288704 /nfs/dbraw/zinc/28/87/04/338288704.db2.gz OBKHLLLERRALFD-UHFFFAOYSA-N -1 3 301.430 3.923 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436832534 338288946 /nfs/dbraw/zinc/28/89/46/338288946.db2.gz SADNMDAPJFMADJ-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc(C(=O)NC2(c3nccs3)CCCC2)c([O-])c1 ZINC000436840493 338289571 /nfs/dbraw/zinc/28/95/71/338289571.db2.gz WVDNHBHGIOBJOD-UHFFFAOYSA-N -1 3 316.426 3.610 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(COC)cc3)no2)c([O-])c1 ZINC000436846502 338289737 /nfs/dbraw/zinc/28/97/37/338289737.db2.gz XVQRPEDQVWRQHA-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM CCc1ccc([C@@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436851560 338289840 /nfs/dbraw/zinc/28/98/40/338289840.db2.gz LVSFCJZZCSEORT-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4c(c3)ncn4C)no2)c([O-])c1 ZINC000436861637 338290375 /nfs/dbraw/zinc/29/03/75/338290375.db2.gz DYUUUVWCXDMJMS-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM CCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000436864479 338290510 /nfs/dbraw/zinc/29/05/10/338290510.db2.gz NQXUFCKPVIEUHY-QGZVFWFLSA-N -1 3 311.381 3.866 20 0 DHADHM COc1ccc2[nH]c(-c3nc(-c4ccc([O-])cc4)no3)cc2c1 ZINC000436874151 338291086 /nfs/dbraw/zinc/29/10/86/338291086.db2.gz ZNFRGDHBJLYXFU-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccc(C(F)F)c3)n2)cc1 ZINC000436874053 338291178 /nfs/dbraw/zinc/29/11/78/338291178.db2.gz YTOAHFJTNYWGOH-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc(C)s3)no2)c([O-])c1 ZINC000436888089 338292054 /nfs/dbraw/zinc/29/20/54/338292054.db2.gz ZUQAULZIVIFOFQ-UHFFFAOYSA-N -1 3 300.383 3.965 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)no2)c([O-])c1C ZINC000436894450 338292264 /nfs/dbraw/zinc/29/22/64/338292264.db2.gz SZGHLSBNJLYEGF-UHFFFAOYSA-N -1 3 309.369 3.792 20 0 DHADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc([O-])c(C)c1 ZINC000436893895 338292377 /nfs/dbraw/zinc/29/23/77/338292377.db2.gz CRDIMXJZSVTLSN-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCCCO1 ZINC000436897433 338292614 /nfs/dbraw/zinc/29/26/14/338292614.db2.gz YIKOVAMXJLVKID-UHFFFAOYSA-N -1 3 313.353 3.742 20 0 DHADHM Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000436902046 338292622 /nfs/dbraw/zinc/29/26/22/338292622.db2.gz IQTSVTFHLDBQEK-QGZVFWFLSA-N -1 3 315.388 3.837 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)ccc1[O-] ZINC000436900098 338292630 /nfs/dbraw/zinc/29/26/30/338292630.db2.gz GQYSIOBXZXKOLK-HNNXBMFYSA-N -1 3 324.424 3.792 20 0 DHADHM Cc1ccc(OCCCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436900160 338292717 /nfs/dbraw/zinc/29/27/17/338292717.db2.gz HEWLWSFWHLKVMR-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM [O-]c1ccccc1-c1nc(CCCOc2ccc(F)cc2)no1 ZINC000436912539 338293205 /nfs/dbraw/zinc/29/32/05/338293205.db2.gz XJPKZMXGSMEGSG-UHFFFAOYSA-N -1 3 314.316 3.593 20 0 DHADHM COc1ccc([C@@H](C)CCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436925173 338293667 /nfs/dbraw/zinc/29/36/67/338293667.db2.gz IWXDASLWFSEWMB-ZDUSSCGKSA-N -1 3 313.397 3.633 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H](C)Oc3ccccc3)no2)c1 ZINC000436930851 338293949 /nfs/dbraw/zinc/29/39/49/338293949.db2.gz IYRBJXZGWFMKSY-NSHDSACASA-N -1 3 312.325 3.591 20 0 DHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436928712 338294115 /nfs/dbraw/zinc/29/41/15/338294115.db2.gz WUSZERHWGGSQBA-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1cccc(CN(CC(C)C)C(=O)c2ccc(O)cc2[O-])c1 ZINC000436934107 338294344 /nfs/dbraw/zinc/29/43/44/338294344.db2.gz FQESHFFBIRXMIE-UHFFFAOYSA-N -1 3 313.397 3.705 20 0 DHADHM Cc1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)c([O-])c1C ZINC000436935474 338294382 /nfs/dbraw/zinc/29/43/82/338294382.db2.gz CGQPWYOLVBBADV-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COc1ccc([C@H](C)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436938112 338294704 /nfs/dbraw/zinc/29/47/04/338294704.db2.gz KDZCJSBMLNSXIW-CQSZACIVSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)c1[O-] ZINC000436943455 338294961 /nfs/dbraw/zinc/29/49/61/338294961.db2.gz ZCOGUMSEUBQLPU-UHFFFAOYSA-N -1 3 313.332 3.623 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c([O-])c1 ZINC000436946046 338295114 /nfs/dbraw/zinc/29/51/14/338295114.db2.gz CBFRHLMTTVNCIK-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM COc1ccc([O-])c(-c2nc(C[C@@H](C)c3ccccc3)no2)c1 ZINC000436947131 338295427 /nfs/dbraw/zinc/29/54/27/338295427.db2.gz QZSNGTSWTBZIGA-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM COc1cccc(C(=O)N2CCCCC[C@H]2CC(C)C)c1[O-] ZINC000436953098 338295611 /nfs/dbraw/zinc/29/56/11/338295611.db2.gz LMRPLZYMBQJFOX-AWEZNQCLSA-N -1 3 305.418 3.832 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ccc(F)cc21 ZINC000436954993 338295644 /nfs/dbraw/zinc/29/56/44/338295644.db2.gz BREYCDYESXBVKI-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C(C)C)cn3)n2)ccc1[O-] ZINC000436957532 338295856 /nfs/dbraw/zinc/29/58/56/338295856.db2.gz WDOTYNZOWHTHIX-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM Cc1ccc(C(=O)N2CC=C(c3ccccc3F)C2)c([O-])c1C ZINC000436958322 338295985 /nfs/dbraw/zinc/29/59/85/338295985.db2.gz GNVIPBLZUIBGPX-UHFFFAOYSA-N -1 3 311.356 3.688 20 0 DHADHM CSCc1cccnc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000436961758 338296170 /nfs/dbraw/zinc/29/61/70/338296170.db2.gz CIEKFSVTUQDHOS-UHFFFAOYSA-N -1 3 322.817 3.864 20 0 DHADHM Cc1csc([C@H](C)CNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436978039 338296489 /nfs/dbraw/zinc/29/64/89/338296489.db2.gz GBDTUTWWPULYBJ-LLVKDONJSA-N -1 3 318.442 3.814 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000436972697 338296497 /nfs/dbraw/zinc/29/64/97/338296497.db2.gz PZZYHDLKOGWBHG-ZIAGYGMSSA-N -1 3 305.418 3.689 20 0 DHADHM CC(C)c1ccc(C(=O)NCCC[C@H]2CCCCO2)c([O-])c1 ZINC000436977315 338296513 /nfs/dbraw/zinc/29/65/13/338296513.db2.gz DNASOTRWDUDSLZ-OAHLLOKOSA-N -1 3 305.418 3.595 20 0 DHADHM COC(=O)c1ccc(-c2csc(-c3ccccc3[O-])n2)cc1 ZINC000436979550 338296600 /nfs/dbraw/zinc/29/66/00/338296600.db2.gz KGNXITHYKKGGNW-UHFFFAOYSA-N -1 3 311.362 3.969 20 0 DHADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436980110 338296653 /nfs/dbraw/zinc/29/66/53/338296653.db2.gz MKXZLMMYUGXXMU-NSHDSACASA-N -1 3 303.427 3.740 20 0 DHADHM O=C(N[C@H]1CC=CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436981465 338296680 /nfs/dbraw/zinc/29/66/80/338296680.db2.gz QMKAAZWHFVTRJF-INIZCTEOSA-N -1 3 323.392 3.810 20 0 DHADHM CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436987188 338296838 /nfs/dbraw/zinc/29/68/38/338296838.db2.gz TZMSYQJSGXYUDC-IBGZPJMESA-N -1 3 319.445 3.529 20 0 DHADHM COc1ccc(C)cc1Cc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436996966 338297191 /nfs/dbraw/zinc/29/71/91/338297191.db2.gz HQIBUQHARMJLAE-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM Cn1ccnc1-c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000438847370 338353700 /nfs/dbraw/zinc/35/37/00/338353700.db2.gz MTWKOTQASNEAPR-UHFFFAOYSA-N -1 3 315.323 3.683 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CCc2ccc(C)o2)c1 ZINC000440275847 338385085 /nfs/dbraw/zinc/38/50/85/338385085.db2.gz YFDSILXPNWFPES-LBPRGKRZSA-N -1 3 301.386 3.607 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ncc(C(C)(C)C)s2)c1[O-] ZINC000440339616 338385740 /nfs/dbraw/zinc/38/57/40/338385740.db2.gz KHODENUFLORJMN-UHFFFAOYSA-N -1 3 320.414 3.716 20 0 DHADHM COc1cccc([C@@H](C)CCCC(=O)Nc2ncccc2[O-])c1 ZINC000447532382 338554628 /nfs/dbraw/zinc/55/46/28/338554628.db2.gz UADJRRIKYZTUAR-ZDUSSCGKSA-N -1 3 314.385 3.708 20 0 DHADHM COCC1(C)CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000447826615 338568189 /nfs/dbraw/zinc/56/81/89/338568189.db2.gz KTTNKFFFVAQGMV-UHFFFAOYSA-N -1 3 319.445 3.748 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(Cl)cc1F ZINC000162558298 338633986 /nfs/dbraw/zinc/63/39/86/338633986.db2.gz LLUMWZBJWCFFIZ-QWRGUYRKSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000452748606 338777682 /nfs/dbraw/zinc/77/76/82/338777682.db2.gz KNIVMNCEXPJSDU-VHSXEESVSA-N -1 3 312.207 3.694 20 0 DHADHM Cc1csc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000452757117 338778045 /nfs/dbraw/zinc/77/80/45/338778045.db2.gz MBXUUYBDDYSZGQ-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM Cc1cccc(C(=O)Nc2nnc(-c3ccsc3)s2)c1[O-] ZINC000195560242 338908643 /nfs/dbraw/zinc/90/86/43/338908643.db2.gz MZYCBZWYJAYBBN-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000458134401 338989523 /nfs/dbraw/zinc/98/95/23/338989523.db2.gz POFJNKZJAVQBDI-GXTWGEPZSA-N -1 3 301.308 3.575 20 0 DHADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459288707 339019438 /nfs/dbraw/zinc/01/94/38/339019438.db2.gz JMHASTDBBKPQLZ-NSHDSACASA-N -1 3 317.820 3.906 20 0 DHADHM CC(C)(C)[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459355088 339023915 /nfs/dbraw/zinc/02/39/15/339023915.db2.gz PPGITSZTCROGTM-QGZVFWFLSA-N -1 3 311.429 3.937 20 0 DHADHM O=c1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)nc(C2CC2)[n-]1 ZINC000459354982 339024041 /nfs/dbraw/zinc/02/40/41/339024041.db2.gz PHMUTRMIKJQFHW-GOSISDBHSA-N -1 3 321.424 3.712 20 0 DHADHM Cc1cc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)s1 ZINC000459391981 339026498 /nfs/dbraw/zinc/02/64/98/339026498.db2.gz KUYMMQVBEDRICL-JTQLQIEISA-N -1 3 303.431 3.589 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc2ccccc2o1 ZINC000459403637 339027207 /nfs/dbraw/zinc/02/72/07/339027207.db2.gz LDVGRCZBYDUUST-NSHDSACASA-N -1 3 309.369 3.657 20 0 DHADHM CC(C)C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459476703 339031544 /nfs/dbraw/zinc/03/15/44/339031544.db2.gz RQUQCCCFSLQKOH-QGZVFWFLSA-N -1 3 311.429 3.937 20 0 DHADHM [O-]c1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1Br ZINC000459569217 339036391 /nfs/dbraw/zinc/03/63/91/339036391.db2.gz MERRQFLIFUELJT-NSHDSACASA-N -1 3 324.140 3.585 20 0 DHADHM [O-]c1cccc(CN2CCCc3occc3C2)c1Br ZINC000459572171 339036559 /nfs/dbraw/zinc/03/65/59/339036559.db2.gz SVXGXMYJZLUREZ-UHFFFAOYSA-N -1 3 322.202 3.696 20 0 DHADHM CN(C)CCN(Cc1ccsc1)Cc1cccc([O-])c1Cl ZINC000459744803 339045723 /nfs/dbraw/zinc/04/57/23/339045723.db2.gz MISGROKDTQRDGF-UHFFFAOYSA-N -1 3 324.877 3.671 20 0 DHADHM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000461431376 339063838 /nfs/dbraw/zinc/06/38/38/339063838.db2.gz RVFQIERHPZSKGC-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000461433582 339063886 /nfs/dbraw/zinc/06/38/86/339063886.db2.gz DIAPZODIZRDELG-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCC(CC)(C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000462571206 339081724 /nfs/dbraw/zinc/08/17/24/339081724.db2.gz CZFLBJJIVBUGLO-UHFFFAOYSA-N -1 3 323.483 3.784 20 0 DHADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462700793 339084372 /nfs/dbraw/zinc/08/43/72/339084372.db2.gz CLVKAIHYJHGKFQ-ZJUUUORDSA-N -1 3 307.818 3.582 20 0 DHADHM Cc1ccc2oc([N-][C@@H]3C[C@H](C)N(c4ccccc4)C3=O)nc2c1 ZINC000463067347 339103941 /nfs/dbraw/zinc/10/39/41/339103941.db2.gz CWKQGIBMXWNIOT-XJKSGUPXSA-N -1 3 321.380 3.742 20 0 DHADHM O=C(NCCCCC1CCCC1)NCc1ccc([O-])c(F)c1 ZINC000465979987 339189466 /nfs/dbraw/zinc/18/94/66/339189466.db2.gz KZNAQRLFILEQGX-UHFFFAOYSA-N -1 3 308.397 3.691 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C=CCCC2)c1Cl ZINC000467118065 339226733 /nfs/dbraw/zinc/22/67/33/339226733.db2.gz UNPMMTFXSZUPAV-JTQLQIEISA-N -1 3 320.241 3.689 20 0 DHADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)[C@@H]1CCc2ccccc21 ZINC000468269859 339258192 /nfs/dbraw/zinc/25/81/92/339258192.db2.gz INLDADHWKIAAKC-QGZVFWFLSA-N -1 3 311.429 3.644 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2cccc(Cl)c2)C(C)C)n1 ZINC000468289487 339259042 /nfs/dbraw/zinc/25/90/42/339259042.db2.gz YMIZSLDDJYACGX-UHFFFAOYSA-N -1 3 319.836 3.809 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCc2cccc([O-])c21 ZINC000468327435 339259825 /nfs/dbraw/zinc/25/98/25/339259825.db2.gz QRKUHGMJFAWWFA-PBHICJAKSA-N -1 3 317.429 3.657 20 0 DHADHM C[C@@H](Cc1cccs1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468327072 339259902 /nfs/dbraw/zinc/25/99/02/339259902.db2.gz DASRTYSAKSGRAD-LBPRGKRZSA-N -1 3 321.417 3.663 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000468366451 339260776 /nfs/dbraw/zinc/26/07/76/339260776.db2.gz BWIFRDGUAACSHM-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000468525262 339265414 /nfs/dbraw/zinc/26/54/14/339265414.db2.gz UTSMVVAPOZWDIZ-UHFFFAOYSA-N -1 3 319.351 3.618 20 0 DHADHM Cc1ccccc1CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468567834 339266547 /nfs/dbraw/zinc/26/65/47/339266547.db2.gz ZGNCGCOPHVCSPL-UHFFFAOYSA-N -1 3 315.388 3.821 20 0 DHADHM CC(C)CN(CC(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468907816 339274287 /nfs/dbraw/zinc/27/42/87/339274287.db2.gz HCDZHQHYPODZJQ-UHFFFAOYSA-N -1 3 309.425 3.995 20 0 DHADHM CCc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469148128 339281397 /nfs/dbraw/zinc/28/13/97/339281397.db2.gz YOXDMRYNHYIFHY-UHFFFAOYSA-N -1 3 321.417 3.794 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c1 ZINC000469245128 339284100 /nfs/dbraw/zinc/28/41/00/339284100.db2.gz HELDKKQJBNLEMU-HXUWFJFHSA-N -1 3 309.409 3.938 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)c2c(O)cccc21 ZINC000469889472 339304004 /nfs/dbraw/zinc/30/40/04/339304004.db2.gz OVQUOFDYERHRPQ-JTQLQIEISA-N -1 3 317.772 3.905 20 0 DHADHM COC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471570120 339347638 /nfs/dbraw/zinc/34/76/38/339347638.db2.gz KXSHBXSHZMZOTI-UHFFFAOYSA-N -1 3 321.332 3.584 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1c[n-]nc1-c1ccncc1 ZINC000471986189 339358763 /nfs/dbraw/zinc/35/87/63/339358763.db2.gz WFVNDWHXDNKBPC-UHFFFAOYSA-N -1 3 314.295 3.662 20 0 DHADHM O=C(Nc1cccc(C(F)F)c1)c1cn[n-]c1-c1ccncc1 ZINC000471986189 339358764 /nfs/dbraw/zinc/35/87/64/339358764.db2.gz WFVNDWHXDNKBPC-UHFFFAOYSA-N -1 3 314.295 3.662 20 0 DHADHM CCCC[C@@H](NCc1cc([O-])cc(F)c1)C(=O)OC(C)(C)C ZINC000472043013 339360419 /nfs/dbraw/zinc/36/04/19/339360419.db2.gz GNJJXDQHLIJDRX-OAHLLOKOSA-N -1 3 311.397 3.521 20 0 DHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1c[n-]nn1 ZINC000472375676 339371236 /nfs/dbraw/zinc/37/12/36/339371236.db2.gz UNUQRLRWXLSAHN-OAHLLOKOSA-N -1 3 318.808 3.510 20 0 DHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1cnn[n-]1 ZINC000472375676 339371237 /nfs/dbraw/zinc/37/12/37/339371237.db2.gz UNUQRLRWXLSAHN-OAHLLOKOSA-N -1 3 318.808 3.510 20 0 DHADHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1cn[n-]n1 ZINC000472375676 339371238 /nfs/dbraw/zinc/37/12/38/339371238.db2.gz UNUQRLRWXLSAHN-OAHLLOKOSA-N -1 3 318.808 3.510 20 0 DHADHM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000473626765 339389163 /nfs/dbraw/zinc/38/91/63/339389163.db2.gz CGPXBULGEFMRPJ-HNNXBMFYSA-N -1 3 304.434 3.790 20 0 DHADHM CC(C)c1ccc(/C=C/CC(=O)NCc2ncccc2[O-])cc1 ZINC000473636992 339389166 /nfs/dbraw/zinc/38/91/66/339389166.db2.gz ABZJZZUXQRIGFY-HWKANZROSA-N -1 3 310.397 3.630 20 0 DHADHM O=C(CC1CCC(c2ccccc2)CC1)NCc1ncccc1[O-] ZINC000473632587 339389205 /nfs/dbraw/zinc/38/92/05/339389205.db2.gz ZTLXWTZKKJWRAY-UHFFFAOYSA-N -1 3 324.424 3.768 20 0 DHADHM CC(C)(C)C1CCC(CC(=O)NCc2ncccc2[O-])CC1 ZINC000473646111 339389376 /nfs/dbraw/zinc/38/93/76/339389376.db2.gz YYDLSHGSEMBWSK-UHFFFAOYSA-N -1 3 304.434 3.646 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCN(c2ccccc2)[C@@H]1C ZINC000476211051 339471331 /nfs/dbraw/zinc/47/13/31/339471331.db2.gz ZZJMUAJKMAYWOG-ZBFHGGJFSA-N -1 3 310.397 3.554 20 0 DHADHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])O2 ZINC000476484712 339477322 /nfs/dbraw/zinc/47/73/22/339477322.db2.gz QGMOQJPBQQVHDE-INIZCTEOSA-N -1 3 317.772 3.686 20 0 DHADHM Cc1ccc(SCCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000478293139 339512807 /nfs/dbraw/zinc/51/28/07/339512807.db2.gz LFASEJZGAYWGTH-UHFFFAOYSA-N -1 3 305.374 3.961 20 0 DHADHM CC(C)[C@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CC1(C)C ZINC000480397535 339572225 /nfs/dbraw/zinc/57/22/25/339572225.db2.gz QXJAZAUERFSQRS-QGZVFWFLSA-N -1 3 307.409 3.747 20 0 DHADHM CCc1cccnc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000486059251 339719612 /nfs/dbraw/zinc/71/96/12/339719612.db2.gz MVTKXSFERHQHHL-UHFFFAOYSA-N -1 3 315.760 3.644 20 0 DHADHM O=C(CCc1ccc2ccccc2n1)Nc1ccc([O-])cc1F ZINC000487171746 339745230 /nfs/dbraw/zinc/74/52/30/339745230.db2.gz RATOCIOKXOZPBN-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000487232743 339747087 /nfs/dbraw/zinc/74/70/87/339747087.db2.gz OKTVZBLWSDTDCM-UHFFFAOYSA-N -1 3 323.314 3.644 20 0 DHADHM CCc1cc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)ccc1[O-] ZINC000487376694 339752418 /nfs/dbraw/zinc/75/24/18/339752418.db2.gz GWVIWTOMMKRTER-LBPRGKRZSA-N -1 3 303.324 3.661 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)ccc1[O-] ZINC000487789260 339763305 /nfs/dbraw/zinc/76/33/05/339763305.db2.gz XIPSRKDMRPCDCJ-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CSc1ccccc1CC(=O)N1CCCc2cccc([O-])c21 ZINC000490868268 339842435 /nfs/dbraw/zinc/84/24/35/339842435.db2.gz HDCRHMAZJLYCNG-UHFFFAOYSA-N -1 3 313.422 3.636 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(-c2nccs2)c1 ZINC000492449943 339900932 /nfs/dbraw/zinc/90/09/32/339900932.db2.gz ZDBIDTXJYKDTBL-SNAWJCMRSA-N -1 3 323.377 3.563 20 0 DHADHM COc1ccc(/C=C/C(=O)Nc2ccc([O-])cc2F)cc1Cl ZINC000492731846 339907694 /nfs/dbraw/zinc/90/76/94/339907694.db2.gz FAQWLAPUVIYROK-XVNBXDOJSA-N -1 3 321.735 3.845 20 0 DHADHM CSc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)[n-]1 ZINC000499036947 340028114 /nfs/dbraw/zinc/02/81/14/340028114.db2.gz INVWCQQMYFETND-UHFFFAOYSA-N -1 3 316.430 3.827 20 0 DHADHM CSc1n[n-]c(NC(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000499036947 340028115 /nfs/dbraw/zinc/02/81/15/340028115.db2.gz INVWCQQMYFETND-UHFFFAOYSA-N -1 3 316.430 3.827 20 0 DHADHM CSc1nc(NC(=O)c2ccc(C3CCCCC3)cc2)n[n-]1 ZINC000499036947 340028116 /nfs/dbraw/zinc/02/81/16/340028116.db2.gz INVWCQQMYFETND-UHFFFAOYSA-N -1 3 316.430 3.827 20 0 DHADHM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000499753757 340044021 /nfs/dbraw/zinc/04/40/21/340044021.db2.gz XNWSZYBKUJJTAE-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500078129 340049729 /nfs/dbraw/zinc/04/97/29/340049729.db2.gz VGCMTYCJXPMBTD-UHFFFAOYSA-N -1 3 324.471 3.667 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)ccc1[O-] ZINC000500598023 340063428 /nfs/dbraw/zinc/06/34/28/340063428.db2.gz CWZQNUMTKIUERM-FQEVSTJZSA-N -1 3 309.409 3.895 20 0 DHADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)ccc1[O-] ZINC000500690079 340065130 /nfs/dbraw/zinc/06/51/30/340065130.db2.gz YDHFKOKIFPMXCE-FZMZJTMJSA-N -1 3 319.763 3.779 20 0 DHADHM CCc1cc(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)ccc1[O-] ZINC000501722138 340087346 /nfs/dbraw/zinc/08/73/46/340087346.db2.gz XFRIZBGYEXEXET-PXNSSMCTSA-N -1 3 309.409 3.878 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)c1 ZINC000501789668 340088873 /nfs/dbraw/zinc/08/88/73/340088873.db2.gz CWIXEEBJNDIHHK-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CCC[C@H](NC(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000502872209 340115173 /nfs/dbraw/zinc/11/51/73/340115173.db2.gz NKNOHZABSMNEDD-LBPRGKRZSA-N -1 3 319.232 3.804 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000502995961 340118230 /nfs/dbraw/zinc/11/82/30/340118230.db2.gz HFZDAUAKULTYGN-CQSZACIVSA-N -1 3 313.372 3.723 20 0 DHADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000504324130 340145053 /nfs/dbraw/zinc/14/50/53/340145053.db2.gz JDUOMOCJTZLUDI-SCLBCKFNSA-N -1 3 323.392 3.542 20 0 DHADHM COc1ccc(NC(=O)c2ccc(C(C)(F)F)cc2)c([O-])c1 ZINC000504906150 340155685 /nfs/dbraw/zinc/15/56/85/340155685.db2.gz UFQUDZHKSGJBGD-UHFFFAOYSA-N -1 3 307.296 3.765 20 0 DHADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000505333791 340166361 /nfs/dbraw/zinc/16/63/61/340166361.db2.gz RNDUYOAMXYOJCR-VIFPVBQESA-N -1 3 309.287 3.942 20 0 DHADHM CN(Cc1cccs1)Cc1cc([O-])ccc1Br ZINC000505581323 340171653 /nfs/dbraw/zinc/17/16/53/340171653.db2.gz HMSASSDNOMNEPC-UHFFFAOYSA-N -1 3 312.232 3.848 20 0 DHADHM Cc1noc(Cl)c1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506234132 340189553 /nfs/dbraw/zinc/18/95/53/340189553.db2.gz XGJMRRCZPPUBRH-UHFFFAOYSA-N -1 3 322.792 3.821 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@H](O)C2CCCCC2)c([O-])c1 ZINC000506244296 340189877 /nfs/dbraw/zinc/18/98/77/340189877.db2.gz WGQMFEMKMCMBJZ-MRXNPFEDSA-N -1 3 305.418 3.569 20 0 DHADHM CC(C)c1ncncc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506251631 340190065 /nfs/dbraw/zinc/19/00/65/340190065.db2.gz BOCVIYNPDYRYEC-UHFFFAOYSA-N -1 3 313.401 3.855 20 0 DHADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@H](C)c1ccccc1 ZINC000507392901 340218565 /nfs/dbraw/zinc/21/85/65/340218565.db2.gz RCUPAMCTAUIKMX-CYBMUJFWSA-N -1 3 321.367 3.880 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1F ZINC000508244834 340241387 /nfs/dbraw/zinc/24/13/87/340241387.db2.gz CBACWEGPJCPVDW-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM CCN(C(=O)c1cccc([O-])c1)c1cccc(Br)c1 ZINC000508603410 340247670 /nfs/dbraw/zinc/24/76/70/340247670.db2.gz INDPBTBUTJXQDD-UHFFFAOYSA-N -1 3 320.186 3.821 20 0 DHADHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc([O-])c1 ZINC000509016607 340258363 /nfs/dbraw/zinc/25/83/63/340258363.db2.gz NSQQEYHZJJRDEP-CYBMUJFWSA-N -1 3 301.308 3.633 20 0 DHADHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000509020616 340258542 /nfs/dbraw/zinc/25/85/42/340258542.db2.gz FKCUEADTCAYGFY-LLVKDONJSA-N -1 3 321.779 3.913 20 0 DHADHM COc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2)C(C)C)c1 ZINC000509405823 340268537 /nfs/dbraw/zinc/26/85/37/340268537.db2.gz SLJNWEQXPQZLPW-QGZVFWFLSA-N -1 3 313.397 3.570 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCCC2CCOCC2)n1 ZINC000510082449 340288057 /nfs/dbraw/zinc/28/80/57/340288057.db2.gz RCHJROMLWDVOCJ-UHFFFAOYSA-N -1 3 310.463 3.575 20 0 DHADHM CCC(CC)c1nnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000302999599 340293938 /nfs/dbraw/zinc/29/39/38/340293938.db2.gz YABIYZIYBIGISZ-UHFFFAOYSA-N -1 3 305.403 3.708 20 0 DHADHM COc1ccccc1C1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000510457482 340300116 /nfs/dbraw/zinc/30/01/16/340300116.db2.gz PDFWZRFZJCTSBT-UHFFFAOYSA-N -1 3 319.351 3.500 20 0 DHADHM Cc1ccc2c(CCNCc3c(F)ccc([O-])c3F)c[nH]c2c1 ZINC000510485363 340300765 /nfs/dbraw/zinc/30/07/65/340300765.db2.gz KRBIYWBGDCEFHR-UHFFFAOYSA-N -1 3 316.351 3.792 20 0 DHADHM Cc1ccccc1C1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000510520244 340301756 /nfs/dbraw/zinc/30/17/56/340301756.db2.gz YLCWNDWBPWBNCF-UHFFFAOYSA-N -1 3 303.352 3.800 20 0 DHADHM CC(C)(CNCc1c(F)ccc([O-])c1F)Oc1ccccc1 ZINC000511148657 340322456 /nfs/dbraw/zinc/32/24/56/340322456.db2.gz ZBQSPGQTWUDHGO-UHFFFAOYSA-N -1 3 307.340 3.618 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(c3cccc(F)c3)CC2)c1F ZINC000511192727 340323755 /nfs/dbraw/zinc/32/37/55/340323755.db2.gz RXODQDLCUSDVAL-UHFFFAOYSA-N -1 3 307.315 3.631 20 0 DHADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1[O-] ZINC000303577458 340335211 /nfs/dbraw/zinc/33/52/11/340335211.db2.gz ZPYVMMQBPQDPHB-LLVKDONJSA-N -1 3 323.314 3.772 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C)c1Cl ZINC000511942703 340343326 /nfs/dbraw/zinc/34/33/26/340343326.db2.gz MBLUUJGUBKUDPW-UHFFFAOYSA-N -1 3 310.246 3.626 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1 ZINC000172891452 340346226 /nfs/dbraw/zinc/34/62/26/340346226.db2.gz RCMWZHBYMPWAQR-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM [O-]c1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1Cl ZINC000512623429 340369743 /nfs/dbraw/zinc/36/97/43/340369743.db2.gz SIFRFHKSKCSZKC-SFHVURJKSA-N -1 3 315.800 3.677 20 0 DHADHM CC(C)(CNC(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000513196773 340396482 /nfs/dbraw/zinc/39/64/82/340396482.db2.gz JBDBSYPBPHXWOF-UHFFFAOYSA-N -1 3 309.837 3.921 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ccc(Cl)cc2F)no1 ZINC000184633725 340494586 /nfs/dbraw/zinc/49/45/86/340494586.db2.gz ZVNKBULDFJGJHQ-UHFFFAOYSA-N -1 3 314.769 3.973 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1c[nH]c2cccc(F)c21 ZINC000185161836 340498527 /nfs/dbraw/zinc/49/85/27/340498527.db2.gz OQZSJERMAXGZBM-UHFFFAOYSA-N -1 3 324.764 3.761 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc(F)cc2F)c2c([O-])cccc21 ZINC000186286984 340510545 /nfs/dbraw/zinc/51/05/45/340510545.db2.gz OFKRUWCNZUCTSK-SNVBAGLBSA-N -1 3 303.308 3.824 20 0 DHADHM C[C@H]1CCN(C(=O)CCOc2ccccc2)c2c([O-])cccc21 ZINC000186334165 340511304 /nfs/dbraw/zinc/51/13/04/340511304.db2.gz RJNXZVYPQVPZCR-AWEZNQCLSA-N -1 3 311.381 3.702 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(Br)c2)ccc1[O-] ZINC000226950787 340593412 /nfs/dbraw/zinc/59/34/12/340593412.db2.gz RONYZPBDFVISKL-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CN(Cc1ccccc1Cl)C(=O)c1cc([O-])ccc1Cl ZINC000234301903 340651925 /nfs/dbraw/zinc/65/19/25/340651925.db2.gz JVNWFDBJYICFTK-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235730418 340661429 /nfs/dbraw/zinc/66/14/29/340661429.db2.gz MLESXTIMOSKWJQ-LLVKDONJSA-N -1 3 301.773 3.885 20 0 DHADHM O=C(NCc1ccc(F)c(Cl)c1)c1cc([O-])ccc1Cl ZINC000236617181 340663146 /nfs/dbraw/zinc/66/31/46/340663146.db2.gz KLZLUPPVQLJILJ-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000525388970 340702315 /nfs/dbraw/zinc/70/23/15/340702315.db2.gz VPQGQTQGLWERFN-UWVGGRQHSA-N -1 3 307.868 3.649 20 0 DHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000074983576 340711352 /nfs/dbraw/zinc/71/13/52/340711352.db2.gz DFBDMYZYWNOVHG-UHFFFAOYSA-N -1 3 305.399 3.665 20 0 DHADHM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000529473971 340757077 /nfs/dbraw/zinc/75/70/77/340757077.db2.gz LBQOXMNSEOHGHD-VIFPVBQESA-N -1 3 312.207 3.558 20 0 DHADHM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000123461762 340785604 /nfs/dbraw/zinc/78/56/04/340785604.db2.gz VQIMPFNZDJSCFR-KRWDZBQOSA-N -1 3 311.381 3.768 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1[O-] ZINC000530340867 340788671 /nfs/dbraw/zinc/78/86/71/340788671.db2.gz PCKRRLSCWIVVSM-LBPRGKRZSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000538715985 340840115 /nfs/dbraw/zinc/84/01/15/340840115.db2.gz GCGZKGVUUSREEH-CYBMUJFWSA-N -1 3 311.381 3.595 20 0 DHADHM CC(=O)Nc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C ZINC000067138910 340855084 /nfs/dbraw/zinc/85/50/84/340855084.db2.gz KDCQACKUTOOFLE-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CCC(CC)(CN=c1nc(C)[n-]s1)N[C@@H](C)c1ccccc1 ZINC000538931746 340862813 /nfs/dbraw/zinc/86/28/13/340862813.db2.gz MBHFATBUFLFFBT-ZDUSSCGKSA-N -1 3 318.490 3.590 20 0 DHADHM CS[C@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000539110425 340873898 /nfs/dbraw/zinc/87/38/98/340873898.db2.gz IKDXIWNOQWWKGO-MRVPVSSYSA-N -1 3 318.236 3.625 20 0 DHADHM COc1c(C)cc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000539157904 340875078 /nfs/dbraw/zinc/87/50/78/340875078.db2.gz RSVZZDOQNGKULA-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCC[C@@]1(C(F)(F)F)CCCN1Cc1nc(C)ccc1[O-] ZINC000539857743 340906924 /nfs/dbraw/zinc/90/69/24/340906924.db2.gz DOOZSASQZFMKCS-AWEZNQCLSA-N -1 3 302.340 3.793 20 0 DHADHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000541170790 340960481 /nfs/dbraw/zinc/96/04/81/340960481.db2.gz RKOHVRWFZFYYFX-LLVKDONJSA-N -1 3 305.374 3.959 20 0 DHADHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000130254649 341009579 /nfs/dbraw/zinc/00/95/79/341009579.db2.gz QPOFFYBYJOKMOF-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCCCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000130258283 341010141 /nfs/dbraw/zinc/01/01/41/341010141.db2.gz HBBSXBAABIUVFA-UHFFFAOYSA-N -1 3 313.397 3.843 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ccccc2CC1 ZINC000543590854 341049665 /nfs/dbraw/zinc/04/96/65/341049665.db2.gz WZJWTLIIVGYXOH-UHFFFAOYSA-N -1 3 321.420 3.512 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(C)c1[O-] ZINC000130921403 341054200 /nfs/dbraw/zinc/05/42/00/341054200.db2.gz GWCUTIRFKWKJJH-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000131009911 341056285 /nfs/dbraw/zinc/05/62/85/341056285.db2.gz SVDKAFUUAPAZEX-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc1 ZINC000131028014 341056659 /nfs/dbraw/zinc/05/66/59/341056659.db2.gz CTVUJBPQPKWZDL-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H]1CC=CCC1 ZINC000544107364 341070302 /nfs/dbraw/zinc/07/03/02/341070302.db2.gz JXFJTKMWSHZDMJ-ZDUSSCGKSA-N -1 3 323.396 3.870 20 0 DHADHM COc1ccc(CN(C)c2ccccc2)c(Br)c1[O-] ZINC000544944020 341100550 /nfs/dbraw/zinc/10/05/50/341100550.db2.gz YLRNFILZQSJHQE-UHFFFAOYSA-N -1 3 322.202 3.800 20 0 DHADHM C[C@@H]1C[C@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)CCO1 ZINC000545797904 341141461 /nfs/dbraw/zinc/14/14/61/341141461.db2.gz IRLYGFCSDVAOCX-BXUZGUMPSA-N -1 3 314.385 3.604 20 0 DHADHM CCc1noc(CC)c1CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000133119152 341156129 /nfs/dbraw/zinc/15/61/29/341156129.db2.gz MNEHPAQQBRMKPX-UHFFFAOYSA-N -1 3 322.792 3.648 20 0 DHADHM CCCN(CCC)Cc1ccc(OC)c([O-])c1Br ZINC000546963494 341188944 /nfs/dbraw/zinc/18/89/44/341188944.db2.gz OIDVGOHLEZJINU-UHFFFAOYSA-N -1 3 316.239 3.785 20 0 DHADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ncccc1[O-] ZINC000564312563 341191688 /nfs/dbraw/zinc/19/16/88/341191688.db2.gz FNOAWQRDCIFJKX-LBPRGKRZSA-N -1 3 324.346 3.869 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000133848621 341193429 /nfs/dbraw/zinc/19/34/29/341193429.db2.gz BOPVTJIOQVGLFX-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000549451758 341294876 /nfs/dbraw/zinc/29/48/76/341294876.db2.gz GWWAJNMSONFVIE-KRWDZBQOSA-N -1 3 307.315 3.741 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081711382 341303039 /nfs/dbraw/zinc/30/30/39/341303039.db2.gz ORJLCIJGDHQKCF-UHFFFAOYSA-N -1 3 321.336 3.572 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(Oc3cccnn3)c2)c1 ZINC000081740132 341304381 /nfs/dbraw/zinc/30/43/81/341304381.db2.gz ZNIBDRKLNVEYOZ-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1Cl ZINC000550127159 341310746 /nfs/dbraw/zinc/31/07/46/341310746.db2.gz XWGFNUBLLFOZTI-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1Cl ZINC000550127159 341310747 /nfs/dbraw/zinc/31/07/47/341310747.db2.gz XWGFNUBLLFOZTI-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C ZINC000248722305 341385172 /nfs/dbraw/zinc/38/51/72/341385172.db2.gz GZLLVDHMXZEKND-ISTVAULSSA-N -1 3 315.335 3.966 20 0 DHADHM CCc1cccc(C(=O)Nc2ccccc2OC(F)F)c1[O-] ZINC000552356505 341388719 /nfs/dbraw/zinc/38/87/19/341388719.db2.gz XIERCAKFDLCHII-UHFFFAOYSA-N -1 3 307.296 3.808 20 0 DHADHM CCC(=O)Nc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552434112 341393527 /nfs/dbraw/zinc/39/35/27/341393527.db2.gz BYBVPFQELJWMRI-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM CC(C)(C)c1cnc(CCC(=O)Nc2c([O-])cccc2Cl)o1 ZINC000552783412 341404273 /nfs/dbraw/zinc/40/42/73/341404273.db2.gz UUWWYIIHXYECDH-UHFFFAOYSA-N -1 3 322.792 3.902 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C1CC1 ZINC000089847625 341410065 /nfs/dbraw/zinc/41/00/65/341410065.db2.gz PBOKPYHVXGSKEB-JTQLQIEISA-N -1 3 317.364 3.829 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC=C(c3cccc(C)c3)CC2)c1 ZINC000092517915 341449325 /nfs/dbraw/zinc/44/93/25/341449325.db2.gz JRNBHTDTQPGUNL-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM CCc1cccc(-c2nc(COc3cccc(F)c3)no2)c1[O-] ZINC000555861623 341490921 /nfs/dbraw/zinc/49/09/21/341490921.db2.gz YHYKNKWPOOOEKT-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000556064813 341493338 /nfs/dbraw/zinc/49/33/38/341493338.db2.gz NKZSLMHFJKFRIQ-QLJPJBMISA-N -1 3 301.773 3.709 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000567335781 341596326 /nfs/dbraw/zinc/59/63/26/341596326.db2.gz DYIPXGBPXJALKD-IVMMDQJWSA-N -1 3 305.393 3.501 20 0 DHADHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000567365519 341598917 /nfs/dbraw/zinc/59/89/17/341598917.db2.gz DKJVRSCEUFPQJH-RISCZKNCSA-N -1 3 311.809 3.825 20 0 DHADHM C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000155303776 341605892 /nfs/dbraw/zinc/60/58/92/341605892.db2.gz KXMIDNVGUWJJCI-SGTLLEGYSA-N -1 3 315.800 3.808 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1F ZINC000313234260 341634368 /nfs/dbraw/zinc/63/43/68/341634368.db2.gz XKUQJSKSILDYHT-KRWDZBQOSA-N -1 3 319.401 3.564 20 0 DHADHM O=C([O-])C1(CNCc2ccc(Oc3ccccc3)o2)CCCC1 ZINC000568582908 341675606 /nfs/dbraw/zinc/67/56/06/341675606.db2.gz FUKZFYNDHBWHMJ-UHFFFAOYSA-N -1 3 315.369 3.807 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@](F)(c2ccccc2)C1 ZINC000573943018 341743926 /nfs/dbraw/zinc/74/39/26/341743926.db2.gz OSFKYHITJZTNBU-KRWDZBQOSA-N -1 3 319.763 3.757 20 0 DHADHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000577186334 341895238 /nfs/dbraw/zinc/89/52/38/341895238.db2.gz VNJSULJGXHFEOU-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000178326360 341951719 /nfs/dbraw/zinc/95/17/19/341951719.db2.gz HZAVRRQPCBBVCS-PWSUYJOCSA-N -1 3 307.271 3.552 20 0 DHADHM CC[C@H]1CCc2nc([N-]c3ncnc4ncccc34)sc2C1 ZINC000178868974 341968270 /nfs/dbraw/zinc/96/82/70/341968270.db2.gz ORFFGTQRYKZHRF-JTQLQIEISA-N -1 3 311.414 3.740 20 0 DHADHM Cc1c(Cl)cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000195206842 518185947 /nfs/dbraw/zinc/18/59/47/518185947.db2.gz AOLDQQITNRSCSE-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM CCCn1ccc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc21 ZINC000156082544 521658928 /nfs/dbraw/zinc/65/89/28/521658928.db2.gz CZRHSEQLAUMPBG-INIZCTEOSA-N -1 3 317.389 3.631 20 0 DHADHM CCCn1ccc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc21 ZINC000156082544 521658930 /nfs/dbraw/zinc/65/89/30/521658930.db2.gz CZRHSEQLAUMPBG-INIZCTEOSA-N -1 3 317.389 3.631 20 0 DHADHM CC[C@@H](C)C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000265836525 521902582 /nfs/dbraw/zinc/90/25/82/521902582.db2.gz NHDFEPVANRXXPP-MRVPVSSYSA-N -1 3 322.455 3.593 20 0 DHADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc([O-])c1)CCC2 ZINC000182816384 522471735 /nfs/dbraw/zinc/47/17/35/522471735.db2.gz CLRCJEWOSQOLDD-AWEZNQCLSA-N -1 3 316.426 3.561 20 0 DHADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc([O-])c1)CCC2 ZINC000182816363 522478981 /nfs/dbraw/zinc/47/89/81/522478981.db2.gz CLRCJEWOSQOLDD-CQSZACIVSA-N -1 3 316.426 3.561 20 0 DHADHM CCc1cc(C(=O)NCc2ncoc2-c2ccccc2)ccc1[O-] ZINC000365988823 523770586 /nfs/dbraw/zinc/77/05/86/523770586.db2.gz CAUCZNDBLDYJAH-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cccc3ccccc32)n1 ZINC000181654465 523835077 /nfs/dbraw/zinc/83/50/77/523835077.db2.gz SWNVLYHKDLMRDS-ZDUSSCGKSA-N -1 3 307.397 3.749 20 0 DHADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cscn3)s2)c1 ZINC000115150596 524353910 /nfs/dbraw/zinc/35/39/10/524353910.db2.gz AVHCPNFFJXIMPX-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(O)cc3[O-])CC2)c1 ZINC000180806247 524370782 /nfs/dbraw/zinc/37/07/82/524370782.db2.gz QEQPQOQBAMYQJM-UHFFFAOYSA-N -1 3 323.392 3.644 20 0 DHADHM Cc1cc(C)cc([C@H](C)NCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000182907261 524471028 /nfs/dbraw/zinc/47/10/28/524471028.db2.gz HHJJBPIHAOMXDY-AWEZNQCLSA-N -1 3 323.392 3.966 20 0 DHADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000180451200 524897323 /nfs/dbraw/zinc/89/73/23/524897323.db2.gz AAMUNNJALWLGPJ-VIFPVBQESA-N -1 3 313.184 3.713 20 0 DHADHM Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c([O-])c1 ZINC000122611378 525255891 /nfs/dbraw/zinc/25/58/91/525255891.db2.gz FMRGYUANNDEUNB-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM Cc1cc([C@H]2CCN(C(=O)c3ccc(C)cc3[O-])C2)cs1 ZINC000364905367 525549542 /nfs/dbraw/zinc/54/95/42/525549542.db2.gz JKOJDWVUIIBIJV-ZDUSSCGKSA-N -1 3 301.411 3.700 20 0 DHADHM Cc1c(NC([O-])=NO[C@H]2CCCCO2)cccc1C(F)(F)F ZINC000162854421 525848096 /nfs/dbraw/zinc/84/80/96/525848096.db2.gz PKUNTAWDQPXLFE-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1c(NC(=O)[N-]O[C@H]2CCCCO2)cccc1C(F)(F)F ZINC000162854421 525848108 /nfs/dbraw/zinc/84/81/08/525848108.db2.gz PKUNTAWDQPXLFE-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM [O-]c1cccc(CNCc2ccccc2-n2ccnc2)c1Cl ZINC000339205778 526360234 /nfs/dbraw/zinc/36/02/34/526360234.db2.gz PGMBDQKLYHFANE-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM c1csc(-c2nc(C[N-]c3nc(C4CC4)no3)cs2)c1 ZINC000181984200 526574789 /nfs/dbraw/zinc/57/47/89/526574789.db2.gz WTMRPJIKMVEUTM-UHFFFAOYSA-N -1 3 304.400 3.744 20 0 DHADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1C ZINC000267132988 526640111 /nfs/dbraw/zinc/64/01/11/526640111.db2.gz WJGHNGLQIKIJHZ-LLVKDONJSA-N -1 3 308.765 3.659 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000267379003 527127041 /nfs/dbraw/zinc/12/70/41/527127041.db2.gz UHIVOXZKINSJQF-RKDXNWHRSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1ncc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)s1 ZINC000337309123 527299612 /nfs/dbraw/zinc/29/96/12/527299612.db2.gz YRFVWJAGQAVONT-UHFFFAOYSA-N -1 3 318.789 3.747 20 0 DHADHM O=C([N-]c1cccc(Cl)c1F)c1nc2cccnc2s1 ZINC000338166272 527347412 /nfs/dbraw/zinc/34/74/12/527347412.db2.gz PVBKUMUIMLDFFU-UHFFFAOYSA-N -1 3 307.737 3.736 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1nc2cccnc2s1 ZINC000338165543 527516283 /nfs/dbraw/zinc/51/62/83/527516283.db2.gz SYMLHJQUVGHTER-UHFFFAOYSA-N -1 3 312.379 3.553 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@H](CCOC)c1ccccc1 ZINC000340547186 535137558 /nfs/dbraw/zinc/13/75/58/535137558.db2.gz XZZRBIDQBHPCJW-CQSZACIVSA-N -1 3 321.446 3.654 20 0 DHADHM Clc1cc(N2CCC3(C2)CCCCC3)ccc1-c1nnn[n-]1 ZINC000822567835 599051762 /nfs/dbraw/zinc/05/17/62/599051762.db2.gz IDIZJPHMYKXNAI-UHFFFAOYSA-N -1 3 317.824 3.681 20 0 DHADHM Clc1cc(N2CCC3(C2)CCCCC3)ccc1-c1nn[n-]n1 ZINC000822567835 599051764 /nfs/dbraw/zinc/05/17/64/599051764.db2.gz IDIZJPHMYKXNAI-UHFFFAOYSA-N -1 3 317.824 3.681 20 0 DHADHM Fc1cccc(N[C@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000822791542 599054212 /nfs/dbraw/zinc/05/42/12/599054212.db2.gz JCTZYGJECYKSGT-MRXNPFEDSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1cccc(N[C@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000822791542 599054216 /nfs/dbraw/zinc/05/42/16/599054216.db2.gz JCTZYGJECYKSGT-MRXNPFEDSA-N -1 3 323.375 3.959 20 0 DHADHM CCCOc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821133620 607313088 /nfs/dbraw/zinc/31/30/88/607313088.db2.gz BYRUYOYCSZABSY-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM CCCOc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821133620 607313089 /nfs/dbraw/zinc/31/30/89/607313089.db2.gz BYRUYOYCSZABSY-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM C[C@H](Oc1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174906 599286591 /nfs/dbraw/zinc/28/65/91/599286591.db2.gz PKFBVQUFTRTHBB-VIFPVBQESA-N -1 3 318.739 3.799 20 0 DHADHM C[C@H](Oc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174906 599286593 /nfs/dbraw/zinc/28/65/93/599286593.db2.gz PKFBVQUFTRTHBB-VIFPVBQESA-N -1 3 318.739 3.799 20 0 DHADHM C[C@H](Sc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193954 599287707 /nfs/dbraw/zinc/28/77/07/599287707.db2.gz VLZGPVFLPABEPM-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193954 599287709 /nfs/dbraw/zinc/28/77/09/599287709.db2.gz VLZGPVFLPABEPM-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cnc2ccsc2c1 ZINC000820147807 598192437 /nfs/dbraw/zinc/19/24/37/598192437.db2.gz GYYLDOKIDGCORA-LLVKDONJSA-N -1 3 312.394 3.845 20 0 DHADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000735735377 598235661 /nfs/dbraw/zinc/23/56/61/598235661.db2.gz TWPLDNMBHKDAIT-MRXNPFEDSA-N -1 3 311.364 3.815 20 0 DHADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000735735377 598235663 /nfs/dbraw/zinc/23/56/63/598235663.db2.gz TWPLDNMBHKDAIT-MRXNPFEDSA-N -1 3 311.364 3.815 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737419746 598240669 /nfs/dbraw/zinc/24/06/69/598240669.db2.gz BERUUARNHZQCBQ-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737419746 598240670 /nfs/dbraw/zinc/24/06/70/598240670.db2.gz BERUUARNHZQCBQ-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(C)C ZINC000736335173 598277460 /nfs/dbraw/zinc/27/74/60/598277460.db2.gz YNRPXRIQDONCGE-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(C)C ZINC000736335173 598277463 /nfs/dbraw/zinc/27/74/63/598277463.db2.gz YNRPXRIQDONCGE-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1csc2ccccc12 ZINC000736134350 598362667 /nfs/dbraw/zinc/36/26/67/598362667.db2.gz CGAFNJVKUBIFOA-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1csc2ccccc12 ZINC000736134350 598362668 /nfs/dbraw/zinc/36/26/68/598362668.db2.gz CGAFNJVKUBIFOA-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736445709 598494821 /nfs/dbraw/zinc/49/48/21/598494821.db2.gz MJXCFZXOAICENG-NSHDSACASA-N -1 3 321.450 3.863 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736445709 598494822 /nfs/dbraw/zinc/49/48/22/598494822.db2.gz MJXCFZXOAICENG-NSHDSACASA-N -1 3 321.450 3.863 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735993436 598506561 /nfs/dbraw/zinc/50/65/61/598506561.db2.gz RYBFOTVWPDYTOF-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735993436 598506563 /nfs/dbraw/zinc/50/65/63/598506563.db2.gz RYBFOTVWPDYTOF-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM c1ccc(SC2(CNc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738432476 598594685 /nfs/dbraw/zinc/59/46/85/598594685.db2.gz GGENVKKPCZISFH-UHFFFAOYSA-N -1 3 323.425 3.604 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000736136170 598629800 /nfs/dbraw/zinc/62/98/00/598629800.db2.gz DNTOWHUJHQZDPB-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000736136170 598629802 /nfs/dbraw/zinc/62/98/02/598629802.db2.gz DNTOWHUJHQZDPB-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cccs1 ZINC000736136788 598791101 /nfs/dbraw/zinc/79/11/01/598791101.db2.gz HMAOSNPZXDYGJY-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cccs1 ZINC000736136788 598791102 /nfs/dbraw/zinc/79/11/02/598791102.db2.gz HMAOSNPZXDYGJY-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736624706 599324045 /nfs/dbraw/zinc/32/40/45/599324045.db2.gz FPCSKKIBHBRTFB-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736624706 599324048 /nfs/dbraw/zinc/32/40/48/599324048.db2.gz FPCSKKIBHBRTFB-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821143043 599363047 /nfs/dbraw/zinc/36/30/47/599363047.db2.gz PNDMLQHZAZWQBZ-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821143043 599363050 /nfs/dbraw/zinc/36/30/50/599363050.db2.gz PNDMLQHZAZWQBZ-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000821400561 599373840 /nfs/dbraw/zinc/37/38/40/599373840.db2.gz LLGXEZOVOBJFCO-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000821400561 599373842 /nfs/dbraw/zinc/37/38/42/599373842.db2.gz LLGXEZOVOBJFCO-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737182255 599441759 /nfs/dbraw/zinc/44/17/59/599441759.db2.gz YJHGPFHBSQZRDC-QWRGUYRKSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737182255 599441761 /nfs/dbraw/zinc/44/17/61/599441761.db2.gz YJHGPFHBSQZRDC-QWRGUYRKSA-N -1 3 323.853 3.606 20 0 DHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CCCCC1 ZINC000737628045 599519392 /nfs/dbraw/zinc/51/93/92/599519392.db2.gz UWBCXPBBUWPZDT-UHFFFAOYSA-N -1 3 311.311 3.630 20 0 DHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000736392336 599520545 /nfs/dbraw/zinc/52/05/45/599520545.db2.gz QTEVGRZRCSUFQZ-ZDUSSCGKSA-N -1 3 315.377 3.644 20 0 DHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000736392336 599520547 /nfs/dbraw/zinc/52/05/47/599520547.db2.gz QTEVGRZRCSUFQZ-ZDUSSCGKSA-N -1 3 315.377 3.644 20 0 DHADHM C[C@@H](SCc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736192057 599521938 /nfs/dbraw/zinc/52/19/38/599521938.db2.gz KPDNSIIMAIOMOK-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM C[C@@H](SCc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736192057 599521941 /nfs/dbraw/zinc/52/19/41/599521941.db2.gz KPDNSIIMAIOMOK-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821950929 599562332 /nfs/dbraw/zinc/56/23/32/599562332.db2.gz SINMGXRDTWUWGU-VHSXEESVSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821950929 599562334 /nfs/dbraw/zinc/56/23/34/599562334.db2.gz SINMGXRDTWUWGU-VHSXEESVSA-N -1 3 323.853 3.606 20 0 DHADHM COc1c(C)cc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000580955663 599719666 /nfs/dbraw/zinc/71/96/66/599719666.db2.gz LRFNDUURIWBUPT-CYBMUJFWSA-N -1 3 317.385 3.796 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000739500544 599787615 /nfs/dbraw/zinc/78/76/15/599787615.db2.gz OPEZFHHBWMPWLN-AWEZNQCLSA-N -1 3 323.364 3.917 20 0 DHADHM CC(C)CCOC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000736432230 600085185 /nfs/dbraw/zinc/08/51/85/600085185.db2.gz TXUDCCGDTICLQK-UHFFFAOYSA-N -1 3 323.408 3.551 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccccc2F)CC1 ZINC000738958162 600217721 /nfs/dbraw/zinc/21/77/21/600217721.db2.gz SUMQYGYYTKUICW-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM O=C([O-])C1(NCc2csc(C3CCCC3)n2)CCCCC1 ZINC000739519564 600319770 /nfs/dbraw/zinc/31/97/70/600319770.db2.gz IIMKYISPWNUNJQ-UHFFFAOYSA-N -1 3 308.447 3.678 20 0 DHADHM CCC[C@@](C)(NCc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000314309895 600322177 /nfs/dbraw/zinc/32/21/77/600322177.db2.gz WNHPVHDDFSKXPS-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(Cc3ccccc3F)CC2)o1 ZINC000652435555 600337876 /nfs/dbraw/zinc/33/78/76/600337876.db2.gz QHJGYJHMJWKQQD-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736493797 600425422 /nfs/dbraw/zinc/42/54/22/600425422.db2.gz ALQSIMVXCWXHRQ-QGZVFWFLSA-N -1 3 317.360 3.528 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000739505652 600428341 /nfs/dbraw/zinc/42/83/41/600428341.db2.gz DOOHNTREBVOWPD-CVEARBPZSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000739505655 600428626 /nfs/dbraw/zinc/42/86/26/600428626.db2.gz DOOHNTREBVOWPD-HZPDHXFCSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@H](NCc1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000739499773 600431119 /nfs/dbraw/zinc/43/11/19/600431119.db2.gz JWRRUAZCCLFKKK-MRXNPFEDSA-N -1 3 314.772 3.737 20 0 DHADHM C[C@H]1C[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000568066981 600716273 /nfs/dbraw/zinc/71/62/73/600716273.db2.gz IZJPJZSIZYXJCH-RYUDHWBXSA-N -1 3 316.426 3.739 20 0 DHADHM CCc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830236976 600732390 /nfs/dbraw/zinc/73/23/90/600732390.db2.gz FJLOFHDEGQAKPC-SJKOYZFVSA-N -1 3 301.361 3.865 20 0 DHADHM C[C@H]1C[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000515660336 600831263 /nfs/dbraw/zinc/83/12/63/600831263.db2.gz WNOCHRNVIIPIAJ-RYUDHWBXSA-N -1 3 316.426 3.739 20 0 DHADHM O=C([O-])c1coc(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000579364368 600846783 /nfs/dbraw/zinc/84/67/83/600846783.db2.gz FYBJSLXSSNCQLO-CYBMUJFWSA-N -1 3 317.410 3.592 20 0 DHADHM CC(C)[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826717625 600983486 /nfs/dbraw/zinc/98/34/86/600983486.db2.gz UECYPTSDURBGGW-SJORKVTESA-N -1 3 301.361 3.938 20 0 DHADHM C[C@@H]1[C@@H](C)CCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000828295551 601566762 /nfs/dbraw/zinc/56/67/62/601566762.db2.gz JPUDHUZFSFZLRH-NWDGAFQWSA-N -1 3 316.426 3.739 20 0 DHADHM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC000830075172 601614252 /nfs/dbraw/zinc/61/42/52/601614252.db2.gz KFUXOQLHABMBKX-UHFFFAOYSA-N -1 3 319.426 3.785 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCCc2sccc2C1 ZINC000833032505 601633487 /nfs/dbraw/zinc/63/34/87/601633487.db2.gz IFFWZMYNHPMBNN-UHFFFAOYSA-N -1 3 307.440 3.765 20 0 DHADHM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1ccc(F)cc1 ZINC000826951456 601810394 /nfs/dbraw/zinc/81/03/94/601810394.db2.gz JJLCDBACNKGHQL-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM O=C([O-])CC1(NCc2coc(-c3cccs3)n2)CCCCC1 ZINC000833205351 601879175 /nfs/dbraw/zinc/87/91/75/601879175.db2.gz ACCDGHCQUJEUST-UHFFFAOYSA-N -1 3 320.414 3.670 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(OC3CCCCC3)CC2)s1 ZINC000833313543 601949027 /nfs/dbraw/zinc/94/90/27/601949027.db2.gz YPKQXTCRKDDRDJ-UHFFFAOYSA-N -1 3 323.458 3.760 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)[O-])s1)CCC2 ZINC000652413343 601954546 /nfs/dbraw/zinc/95/45/46/601954546.db2.gz RLTJIVJXOHAQKD-LBPRGKRZSA-N -1 3 322.455 3.721 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833168698 601980921 /nfs/dbraw/zinc/98/09/21/601980921.db2.gz ZHIRSJAXMFKCGQ-LDYMZIIASA-N -1 3 324.154 3.897 20 0 DHADHM CC(C)[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1 ZINC000824144408 603532355 /nfs/dbraw/zinc/53/23/55/603532355.db2.gz XUTOYUZYLCMGHU-INIZCTEOSA-N -1 3 317.364 3.798 20 0 DHADHM CC(C)(NCc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000824034926 603553521 /nfs/dbraw/zinc/55/35/21/603553521.db2.gz KLOXWKWRCFCOFT-UHFFFAOYSA-N -1 3 319.792 3.850 20 0 DHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C(C)C)c1 ZINC000826250876 607650101 /nfs/dbraw/zinc/65/01/01/607650101.db2.gz WWHLKUDDXBAADM-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C(C)C)c1 ZINC000826250876 607650103 /nfs/dbraw/zinc/65/01/03/607650103.db2.gz WWHLKUDDXBAADM-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccc(-c2ccccc2)o1 ZINC000827717206 604292616 /nfs/dbraw/zinc/29/26/16/604292616.db2.gz FKFJURKGHPYUQB-HIFRSBDPSA-N -1 3 314.385 3.740 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc2ccccc2c1 ZINC000827717723 604985688 /nfs/dbraw/zinc/98/56/88/604985688.db2.gz LHZSIIGGCKIGGO-ACJLOTCBSA-N -1 3 306.365 3.711 20 0 DHADHM CC1(C)CC[C@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000828060194 604996852 /nfs/dbraw/zinc/99/68/52/604996852.db2.gz KNDAVLHRCKBEPB-DLBZAZTESA-N -1 3 310.397 3.610 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000833415764 605183600 /nfs/dbraw/zinc/18/36/00/605183600.db2.gz VAIKQOAMKTXOQM-INIZCTEOSA-N -1 3 319.351 3.907 20 0 DHADHM C[C@H]1C[C@H](C)CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000572370635 605203577 /nfs/dbraw/zinc/20/35/77/605203577.db2.gz YVHSXJBNBHGADX-STQMWFEESA-N -1 3 314.385 3.518 20 0 DHADHM C[C@]1(NCc2ncc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833570413 605243375 /nfs/dbraw/zinc/24/33/75/605243375.db2.gz SPPOWLKCQVXZFA-HZMBPMFUSA-N -1 3 317.216 3.512 20 0 DHADHM O=C([O-])Nc1cccc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000834269963 605607099 /nfs/dbraw/zinc/60/70/99/605607099.db2.gz ZDPSLSNXQMOZNY-UHFFFAOYSA-N -1 3 300.333 3.695 20 0 DHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccsc1C(=O)[O-] ZINC000833605161 605701475 /nfs/dbraw/zinc/70/14/75/605701475.db2.gz IFTVKTNWJOLICM-PSASIEDQSA-N -1 3 307.337 3.609 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833669423 605835269 /nfs/dbraw/zinc/83/52/69/605835269.db2.gz WUNCYFAWIJPLCM-UONOGXRCSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820826238 606137360 /nfs/dbraw/zinc/13/73/60/606137360.db2.gz LOBBPQIAMYCUAA-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820826238 606137361 /nfs/dbraw/zinc/13/73/61/606137361.db2.gz LOBBPQIAMYCUAA-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820825941 606137366 /nfs/dbraw/zinc/13/73/66/606137366.db2.gz HUOSDPVYOACZAU-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820825941 606137367 /nfs/dbraw/zinc/13/73/67/606137367.db2.gz HUOSDPVYOACZAU-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822786482 606329663 /nfs/dbraw/zinc/32/96/63/606329663.db2.gz LBTSZIOVSOXTBO-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822786482 606329665 /nfs/dbraw/zinc/32/96/65/606329665.db2.gz LBTSZIOVSOXTBO-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822192103 606430800 /nfs/dbraw/zinc/43/08/00/606430800.db2.gz ZAICRSARKHADIV-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1csc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822414465 606695114 /nfs/dbraw/zinc/69/51/14/606695114.db2.gz HEFCYARVKFKXOD-SNVBAGLBSA-N -1 3 317.443 3.626 20 0 DHADHM Cc1csc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414465 606695115 /nfs/dbraw/zinc/69/51/15/606695115.db2.gz HEFCYARVKFKXOD-SNVBAGLBSA-N -1 3 317.443 3.626 20 0 DHADHM c1c2ccccc2oc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000823761972 607170012 /nfs/dbraw/zinc/17/00/12/607170012.db2.gz CJFWEVCTPMLLJV-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM c1c2ccccc2oc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000823761972 607170013 /nfs/dbraw/zinc/17/00/13/607170013.db2.gz CJFWEVCTPMLLJV-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820055911 607242067 /nfs/dbraw/zinc/24/20/67/607242067.db2.gz LNKPOHLRIPIHGU-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820055911 607242068 /nfs/dbraw/zinc/24/20/68/607242068.db2.gz LNKPOHLRIPIHGU-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825717083 607784926 /nfs/dbraw/zinc/78/49/26/607784926.db2.gz FOOSKKDKHIOSDT-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825717083 607784927 /nfs/dbraw/zinc/78/49/27/607784927.db2.gz FOOSKKDKHIOSDT-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Clc1oc2ccccc2c1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000826354835 608048165 /nfs/dbraw/zinc/04/81/65/608048165.db2.gz XGIYBLNLNFAEMD-BQYQJAHWSA-N -1 3 323.743 3.832 20 0 DHADHM Clc1oc2ccccc2c1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000826354835 608048166 /nfs/dbraw/zinc/04/81/66/608048166.db2.gz XGIYBLNLNFAEMD-BQYQJAHWSA-N -1 3 323.743 3.832 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000826232284 608417870 /nfs/dbraw/zinc/41/78/70/608417870.db2.gz ROFYJHJZHRVGED-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cccnc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308279 609183986 /nfs/dbraw/zinc/18/39/86/609183986.db2.gz RHVXXEYLGLOGGZ-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cccnc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308279 609183987 /nfs/dbraw/zinc/18/39/87/609183987.db2.gz RHVXXEYLGLOGGZ-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824649860 609273330 /nfs/dbraw/zinc/27/33/30/609273330.db2.gz NNYBUBXYDKVBHQ-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824649860 609273331 /nfs/dbraw/zinc/27/33/31/609273331.db2.gz NNYBUBXYDKVBHQ-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826268260 609273968 /nfs/dbraw/zinc/27/39/68/609273968.db2.gz PVWNWUPRYRAYMR-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826268260 609273969 /nfs/dbraw/zinc/27/39/69/609273969.db2.gz PVWNWUPRYRAYMR-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM C[C@@H](Nc1ccc2ncsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662547 609276080 /nfs/dbraw/zinc/27/60/80/609276080.db2.gz MPWLZGFBIXSLKO-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc2ncsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662547 609276082 /nfs/dbraw/zinc/27/60/82/609276082.db2.gz MPWLZGFBIXSLKO-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826240753 609349809 /nfs/dbraw/zinc/34/98/09/609349809.db2.gz GNHSYMMDKQVAFZ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1c(F)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826240753 609349811 /nfs/dbraw/zinc/34/98/11/609349811.db2.gz GNHSYMMDKQVAFZ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccccc1C ZINC000824019752 609419710 /nfs/dbraw/zinc/41/97/10/609419710.db2.gz NDGYEHNAWXPIGV-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccccc1C ZINC000824019752 609419712 /nfs/dbraw/zinc/41/97/12/609419712.db2.gz NDGYEHNAWXPIGV-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1cc(F)ccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000826269069 609490724 /nfs/dbraw/zinc/49/07/24/609490724.db2.gz ZEMGRELHKYBEJI-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cc(F)ccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000826269069 609490727 /nfs/dbraw/zinc/49/07/27/609490727.db2.gz ZEMGRELHKYBEJI-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1 ZINC000180168890 1013059798 /nfs/dbraw/zinc/05/97/98/1013059798.db2.gz WAKJQZXZPVAPPC-UHFFFAOYSA-N -1 3 322.405 3.610 20 0 DHADHM c1cc(CCCSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826516145 948442415 /nfs/dbraw/zinc/44/24/15/948442415.db2.gz YMSWVEXNVKNGQQ-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM c1cc(CCCSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826516145 948442419 /nfs/dbraw/zinc/44/24/19/948442419.db2.gz YMSWVEXNVKNGQQ-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM C[C@]1(c2ccccc2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575856847 949256004 /nfs/dbraw/zinc/25/60/04/949256004.db2.gz KSJCWDAFLVXLAF-GOSISDBHSA-N -1 3 323.375 3.521 20 0 DHADHM C[C@]1(c2ccccc2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575856847 949256015 /nfs/dbraw/zinc/25/60/15/949256015.db2.gz KSJCWDAFLVXLAF-GOSISDBHSA-N -1 3 323.375 3.521 20 0 DHADHM C[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC001576216077 950723442 /nfs/dbraw/zinc/72/34/42/950723442.db2.gz YKZKENMOZWUAQI-LBPRGKRZSA-N -1 3 323.375 3.520 20 0 DHADHM C[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC001576216077 950723455 /nfs/dbraw/zinc/72/34/55/950723455.db2.gz YKZKENMOZWUAQI-LBPRGKRZSA-N -1 3 323.375 3.520 20 0 DHADHM CCc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])s1)CCO2 ZINC001593640124 953639005 /nfs/dbraw/zinc/63/90/05/953639005.db2.gz PAUGWMDTCMJEQK-AWEZNQCLSA-N -1 3 317.410 3.622 20 0 DHADHM O=C(CCOc1ccc(F)cc1Cl)[N-]OC1CCCCC1 ZINC000777965678 1032060679 /nfs/dbraw/zinc/06/06/79/1032060679.db2.gz USJWNSOAFUOOCM-UHFFFAOYSA-N -1 3 315.772 3.629 20 0 DHADHM C[C@H]1CN(CCc2c(Cl)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589400421 954420440 /nfs/dbraw/zinc/42/04/40/954420440.db2.gz PZAKIQIRGSIPJN-QWRGUYRKSA-N -1 3 316.228 3.579 20 0 DHADHM O=C([O-])[C@H]1CN(CCc2cccc(Cl)c2)Cc2ccccc21 ZINC000901622990 956383535 /nfs/dbraw/zinc/38/35/35/956383535.db2.gz PTQAQEAFXZORTI-KRWDZBQOSA-N -1 3 315.800 3.567 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)s1 ZINC000903682767 956861231 /nfs/dbraw/zinc/86/12/31/956861231.db2.gz ZCFAPHHLSSCHBU-ZDUSSCGKSA-N -1 3 321.373 3.589 20 0 DHADHM COc1ccc(C(C)C)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000905372852 956974281 /nfs/dbraw/zinc/97/42/81/956974281.db2.gz MNQPJEGMANMDIU-SFHVURJKSA-N -1 3 313.397 3.734 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)c(F)c1 ZINC000086725151 957975820 /nfs/dbraw/zinc/97/58/20/957975820.db2.gz GXAOSAHSFAMFNY-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM O=C([O-])c1csc(CN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000095004634 958327001 /nfs/dbraw/zinc/32/70/01/958327001.db2.gz XQQYNTHQAYXNNV-ZDUSSCGKSA-N -1 3 323.414 3.912 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(C(C)C)nn1 ZINC000339961428 1013173920 /nfs/dbraw/zinc/17/39/20/1013173920.db2.gz KFANSTUYBUGRGI-UHFFFAOYSA-N -1 3 324.837 3.877 20 0 DHADHM COc1ccccc1CN(CCCC(=O)[O-])Cc1cccs1 ZINC000116348661 958458524 /nfs/dbraw/zinc/45/85/24/958458524.db2.gz HDCOCUSGQVEVNB-UHFFFAOYSA-N -1 3 319.426 3.624 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)Cc2ccccc21 ZINC001231465199 960617184 /nfs/dbraw/zinc/61/71/84/960617184.db2.gz FMUKXBMQEXKIBR-UHFFFAOYSA-N -1 3 301.411 3.740 20 0 DHADHM O=C([O-])[C@@H](c1ccccc1Cl)N1CCC(c2ccco2)CC1 ZINC001261578554 960748549 /nfs/dbraw/zinc/74/85/49/960748549.db2.gz IAIXZJMLKAHPIC-MRXNPFEDSA-N -1 3 319.788 3.938 20 0 DHADHM O=C([O-])c1ccc(CN2CCCCCC2)cc1Br ZINC000258153133 961356488 /nfs/dbraw/zinc/35/64/88/961356488.db2.gz PPKHFQHABBLEDF-UHFFFAOYSA-N -1 3 312.207 3.523 20 0 DHADHM COc1ccc(C)cc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001625854926 1013254266 /nfs/dbraw/zinc/25/42/66/1013254266.db2.gz HMOYOMDACFJTFK-UHFFFAOYSA-N -1 3 313.397 3.763 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263411618 962578570 /nfs/dbraw/zinc/57/85/70/962578570.db2.gz LOWIWAGNLIESMG-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c([O-])c1 ZINC000024208325 1013364527 /nfs/dbraw/zinc/36/45/27/1013364527.db2.gz PHAWVSLQYJZHBX-AWEZNQCLSA-N -1 3 317.385 3.807 20 0 DHADHM C[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366592 1013380833 /nfs/dbraw/zinc/38/08/33/1013380833.db2.gz BZKGGAWNOGWHIV-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM Cc1ccc2nc(C)c(C(=O)Nc3cc(F)ccc3[O-])cc2c1 ZINC000340331346 1013497475 /nfs/dbraw/zinc/49/74/75/1013497475.db2.gz UZFSLXWOSGLGNK-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426768211 1013502350 /nfs/dbraw/zinc/50/23/50/1013502350.db2.gz WHNMNSJUEJHHFO-KRWDZBQOSA-N -1 3 317.360 3.528 20 0 DHADHM O=C(NCc1coc2ccccc12)c1cc([O-])ccc1Cl ZINC000340362337 1013520612 /nfs/dbraw/zinc/52/06/12/1013520612.db2.gz VVPWAEQKLXCRRE-UHFFFAOYSA-N -1 3 301.729 3.722 20 0 DHADHM CC(C)CCOc1ccccc1[N-]S(=O)(=O)CCCCF ZINC000655587900 1013520898 /nfs/dbraw/zinc/52/08/98/1013520898.db2.gz ZNRFPQHJPSQWLM-UHFFFAOYSA-N -1 3 317.426 3.603 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437646 1013659628 /nfs/dbraw/zinc/65/96/28/1013659628.db2.gz AIFPAVNIAXPSMV-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437646 1013659631 /nfs/dbraw/zinc/65/96/31/1013659631.db2.gz AIFPAVNIAXPSMV-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000188261480 1013661535 /nfs/dbraw/zinc/66/15/35/1013661535.db2.gz INVFOXUKIJDUSI-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM COC(=O)c1c(F)cc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210223509 1013713372 /nfs/dbraw/zinc/71/33/72/1013713372.db2.gz XXBCTHSQLZGHTA-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1nc(-c2ccccc2)oc1C ZINC000340428103 1013772137 /nfs/dbraw/zinc/77/21/37/1013772137.db2.gz MDRSLAMNSBQPPP-UHFFFAOYSA-N -1 3 311.341 3.761 20 0 DHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000330846797 1013844623 /nfs/dbraw/zinc/84/46/23/1013844623.db2.gz YNRIEZBJMYOJSM-IAQYHMDHSA-N -1 3 311.809 3.825 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000189065255 1013906726 /nfs/dbraw/zinc/90/67/26/1013906726.db2.gz QABRBXCBAWAMMS-ZDUSSCGKSA-N -1 3 313.397 3.796 20 0 DHADHM O=C([N-]CCCSC/C=C\c1ccccc1)C(F)(F)F ZINC000255142234 1013920641 /nfs/dbraw/zinc/92/06/41/1013920641.db2.gz RFTKKHXNKVTONL-YWEYNIOJSA-N -1 3 303.349 3.502 20 0 DHADHM C[C@@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000319204738 970513801 /nfs/dbraw/zinc/51/38/01/970513801.db2.gz FJBRTDCSUYZNDK-KSSFIOAISA-N -1 3 301.430 3.887 20 0 DHADHM C[C@@H](CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000320731296 970706742 /nfs/dbraw/zinc/70/67/42/970706742.db2.gz MGLXDJCWLYZWFT-KXBFYZLASA-N -1 3 309.409 3.864 20 0 DHADHM O=C([O-])C1(NCc2ncc(Cl)cc2Cl)CCCCCC1 ZINC001605961878 972935554 /nfs/dbraw/zinc/93/55/54/972935554.db2.gz SMJBUQXBHCENIQ-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM CCOC(=O)c1c(C)nsc1Nc1cccc([O-])c1Cl ZINC001210845560 1014069436 /nfs/dbraw/zinc/06/94/36/1014069436.db2.gz YKYOJZQVYCLMOT-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM CC(C)Oc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175927477 1014083854 /nfs/dbraw/zinc/08/38/54/1014083854.db2.gz YVDPNIUOCAXWDY-VIFPVBQESA-N -1 3 307.287 3.551 20 0 DHADHM O=C(CCCCCc1ccc(F)cc1)[N-]OCCC(F)(F)F ZINC000777979416 1032084015 /nfs/dbraw/zinc/08/40/15/1032084015.db2.gz XPOVSOHTNROKCM-UHFFFAOYSA-N -1 3 321.314 3.929 20 0 DHADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccc(OC)cc1 ZINC000530172680 974362918 /nfs/dbraw/zinc/36/29/18/974362918.db2.gz NBQKCTMZEULGSG-UHFFFAOYSA-N -1 3 317.385 3.707 20 0 DHADHM COc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])cc2)cc1F ZINC000530251201 974366038 /nfs/dbraw/zinc/36/60/38/974366038.db2.gz GSJDNNHAROPXCM-UHFFFAOYSA-N -1 3 317.360 3.557 20 0 DHADHM C[C@@]1(C(=O)[O-])CCCN(CCc2cccc(Cl)c2Cl)C1 ZINC000563277722 974525122 /nfs/dbraw/zinc/52/51/22/974525122.db2.gz KJROTMKTJRYMFV-OAHLLOKOSA-N -1 3 316.228 3.723 20 0 DHADHM C[C@@H](c1ccccc1)N(Cc1oncc1C(=O)[O-])CC1CCC1 ZINC000563282305 974527212 /nfs/dbraw/zinc/52/72/12/974527212.db2.gz IMAVVEVNRIMJAR-ZDUSSCGKSA-N -1 3 314.385 3.736 20 0 DHADHM Cc1sc(Cl)nc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000817088019 1029069903 /nfs/dbraw/zinc/06/99/03/1029069903.db2.gz WTDJNAKBLOXCBE-UHFFFAOYSA-N -1 3 306.696 3.775 20 0 DHADHM CC[C@@H](CSC)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000573733044 974770779 /nfs/dbraw/zinc/77/07/79/974770779.db2.gz CGCKIUCAGRRYQP-JTQLQIEISA-N -1 3 301.839 3.612 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(CC)CC ZINC000575809696 974802261 /nfs/dbraw/zinc/80/22/61/974802261.db2.gz DICPGIAJAXSKLS-CVEARBPZSA-N -1 3 323.433 3.702 20 0 DHADHM CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000577184496 974831438 /nfs/dbraw/zinc/83/14/38/974831438.db2.gz PTBFCAKMAXMMCE-CQSZACIVSA-N -1 3 318.442 3.603 20 0 DHADHM CC[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000578369364 974853513 /nfs/dbraw/zinc/85/35/13/974853513.db2.gz HFPHXJKHPXZHRM-GFCCVEGCSA-N -1 3 316.426 3.740 20 0 DHADHM CC[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581076873 974904384 /nfs/dbraw/zinc/90/43/84/974904384.db2.gz HTRQBCZGVVNIIV-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])c1occc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625971177 975067189 /nfs/dbraw/zinc/06/71/89/975067189.db2.gz OAQNHKUQWQTRHB-LBPRGKRZSA-N -1 3 321.323 3.636 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652367032 975516235 /nfs/dbraw/zinc/51/62/35/975516235.db2.gz FIYMMZWQJBDUPU-TXEJJXNPSA-N -1 3 311.809 3.680 20 0 DHADHM O=C([O-])c1cccc2c1CN(Cc1ccc(C(F)F)cc1)CC2 ZINC000652486896 975553049 /nfs/dbraw/zinc/55/30/49/975553049.db2.gz FRAWPYOBRVPODT-UHFFFAOYSA-N -1 3 317.335 3.881 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2ccco2)CC1 ZINC000656757476 975684146 /nfs/dbraw/zinc/68/41/46/975684146.db2.gz OPALQFDGFKKQHH-UHFFFAOYSA-N -1 3 303.358 3.513 20 0 DHADHM O=C([O-])CC1(CN2CCc3oc(-c4ccccc4)cc3C2)CC1 ZINC000659799115 975888009 /nfs/dbraw/zinc/88/80/09/975888009.db2.gz XSYRUHKUQREHCY-UHFFFAOYSA-N -1 3 311.381 3.560 20 0 DHADHM COc1cccc(Cl)c1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000417541911 1014304812 /nfs/dbraw/zinc/30/48/12/1014304812.db2.gz ZEVVOXMXXKGDHR-NWDGAFQWSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc3ccc(F)cc3s2)n1 ZINC000684064235 1014361928 /nfs/dbraw/zinc/36/19/28/1014361928.db2.gz UYWBXAHLIYRVIT-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM c1ccc(-c2cncc(-c3nnn[n-]3)c2)c(OC2CCCCC2)c1 ZINC000665137358 1014390572 /nfs/dbraw/zinc/39/05/72/1014390572.db2.gz AWOWDIGBBRESIX-UHFFFAOYSA-N -1 3 321.384 3.640 20 0 DHADHM c1ccc(-c2cncc(-c3nn[n-]n3)c2)c(OC2CCCCC2)c1 ZINC000665137358 1014390584 /nfs/dbraw/zinc/39/05/84/1014390584.db2.gz AWOWDIGBBRESIX-UHFFFAOYSA-N -1 3 321.384 3.640 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2-c2ncco2)c([O-])c1C ZINC001167439976 1014479166 /nfs/dbraw/zinc/47/91/66/1014479166.db2.gz OHGUBDRAHRFKJR-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC3(CC3(F)F)CC2)c([O-])c1 ZINC000652844533 1014499592 /nfs/dbraw/zinc/49/95/92/1014499592.db2.gz KERRMYGGHKATAD-UHFFFAOYSA-N -1 3 309.356 3.777 20 0 DHADHM COc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153431475 1014522334 /nfs/dbraw/zinc/52/23/34/1014522334.db2.gz KJDWOVFWQNFEPF-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CC(C)c1ccc(O[C@@H](C)CNCc2cc(C(=O)[O-])co2)cc1 ZINC001592709855 979195787 /nfs/dbraw/zinc/19/57/87/979195787.db2.gz PGWCHYYSBPPXQU-ZDUSSCGKSA-N -1 3 317.385 3.658 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@](F)(c3ccccc3)C2)cc1 ZINC000864361646 979932739 /nfs/dbraw/zinc/93/27/39/979932739.db2.gz MDZFVPPGKTZVBQ-LJQANCHMSA-N -1 3 313.372 3.846 20 0 DHADHM O=C([O-])CC[C@@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000864512097 979940640 /nfs/dbraw/zinc/94/06/40/979940640.db2.gz YRKNMXMRIADGIF-CQSZACIVSA-N -1 3 322.767 3.570 20 0 DHADHM Cc1cc([C@H](C)N(C)Cc2ccc3cc[nH]c3c2)oc1C(=O)[O-] ZINC000872165677 980060901 /nfs/dbraw/zinc/06/09/01/980060901.db2.gz JBYUDVJGRWKGKY-LBPRGKRZSA-N -1 3 312.369 3.961 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872166051 980061107 /nfs/dbraw/zinc/06/11/07/980061107.db2.gz BFPFBLVXTPWKMU-RNCFNFMXSA-N -1 3 305.296 3.622 20 0 DHADHM CC[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595281190 980331720 /nfs/dbraw/zinc/33/17/20/980331720.db2.gz JWXFEAFNBUAIFY-YVEFUNNKSA-N -1 3 314.385 3.590 20 0 DHADHM CC[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901629140 980412425 /nfs/dbraw/zinc/41/24/25/980412425.db2.gz XCKSFILZZQMWSO-BEFAXECRSA-N -1 3 309.409 3.864 20 0 DHADHM C[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1cccs1)c1ncc(C(=O)[O-])s1 ZINC000901908189 980621509 /nfs/dbraw/zinc/62/15/09/980621509.db2.gz QHSNHYPYXXPGOS-CHWFTXMASA-N -1 3 322.455 3.746 20 0 DHADHM CC[C@@H](Cc1cccs1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912761 980625294 /nfs/dbraw/zinc/62/52/94/980625294.db2.gz RYDICCJPNBAVAD-ZJUUUORDSA-N -1 3 310.444 3.575 20 0 DHADHM CCOc1cccc([C@H](C)NCc2csc(C(=O)[O-])c2)c1 ZINC000902165168 980764155 /nfs/dbraw/zinc/76/41/55/980764155.db2.gz QIRFRXFMAALXLA-NSHDSACASA-N -1 3 305.399 3.696 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902339691 980838748 /nfs/dbraw/zinc/83/87/48/980838748.db2.gz WHWNNGSQUZUBEY-BUQDYYEQSA-N -1 3 311.381 3.791 20 0 DHADHM Cc1oc(CN2CC[C@](C)(c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000902347082 980842983 /nfs/dbraw/zinc/84/29/83/980842983.db2.gz BWARUGYSCFIBSZ-SFHVURJKSA-N -1 3 317.360 3.589 20 0 DHADHM O=C([O-])c1cc(CN[C@H]2CCc3ccc(Cl)cc32)cs1 ZINC000902369099 980857702 /nfs/dbraw/zinc/85/77/02/980857702.db2.gz MLHSPQMHDSQHMM-ZDUSSCGKSA-N -1 3 307.802 3.877 20 0 DHADHM CCc1oc(CN(C)CCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902380205 980862592 /nfs/dbraw/zinc/86/25/92/980862592.db2.gz IQKJEKJIWANMDD-UHFFFAOYSA-N -1 3 321.804 3.868 20 0 DHADHM Cn1cc(CCC(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000128687423 1014693823 /nfs/dbraw/zinc/69/38/23/1014693823.db2.gz OSJXWVMWSWJZOT-UHFFFAOYSA-N -1 3 312.344 3.594 20 0 DHADHM CC[C@@H](C)[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000903594088 980978052 /nfs/dbraw/zinc/97/80/52/980978052.db2.gz CPJOSLYNNSSWOJ-YMTOWFKASA-N -1 3 316.228 3.851 20 0 DHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(C/C=C\Cl)CC3)c2c1 ZINC000903635386 981010702 /nfs/dbraw/zinc/01/07/02/981010702.db2.gz FWLBIXVYYBVTKF-BHQIHCQQSA-N -1 3 318.804 3.798 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc2c(c1)CCCO2 ZINC000903693234 981015181 /nfs/dbraw/zinc/01/51/81/981015181.db2.gz VIGMWUIMCPLWES-NSHDSACASA-N -1 3 317.410 3.622 20 0 DHADHM CCN(Cc1cncc(C(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000903888327 981022433 /nfs/dbraw/zinc/02/24/33/981022433.db2.gz YSZYMJRJWTZRGK-LBPRGKRZSA-N -1 3 302.349 3.502 20 0 DHADHM COc1ccc2occ(C(=O)Nc3cc(F)ccc3[O-])c2c1 ZINC000442571660 1014702064 /nfs/dbraw/zinc/70/20/64/1014702064.db2.gz VALWCLDGKCJMDZ-UHFFFAOYSA-N -1 3 301.273 3.538 20 0 DHADHM Cc1ccc(C)c(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000903962181 981077903 /nfs/dbraw/zinc/07/79/03/981077903.db2.gz KNCKVLDDTUHZGU-UHFFFAOYSA-N -1 3 313.397 3.974 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccncc2Oc2ccccc2)n1 ZINC000442814048 1014742161 /nfs/dbraw/zinc/74/21/61/1014742161.db2.gz UMJFZHSOSZDCAA-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccncc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000656518053 1014772856 /nfs/dbraw/zinc/77/28/56/1014772856.db2.gz OPWULRZLPUUROZ-LLVKDONJSA-N -1 3 321.218 3.709 20 0 DHADHM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([O-])c1F ZINC000128957309 1014776735 /nfs/dbraw/zinc/77/67/35/1014776735.db2.gz OJMSYTJXFORURX-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c([O-])c1 ZINC000135165683 1014817530 /nfs/dbraw/zinc/81/75/30/1014817530.db2.gz GHUDIQKGEKXCPV-OAHLLOKOSA-N -1 3 315.369 3.751 20 0 DHADHM CCCCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C(=O)[O-])o2)C1(C)C ZINC001595771131 982518374 /nfs/dbraw/zinc/51/83/74/982518374.db2.gz VRLBHVGZMRGJQD-BYCMXARLSA-N -1 3 309.406 3.612 20 0 DHADHM CC[C@@H](C)[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594931549 982567703 /nfs/dbraw/zinc/56/77/03/982567703.db2.gz RLNSGQHKZDLERF-MLGOLLRUSA-N -1 3 315.417 3.662 20 0 DHADHM O=C([O-])CCCCCN(Cc1ccco1)Cc1ccccc1 ZINC000522009144 1014860473 /nfs/dbraw/zinc/86/04/73/1014860473.db2.gz ZIUKAHOIDXYBGO-UHFFFAOYSA-N -1 3 301.386 3.927 20 0 DHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c(C)c1 ZINC000656564309 1014868646 /nfs/dbraw/zinc/86/86/46/1014868646.db2.gz JAPBWUQLDWBCMC-INIZCTEOSA-N -1 3 319.426 3.761 20 0 DHADHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001595887827 982916346 /nfs/dbraw/zinc/91/63/46/982916346.db2.gz FBAFGLUHTUQMSV-UHFFFAOYSA-N -1 3 305.349 3.838 20 0 DHADHM CCN(CCSC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596347156 983797028 /nfs/dbraw/zinc/79/70/28/983797028.db2.gz FJIHFEOTYPNQOE-LBPRGKRZSA-N -1 3 322.257 3.804 20 0 DHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OCc1ccccn1 ZINC000909517459 1015073317 /nfs/dbraw/zinc/07/33/17/1015073317.db2.gz IRMPWMQCKPTWGM-LJQANCHMSA-N -1 3 312.413 3.534 20 0 DHADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CCCCF)c1 ZINC000656742048 1015115977 /nfs/dbraw/zinc/11/59/77/1015115977.db2.gz VAYIOKSXPSWTST-UHFFFAOYSA-N -1 3 313.316 3.505 20 0 DHADHM C[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)[C@H](C)C1 ZINC000656757486 1015130020 /nfs/dbraw/zinc/13/00/20/1015130020.db2.gz OVBZSPHQXQPBAP-VXGBXAGGSA-N -1 3 311.809 3.537 20 0 DHADHM CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597258610 987271213 /nfs/dbraw/zinc/27/12/13/987271213.db2.gz PTURDWRYFJEFHW-GMTAPVOTSA-N -1 3 314.476 3.556 20 0 DHADHM CC[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1 ZINC001597349339 987484765 /nfs/dbraw/zinc/48/47/65/987484765.db2.gz HJMWMXPBITYELP-PBHICJAKSA-N -1 3 313.397 3.952 20 0 DHADHM CC[C@@H]([N-]c1nnc(C(F)F)o1)c1cc(F)ccc1OC ZINC000895879532 1015339814 /nfs/dbraw/zinc/33/98/14/1015339814.db2.gz LYAWRUCKQBWFPF-SECBINFHSA-N -1 3 301.268 3.718 20 0 DHADHM CSc1ccccc1CN(C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599823751 988560254 /nfs/dbraw/zinc/56/02/54/988560254.db2.gz BWORBUXVJMEQRT-INIZCTEOSA-N -1 3 319.401 3.805 20 0 DHADHM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001599825648 988593684 /nfs/dbraw/zinc/59/36/84/988593684.db2.gz JQQBTULRTBVLJD-JTQLQIEISA-N -1 3 304.415 3.594 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2cccc(F)c2)no1 ZINC000097328823 1015404285 /nfs/dbraw/zinc/40/42/85/1015404285.db2.gz CXNRZZWAJRVVGA-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM CC(C)(CNCc1c(Cl)ccc(Cl)c1Cl)C(=O)[O-] ZINC001590757332 990555714 /nfs/dbraw/zinc/55/57/14/990555714.db2.gz OUBYTIXWNFOBHW-UHFFFAOYSA-N -1 3 310.608 3.847 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccnc(C2CC2)c1 ZINC000341608447 1015589264 /nfs/dbraw/zinc/58/92/64/1015589264.db2.gz NYBWCUVDPRGHFS-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM CCc1ccc(-c2nc(CCOCc3ccccc3)no2)c([O-])c1 ZINC000896523769 1015619563 /nfs/dbraw/zinc/61/95/63/1015619563.db2.gz LCKWBRBRNXHSTK-UHFFFAOYSA-N -1 3 324.380 3.764 20 0 DHADHM CC(C)CC[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591227721 992100441 /nfs/dbraw/zinc/10/04/41/992100441.db2.gz KGQNHSGCQOSLIN-CQSZACIVSA-N -1 3 315.417 3.662 20 0 DHADHM CCSc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000535659739 1015707359 /nfs/dbraw/zinc/70/73/59/1015707359.db2.gz VTWJWYCAUIEVMQ-UHFFFAOYSA-N -1 3 305.374 3.825 20 0 DHADHM O=C(CCCOc1ccccc1Cl)[N-]OCc1ccccc1 ZINC000065086725 1015716372 /nfs/dbraw/zinc/71/63/72/1015716372.db2.gz UIMJKLIPDLERNC-UHFFFAOYSA-N -1 3 319.788 3.747 20 0 DHADHM CCSc1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000276948267 1015768568 /nfs/dbraw/zinc/76/85/68/1015768568.db2.gz DLVRLUBKYAWNTE-UHFFFAOYSA-N -1 3 315.438 3.716 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccc(SC)cc2)n1 ZINC000610783188 1015784805 /nfs/dbraw/zinc/78/48/05/1015784805.db2.gz VUBUXYLPVCYKSR-UHFFFAOYSA-N -1 3 306.456 3.900 20 0 DHADHM Cc1noc([N-]C(=O)C(F)(F)c2ccccc2OC(C)C)c1C ZINC000846890587 1032128436 /nfs/dbraw/zinc/12/84/36/1032128436.db2.gz DCUXFRDJDYZROI-UHFFFAOYSA-N -1 3 324.327 3.809 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001599619812 994065023 /nfs/dbraw/zinc/06/50/23/994065023.db2.gz BZOMFXRKWIZWNX-SJKOYZFVSA-N -1 3 317.360 3.619 20 0 DHADHM C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(=O)[O-])co1 ZINC001593285802 994638793 /nfs/dbraw/zinc/63/87/93/994638793.db2.gz JMNYLVPGCZKFGQ-DAXOMENPSA-N -1 3 315.369 3.549 20 0 DHADHM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599674572 994875928 /nfs/dbraw/zinc/87/59/28/994875928.db2.gz SOCYSYFLFACGAJ-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@H](N[C@@H]1CCCc2cccnc21)c1cc(C(=O)[O-])cs1 ZINC001593354708 994997278 /nfs/dbraw/zinc/99/72/78/994997278.db2.gz XDGMCKVHAOULAG-GXFFZTMASA-N -1 3 302.399 3.570 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC(C2CCCCC2)C1)C(=O)[O-] ZINC001593644762 995966708 /nfs/dbraw/zinc/96/67/08/995966708.db2.gz MWLMJCFLVHYMPP-AWEZNQCLSA-N -1 3 317.429 3.551 20 0 DHADHM C[C@@]1(C(=O)[O-])CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001593775809 996473058 /nfs/dbraw/zinc/47/30/58/996473058.db2.gz BYOQDUJKXVEECU-OAHLLOKOSA-N -1 3 316.228 3.723 20 0 DHADHM CC1(C)CN(Cc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC001593942108 996963085 /nfs/dbraw/zinc/96/30/85/996963085.db2.gz DPSCGVCNQPWBCZ-UHFFFAOYSA-N -1 3 301.411 3.740 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN[C@H](c1cccs1)C1CC1 ZINC001599501701 997135064 /nfs/dbraw/zinc/13/50/64/997135064.db2.gz VELBQAMEIQKSMC-INIZCTEOSA-N -1 3 317.410 3.696 20 0 DHADHM COCCCC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001599224554 997733846 /nfs/dbraw/zinc/73/38/46/997733846.db2.gz RJEGKPLUYKLFOE-MRXNPFEDSA-N -1 3 317.385 3.625 20 0 DHADHM CC1=C(c2ccco2)CN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001594109023 998189347 /nfs/dbraw/zinc/18/93/47/998189347.db2.gz BQZBUNGBHUZNPS-LBPRGKRZSA-N -1 3 301.342 3.811 20 0 DHADHM COc1cc2ccccc2cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001599466867 998377862 /nfs/dbraw/zinc/37/78/62/998377862.db2.gz VTRMAZYAFZBBMB-IBGZPJMESA-N -1 3 321.376 3.764 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC001594216147 998830585 /nfs/dbraw/zinc/83/05/85/998830585.db2.gz UOFODFXTMSCBGZ-WPRPVWTQSA-N -1 3 307.337 3.609 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(C3CCCC3)nn2C)c1 ZINC000622500262 1016430907 /nfs/dbraw/zinc/43/09/07/1016430907.db2.gz OZAZPMROEZKAHI-UHFFFAOYSA-N -1 3 313.401 3.598 20 0 DHADHM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622511389 1016441591 /nfs/dbraw/zinc/44/15/91/1016441591.db2.gz ANROOHKINYAWJV-LLVKDONJSA-N -1 3 303.324 3.976 20 0 DHADHM CC(F)(F)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622541497 1016452865 /nfs/dbraw/zinc/45/28/65/1016452865.db2.gz UEGCDIQLOBCMMD-UHFFFAOYSA-N -1 3 309.287 3.824 20 0 DHADHM CCc1cccc(C(=O)N2CCCCc3sccc32)c1[O-] ZINC000684782154 1016461047 /nfs/dbraw/zinc/46/10/47/1016461047.db2.gz HMCOIOMQECEAKL-UHFFFAOYSA-N -1 3 301.411 3.999 20 0 DHADHM O=C(Nc1ccccc1OCCF)c1cc([O-])ccc1Cl ZINC000622629508 1016492310 /nfs/dbraw/zinc/49/23/10/1016492310.db2.gz QWRPOQMSPCSGLX-UHFFFAOYSA-N -1 3 309.724 3.646 20 0 DHADHM CC(F)(F)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622624654 1016493452 /nfs/dbraw/zinc/49/34/52/1016493452.db2.gz SVZRLYVFVVOGHI-UHFFFAOYSA-N -1 3 319.351 3.758 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Cl)cnc2OC(C)C)c([O-])c1 ZINC000622649360 1016507012 /nfs/dbraw/zinc/50/70/12/1016507012.db2.gz OUGZUQYFAKGSSN-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000665533246 1016584304 /nfs/dbraw/zinc/58/43/04/1016584304.db2.gz HCFUCOKJSLXNIK-JTQLQIEISA-N -1 3 319.451 3.935 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccsc2Br)c1 ZINC000337799707 1016761227 /nfs/dbraw/zinc/76/12/27/1016761227.db2.gz GDNBXQASTIQSEL-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)s1 ZINC000277624087 1016791163 /nfs/dbraw/zinc/79/11/63/1016791163.db2.gz IUAMCIGVPFKOIB-VIFPVBQESA-N -1 3 324.833 3.952 20 0 DHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1(C)CCCC1 ZINC000623025407 1016834006 /nfs/dbraw/zinc/83/40/06/1016834006.db2.gz HMRQIWJHPLICQP-UHFFFAOYSA-N -1 3 301.308 3.816 20 0 DHADHM CC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)c1nc(C)cs1 ZINC000277707322 1016961115 /nfs/dbraw/zinc/96/11/15/1016961115.db2.gz OQDRXXFZWABSMD-OAHLLOKOSA-N -1 3 324.833 3.866 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(C2CCC2)c1 ZINC000342675187 1016979728 /nfs/dbraw/zinc/97/97/28/1016979728.db2.gz OLBVYUBYXSZUPC-UHFFFAOYSA-N -1 3 308.341 3.585 20 0 DHADHM CCC[C@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000623350953 1016984448 /nfs/dbraw/zinc/98/44/48/1016984448.db2.gz CTMQZSLGHBLQND-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM [O-]c1cc(Br)cc(F)c1O[C@H]1CCCC[C@H]1F ZINC001227586941 1017046087 /nfs/dbraw/zinc/04/60/87/1017046087.db2.gz DEXMXDWURXXYQZ-KCJUWKMLSA-N -1 3 307.134 3.953 20 0 DHADHM C[C@H](Cc1ccco1)Oc1c([O-])cc(Br)cc1F ZINC001227588780 1017047186 /nfs/dbraw/zinc/04/71/86/1017047186.db2.gz VKFRUFRUIHASOE-MRVPVSSYSA-N -1 3 315.138 3.897 20 0 DHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)C2=CCCCC2)c([O-])c1 ZINC001146723719 1032240990 /nfs/dbraw/zinc/24/09/90/1032240990.db2.gz POELEKKBUGHAFT-UHFFFAOYSA-N -1 3 317.385 3.786 20 0 DHADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(OC)c1C ZINC000057289369 1032280920 /nfs/dbraw/zinc/28/09/20/1032280920.db2.gz IRHOWNKDNNNTLU-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccccn1 ZINC001147180195 1032290975 /nfs/dbraw/zinc/29/09/75/1032290975.db2.gz BARSEELTVPAAOM-LLVKDONJSA-N -1 3 312.394 3.535 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)c([O-])c1 ZINC001147844546 1032346253 /nfs/dbraw/zinc/34/62/53/1032346253.db2.gz DNYXYILBSCIRDI-WKILWMFISA-N -1 3 319.445 3.804 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC001148045529 1032359604 /nfs/dbraw/zinc/35/96/04/1032359604.db2.gz CDVLDAZUPMLVSC-NSHDSACASA-N -1 3 305.324 3.512 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2csc(C(C)C)n2)c([O-])c1 ZINC001148503771 1032409123 /nfs/dbraw/zinc/40/91/23/1032409123.db2.gz FCCILRRUJZRZLB-UHFFFAOYSA-N -1 3 304.415 3.553 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)c1 ZINC001148517227 1032408097 /nfs/dbraw/zinc/40/80/97/1032408097.db2.gz PWRJBFDYADUGLU-UHFFFAOYSA-N -1 3 319.723 3.622 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(-n2cccc2)cc1 ZINC001148693080 1032430019 /nfs/dbraw/zinc/43/00/19/1032430019.db2.gz ATXIKXBOLCDUSG-UHFFFAOYSA-N -1 3 320.348 3.638 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccccc2C(F)F)ccc1[O-] ZINC001148661984 1032431647 /nfs/dbraw/zinc/43/16/47/1032431647.db2.gz IHXUWYAEJUSUEP-UHFFFAOYSA-N -1 3 305.280 3.785 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1ncc(Cl)cc1Cl ZINC001148912432 1032453109 /nfs/dbraw/zinc/45/31/09/1032453109.db2.gz OYIONTPPFVMAEI-UHFFFAOYSA-N -1 3 314.197 3.758 20 0 DHADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000537646455 1032575159 /nfs/dbraw/zinc/57/51/59/1032575159.db2.gz VMSVOTILRVEMPF-UHFFFAOYSA-N -1 3 313.397 3.762 20 0 DHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C2CCCC2)cc1 ZINC000579726215 1011983361 /nfs/dbraw/zinc/98/33/61/1011983361.db2.gz VRCRGGZTIJNKJY-UHFFFAOYSA-N -1 3 324.306 3.733 20 0 DHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C2CCCC2)cc1 ZINC000579726215 1011983375 /nfs/dbraw/zinc/98/33/75/1011983375.db2.gz VRCRGGZTIJNKJY-UHFFFAOYSA-N -1 3 324.306 3.733 20 0 DHADHM O=[S@](Cc1cc2ccccc2nc1Cl)c1ccc([O-])cc1 ZINC000083079572 1012019726 /nfs/dbraw/zinc/01/97/26/1012019726.db2.gz BHVOPYTZLHFDSA-NRFANRHFSA-N -1 3 317.797 3.902 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000537662721 1032623251 /nfs/dbraw/zinc/62/32/51/1032623251.db2.gz CYSUIVGHCVREPD-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000109036957 1012405728 /nfs/dbraw/zinc/40/57/28/1012405728.db2.gz VVYUVIGKNWWMSJ-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1C ZINC000655157704 1012516365 /nfs/dbraw/zinc/51/63/65/1012516365.db2.gz IKZHGMICDJDVMY-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1[O-] ZINC000515226147 1012585414 /nfs/dbraw/zinc/58/54/14/1012585414.db2.gz IFJMCSREWSAYKP-STQMWFEESA-N -1 3 315.394 3.707 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000515260786 1012590345 /nfs/dbraw/zinc/59/03/45/1012590345.db2.gz JWFAZSAWOUXJRO-UHFFFAOYSA-N -1 3 321.389 3.508 20 0 DHADHM CCc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)c([O-])c1 ZINC000436744028 1012767906 /nfs/dbraw/zinc/76/79/06/1012767906.db2.gz IODNJOHWLSDWBB-UHFFFAOYSA-N -1 3 301.773 3.764 20 0 DHADHM CSCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000109300532 1012817724 /nfs/dbraw/zinc/81/77/24/1012817724.db2.gz IYLVEUFGUOQHQF-UHFFFAOYSA-N -1 3 324.405 3.643 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1CC(=O)[O-] ZINC000722645809 1012848032 /nfs/dbraw/zinc/84/80/32/1012848032.db2.gz PYXNVHLUPQQBTB-MWLCHTKSSA-N -1 3 302.201 3.536 20 0 DHADHM CCc1ncc(C(=O)[N-]c2c3nsnc3ccc2Cl)s1 ZINC000776961365 1032669768 /nfs/dbraw/zinc/66/97/68/1032669768.db2.gz RRTFEUDRVTTWQL-UHFFFAOYSA-N -1 3 324.818 3.616 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000232780722 1012947228 /nfs/dbraw/zinc/94/72/28/1012947228.db2.gz SHWARVAQDZQOQG-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM CC(C)(C)c1coc(C[N-]c2nnc(Cc3ccccc3)o2)n1 ZINC000897172780 1017121383 /nfs/dbraw/zinc/12/13/83/1017121383.db2.gz WADWCVYSJPFYRY-UHFFFAOYSA-N -1 3 312.373 3.558 20 0 DHADHM Cc1ccc(Br)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213370309 1017131372 /nfs/dbraw/zinc/13/13/72/1017131372.db2.gz CVPZXEWCFPUWLT-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCc1ccc(-c2ccc(CNCc3ncccc3[O-])o2)cc1 ZINC000475331146 1017145057 /nfs/dbraw/zinc/14/50/57/1017145057.db2.gz OGAVSLNAIHFXMO-UHFFFAOYSA-N -1 3 308.381 3.899 20 0 DHADHM Cc1cccc(Cl)c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001126601089 1017363177 /nfs/dbraw/zinc/36/31/77/1017363177.db2.gz DLJJVUQWUOWMCX-UHFFFAOYSA-N -1 3 312.756 3.742 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCOc2ccccc21 ZINC000076965190 1017443789 /nfs/dbraw/zinc/44/37/89/1017443789.db2.gz CSBBOXHVWGFANH-LBPRGKRZSA-N -1 3 303.745 3.550 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2ccsc2C(F)(F)F)n1 ZINC000874693342 1032708252 /nfs/dbraw/zinc/70/82/52/1032708252.db2.gz YUTGQOWEPXKXIW-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM Cc1nc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c(Cl)n1 ZINC001213373793 1017632136 /nfs/dbraw/zinc/63/21/36/1017632136.db2.gz ZKJROLUUPZEDDR-UHFFFAOYSA-N -1 3 306.099 3.819 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523513241 1017715282 /nfs/dbraw/zinc/71/52/82/1017715282.db2.gz SDUQRAINPLHPQT-HIFRSBDPSA-N -1 3 322.424 3.935 20 0 DHADHM [O-]c1c(F)cc(Nc2ccnn2Cc2cccc(F)c2)cc1F ZINC001213375212 1017752358 /nfs/dbraw/zinc/75/23/58/1017752358.db2.gz UAHLVEFTRQVFLQ-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000625696403 1017768458 /nfs/dbraw/zinc/76/84/58/1017768458.db2.gz NBNGYYAAIYXIQW-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM CC[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000181726451 1017796932 /nfs/dbraw/zinc/79/69/32/1017796932.db2.gz SWXCQUIXAXBLGJ-CYBMUJFWSA-N -1 3 303.333 3.672 20 0 DHADHM CCc1ncc(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182124024 1017864537 /nfs/dbraw/zinc/86/45/37/1017864537.db2.gz AFBNXXQLXPXWPX-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000674258053 1017903174 /nfs/dbraw/zinc/90/31/74/1017903174.db2.gz XZRWTTSEJMCKLW-UHFFFAOYSA-N -1 3 317.395 3.772 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2cocn2)no1 ZINC000445568940 1017911537 /nfs/dbraw/zinc/91/15/37/1017911537.db2.gz OJIMDNHFVQZNND-UHFFFAOYSA-N -1 3 319.320 3.688 20 0 DHADHM Cc1c([N-]c2nc3cccc(F)c3o2)cnn1C1CCOCC1 ZINC000624247574 1017925655 /nfs/dbraw/zinc/92/56/55/1017925655.db2.gz LOPSMDIDIXBBKG-UHFFFAOYSA-N -1 3 316.336 3.567 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccccn2)s1 ZINC000171400420 1017932949 /nfs/dbraw/zinc/93/29/49/1017932949.db2.gz NZAVYTCVTKIFCI-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000625727516 1017960586 /nfs/dbraw/zinc/96/05/86/1017960586.db2.gz YYXYGZVITNYKAX-UKRRQHHQSA-N -1 3 313.372 3.858 20 0 DHADHM CCC(CC)N(CC(C)C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123060532 1018040182 /nfs/dbraw/zinc/04/01/82/1018040182.db2.gz UBWSVNJZGITEEF-UHFFFAOYSA-N -1 3 320.433 3.637 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C ZINC000194386456 1018188465 /nfs/dbraw/zinc/18/84/65/1018188465.db2.gz DDSZXAIAQXKIEC-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CN(Cc1cccc2ccccc21)C(=O)c1ccc(O)cc1[O-] ZINC000193224955 1018259916 /nfs/dbraw/zinc/25/99/16/1018259916.db2.gz HKLXQEAZVBTCRW-UHFFFAOYSA-N -1 3 307.349 3.523 20 0 DHADHM CC(C)[C@@H](O)[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657748568 1018290522 /nfs/dbraw/zinc/29/05/22/1018290522.db2.gz UYNJTGYUZOJGLB-QZTJIDSGSA-N -1 3 319.832 3.893 20 0 DHADHM CC(C)[C@@H](O)[C@@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657748570 1018291654 /nfs/dbraw/zinc/29/16/54/1018291654.db2.gz UYNJTGYUZOJGLB-ZWKOTPCHSA-N -1 3 319.832 3.893 20 0 DHADHM Cc1cc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc(C)c1F ZINC000675222422 1018304387 /nfs/dbraw/zinc/30/43/87/1018304387.db2.gz LVIAUUFYYRQGLJ-UHFFFAOYSA-N -1 3 302.736 3.999 20 0 DHADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H]2CCCC[C@@H]2F)cnc1Cl ZINC000828060767 1018362313 /nfs/dbraw/zinc/36/23/13/1018362313.db2.gz JYYFREHURVMDIM-WDEREUQCSA-N -1 3 320.742 3.532 20 0 DHADHM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000278221988 1018391434 /nfs/dbraw/zinc/39/14/34/1018391434.db2.gz RAGZFUWXOFBWMA-GMTAPVOTSA-N -1 3 305.353 3.515 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2nc(Cl)ccc2Cl)n1 ZINC000764951851 1018433675 /nfs/dbraw/zinc/43/36/75/1018433675.db2.gz VBKNAHDLHZQHQW-UHFFFAOYSA-N -1 3 316.213 3.626 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCSC(C)(C)CC2)c([O-])c1 ZINC000447639340 1018449406 /nfs/dbraw/zinc/44/94/06/1018449406.db2.gz LEJYMOACJGAPMR-UHFFFAOYSA-N -1 3 307.459 3.873 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)nc1 ZINC001212558251 1018465062 /nfs/dbraw/zinc/46/50/62/1018465062.db2.gz YOICAZYFKLGMNQ-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3F)s2)S1 ZINC000874928144 1032762803 /nfs/dbraw/zinc/76/28/03/1032762803.db2.gz OTDSNEOOFQSBRF-KPKJPENVSA-N -1 3 305.355 3.878 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(F)c(-c3cccs3)c2)S1 ZINC000874928645 1032762828 /nfs/dbraw/zinc/76/28/28/1032762828.db2.gz SPTPIEHXFYBBAK-KPKJPENVSA-N -1 3 305.355 3.878 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3c(cccc3C(C)C)C2)n1 ZINC000447883025 1018492881 /nfs/dbraw/zinc/49/28/81/1018492881.db2.gz RHGDWBGSWWJZEH-AWEZNQCLSA-N -1 3 311.429 3.733 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3c(cccc3C(C)C)C2)n1 ZINC000447883027 1018493026 /nfs/dbraw/zinc/49/30/26/1018493026.db2.gz RHGDWBGSWWJZEH-CQSZACIVSA-N -1 3 311.429 3.733 20 0 DHADHM O=C(OCCOc1cccc2ccccc21)c1ccc([O-])cc1 ZINC000065629306 1018527054 /nfs/dbraw/zinc/52/70/54/1018527054.db2.gz LNARFCHQBGVNSE-UHFFFAOYSA-N -1 3 308.333 3.781 20 0 DHADHM COc1cccc2c1[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])CC2 ZINC000343292672 1018558699 /nfs/dbraw/zinc/55/86/99/1018558699.db2.gz GAZXTNZOOOVXQI-LBPRGKRZSA-N -1 3 317.772 3.723 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCc3sccc32)c1[O-] ZINC000564730066 1018700117 /nfs/dbraw/zinc/70/01/17/1018700117.db2.gz JRZHQRYQBGLJPH-ZDUSSCGKSA-N -1 3 315.394 3.715 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c1[O-] ZINC000676596331 1018782620 /nfs/dbraw/zinc/78/26/20/1018782620.db2.gz PJJCVYLTIXOYSU-UHFFFAOYSA-N -1 3 317.295 3.698 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000151364706 1018821049 /nfs/dbraw/zinc/82/10/49/1018821049.db2.gz CFPGDZGCXUYDSX-UHFFFAOYSA-N -1 3 312.703 3.646 20 0 DHADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2ccc3ccccc3c2)n1 ZINC000626116104 1018878142 /nfs/dbraw/zinc/87/81/42/1018878142.db2.gz QBTKAYNEMPJXEM-UHFFFAOYSA-N -1 3 321.424 3.923 20 0 DHADHM CN(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000023694686 1018988031 /nfs/dbraw/zinc/98/80/31/1018988031.db2.gz VLVUJPMHDHVRNR-UHFFFAOYSA-N -1 3 319.364 3.714 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)CC(C)C)c2)n1 ZINC000765611231 1018998482 /nfs/dbraw/zinc/99/84/82/1018998482.db2.gz OQVHBMLKTGZTSA-GFCCVEGCSA-N -1 3 314.385 3.745 20 0 DHADHM O=S(=O)([N-]C1CCCCCC1)c1c(Cl)cccc1Cl ZINC000007376060 1019025968 /nfs/dbraw/zinc/02/59/68/1019025968.db2.gz UKKPCFSROZYYFX-UHFFFAOYSA-N -1 3 322.257 3.995 20 0 DHADHM Cc1ccc(C2=CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC000858211497 1032803665 /nfs/dbraw/zinc/80/36/65/1032803665.db2.gz NWSHFBVWGYLRIM-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC3(CCC3)CC2)c([O-])c1 ZINC000672255554 1019058750 /nfs/dbraw/zinc/05/87/50/1019058750.db2.gz BKMYLFMAVJLCNB-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM COc1cc(-c2nc3cc(F)ccc3n2C)cc(Cl)c1[O-] ZINC000075919664 1019071178 /nfs/dbraw/zinc/07/11/78/1019071178.db2.gz RZLGWMUXSVCUKV-UHFFFAOYSA-N -1 3 306.724 3.747 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000356180775 1019178128 /nfs/dbraw/zinc/17/81/28/1019178128.db2.gz ZHZUJHNHFMAWHC-LLVKDONJSA-N -1 3 305.324 3.663 20 0 DHADHM COc1ccc(C(=O)NCCc2cccc3ccccc32)c([O-])c1 ZINC000031962093 1019234510 /nfs/dbraw/zinc/23/45/10/1019234510.db2.gz UGUSSRQJWMWTBS-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1ncsc1C(C)C ZINC000685297223 1019273413 /nfs/dbraw/zinc/27/34/13/1019273413.db2.gz ANUQHNJBZCDNTB-UHFFFAOYSA-N -1 3 301.318 3.753 20 0 DHADHM O=C([O-])C[C@@H](c1ccccc1)C1CCN(Cc2ccccn2)CC1 ZINC000738563755 1019305912 /nfs/dbraw/zinc/30/59/12/1019305912.db2.gz ZAIFMSHKIDDFAF-IBGZPJMESA-N -1 3 324.424 3.552 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163547462 1019308879 /nfs/dbraw/zinc/30/88/79/1019308879.db2.gz ZOTMJZXYQZAEQB-OCAPTIKFSA-N -1 3 307.797 3.731 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1csc(-c2ccncc2)n1 ZINC001212484214 1019447310 /nfs/dbraw/zinc/44/73/10/1019447310.db2.gz QVDQWRCJWJVEAC-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1nc(F)c(F)c(Cl)c1F ZINC001212484184 1019447320 /nfs/dbraw/zinc/44/73/20/1019447320.db2.gz PFBJJXULCSHJJA-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM COc1c(F)ccc(Nc2cc(=O)[n-]n2C2CCCC2)c1F ZINC001212494477 1019523236 /nfs/dbraw/zinc/52/32/36/1019523236.db2.gz LZHOYWDXTHBGHE-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM O=C([N-]c1ccc(OC(F)F)cc1F)c1ocnc1C(F)F ZINC001128380168 1019525779 /nfs/dbraw/zinc/52/57/79/1019525779.db2.gz NXLCFFRRLBPHSC-UHFFFAOYSA-N -1 3 322.189 3.605 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1[O-] ZINC000094124578 1019612026 /nfs/dbraw/zinc/61/20/26/1019612026.db2.gz WAASGZPKJKDXRA-LLVKDONJSA-N -1 3 318.442 3.861 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)c([O-])c1 ZINC000682527600 1019645080 /nfs/dbraw/zinc/64/50/80/1019645080.db2.gz INVAOBSAFYRGSO-ZYHUDNBSSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)c([O-])c1 ZINC000060104406 1019678634 /nfs/dbraw/zinc/67/86/34/1019678634.db2.gz VGIARUWKYZGJOQ-UHFFFAOYSA-N -1 3 311.381 3.880 20 0 DHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000079268893 1019708154 /nfs/dbraw/zinc/70/81/54/1019708154.db2.gz DCTSZPNFYXILLN-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SCc2ccno2)s1 ZINC000060752072 1019718240 /nfs/dbraw/zinc/71/82/40/1019718240.db2.gz WSUQKBXNIYATGB-UHFFFAOYSA-N -1 3 308.363 3.701 20 0 DHADHM CCCCCOC1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000525935145 1019727181 /nfs/dbraw/zinc/72/71/81/1019727181.db2.gz DFENNKYJMBHODF-UHFFFAOYSA-N -1 3 313.397 3.577 20 0 DHADHM COc1cc(C)ccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525925138 1019727661 /nfs/dbraw/zinc/72/76/61/1019727661.db2.gz JDZCLJZNWIWSLM-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM CC(C)OC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000526926292 1019738515 /nfs/dbraw/zinc/73/85/15/1019738515.db2.gz GQMVCDCYLPONLI-UHFFFAOYSA-N -1 3 313.397 3.575 20 0 DHADHM COc1ccc(F)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527461134 1019751663 /nfs/dbraw/zinc/75/16/63/1019751663.db2.gz WLAJYVNITUCUQO-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM COC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000527461057 1019751913 /nfs/dbraw/zinc/75/19/13/1019751913.db2.gz SFVBQCICNHLQKN-GOSISDBHSA-N -1 3 321.376 3.663 20 0 DHADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281594027 1019780998 /nfs/dbraw/zinc/78/09/98/1019780998.db2.gz NXPYQKWUFWSBID-NSHDSACASA-N -1 3 324.380 3.684 20 0 DHADHM COc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC000067139113 1019973744 /nfs/dbraw/zinc/97/37/44/1019973744.db2.gz YRMOHXISHAGTQP-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM O=S(=O)([N-]CC1CCCCC1)c1cccc(Cl)c1Cl ZINC000612035513 1020144274 /nfs/dbraw/zinc/14/42/74/1020144274.db2.gz RXSHVLAILFDQNF-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM CCC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000732258295 1020217511 /nfs/dbraw/zinc/21/75/11/1020217511.db2.gz QRXOGLDTPBEJFU-HNNXBMFYSA-N -1 3 321.380 3.607 20 0 DHADHM CCCc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000732263510 1020219005 /nfs/dbraw/zinc/21/90/05/1020219005.db2.gz PVSXUEVHLOVKJC-UHFFFAOYSA-N -1 3 307.353 3.540 20 0 DHADHM O=C(OCc1ccc(-c2ccccc2)cc1)c1cncc([O-])c1 ZINC000732391620 1020235167 /nfs/dbraw/zinc/23/51/67/1020235167.db2.gz KNVVMYCPKKWKBO-UHFFFAOYSA-N -1 3 305.333 3.811 20 0 DHADHM O=c1nc(-c2c(F)cccc2F)[n-]c2sc3c(c21)CCCC3 ZINC000020369911 1020252317 /nfs/dbraw/zinc/25/23/17/1020252317.db2.gz SMMDUHRFPZGFPY-UHFFFAOYSA-N -1 3 318.348 3.809 20 0 DHADHM CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccn1 ZINC000685711165 1020358627 /nfs/dbraw/zinc/35/86/27/1020358627.db2.gz ITGNYNJCSZQMPY-HNNXBMFYSA-N -1 3 304.777 3.712 20 0 DHADHM O=C(/C=C/c1ccnc2ccccc12)Nc1cc(F)ccc1[O-] ZINC000179644961 1020423205 /nfs/dbraw/zinc/42/32/05/1020423205.db2.gz LFNWTMKEOWHJBB-VMPITWQZSA-N -1 3 308.312 3.731 20 0 DHADHM CCCc1ccc2nccc(N3CCC(C)(C(=O)[O-])CC3)c2c1 ZINC000647457255 1020438267 /nfs/dbraw/zinc/43/82/67/1020438267.db2.gz BDYSPOZFYDILSI-UHFFFAOYSA-N -1 3 312.413 3.878 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C)c1 ZINC000055551417 1020450683 /nfs/dbraw/zinc/45/06/83/1020450683.db2.gz ZEAHAWNCJQBNKB-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM CC(C)(C)O[N-]C(=O)CCCOc1cccc2ccccc21 ZINC001116409546 1020455385 /nfs/dbraw/zinc/45/53/85/1020455385.db2.gz QJPYNRLCCQFHSZ-UHFFFAOYSA-N -1 3 301.386 3.845 20 0 DHADHM CC(=O)Nc1c(C)ccc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000055887789 1020465833 /nfs/dbraw/zinc/46/58/33/1020465833.db2.gz POFJSACKRSVAKC-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM Cc1ccccc1-c1csc([N-]c2ncnc3nn(C)cc32)n1 ZINC000163295827 1020517438 /nfs/dbraw/zinc/51/74/38/1020517438.db2.gz OQYGYZNSYCTRQY-UHFFFAOYSA-N -1 3 322.397 3.539 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)(F)c1ccccc1F ZINC000765876426 1020537138 /nfs/dbraw/zinc/53/71/38/1020537138.db2.gz YKEHNFIVGWNJRM-UHFFFAOYSA-N -1 3 315.678 3.915 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000132924874 1020582707 /nfs/dbraw/zinc/58/27/07/1020582707.db2.gz CFBKOXQTDNOQKQ-CHWSQXEVSA-N -1 3 319.763 3.605 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc2c(c1)CCC2 ZINC000734483239 1020614551 /nfs/dbraw/zinc/61/45/51/1020614551.db2.gz JXBJBBZHOCSDAN-UHFFFAOYSA-N -1 3 309.409 3.746 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000612633031 1020652036 /nfs/dbraw/zinc/65/20/36/1020652036.db2.gz VAMHWJJLCZHFSY-SHTZXODSSA-N -1 3 305.393 3.754 20 0 DHADHM CCC1(C(=O)NCc2ccc([O-])c(F)c2)CCC(F)(F)CC1 ZINC000612632803 1020652077 /nfs/dbraw/zinc/65/20/77/1020652077.db2.gz SEDHXTOMVRSCRV-UHFFFAOYSA-N -1 3 315.335 3.753 20 0 DHADHM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000735083877 1020690683 /nfs/dbraw/zinc/69/06/83/1020690683.db2.gz XJVKENVSMAMKEW-IUCAKERBSA-N -1 3 307.868 3.505 20 0 DHADHM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000613111101 1020813455 /nfs/dbraw/zinc/81/34/55/1020813455.db2.gz YQFLGMDINRZAHE-JSGCOSHPSA-N -1 3 315.344 3.672 20 0 DHADHM Cc1oc([N-]C(=O)c2scnc2C(F)(F)F)nc1C1CC1 ZINC000892524849 1020821263 /nfs/dbraw/zinc/82/12/63/1020821263.db2.gz PKSIDOFOBZSXJK-UHFFFAOYSA-N -1 3 317.292 3.588 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC000536220858 1020881021 /nfs/dbraw/zinc/88/10/21/1020881021.db2.gz OXUUIMOCSUJNRO-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2ccnn2Cc2cccnc2)c1F ZINC001214554633 1020900585 /nfs/dbraw/zinc/90/05/85/1020900585.db2.gz XBINPXKBEVZGJE-UHFFFAOYSA-N -1 3 318.739 3.568 20 0 DHADHM CCc1cc(=O)[n-]c(CN(CC)c2cccc3ccccc32)n1 ZINC001171944170 1032946418 /nfs/dbraw/zinc/94/64/18/1032946418.db2.gz XQBHIWOGGYPLED-UHFFFAOYSA-N -1 3 307.397 3.924 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000740922586 1020964543 /nfs/dbraw/zinc/96/45/43/1020964543.db2.gz NESGZZRNYSVBCT-LBPRGKRZSA-N -1 3 304.394 4.000 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C3CC=CC3)nc(=O)c2c1C ZINC000741043024 1020978483 /nfs/dbraw/zinc/97/84/83/1020978483.db2.gz LUQUPFOHPKEVPR-VIFPVBQESA-N -1 3 318.398 3.584 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(CSC)c2)c1 ZINC000609454091 1021018915 /nfs/dbraw/zinc/01/89/15/1021018915.db2.gz ADROGUDLDHSMDF-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM [O-]c1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)cc1F ZINC000737461046 1021098682 /nfs/dbraw/zinc/09/86/82/1021098682.db2.gz IFZXYLJBBFCLGU-UHFFFAOYSA-N -1 3 316.401 3.507 20 0 DHADHM Cc1cc2ccccc2c(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000414361700 1021131640 /nfs/dbraw/zinc/13/16/40/1021131640.db2.gz IDJPCRUULJBPIP-LBPRGKRZSA-N -1 3 322.286 3.525 20 0 DHADHM CC(C)N(Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163684282 1021192013 /nfs/dbraw/zinc/19/20/13/1021192013.db2.gz WFJDRQOHFZOAAL-UHFFFAOYSA-N -1 3 316.376 3.652 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OCC1CC1 ZINC000128613986 1021302890 /nfs/dbraw/zinc/30/28/90/1021302890.db2.gz ZACVKNLHEDVBLM-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128843166 1021358351 /nfs/dbraw/zinc/35/83/51/1021358351.db2.gz COBAHOKPAWMFMQ-NSHDSACASA-N -1 3 305.374 3.898 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1sccc1Br ZINC000129094932 1021426185 /nfs/dbraw/zinc/42/61/85/1021426185.db2.gz PLVOIRCKZFRYKA-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM Cc1cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)ccn1 ZINC001211647470 1021503787 /nfs/dbraw/zinc/50/37/87/1021503787.db2.gz RDEMKJSCSBYONH-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1csc(-c2ccoc2)n1 ZINC000129562289 1021513944 /nfs/dbraw/zinc/51/39/44/1021513944.db2.gz OFSZRCVMRDJUAH-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM CC[C@@H](Nc1cc(=O)[n-]c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000892756599 1021599452 /nfs/dbraw/zinc/59/94/52/1021599452.db2.gz DXWCMEJYWPUXFY-SSDOTTSWSA-N -1 3 318.324 3.529 20 0 DHADHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000350408602 1021808362 /nfs/dbraw/zinc/80/83/62/1021808362.db2.gz CKPNGXMAYMTIIR-LBPRGKRZSA-N -1 3 323.348 3.530 20 0 DHADHM O=C([O-])CC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000261980925 1021861687 /nfs/dbraw/zinc/86/16/87/1021861687.db2.gz RJHUUEGNGOALQJ-GFCCVEGCSA-N -1 3 315.335 3.782 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccco1)Cc1cccs1 ZINC000572562904 1021874337 /nfs/dbraw/zinc/87/43/37/1021874337.db2.gz GCNCMFANMGTITO-UHFFFAOYSA-N -1 3 300.383 3.644 20 0 DHADHM COc1ccc(Cl)cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556892023 1021935220 /nfs/dbraw/zinc/93/52/20/1021935220.db2.gz GFTLMKJWMFJJCY-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM COc1ccccc1C/C(C)=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000155141102 1021984496 /nfs/dbraw/zinc/98/44/96/1021984496.db2.gz LAZANKKQEUFWTQ-ZRDIBKRKSA-N -1 3 315.344 3.667 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C2CC2)C2CCCCC2)cc1[O-] ZINC000667059027 1033022136 /nfs/dbraw/zinc/02/21/36/1033022136.db2.gz RCAQUWAGAYFIKP-UHFFFAOYSA-N -1 3 301.386 3.532 20 0 DHADHM CC(C)Oc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000386434927 1022053605 /nfs/dbraw/zinc/05/36/05/1022053605.db2.gz PLVHIWRJLIQFRY-OAHLLOKOSA-N -1 3 319.426 3.841 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620204484 1022071779 /nfs/dbraw/zinc/07/17/79/1022071779.db2.gz NEYUEXZVBGIXSW-MRXNPFEDSA-N -1 3 319.420 3.893 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)cc(F)cc1F ZINC000153510150 1022079749 /nfs/dbraw/zinc/07/97/49/1022079749.db2.gz LIMDBBBRDBKIHO-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000153514317 1022083813 /nfs/dbraw/zinc/08/38/13/1022083813.db2.gz PYUTWIJDMBKSPA-INIZCTEOSA-N -1 3 317.772 3.688 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000920843777 1022183067 /nfs/dbraw/zinc/18/30/67/1022183067.db2.gz ITXYHNRQNRFAJK-HZMBPMFUSA-N -1 3 323.314 3.950 20 0 DHADHM CC(=O)CCC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153688421 1022240029 /nfs/dbraw/zinc/24/00/29/1022240029.db2.gz WZZAIKPTWAGMNI-UHFFFAOYSA-N -1 3 317.307 3.745 20 0 DHADHM [O-]c1cc(Nc2ncc(Br)cc2O)ccc1Cl ZINC001212587920 1022335785 /nfs/dbraw/zinc/33/57/85/1022335785.db2.gz AFRYMXVOCPMEDD-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM COC(=O)c1cc(Cl)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589224 1022359978 /nfs/dbraw/zinc/35/99/78/1022359978.db2.gz AUNMMPWMVGNWAG-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM Nc1ccc(Br)nc1Nc1ccc(Cl)c([O-])c1 ZINC001212589463 1022361365 /nfs/dbraw/zinc/36/13/65/1022361365.db2.gz MRLWJTLXMPWOIJ-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@H](C)c2ccccc21 ZINC001169383137 1022386617 /nfs/dbraw/zinc/38/66/17/1022386617.db2.gz ZYPJZUXXEUHRJT-NHYWBVRUSA-N -1 3 321.384 3.536 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@H](C)c2ccccc21 ZINC001169383137 1022386631 /nfs/dbraw/zinc/38/66/31/1022386631.db2.gz ZYPJZUXXEUHRJT-NHYWBVRUSA-N -1 3 321.384 3.536 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1C[C@@H](C)c2ccccc21 ZINC001169383135 1022386826 /nfs/dbraw/zinc/38/68/26/1022386826.db2.gz ZYPJZUXXEUHRJT-ABAIWWIYSA-N -1 3 321.384 3.536 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1C[C@@H](C)c2ccccc21 ZINC001169383135 1022386838 /nfs/dbraw/zinc/38/68/38/1022386838.db2.gz ZYPJZUXXEUHRJT-ABAIWWIYSA-N -1 3 321.384 3.536 20 0 DHADHM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000155274119 1022387545 /nfs/dbraw/zinc/38/75/45/1022387545.db2.gz YZFDLTXBWGUJJQ-MRXNPFEDSA-N -1 3 315.388 3.662 20 0 DHADHM [O-]c1cc(Nc2ncc(O)cc2Br)ccc1Cl ZINC001212590325 1022410255 /nfs/dbraw/zinc/41/02/55/1022410255.db2.gz GYERTZVKOODVRA-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3nc2C)n1 ZINC000155932840 1022426489 /nfs/dbraw/zinc/42/64/89/1022426489.db2.gz KJIMQTIIPYPSKS-NSHDSACASA-N -1 3 312.398 3.596 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC1(C)C ZINC000615475743 1022484187 /nfs/dbraw/zinc/48/41/87/1022484187.db2.gz XBYZETANJIKXEF-VIFPVBQESA-N -1 3 312.207 3.838 20 0 DHADHM Cc1ccc(S(C)(=O)=O)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212592485 1022491397 /nfs/dbraw/zinc/49/13/97/1022491397.db2.gz SIDNRHRLOUKFLS-UHFFFAOYSA-N -1 3 311.790 3.501 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1cccc2cccnc21 ZINC000112335077 1022494642 /nfs/dbraw/zinc/49/46/42/1022494642.db2.gz RDAHWAMYQYFCHH-UHFFFAOYSA-N -1 3 320.392 3.806 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000854581957 1022499871 /nfs/dbraw/zinc/49/98/71/1022499871.db2.gz XATMBGYRYMEWLJ-CABCVRRESA-N -1 3 321.380 3.791 20 0 DHADHM CSc1cnc(Cl)c(NCc2ncccc2[O-])c1Cl ZINC001169732100 1022525505 /nfs/dbraw/zinc/52/55/05/1022525505.db2.gz HXQKNKBTSLFSHZ-UHFFFAOYSA-N -1 3 316.213 3.823 20 0 DHADHM COC(=O)[C@@H]1CCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212594969 1022551715 /nfs/dbraw/zinc/55/17/15/1022551715.db2.gz FOQLIRAHVYUXQV-CQSZACIVSA-N -1 3 317.772 3.992 20 0 DHADHM O=c1cc(CNc2ccc(Cl)c(Cl)c2)nc(C2CC2)[n-]1 ZINC000416995838 1022555603 /nfs/dbraw/zinc/55/56/03/1022555603.db2.gz UGBNWPTXJBVYNK-UHFFFAOYSA-N -1 3 310.184 3.979 20 0 DHADHM Cc1c(F)ccc(Cl)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417029269 1022566713 /nfs/dbraw/zinc/56/67/13/1022566713.db2.gz NXCXJWNAZVMDFM-UHFFFAOYSA-N -1 3 307.756 3.773 20 0 DHADHM Cc1ccc([O-])c(CN2CC[C@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338968179 1022595595 /nfs/dbraw/zinc/59/55/95/1022595595.db2.gz LRPSCYFJGKDKCA-QGZVFWFLSA-N -1 3 320.795 3.820 20 0 DHADHM C[C@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)CC1(F)F ZINC000855807346 1022703244 /nfs/dbraw/zinc/70/32/44/1022703244.db2.gz REIISHBHKNJVDV-INIZCTEOSA-N -1 3 305.324 3.711 20 0 DHADHM Cc1c2cccc(F)c2oc1C(=O)[N-]c1c(F)ccnc1F ZINC001129367211 1022721450 /nfs/dbraw/zinc/72/14/50/1022721450.db2.gz HLDNOQJBMMJJJS-UHFFFAOYSA-N -1 3 306.243 3.806 20 0 DHADHM CCCN(CC1CC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621321506 1022724977 /nfs/dbraw/zinc/72/49/77/1022724977.db2.gz LFDKJBGODVWQIZ-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM CC1(C)[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1(F)F ZINC000856068744 1022746372 /nfs/dbraw/zinc/74/63/72/1022746372.db2.gz URAAUSGRNUHHNM-AWEZNQCLSA-N -1 3 305.324 3.567 20 0 DHADHM COc1cccc([C@@H](C)CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000184154929 1022747679 /nfs/dbraw/zinc/74/76/79/1022747679.db2.gz VDCCKUUBGLSIQI-ZDUSSCGKSA-N -1 3 317.360 3.576 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)CCC2(C)C)cc1[O-] ZINC000628533838 1022782858 /nfs/dbraw/zinc/78/28/58/1022782858.db2.gz TXXFLHONTIPFQH-UHFFFAOYSA-N -1 3 303.402 3.636 20 0 DHADHM Cc1ccc(CCCC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000184253992 1022795927 /nfs/dbraw/zinc/79/59/27/1022795927.db2.gz JRZMLPCERAZODO-UHFFFAOYSA-N -1 3 307.390 3.766 20 0 DHADHM COc1ccc(CCO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000767933373 1022842680 /nfs/dbraw/zinc/84/26/80/1022842680.db2.gz JLGDKAYXFCKYNB-UHFFFAOYSA-N -1 3 305.418 3.646 20 0 DHADHM CC[C@]1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621911669 1022931904 /nfs/dbraw/zinc/93/19/04/1022931904.db2.gz KZURHGBTLRHNKA-CQSZACIVSA-N -1 3 301.308 3.673 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(C(F)F)CC1 ZINC000621919535 1022943030 /nfs/dbraw/zinc/94/30/30/1022943030.db2.gz LIZFWVOBGJDXRZ-UHFFFAOYSA-N -1 3 323.261 3.528 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OCc2ccccc2)cc1C ZINC000857433142 1023005782 /nfs/dbraw/zinc/00/57/82/1023005782.db2.gz RNYRZYASQCDZIP-UHFFFAOYSA-N -1 3 313.397 3.710 20 0 DHADHM O=C(CCCOc1ccc2c(c1)CCCC2)[N-]OC1CCCC1 ZINC000857480339 1023017889 /nfs/dbraw/zinc/01/78/89/1023017889.db2.gz FNZIEQFZQFPAEP-UHFFFAOYSA-N -1 3 317.429 3.715 20 0 DHADHM O=C(OCc1ccc2c[nH]nc2c1)c1cc(Cl)c(Cl)[n-]1 ZINC000768790405 1023030986 /nfs/dbraw/zinc/03/09/86/1023030986.db2.gz JBDGQGZSPBNZSY-UHFFFAOYSA-N -1 3 310.140 3.555 20 0 DHADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622110371 1023040119 /nfs/dbraw/zinc/04/01/19/1023040119.db2.gz YCWXROPSICCTTF-KXUCPTDWSA-N -1 3 301.308 3.528 20 0 DHADHM O=C(Nc1ccc(N2CCCC2)cc1)c1cc([O-])ccc1Cl ZINC000319409614 1023074580 /nfs/dbraw/zinc/07/45/80/1023074580.db2.gz GIQMAMHASSARMS-UHFFFAOYSA-N -1 3 316.788 3.898 20 0 DHADHM C[C@H](CCCc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000162688577 1023099985 /nfs/dbraw/zinc/09/99/85/1023099985.db2.gz ZOMFYQMGRUVIHC-GFCCVEGCSA-N -1 3 303.324 3.646 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cccc4[nH]ccc43)n[n-]2)o1 ZINC000744275918 1023109442 /nfs/dbraw/zinc/10/94/42/1023109442.db2.gz ZLUUQOXPNUKZDE-UHFFFAOYSA-N -1 3 307.309 3.679 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3cccc4[nH]ccc43)[n-]n2)o1 ZINC000744275918 1023109443 /nfs/dbraw/zinc/10/94/43/1023109443.db2.gz ZLUUQOXPNUKZDE-UHFFFAOYSA-N -1 3 307.309 3.679 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000622336632 1023119235 /nfs/dbraw/zinc/11/92/35/1023119235.db2.gz WSVUDHWKOMRULD-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM CCSc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000769741798 1023208167 /nfs/dbraw/zinc/20/81/67/1023208167.db2.gz FFFCSDMWFGGVRO-LFIBNONCSA-N -1 3 309.390 3.609 20 0 DHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1csc2ccccc21 ZINC000770408523 1023307915 /nfs/dbraw/zinc/30/79/15/1023307915.db2.gz OMGFHHGFGJGVIO-JTQLQIEISA-N -1 3 313.378 3.804 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C3CCC3)cc2)n1 ZINC000660749801 1023394544 /nfs/dbraw/zinc/39/45/44/1023394544.db2.gz QDQZBKCZYSVECV-UHFFFAOYSA-N -1 3 311.429 3.783 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1ncc(C(C)(C)C)o1 ZINC000786032941 1023654187 /nfs/dbraw/zinc/65/41/87/1023654187.db2.gz XOLRFZMHBBVLAV-SECBINFHSA-N -1 3 302.330 3.964 20 0 DHADHM Cc1cc(COC(=O)c2cc3occc3[n-]2)c2ccccc2n1 ZINC000786032861 1023654587 /nfs/dbraw/zinc/65/45/87/1023654587.db2.gz DTUUNXFRETVDJC-UHFFFAOYSA-N -1 3 306.321 3.975 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cnc1Cl ZINC000787103527 1023759882 /nfs/dbraw/zinc/75/98/82/1023759882.db2.gz FYMUASDPJOOGEJ-UHFFFAOYSA-N -1 3 322.767 3.850 20 0 DHADHM CCc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3o2)c([O-])c1 ZINC000787108439 1023761197 /nfs/dbraw/zinc/76/11/97/1023761197.db2.gz DVTZTBXJVICKOS-GFCCVEGCSA-N -1 3 324.380 3.629 20 0 DHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000048653623 1023802891 /nfs/dbraw/zinc/80/28/91/1023802891.db2.gz CKTQLCLIAOMYTN-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(Nc1ccc(C2CCC2)cc1)c1nnc2ccccc2c1[O-] ZINC000787691343 1023812204 /nfs/dbraw/zinc/81/22/04/1023812204.db2.gz QHMQTWSELBILTM-UHFFFAOYSA-N -1 3 319.364 3.855 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OC[C@H]1CC1(Cl)Cl ZINC000787847931 1023827023 /nfs/dbraw/zinc/82/70/23/1023827023.db2.gz JQVCLKJCRXBGNJ-SNVBAGLBSA-N -1 3 321.175 3.591 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(CC(C)C)cc2)[n-]1 ZINC000788506939 1023897257 /nfs/dbraw/zinc/89/72/57/1023897257.db2.gz ZVYBXCKJVDBQPR-UHFFFAOYSA-N -1 3 304.415 3.687 20 0 DHADHM O=C([O-])CCCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652512781 1023904673 /nfs/dbraw/zinc/90/46/73/1023904673.db2.gz ONJOTEUGLSMPDP-BZSNNMDCSA-N -1 3 317.429 3.626 20 0 DHADHM CCc1cccc(F)c1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663260899 1023987981 /nfs/dbraw/zinc/98/79/81/1023987981.db2.gz DURBGEGNGBJWRW-NSHDSACASA-N -1 3 321.314 3.521 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCCCc3ccccc32)c1 ZINC000538765903 1033179237 /nfs/dbraw/zinc/17/92/37/1033179237.db2.gz PFXLHAPSJJWMPN-UHFFFAOYSA-N -1 3 311.381 3.774 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882745136 1024117221 /nfs/dbraw/zinc/11/72/21/1024117221.db2.gz FVCCMZCPLMOVNW-GUYCJALGSA-N -1 3 311.356 3.535 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3=CCCCCC3)c2)n1 ZINC000126259468 1033192013 /nfs/dbraw/zinc/19/20/13/1033192013.db2.gz XSIDHUOZEPAHOZ-UHFFFAOYSA-N -1 3 324.380 3.541 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000531522701 1024194217 /nfs/dbraw/zinc/19/42/17/1024194217.db2.gz KRTFHWUMRKRRRX-HXUWFJFHSA-N -1 3 309.409 3.758 20 0 DHADHM COc1ccc(NCc2ccc([O-])c(F)c2)cc1OC(C)C ZINC000893591972 1024273624 /nfs/dbraw/zinc/27/36/24/1024273624.db2.gz JINXOPONGGTFSW-UHFFFAOYSA-N -1 3 305.349 3.939 20 0 DHADHM CCCCCc1ccc(OS(=O)(=O)c2c(C)n[n-]c2C)cc1 ZINC000790348657 1024285353 /nfs/dbraw/zinc/28/53/53/1024285353.db2.gz ZRJCOTRNBBCSKT-UHFFFAOYSA-N -1 3 322.430 3.527 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCSCC(C)C)n1 ZINC000337860938 1033206629 /nfs/dbraw/zinc/20/66/29/1033206629.db2.gz XUCCVSJIBCIYRJ-UHFFFAOYSA-N -1 3 300.493 3.757 20 0 DHADHM CC(C)(C)C(=O)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000270405912 1024385847 /nfs/dbraw/zinc/38/58/47/1024385847.db2.gz XVDQOGJSXMNDSV-UHFFFAOYSA-N -1 3 311.381 3.537 20 0 DHADHM COc1ccc2oc(C(=O)[N-]c3c(F)ccnc3F)c(C)c2c1 ZINC001274527772 1024415043 /nfs/dbraw/zinc/41/50/43/1024415043.db2.gz XXYQADIYMWBLSQ-UHFFFAOYSA-N -1 3 318.279 3.675 20 0 DHADHM CN(C(=O)c1cc2sccc2c([O-])c1)C(C1CC1)C1CC1 ZINC000791341670 1024475347 /nfs/dbraw/zinc/47/53/47/1024475347.db2.gz UJIUGBKPQMPKQE-UHFFFAOYSA-N -1 3 301.411 3.868 20 0 DHADHM CO[C@]1(C)C[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1(C)C ZINC000791375514 1024478965 /nfs/dbraw/zinc/47/89/65/1024478965.db2.gz PRZWYRRWAYOMPO-WMLDXEAASA-N -1 3 319.426 3.540 20 0 DHADHM CCCCC[C@H](NC(=O)NCc1ncccc1[O-])C(C)(C)C ZINC000792090831 1024629948 /nfs/dbraw/zinc/62/99/48/1024629948.db2.gz DIHMRAAUQWCDHZ-HNNXBMFYSA-N -1 3 307.438 3.581 20 0 DHADHM O=C(Oc1ccc([C@H]2CCOC2)cc1)c1cc2ccsc2[n-]1 ZINC000792159877 1024638974 /nfs/dbraw/zinc/63/89/74/1024638974.db2.gz USCCZPHKPUUVOO-ZDUSSCGKSA-N -1 3 313.378 3.953 20 0 DHADHM C[C@@H](O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792213706 1024653110 /nfs/dbraw/zinc/65/31/10/1024653110.db2.gz IOPWEBXDGOMJDB-CYBMUJFWSA-N -1 3 321.376 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1 ZINC000800207454 1024739089 /nfs/dbraw/zinc/73/90/89/1024739089.db2.gz YWWJNZOMZXISEM-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1 ZINC000800207454 1024739102 /nfs/dbraw/zinc/73/91/02/1024739102.db2.gz YWWJNZOMZXISEM-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1 ZINC000800207454 1024739121 /nfs/dbraw/zinc/73/91/21/1024739121.db2.gz YWWJNZOMZXISEM-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc([O-])ccc1Cl ZINC000349729351 1024745543 /nfs/dbraw/zinc/74/55/43/1024745543.db2.gz IQPNRBMHTZUGLR-OAHLLOKOSA-N -1 3 317.772 3.559 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)c2cccc(C(C)C)c2)cc1[O-] ZINC000667186226 1033244673 /nfs/dbraw/zinc/24/46/73/1033244673.db2.gz IPRMSNJMZGCQBB-UHFFFAOYSA-N -1 3 311.381 3.995 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cnc(-c2cccs2)s1 ZINC000263358982 1024943474 /nfs/dbraw/zinc/94/34/74/1024943474.db2.gz ROTHSRKLDFAIOK-MNOVXSKESA-N -1 3 322.455 3.557 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CCCC(F)(F)F)c1 ZINC000613982211 1024966065 /nfs/dbraw/zinc/96/60/65/1024966065.db2.gz NMKAZRSASNRQFL-SECBINFHSA-N -1 3 321.364 3.965 20 0 DHADHM CCO[C@H](CNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000353231871 1024994084 /nfs/dbraw/zinc/99/40/84/1024994084.db2.gz NQLJZCDLMAXECX-MRXNPFEDSA-N -1 3 307.340 3.538 20 0 DHADHM [O-]c1ccc(F)c(CNCc2c(F)cc(F)c(F)c2F)c1F ZINC000353318115 1025025726 /nfs/dbraw/zinc/02/57/26/1025025726.db2.gz SCWGYCJMPDDLMT-UHFFFAOYSA-N -1 3 321.220 3.517 20 0 DHADHM CC1(C)CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H]1C1CC1 ZINC000793416095 1025025798 /nfs/dbraw/zinc/02/57/98/1025025798.db2.gz PTRHPNQZNTZUIW-OAHLLOKOSA-N -1 3 301.411 3.868 20 0 DHADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000436702485 1025192447 /nfs/dbraw/zinc/19/24/47/1025192447.db2.gz FFKLKUWVPABXEC-SUMWQHHRSA-N -1 3 311.381 3.624 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Sc2ccccn2)cc1 ZINC000354160018 1025371591 /nfs/dbraw/zinc/37/15/91/1025371591.db2.gz AEMWORGGDLWJMU-UHFFFAOYSA-N -1 3 323.377 3.586 20 0 DHADHM CCCc1nc(CSCc2nc(CC)cc(=O)[n-]2)cs1 ZINC000125701762 1025491647 /nfs/dbraw/zinc/49/16/47/1025491647.db2.gz BUPZVMSFFTXPOQ-UHFFFAOYSA-N -1 3 309.460 3.587 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)C)s3)n[n-]2)o1 ZINC000355217574 1025643577 /nfs/dbraw/zinc/64/35/77/1025643577.db2.gz BRGKJPLAPOOJBN-UHFFFAOYSA-N -1 3 316.386 3.810 20 0 DHADHM COc1ccc(C)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC000041507880 1025890678 /nfs/dbraw/zinc/89/06/78/1025890678.db2.gz YPRRRONPWYCYRI-UHFFFAOYSA-N -1 3 300.305 3.768 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1sc(C)cc1OC(F)F ZINC000089398502 1026045414 /nfs/dbraw/zinc/04/54/14/1026045414.db2.gz LMJBVFVBMBSYDF-UHFFFAOYSA-N -1 3 316.329 3.769 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1N(C)C ZINC000764646723 1026102345 /nfs/dbraw/zinc/10/23/45/1026102345.db2.gz DWDPSCWBCFXEOQ-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1cnc(-c2ccccc2)s1 ZINC001131429285 1026371353 /nfs/dbraw/zinc/37/13/53/1026371353.db2.gz YBXHESNODPRBMP-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)cs1 ZINC000614434839 1026429002 /nfs/dbraw/zinc/42/90/02/1026429002.db2.gz VGRUBNMWEXSIER-ZETCQYMHSA-N -1 3 317.439 3.954 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC23CCCCC3)cc1[O-] ZINC000408470507 1026435590 /nfs/dbraw/zinc/43/55/90/1026435590.db2.gz WNBHYLSZLVOMME-UHFFFAOYSA-N -1 3 301.386 3.534 20 0 DHADHM Cc1cc([O-])c(I)c(O[C@@H](C)C(C)C)c1 ZINC001225510026 1026466750 /nfs/dbraw/zinc/46/67/50/1026466750.db2.gz CBAHGGVOFXPTRJ-VIFPVBQESA-N -1 3 320.170 3.729 20 0 DHADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccn1 ZINC000810423834 1026758853 /nfs/dbraw/zinc/75/88/53/1026758853.db2.gz HBJLBSIRMLSQFU-HNNXBMFYSA-N -1 3 304.777 3.568 20 0 DHADHM O=C(OC[C@@H]1CCCS1)c1cc2cc(Cl)sc2[n-]1 ZINC000810602504 1026805103 /nfs/dbraw/zinc/80/51/03/1026805103.db2.gz RAGDYDFHBVQLQA-QMMMGPOBSA-N -1 3 301.820 3.935 20 0 DHADHM Cc1cccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000810634152 1026812982 /nfs/dbraw/zinc/81/29/82/1026812982.db2.gz FNDYDLCTGWXDLS-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM CC[C@@H](CCOC)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810641054 1026815132 /nfs/dbraw/zinc/81/51/32/1026815132.db2.gz QOICRXAELANRTN-VIFPVBQESA-N -1 3 301.795 3.855 20 0 DHADHM O=C([N-]OC1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000810690070 1026829821 /nfs/dbraw/zinc/82/98/21/1026829821.db2.gz QLCARRJJHIPOGO-ZDUSSCGKSA-N -1 3 322.836 3.547 20 0 DHADHM O=C(OCC[C@H]1CCCC1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394300 1026992454 /nfs/dbraw/zinc/99/24/54/1026992454.db2.gz AEPIWTFTDGOPCF-MRVPVSSYSA-N -1 3 311.790 3.799 20 0 DHADHM Cc1c([O-])ccc2c(CSc3ccc(O)cc3)cc(=O)oc12 ZINC000047894868 1027100638 /nfs/dbraw/zinc/10/06/38/1027100638.db2.gz ZJCVCPZJIZXPDW-UHFFFAOYSA-N -1 3 314.362 3.805 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])ccc2Cl)o1 ZINC000571210786 1027109906 /nfs/dbraw/zinc/10/99/06/1027109906.db2.gz MVPRNCAALLWKHO-BXKDBHETSA-N -1 3 305.761 3.692 20 0 DHADHM O=C(C[C@@H]1C=CCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362259546 1027117278 /nfs/dbraw/zinc/11/72/78/1027117278.db2.gz DYPXZQJZZHWDNK-LLVKDONJSA-N -1 3 308.341 3.513 20 0 DHADHM O=C(C[C@H]1C=CCCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362264687 1027120476 /nfs/dbraw/zinc/12/04/76/1027120476.db2.gz YLFIYWVITSEVSW-LBPRGKRZSA-N -1 3 322.368 3.903 20 0 DHADHM Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cn1 ZINC000362337020 1027153646 /nfs/dbraw/zinc/15/36/46/1027153646.db2.gz YISQJRFJHWPNRO-UHFFFAOYSA-N -1 3 306.152 3.600 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(OC3CCCC3)CC2)c1F ZINC000295331000 1027203094 /nfs/dbraw/zinc/20/30/94/1027203094.db2.gz LZRYVHMRNPIGPY-UHFFFAOYSA-N -1 3 311.372 3.594 20 0 DHADHM Cc1ccccc1C[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000562080761 1027220787 /nfs/dbraw/zinc/22/07/87/1027220787.db2.gz XXLBIMMSVAKZFH-LBPRGKRZSA-N -1 3 303.789 3.715 20 0 DHADHM CC[C@@H](C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000295402845 1027257429 /nfs/dbraw/zinc/25/74/29/1027257429.db2.gz QVOFEHMHXPYPRX-RDDDGLTNSA-N -1 3 309.715 3.752 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)c1ccccc1C(F)(F)F ZINC000812409586 1027269888 /nfs/dbraw/zinc/26/98/88/1027269888.db2.gz SXZHROKVJVHBDT-VAWSOJLPSA-N -1 3 321.726 3.999 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OC/C=C/Cl)c(Cl)c1 ZINC000812408325 1027284515 /nfs/dbraw/zinc/28/45/15/1027284515.db2.gz OSNGWFDPYUVEFA-XVNBXDOJSA-N -1 3 318.200 3.608 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OC/C=C/Cl ZINC000812405923 1027284388 /nfs/dbraw/zinc/28/43/88/1027284388.db2.gz KQMTUXCVHQYDJH-XCVCLJGOSA-N -1 3 317.772 3.603 20 0 DHADHM CCc1ccc(C(=O)N(Cc2ccc(Cl)cc2)OC)c([O-])c1 ZINC000812800260 1027427429 /nfs/dbraw/zinc/42/74/29/1027427429.db2.gz UKIVBPGESYFSKJ-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM CC(=O)OCCCc1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC000813338232 1027611820 /nfs/dbraw/zinc/61/18/20/1027611820.db2.gz YBUIXBQAGJUDOT-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000813838681 1027739045 /nfs/dbraw/zinc/73/90/45/1027739045.db2.gz NRWKMUCOWUSWCU-GFCCVEGCSA-N -1 3 315.316 3.678 20 0 DHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cccc([O-])c1F ZINC000577573683 1027825437 /nfs/dbraw/zinc/82/54/37/1027825437.db2.gz PNYUOYRXUFIPKZ-GFCCVEGCSA-N -1 3 324.355 3.897 20 0 DHADHM COc1ccc([C@@H](NCc2cccc([O-])c2Cl)C2CC2)cn1 ZINC000527842205 1027918523 /nfs/dbraw/zinc/91/85/23/1027918523.db2.gz MVDHWZFZHYZVDG-KRWDZBQOSA-N -1 3 318.804 3.690 20 0 DHADHM O=C([N-][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C(F)F ZINC000365507836 1027956751 /nfs/dbraw/zinc/95/67/51/1027956751.db2.gz JVABATZOIQZYGP-MRVPVSSYSA-N -1 3 310.127 3.588 20 0 DHADHM Cc1nc2c(s1)[C@H](NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000365599532 1027980037 /nfs/dbraw/zinc/98/00/37/1027980037.db2.gz NYHZCNKWCKISRL-CYBMUJFWSA-N -1 3 322.817 3.618 20 0 DHADHM COc1ccc2occ(C(=O)Nc3cccc([O-])c3F)c2c1 ZINC000578111534 1028055079 /nfs/dbraw/zinc/05/50/79/1028055079.db2.gz DPEUUIPSBIHVEE-UHFFFAOYSA-N -1 3 301.273 3.538 20 0 DHADHM COc1cc([C@@H](C)NCc2nc(C)cc(=O)[n-]2)cc2ccccc21 ZINC000934630193 1028059072 /nfs/dbraw/zinc/05/90/72/1028059072.db2.gz HFEZCXGDCUXDGX-CYBMUJFWSA-N -1 3 323.396 3.503 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](c2ccco2)C1 ZINC000366227104 1028065512 /nfs/dbraw/zinc/06/55/12/1028065512.db2.gz ZQIUCPXCVANLDM-CQSZACIVSA-N -1 3 307.349 3.768 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(OCC2CC2)cc1 ZINC000448978510 1028225790 /nfs/dbraw/zinc/22/57/90/1028225790.db2.gz CTDBSUFJNCPDIM-UHFFFAOYSA-N -1 3 315.344 3.501 20 0 DHADHM CC(C)c1ccc([C@H](C)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000564151496 1028328540 /nfs/dbraw/zinc/32/85/40/1028328540.db2.gz GWINGVVUXRJQBO-BBRMVZONSA-N -1 3 314.433 3.574 20 0 DHADHM FC(F)c1nnc([N-][C@@H](c2cccnc2)C2CCCCC2)o1 ZINC000368639883 1028387833 /nfs/dbraw/zinc/38/78/33/1028387833.db2.gz YRADZRSQJUPKFM-GFCCVEGCSA-N -1 3 308.332 4.136 20 0 DHADHM COC(=O)Nc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000815140445 1028395181 /nfs/dbraw/zinc/39/51/81/1028395181.db2.gz XCQSRFDIYRXTHA-UHFFFAOYSA-N -1 3 320.776 3.514 20 0 DHADHM CCc1cncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000564705635 1028494041 /nfs/dbraw/zinc/49/40/41/1028494041.db2.gz RLKRZHKKVVAKPE-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM O=C(Nc1cccc(-c2cnco2)c1)c1cc([O-])ccc1Cl ZINC000370068935 1028560456 /nfs/dbraw/zinc/56/04/56/1028560456.db2.gz CHKKQKISGHURLA-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000372213268 1028825258 /nfs/dbraw/zinc/82/52/58/1028825258.db2.gz XDXOWRMJDNZLFG-AWEZNQCLSA-N -1 3 323.799 3.564 20 0 DHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000567365520 1028878777 /nfs/dbraw/zinc/87/87/77/1028878777.db2.gz DKJVRSCEUFPQJH-SMDDNHRTSA-N -1 3 311.809 3.825 20 0 DHADHM O=C(NN1CCCc2ccccc21)c1cc([O-])c2ccccc2c1 ZINC000816495854 1028898126 /nfs/dbraw/zinc/89/81/26/1028898126.db2.gz LTMVNYKGNAZFSD-UHFFFAOYSA-N -1 3 318.376 3.643 20 0 DHADHM CCN(Cc1cccc([O-])c1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000816514666 1028920187 /nfs/dbraw/zinc/92/01/87/1028920187.db2.gz FCWRXZUJVWJCQR-KRWDZBQOSA-N -1 3 319.832 3.910 20 0 DHADHM Cc1ccc(CSCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001135640658 1028956145 /nfs/dbraw/zinc/95/61/45/1028956145.db2.gz OLJRSFXSXUJHRR-UHFFFAOYSA-N -1 3 315.438 3.672 20 0 DHADHM C[C@@H](CCC1CCCCC1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568198570 1029023092 /nfs/dbraw/zinc/02/30/92/1029023092.db2.gz CEKUDRLCOYGCHZ-LBPRGKRZSA-N -1 3 317.433 3.538 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000816979250 1029048110 /nfs/dbraw/zinc/04/81/10/1029048110.db2.gz LFDYVMMAZAKWHJ-NOZJJQNGSA-N -1 3 320.216 3.511 20 0 DHADHM CCC1(CNC(=O)c2cc3sccc3c([O-])c2)CCOCC1 ZINC000816984812 1029050829 /nfs/dbraw/zinc/05/08/29/1029050829.db2.gz IKIRAESRINCJLC-UHFFFAOYSA-N -1 3 319.426 3.544 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000568750919 1029119143 /nfs/dbraw/zinc/11/91/43/1029119143.db2.gz PEUQZOWBMLDTCC-PSASIEDQSA-N -1 3 316.170 3.622 20 0 DHADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817324851 1029126989 /nfs/dbraw/zinc/12/69/89/1029126989.db2.gz QWZDXAQGWCVIBQ-JTQLQIEISA-N -1 3 301.308 3.657 20 0 DHADHM Cc1cnc(F)cc1Nc1cc(Br)cc(F)c1[O-] ZINC001212852779 1029134133 /nfs/dbraw/zinc/13/41/33/1029134133.db2.gz KCKCZTIQWOEKPS-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1coc(Br)c1 ZINC000569717476 1029256366 /nfs/dbraw/zinc/25/63/66/1029256366.db2.gz AZEFDEYYBWAUBO-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c([O-])c1 ZINC000817929028 1029272666 /nfs/dbraw/zinc/27/26/66/1029272666.db2.gz CLZGCYGZXDBTHY-OAHLLOKOSA-N -1 3 302.418 3.549 20 0 DHADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(N)cc2[O-])cc1C ZINC000817923589 1029276822 /nfs/dbraw/zinc/27/68/22/1029276822.db2.gz CDQLJKCZVFBVRU-QGZVFWFLSA-N -1 3 310.397 3.569 20 0 DHADHM Cc1csc(C(C)(C)NCc2c([O-])ccc(Cl)c2F)n1 ZINC000191096220 1029286167 /nfs/dbraw/zinc/28/61/67/1029286167.db2.gz OEDCYXFRTZWPOY-UHFFFAOYSA-N -1 3 314.813 3.975 20 0 DHADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000629372039 1029316603 /nfs/dbraw/zinc/31/66/03/1029316603.db2.gz BBJHXXBLQDFWFG-AOIWGVFYSA-N -1 3 324.424 3.618 20 0 DHADHM CCCCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(C)c1 ZINC000155858610 1029318929 /nfs/dbraw/zinc/31/89/29/1029318929.db2.gz QSYPYHCYFUYUCT-MRXNPFEDSA-N -1 3 322.405 3.754 20 0 DHADHM CCCCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C)c1 ZINC000155858610 1029318944 /nfs/dbraw/zinc/31/89/44/1029318944.db2.gz QSYPYHCYFUYUCT-MRXNPFEDSA-N -1 3 322.405 3.754 20 0 DHADHM O=C(c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1)C1CCC1 ZINC000570264264 1029341486 /nfs/dbraw/zinc/34/14/86/1029341486.db2.gz CQEQXBLWRQXMSQ-UHFFFAOYSA-N -1 3 323.396 3.655 20 0 DHADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1cccc([O-])c1F ZINC000570672335 1029403734 /nfs/dbraw/zinc/40/37/34/1029403734.db2.gz QADVLRVURLJVMY-INIZCTEOSA-N -1 3 315.344 3.564 20 0 DHADHM CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)cc1[O-] ZINC000412357171 1029415902 /nfs/dbraw/zinc/41/59/02/1029415902.db2.gz HBKUVXNQLZWWBX-SFHVURJKSA-N -1 3 323.392 3.518 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000529939494 1029659128 /nfs/dbraw/zinc/65/91/28/1029659128.db2.gz VRXPMCFDMFQWMI-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000820147621 1029676459 /nfs/dbraw/zinc/67/64/59/1029676459.db2.gz YEZOKOQTPORNQK-QMMMGPOBSA-N -1 3 317.286 3.654 20 0 DHADHM O=C(C=Cc1ccc(Cl)s1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218532 1029703528 /nfs/dbraw/zinc/70/35/28/1029703528.db2.gz MCTFPULOCGCYCH-UTCJRWHESA-N -1 3 319.773 3.635 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303429797 1029749498 /nfs/dbraw/zinc/74/94/98/1029749498.db2.gz BRGIHNHBXQBZNR-NWDGAFQWSA-N -1 3 322.286 3.548 20 0 DHADHM CC(C)[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000530333036 1029815416 /nfs/dbraw/zinc/81/54/16/1029815416.db2.gz HAINXNKFWJPIOW-MRXNPFEDSA-N -1 3 307.409 3.891 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000794866686 1030017340 /nfs/dbraw/zinc/01/73/40/1030017340.db2.gz ULNBWTPISUYHSZ-NSHDSACASA-N -1 3 319.323 3.612 20 0 DHADHM Cc1cc(OCC(=O)Nc2cc(F)ccc2[O-])ccc1Cl ZINC000530895996 1030060739 /nfs/dbraw/zinc/06/07/39/1030060739.db2.gz XPYUANZTDWONPX-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CC(C)c1csc(CNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000290636492 1030134530 /nfs/dbraw/zinc/13/45/30/1030134530.db2.gz YIHCCANLUDMFQH-UHFFFAOYSA-N -1 3 310.806 3.556 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000533159820 1030161833 /nfs/dbraw/zinc/16/18/33/1030161833.db2.gz YZXJXCVIMASMCB-KDOFPFPSSA-N -1 3 313.784 3.888 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2nn(C)c(C)c2Cl)CC)n1 ZINC000557680769 1030243853 /nfs/dbraw/zinc/24/38/53/1030243853.db2.gz QBTKOXNLSCUSJK-FLIBITNWSA-N -1 3 320.824 3.781 20 0 DHADHM CCC(F)(F)C(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000823723308 1030380454 /nfs/dbraw/zinc/38/04/54/1030380454.db2.gz FLMMNBJSJVSDSO-UHFFFAOYSA-N -1 3 304.749 3.611 20 0 DHADHM C[S@@](=O)(=NC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCCC1 ZINC000926011345 1030575746 /nfs/dbraw/zinc/57/57/46/1030575746.db2.gz RPDPUSARDJZDHK-IBGZPJMESA-N -1 3 323.245 3.892 20 0 DHADHM CC(C)(C)NC(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212007653 1030643954 /nfs/dbraw/zinc/64/39/54/1030643954.db2.gz UKMYZKGMKNWDNJ-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM COc1ccc2cc(Nc3ccc([O-])c(F)c3F)ccc2n1 ZINC001212011049 1030655047 /nfs/dbraw/zinc/65/50/47/1030655047.db2.gz OLBZZWQGXXZPDH-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM O=C1CCCc2ccc(Nc3ccc([O-])c(F)c3F)cc2N1 ZINC001212011144 1030655070 /nfs/dbraw/zinc/65/50/70/1030655070.db2.gz UWZYFYMNZKMPTQ-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)cc(Cl)c3)n[n-]2)o1 ZINC000358995275 1030717778 /nfs/dbraw/zinc/71/77/78/1030717778.db2.gz CVSZYALQOXVADG-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)c2ccccc2C(C)C)cc1[O-] ZINC000614952725 1030867972 /nfs/dbraw/zinc/86/79/72/1030867972.db2.gz JYSGLBPKGAQOKU-UHFFFAOYSA-N -1 3 311.381 3.995 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC(C)(C3CC3)CC2)c1 ZINC000615039287 1030946219 /nfs/dbraw/zinc/94/62/19/1030946219.db2.gz IKYWOLPDVAWSKW-UHFFFAOYSA-N -1 3 305.443 3.766 20 0 DHADHM CCCO[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000844087593 1030952498 /nfs/dbraw/zinc/95/24/98/1030952498.db2.gz CEAJMSGPMCVUGY-VIFPVBQESA-N -1 3 318.186 3.540 20 0 DHADHM CC(C)n1nccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000359521154 1031003159 /nfs/dbraw/zinc/00/31/59/1031003159.db2.gz CGVSHSXFPXCNJU-SSZFMOIBSA-N -1 3 320.396 3.743 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000359636721 1031071802 /nfs/dbraw/zinc/07/18/02/1031071802.db2.gz IYVIPSIFGJAROY-SSDOTTSWSA-N -1 3 320.133 3.529 20 0 DHADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000292745709 1031155000 /nfs/dbraw/zinc/15/50/00/1031155000.db2.gz QQPWUNYKEISYBR-HNNXBMFYSA-N -1 3 319.445 3.935 20 0 DHADHM C[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1 ZINC000871212132 1031162362 /nfs/dbraw/zinc/16/23/62/1031162362.db2.gz YFILEVCBYOEIMQ-SNVBAGLBSA-N -1 3 307.287 3.710 20 0 DHADHM O=C(Cc1coc2cc(F)ccc12)[N-]OCCCC(F)(F)F ZINC000871213821 1031164051 /nfs/dbraw/zinc/16/40/51/1031164051.db2.gz ZSYSZBOSXMVBDE-UHFFFAOYSA-N -1 3 319.254 3.505 20 0 DHADHM C[C@@]1(C(=O)[N-]OCCCC(F)(F)F)CCc2ccccc2C1 ZINC000871213721 1031165359 /nfs/dbraw/zinc/16/53/59/1031165359.db2.gz YDCCHLWPFVPHRG-OAHLLOKOSA-N -1 3 315.335 3.572 20 0 DHADHM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccccc2)s1 ZINC000263437431 1031196063 /nfs/dbraw/zinc/19/60/63/1031196063.db2.gz VBBBZLUYXOKPCA-OAHLLOKOSA-N -1 3 301.411 3.854 20 0 DHADHM O=C([O-])CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000871622025 1031249793 /nfs/dbraw/zinc/24/97/93/1031249793.db2.gz WRAFVQUFSDXLLO-CXLRFSCWSA-N -1 3 309.356 3.555 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)SC[C@@H]2OCCc3ccccc32)n1 ZINC000871695583 1031271170 /nfs/dbraw/zinc/27/11/70/1031271170.db2.gz CTWXXPUMWPMSCN-WFASDCNBSA-N -1 3 316.426 3.599 20 0 DHADHM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000928383307 1031293595 /nfs/dbraw/zinc/29/35/95/1031293595.db2.gz HVMNELSYDIHJIM-CXAGYDPISA-N -1 3 311.381 3.506 20 0 DHADHM CO[C@@H](C)c1nc(CN[C@H](C)c2cccc([O-])c2F)cs1 ZINC000872041766 1031425697 /nfs/dbraw/zinc/42/56/97/1031425697.db2.gz KVFOVHJZTBGRFH-ZJUUUORDSA-N -1 3 310.394 3.546 20 0 DHADHM COCC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872060345 1031454046 /nfs/dbraw/zinc/45/40/46/1031454046.db2.gz PAZDNYFBEFDXJW-TZMCWYRMSA-N -1 3 307.365 3.861 20 0 DHADHM C[C@@H](NCc1cnccc1C(F)(F)F)c1cccc([O-])c1F ZINC000872088275 1031485398 /nfs/dbraw/zinc/48/53/98/1031485398.db2.gz PDUKEZNFHBPXLN-SECBINFHSA-N -1 3 314.282 3.796 20 0 DHADHM COc1ccc([C@@H](N[C@@H](C)c2cccc([O-])c2F)C2CC2)cn1 ZINC000872090920 1031488276 /nfs/dbraw/zinc/48/82/76/1031488276.db2.gz FWFVIZYVLVNLGQ-VOJFVSQTSA-N -1 3 316.376 3.737 20 0 DHADHM [O-]c1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1Cl ZINC000293861974 1031663048 /nfs/dbraw/zinc/66/30/48/1031663048.db2.gz IJEHGICACIQUMC-GOEBONIOSA-N -1 3 307.821 3.579 20 0 DHADHM COc1cccc([C@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144664150 1031800052 /nfs/dbraw/zinc/80/00/52/1031800052.db2.gz XILHAPLPNOUQHC-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM CCOC(=O)c1[n-]cnc1NC(=O)CCCCCC(C)(C)C ZINC001144677054 1031812927 /nfs/dbraw/zinc/81/29/27/1031812927.db2.gz ZIMHSSAYOXWAAO-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM CCOC(=O)c1nc[n-]c1NC(=O)CCCCCC(C)(C)C ZINC001144677054 1031812938 /nfs/dbraw/zinc/81/29/38/1031812938.db2.gz ZIMHSSAYOXWAAO-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1ccc(C2CC2)cc1 ZINC001144719417 1031868801 /nfs/dbraw/zinc/86/88/01/1031868801.db2.gz HWZDYGIKWVHIQU-UHFFFAOYSA-N -1 3 309.365 3.653 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@H](CC)CO1 ZINC000846375268 1031970245 /nfs/dbraw/zinc/97/02/45/1031970245.db2.gz NXDHMOVNBKCKBI-CHWSQXEVSA-N -1 3 319.426 3.637 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888019320 1033464233 /nfs/dbraw/zinc/46/42/33/1033464233.db2.gz ODTFFOXFWLDSSG-GFCCVEGCSA-N -1 3 309.287 3.570 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(Cn3ccnc3)cc2)cc1F ZINC001212698363 1033502328 /nfs/dbraw/zinc/50/23/28/1033502328.db2.gz PMGLASFMZQCHKR-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM Cc1cc(-c2noc(-c3cncc([O-])c3)n2)cc(C(F)(F)F)c1 ZINC001212708369 1033570026 /nfs/dbraw/zinc/57/00/26/1033570026.db2.gz GQHTUNKCKSELQI-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM 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ZINC001176371925 1035260230 /nfs/dbraw/zinc/26/02/30/1035260230.db2.gz SJLHKRYELCNGKD-UHFFFAOYSA-N -1 3 318.167 3.591 20 0 DHADHM CCC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccn1 ZINC000668256241 1035284974 /nfs/dbraw/zinc/28/49/74/1035284974.db2.gz ULRQPFCRGGBGQV-OAHLLOKOSA-N -1 3 316.426 3.780 20 0 DHADHM Cn1cc(Nc2cc(F)c([O-])cc2F)c(-c2ccccc2)n1 ZINC001176567557 1035296959 /nfs/dbraw/zinc/29/69/59/1035296959.db2.gz BULLADMAFHVYGB-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM O=c1cc(Nc2cc(O)cc(Cl)c2)[n-]n1-c1ccccc1 ZINC001176623804 1035303016 /nfs/dbraw/zinc/30/30/16/1035303016.db2.gz GTHFQFCVLGBNEY-UHFFFAOYSA-N -1 3 301.733 3.681 20 0 DHADHM Cc1cnccc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000904002239 1035337079 /nfs/dbraw/zinc/33/70/79/1035337079.db2.gz QQZAGEJAPPSTIL-GOSISDBHSA-N -1 3 312.413 3.819 20 0 DHADHM CCc1ncc(CN[C@@H](CC(=O)[O-])c2ccccc2CC)s1 ZINC000904033522 1035347020 /nfs/dbraw/zinc/34/70/20/1035347020.db2.gz TYZJURJPWXSVJQ-HNNXBMFYSA-N -1 3 318.442 3.574 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)c([O-])c1C ZINC001177128256 1035349229 /nfs/dbraw/zinc/34/92/29/1035349229.db2.gz JNODJNARVRSTAU-UHFFFAOYSA-N -1 3 315.760 3.791 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(-c3ccccc3)co2)n1 ZINC000195099343 1035412318 /nfs/dbraw/zinc/41/23/18/1035412318.db2.gz COEIXNQSATVOCI-NSHDSACASA-N -1 3 313.382 3.999 20 0 DHADHM Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000773755183 1035435385 /nfs/dbraw/zinc/43/53/85/1035435385.db2.gz DOEXUBMXRHSCDC-UHFFFAOYSA-N -1 3 323.392 3.617 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccsc1C(F)F ZINC000904884750 1035463308 /nfs/dbraw/zinc/46/33/08/1035463308.db2.gz FKUNNTSICHCMCC-UHFFFAOYSA-N -1 3 324.255 3.836 20 0 DHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485129698 1035475925 /nfs/dbraw/zinc/47/59/25/1035475925.db2.gz APWKZQPOXVYUGR-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)C1CCC(C(F)(F)F)CC1 ZINC001179833991 1035509350 /nfs/dbraw/zinc/50/93/50/1035509350.db2.gz YMGPKYPZVUSWKN-UHFFFAOYSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)ccc1N ZINC000070439071 1035619228 /nfs/dbraw/zinc/61/92/28/1035619228.db2.gz RQSXVUVGBRLREE-UHFFFAOYSA-N -1 3 304.415 3.501 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000195722146 1035643912 /nfs/dbraw/zinc/64/39/12/1035643912.db2.gz WAXLQBHXNKQLQY-CYBMUJFWSA-N -1 3 323.396 3.561 20 0 DHADHM CC(C)c1csc(C(=O)[N-]c2nsc3ncccc23)n1 ZINC001193500791 1035650917 /nfs/dbraw/zinc/65/09/17/1035650917.db2.gz IEPSQABRSMPRGP-UHFFFAOYSA-N -1 3 304.400 3.524 20 0 DHADHM O=S(=O)(CC1CCC1)[N-]c1cc(C2CCCCC2)ccc1O ZINC001193523614 1035662612 /nfs/dbraw/zinc/66/26/12/1035662612.db2.gz JQMQNMZLCZOHQM-UHFFFAOYSA-N -1 3 323.458 3.982 20 0 DHADHM O=S(=O)([N-]CC[C@H]1CC=CCC1)c1cc(F)ccc1Cl ZINC001193596093 1035672709 /nfs/dbraw/zinc/67/27/09/1035672709.db2.gz PKBAPMFEUMRIHN-NSHDSACASA-N -1 3 317.813 3.504 20 0 DHADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758113 1035729905 /nfs/dbraw/zinc/72/99/05/1035729905.db2.gz MARZGYZUFNDRRL-ZJUUUORDSA-N -1 3 303.324 3.966 20 0 DHADHM Cc1ccc([C@H](C)NC(=O)c2ccc([O-])cc2C(F)(F)F)nc1 ZINC001193757937 1035729962 /nfs/dbraw/zinc/72/99/62/1035729962.db2.gz HZKHZWOFPNFEOC-JTQLQIEISA-N -1 3 324.302 3.605 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CCn1ccc2ccccc21 ZINC001180666950 1035743031 /nfs/dbraw/zinc/74/30/31/1035743031.db2.gz WKERAYAQOYUUFA-UHFFFAOYSA-N -1 3 322.364 3.578 20 0 DHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ncc(Cl)n1C ZINC000773884113 1035771790 /nfs/dbraw/zinc/77/17/90/1035771790.db2.gz OAGYLKUODIHXQH-SSDOTTSWSA-N -1 3 309.778 3.534 20 0 DHADHM COc1cc(F)c(C(=O)Nc2cc([O-])cc(Cl)c2)cc1F ZINC001193975907 1035784184 /nfs/dbraw/zinc/78/41/84/1035784184.db2.gz ZHEWSFGFKHDZMM-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM CC(=O)c1cccc(NC(=O)Oc2ccc(Cl)cc2)c1[O-] ZINC001194061225 1035819332 /nfs/dbraw/zinc/81/93/32/1035819332.db2.gz IJWMLXMIBRISTD-UHFFFAOYSA-N -1 3 305.717 3.859 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1 ZINC000539845102 1035903281 /nfs/dbraw/zinc/90/32/81/1035903281.db2.gz UGBAWFWNCZCOQW-KRWDZBQOSA-N -1 3 309.409 3.584 20 0 DHADHM CCc1cccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1[O-] ZINC000539865839 1035917036 /nfs/dbraw/zinc/91/70/36/1035917036.db2.gz HKBGLMBVMIOBOS-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001181472376 1035920449 /nfs/dbraw/zinc/92/04/49/1035920449.db2.gz WJZYXEKMNVJGLC-UHFFFAOYSA-N -1 3 315.344 3.750 20 0 DHADHM O=C(Nc1cc2ccccc2s1)c1cnc(C(F)(F)F)[n-]1 ZINC001194770921 1036032260 /nfs/dbraw/zinc/03/22/60/1036032260.db2.gz UDSFNUUDXLYTFB-UHFFFAOYSA-N -1 3 311.288 3.896 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)c1C ZINC001194835856 1036051143 /nfs/dbraw/zinc/05/11/43/1036051143.db2.gz PSBOARQYXSXIMR-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CCC[C@H]1C1CCCCC1 ZINC001195135449 1036147509 /nfs/dbraw/zinc/14/75/09/1036147509.db2.gz WWDSNZCGCMTVCH-ZDUSSCGKSA-N -1 3 308.809 3.626 20 0 DHADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000774092764 1036161428 /nfs/dbraw/zinc/16/14/28/1036161428.db2.gz PQYFNAOIKKCURU-ZDUSSCGKSA-N -1 3 317.410 3.581 20 0 DHADHM O=C([N-]c1ncc(C2CCCCC2)s1)c1nnc(C2CC2)o1 ZINC000907303303 1036188994 /nfs/dbraw/zinc/18/89/94/1036188994.db2.gz JXHIKRPTXBECNM-UHFFFAOYSA-N -1 3 318.402 3.704 20 0 DHADHM Cc1ccc(NC(=S)NCc2ccccc2)c(Cl)c1[O-] ZINC001195631077 1036293479 /nfs/dbraw/zinc/29/34/79/1036293479.db2.gz GWIZQCOFKPUHMZ-UHFFFAOYSA-N -1 3 306.818 3.841 20 0 DHADHM FC(F)(F)[C@H]([N-]c1ncc2sccc2n1)c1ccccn1 ZINC001168479018 1036299078 /nfs/dbraw/zinc/29/90/78/1036299078.db2.gz UDXHMISDJJNOBO-LLVKDONJSA-N -1 3 310.304 3.802 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cccc(OC(F)F)c2)n1 ZINC000761863429 1036370531 /nfs/dbraw/zinc/37/05/31/1036370531.db2.gz APPYPLGRCRWBDG-UHFFFAOYSA-N -1 3 312.341 3.525 20 0 DHADHM CC(C)(CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)CC(F)(F)F ZINC000908334553 1036385296 /nfs/dbraw/zinc/38/52/96/1036385296.db2.gz AZAAJJYRFPTFAM-UHFFFAOYSA-N -1 3 315.295 3.576 20 0 DHADHM [O-]c1cc(NC(=S)NCc2cccc(Cl)c2)ccc1F ZINC001195979694 1036397116 /nfs/dbraw/zinc/39/71/16/1036397116.db2.gz LYNCVRHSJBEAKW-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1nc(C(C)(C)C)no1 ZINC000914891492 1036441972 /nfs/dbraw/zinc/44/19/72/1036441972.db2.gz QQPNWNWWKZYFFC-QMMMGPOBSA-N -1 3 319.386 3.828 20 0 DHADHM [O-]c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1Cl ZINC000668718377 1036484075 /nfs/dbraw/zinc/48/40/75/1036484075.db2.gz PTXHZPQRUXKWRP-OAHLLOKOSA-N -1 3 303.789 3.699 20 0 DHADHM [O-]c1cccc(Cl)c1NC(=S)NCc1ccc(F)cc1 ZINC001196490127 1036557590 /nfs/dbraw/zinc/55/75/90/1036557590.db2.gz URZSPSQEOJSZHD-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(C)c(F)c1 ZINC001168487996 1036635338 /nfs/dbraw/zinc/63/53/38/1036635338.db2.gz QZEJAPQPZBBWDD-SWLSCSKDSA-N -1 3 303.381 3.740 20 0 DHADHM Cc1cccc(Cl)c1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001183719053 1036659042 /nfs/dbraw/zinc/65/90/42/1036659042.db2.gz WNWBVUZJTGJSNK-UHFFFAOYSA-N -1 3 318.764 3.665 20 0 DHADHM CC(F)(F)CCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001122893609 1036721588 /nfs/dbraw/zinc/72/15/88/1036721588.db2.gz ZTFTZGDMJIQVNS-UHFFFAOYSA-N -1 3 304.243 3.703 20 0 DHADHM [O-]c1cnc(NC(=S)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001197308326 1036735044 /nfs/dbraw/zinc/73/50/44/1036735044.db2.gz IYSUBIHINYOXEV-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM C[C@@H](C(=O)Nc1ccc2[nH][n-]c(=O)c2c1)c1ccccc1Cl ZINC001184475560 1036856574 /nfs/dbraw/zinc/85/65/74/1036856574.db2.gz DBXBDIFHCBDJFW-SECBINFHSA-N -1 3 315.760 3.664 20 0 DHADHM C[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001184510844 1036877539 /nfs/dbraw/zinc/87/75/39/1036877539.db2.gz NPXZZZZWTAFSBH-VHSXEESVSA-N -1 3 312.207 3.920 20 0 DHADHM O=c1nc(Cl)cc(Sc2ccc(Br)cc2)[n-]1 ZINC001184598511 1036902772 /nfs/dbraw/zinc/90/27/72/1036902772.db2.gz IGYCOYBBWJVVAQ-UHFFFAOYSA-N -1 3 317.595 3.749 20 0 DHADHM CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([O-])cc2OC)cc1 ZINC000011288438 1036926268 /nfs/dbraw/zinc/92/62/68/1036926268.db2.gz YXRLIPQWJDTKNP-XNTDXEJSSA-N -1 3 322.364 3.509 20 0 DHADHM COc1c(C)ccc(F)c1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001198261417 1036981168 /nfs/dbraw/zinc/98/11/68/1036981168.db2.gz IRDYKBMQQSETPF-UHFFFAOYSA-N -1 3 309.724 3.754 20 0 DHADHM [O-]c1cc(C(F)(F)F)ccc1NC(=S)NC1CCCC1 ZINC001198552716 1037067632 /nfs/dbraw/zinc/06/76/32/1037067632.db2.gz UUKWRJKDJJGKGO-UHFFFAOYSA-N -1 3 304.337 3.640 20 0 DHADHM Cc1cccc(NC(=S)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001198658666 1037097995 /nfs/dbraw/zinc/09/79/95/1037097995.db2.gz SKJISSOUPTWQJQ-UHFFFAOYSA-N -1 3 324.409 3.695 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cccc(C)c1 ZINC001198690027 1037101280 /nfs/dbraw/zinc/10/12/80/1037101280.db2.gz LFQGOJUSOZTXLK-UHFFFAOYSA-N -1 3 300.383 3.712 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc2occc2c1 ZINC001198816686 1037137818 /nfs/dbraw/zinc/13/78/18/1037137818.db2.gz MDTNWNAABFXLLA-UHFFFAOYSA-N -1 3 309.293 3.512 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1cnoc1C(F)(F)F ZINC001199046783 1037186848 /nfs/dbraw/zinc/18/68/48/1037186848.db2.gz QBZPMEUXONLMSS-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM CC(C)COc1cnccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199106909 1037193837 /nfs/dbraw/zinc/19/38/37/1037193837.db2.gz WUHNSEYLXYKEAS-UHFFFAOYSA-N -1 3 320.776 3.728 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc2c(c1)CCC2 ZINC001185766675 1037231886 /nfs/dbraw/zinc/23/18/86/1037231886.db2.gz XYHNUOGVRPSARX-UHFFFAOYSA-N -1 3 310.353 3.728 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c([O-])c1 ZINC000912043811 1037282752 /nfs/dbraw/zinc/28/27/52/1037282752.db2.gz YPGXRDQVJZCLAX-SFHVURJKSA-N -1 3 322.408 3.717 20 0 DHADHM [O-]c1cc(C(F)(F)F)ccc1NC(=S)Nc1cccnc1 ZINC001199901688 1037356364 /nfs/dbraw/zinc/35/63/64/1037356364.db2.gz WIWINOQUHBCWQV-UHFFFAOYSA-N -1 3 313.304 3.615 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1C1CCC1 ZINC000646798083 1037374881 /nfs/dbraw/zinc/37/48/81/1037374881.db2.gz BIVSTMJJUIIFEA-CQSZACIVSA-N -1 3 313.319 3.816 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@@H](C)C1CCCCC1 ZINC001186394514 1037383022 /nfs/dbraw/zinc/38/30/22/1037383022.db2.gz HNADLLODMHTGCT-NSHDSACASA-N -1 3 304.390 3.685 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C(=O)[O-])C1 ZINC000570456591 1037417444 /nfs/dbraw/zinc/41/74/44/1037417444.db2.gz GCAZSAYTGNOOGE-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])c1cc(CCN2CCCCC2)c(Cl)cc1Cl ZINC001250242645 1037425102 /nfs/dbraw/zinc/42/51/02/1037425102.db2.gz YGYNMKRIEJGTCG-UHFFFAOYSA-N -1 3 302.201 3.720 20 0 DHADHM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000152629074 1037468525 /nfs/dbraw/zinc/46/85/25/1037468525.db2.gz ZPGJXBKAXLXULW-HNNXBMFYSA-N -1 3 312.413 3.947 20 0 DHADHM O=S(=O)([N-][C@@H](CC1CCC1)c1ccccc1F)c1ccco1 ZINC001186883767 1037516014 /nfs/dbraw/zinc/51/60/14/1037516014.db2.gz HOKREJDHFVPZLJ-HNNXBMFYSA-N -1 3 323.389 3.629 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1cc(F)cc(F)c1 ZINC001187544152 1037652685 /nfs/dbraw/zinc/65/26/85/1037652685.db2.gz NDAAEVJZTOOOAA-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000913297995 1037790422 /nfs/dbraw/zinc/79/04/22/1037790422.db2.gz DDOFCRGJLKTFDV-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000913297995 1037790435 /nfs/dbraw/zinc/79/04/35/1037790435.db2.gz DDOFCRGJLKTFDV-UHFFFAOYSA-N -1 3 302.717 3.680 20 0 DHADHM O=C(OCCCOc1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000913286925 1037794868 /nfs/dbraw/zinc/79/48/68/1037794868.db2.gz NPMMZLHUMXXYHF-UHFFFAOYSA-N -1 3 314.168 3.947 20 0 DHADHM O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000913299850 1037795149 /nfs/dbraw/zinc/79/51/49/1037795149.db2.gz RVYJMVAIAUJACA-UHFFFAOYSA-N -1 3 320.707 3.819 20 0 DHADHM O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000913299850 1037795162 /nfs/dbraw/zinc/79/51/62/1037795162.db2.gz RVYJMVAIAUJACA-UHFFFAOYSA-N -1 3 320.707 3.819 20 0 DHADHM Cc1c(NCc2cc([O-])cc(F)c2)cnn1-c1ccccc1F ZINC000185616039 1037822217 /nfs/dbraw/zinc/82/22/17/1037822217.db2.gz CAXNQSOPIVMCFC-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000124087846 1037882160 /nfs/dbraw/zinc/88/21/60/1037882160.db2.gz JARRQUMHGQGCFH-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM CCc1ccc(CC)c(C(=O)COC(=O)c2ccc([O-])cc2)c1 ZINC000005693750 1037889274 /nfs/dbraw/zinc/88/92/74/1037889274.db2.gz UGQPGHFAGUREBD-UHFFFAOYSA-N -1 3 312.365 3.557 20 0 DHADHM COc1ccc(NC(=O)Nc2ccc([O-])c(F)c2)cc1Cl ZINC001188472355 1037907078 /nfs/dbraw/zinc/90/70/78/1037907078.db2.gz GTMVGBPAKLRPGY-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM COc1ccsc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125266749 1037930596 /nfs/dbraw/zinc/93/05/96/1037930596.db2.gz APRMCXKSBOYWIU-UHFFFAOYSA-N -1 3 317.288 3.733 20 0 DHADHM O=C(Nc1ccc2ccccc2c1)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001188581661 1037938071 /nfs/dbraw/zinc/93/80/71/1037938071.db2.gz HZGLMPXFNMRCKL-UHFFFAOYSA-N -1 3 320.352 3.857 20 0 DHADHM Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001188654435 1037944128 /nfs/dbraw/zinc/94/41/28/1037944128.db2.gz ATBFENCDNPHTHL-OAHLLOKOSA-N -1 3 313.397 3.515 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001188660250 1037947516 /nfs/dbraw/zinc/94/75/16/1037947516.db2.gz XHCQJEMMOPXOFG-UHFFFAOYSA-N -1 3 315.800 3.816 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000187164191 1037951222 /nfs/dbraw/zinc/95/12/22/1037951222.db2.gz AAXHUVMEKXHRLR-UHFFFAOYSA-N -1 3 303.427 3.975 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000126259687 1038052376 /nfs/dbraw/zinc/05/23/76/1038052376.db2.gz IBMYQXPNCCDXPO-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000044603541 1038060316 /nfs/dbraw/zinc/06/03/16/1038060316.db2.gz JIALWWAYGCXIGT-UHFFFAOYSA-N -1 3 314.341 3.521 20 0 DHADHM COc1cc(CNC(=O)Nc2ccccc2C)cc(Cl)c1[O-] ZINC001202193303 1038095347 /nfs/dbraw/zinc/09/53/47/1038095347.db2.gz CKUNSQCDVNHLLF-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM Cc1nc(NC(=O)Nc2ccccc2-c2ccccc2)cc(=O)[n-]1 ZINC001189695902 1038194943 /nfs/dbraw/zinc/19/49/43/1038194943.db2.gz AGJPJYAZXJCDFV-UHFFFAOYSA-N -1 3 320.352 3.802 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000572296341 1038355313 /nfs/dbraw/zinc/35/53/13/1038355313.db2.gz YXISOKXEUUVMJB-QGZVFWFLSA-N -1 3 322.474 3.733 20 0 DHADHM CN(C(=O)c1ccc(=O)[n-]c1Cl)C(C)(C)Cc1ccccc1 ZINC001190911006 1038406402 /nfs/dbraw/zinc/40/64/02/1038406402.db2.gz ZSPREPWKPBLUKE-UHFFFAOYSA-N -1 3 318.804 3.534 20 0 DHADHM O=C(NCCCc1ccccc1)Nc1cc([O-])cc(Cl)c1 ZINC001191208767 1038463001 /nfs/dbraw/zinc/46/30/01/1038463001.db2.gz QZKWETLCNUGGBT-UHFFFAOYSA-N -1 3 304.777 3.800 20 0 DHADHM CC(C)Oc1cccc(F)c1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535846 1038515949 /nfs/dbraw/zinc/51/59/49/1038515949.db2.gz PQSRNYWDFYQLMA-UHFFFAOYSA-N -1 3 315.410 3.545 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1F ZINC000061142232 1039046257 /nfs/dbraw/zinc/04/62/57/1039046257.db2.gz ZKZFXDCJSJDTJX-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1F ZINC000061142232 1039046273 /nfs/dbraw/zinc/04/62/73/1039046273.db2.gz ZKZFXDCJSJDTJX-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(F)c1 ZINC000061142321 1039046640 /nfs/dbraw/zinc/04/66/40/1039046640.db2.gz QGWHKEDNHVATPW-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(F)c1 ZINC000061142321 1039046653 /nfs/dbraw/zinc/04/66/53/1039046653.db2.gz QGWHKEDNHVATPW-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM O=C(OCc1csc(C2CCCC2)n1)c1ccc([O-])cc1 ZINC000058302798 1039083815 /nfs/dbraw/zinc/08/38/15/1039083815.db2.gz TWFWQQSNCGQNBJ-UHFFFAOYSA-N -1 3 303.383 3.863 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2ccccc2o1)c1cccs1 ZINC000037087772 1039127886 /nfs/dbraw/zinc/12/78/86/1039127886.db2.gz IYAXICNLPRSJIZ-ZDUSSCGKSA-N -1 3 301.367 3.800 20 0 DHADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)c1cccc2ccccc21 ZINC000669696735 1039140497 /nfs/dbraw/zinc/14/04/97/1039140497.db2.gz ZQDHGQIMKNIYEX-UHFFFAOYSA-N -1 3 320.327 3.527 20 0 DHADHM O=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc([O-])cc1 ZINC000058626381 1039334191 /nfs/dbraw/zinc/33/41/91/1039334191.db2.gz YSUJUUBAOGRGHX-UHFFFAOYSA-N -1 3 312.243 3.648 20 0 DHADHM CS[C@H]1CCCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000593744788 1039608690 /nfs/dbraw/zinc/60/86/90/1039608690.db2.gz XCIYUENUPKQHPH-LBPRGKRZSA-N -1 3 313.850 3.756 20 0 DHADHM CCc1ccc([C@H](C)CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000606365109 1039846791 /nfs/dbraw/zinc/84/67/91/1039846791.db2.gz MWKLJILZUSQQOB-GFCCVEGCSA-N -1 3 324.384 3.759 20 0 DHADHM Cc1cc(NC2CC2)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066589 1039911315 /nfs/dbraw/zinc/91/13/15/1039911315.db2.gz SZEVCBAGLPUEDO-UHFFFAOYSA-N -1 3 309.291 3.751 20 0 DHADHM Cc1ccc(CCCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606537060 1039920508 /nfs/dbraw/zinc/92/05/08/1039920508.db2.gz CNZWTLXHGBKBHC-UHFFFAOYSA-N -1 3 315.388 3.869 20 0 DHADHM CC(C)Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606537367 1039922270 /nfs/dbraw/zinc/92/22/70/1039922270.db2.gz IHWBBRLKMDUQFN-UHFFFAOYSA-N -1 3 301.361 3.660 20 0 DHADHM C[C@H]1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C[C@H](C)C1 ZINC000606910196 1040030580 /nfs/dbraw/zinc/03/05/80/1040030580.db2.gz WMRGYCSQDVGLAE-NXEZZACHSA-N -1 3 319.829 3.582 20 0 DHADHM CCc1nnc([N-]C(=O)c2csc(C3CCCCC3)n2)s1 ZINC000574856835 1040061271 /nfs/dbraw/zinc/06/12/71/1040061271.db2.gz WPWLSCFMKVVZGX-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM CC[C@H](C)Oc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000601563469 1040689870 /nfs/dbraw/zinc/68/98/70/1040689870.db2.gz ITAJGUHZXIMUNM-NSHDSACASA-N -1 3 312.344 3.907 20 0 DHADHM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000456342249 1040782029 /nfs/dbraw/zinc/78/20/29/1040782029.db2.gz PCXRYHNFTCKANJ-DNVCBOLYSA-N -1 3 321.436 3.993 20 0 DHADHM CC(C)[C@H](CNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417538168 334960450 /nfs/dbraw/zinc/96/04/50/334960450.db2.gz TXZQXQSLUQYOGS-VIFPVBQESA-N -1 3 308.180 3.579 20 0 DHADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000134213968 334992833 /nfs/dbraw/zinc/99/28/33/334992833.db2.gz QJBUUMIAZYPHCY-MWLCHTKSSA-N -1 3 317.307 3.697 20 0 DHADHM O=C([O-])[C@H](CC1CC1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000417608091 335007254 /nfs/dbraw/zinc/00/72/54/335007254.db2.gz NXHHDWGTLVBHIT-LBPRGKRZSA-N -1 3 321.726 3.702 20 0 DHADHM CC(C)c1cnc(CN[C@@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000417616117 335009127 /nfs/dbraw/zinc/00/91/27/335009127.db2.gz ATWWFFOTCLDLJE-CHWSQXEVSA-N -1 3 310.463 3.780 20 0 DHADHM O=C([O-])CC[C@@H]1CCCC[C@H]1NCc1ccsc1Cl ZINC000417626113 335015680 /nfs/dbraw/zinc/01/56/80/335015680.db2.gz MSEJZQYCLMONEX-CMPLNLGQSA-N -1 3 301.839 3.915 20 0 DHADHM CCCc1csc(CN[C@H]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000417626096 335015746 /nfs/dbraw/zinc/01/57/46/335015746.db2.gz MQUGBXXVSFVSDE-OCCSQVGLSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@H](CC(C)(C)NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000417638029 335021970 /nfs/dbraw/zinc/02/19/70/335021970.db2.gz OJLYYCNYXXIFKI-SECBINFHSA-N -1 3 321.314 3.824 20 0 DHADHM C[C@H](CC(C)(C)NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417640634 335025807 /nfs/dbraw/zinc/02/58/07/335025807.db2.gz ZGVSNHPWPIQAPL-GFCCVEGCSA-N -1 3 318.442 3.789 20 0 DHADHM CC[C@H](CCNCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417651137 335027904 /nfs/dbraw/zinc/02/79/04/335027904.db2.gz OOBVDORBAOLKTO-SECBINFHSA-N -1 3 323.742 3.949 20 0 DHADHM CCc1cnc(CNCCC2(CC(=O)[O-])CCCCC2)s1 ZINC000417645627 335028704 /nfs/dbraw/zinc/02/87/04/335028704.db2.gz DRILKBNKFLKYGD-UHFFFAOYSA-N -1 3 310.463 3.610 20 0 DHADHM CCc1cccc(F)c1CNCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417660767 335032189 /nfs/dbraw/zinc/03/21/89/335032189.db2.gz QXZBHXLQHDYSMD-LLVKDONJSA-N -1 3 321.314 3.521 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000442927838 338439650 /nfs/dbraw/zinc/43/96/50/338439650.db2.gz UYDFPKXOFZIITN-NVXWUHKLSA-N -1 3 317.429 3.688 20 0 DHADHM COc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000135403187 335033633 /nfs/dbraw/zinc/03/36/33/335033633.db2.gz HSNXXXWDMLHMOY-UWVGGRQHSA-N -1 3 317.307 3.708 20 0 DHADHM COc1ccc2occ(C(=O)N3CCCc4cccc([O-])c43)c2c1 ZINC000442708632 335034613 /nfs/dbraw/zinc/03/46/13/335034613.db2.gz JYRYBZOQSHXTLM-UHFFFAOYSA-N -1 3 323.348 3.740 20 0 DHADHM CC[C@@H](CCNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000417667806 335035115 /nfs/dbraw/zinc/03/51/15/335035115.db2.gz JBYSEKVVVMRRJM-ZDUSSCGKSA-N -1 3 303.358 3.662 20 0 DHADHM CCCCN(C(=O)c1cccc2[n-]nnc21)[C@H](C)c1ccccc1 ZINC000525867005 335051182 /nfs/dbraw/zinc/05/11/82/335051182.db2.gz UORAXDXGRQZTLO-CQSZACIVSA-N -1 3 322.412 3.961 20 0 DHADHM CCCCN(C(=O)c1cccc2nn[n-]c21)[C@H](C)c1ccccc1 ZINC000525867005 335051184 /nfs/dbraw/zinc/05/11/84/335051184.db2.gz UORAXDXGRQZTLO-CQSZACIVSA-N -1 3 322.412 3.961 20 0 DHADHM CCCCN(C(=O)c1cccc2n[n-]nc21)[C@H](C)c1ccccc1 ZINC000525867005 335051185 /nfs/dbraw/zinc/05/11/85/335051185.db2.gz UORAXDXGRQZTLO-CQSZACIVSA-N -1 3 322.412 3.961 20 0 DHADHM Cc1nc(C2CC2)oc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000273923566 130186620 /nfs/dbraw/zinc/18/66/20/130186620.db2.gz VDATUJOXQOQBMF-UHFFFAOYSA-N -1 3 306.749 3.780 20 0 DHADHM CCSc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275289465 130302090 /nfs/dbraw/zinc/30/20/90/130302090.db2.gz XTADFAQKJCISRH-UHFFFAOYSA-N -1 3 308.325 3.804 20 0 DHADHM CCSc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275289465 130302093 /nfs/dbraw/zinc/30/20/93/130302093.db2.gz XTADFAQKJCISRH-UHFFFAOYSA-N -1 3 308.325 3.804 20 0 DHADHM CCc1nc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cs1 ZINC000277308453 130600488 /nfs/dbraw/zinc/60/04/88/130600488.db2.gz BITOHJCBQIUPAH-MRVPVSSYSA-N -1 3 310.806 3.556 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1sccc1Cl ZINC000285925240 131210404 /nfs/dbraw/zinc/21/04/04/131210404.db2.gz AOONHAJURMFNHJ-UHFFFAOYSA-N -1 3 310.810 3.751 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)NC3(C)CCCCC3)c[n-]c12 ZINC000285996679 131214622 /nfs/dbraw/zinc/21/46/22/131214622.db2.gz MEMRIWKKMVWYCN-UHFFFAOYSA-N -1 3 316.376 3.841 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3[C@H](C)CCC[C@@H]3C)c[n-]c12 ZINC000286080444 131219047 /nfs/dbraw/zinc/21/90/47/131219047.db2.gz JSGJJFLYLIJKRJ-TXEJJXNPSA-N -1 3 316.376 3.791 20 0 DHADHM Cc1ccc(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000340311496 131379119 /nfs/dbraw/zinc/37/91/19/131379119.db2.gz DAHQOAHRPUUHIN-UHFFFAOYSA-N -1 3 323.270 3.541 20 0 DHADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c(C)n1C ZINC000340314584 131381573 /nfs/dbraw/zinc/38/15/73/131381573.db2.gz IDIMZQRMJRURJD-UHFFFAOYSA-N -1 3 312.291 3.619 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1ocnc1C1CC1 ZINC000289446929 131387414 /nfs/dbraw/zinc/38/74/14/131387414.db2.gz STGFFFDJUDFALF-UHFFFAOYSA-N -1 3 314.238 3.962 20 0 DHADHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000297104237 132000196 /nfs/dbraw/zinc/00/01/96/132000196.db2.gz GBZHUJYNIMEPRB-RDJZCZTQSA-N -1 3 311.381 3.506 20 0 DHADHM CC[C@H](C)CON=C([O-])Nc1cn(C)nc1C1CCCCC1 ZINC000297311265 132009680 /nfs/dbraw/zinc/00/96/80/132009680.db2.gz HEPLEMOPQOFCDK-LBPRGKRZSA-N -1 3 308.426 3.567 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000297311265 132009683 /nfs/dbraw/zinc/00/96/83/132009683.db2.gz HEPLEMOPQOFCDK-LBPRGKRZSA-N -1 3 308.426 3.567 20 0 DHADHM CCOc1cc(CNc2cn(C)nc2C2CC2)cc(Cl)c1[O-] ZINC000297521769 132020120 /nfs/dbraw/zinc/02/01/20/132020120.db2.gz WWPXGKBBMVIVJA-UHFFFAOYSA-N -1 3 321.808 3.667 20 0 DHADHM CCOc1cc(CN(C)Cc2cscn2)cc(Cl)c1[O-] ZINC000297587247 132023945 /nfs/dbraw/zinc/02/39/45/132023945.db2.gz DXGUUUGDMVZUGT-UHFFFAOYSA-N -1 3 312.822 3.533 20 0 DHADHM [O-]C(=NOCc1ccccc1)Nc1cccc(N2CCCC2)c1 ZINC000299558514 132111432 /nfs/dbraw/zinc/11/14/32/132111432.db2.gz CUDXHTUCMWMNFN-UHFFFAOYSA-N -1 3 311.385 3.540 20 0 DHADHM O=C([N-]OCc1ccccc1)Nc1cccc(N2CCCC2)c1 ZINC000299558514 132111434 /nfs/dbraw/zinc/11/14/34/132111434.db2.gz CUDXHTUCMWMNFN-UHFFFAOYSA-N -1 3 311.385 3.540 20 0 DHADHM Fc1cc2c(c(F)c1F)[C@@H]([N-]c1nnc(C(F)F)o1)CC2 ZINC000514711272 429367460 /nfs/dbraw/zinc/36/74/60/429367460.db2.gz LQIWDKQVWFMBLK-LURJTMIESA-N -1 3 305.206 3.524 20 0 DHADHM Cc1ccc2[nH]c(C(=O)NCc3ccc([O-])c(F)c3)cc2c1C ZINC000174208926 332847339 /nfs/dbraw/zinc/84/73/39/332847339.db2.gz ZTTKSYUFSGCKGP-UHFFFAOYSA-N -1 3 312.344 3.559 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1[O-] ZINC000318452104 332869086 /nfs/dbraw/zinc/86/90/86/332869086.db2.gz VANDKESAKYYXAP-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1ccccc1SCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000583969841 331499464 /nfs/dbraw/zinc/49/94/64/331499464.db2.gz DGWZDVARMCPCSY-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Cc1ccc(C)c(CSCC(=O)Nc2ccccc2[O-])c1 ZINC000180705611 331576476 /nfs/dbraw/zinc/57/64/76/331576476.db2.gz KCHDEGHPZJOUPJ-UHFFFAOYSA-N -1 3 301.411 3.881 20 0 DHADHM CC(C)CCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000530876291 331632020 /nfs/dbraw/zinc/63/20/20/331632020.db2.gz NINFIRVOFRNNIL-SNVBAGLBSA-N -1 3 319.323 3.801 20 0 DHADHM CC1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000407998883 331668575 /nfs/dbraw/zinc/66/85/75/331668575.db2.gz TXONECZWEZILHP-UHFFFAOYSA-N -1 3 311.385 3.704 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000115150358 331689482 /nfs/dbraw/zinc/68/94/82/331689482.db2.gz GSMYIBAROKZEPE-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM CC(=Cc1ccc([O-])c(F)c1)c1nc(=O)c2ccsc2[nH]1 ZINC000255328800 331731656 /nfs/dbraw/zinc/73/16/56/331731656.db2.gz MAXQHJLLZREQTH-SOFGYWHQSA-N -1 3 302.330 3.802 20 0 DHADHM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000426765654 331760319 /nfs/dbraw/zinc/76/03/19/331760319.db2.gz QXVCRFFWVYSWHV-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM Cc1ccc(OCC(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000557182477 331774727 /nfs/dbraw/zinc/77/47/27/331774727.db2.gz ULUDMPSVWQCNOH-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(C)=O)c2)c1 ZINC000557459820 331791750 /nfs/dbraw/zinc/79/17/50/331791750.db2.gz MUBQAWSGFLIMGM-UHFFFAOYSA-N -1 3 301.317 3.549 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccc(Cl)cc1 ZINC000557500383 331795073 /nfs/dbraw/zinc/79/50/73/331795073.db2.gz SCAJFLOKAWZSPJ-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM CCc1nc2cc(NC(=O)c3ccc([O-])c(CC)c3)ccc2o1 ZINC000557551024 331799293 /nfs/dbraw/zinc/79/92/93/331799293.db2.gz WJPJLSCRAJGKAZ-UHFFFAOYSA-N -1 3 310.353 3.911 20 0 DHADHM [O-]c1ccc(Br)c(CN[C@@H](C2CC2)C(F)(F)F)c1 ZINC000558117977 331877742 /nfs/dbraw/zinc/87/77/42/331877742.db2.gz IDTQYEPYNRBOOC-NSHDSACASA-N -1 3 324.140 3.585 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3cccs3)n2)n1 ZINC000559189003 331986920 /nfs/dbraw/zinc/98/69/20/331986920.db2.gz JHZVQQFVFXWXKU-SNAWJCMRSA-N -1 3 301.396 3.846 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCCCOc1ccccc1C ZINC000520014375 332007027 /nfs/dbraw/zinc/00/70/27/332007027.db2.gz LLTKHDQKVHOTJY-UHFFFAOYSA-N -1 3 321.446 3.653 20 0 DHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000092229112 332122272 /nfs/dbraw/zinc/12/22/72/332122272.db2.gz CBDUQSVIABLQLP-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM Cc1noc([N-]C(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C ZINC000410525803 332149021 /nfs/dbraw/zinc/14/90/21/332149021.db2.gz MYWANQUGWZXOKV-NILFDRSVSA-N -1 3 308.422 3.707 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000426782168 332152786 /nfs/dbraw/zinc/15/27/86/332152786.db2.gz FZFZYYHKFAQENX-SFHVURJKSA-N -1 3 309.340 3.894 20 0 DHADHM CC(C)(C)C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426800373 332155070 /nfs/dbraw/zinc/15/50/70/332155070.db2.gz OHTORJXJMRVFSJ-LLVKDONJSA-N -1 3 304.217 3.972 20 0 DHADHM O=C([O-])C[C@@H](NCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000426801725 332155096 /nfs/dbraw/zinc/15/50/96/332155096.db2.gz SIORLQXNCMGRGT-OAHLLOKOSA-N -1 3 307.752 3.785 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426801839 332155179 /nfs/dbraw/zinc/15/51/79/332155179.db2.gz WDUMXWNBAQQBCF-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1cc(F)ccc1F ZINC000426822738 332157950 /nfs/dbraw/zinc/15/79/50/332157950.db2.gz FJSXWPJKOFAJKC-QGZVFWFLSA-N -1 3 319.351 3.531 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)cs1 ZINC000128600705 332223119 /nfs/dbraw/zinc/22/31/19/332223119.db2.gz PNTRWSPXNCBIDU-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000560250139 332323262 /nfs/dbraw/zinc/32/32/62/332323262.db2.gz YRBHENMLSYXHFB-YWVKMMECSA-N -1 3 315.291 3.666 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000560371247 332335389 /nfs/dbraw/zinc/33/53/89/332335389.db2.gz ZYURRAIJBUDNHP-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000560610951 332369485 /nfs/dbraw/zinc/36/94/85/332369485.db2.gz UXKCMQWVJRKMPS-SOUVJXGZSA-N -1 3 305.393 3.754 20 0 DHADHM Cc1cc(-c2noc(-c3ccccc3[O-])n2)nc2ccccc12 ZINC000323173485 332380667 /nfs/dbraw/zinc/38/06/67/332380667.db2.gz NJSUFMWQYGTINT-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1cccnc1CN1CCC(c2ccnc3ccccc32)CC1 ZINC000583389082 332381921 /nfs/dbraw/zinc/38/19/21/332381921.db2.gz ACCJTDAHGPSZCV-UHFFFAOYSA-N -1 3 319.408 3.715 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(C(F)(F)F)cn1 ZINC000560820624 332388611 /nfs/dbraw/zinc/38/86/11/332388611.db2.gz HIUBNNYYHSXLAE-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]2CCC[C@H]21 ZINC000566580514 332487070 /nfs/dbraw/zinc/48/70/70/332487070.db2.gz AEDBSTKETDFPCC-ZBFHGGJFSA-N -1 3 319.420 3.891 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(F)c1 ZINC000404943072 332630681 /nfs/dbraw/zinc/63/06/81/332630681.db2.gz SZMHPDQISUHDQC-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000572733787 332678562 /nfs/dbraw/zinc/67/85/62/332678562.db2.gz MJJZORYLDDDFRY-JGVFFNPUSA-N -1 3 307.699 3.963 20 0 DHADHM CC(C)CC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000569863633 332686436 /nfs/dbraw/zinc/68/64/36/332686436.db2.gz GRJWANDIPWGTTH-CQSZACIVSA-N -1 3 319.449 3.640 20 0 DHADHM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000387715773 333163971 /nfs/dbraw/zinc/16/39/71/333163971.db2.gz RZLOKHFYWVXOQI-UHFFFAOYSA-N -1 3 321.417 3.515 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(Cl)c1F ZINC000228246950 333168317 /nfs/dbraw/zinc/16/83/17/333168317.db2.gz QEDNRVJVCJYWDL-QWRGUYRKSA-N -1 3 301.789 3.848 20 0 DHADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1C[C@H]1c1ccccc1 ZINC000460870417 333179731 /nfs/dbraw/zinc/17/97/31/333179731.db2.gz JNOXUCLHYLVWSN-KBPBESRZSA-N -1 3 303.431 3.680 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000525767694 333249518 /nfs/dbraw/zinc/24/95/18/333249518.db2.gz OFEXHBMYXSMVCZ-KRWDZBQOSA-N -1 3 309.409 3.659 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c([O-])c1 ZINC000123925246 333337494 /nfs/dbraw/zinc/33/74/94/333337494.db2.gz DWRLLHNKRCFZRL-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000184136699 333342334 /nfs/dbraw/zinc/34/23/34/333342334.db2.gz RIPMPFXYFYQWOI-OAHLLOKOSA-N -1 3 307.365 3.997 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@]12CCCc1ccccc12 ZINC000531373984 333346896 /nfs/dbraw/zinc/34/68/96/333346896.db2.gz RVYGQZVFZBQLDA-DNVCBOLYSA-N -1 3 311.356 3.764 20 0 DHADHM Cc1cccc([C@@H](NC(=O)Cc2cncc([O-])c2)C(C)(C)C)c1 ZINC000518794401 333361302 /nfs/dbraw/zinc/36/13/02/333361302.db2.gz CPIYVDLVJOFIAO-GOSISDBHSA-N -1 3 312.413 3.542 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(C)c1 ZINC000320215226 333454300 /nfs/dbraw/zinc/45/43/00/333454300.db2.gz QMEQAKIVIIRHAE-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM C[C@@H]1CC[C@@](CNCc2csc(C(C)(C)C)n2)(CC(=O)[O-])C1 ZINC000426642110 333511080 /nfs/dbraw/zinc/51/10/80/333511080.db2.gz FLQXKTHXSXQGET-PXAZEXFGSA-N -1 3 324.490 3.811 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CNCCC[C@@H](C)C(=O)[O-])o1 ZINC000426638003 333512001 /nfs/dbraw/zinc/51/20/01/333512001.db2.gz OHILNXJBMXNTGT-GFCCVEGCSA-N -1 3 319.376 3.985 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000426716314 333527588 /nfs/dbraw/zinc/52/75/88/333527588.db2.gz VFNUIUDVNVDUFQ-OAHLLOKOSA-N -1 3 323.314 3.929 20 0 DHADHM CCOCCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000533986012 333555360 /nfs/dbraw/zinc/55/53/60/333555360.db2.gz JKNUOBVTENZNTP-UHFFFAOYSA-N -1 3 311.809 3.971 20 0 DHADHM CCCC[C@H](C)N(CCCC)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563399754 333601032 /nfs/dbraw/zinc/60/10/32/333601032.db2.gz ZNGCHUOVTAWDCI-ZDUSSCGKSA-N -1 3 319.449 3.881 20 0 DHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412217526 333739648 /nfs/dbraw/zinc/73/96/48/333739648.db2.gz XXWMDBLCJCGOOP-BLLLJJGKSA-N -1 3 303.402 3.636 20 0 DHADHM CC1(C)CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186600076 335159007 /nfs/dbraw/zinc/15/90/07/335159007.db2.gz LARFUQMQLNCYNU-UHFFFAOYSA-N -1 3 323.392 3.638 20 0 DHADHM Cc1ccc2oc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2c1 ZINC000571470710 333792551 /nfs/dbraw/zinc/79/25/51/333792551.db2.gz BODLBFCNBIRHDN-UHFFFAOYSA-N -1 3 317.308 3.730 20 0 DHADHM CC(C)(C)C(=O)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000413000490 333824644 /nfs/dbraw/zinc/82/46/44/333824644.db2.gz PDYKXYYENSNPMC-UHFFFAOYSA-N -1 3 316.426 3.698 20 0 DHADHM O=C(NCC1(c2c(F)cccc2F)CCC1)c1cccc([O-])c1 ZINC000413944665 333883182 /nfs/dbraw/zinc/88/31/82/333883182.db2.gz KUUVWQQDDAMVKA-UHFFFAOYSA-N -1 3 317.335 3.522 20 0 DHADHM CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000366827911 335163789 /nfs/dbraw/zinc/16/37/89/335163789.db2.gz OFWLCCJWKNERAC-DZGCQCFKSA-N -1 3 316.426 3.565 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 ZINC000436565298 333974851 /nfs/dbraw/zinc/97/48/51/333974851.db2.gz VBXJEUJZRUPFCU-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436687088 333988122 /nfs/dbraw/zinc/98/81/22/333988122.db2.gz JNJFBICVVWFCLW-UHFFFAOYSA-N -1 3 303.333 3.799 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000436833747 334004301 /nfs/dbraw/zinc/00/43/01/334004301.db2.gz MLNWXMYKLLZOOS-QGZVFWFLSA-N -1 3 309.409 3.584 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn(CCC(C)C)c2C)c([O-])c1 ZINC000436833750 334004398 /nfs/dbraw/zinc/00/43/98/334004398.db2.gz MMEJFLDMYHQJEL-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM CCc1ccc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)c([O-])c1 ZINC000436879039 334014214 /nfs/dbraw/zinc/01/42/14/334014214.db2.gz HQFCHQAGCHYKJK-UHFFFAOYSA-N -1 3 312.373 3.623 20 0 DHADHM Cc1ccc(C(F)(F)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436983198 334023670 /nfs/dbraw/zinc/02/36/70/334023670.db2.gz VZTMGUONNWLUJN-UHFFFAOYSA-N -1 3 302.280 3.891 20 0 DHADHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccccc2)cc1F ZINC000414643750 334052700 /nfs/dbraw/zinc/05/27/00/334052700.db2.gz YAUKVOPDTRAQJR-UHFFFAOYSA-N -1 3 301.361 3.789 20 0 DHADHM CCc1ccc(-c2ccc(CN3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000414673308 334065707 /nfs/dbraw/zinc/06/57/07/334065707.db2.gz DBQNDXXFMOFBMZ-MRXNPFEDSA-N -1 3 313.397 3.806 20 0 DHADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1OC ZINC000414685385 334069082 /nfs/dbraw/zinc/06/90/82/334069082.db2.gz SROGECMAXMPWID-VIFPVBQESA-N -1 3 320.216 3.687 20 0 DHADHM CCCSCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000296273093 334231089 /nfs/dbraw/zinc/23/10/89/334231089.db2.gz YOILYOYHVVSYDM-UHFFFAOYSA-N -1 3 318.236 3.545 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2ccsc2c1 ZINC000534707832 334331574 /nfs/dbraw/zinc/33/15/74/334331574.db2.gz ALQPMLFDBBAHHL-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM Cc1cccc([C@H](NC(=O)c2ccccc2[O-])c2ccccn2)c1 ZINC000152275668 334334055 /nfs/dbraw/zinc/33/40/55/334334055.db2.gz XABDVNIWUTXYOP-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM O=C(C[C@@H]1CCCN1Cc1cc([O-])cc(F)c1)c1ccccc1 ZINC000187897447 334349772 /nfs/dbraw/zinc/34/97/72/334349772.db2.gz PWMBSHWIWRMLJM-KRWDZBQOSA-N -1 3 313.372 3.769 20 0 DHADHM COCc1c2ccccc2oc1C(=O)Nc1cccc([O-])c1F ZINC000534946493 334350080 /nfs/dbraw/zinc/35/00/80/334350080.db2.gz WUCDUQKMZVYVOV-UHFFFAOYSA-N -1 3 315.300 3.676 20 0 DHADHM Cc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c([O-])c1 ZINC000535041153 334358225 /nfs/dbraw/zinc/35/82/25/334358225.db2.gz RDSQIEVGAQXEGT-INIZCTEOSA-N -1 3 311.381 3.847 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccsc3Cl)n[n-]2)o1 ZINC000187908054 334361133 /nfs/dbraw/zinc/36/11/33/334361133.db2.gz MWFWNCAOTDCJOP-UHFFFAOYSA-N -1 3 307.762 3.945 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccsc3Cl)[n-]n2)o1 ZINC000187908054 334361134 /nfs/dbraw/zinc/36/11/34/334361134.db2.gz MWFWNCAOTDCJOP-UHFFFAOYSA-N -1 3 307.762 3.945 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(F)cc(Cl)c1 ZINC000535137791 334374586 /nfs/dbraw/zinc/37/45/86/334374586.db2.gz JZXYBNTUBXBDAO-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1CC ZINC000535233636 334381256 /nfs/dbraw/zinc/38/12/56/334381256.db2.gz KXYMSAYDQIHOLV-UHFFFAOYSA-N -1 3 307.390 3.751 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000340735854 334383972 /nfs/dbraw/zinc/38/39/72/334383972.db2.gz DPQXONKDNVCCCE-UWVGGRQHSA-N -1 3 323.179 3.836 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1ncsc1C(F)(F)F ZINC000341583595 334458685 /nfs/dbraw/zinc/45/86/85/334458685.db2.gz KCXSPWZYLRAUBC-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCCCS1 ZINC000341597304 334460551 /nfs/dbraw/zinc/46/05/51/334460551.db2.gz DQJURWMNCIBWAJ-NSHDSACASA-N -1 3 305.321 3.635 20 0 DHADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)c1OC ZINC000342436541 334540979 /nfs/dbraw/zinc/54/09/79/334540979.db2.gz MUVSMKVZDLXQMN-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416283578 334659802 /nfs/dbraw/zinc/65/98/02/334659802.db2.gz FZMMDMGRMIPAIT-HIFRSBDPSA-N -1 3 307.409 3.747 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC4(CCC4)C3)c(=O)c2c1 ZINC000164818538 334669385 /nfs/dbraw/zinc/66/93/85/334669385.db2.gz XUQVLKRIJBASBA-UHFFFAOYSA-N -1 3 310.397 3.573 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3cccnc32)c([O-])c1 ZINC000425328218 334769883 /nfs/dbraw/zinc/76/98/83/334769883.db2.gz XHOWLXAVRUPXBK-AWEZNQCLSA-N -1 3 310.397 3.753 20 0 DHADHM CC(C)n1nccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000331229902 334843517 /nfs/dbraw/zinc/84/35/17/334843517.db2.gz GYWMMTMFENQMFG-UHFFFAOYSA-N -1 3 301.390 3.719 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccoc2)C2CCCCC2)n1 ZINC000344364057 335244550 /nfs/dbraw/zinc/24/45/50/335244550.db2.gz KSLHUCIVMOEKFA-UHFFFAOYSA-N -1 3 315.417 3.673 20 0 DHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000344788841 335277391 /nfs/dbraw/zinc/27/73/91/335277391.db2.gz FYXCZRLUHPIQOQ-UHFFFAOYSA-N -1 3 305.324 3.656 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(-c2ccccc2)o1 ZINC000344938703 335286620 /nfs/dbraw/zinc/28/66/20/335286620.db2.gz NEIZOWOMRWQNCB-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(-c2ccccc2)o1 ZINC000344938703 335286621 /nfs/dbraw/zinc/28/66/21/335286621.db2.gz NEIZOWOMRWQNCB-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2ccccc2)o1 ZINC000344938703 335286622 /nfs/dbraw/zinc/28/66/22/335286622.db2.gz NEIZOWOMRWQNCB-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(C)s1 ZINC000032532474 335294207 /nfs/dbraw/zinc/29/42/07/335294207.db2.gz FTPNIGLKELYWOL-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccncc2Cl)c2c([O-])cccc21 ZINC000345143876 335301233 /nfs/dbraw/zinc/30/12/33/335301233.db2.gz VKTKMJQGNLSAAS-JTQLQIEISA-N -1 3 302.761 3.595 20 0 DHADHM C[C@@H]1CCN(C(=O)CCCC(F)(F)F)c2c([O-])cccc21 ZINC000345123614 335303379 /nfs/dbraw/zinc/30/33/79/335303379.db2.gz FHNBIAHZDLCRKC-SNVBAGLBSA-N -1 3 301.308 3.965 20 0 DHADHM COc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1Cl ZINC000345383664 335322281 /nfs/dbraw/zinc/32/22/81/335322281.db2.gz OQKOTJIJTQKTGT-UHFFFAOYSA-N -1 3 317.732 3.584 20 0 DHADHM COc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1Cl ZINC000345383664 335322283 /nfs/dbraw/zinc/32/22/83/335322283.db2.gz OQKOTJIJTQKTGT-UHFFFAOYSA-N -1 3 317.732 3.584 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2ccc(F)cc21 ZINC000345632797 335338197 /nfs/dbraw/zinc/33/81/97/335338197.db2.gz WMBWXKZTHBCFKD-UHFFFAOYSA-N -1 3 317.335 3.582 20 0 DHADHM Cc1ncc(CN[C@@H](c2cc3ccccc3o2)C(C)C)c(=O)[n-]1 ZINC000346805773 335437764 /nfs/dbraw/zinc/43/77/64/335437764.db2.gz IPZKVDDOPBLMSW-QGZVFWFLSA-N -1 3 311.385 3.724 20 0 DHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000347264416 335484380 /nfs/dbraw/zinc/48/43/80/335484380.db2.gz JFIXUHYMGPEHJQ-GZMMTYOYSA-N -1 3 321.726 3.849 20 0 DHADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Cl)c1Cl ZINC000348897473 335616953 /nfs/dbraw/zinc/61/69/53/335616953.db2.gz CKGVDHSSQUNYON-LURJTMIESA-N -1 3 317.197 3.647 20 0 DHADHM CCC(CC)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000350020506 335718444 /nfs/dbraw/zinc/71/84/44/335718444.db2.gz UDPNPYVKBQLHNN-AWEZNQCLSA-N -1 3 304.415 3.756 20 0 DHADHM CC(C)c1cc(C(=O)N(C)C2CCOCC2)c([O-])c(C(C)C)c1 ZINC000536730478 335870098 /nfs/dbraw/zinc/87/00/98/335870098.db2.gz MEMRVPGDUIHURT-UHFFFAOYSA-N -1 3 319.445 3.890 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)c2cccnc2)c1[O-] ZINC000351483964 336037644 /nfs/dbraw/zinc/03/76/44/336037644.db2.gz JYJKSASPCUTBHU-UHFFFAOYSA-N -1 3 304.777 3.665 20 0 DHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ccc2n[n-]nc2c1 ZINC000351530175 336040846 /nfs/dbraw/zinc/04/08/46/336040846.db2.gz RIRZMKRJMKNZML-QGZVFWFLSA-N -1 3 320.396 3.619 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccnc(C2CC2)n1 ZINC000351551380 336042897 /nfs/dbraw/zinc/04/28/97/336042897.db2.gz LGDAFOTXULCRCQ-UHFFFAOYSA-N -1 3 319.817 3.982 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1csc(C(F)(F)F)n1 ZINC000351744813 336064347 /nfs/dbraw/zinc/06/43/47/336064347.db2.gz ZLEAHYWJYHMFBF-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000331366144 336133755 /nfs/dbraw/zinc/13/37/55/336133755.db2.gz CXELLOYKGNCVCQ-MAUKXSAKSA-N -1 3 311.381 3.807 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)c([O-])c1 ZINC000332207991 336162766 /nfs/dbraw/zinc/16/27/66/336162766.db2.gz FQHPUZKNRXZAHD-GOEBONIOSA-N -1 3 319.445 3.671 20 0 DHADHM C[C@H]1CCc2nc(NC(=O)c3cc([O-])ccc3Cl)sc2C1 ZINC000332210353 336163197 /nfs/dbraw/zinc/16/31/97/336163197.db2.gz JMAXQSDKSAROFK-QMMMGPOBSA-N -1 3 322.817 3.879 20 0 DHADHM CC(C)CN(C(=O)c1ccccc1[O-])[C@H]1CCCc2cccnc21 ZINC000332313651 336167780 /nfs/dbraw/zinc/16/77/80/336167780.db2.gz HBILVMZENGSINZ-KRWDZBQOSA-N -1 3 324.424 3.963 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1coc(C2CCCCC2)n1 ZINC000332705487 336179701 /nfs/dbraw/zinc/17/97/01/336179701.db2.gz XVPUAWCRCPONNJ-UHFFFAOYSA-N -1 3 304.321 3.819 20 0 DHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c[n-]c2ccccc2c1=O ZINC000332794398 336185043 /nfs/dbraw/zinc/18/50/43/336185043.db2.gz HNTXWHWRJZDIRD-QLFBSQMISA-N -1 3 324.424 3.617 20 0 DHADHM COc1ccc([C@H]2CCCN2Cc2cc([O-])cc(F)c2)cc1 ZINC000351997587 336187198 /nfs/dbraw/zinc/18/71/98/336187198.db2.gz VEHZJFJXSZYOMC-GOSISDBHSA-N -1 3 301.361 3.877 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3ccsc3)s2)n1 ZINC000352035737 336190959 /nfs/dbraw/zinc/19/09/59/336190959.db2.gz UEWZWYQSOHOGAC-NSCUHMNNSA-N -1 3 301.396 3.846 20 0 DHADHM CC(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000352240740 336205888 /nfs/dbraw/zinc/20/58/88/336205888.db2.gz DZMMWCREVIVTCR-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000352262376 336208326 /nfs/dbraw/zinc/20/83/26/336208326.db2.gz GPSFONFGYHQANW-KRWDZBQOSA-N -1 3 322.412 3.784 20 0 DHADHM Cc1ccc([O-])c(CN(C)CCCOc2ccc(Cl)cc2)n1 ZINC000352297366 336210840 /nfs/dbraw/zinc/21/08/40/336210840.db2.gz KAWDTAFPUUWXIE-UHFFFAOYSA-N -1 3 320.820 3.650 20 0 DHADHM [O-]c1ccc(F)c(CNCc2coc(-c3ccccc3)n2)c1F ZINC000352570374 336225068 /nfs/dbraw/zinc/22/50/68/336225068.db2.gz GQOZZQBLBCQQIJ-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM CCN(c1ccc(C(=O)Nc2c(C)cccc2[O-])cn1)C(C)C ZINC000352652397 336228983 /nfs/dbraw/zinc/22/89/83/336228983.db2.gz LFSSUFCVLIZIEL-UHFFFAOYSA-N -1 3 313.401 3.583 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cccc3cccnc32)c1F ZINC000352791621 336237074 /nfs/dbraw/zinc/23/70/74/336237074.db2.gz QKDPOQCEWVLKGS-UHFFFAOYSA-N -1 3 300.308 3.508 20 0 DHADHM CSc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1F ZINC000580363975 336260262 /nfs/dbraw/zinc/26/02/62/336260262.db2.gz WUOORXMRTOARCT-UHFFFAOYSA-N -1 3 319.357 3.708 20 0 DHADHM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1[O-] ZINC000104862989 336271065 /nfs/dbraw/zinc/27/10/65/336271065.db2.gz MFHBCYGJPKVADA-UHFFFAOYSA-N -1 3 301.773 3.716 20 0 DHADHM Cc1ccc(-c2noc([N-][C@H]3CCc4c3cccc4O)n2)cc1 ZINC000302028383 336344005 /nfs/dbraw/zinc/34/40/05/336344005.db2.gz HSOORTDGLFQVBA-HNNXBMFYSA-N -1 3 307.353 3.850 20 0 DHADHM CCc1nc(C[N-]c2nc(-c3ccc(C)cc3)no2)cs1 ZINC000302689301 336365022 /nfs/dbraw/zinc/36/50/22/336365022.db2.gz UVACEOGJOZRIMQ-UHFFFAOYSA-N -1 3 300.387 3.676 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccccn2)no1 ZINC000320914854 336384642 /nfs/dbraw/zinc/38/46/42/336384642.db2.gz WQIAGPPLRSWNRS-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM O=c1[n-]c(CN(C2CCC2)C2CCC2)nc2c3ccccc3oc21 ZINC000563929857 336384723 /nfs/dbraw/zinc/38/47/23/336384723.db2.gz URDSZYWGYCVQER-UHFFFAOYSA-N -1 3 323.396 3.989 20 0 DHADHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc([O-])ccc1Cl ZINC000353570446 336425811 /nfs/dbraw/zinc/42/58/11/336425811.db2.gz MNSIDOGGTOXCBB-OAHLLOKOSA-N -1 3 305.736 3.602 20 0 DHADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc([O-])ccc1Cl ZINC000353570444 336425868 /nfs/dbraw/zinc/42/58/68/336425868.db2.gz MNSIDOGGTOXCBB-HNNXBMFYSA-N -1 3 305.736 3.602 20 0 DHADHM Cc1ccc([O-])c(CN2CCC(=Cc3ccccc3F)CC2)n1 ZINC000354996488 336490710 /nfs/dbraw/zinc/49/07/10/336490710.db2.gz WXMFVSUSGAUIGQ-UHFFFAOYSA-N -1 3 312.388 3.914 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000355136949 336496119 /nfs/dbraw/zinc/49/61/19/336496119.db2.gz GOSQGMIPSSDDOW-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM COc1ccc(NC(=O)c2cccc([O-])c2)c(C(F)(F)F)c1 ZINC000355510492 336512501 /nfs/dbraw/zinc/51/25/01/336512501.db2.gz QDGKZVPFHAIAKP-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CSc2ccccc21 ZINC000357284059 336579362 /nfs/dbraw/zinc/57/93/62/336579362.db2.gz CSFFRQGSATWVIF-CQSZACIVSA-N -1 3 319.813 3.551 20 0 DHADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc([O-])c1 ZINC000357466874 336586267 /nfs/dbraw/zinc/58/62/67/336586267.db2.gz AKQFBLOVIUTVJM-QGZVFWFLSA-N -1 3 311.356 3.897 20 0 DHADHM COc1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)ccc1[O-] ZINC000357649361 336593363 /nfs/dbraw/zinc/59/33/63/336593363.db2.gz CLZMUTXPUWPXIL-GOSISDBHSA-N -1 3 311.381 3.672 20 0 DHADHM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([O-])cc1F ZINC000360848737 336724294 /nfs/dbraw/zinc/72/42/94/336724294.db2.gz IIBYIWXZQFQJAS-SNVBAGLBSA-N -1 3 319.307 3.518 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1ccoc1C(F)(F)F ZINC000361279944 336748262 /nfs/dbraw/zinc/74/82/62/336748262.db2.gz FONUTCFUXXSIRB-UHFFFAOYSA-N -1 3 309.165 3.968 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cccnc1OC ZINC000362183139 336787029 /nfs/dbraw/zinc/78/70/29/336787029.db2.gz OAJLMLYKLPGVHY-UHFFFAOYSA-N -1 3 306.362 3.594 20 0 DHADHM CCSc1nnc([N-]C(=O)c2cc(F)cc(Cl)c2)s1 ZINC000362513769 336801371 /nfs/dbraw/zinc/80/13/71/336801371.db2.gz RWYLEFYZLFRTCU-UHFFFAOYSA-N -1 3 317.798 3.695 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)nc1C ZINC000362855343 336813454 /nfs/dbraw/zinc/81/34/54/336813454.db2.gz YYTMYHMJIZAYLG-UHFFFAOYSA-N -1 3 318.760 3.512 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(Cl)cn1 ZINC000119181485 336881437 /nfs/dbraw/zinc/88/14/37/336881437.db2.gz FOHKBXFIMIDXHU-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC2(CCCCC2)CC1 ZINC000371518957 336906815 /nfs/dbraw/zinc/90/68/15/336906815.db2.gz UVDASYXTVMBXAA-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM COc1cc(C)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000121530915 336962459 /nfs/dbraw/zinc/96/24/59/336962459.db2.gz IIQLTKJBBYNVFW-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3cnccn3)ccc2C)c1 ZINC000373653653 336967967 /nfs/dbraw/zinc/96/79/67/336967967.db2.gz KDMHAFYPXQPOIB-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1cc([C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000373837676 336974325 /nfs/dbraw/zinc/97/43/25/336974325.db2.gz SXURLYSYLBABEP-QGZVFWFLSA-N -1 3 322.364 3.819 20 0 DHADHM CC[C@@H]1CN(C(=O)c2csc(=O)[n-]2)CC[C@@H]1c1ccccc1 ZINC000376146526 337028336 /nfs/dbraw/zinc/02/83/36/337028336.db2.gz DZQWKRSPMRAGFG-OCCSQVGLSA-N -1 3 316.426 3.505 20 0 DHADHM CC1CCC(OC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000378555549 337075645 /nfs/dbraw/zinc/07/56/45/337075645.db2.gz DTUOLGGRIUJXNI-UHFFFAOYSA-N -1 3 317.429 3.592 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000193801890 337080254 /nfs/dbraw/zinc/08/02/54/337080254.db2.gz FWOQQZBZWFFRTM-OAHLLOKOSA-N -1 3 317.772 3.729 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2coc3ccc(F)cc23)s1 ZINC000582547926 337103458 /nfs/dbraw/zinc/10/34/58/337103458.db2.gz PRCVVNXMCKXHFX-UHFFFAOYSA-N -1 3 319.361 3.973 20 0 DHADHM O=C(Nc1cc(F)c(F)cc1F)c1c[n-]nc1-c1ccccc1 ZINC000173076244 337132009 /nfs/dbraw/zinc/13/20/09/337132009.db2.gz WQVTYBQSCVCJGH-UHFFFAOYSA-N -1 3 317.270 3.746 20 0 DHADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccco1 ZINC000173222235 337133750 /nfs/dbraw/zinc/13/37/50/337133750.db2.gz ZSTXNGCCHPNRSK-UHFFFAOYSA-N -1 3 319.773 3.628 20 0 DHADHM Cc1ccc(NC([O-])=NOCc2ccccc2)cc1-c1ncco1 ZINC000178728800 337164721 /nfs/dbraw/zinc/16/47/21/337164721.db2.gz BIBLPEQQURCRRT-UHFFFAOYSA-N -1 3 323.352 3.903 20 0 DHADHM Cc1ccc(NC(=O)[N-]OCc2ccccc2)cc1-c1ncco1 ZINC000178728800 337164722 /nfs/dbraw/zinc/16/47/22/337164722.db2.gz BIBLPEQQURCRRT-UHFFFAOYSA-N -1 3 323.352 3.903 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)[C@@H](c3ccccc3)C3CC3)[n-]2)o1 ZINC000181882136 337185177 /nfs/dbraw/zinc/18/51/77/337185177.db2.gz XBFRUGDGSIFGHO-HNNXBMFYSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](c3ccccc3)C3CC3)n2)o1 ZINC000181882136 337185178 /nfs/dbraw/zinc/18/51/78/337185178.db2.gz XBFRUGDGSIFGHO-HNNXBMFYSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@H](c3ccccc3)C3CC3)n[n-]2)o1 ZINC000181882136 337185179 /nfs/dbraw/zinc/18/51/79/337185179.db2.gz XBFRUGDGSIFGHO-HNNXBMFYSA-N -1 3 322.368 3.505 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccccc1 ZINC000182469488 337186340 /nfs/dbraw/zinc/18/63/40/337186340.db2.gz NGTKSWWEHCTLOR-GUYCJALGSA-N -1 3 313.422 3.711 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182133485 337186704 /nfs/dbraw/zinc/18/67/04/337186704.db2.gz AXOUOUZYRFADEE-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182473610 337187450 /nfs/dbraw/zinc/18/74/50/337187450.db2.gz AJSWVVXBZHCAAP-BZNIZROVSA-N -1 3 319.788 3.552 20 0 DHADHM O=C(Nc1ccccc1NCC(F)(F)F)c1cccc([O-])c1 ZINC000182248815 337187565 /nfs/dbraw/zinc/18/75/65/337187565.db2.gz GPEWFWBGCNUSOV-UHFFFAOYSA-N -1 3 310.275 3.619 20 0 DHADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccc([O-])c2)CC1 ZINC000182513549 337188708 /nfs/dbraw/zinc/18/87/08/337188708.db2.gz GOLDETGTDXKZEX-PVARCSIZSA-N -1 3 317.429 3.592 20 0 DHADHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc([O-])c1 ZINC000182493448 337188749 /nfs/dbraw/zinc/18/87/49/337188749.db2.gz BBTFRGXIPJVMKQ-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000182550568 337188921 /nfs/dbraw/zinc/18/89/21/337188921.db2.gz ABXIJUQDMIHBHH-AWEZNQCLSA-N -1 3 318.376 3.945 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1SCCc2sccc21 ZINC000183237603 337192472 /nfs/dbraw/zinc/19/24/72/337192472.db2.gz UEEYUROVPZMNRF-CYBMUJFWSA-N -1 3 309.387 3.562 20 0 DHADHM O=C(CSc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000183279617 337192707 /nfs/dbraw/zinc/19/27/07/337192707.db2.gz GUYWFMFHYGTRHZ-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000183273351 337192718 /nfs/dbraw/zinc/19/27/18/337192718.db2.gz LLLWMYGJWFUFLC-MNOVXSKESA-N -1 3 307.271 3.552 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccc(Br)s2)c1 ZINC000184140727 337196457 /nfs/dbraw/zinc/19/64/57/337196457.db2.gz CAQUANWXMACODP-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1c([O-])cccc1Cl ZINC000582874820 337209555 /nfs/dbraw/zinc/20/95/55/337209555.db2.gz ZXIUMRVWEXGZSU-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM COc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)c1 ZINC000583089589 337239156 /nfs/dbraw/zinc/23/91/56/337239156.db2.gz JFZMEMUBKUOSDC-MRXNPFEDSA-N -1 3 315.369 3.632 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1csc(Br)c1 ZINC000227689514 337249448 /nfs/dbraw/zinc/24/94/48/337249448.db2.gz OXLVKUISMFNTRH-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM Cc1cc([C@@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)ccc1F ZINC000186240445 337254912 /nfs/dbraw/zinc/25/49/12/337254912.db2.gz KRDUCVYRMTYYNL-SFHVURJKSA-N -1 3 319.351 3.552 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000186254767 337254942 /nfs/dbraw/zinc/25/49/42/337254942.db2.gz CCUKMOCMYAVRNH-UHFFFAOYSA-N -1 3 307.409 3.703 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000188808733 337275384 /nfs/dbraw/zinc/27/53/84/337275384.db2.gz ZBLJEWALJHAUAQ-UHFFFAOYSA-N -1 3 323.392 3.590 20 0 DHADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188837305 337275643 /nfs/dbraw/zinc/27/56/43/337275643.db2.gz LIDYYLMDRPXNKN-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM COc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188818429 337275716 /nfs/dbraw/zinc/27/57/16/337275716.db2.gz UUKIEGSLEYSTIP-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1c(C)cccc1[O-] ZINC000190964360 337291756 /nfs/dbraw/zinc/29/17/56/337291756.db2.gz MNMMBNWRNWRTHY-UHFFFAOYSA-N -1 3 302.399 3.670 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(C2CCC2)cc1 ZINC000191157664 337292612 /nfs/dbraw/zinc/29/26/12/337292612.db2.gz GYZQDRDEFWFWIF-UHFFFAOYSA-N -1 3 308.341 3.585 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(C2CCC2)cc1 ZINC000191157664 337292613 /nfs/dbraw/zinc/29/26/13/337292613.db2.gz GYZQDRDEFWFWIF-UHFFFAOYSA-N -1 3 308.341 3.585 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C2CCC2)cc1 ZINC000191157664 337292614 /nfs/dbraw/zinc/29/26/14/337292614.db2.gz GYZQDRDEFWFWIF-UHFFFAOYSA-N -1 3 308.341 3.585 20 0 DHADHM CC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000584474871 337346304 /nfs/dbraw/zinc/34/63/04/337346304.db2.gz LBQHZHMNSBGWMF-ZDUSSCGKSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ncccc1[O-] ZINC000045574549 337420993 /nfs/dbraw/zinc/42/09/93/337420993.db2.gz SDHXYCXLAJYFLP-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM CCOc1cc(-c2noc([C@H](CC(C)C)OC)n2)ccc1[O-] ZINC000420497105 337503898 /nfs/dbraw/zinc/50/38/98/337503898.db2.gz ZDUDMEVZTUPFTJ-AWEZNQCLSA-N -1 3 306.362 3.575 20 0 DHADHM CC(C)(CCNCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000263045053 337623496 /nfs/dbraw/zinc/62/34/96/337623496.db2.gz JSSMXPHUSHYDMZ-UHFFFAOYSA-N -1 3 322.405 3.540 20 0 DHADHM CC1(C)C[C@@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000263381382 337627238 /nfs/dbraw/zinc/62/72/38/337627238.db2.gz BRONEQWYKKTIBI-MRXNPFEDSA-N -1 3 311.381 3.777 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CNCCCC(=O)[O-] ZINC000263401451 337627797 /nfs/dbraw/zinc/62/77/97/337627797.db2.gz IFFLJCGPMYVQKI-UHFFFAOYSA-N -1 3 301.839 3.795 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(c3ccsc3)CC2)c1 ZINC000263411031 337628113 /nfs/dbraw/zinc/62/81/13/337628113.db2.gz LJRJLCOIPZCBFA-UHFFFAOYSA-N -1 3 301.411 3.826 20 0 DHADHM CC(C)C[C@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000263453491 337629640 /nfs/dbraw/zinc/62/96/40/337629640.db2.gz BGCRIYXCSSEHEI-SNVBAGLBSA-N -1 3 304.217 3.830 20 0 DHADHM CC(C)C[C@H](CNCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000263452904 337629704 /nfs/dbraw/zinc/62/97/04/337629704.db2.gz BDMMVLQJTNSCCL-CQSZACIVSA-N -1 3 318.442 3.647 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1[O-] ZINC000445416782 337687726 /nfs/dbraw/zinc/68/77/26/337687726.db2.gz HBBIESCYMVNMEB-UHFFFAOYSA-N -1 3 300.289 3.647 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cccc(Cl)c1Cl ZINC000424613982 337918410 /nfs/dbraw/zinc/91/84/10/337918410.db2.gz HJWRDILADJCRLM-CABZTGNLSA-N -1 3 304.217 3.828 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(Cl)c1Cl ZINC000424618469 337924379 /nfs/dbraw/zinc/92/43/79/337924379.db2.gz KAGWSFQPHLXJID-IONNQARKSA-N -1 3 310.246 3.890 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000424629127 337928072 /nfs/dbraw/zinc/92/80/72/337928072.db2.gz XIPHTHYVNVXQCE-LRDDRELGSA-N -1 3 318.442 3.645 20 0 DHADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(F)c(F)c1 ZINC000537641771 337954776 /nfs/dbraw/zinc/95/47/76/337954776.db2.gz WRRLFUHJZLGJHB-UHFFFAOYSA-N -1 3 317.335 3.826 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000424763435 337984457 /nfs/dbraw/zinc/98/44/57/337984457.db2.gz ZZDCDWPMUZYDNR-WPRPVWTQSA-N -1 3 316.170 3.622 20 0 DHADHM C[C@H]1[C@@H](c2nc(-c3ccc4n[n-]nc4c3)no2)[C@@H]1c1ccccc1 ZINC000516369484 338012090 /nfs/dbraw/zinc/01/20/90/338012090.db2.gz UFVWAMPMCOZVCZ-HPEXNQPKSA-N -1 3 317.352 3.525 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000516472874 338013185 /nfs/dbraw/zinc/01/31/85/338013185.db2.gz NZWHWLGQOWETFX-VHSXEESVSA-N -1 3 315.291 3.512 20 0 DHADHM Cc1cccc(C[C@@H](CNCc2ccccc2Cl)C(=O)[O-])c1 ZINC000426630968 338036559 /nfs/dbraw/zinc/03/65/59/338036559.db2.gz LYTNHISVNUNUGA-INIZCTEOSA-N -1 3 317.816 3.682 20 0 DHADHM CC(C)(CCCNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426644809 338036746 /nfs/dbraw/zinc/03/67/46/338036746.db2.gz XVCBMWIMECTBNI-UHFFFAOYSA-N -1 3 304.217 3.974 20 0 DHADHM Cc1ccc([C@H](NCc2cc3ccc(F)cc3[nH]2)C(=O)[O-])cc1 ZINC000426701833 338038524 /nfs/dbraw/zinc/03/85/24/338038524.db2.gz AYHSOZQWCLQIIP-KRWDZBQOSA-N -1 3 312.344 3.531 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccccc2F)cc1 ZINC000426719993 338039147 /nfs/dbraw/zinc/03/91/47/338039147.db2.gz KEIFBZFHEIKQKR-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2sccc2C)cc1 ZINC000426720399 338039242 /nfs/dbraw/zinc/03/92/42/338039242.db2.gz MQALULHKEDGIMK-OAHLLOKOSA-N -1 3 319.426 3.761 20 0 DHADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1ccsc1Cl ZINC000426749426 338040681 /nfs/dbraw/zinc/04/06/81/338040681.db2.gz FUVWRYYTGBLVLU-RYUDHWBXSA-N -1 3 301.839 3.915 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000426756343 338040884 /nfs/dbraw/zinc/04/08/84/338040884.db2.gz JKOIDBQFKDTINR-KBXCAEBGSA-N -1 3 313.397 3.555 20 0 DHADHM COc1ccc(C)cc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000426756345 338040933 /nfs/dbraw/zinc/04/09/33/338040933.db2.gz JKOIDBQFKDTINR-KSSFIOAISA-N -1 3 313.397 3.555 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000426759332 338041182 /nfs/dbraw/zinc/04/11/82/338041182.db2.gz MJCRLZIQCZLYLI-LRDDRELGSA-N -1 3 303.789 3.892 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000426762278 338041254 /nfs/dbraw/zinc/04/12/54/338041254.db2.gz IWIWJCRRVOVMLU-MRXNPFEDSA-N -1 3 323.314 3.636 20 0 DHADHM CCc1c([N-]C(=O)[C@H](C)OCCC(C)C)onc1C(F)(F)F ZINC000431391648 338129720 /nfs/dbraw/zinc/12/97/20/338129720.db2.gz NUBWWSGREFIVLS-VIFPVBQESA-N -1 3 322.327 3.646 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2cc[nH]n2)s1 ZINC000431909405 338141552 /nfs/dbraw/zinc/14/15/52/338141552.db2.gz NNAAZDXFMSNHIV-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(C3CCC3)cc2)[n-]1 ZINC000432657469 338161797 /nfs/dbraw/zinc/16/17/97/338161797.db2.gz MBROMFQXVAOLET-UHFFFAOYSA-N -1 3 302.399 3.756 20 0 DHADHM [O-]c1cc(F)cc(CNCc2cc(F)c(Cl)cc2F)c1 ZINC000433193148 338185052 /nfs/dbraw/zinc/18/50/52/338185052.db2.gz PBOMFEMXFAOAHX-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3c(c2)ncn3C)CC)n1 ZINC000435338577 338237306 /nfs/dbraw/zinc/23/73/06/338237306.db2.gz GXPDPDANMHGQIH-NTEUORMPSA-N -1 3 322.412 3.560 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccn(C(F)F)n2)CC)n1 ZINC000435337031 338237392 /nfs/dbraw/zinc/23/73/92/338237392.db2.gz SRIBTBDTCJSASB-CSKARUKUSA-N -1 3 308.332 3.677 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C ZINC000435731372 338246665 /nfs/dbraw/zinc/24/66/65/338246665.db2.gz KTQROTBXGMYNTP-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1c(Br)ccc(C(=O)Nc2ccccc2[O-])c1F ZINC000436420858 338272020 /nfs/dbraw/zinc/27/20/20/338272020.db2.gz GJLYMTLSOMGGLZ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1 ZINC000436478147 338273641 /nfs/dbraw/zinc/27/36/41/338273641.db2.gz PBAWNVZYFPSIQK-UHFFFAOYSA-N -1 3 323.801 3.792 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC[C@@H]1C(F)F ZINC000436494089 338274243 /nfs/dbraw/zinc/27/42/43/338274243.db2.gz MOLXNBYGNFFEMR-CQSZACIVSA-N -1 3 309.356 3.531 20 0 DHADHM CCCCOc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436499333 338274420 /nfs/dbraw/zinc/27/44/20/338274420.db2.gz YSVJSDBOQGEVKD-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nn1C(F)F ZINC000436508122 338274539 /nfs/dbraw/zinc/27/45/39/338274539.db2.gz BYMNKDUKNCTCRY-UHFFFAOYSA-N -1 3 323.343 3.842 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1[O-] ZINC000436513175 338274600 /nfs/dbraw/zinc/27/46/00/338274600.db2.gz LRRFIYJKRPBOMX-IBGZPJMESA-N -1 3 313.372 3.720 20 0 DHADHM C[C@@H](Cn1ncc2ccccc21)c1nc(-c2ccc([O-])cc2)no1 ZINC000436515601 338274882 /nfs/dbraw/zinc/27/48/82/338274882.db2.gz SKHWYNAGZYFOSD-LBPRGKRZSA-N -1 3 320.352 3.596 20 0 DHADHM Cc1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)c([O-])c1C ZINC000436520802 338275034 /nfs/dbraw/zinc/27/50/34/338275034.db2.gz JIQBBFQNCQXWAR-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM Cc1cccc(C(=O)N2CCc3c(Cl)cccc3C2)c1[O-] ZINC000436527807 338275379 /nfs/dbraw/zinc/27/53/79/338275379.db2.gz JJASCJARUOWRPI-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000436533705 338275558 /nfs/dbraw/zinc/27/55/58/338275558.db2.gz VCGQWOIKJLMRRD-ZDUSSCGKSA-N -1 3 322.364 3.847 20 0 DHADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(F)c3F)c([O-])c2O1 ZINC000436538724 338276145 /nfs/dbraw/zinc/27/61/45/338276145.db2.gz JMKZPYWFHMLMEB-UHFFFAOYSA-N -1 3 319.307 3.636 20 0 DHADHM CC[C@@H]1COCCN1C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436544893 338276292 /nfs/dbraw/zinc/27/62/92/338276292.db2.gz AEOCTLMAQFJYQT-OAHLLOKOSA-N -1 3 319.445 3.890 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000436545204 338276305 /nfs/dbraw/zinc/27/63/05/338276305.db2.gz RJCUJPYSBWGQGB-ZYHUDNBSSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1C ZINC000436543849 338276411 /nfs/dbraw/zinc/27/64/11/338276411.db2.gz JQOYFUZNJHWPQX-WCQYABFASA-N -1 3 315.335 3.812 20 0 DHADHM CCSc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436549012 338276461 /nfs/dbraw/zinc/27/64/61/338276461.db2.gz ONOMLYJFVNTJHR-UHFFFAOYSA-N -1 3 303.383 3.765 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1[O-] ZINC000436552806 338276887 /nfs/dbraw/zinc/27/68/87/338276887.db2.gz AKQGZVORDIIMPP-LLVKDONJSA-N -1 3 318.442 3.946 20 0 DHADHM Cc1csc([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436561206 338277029 /nfs/dbraw/zinc/27/70/29/338277029.db2.gz FBHJJXSKSBBHBX-LLVKDONJSA-N -1 3 316.426 3.527 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436565363 338277242 /nfs/dbraw/zinc/27/72/42/338277242.db2.gz QTTGISDTJGRPQH-CMPLNLGQSA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436577525 338277941 /nfs/dbraw/zinc/27/79/41/338277941.db2.gz UTHUOXREZVPSKR-CYBMUJFWSA-N -1 3 317.429 3.614 20 0 DHADHM CC(C)C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436577527 338278002 /nfs/dbraw/zinc/27/80/02/338278002.db2.gz UTHUOXREZVPSKR-ZDUSSCGKSA-N -1 3 317.429 3.614 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1C ZINC000436583953 338278369 /nfs/dbraw/zinc/27/83/69/338278369.db2.gz IDVDUZJZLWNZDL-HNNXBMFYSA-N -1 3 313.372 3.778 20 0 DHADHM Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c([O-])c1C ZINC000436583508 338278381 /nfs/dbraw/zinc/27/83/81/338278381.db2.gz HISVPAVXAWKUMI-UHFFFAOYSA-N -1 3 319.470 3.901 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1C ZINC000436588299 338278729 /nfs/dbraw/zinc/27/87/29/338278729.db2.gz SKZFKCHTZDRAJH-GJZGRUSLSA-N -1 3 305.443 3.509 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)c([O-])c1 ZINC000436591859 338278925 /nfs/dbraw/zinc/27/89/25/338278925.db2.gz RODQEFNFXHZMIN-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N(CC(F)F)CC1CCC1 ZINC000436599894 338279377 /nfs/dbraw/zinc/27/93/77/338279377.db2.gz CSBPHMCENCVXBI-UHFFFAOYSA-N -1 3 323.383 3.778 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cncs3)n2)c2ccccc12 ZINC000436604432 338279439 /nfs/dbraw/zinc/27/94/39/338279439.db2.gz ANGGUJIMKWMJFY-UHFFFAOYSA-N -1 3 323.377 3.837 20 0 DHADHM CN(Cc1ccoc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436604629 338279669 /nfs/dbraw/zinc/27/96/69/338279669.db2.gz DIDNPMJOSWIOPL-UHFFFAOYSA-N -1 3 321.376 3.848 20 0 DHADHM COC1(Cc2nc(-c3ccc([O-])c4ccccc34)no2)CCC1 ZINC000436614348 338280182 /nfs/dbraw/zinc/28/01/82/338280182.db2.gz WRHMITVSOSGWPJ-UHFFFAOYSA-N -1 3 310.353 3.707 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1C ZINC000436624316 338280414 /nfs/dbraw/zinc/28/04/14/338280414.db2.gz KOXHETKZDXLGQX-NSHDSACASA-N -1 3 305.324 3.778 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)CCc2ccco2)c([O-])c1 ZINC000436623960 338280469 /nfs/dbraw/zinc/28/04/69/338280469.db2.gz JNQUXOXPDLOWSB-CYBMUJFWSA-N -1 3 301.386 3.860 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2c1cccc2F ZINC000436627819 338280578 /nfs/dbraw/zinc/28/05/78/338280578.db2.gz YNBNMGAIHCMEEF-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436636132 338280862 /nfs/dbraw/zinc/28/08/62/338280862.db2.gz TWKLEWAKEJGDOC-CQSZACIVSA-N -1 3 313.397 3.842 20 0 DHADHM CCc1ccc(-c2nc(-c3ncsc3Cl)no2)c([O-])c1 ZINC000436659645 338282037 /nfs/dbraw/zinc/28/20/37/338282037.db2.gz QDDBHYGKAFDYNX-UHFFFAOYSA-N -1 3 307.762 3.782 20 0 DHADHM Cc1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)c([O-])c1 ZINC000436669089 338282147 /nfs/dbraw/zinc/28/21/47/338282147.db2.gz ZQSSQHKVERBEMB-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM CN(CC1CCCCC1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436674026 338282325 /nfs/dbraw/zinc/28/23/25/338282325.db2.gz GONHJKAYJMAFQN-UHFFFAOYSA-N -1 3 317.429 3.758 20 0 DHADHM Cc1cccc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c1[O-] ZINC000436682709 338282735 /nfs/dbraw/zinc/28/27/35/338282735.db2.gz RHIGHHGYXJWSMF-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccnc3OC(C)C)no2)c1 ZINC000436687181 338282775 /nfs/dbraw/zinc/28/27/75/338282775.db2.gz JZPAQSPGBMDWFT-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cc(SC)ccc2C)c1[O-] ZINC000436685916 338282798 /nfs/dbraw/zinc/28/27/98/338282798.db2.gz CLXPOEOMHASFMQ-UHFFFAOYSA-N -1 3 317.410 3.992 20 0 DHADHM [O-]c1ccc(-c2noc(C(F)(F)c3c(F)cccc3F)n2)cc1 ZINC000436685168 338282897 /nfs/dbraw/zinc/28/28/97/338282897.db2.gz KMERJIQRIBQZAO-UHFFFAOYSA-N -1 3 324.233 3.861 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([O-])c1C ZINC000436696456 338283168 /nfs/dbraw/zinc/28/31/68/338283168.db2.gz HCAVSUHJXLMRGL-OAHLLOKOSA-N -1 3 311.381 3.765 20 0 DHADHM Cc1ccc(C(=O)NCc2cccc(-c3cccnc3)c2)c([O-])c1 ZINC000436699172 338283405 /nfs/dbraw/zinc/28/34/05/338283405.db2.gz QLOYCIZQBFMMBE-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM COc1cc(C)cc(C(=O)N(C)c2cc(Cl)ccc2C)c1[O-] ZINC000436708828 338283453 /nfs/dbraw/zinc/28/34/53/338283453.db2.gz VVRPOZYVXMQXQE-UHFFFAOYSA-N -1 3 319.788 3.948 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2C)c([O-])c1C ZINC000436728264 338284432 /nfs/dbraw/zinc/28/44/32/338284432.db2.gz JNRHVSNCVXUPCY-UHFFFAOYSA-N -1 3 301.361 3.729 20 0 DHADHM COc1cc(-c2noc(-c3cc(C)c(F)c(C)c3)n2)ccc1[O-] ZINC000436729805 338284570 /nfs/dbraw/zinc/28/45/70/338284570.db2.gz CRXNSSYHQFYXAW-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c([O-])c1 ZINC000436738074 338284923 /nfs/dbraw/zinc/28/49/23/338284923.db2.gz MZNXUALBXPSRCE-HNNXBMFYSA-N -1 3 322.408 3.720 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)c([O-])c1 ZINC000436746372 338285113 /nfs/dbraw/zinc/28/51/13/338285113.db2.gz FIZJOVPDARVXRR-ZDUSSCGKSA-N -1 3 301.308 3.586 20 0 DHADHM CN(Cc1cccc(F)c1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436752655 338285444 /nfs/dbraw/zinc/28/54/44/338285444.db2.gz BYURNQHXQIAZNM-UHFFFAOYSA-N -1 3 313.372 3.682 20 0 DHADHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436754191 338285517 /nfs/dbraw/zinc/28/55/17/338285517.db2.gz HWWNUCBEVKPMQR-UHFFFAOYSA-N -1 3 309.409 3.802 20 0 DHADHM CCN(CC)Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000436759942 338285941 /nfs/dbraw/zinc/28/59/41/338285941.db2.gz IWEKHWIOSXJHQW-UHFFFAOYSA-N -1 3 316.376 3.625 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000436759778 338285974 /nfs/dbraw/zinc/28/59/74/338285974.db2.gz GGLYMAKIPVOJEF-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM COc1ccc(O[C@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436765415 338286420 /nfs/dbraw/zinc/28/64/20/338286420.db2.gz ATAXHNTUOWRBOR-LLVKDONJSA-N -1 3 312.325 3.591 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccc(Cl)s3)n2)cc1 ZINC000436767687 338286601 /nfs/dbraw/zinc/28/66/01/338286601.db2.gz HBQJDIPUINYGBU-UHFFFAOYSA-N -1 3 306.774 3.942 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1-c1ccccc1 ZINC000436770591 338286775 /nfs/dbraw/zinc/28/67/75/338286775.db2.gz RTLYGESBWXKHHL-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)no3)n2)cc1 ZINC000436770373 338286831 /nfs/dbraw/zinc/28/68/31/338286831.db2.gz QTZQASWLSGUENZ-UHFFFAOYSA-N -1 3 305.293 3.764 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ncsc3C(F)(F)F)n2)cc1 ZINC000436774797 338286918 /nfs/dbraw/zinc/28/69/18/338286918.db2.gz XJEJJBJXYISNAC-UHFFFAOYSA-N -1 3 313.260 3.585 20 0 DHADHM COc1ccccc1C[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436778207 338287041 /nfs/dbraw/zinc/28/70/41/338287041.db2.gz QRFUXSUONREIBW-ZDUSSCGKSA-N -1 3 324.380 3.872 20 0 DHADHM COc1cc(-c2noc([C@H](C)Oc3ccccc3)n2)ccc1[O-] ZINC000436783802 338287229 /nfs/dbraw/zinc/28/72/29/338287229.db2.gz ISEKWYRJZYYJFO-NSHDSACASA-N -1 3 312.325 3.591 20 0 DHADHM COc1cc(-c2noc(-c3ccc4ccccc4n3)n2)ccc1[O-] ZINC000436786081 338287333 /nfs/dbraw/zinc/28/73/33/338287333.db2.gz BQUPXYYNDFLWLB-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CCc1c(NC(=O)c2cc(C)ccc2[O-])cnn1-c1ccccc1 ZINC000436793238 338287610 /nfs/dbraw/zinc/28/76/10/338287610.db2.gz QORAIQIASYWCPZ-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC000436813417 338288321 /nfs/dbraw/zinc/28/83/21/338288321.db2.gz DSUGNOUNTPFVCG-QGZVFWFLSA-N -1 3 317.429 3.547 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c([O-])c1 ZINC000436817362 338288402 /nfs/dbraw/zinc/28/84/02/338288402.db2.gz AQHNMWSCSKDAJQ-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)CCCC(F)(F)F)c([O-])c1C ZINC000436820336 338288599 /nfs/dbraw/zinc/28/85/99/338288599.db2.gz HACDIKMUHNSKHD-SNVBAGLBSA-N -1 3 303.324 3.860 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nc(C(C)(C)C)cs2)c1[O-] ZINC000436829198 338288999 /nfs/dbraw/zinc/28/89/99/338288999.db2.gz KWUFLXDYMPECOH-UHFFFAOYSA-N -1 3 320.414 3.716 20 0 DHADHM CCc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c([O-])c1 ZINC000436833455 338289127 /nfs/dbraw/zinc/28/91/27/338289127.db2.gz LVGPSXVJLDOPIH-UHFFFAOYSA-N -1 3 314.360 3.920 20 0 DHADHM CCc1c(NC(=O)c2ccc([O-])c(C)c2)cnn1-c1ccccc1 ZINC000436836997 338289386 /nfs/dbraw/zinc/28/93/86/338289386.db2.gz FOTWDZCTARWIJO-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436846396 338289651 /nfs/dbraw/zinc/28/96/51/338289651.db2.gz NBSZGOBZWPWLLB-KRWDZBQOSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(F)c(OC)cc2C)c([O-])c1 ZINC000436842566 338289655 /nfs/dbraw/zinc/28/96/55/338289655.db2.gz YKDHPHZIIHYORJ-UHFFFAOYSA-N -1 3 303.333 3.663 20 0 DHADHM CCc1ccc([C@@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000436855568 338290106 /nfs/dbraw/zinc/29/01/06/338290106.db2.gz VMKJPMCSPMMAIM-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(C2CCC2)C1 ZINC000436864884 338290455 /nfs/dbraw/zinc/29/04/55/338290455.db2.gz OPYWPAQKABROII-UHFFFAOYSA-N -1 3 321.420 3.855 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1[O-] ZINC000436872461 338290968 /nfs/dbraw/zinc/29/09/68/338290968.db2.gz WQQMLQRYKWOSMC-KRWDZBQOSA-N -1 3 309.365 3.572 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(C)cc3OC)no2)c([O-])c1 ZINC000436882042 338291625 /nfs/dbraw/zinc/29/16/25/338291625.db2.gz PLMCUJHZHMXZIH-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM COc1cc(-c2nc(CC3(C)CCCC3)no2)cc(OC)c1[O-] ZINC000436883913 338291740 /nfs/dbraw/zinc/29/17/40/338291740.db2.gz DAABWZXUGYBVEB-UHFFFAOYSA-N -1 3 318.373 3.582 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3cccc4cccnc43)no2)c1 ZINC000436891763 338292212 /nfs/dbraw/zinc/29/22/12/338292212.db2.gz YVCUEXPNIVUNCA-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000436902045 338292715 /nfs/dbraw/zinc/29/27/15/338292715.db2.gz IQTSVTFHLDBQEK-KRWDZBQOSA-N -1 3 315.388 3.837 20 0 DHADHM Cc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)ccc1[O-] ZINC000436900163 338292721 /nfs/dbraw/zinc/29/27/21/338292721.db2.gz HFVZKVBJDLVLHA-OAHLLOKOSA-N -1 3 313.397 3.598 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2ccc([O-])c(C)c2)on1 ZINC000436901260 338292730 /nfs/dbraw/zinc/29/27/30/338292730.db2.gz GMCZEXVZEHUQPQ-UHFFFAOYSA-N -1 3 302.374 3.522 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436900725 338292746 /nfs/dbraw/zinc/29/27/46/338292746.db2.gz JPSLNFUGPSEPQP-SCOAYWHSSA-N -1 3 323.392 3.719 20 0 DHADHM Cc1cc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)ccc1[O-] ZINC000436902548 338292775 /nfs/dbraw/zinc/29/27/75/338292775.db2.gz QIWAALLWIQJBJD-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM CCOCc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000436912003 338293152 /nfs/dbraw/zinc/29/31/52/338293152.db2.gz VJAGYYSADARUAS-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM Cc1ccc(SC[C@@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436908375 338293163 /nfs/dbraw/zinc/29/31/63/338293163.db2.gz IRVCTEMLECEMAT-CQSZACIVSA-N -1 3 315.438 3.920 20 0 DHADHM Cc1ccc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)c([O-])c1 ZINC000436926698 338293777 /nfs/dbraw/zinc/29/37/77/338293777.db2.gz ORQCXFLKLNSIGE-UHFFFAOYSA-N -1 3 322.408 3.638 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1[O-] ZINC000436927923 338293811 /nfs/dbraw/zinc/29/38/11/338293811.db2.gz UPVPMYUIEMMAFS-MAUKXSAKSA-N -1 3 309.409 3.966 20 0 DHADHM C[C@H](c1noc(-c2ccccc2[O-])n1)c1c(F)cccc1F ZINC000436931941 338294220 /nfs/dbraw/zinc/29/42/20/338294220.db2.gz NHWKAFUHCXCDNR-VIFPVBQESA-N -1 3 302.280 3.872 20 0 DHADHM COc1cccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c1[O-] ZINC000436932683 338294281 /nfs/dbraw/zinc/29/42/81/338294281.db2.gz QIMCKHJCYWBVPD-LLVKDONJSA-N -1 3 312.325 3.591 20 0 DHADHM Cc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)ccc1[O-] ZINC000436935764 338294361 /nfs/dbraw/zinc/29/43/61/338294361.db2.gz LMTVDOABRCIVQU-CZUORRHYSA-N -1 3 313.372 3.858 20 0 DHADHM Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)ccc1[O-] ZINC000436935762 338294384 /nfs/dbraw/zinc/29/43/84/338294384.db2.gz LMTVDOABRCIVQU-CJNGLKHVSA-N -1 3 313.372 3.858 20 0 DHADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000436938114 338294543 /nfs/dbraw/zinc/29/45/43/338294543.db2.gz KEIJDVXTAFQLNN-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CCCOc1cc(C)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436937344 338294576 /nfs/dbraw/zinc/29/45/76/338294576.db2.gz HVIINHWOPLGNDV-UHFFFAOYSA-N -1 3 313.397 3.728 20 0 DHADHM CC[C@H](CNC(=O)c1ccc([O-])c(C)c1)Oc1cccc(C)c1 ZINC000436939726 338294799 /nfs/dbraw/zinc/29/47/99/338294799.db2.gz QFNSJWGJRMYLIC-MRXNPFEDSA-N -1 3 313.397 3.596 20 0 DHADHM COC(=O)c1ccc(/C=C/c2ccc3cc(C)cc([O-])c3n2)o1 ZINC000436946170 338295139 /nfs/dbraw/zinc/29/51/39/338295139.db2.gz WDSLEWNTDUBODR-AATRIKPKSA-N -1 3 309.321 3.799 20 0 DHADHM CC[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccncc1 ZINC000436973850 338296441 /nfs/dbraw/zinc/29/64/41/338296441.db2.gz ZMJAKZARHRFVHW-KRWDZBQOSA-N -1 3 310.397 3.547 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CC)C2)c([O-])c1 ZINC000436973016 338296446 /nfs/dbraw/zinc/29/64/46/338296446.db2.gz RSJQDGPDWFADRE-CQSZACIVSA-N -1 3 305.418 3.833 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(C(C)(C)C)c2O)c1[O-] ZINC000436974605 338296528 /nfs/dbraw/zinc/29/65/28/338296528.db2.gz ZTRTXZNJXXSFST-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM O=C(Nc1ccc2c(c1)COC2)c1ccc2c(c1[O-])CCCC2 ZINC000436979886 338296579 /nfs/dbraw/zinc/29/65/79/338296579.db2.gz NITITXPQZVLZFS-UHFFFAOYSA-N -1 3 309.365 3.554 20 0 DHADHM Cc1nc(C)c(NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000436979246 338296586 /nfs/dbraw/zinc/29/65/86/338296586.db2.gz XWMKZEOHCVUSCR-UHFFFAOYSA-N -1 3 302.399 3.597 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436982736 338296659 /nfs/dbraw/zinc/29/66/59/338296659.db2.gz HQJZIQNTDXMERA-CYBMUJFWSA-N -1 3 301.773 3.675 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436991639 338296963 /nfs/dbraw/zinc/29/69/63/338296963.db2.gz RUJJLSUYYPAUMN-GXFFZTMASA-N -1 3 315.335 3.929 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000436991733 338296969 /nfs/dbraw/zinc/29/69/69/338296969.db2.gz ZBQBOFTXXRHASW-GASCZTMLSA-N -1 3 317.429 3.833 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N(CC(F)F)CC1CCC1 ZINC000436988859 338296988 /nfs/dbraw/zinc/29/69/88/338296988.db2.gz PONRDSMBJKHEKC-UHFFFAOYSA-N -1 3 323.383 3.778 20 0 DHADHM Cc1cnc([C@@H](C)CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436993097 338297242 /nfs/dbraw/zinc/29/72/42/338297242.db2.gz YIJKGHKGODPRGI-NSHDSACASA-N -1 3 318.442 3.814 20 0 DHADHM Cc1ccc(-c2nc(COc3ccccc3F)no2)c([O-])c1C ZINC000436999330 338297270 /nfs/dbraw/zinc/29/72/70/338297270.db2.gz QYDHIGVNKFQGJX-UHFFFAOYSA-N -1 3 314.316 3.777 20 0 DHADHM CC1=CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000437956793 338326289 /nfs/dbraw/zinc/32/62/89/338326289.db2.gz TUVWOFDKXGIBDW-UHFFFAOYSA-N -1 3 309.365 3.977 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1(Cc2ccc(F)cc2)CC1 ZINC000438273556 338338271 /nfs/dbraw/zinc/33/82/71/338338271.db2.gz BNBCKDGOIYGWNI-UHFFFAOYSA-N -1 3 303.308 3.632 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2ccccc2F)c([O-])c1 ZINC000439061676 338359946 /nfs/dbraw/zinc/35/99/46/338359946.db2.gz URBYUMACICNJLV-UHFFFAOYSA-N -1 3 301.361 3.927 20 0 DHADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000448628222 338381227 /nfs/dbraw/zinc/38/12/27/338381227.db2.gz QTWWYFAKVAMURZ-SFHVURJKSA-N -1 3 319.351 3.726 20 0 DHADHM CC(C)c1ccc(-c2nc([C@@H]3CCOC[C@H]3C)no2)c([O-])c1 ZINC000442683602 338427751 /nfs/dbraw/zinc/42/77/51/338427751.db2.gz WAMYSQGYOZTCGK-DGCLKSJQSA-N -1 3 302.374 3.706 20 0 DHADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](C(C)C)c3ccccc32)on1 ZINC000447399582 338551531 /nfs/dbraw/zinc/55/15/31/338551531.db2.gz YAAFVVHLIPYDQZ-ZFWWWQNUSA-N -1 3 313.401 3.570 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1ccsc1Br ZINC000450280751 338675111 /nfs/dbraw/zinc/67/51/11/338675111.db2.gz ZUXQLYFQSDZWLA-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM Cc1cccc2c1C[C@@H](C(=O)N1CC[C@@H](C)c3cccc([O-])c31)O2 ZINC000450942085 338713570 /nfs/dbraw/zinc/71/35/70/338713570.db2.gz ULVKCHQOGOGKGW-ACJLOTCBSA-N -1 3 323.392 3.545 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])NCC1(C(F)F)CC1 ZINC000451319645 338729380 /nfs/dbraw/zinc/72/93/80/338729380.db2.gz ZVBPGRRLHRNPLW-UHFFFAOYSA-N -1 3 319.351 3.640 20 0 DHADHM CC(C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC(C)(C)C1 ZINC000457077024 338950281 /nfs/dbraw/zinc/95/02/81/338950281.db2.gz QWHASIFJMRMXIU-UHFFFAOYSA-N -1 3 312.413 3.567 20 0 DHADHM O=c1cc(CN2CCC[C@H]2c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000459283459 339019204 /nfs/dbraw/zinc/01/92/04/339019204.db2.gz FIMDMOUPFBYWOY-INIZCTEOSA-N -1 3 313.376 3.536 20 0 DHADHM CC(C)N(Cc1cccs1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459306070 339020540 /nfs/dbraw/zinc/02/05/40/339020540.db2.gz PTWXQNMQQSVZBI-UHFFFAOYSA-N -1 3 303.431 3.532 20 0 DHADHM O=c1cc(CN2CCC[C@H]2c2ccc[nH]2)nc(-c2ccccc2)[n-]1 ZINC000459360988 339024412 /nfs/dbraw/zinc/02/44/12/339024412.db2.gz VZPBIZNGVABPAB-KRWDZBQOSA-N -1 3 320.396 3.514 20 0 DHADHM [O-]c1cccc(CNC[C@H]2CCC(F)(F)C2)c1Br ZINC000459515809 339033658 /nfs/dbraw/zinc/03/36/58/339033658.db2.gz RMZQLGYSBCSMTJ-VIFPVBQESA-N -1 3 320.177 3.680 20 0 DHADHM [O-]c1cccc(CNCCC2CC(F)(F)C2)c1Br ZINC000459598734 339038180 /nfs/dbraw/zinc/03/81/80/339038180.db2.gz QBDOUBPUQGQKGC-UHFFFAOYSA-N -1 3 320.177 3.680 20 0 DHADHM CC[C@@H](C)[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000462887246 339096325 /nfs/dbraw/zinc/09/63/25/339096325.db2.gz AEOPHWHQMLNIAP-YGRLFVJLSA-N -1 3 315.808 3.579 20 0 DHADHM CC[C@H](C)[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000462887243 339096329 /nfs/dbraw/zinc/09/63/29/339096329.db2.gz AEOPHWHQMLNIAP-HZMBPMFUSA-N -1 3 315.808 3.579 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000468267006 339258087 /nfs/dbraw/zinc/25/80/87/339258087.db2.gz WJPFKLXNXKFWET-OAHLLOKOSA-N -1 3 317.820 3.735 20 0 DHADHM CCc1ccc([C@H](NCc2nc(CC)cc(=O)[n-]2)C(C)C)cc1 ZINC000468285520 339258918 /nfs/dbraw/zinc/25/89/18/339258918.db2.gz KPOSHUFMEMHCDU-LJQANCHMSA-N -1 3 313.445 3.794 20 0 DHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1 ZINC000468415857 339262539 /nfs/dbraw/zinc/26/25/39/339262539.db2.gz DLZXJPYXLVADMH-UHFFFAOYSA-N -1 3 315.388 3.787 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccccc1Cl ZINC000468551714 339266092 /nfs/dbraw/zinc/26/60/92/339266092.db2.gz FJRLPVMCZCTKBF-UHFFFAOYSA-N -1 3 321.779 3.824 20 0 DHADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000468956101 339275968 /nfs/dbraw/zinc/27/59/68/339275968.db2.gz LUUXDIQMUZUOEU-KGLIPLIRSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2c(F)cccc2F)c2c([O-])cccc21 ZINC000469340400 339286467 /nfs/dbraw/zinc/28/64/67/339286467.db2.gz UTCCLLJUIWNZJT-LLVKDONJSA-N -1 3 317.335 3.753 20 0 DHADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1(C)C ZINC000469567603 339293467 /nfs/dbraw/zinc/29/34/67/339293467.db2.gz UYVNOUHUFUKDJQ-CYBMUJFWSA-N -1 3 307.409 3.749 20 0 DHADHM CC(C)(C)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000471752783 339353061 /nfs/dbraw/zinc/35/30/61/339353061.db2.gz ZZYDUJHTUXWZRI-GFCCVEGCSA-N -1 3 304.415 3.756 20 0 DHADHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000472146707 339364337 /nfs/dbraw/zinc/36/43/37/339364337.db2.gz AUVIDIPBRCLNOY-HUUCEWRRSA-N -1 3 315.438 3.949 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000473132619 339381756 /nfs/dbraw/zinc/38/17/56/339381756.db2.gz NSQHVGAZLQKANR-HNNXBMFYSA-N -1 3 321.779 3.838 20 0 DHADHM O=C(NCc1ncccc1[O-])c1ccc(C2CCCCC2)cc1 ZINC000473643506 339389354 /nfs/dbraw/zinc/38/93/54/339389354.db2.gz OUKRZZGBLBTBFO-UHFFFAOYSA-N -1 3 310.397 3.765 20 0 DHADHM CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000473645581 339389410 /nfs/dbraw/zinc/38/94/10/339389410.db2.gz VHPAQYZDEVOXFZ-OAHLLOKOSA-N -1 3 304.434 3.646 20 0 DHADHM O=c1ccnc(C(=Cc2cc(F)ccc2F)Cc2ccccc2)[n-]1 ZINC000477414380 339494351 /nfs/dbraw/zinc/49/43/51/339494351.db2.gz QNOIJDAQPKPAFM-PTNGSMBKSA-N -1 3 324.330 3.831 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1 ZINC000477992488 339506822 /nfs/dbraw/zinc/50/68/22/339506822.db2.gz VGPFTLDGRDEOII-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000478256817 339511787 /nfs/dbraw/zinc/51/17/87/339511787.db2.gz SPGLUKTUGXMYQW-YOEHRIQHSA-N -1 3 313.372 3.906 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1c2c(nc3ccccc31)CCC2 ZINC000478293815 339512736 /nfs/dbraw/zinc/51/27/36/339512736.db2.gz MQXMSCZMFOYHLN-UHFFFAOYSA-N -1 3 322.339 3.821 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2Cl)o1 ZINC000479150632 339528237 /nfs/dbraw/zinc/52/82/37/339528237.db2.gz AEXQBCIGAMDCQB-UHFFFAOYSA-N -1 3 324.160 3.835 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC2CCC1CC2 ZINC000483414325 339664412 /nfs/dbraw/zinc/66/44/12/339664412.db2.gz HXMBPXQWFPKQRL-XUJLQICISA-N -1 3 305.393 3.549 20 0 DHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1SC ZINC000486076379 339720327 /nfs/dbraw/zinc/72/03/27/339720327.db2.gz LCOFMSLLQRUOQI-CLTKARDFSA-N -1 3 314.410 3.961 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C)Cc2ccc(C)s2)ccc1[O-] ZINC000486427824 339726989 /nfs/dbraw/zinc/72/69/89/339726989.db2.gz JOFSWHFXGYTZOU-NSHDSACASA-N -1 3 303.427 3.686 20 0 DHADHM O=S(=O)([N-][C@H]1CCC[C@H](c2ccccc2)C1)c1cccs1 ZINC000486697036 339731576 /nfs/dbraw/zinc/73/15/76/339731576.db2.gz RQQFJGWBIQVDEZ-GJZGRUSLSA-N -1 3 321.467 3.753 20 0 DHADHM CCc1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)ccc1[O-] ZINC000490211457 339828908 /nfs/dbraw/zinc/82/89/08/339828908.db2.gz GNSCCGYXSYFGMA-UHFFFAOYSA-N -1 3 319.351 3.996 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)ccc1[O-] ZINC000490305278 339830273 /nfs/dbraw/zinc/83/02/73/339830273.db2.gz GNLRQJKQSVHRML-UHFFFAOYSA-N -1 3 309.365 3.936 20 0 DHADHM CCc1nc(C(C)C)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000490648277 339836388 /nfs/dbraw/zinc/83/63/88/339836388.db2.gz FUQPWCKTMXNIOB-UHFFFAOYSA-N -1 3 302.349 3.864 20 0 DHADHM Cc1ccc(C[C@H](C)C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000490862428 339842225 /nfs/dbraw/zinc/84/22/25/339842225.db2.gz NONAPFRDTPZVJV-HNNXBMFYSA-N -1 3 309.409 3.859 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1[O-] ZINC000499993856 340048313 /nfs/dbraw/zinc/04/83/13/340048313.db2.gz WKDMIWSMVYGNJT-OAHLLOKOSA-N -1 3 315.800 3.984 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC000500050245 340049300 /nfs/dbraw/zinc/04/93/00/340049300.db2.gz BYKZDVAQYSMINE-GIPNMCIBSA-N -1 3 319.829 3.582 20 0 DHADHM CCCC(C)(C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500425969 340058249 /nfs/dbraw/zinc/05/82/49/340058249.db2.gz YBPFOLWWQHYGDP-UHFFFAOYSA-N -1 3 324.471 3.667 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC(CC(F)(F)F)CC2)c1 ZINC000501449537 340081186 /nfs/dbraw/zinc/08/11/86/340081186.db2.gz UEDULBCCHCSBQE-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(C)c1 ZINC000501805386 340089210 /nfs/dbraw/zinc/08/92/10/340089210.db2.gz XBDJBRAUNLRSCJ-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)c(C)c1 ZINC000501842611 340089644 /nfs/dbraw/zinc/08/96/44/340089644.db2.gz PLYRUSHGDGNYHB-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1OC1CC1 ZINC000502523115 340106852 /nfs/dbraw/zinc/10/68/52/340106852.db2.gz VGWPGNYXKRPEFR-UHFFFAOYSA-N -1 3 303.745 3.839 20 0 DHADHM CCCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000503838571 340134989 /nfs/dbraw/zinc/13/49/89/340134989.db2.gz FRPRSEASTYSNQO-UHFFFAOYSA-N -1 3 318.295 3.904 20 0 DHADHM COc1ccc(NC(=O)c2ccc3ccc(OC)cc3c2)c([O-])c1 ZINC000504900233 340155265 /nfs/dbraw/zinc/15/52/65/340155265.db2.gz UKOCYZABDAVQON-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM C[C@H]1C[C@]1(NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000505759809 340176942 /nfs/dbraw/zinc/17/69/42/340176942.db2.gz GPEVELHTGBYTGO-APPDUMDISA-N -1 3 301.773 3.711 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cn3ccnc3s2)c([O-])c1 ZINC000506228987 340189194 /nfs/dbraw/zinc/18/91/94/340189194.db2.gz XSJDCOQEMRUEHB-UHFFFAOYSA-N -1 3 315.398 3.651 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000506744840 340200615 /nfs/dbraw/zinc/20/06/15/340200615.db2.gz UPCDUSDUGNJHPE-AWEZNQCLSA-N -1 3 315.344 3.678 20 0 DHADHM CCN(Cc1ccc2c(c1)OCO2)Cc1cccc([O-])c1Cl ZINC000507020580 340205643 /nfs/dbraw/zinc/20/56/43/340205643.db2.gz KDCLWEPADGCHMI-UHFFFAOYSA-N -1 3 319.788 3.796 20 0 DHADHM C[C@H](CCCC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000507169343 340210611 /nfs/dbraw/zinc/21/06/11/340210611.db2.gz IVXSQTXHQNMUAV-MRVPVSSYSA-N -1 3 309.715 3.897 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(C)s1 ZINC000508087610 340238959 /nfs/dbraw/zinc/23/89/59/340238959.db2.gz WUFVDSBFSAVVCF-UHFFFAOYSA-N -1 3 323.430 3.611 20 0 DHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1C ZINC000508179737 340240154 /nfs/dbraw/zinc/24/01/54/340240154.db2.gz JGDFKLUAZPWSMS-UHFFFAOYSA-N -1 3 301.820 3.819 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1F ZINC000508502017 340244997 /nfs/dbraw/zinc/24/49/97/340244997.db2.gz IADXJVONJDNDRI-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H](c1cccs1)C1CC1 ZINC000508769149 340252904 /nfs/dbraw/zinc/25/29/04/340252904.db2.gz JVOGRKFBELYXBC-MRXNPFEDSA-N -1 3 321.829 3.917 20 0 DHADHM Cc1ccc([C@@H](C)CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508941997 340255996 /nfs/dbraw/zinc/25/59/96/340255996.db2.gz LKXRVUUPPYPIDH-ZDUSSCGKSA-N -1 3 317.816 3.816 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)Cc1ccc([O-])cc1Cl ZINC000509096897 340261173 /nfs/dbraw/zinc/26/11/73/340261173.db2.gz XPKRZERWFQJOAX-UHFFFAOYSA-N -1 3 323.742 3.779 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000509142525 340262242 /nfs/dbraw/zinc/26/22/42/340262242.db2.gz VWZVHEHHWYJEES-SGMGOOAPSA-N -1 3 307.821 3.673 20 0 DHADHM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccc([O-])c1 ZINC000509307757 340265802 /nfs/dbraw/zinc/26/58/02/340265802.db2.gz XAZOLFMTGFDOPB-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM COc1cccc(C(=O)Nc2nc3c(cccc3C)s2)c1[O-] ZINC000301998163 340266072 /nfs/dbraw/zinc/26/60/72/340266072.db2.gz PTCGWADHYJXKHD-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000509484119 340271059 /nfs/dbraw/zinc/27/10/59/340271059.db2.gz OPWHYJLHPRJJSH-INIZCTEOSA-N -1 3 311.381 3.847 20 0 DHADHM COc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1[O-] ZINC000509905444 340282445 /nfs/dbraw/zinc/28/24/45/340282445.db2.gz UEJVOERFEMLIRE-VHDGCEQUSA-N -1 3 305.418 3.591 20 0 DHADHM CCCOc1ccc(NC(=O)c2cccc(OC)c2[O-])c(C)c1 ZINC000302929094 340286825 /nfs/dbraw/zinc/28/68/25/340286825.db2.gz CDYAMIIAEUAQKF-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM Cc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1[O-] ZINC000302930211 340286953 /nfs/dbraw/zinc/28/69/53/340286953.db2.gz FAQHMZWOZASUEG-HNNXBMFYSA-N -1 3 313.397 3.598 20 0 DHADHM CN(CCCCNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000510093034 340288512 /nfs/dbraw/zinc/28/85/12/340288512.db2.gz FJJAKONTNXUAFT-UHFFFAOYSA-N -1 3 320.383 3.677 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000302954539 340289710 /nfs/dbraw/zinc/28/97/10/340289710.db2.gz NKKNRUWUSOQSQR-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000303133508 340303936 /nfs/dbraw/zinc/30/39/36/340303936.db2.gz BSAZJGRUAOJWQW-SNVBAGLBSA-N -1 3 307.818 3.582 20 0 DHADHM CCS[C@H]1CCC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000511556593 340330627 /nfs/dbraw/zinc/33/06/27/340330627.db2.gz RGRRWJQMYHWLQL-QWRGUYRKSA-N -1 3 301.402 3.824 20 0 DHADHM COc1ccc(C[C@@H](C)CNCc2c(F)ccc([O-])c2F)cc1 ZINC000511824037 340339265 /nfs/dbraw/zinc/33/92/65/340339265.db2.gz SFXQSSAMHZTXIP-GFCCVEGCSA-N -1 3 321.367 3.647 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000512031136 340345980 /nfs/dbraw/zinc/34/59/80/340345980.db2.gz NHXKETWZFAPLPU-BDAKNGLRSA-N -1 3 310.246 3.706 20 0 DHADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1c1ccccc1)c1cccs1 ZINC000512037436 340346234 /nfs/dbraw/zinc/34/62/34/340346234.db2.gz PYTKYXYFGCKMDU-CABCVRRESA-N -1 3 321.467 3.753 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000512446947 340362191 /nfs/dbraw/zinc/36/21/91/340362191.db2.gz PHOBGFYNXMYCAW-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM COCCN(Cc1cccc([O-])c1Cl)C[C@@H]1CC=CCC1 ZINC000513206562 340397049 /nfs/dbraw/zinc/39/70/49/340397049.db2.gz XTNUNZLKPAHAQZ-CQSZACIVSA-N -1 3 309.837 3.850 20 0 DHADHM CCCCSc1nnc(SCc2ncccc2[O-])s1 ZINC000517589197 340472948 /nfs/dbraw/zinc/47/29/48/340472948.db2.gz XGWIWLQGBVTQSV-UHFFFAOYSA-N -1 3 313.473 3.823 20 0 DHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1 ZINC000517723668 340476057 /nfs/dbraw/zinc/47/60/57/340476057.db2.gz LTAZZPRFZBLXIH-NWDGAFQWSA-N -1 3 319.829 3.632 20 0 DHADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183254259 340487250 /nfs/dbraw/zinc/48/72/50/340487250.db2.gz KCVWTZSZOYEJFM-OAHLLOKOSA-N -1 3 301.361 3.985 20 0 DHADHM CCOc1c(Cl)cccc1CC(=O)Nc1ccccc1[O-] ZINC000189221103 340530502 /nfs/dbraw/zinc/53/05/02/340530502.db2.gz OZZUXNMDJRQUKC-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cc(Cl)ccc1F ZINC000231110671 340621793 /nfs/dbraw/zinc/62/17/93/340621793.db2.gz VTABPEDVZZMNHF-QWRGUYRKSA-N -1 3 301.789 3.848 20 0 DHADHM CC(C)c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523467482 340625474 /nfs/dbraw/zinc/62/54/74/340625474.db2.gz ZIAKMJWIDUBOGJ-UHFFFAOYSA-N -1 3 316.376 3.654 20 0 DHADHM C[C@@H](CC(F)(F)F)NCc1cccc([O-])c1Br ZINC000315899944 340677335 /nfs/dbraw/zinc/67/73/35/340677335.db2.gz NSCWDWGOGUIVMM-ZETCQYMHSA-N -1 3 312.129 3.585 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000525020819 340687367 /nfs/dbraw/zinc/68/73/67/340687367.db2.gz OPEBKCXJEBRCGO-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C([C@H]1Cc2c1cccc2Cl)N1CCCc2cccc([O-])c21 ZINC000528938749 340740124 /nfs/dbraw/zinc/74/01/24/340740124.db2.gz QMEQBUPQHSWVSX-AWEZNQCLSA-N -1 3 313.784 3.665 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)c2c([O-])cccc21 ZINC000529053311 340743727 /nfs/dbraw/zinc/74/37/27/340743727.db2.gz DUGQQHFQJKCODR-TZMCWYRMSA-N -1 3 317.429 3.826 20 0 DHADHM C[C@H]1CCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)c2c([O-])cccc21 ZINC000529053263 340743734 /nfs/dbraw/zinc/74/37/34/340743734.db2.gz DUGQQHFQJKCODR-GXTWGEPZSA-N -1 3 317.429 3.826 20 0 DHADHM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(OC)c1 ZINC000529799254 340769628 /nfs/dbraw/zinc/76/96/28/340769628.db2.gz KHZCQGGPAOEARG-INIZCTEOSA-N -1 3 313.397 3.542 20 0 DHADHM COc1ccc(C(C)(C)NC(=O)c2ccc([O-])c(C)c2)cc1F ZINC000529849937 340771744 /nfs/dbraw/zinc/77/17/44/340771744.db2.gz LSOGAKSWWKDMHE-UHFFFAOYSA-N -1 3 317.360 3.513 20 0 DHADHM CCCc1c(C(=O)Nc2ccccc2[O-])cnn1C1CCCC1 ZINC000542327406 341005347 /nfs/dbraw/zinc/00/53/47/341005347.db2.gz GXTRBUMLVVNLBT-UHFFFAOYSA-N -1 3 313.401 3.909 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000543685844 341053659 /nfs/dbraw/zinc/05/36/59/341053659.db2.gz QIHPDPYRTQRZEK-GFCCVEGCSA-N -1 3 323.380 3.504 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000131020162 341056551 /nfs/dbraw/zinc/05/65/51/341056551.db2.gz XUQIREHYUHWVHF-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nc(-c2sccc2C)ns1 ZINC000131560758 341096780 /nfs/dbraw/zinc/09/67/80/341096780.db2.gz GDMWNOCZNJFYHG-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM Cc1cccnc1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000545023393 341104642 /nfs/dbraw/zinc/10/46/42/341104642.db2.gz XLUXZPHLWCAPGP-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1[O-] ZINC000545242651 341116823 /nfs/dbraw/zinc/11/68/23/341116823.db2.gz CXKQQOQFVIAYRF-ZDUSSCGKSA-N -1 3 321.376 3.675 20 0 DHADHM CC[C@@H](C)CN(C)Cc1ccc(OC)c([O-])c1Br ZINC000545550177 341129955 /nfs/dbraw/zinc/12/99/55/341129955.db2.gz UEAPVXJCKSDBNQ-SNVBAGLBSA-N -1 3 316.239 3.641 20 0 DHADHM CCc1nc(Cc2noc(-c3cccc(CC)c3[O-])n2)cs1 ZINC000545658882 341135155 /nfs/dbraw/zinc/13/51/55/341135155.db2.gz RAXLWPADUGYBKI-UHFFFAOYSA-N -1 3 315.398 3.614 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)COC3)c2c([O-])cccc21 ZINC000545953210 341148155 /nfs/dbraw/zinc/14/81/55/341148155.db2.gz XTWWIHXOYPRBRW-CYBMUJFWSA-N -1 3 323.392 3.505 20 0 DHADHM CCc1cccc(-c2nc(-c3ccccc3N(C)C)no2)c1[O-] ZINC000546287233 341161393 /nfs/dbraw/zinc/16/13/93/341161393.db2.gz JIVMFNCRSJPTQE-UHFFFAOYSA-N -1 3 309.369 3.738 20 0 DHADHM CCc1cccc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)c1[O-] ZINC000547141504 341197678 /nfs/dbraw/zinc/19/76/78/341197678.db2.gz ATFCYDAOSJSAOJ-UHFFFAOYSA-N -1 3 320.352 3.856 20 0 DHADHM C[C@@H](c1noc(-c2cc3c(cc2[O-])CCCC3)n1)c1ccncc1 ZINC000547218370 341201666 /nfs/dbraw/zinc/20/16/66/341201666.db2.gz FBBPDCDTQQGSNB-GFCCVEGCSA-N -1 3 321.380 3.868 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2F)c(C)c1 ZINC000547305097 341204380 /nfs/dbraw/zinc/20/43/80/341204380.db2.gz DKUNXJMZJHOMFB-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1[O-] ZINC000135244026 341234118 /nfs/dbraw/zinc/23/41/18/341234118.db2.gz LNNJONGDHBBKKN-UKRRQHHQSA-N -1 3 313.372 3.858 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000078243742 341238883 /nfs/dbraw/zinc/23/88/83/341238883.db2.gz JEERAMUXOJGMOI-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1[O-] ZINC000078439376 341242235 /nfs/dbraw/zinc/24/22/35/341242235.db2.gz PINRLZCQSHHGLQ-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM COc1ccccc1CN(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000079005716 341251975 /nfs/dbraw/zinc/25/19/75/341251975.db2.gz HTXOKKDTBVYSBT-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM COc1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1[O-] ZINC000081578212 341297924 /nfs/dbraw/zinc/29/79/24/341297924.db2.gz GYWGCLZQIPFALO-UHFFFAOYSA-N -1 3 323.392 3.873 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1occc1Br ZINC000081755208 341304723 /nfs/dbraw/zinc/30/47/23/341304723.db2.gz NUNVFGIBUSWXDE-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1cc[nH]c1C1CC1 ZINC000550599883 341319294 /nfs/dbraw/zinc/31/92/94/341319294.db2.gz ARXIQHRQBHHJDI-UHFFFAOYSA-N -1 3 321.174 3.613 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246372177 341345324 /nfs/dbraw/zinc/34/53/24/341345324.db2.gz QXKJXEQANMZOPO-IWIIMEHWSA-N -1 3 310.191 3.529 20 0 DHADHM Cc1cccc([C@H](C)CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000551040770 341330004 /nfs/dbraw/zinc/33/00/04/341330004.db2.gz ANPWSISRZFPTEU-GFCCVEGCSA-N -1 3 303.789 3.888 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccc(F)cc2O1 ZINC000551445782 341342028 /nfs/dbraw/zinc/34/20/28/341342028.db2.gz UAHKYYCKJLXRKU-SECBINFHSA-N -1 3 321.735 3.612 20 0 DHADHM Cc1ccc([C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC000552009769 341359912 /nfs/dbraw/zinc/35/99/12/341359912.db2.gz JEUDQWZMXZPMEL-CQSZACIVSA-N -1 3 303.352 3.968 20 0 DHADHM Cc1oc(C2CC2)nc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000552151570 341373857 /nfs/dbraw/zinc/37/38/57/341373857.db2.gz YIIVFDZEKRBSJF-SNVBAGLBSA-N -1 3 312.369 3.720 20 0 DHADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H]2CCCC[C@H]21 ZINC000248395355 341376455 /nfs/dbraw/zinc/37/64/55/341376455.db2.gz YSGSQCRQCGBPLD-DIOULYMOSA-N -1 3 307.821 3.625 20 0 DHADHM CN(C)c1cccc(CCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552435450 341393520 /nfs/dbraw/zinc/39/35/20/341393520.db2.gz HYWADOFHPZDXDI-UHFFFAOYSA-N -1 3 318.804 3.683 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000089392495 341404028 /nfs/dbraw/zinc/40/40/28/341404028.db2.gz UPGGFIDHPXWXSR-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM Cc1ccc(-c2csc([N-]c3ncnc4c3cnn4C)n2)cc1 ZINC000163093025 341492075 /nfs/dbraw/zinc/49/20/75/341492075.db2.gz BMAIGHYAKMRTRO-UHFFFAOYSA-N -1 3 322.397 3.539 20 0 DHADHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564546262 341503798 /nfs/dbraw/zinc/50/37/98/341503798.db2.gz UUYSQYKMQWHWEP-BLVKFPJESA-N -1 3 319.360 3.797 20 0 DHADHM CCOc1cc(-c2noc(C3CC4(CCC4)C3)n2)ccc1[O-] ZINC000564961446 341513905 /nfs/dbraw/zinc/51/39/05/341513905.db2.gz TZXJNNCXBFQYQV-UHFFFAOYSA-N -1 3 300.358 3.889 20 0 DHADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153636631 341576146 /nfs/dbraw/zinc/57/61/46/341576146.db2.gz WHBLYVFKFOSEKN-KGLIPLIRSA-N -1 3 317.772 3.796 20 0 DHADHM O=C(c1cc(F)c(F)cc1Cl)N1CCCc2cccc([O-])c21 ZINC000155564289 341609435 /nfs/dbraw/zinc/60/94/35/341609435.db2.gz HOXMNOMPXSWXAO-UHFFFAOYSA-N -1 3 323.726 3.917 20 0 DHADHM C[C@H](NCc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)C(=O)[O-] ZINC000576830597 341865365 /nfs/dbraw/zinc/86/53/65/341865365.db2.gz VUZRNLVHOCOAHY-UWVGGRQHSA-N -1 3 324.833 3.662 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000178326029 341951623 /nfs/dbraw/zinc/95/16/23/341951623.db2.gz WJKCYILNYQOZPB-NXEZZACHSA-N -1 3 307.271 3.552 20 0 DHADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ccnc(F)c1F ZINC000191376844 518594210 /nfs/dbraw/zinc/59/42/10/518594210.db2.gz FWEZMOPAAJFNBF-UHFFFAOYSA-N -1 3 324.352 3.902 20 0 DHADHM CC(C)N(C)c1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000339206333 519634834 /nfs/dbraw/zinc/63/48/34/519634834.db2.gz XVNMUZOJAZEWSL-UHFFFAOYSA-N -1 3 324.384 3.767 20 0 DHADHM CC(C)N(C)c1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000339206333 519634837 /nfs/dbraw/zinc/63/48/37/519634837.db2.gz XVNMUZOJAZEWSL-UHFFFAOYSA-N -1 3 324.384 3.767 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182468193 519926661 /nfs/dbraw/zinc/92/66/61/519926661.db2.gz UDQBDDQJKKOSRH-CYBMUJFWSA-N -1 3 323.396 3.814 20 0 DHADHM CCCCn1cc(CNCc2cccc([O-])c2Cl)c(C)n1 ZINC000339336933 521392329 /nfs/dbraw/zinc/39/23/29/521392329.db2.gz SCRQULVCMSPVNX-UHFFFAOYSA-N -1 3 307.825 3.640 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)C3CCC(C)CC3)ccc2[n-]1 ZINC000339428696 521606898 /nfs/dbraw/zinc/60/68/98/521606898.db2.gz UPAQOBJMNPLZDG-UHFFFAOYSA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)C3CCC(C)CC3)cc2[n-]1 ZINC000339428696 521606903 /nfs/dbraw/zinc/60/69/03/521606903.db2.gz UPAQOBJMNPLZDG-UHFFFAOYSA-N -1 3 315.417 3.612 20 0 DHADHM CCC(CC)n1ncc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000183037729 521647732 /nfs/dbraw/zinc/64/77/32/521647732.db2.gz PWMVDEJBSOWWDS-UHFFFAOYSA-N -1 3 301.390 3.819 20 0 DHADHM COC[C@@H]1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000265840982 522472228 /nfs/dbraw/zinc/47/22/28/522472228.db2.gz NYZPLSZJXLFJTB-CQSZACIVSA-N -1 3 319.445 3.748 20 0 DHADHM Cc1cccc(OCCCCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000162799323 524731976 /nfs/dbraw/zinc/73/19/76/524731976.db2.gz WLAYHVIPCCPGBO-UHFFFAOYSA-N -1 3 319.323 3.544 20 0 DHADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccco3)[n-]n2)C1 ZINC000104522804 524986149 /nfs/dbraw/zinc/98/61/49/524986149.db2.gz VVRTYOUHYQNBEZ-LBPRGKRZSA-N -1 3 307.353 3.509 20 0 DHADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccco3)n[n-]2)C1 ZINC000104522804 524986162 /nfs/dbraw/zinc/98/61/62/524986162.db2.gz VVRTYOUHYQNBEZ-LBPRGKRZSA-N -1 3 307.353 3.509 20 0 DHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265694084 525512459 /nfs/dbraw/zinc/51/24/59/525512459.db2.gz XBZIDWVWCVOORD-PBFPGSCMSA-N -1 3 310.397 3.734 20 0 DHADHM COc1cccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000365669809 525806718 /nfs/dbraw/zinc/80/67/18/525806718.db2.gz ANCKAPMHFDZEOE-CQSZACIVSA-N -1 3 317.772 3.641 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](c3cccs3)C[C@@H]2C)c([O-])c1 ZINC000371001123 526141730 /nfs/dbraw/zinc/14/17/30/526141730.db2.gz SANZZVRUMWDWMX-QWHCGFSZSA-N -1 3 301.411 3.780 20 0 DHADHM Cc1ccc2cccc(NC(=O)[N-]OCCC(F)(F)F)c2n1 ZINC000157343715 526237157 /nfs/dbraw/zinc/23/71/57/526237157.db2.gz WBJKXWBJCQFPOL-UHFFFAOYSA-N -1 3 313.279 3.549 20 0 DHADHM Cc1ccc2cccc(NC([O-])=NOCCC(F)(F)F)c2n1 ZINC000157343715 526237151 /nfs/dbraw/zinc/23/71/51/526237151.db2.gz WBJKXWBJCQFPOL-UHFFFAOYSA-N -1 3 313.279 3.549 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CCCN3c3ccccc3)n2)cc1 ZINC000365139446 526340380 /nfs/dbraw/zinc/34/03/80/526340380.db2.gz ZFNZAXOZSGWUFP-MRXNPFEDSA-N -1 3 307.353 3.784 20 0 DHADHM [O-]c1ccc(Br)c(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127412857 526341867 /nfs/dbraw/zinc/34/18/67/526341867.db2.gz RJWQSIQRIYMSEO-HNNXBMFYSA-N -1 3 321.218 3.820 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC(C2CCCC2)CC1 ZINC000364244821 526397810 /nfs/dbraw/zinc/39/78/10/526397810.db2.gz KOFOFNZJXKBGSF-UHFFFAOYSA-N -1 3 317.429 3.666 20 0 DHADHM c1c2ccccc2sc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181802271 526403156 /nfs/dbraw/zinc/40/31/56/526403156.db2.gz OXTJZXLTVDZNNO-LBPRGKRZSA-N -1 3 301.371 3.748 20 0 DHADHM O=C(c1ccccc1[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000364182523 526809453 /nfs/dbraw/zinc/80/94/53/526809453.db2.gz UOODUUARWGJSOU-UHFFFAOYSA-N -1 3 315.319 3.600 20 0 DHADHM O=C(Cc1c(Cl)cccc1Cl)[N-]OCCC(F)(F)F ZINC000162977916 527197953 /nfs/dbraw/zinc/19/79/53/527197953.db2.gz UYQQXLGHMRZQAH-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1cnc([C@H](C)O)s1 ZINC000283521807 535121238 /nfs/dbraw/zinc/12/12/38/535121238.db2.gz SMGCGVOHRKGLAE-JTQLQIEISA-N -1 3 322.455 3.949 20 0 DHADHM CC[C@H]([N-]c1nc(C(C)C)no1)c1ccc(OC)c(OC)c1 ZINC000286455541 535955279 /nfs/dbraw/zinc/95/52/79/535955279.db2.gz UMLDWLYIKHSYIN-LBPRGKRZSA-N -1 3 305.378 3.773 20 0 DHADHM COc1cc(C)cc(-c2nc([C@@H]3CCCCS3)no2)c1[O-] ZINC000273857264 536627484 /nfs/dbraw/zinc/62/74/84/536627484.db2.gz BYBKJFPLMFABNA-LBPRGKRZSA-N -1 3 306.387 3.717 20 0 DHADHM Cc1ccc2oc(SCc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000737380005 598861579 /nfs/dbraw/zinc/86/15/79/598861579.db2.gz JVKAXOGRCXQVGM-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Cc1ccc2oc(SCc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000737380005 598861580 /nfs/dbraw/zinc/86/15/80/598861580.db2.gz JVKAXOGRCXQVGM-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H](CC1CC1)c1ccccc1 ZINC000822744289 599053854 /nfs/dbraw/zinc/05/38/54/599053854.db2.gz PVXCIHAJIJORHH-KRWDZBQOSA-N -1 3 323.375 3.959 20 0 DHADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OCC1CCC1 ZINC000823737080 599124936 /nfs/dbraw/zinc/12/49/36/599124936.db2.gz AOFNSAQKBGSJFY-UHFFFAOYSA-N -1 3 306.369 3.713 20 0 DHADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1OCC1CCC1 ZINC000823737080 599124938 /nfs/dbraw/zinc/12/49/38/599124938.db2.gz AOFNSAQKBGSJFY-UHFFFAOYSA-N -1 3 306.369 3.713 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737319594 598240492 /nfs/dbraw/zinc/24/04/92/598240492.db2.gz FRSZKJLXPZHOKO-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cc(C)cc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737253029 598425944 /nfs/dbraw/zinc/42/59/44/598425944.db2.gz NXAZFSAWCGZMNX-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM C[C@H](SCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191889 599332828 /nfs/dbraw/zinc/33/28/28/599332828.db2.gz XMWFNECHEGLRJC-ZDUSSCGKSA-N -1 3 310.426 3.904 20 0 DHADHM C[C@H](SCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191889 599332831 /nfs/dbraw/zinc/33/28/31/599332831.db2.gz XMWFNECHEGLRJC-ZDUSSCGKSA-N -1 3 310.426 3.904 20 0 DHADHM C[C@H]1CCCC[C@@H]1OCCSc1ccccc1-c1nnn[n-]1 ZINC000820703272 599344562 /nfs/dbraw/zinc/34/45/62/599344562.db2.gz DMSMMDJUQWKGJJ-JSGCOSHPSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@H]1CCCC[C@@H]1OCCSc1ccccc1-c1nn[n-]n1 ZINC000820703272 599344564 /nfs/dbraw/zinc/34/45/64/599344564.db2.gz DMSMMDJUQWKGJJ-JSGCOSHPSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736139430 599394743 /nfs/dbraw/zinc/39/47/43/599394743.db2.gz QOVFDLQGADEVIS-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736139430 599394746 /nfs/dbraw/zinc/39/47/46/599394746.db2.gz QOVFDLQGADEVIS-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](CCC(C)(C)C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735986605 599442609 /nfs/dbraw/zinc/44/26/09/599442609.db2.gz SXDIPKQHMAOGKB-SECBINFHSA-N -1 3 308.817 3.542 20 0 DHADHM C[C@H](CCC(C)(C)C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735986605 599442611 /nfs/dbraw/zinc/44/26/11/599442611.db2.gz SXDIPKQHMAOGKB-SECBINFHSA-N -1 3 308.817 3.542 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c(C)c1 ZINC000822238476 599482444 /nfs/dbraw/zinc/48/24/44/599482444.db2.gz JHPOOXHBPKMTFP-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c(C)c1 ZINC000822238476 599482446 /nfs/dbraw/zinc/48/24/46/599482446.db2.gz JHPOOXHBPKMTFP-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM CC(C)(C)C[C@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819907041 599505319 /nfs/dbraw/zinc/50/53/19/599505319.db2.gz LKNPCRKTJXVHHC-LLVKDONJSA-N -1 3 321.375 3.550 20 0 DHADHM CC(C)(C)C[C@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819907041 599505321 /nfs/dbraw/zinc/50/53/21/599505321.db2.gz LKNPCRKTJXVHHC-LLVKDONJSA-N -1 3 321.375 3.550 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821950930 599562418 /nfs/dbraw/zinc/56/24/18/599562418.db2.gz SINMGXRDTWUWGU-ZJUUUORDSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821950930 599562420 /nfs/dbraw/zinc/56/24/20/599562420.db2.gz SINMGXRDTWUWGU-ZJUUUORDSA-N -1 3 323.853 3.606 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000740248679 599793886 /nfs/dbraw/zinc/79/38/86/599793886.db2.gz HOSHNUIBTLKIEZ-UHFFFAOYSA-N -1 3 321.323 3.636 20 0 DHADHM Cc1ccc(-c2nc(CNC3(C(=O)[O-])CCCCC3)cs2)o1 ZINC000738491376 600150342 /nfs/dbraw/zinc/15/03/42/600150342.db2.gz UVWAOZYIIVGXJR-UHFFFAOYSA-N -1 3 320.414 3.589 20 0 DHADHM Cc1oc(CN(CCc2cccc(F)c2)C2CC2)cc1C(=O)[O-] ZINC000573097484 600286439 /nfs/dbraw/zinc/28/64/39/600286439.db2.gz MZWJZPYONQCYHP-UHFFFAOYSA-N -1 3 317.360 3.632 20 0 DHADHM CCC[C@](C)(NCc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000314309892 600322165 /nfs/dbraw/zinc/32/21/65/600322165.db2.gz WNHPVHDDFSKXPS-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM Cc1cccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738708105 600326243 /nfs/dbraw/zinc/32/62/43/600326243.db2.gz HATZFWWICPEZPY-UHFFFAOYSA-N -1 3 319.351 3.750 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])cc1)CCC2 ZINC000263571401 600336082 /nfs/dbraw/zinc/33/60/82/600336082.db2.gz JIFUTJFPJKCDHJ-OAHLLOKOSA-N -1 3 316.426 3.659 20 0 DHADHM CN(Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737485990 600398202 /nfs/dbraw/zinc/39/82/02/600398202.db2.gz BAYVHHRKQBZEDA-OAHLLOKOSA-N -1 3 307.752 3.737 20 0 DHADHM O=C([O-])[C@H](NCc1csc2ccccc12)c1ccc(F)cc1 ZINC000739506255 600425055 /nfs/dbraw/zinc/42/50/55/600425055.db2.gz XEQJYNPBYWJZFW-MRXNPFEDSA-N -1 3 315.369 3.956 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000739508157 600428540 /nfs/dbraw/zinc/42/85/40/600428540.db2.gz MAMPGGWKAZXGLG-HOTGVXAUSA-N -1 3 319.763 3.882 20 0 DHADHM CC[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736921445 600452705 /nfs/dbraw/zinc/45/27/05/600452705.db2.gz ZPVCOMBOGROQMM-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM Clc1ccc(Cl)c(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822574119 607453114 /nfs/dbraw/zinc/45/31/14/607453114.db2.gz OPAQTYTVPXTCLA-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM Clc1ccc(Cl)c(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822574119 607453115 /nfs/dbraw/zinc/45/31/15/607453115.db2.gz OPAQTYTVPXTCLA-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832921887 600741868 /nfs/dbraw/zinc/74/18/68/600741868.db2.gz YBSOZICTHANVCG-SUMWQHHRSA-N -1 3 301.361 3.919 20 0 DHADHM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(C)C ZINC000578756650 600816682 /nfs/dbraw/zinc/81/66/82/600816682.db2.gz YTUYGJPGCCGKDP-UHFFFAOYSA-N -1 3 318.442 3.986 20 0 DHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566363218 600836323 /nfs/dbraw/zinc/83/63/23/600836323.db2.gz YFJNZBRCWRHSLO-XHDPSFHLSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccoc2C(=O)[O-])C1 ZINC000579483882 600839763 /nfs/dbraw/zinc/83/97/63/600839763.db2.gz CCSSTHBXWIWZKG-IAQYHMDHSA-N -1 3 303.333 3.700 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000262946180 600965501 /nfs/dbraw/zinc/96/55/01/600965501.db2.gz AHSUTSAAERYSLM-GFCCVEGCSA-N -1 3 318.442 3.905 20 0 DHADHM Cc1ccc(-c2nc(CNC(C)(C)CCC(=O)[O-])cs2)cc1 ZINC000832908291 601009925 /nfs/dbraw/zinc/00/99/25/601009925.db2.gz IHLMTULNOVPECN-UHFFFAOYSA-N -1 3 318.442 3.852 20 0 DHADHM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000828462239 601428939 /nfs/dbraw/zinc/42/89/39/601428939.db2.gz IMOUDSGRETVYHI-VXGBXAGGSA-N -1 3 316.426 3.596 20 0 DHADHM C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000828462236 601429001 /nfs/dbraw/zinc/42/90/01/601429001.db2.gz IMOUDSGRETVYHI-RYUDHWBXSA-N -1 3 316.426 3.596 20 0 DHADHM O=C([O-])c1sccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000577617939 601808489 /nfs/dbraw/zinc/80/84/89/601808489.db2.gz UETVPSOAQHPASD-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM CCN(Cc1ccsc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829734673 601829275 /nfs/dbraw/zinc/82/92/75/601829275.db2.gz KPRTURUBCYYXPS-LLVKDONJSA-N -1 3 305.399 3.735 20 0 DHADHM Cc1ccccc1CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832979798 601899835 /nfs/dbraw/zinc/89/98/35/601899835.db2.gz SEAXAEUWFCKRPX-INIZCTEOSA-N -1 3 323.314 3.670 20 0 DHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1 ZINC000652376252 601938014 /nfs/dbraw/zinc/93/80/14/601938014.db2.gz ALVBOGJBFMTJGL-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000827728238 604287859 /nfs/dbraw/zinc/28/78/59/604287859.db2.gz QDMRNHKGGOFDOI-UWVGGRQHSA-N -1 3 317.216 3.786 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@H](Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000832870561 604384422 /nfs/dbraw/zinc/38/44/22/604384422.db2.gz JZALIBHXWGMQAX-HIFRSBDPSA-N -1 3 314.385 3.534 20 0 DHADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263437918 604524307 /nfs/dbraw/zinc/52/43/07/604524307.db2.gz VHBZDNNBLANRSU-CQSZACIVSA-N -1 3 305.374 3.603 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CNC(c2ccccc2)c2ccccc2)O1 ZINC000833578513 604833518 /nfs/dbraw/zinc/83/35/18/604833518.db2.gz LHQYLEYTVXKVLE-KRWDZBQOSA-N -1 3 323.392 3.513 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000827718511 604994320 /nfs/dbraw/zinc/99/43/20/604994320.db2.gz UFZHFIVHSXJBHU-SUMWQHHRSA-N -1 3 312.413 3.856 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2CC(=O)[O-])[C@H](c2ccco2)C1 ZINC000833616374 605072662 /nfs/dbraw/zinc/07/26/62/605072662.db2.gz SLNBEQHYBPTBLP-PBHICJAKSA-N -1 3 313.397 3.880 20 0 DHADHM CCc1cnccc1[C@@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000833674866 605271154 /nfs/dbraw/zinc/27/11/54/605271154.db2.gz VHYLPKOCDQQPDS-SNVBAGLBSA-N -1 3 304.415 3.563 20 0 DHADHM O=C([O-])NC1CCC(N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000834166762 605569794 /nfs/dbraw/zinc/56/97/94/605569794.db2.gz ZDBLONIKCXBQCC-DQPZFDDXSA-N -1 3 314.385 3.537 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000834157588 605807810 /nfs/dbraw/zinc/80/78/10/605807810.db2.gz HPYXHPQVABSIBM-KZNAEPCWSA-N -1 3 323.396 3.576 20 0 DHADHM COc1ccc(CNc2cccc(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000821821445 606133100 /nfs/dbraw/zinc/13/31/00/606133100.db2.gz GMYVLMGIVKOVPX-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1ccc(CNc2cccc(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000821821445 606133102 /nfs/dbraw/zinc/13/31/02/606133102.db2.gz GMYVLMGIVKOVPX-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)s1 ZINC000822191686 606450572 /nfs/dbraw/zinc/45/05/72/606450572.db2.gz ODZQQGRWUQMXHY-VIFPVBQESA-N -1 3 317.393 3.857 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)s1 ZINC000822191686 606450574 /nfs/dbraw/zinc/45/05/74/606450574.db2.gz ODZQQGRWUQMXHY-VIFPVBQESA-N -1 3 317.393 3.857 20 0 DHADHM C[C@@H](Sc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820556190 606626385 /nfs/dbraw/zinc/62/63/85/606626385.db2.gz SRRWKXJDDDLTFB-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820556190 606626386 /nfs/dbraw/zinc/62/63/86/606626386.db2.gz SRRWKXJDDDLTFB-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM FC1(F)CCC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822737399 607131234 /nfs/dbraw/zinc/13/12/34/607131234.db2.gz UALIAUPJSWLHLU-MRVPVSSYSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822737399 607131236 /nfs/dbraw/zinc/13/12/36/607131236.db2.gz UALIAUPJSWLHLU-MRVPVSSYSA-N -1 3 313.739 3.510 20 0 DHADHM CC(C)CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820051740 607242163 /nfs/dbraw/zinc/24/21/63/607242163.db2.gz UYNZQPZZIVWPNT-UHFFFAOYSA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820051740 607242164 /nfs/dbraw/zinc/24/21/64/607242164.db2.gz UYNZQPZZIVWPNT-UHFFFAOYSA-N -1 3 321.812 3.531 20 0 DHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(Cl)c1 ZINC000825782733 607975234 /nfs/dbraw/zinc/97/52/34/607975234.db2.gz NHZKXVGRLPWFKM-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(Cl)c1 ZINC000825782733 607975235 /nfs/dbraw/zinc/97/52/35/607975235.db2.gz NHZKXVGRLPWFKM-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM CCOc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000825643059 609160283 /nfs/dbraw/zinc/16/02/83/609160283.db2.gz HDRCAYRXMIFONB-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000825643059 609160285 /nfs/dbraw/zinc/16/02/85/609160285.db2.gz HDRCAYRXMIFONB-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM FCc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826370372 609268384 /nfs/dbraw/zinc/26/83/84/609268384.db2.gz PHCGKKVLQHMJBW-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM FCc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826370372 609268385 /nfs/dbraw/zinc/26/83/85/609268385.db2.gz PHCGKKVLQHMJBW-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826289668 609272652 /nfs/dbraw/zinc/27/26/52/609272652.db2.gz IPIWLZWQOOVERG-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826289668 609272653 /nfs/dbraw/zinc/27/26/53/609272653.db2.gz IPIWLZWQOOVERG-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM CCc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000825700755 609314397 /nfs/dbraw/zinc/31/43/97/609314397.db2.gz REQGZJPTOMURDU-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000825700755 609314399 /nfs/dbraw/zinc/31/43/99/609314399.db2.gz REQGZJPTOMURDU-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826289676 609348663 /nfs/dbraw/zinc/34/86/63/609348663.db2.gz IYWOABCKKFHXMO-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289676 609348666 /nfs/dbraw/zinc/34/86/66/609348666.db2.gz IYWOABCKKFHXMO-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM C[C@H]1c2ccccc2CN1c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820825738 945560273 /nfs/dbraw/zinc/56/02/73/945560273.db2.gz CNFQUNZQUOXYEA-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM C[C@H]1c2ccccc2CN1c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820825738 945560280 /nfs/dbraw/zinc/56/02/80/945560280.db2.gz CNFQUNZQUOXYEA-JTQLQIEISA-N -1 3 311.776 3.601 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1nc(-c2ccccc2F)oc1C ZINC000078090749 1013071157 /nfs/dbraw/zinc/07/11/57/1013071157.db2.gz PCHCONFSLAGETC-UHFFFAOYSA-N -1 3 315.304 3.646 20 0 DHADHM Cc1cc(-c2cccc(-c3nnn[n-]3)c2)nc2cc(F)ccc12 ZINC000826242851 947720004 /nfs/dbraw/zinc/72/00/04/947720004.db2.gz JBRCQMKBIWPKEC-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1cc(-c2cccc(-c3nn[n-]n3)c2)nc2cc(F)ccc12 ZINC000826242851 947720010 /nfs/dbraw/zinc/72/00/10/947720010.db2.gz JBRCQMKBIWPKEC-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM c1cc(CCCSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826517668 948445240 /nfs/dbraw/zinc/44/52/40/948445240.db2.gz LBJXTKVMVKXTBK-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM c1cc(CCCSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826517668 948445242 /nfs/dbraw/zinc/44/52/42/948445242.db2.gz LBJXTKVMVKXTBK-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263380829 950423851 /nfs/dbraw/zinc/42/38/51/950423851.db2.gz BORCRAWRFJSBEV-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC001576216071 950723836 /nfs/dbraw/zinc/72/38/36/950723836.db2.gz YKZKENMOZWUAQI-GFCCVEGCSA-N -1 3 323.375 3.520 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC001576216071 950723856 /nfs/dbraw/zinc/72/38/56/950723856.db2.gz YKZKENMOZWUAQI-GFCCVEGCSA-N -1 3 323.375 3.520 20 0 DHADHM O=C([O-])CC1(NCc2ncc(Cl)cc2Cl)CCCCC1 ZINC001594984463 951008667 /nfs/dbraw/zinc/00/86/67/951008667.db2.gz DVHBSIWYOBECAR-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM C[C@@H](CSc1cc(-c2nnn[n-]2)ccn1)C1CCCCC1 ZINC001575185994 952436573 /nfs/dbraw/zinc/43/65/73/952436573.db2.gz XKXYTJYDLCMPTH-NSHDSACASA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H](CSc1cc(-c2nn[n-]n2)ccn1)C1CCCCC1 ZINC001575185994 952436577 /nfs/dbraw/zinc/43/65/77/952436577.db2.gz XKXYTJYDLCMPTH-NSHDSACASA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCc1cccc(Cl)c1Cl ZINC001589308526 953775040 /nfs/dbraw/zinc/77/50/40/953775040.db2.gz UXLVDQLGOSSGQN-JQWIXIFHSA-N -1 3 316.228 3.721 20 0 DHADHM O=C([O-])CN(Cc1cc(Cl)cc(Cl)c1F)C1CCC1 ZINC000635019769 953873699 /nfs/dbraw/zinc/87/36/99/953873699.db2.gz XVYMPIBWHVFPAF-UHFFFAOYSA-N -1 3 306.164 3.572 20 0 DHADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)nc1 ZINC001589124412 956157793 /nfs/dbraw/zinc/15/77/93/956157793.db2.gz XFRPOUCWOJVKPJ-NZVBXONLSA-N -1 3 316.788 3.699 20 0 DHADHM C[C@@](NCc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001589131131 956190493 /nfs/dbraw/zinc/19/04/93/956190493.db2.gz BOQWPDJKCSAPOV-INIZCTEOSA-N -1 3 307.752 3.569 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1=Cc2cc(F)ccc2OC1 ZINC000535632823 1013165692 /nfs/dbraw/zinc/16/56/92/1013165692.db2.gz UTLXZTCQFVIVPO-UHFFFAOYSA-N -1 3 319.719 3.599 20 0 DHADHM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccnc(Cl)c1 ZINC001603242272 972390290 /nfs/dbraw/zinc/39/02/90/972390290.db2.gz BNLULIBDYMLQAP-NZVBXONLSA-N -1 3 316.788 3.699 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161401895 959182168 /nfs/dbraw/zinc/18/21/68/959182168.db2.gz PDSQBNDLCYILIN-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161402037 959182252 /nfs/dbraw/zinc/18/22/52/959182252.db2.gz PDSQBNDLCYILIN-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM Cc1nc(C(C)C)ccc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594449749 959356288 /nfs/dbraw/zinc/35/62/88/959356288.db2.gz KHSHNFFHTCVPCR-LJQANCHMSA-N -1 3 312.413 3.603 20 0 DHADHM Cc1nc(C(C)C)ccc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594449748 959356596 /nfs/dbraw/zinc/35/65/96/959356596.db2.gz KHSHNFFHTCVPCR-IBGZPJMESA-N -1 3 312.413 3.603 20 0 DHADHM O=C([O-])c1ccc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001231458880 960612375 /nfs/dbraw/zinc/61/23/75/960612375.db2.gz OPHNINSVRCLHAR-AWEZNQCLSA-N -1 3 317.335 3.653 20 0 DHADHM O=C([O-])[C@H](c1ccccc1Cl)N1CCC(c2ccco2)CC1 ZINC001261578553 960747560 /nfs/dbraw/zinc/74/75/60/960747560.db2.gz IAIXZJMLKAHPIC-INIZCTEOSA-N -1 3 319.788 3.938 20 0 DHADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c(C)n1 ZINC000518943725 1013251327 /nfs/dbraw/zinc/25/13/27/1013251327.db2.gz SZWMDCSWTLCDTL-UHFFFAOYSA-N -1 3 301.415 3.505 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccc(F)c2)CC1 ZINC000153633348 1013284332 /nfs/dbraw/zinc/28/43/32/1013284332.db2.gz NXOZKFMEYGDEPB-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC001574621319 962251946 /nfs/dbraw/zinc/25/19/46/962251946.db2.gz OCEKSTLNJBICSA-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM COc1cc(Cl)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001209908729 1013420092 /nfs/dbraw/zinc/42/00/92/1013420092.db2.gz KLOUFBWBSLWZPB-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ncc(C(=O)[O-])s1 ZINC000315278939 963874359 /nfs/dbraw/zinc/87/43/59/963874359.db2.gz FQISKSKLVMBQRX-AFPNSQJFSA-N -1 3 322.352 3.613 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1Cl ZINC000426767805 1013502995 /nfs/dbraw/zinc/50/29/95/1013502995.db2.gz QVBBFAQHRXOLSY-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM CC1(C)[C@@H]2CN([C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000579119391 1013642124 /nfs/dbraw/zinc/64/21/24/1013642124.db2.gz OBMVEWHBGIGYFC-CWSCBRNRSA-N -1 3 314.212 3.707 20 0 DHADHM O=C(/C=C\c1ccnc2ccccc12)Nc1cc(F)ccc1[O-] ZINC000255086867 1013662484 /nfs/dbraw/zinc/66/24/84/1013662484.db2.gz LFNWTMKEOWHJBB-YVMONPNESA-N -1 3 308.312 3.731 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Cl ZINC000033619548 1013741223 /nfs/dbraw/zinc/74/12/23/1013741223.db2.gz ZSIWEXUWDXBGFI-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785471 1013841432 /nfs/dbraw/zinc/84/14/32/1013841432.db2.gz UDNJMXWFNJEDSA-GXSJLCMTSA-N -1 3 317.307 3.555 20 0 DHADHM CCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C2)c([O-])c1 ZINC000188711075 1013892732 /nfs/dbraw/zinc/89/27/32/1013892732.db2.gz JDCKCYQECQLXLG-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM CSc1nnc([N-]c2cc3cc(F)ccc3o2)c(SC)n1 ZINC001210724772 1014006144 /nfs/dbraw/zinc/00/61/44/1014006144.db2.gz JKLYUVNHESKWIJ-UHFFFAOYSA-N -1 3 322.390 3.944 20 0 DHADHM CC[C@@H]1CCC[C@@H](CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000394528977 972717661 /nfs/dbraw/zinc/71/76/61/972717661.db2.gz VZRZSULVNGQRQW-RKVPGOIHSA-N -1 3 301.430 3.887 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2ccc(O)cc2[O-])CC12CCCCC2 ZINC000655323374 1014067815 /nfs/dbraw/zinc/06/78/15/1014067815.db2.gz QUPHCSFAXCHWCK-MRXNPFEDSA-N -1 3 303.402 3.529 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2nccc3ccccc32)c2ccccc21 ZINC001605982920 973017827 /nfs/dbraw/zinc/01/78/27/973017827.db2.gz FMMFQTNEPIMMRW-ROUUACIJSA-N -1 3 318.376 3.638 20 0 DHADHM Cn1cc(/C=C\C(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000255376421 1014085161 /nfs/dbraw/zinc/08/51/61/1014085161.db2.gz VKYVSFFNOQIXMK-KTKRTIGZSA-N -1 3 310.328 3.675 20 0 DHADHM Cn1c2ccccc2c2cc(C(=O)Nc3ncccc3[O-])sc21 ZINC000022261761 1014102666 /nfs/dbraw/zinc/10/26/66/1014102666.db2.gz WRSITSSGACXSJO-UHFFFAOYSA-N -1 3 323.377 3.746 20 0 DHADHM O=C(Cc1coc2cc(Cl)ccc12)[N-]OCCC(F)(F)F ZINC000860993727 1033553521 /nfs/dbraw/zinc/55/35/21/1033553521.db2.gz DJBDWPLSMNVCGX-UHFFFAOYSA-N -1 3 321.682 3.629 20 0 DHADHM O=C([O-])CC[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000562800080 974509371 /nfs/dbraw/zinc/50/93/71/974509371.db2.gz NCWKELJZBFCZAR-OAHLLOKOSA-N -1 3 316.426 3.716 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000579848388 974884438 /nfs/dbraw/zinc/88/44/38/974884438.db2.gz ZWWIJHGTRMWBMK-GFCCVEGCSA-N -1 3 319.323 3.703 20 0 DHADHM Cc1ccc(CCCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000652470121 975542863 /nfs/dbraw/zinc/54/28/63/975542863.db2.gz OGEQFMQYXIVAJG-IBGZPJMESA-N -1 3 309.409 3.612 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cnc3ccccc3c2)[C@@H]2CCCC[C@@H]12 ZINC000656766334 975699119 /nfs/dbraw/zinc/69/91/19/975699119.db2.gz OOAFWMPFMOMKQG-YQVWRLOYSA-N -1 3 324.424 3.700 20 0 DHADHM O=C([O-])[C@@H]1CN(CC[C@H]2CCc3ccccc32)Cc2ccccc21 ZINC000659788702 975875114 /nfs/dbraw/zinc/87/51/14/975875114.db2.gz MFJSRJAQRWZUQF-OXQOHEQNSA-N -1 3 321.420 3.791 20 0 DHADHM CC(C)Oc1cccc(CNCc2cc(C(=O)[O-])cs2)c1 ZINC001591796643 976009038 /nfs/dbraw/zinc/00/90/38/976009038.db2.gz NVLJKKUKGRBEQW-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM CC(C)c1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001591912392 976344510 /nfs/dbraw/zinc/34/45/10/976344510.db2.gz LWEBGGFQMHGZFI-ZIAGYGMSSA-N -1 3 304.434 3.848 20 0 DHADHM C/C(=C/CN1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000825733865 978941083 /nfs/dbraw/zinc/94/10/83/978941083.db2.gz GHGPLFKLTOPVOS-SDQBBNPISA-N -1 3 316.426 3.507 20 0 DHADHM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)cnc1Cl ZINC000841805521 979313958 /nfs/dbraw/zinc/31/39/58/979313958.db2.gz ONMODTBFIXGIRR-OAHLLOKOSA-N -1 3 318.804 3.739 20 0 DHADHM CCC(CC)(CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001595079486 979364045 /nfs/dbraw/zinc/36/40/45/979364045.db2.gz PGTTUJBRJPKTAQ-UHFFFAOYSA-N -1 3 305.752 3.599 20 0 DHADHM CCN(C/C=C(/C)C(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000846242446 979419925 /nfs/dbraw/zinc/41/99/25/979419925.db2.gz ZDCUBSLKJKGHRI-POHAHGRESA-N -1 3 302.201 3.846 20 0 DHADHM O=C([O-])Cc1ccccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000846242170 979420235 /nfs/dbraw/zinc/42/02/35/979420235.db2.gz WZCSXYKTLHQFGP-GOSISDBHSA-N -1 3 313.372 3.790 20 0 DHADHM C[C@H](CSC(C)(C)C)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592823122 979533253 /nfs/dbraw/zinc/53/32/53/979533253.db2.gz XZBKEFGSUJAHBA-LLVKDONJSA-N -1 3 322.474 3.667 20 0 DHADHM CCOC(C)(C)CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000859797323 979633682 /nfs/dbraw/zinc/63/36/82/979633682.db2.gz VXOLKIHHEGWEGU-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000859804860 979635891 /nfs/dbraw/zinc/63/58/91/979635891.db2.gz VEXSAEMRZVZFKL-OAHLLOKOSA-N -1 3 303.358 3.570 20 0 DHADHM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@]1(C)C(=O)[O-] ZINC000581196151 1014610815 /nfs/dbraw/zinc/61/08/15/1014610815.db2.gz LAEGGTKBQIVKDV-OTYXRUKQSA-N -1 3 302.201 3.536 20 0 DHADHM O=C(CCc1nc2ccccc2o1)Nc1cc(Cl)ccc1[O-] ZINC000520974776 1014620323 /nfs/dbraw/zinc/62/03/23/1014620323.db2.gz JZDIFNXXWYFRNQ-UHFFFAOYSA-N -1 3 316.744 3.758 20 0 DHADHM Cc1cc([C@@H](C)N(C)Cc2ccc3cc[nH]c3c2)oc1C(=O)[O-] ZINC000872165676 980060397 /nfs/dbraw/zinc/06/03/97/980060397.db2.gz JBYUDVJGRWKGKY-GFCCVEGCSA-N -1 3 312.369 3.961 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000874054719 980170350 /nfs/dbraw/zinc/17/03/50/980170350.db2.gz IOSMRQJQBFFENI-SNVBAGLBSA-N -1 3 324.302 3.649 20 0 DHADHM CC(C)CCn1cccc1CNCc1cccc(C(=O)[O-])c1 ZINC000901571952 980387501 /nfs/dbraw/zinc/38/75/01/980387501.db2.gz BCROPGXDRLHPMT-UHFFFAOYSA-N -1 3 300.402 3.522 20 0 DHADHM O=C([O-])c1ccc2c(c1)CCN(CCc1cccc(Cl)c1)C2 ZINC000901668617 980435169 /nfs/dbraw/zinc/43/51/69/980435169.db2.gz GLGSNNKREYGYOL-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CC[C@](NCc1cnccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901873591 980587996 /nfs/dbraw/zinc/58/79/96/980587996.db2.gz SNKHTIMJZPAOSI-QGZVFWFLSA-N -1 3 318.804 3.523 20 0 DHADHM C[C@@H](N[C@@H](C)Cc1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC000901912741 980625164 /nfs/dbraw/zinc/62/51/64/980625164.db2.gz RKCJVZDHTDTFMP-VHSXEESVSA-N -1 3 324.833 3.777 20 0 DHADHM Cc1cc(C)c(/C=C\CN2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000901982240 980660994 /nfs/dbraw/zinc/66/09/94/980660994.db2.gz OWHPDFVOEQBJRG-CHYADLBTSA-N -1 3 319.470 3.517 20 0 DHADHM O=C([O-])c1ccc(CN2CCC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000902401563 980871053 /nfs/dbraw/zinc/87/10/53/980871053.db2.gz VZWSLLQVUGBSKY-UHFFFAOYSA-N -1 3 313.319 3.780 20 0 DHADHM Cc1cc(C)cc(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000903963332 981079098 /nfs/dbraw/zinc/07/90/98/981079098.db2.gz XIFRALSPGAVTFH-UHFFFAOYSA-N -1 3 313.397 3.974 20 0 DHADHM Cc1ccccc1[C@@H](NCc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000905726800 981125491 /nfs/dbraw/zinc/12/54/91/981125491.db2.gz ZRAHBAUWONYTNV-QGZVFWFLSA-N -1 3 312.413 3.965 20 0 DHADHM CCC[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001595601209 981587451 /nfs/dbraw/zinc/58/74/51/981587451.db2.gz XSVQYJOQSXHUPX-GJZGRUSLSA-N -1 3 313.401 3.547 20 0 DHADHM CC(C)c1cnc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)s1 ZINC000656568033 1014870047 /nfs/dbraw/zinc/87/00/47/1014870047.db2.gz PEMWIXIXLTZJQA-YPMHNXCESA-N -1 3 310.463 3.636 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccncc1 ZINC000656568395 1014877181 /nfs/dbraw/zinc/87/71/81/1014877181.db2.gz FVNIFWSUTWBHRU-GOSISDBHSA-N -1 3 310.397 3.655 20 0 DHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)c(C)c1 ZINC000656571375 1014881206 /nfs/dbraw/zinc/88/12/06/1014881206.db2.gz ALFVQKGDKKXJEC-MRXNPFEDSA-N -1 3 319.426 3.761 20 0 DHADHM CCCN(Cc1oncc1C(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595891444 982926011 /nfs/dbraw/zinc/92/60/11/982926011.db2.gz SJKOLXAFXPGGAM-OAHLLOKOSA-N -1 3 302.374 3.736 20 0 DHADHM Cc1cc(Cl)c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC000583510537 1014908060 /nfs/dbraw/zinc/90/80/60/1014908060.db2.gz UYGWZUOVNQJICH-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM CCCOc1ccc(CNCc2csc(C(=O)[O-])c2)c(C)c1 ZINC001595960831 983155445 /nfs/dbraw/zinc/15/54/45/983155445.db2.gz PFWXGWGVPLXZSW-UHFFFAOYSA-N -1 3 319.426 3.833 20 0 DHADHM CCCc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)s1 ZINC001596064488 983377390 /nfs/dbraw/zinc/37/73/90/983377390.db2.gz ILOSIHRJTIIXPC-QGZVFWFLSA-N -1 3 318.442 3.575 20 0 DHADHM CCCc1cccc(CN2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001596068451 983381525 /nfs/dbraw/zinc/38/15/25/983381525.db2.gz FDOYOLIRWDHMII-UHFFFAOYSA-N -1 3 309.409 3.896 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000029046168 1015100213 /nfs/dbraw/zinc/10/02/13/1015100213.db2.gz XCQLDEDDAGJQDL-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1c(C)cccc1C ZINC000656738480 1015106523 /nfs/dbraw/zinc/10/65/23/1015106523.db2.gz WPVXSUGTUFKVOJ-UHFFFAOYSA-N -1 3 318.442 3.511 20 0 DHADHM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc([O-])cc1 ZINC000026400579 1015129757 /nfs/dbraw/zinc/12/97/57/1015129757.db2.gz GODINDXBUYEAHY-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM CSc1nc(NC(=O)c2coc3ccc(C(C)C)cc32)n[n-]1 ZINC000341330805 1015201794 /nfs/dbraw/zinc/20/17/94/1015201794.db2.gz ZOEZKGAQVLXGMM-UHFFFAOYSA-N -1 3 316.386 3.649 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1c(O)cccc1Cl ZINC001215983534 1015222640 /nfs/dbraw/zinc/22/26/40/1015222640.db2.gz FJFQKGYKBZXSLO-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM CCSc1ccc([C@H](C)NCc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001597273217 987327464 /nfs/dbraw/zinc/32/74/64/987327464.db2.gz UENGIDQHJWKEEM-LBPRGKRZSA-N -1 3 318.442 3.686 20 0 DHADHM CCSc1ccccc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001597279944 987347085 /nfs/dbraw/zinc/34/70/85/987347085.db2.gz ORVNQLVBHRBREY-GOSISDBHSA-N -1 3 315.438 3.888 20 0 DHADHM CCc1[nH]c(CN2C[C@H](C)C[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383363 987582677 /nfs/dbraw/zinc/58/26/77/987582677.db2.gz DUNWFHVIEHLBOC-ACJLOTCBSA-N -1 3 312.413 3.858 20 0 DHADHM CCc1[nH]c(CN2CCC[C@H]2c2ccccc2C)cc1C(=O)[O-] ZINC001597386719 987607418 /nfs/dbraw/zinc/60/74/18/987607418.db2.gz NPEPPEVPHXFSAD-SFHVURJKSA-N -1 3 312.413 3.921 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001589732123 987954586 /nfs/dbraw/zinc/95/45/86/987954586.db2.gz GCPWDECQUQIHCX-CYBMUJFWSA-N -1 3 315.417 3.519 20 0 DHADHM CSCc1cccc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599803097 988210663 /nfs/dbraw/zinc/21/06/63/988210663.db2.gz JNFNEWYJBWFUEY-UHFFFAOYSA-N -1 3 319.401 3.677 20 0 DHADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(F)ccc1F ZINC000243051698 1015506772 /nfs/dbraw/zinc/50/67/72/1015506772.db2.gz IFGLSDIJDDKVHA-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1(F)CC1 ZINC000843584924 1015577030 /nfs/dbraw/zinc/57/70/30/1015577030.db2.gz GJPUWOXVOPSITJ-VIFPVBQESA-N -1 3 313.653 3.701 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1Cl ZINC000581952987 1015583752 /nfs/dbraw/zinc/58/37/52/1015583752.db2.gz BFLMCQACTJAFBE-RISCZKNCSA-N -1 3 311.809 3.970 20 0 DHADHM [O-]c1ccc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc1F ZINC000891762164 1015598267 /nfs/dbraw/zinc/59/82/67/1015598267.db2.gz MVYOLPDUCYIRGJ-CQSZACIVSA-N -1 3 317.364 3.519 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N(Cc2ncc(Br)cc2[O-])C1 ZINC001204776499 1015624414 /nfs/dbraw/zinc/62/44/14/1015624414.db2.gz OQOGMMLWZQWXKW-GHMZBOCLSA-N -1 3 313.239 3.560 20 0 DHADHM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598537462 992856929 /nfs/dbraw/zinc/85/69/29/992856929.db2.gz ZWAWCFUDVLKQLN-UKRRQHHQSA-N -1 3 316.426 3.609 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1cccc2ccccc21 ZINC000158042034 1015790038 /nfs/dbraw/zinc/79/00/38/1015790038.db2.gz ZDJWGGGBVHAFAH-UHFFFAOYSA-N -1 3 324.355 3.684 20 0 DHADHM Cc1cc(O[C@H](C)C(=O)Nc2ncccc2[O-])ccc1C(C)C ZINC000341891489 1015825097 /nfs/dbraw/zinc/82/50/97/1015825097.db2.gz YKORXRFFJACOAN-CYBMUJFWSA-N -1 3 314.385 3.625 20 0 DHADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ncccc3[O-])c2c1 ZINC000341897407 1015839621 /nfs/dbraw/zinc/83/96/21/1015839621.db2.gz BTGUEMBCNCOBFJ-UHFFFAOYSA-N -1 3 319.364 3.774 20 0 DHADHM C[C@H](N[C@@H](c1cccs1)C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593210829 994255548 /nfs/dbraw/zinc/25/55/48/994255548.db2.gz SATXILYYULFQKE-ZUZCIYMTSA-N -1 3 302.399 3.643 20 0 DHADHM C[C@@H](NCC[C@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593265397 994572977 /nfs/dbraw/zinc/57/29/77/994572977.db2.gz SJEVJXUFPADYCH-DGCLKSJQSA-N -1 3 316.426 3.612 20 0 DHADHM COc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599657300 994601802 /nfs/dbraw/zinc/60/18/02/994601802.db2.gz MLLWFJMNYORCAW-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM COc1cccc(CN[C@H](C)c2cc(C(=O)[O-])cs2)c1C ZINC001599674453 994872463 /nfs/dbraw/zinc/87/24/63/994872463.db2.gz OWCVQFPIPZBTDZ-LLVKDONJSA-N -1 3 305.399 3.614 20 0 DHADHM C[C@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593360637 995025191 /nfs/dbraw/zinc/02/51/91/995025191.db2.gz WTUWJJLTQNKJRZ-GAFUQQFSSA-N -1 3 320.389 3.577 20 0 DHADHM CCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000458329202 1015985002 /nfs/dbraw/zinc/98/50/02/1015985002.db2.gz LJGOCPIKNPLMFX-MRXNPFEDSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@@H](Oc1ccccc1CN1CC=C(C(C)(C)C)CC1)C(=O)[O-] ZINC001593645456 995974391 /nfs/dbraw/zinc/97/43/91/995974391.db2.gz SAMCMJIPRZNFHB-CQSZACIVSA-N -1 3 317.429 3.717 20 0 DHADHM C[C@H](c1ccncc1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593723100 996254239 /nfs/dbraw/zinc/25/42/39/996254239.db2.gz IUPRWMRTUPYESE-CYBMUJFWSA-N -1 3 321.380 3.521 20 0 DHADHM CCC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000046017184 1032135829 /nfs/dbraw/zinc/13/58/29/1032135829.db2.gz HASPIOMUPSIGAK-QGZVFWFLSA-N -1 3 320.392 3.799 20 0 DHADHM CC1(C)CC(CNCc2ncc(C(=O)[O-])s2)CC(C)(C)C1 ZINC001593854701 996637606 /nfs/dbraw/zinc/63/76/06/996637606.db2.gz YGKPYUUKZJSXHN-UHFFFAOYSA-N -1 3 310.463 3.783 20 0 DHADHM CC1(C)CCC[C@@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593902995 996769510 /nfs/dbraw/zinc/76/95/10/996769510.db2.gz FFUVGZNFGHTXNL-HNNXBMFYSA-N -1 3 314.385 3.708 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN(C)C(C)(C)c1ccccc1 ZINC001599498051 997054592 /nfs/dbraw/zinc/05/45/92/997054592.db2.gz AWFQDINECQVAQF-UHFFFAOYSA-N -1 3 313.397 3.761 20 0 DHADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599510674 997291918 /nfs/dbraw/zinc/29/19/18/997291918.db2.gz SVESAGBFDUNWRP-MEDUHNTESA-N -1 3 319.788 3.825 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599510672 997292222 /nfs/dbraw/zinc/29/22/22/997292222.db2.gz SVESAGBFDUNWRP-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599557930 998127836 /nfs/dbraw/zinc/12/78/36/998127836.db2.gz HKOPJCYRBYMUKD-UHFFFAOYSA-N -1 3 319.788 3.679 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC001594411947 999537849 /nfs/dbraw/zinc/53/78/49/999537849.db2.gz CFHIUACBXFNUBN-LPWJVIDDSA-N -1 3 308.447 3.803 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC001594411946 999538153 /nfs/dbraw/zinc/53/81/53/999538153.db2.gz CFHIUACBXFNUBN-FVCCEPFGSA-N -1 3 308.447 3.803 20 0 DHADHM C[C@H]1CCN(Cc2cc3ccccc3nc2Cl)[C@@H](C(=O)[O-])C1 ZINC001594424598 999588798 /nfs/dbraw/zinc/58/87/98/999588798.db2.gz XJBIFPXNWJHURQ-XHDPSFHLSA-N -1 3 318.804 3.573 20 0 DHADHM CCC[C@H](C)CCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269157 1016340543 /nfs/dbraw/zinc/34/05/43/1016340543.db2.gz DUMDCWHTGGMDCL-UONOGXRCSA-N -1 3 307.438 3.544 20 0 DHADHM CCc1cccc(C(=O)N2CCc3c(Cl)cccc3C2)c1[O-] ZINC000622385248 1016384675 /nfs/dbraw/zinc/38/46/75/1016384675.db2.gz ITMTWJXNVDQJAU-UHFFFAOYSA-N -1 3 315.800 3.807 20 0 DHADHM C[C@H](NCc1ccco1)c1cc(Br)cc(F)c1[O-] ZINC000184843345 1016391393 /nfs/dbraw/zinc/39/13/93/1016391393.db2.gz QWXPKEJQUMDFNS-QMMMGPOBSA-N -1 3 314.154 3.738 20 0 DHADHM Cc1nc(CC(C)C)c(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000622438509 1016410545 /nfs/dbraw/zinc/41/05/45/1016410545.db2.gz CGXJOPKQITXHPZ-UHFFFAOYSA-N -1 3 304.415 3.916 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000346587636 1016458483 /nfs/dbraw/zinc/45/84/83/1016458483.db2.gz FIPJTJJHHGLQCM-MRVPVSSYSA-N -1 3 320.805 3.874 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(C1CCC1)C1CCC1 ZINC000346726789 1016519719 /nfs/dbraw/zinc/51/97/19/1016519719.db2.gz UKMQHCJHWNQCSK-UHFFFAOYSA-N -1 3 305.393 3.788 20 0 DHADHM CCc1cccc(C(=O)N2CCc3sc(Cl)cc3C2)c1[O-] ZINC000622736289 1016543526 /nfs/dbraw/zinc/54/35/26/1016543526.db2.gz XWONDTUQJPAWSC-UHFFFAOYSA-N -1 3 321.829 3.868 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000171420499 1016566076 /nfs/dbraw/zinc/56/60/76/1016566076.db2.gz JZRJTOONSFOHJH-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 ZINC000622751164 1016569877 /nfs/dbraw/zinc/56/98/77/1016569877.db2.gz ZUOIWOZTQPAHDI-MRXNPFEDSA-N -1 3 301.430 3.997 20 0 DHADHM CCC1(CC)CN(C(=O)c2cc([O-])ccc2Cl)CCS1 ZINC000346836110 1016597550 /nfs/dbraw/zinc/59/75/50/1016597550.db2.gz AHGSEFWOIASZMF-UHFFFAOYSA-N -1 3 313.850 3.793 20 0 DHADHM CSc1ccccc1[C@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000281763513 1016709583 /nfs/dbraw/zinc/70/95/83/1016709583.db2.gz RUOPBGCQAHJNOW-NWDGAFQWSA-N -1 3 303.431 3.624 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)s1 ZINC000277624085 1016791756 /nfs/dbraw/zinc/79/17/56/1016791756.db2.gz IUAMCIGVPFKOIB-SECBINFHSA-N -1 3 324.833 3.952 20 0 DHADHM Cc1ccc(-c2[nH]nc(NC(=O)c3cc(C)ccc3[O-])c2C)o1 ZINC000192469796 1016805600 /nfs/dbraw/zinc/80/56/00/1016805600.db2.gz KHJWHNYIRRBZOL-UHFFFAOYSA-N -1 3 311.341 3.553 20 0 DHADHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1C(F)(F)F ZINC000161325927 1016977151 /nfs/dbraw/zinc/97/71/51/1016977151.db2.gz GNPIUBOXFKOXCY-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1C(F)(F)F ZINC000161325927 1016977161 /nfs/dbraw/zinc/97/71/61/1016977161.db2.gz GNPIUBOXFKOXCY-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)C(F)F ZINC000847059869 1032194124 /nfs/dbraw/zinc/19/41/24/1032194124.db2.gz HPPMVGSQBVBIFX-NSHDSACASA-N -1 3 321.314 3.726 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)o1 ZINC001146543049 1032228623 /nfs/dbraw/zinc/22/86/23/1032228623.db2.gz NRJDYIYOGIGJRN-NHYWBVRUSA-N -1 3 303.333 3.585 20 0 DHADHM [O-]c1ccc(Br)c(CN2CCC3(CC3)CC2)c1F ZINC001238305715 1017070532 /nfs/dbraw/zinc/07/05/32/1017070532.db2.gz QONBOSWPEGWFMH-UHFFFAOYSA-N -1 3 314.198 3.670 20 0 DHADHM COc1c(C)cc(Cl)cc1NC(=O)c1cc(C)ccc1[O-] ZINC001147936563 1032353505 /nfs/dbraw/zinc/35/35/05/1032353505.db2.gz KBJLDRGKFWHOKK-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM COc1cccc(C(=O)Nc2cc(Cl)cc3[nH]ccc32)c1[O-] ZINC001148201976 1032377579 /nfs/dbraw/zinc/37/75/79/1032377579.db2.gz INRPHUDFRUJJEO-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)cc1[O-] ZINC001148504090 1032409279 /nfs/dbraw/zinc/40/92/79/1032409279.db2.gz GAFBFZUFITZCOS-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC001148603426 1032417155 /nfs/dbraw/zinc/41/71/55/1032417155.db2.gz KEJKHQANHQGCSK-LLVKDONJSA-N -1 3 307.440 3.575 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1[O-] ZINC001148668855 1032431740 /nfs/dbraw/zinc/43/17/40/1032431740.db2.gz LGXKUDVSYCMPRZ-SMDDNHRTSA-N -1 3 303.402 3.539 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)c3ccccc32)ccc1[O-] ZINC001148669079 1032432028 /nfs/dbraw/zinc/43/20/28/1032432028.db2.gz PRNUDBQKCXYHFW-DIFFPNOSSA-N -1 3 309.365 3.573 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cncc4ccccc43)no2)c1 ZINC000350567320 1017299337 /nfs/dbraw/zinc/29/93/37/1017299337.db2.gz MFICPWMSJRNWTM-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM c1cc2c(cccc2CNc2ccccc2-c2nnn[n-]2)s1 ZINC001171377950 1032546315 /nfs/dbraw/zinc/54/63/15/1032546315.db2.gz VDYNASMGXRSWRQ-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1cc2c(cccc2CNc2ccccc2-c2nn[n-]n2)s1 ZINC001171377950 1032546326 /nfs/dbraw/zinc/54/63/26/1032546326.db2.gz VDYNASMGXRSWRQ-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000049404284 1011894796 /nfs/dbraw/zinc/89/47/96/1011894796.db2.gz UZHXKEQWPJYCES-SBJJXXPASA-N -1 3 311.772 3.637 20 0 DHADHM N#Cc1ccc(F)c(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000097023819 1011991870 /nfs/dbraw/zinc/99/18/70/1011991870.db2.gz LNVKCXXBWNYDBD-UHFFFAOYSA-N -1 3 313.115 3.689 20 0 DHADHM Cc1cc2cc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])oc2cc1C ZINC000424425778 1012018648 /nfs/dbraw/zinc/01/86/48/1012018648.db2.gz ZOSGAVKMJSALMQ-DIFFPNOSSA-N -1 3 301.386 3.735 20 0 DHADHM C[C@H](CCCNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000683172024 1012239048 /nfs/dbraw/zinc/23/90/48/1012239048.db2.gz UEQGIAGOVFGCRY-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM O=C(OCCOc1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000011809383 1032617055 /nfs/dbraw/zinc/61/70/55/1032617055.db2.gz RJQJEVWHJMKRDO-UHFFFAOYSA-N -1 3 300.141 3.557 20 0 DHADHM Cc1oc(-c2cccs2)nc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108086281 1012384225 /nfs/dbraw/zinc/38/42/25/1012384225.db2.gz HMOVLZKGUKUYOE-NRFANRHFSA-N -1 3 319.407 3.725 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3c2cccc3Cl)c1 ZINC000537678165 1032634723 /nfs/dbraw/zinc/63/47/23/1032634723.db2.gz PGFWZDGPVZPEMH-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM Cc1nc(C)c(CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000515342478 1012603711 /nfs/dbraw/zinc/60/37/11/1012603711.db2.gz PXXNSXLBVUMNLF-UHFFFAOYSA-N -1 3 307.444 3.566 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000537687687 1032644533 /nfs/dbraw/zinc/64/45/33/1032644533.db2.gz POXMOYFQXBYXFD-MRXNPFEDSA-N -1 3 313.372 3.769 20 0 DHADHM Cc1ccccc1[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000339663380 1012739384 /nfs/dbraw/zinc/73/93/84/1012739384.db2.gz FFHPKGVJKMIFNA-ZDUSSCGKSA-N -1 3 315.800 3.984 20 0 DHADHM COc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c([O-])c1 ZINC000436655064 1012760099 /nfs/dbraw/zinc/76/00/99/1012760099.db2.gz BWMXFODPIGEWCI-SFHVURJKSA-N -1 3 323.348 3.513 20 0 DHADHM CCN(Cc1ccccc1Br)Cc1ncccc1[O-] ZINC000516995772 1012885337 /nfs/dbraw/zinc/88/53/37/1012885337.db2.gz FIOKZDDQTUHLMD-UHFFFAOYSA-N -1 3 321.218 3.572 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c1Cl ZINC000517088356 1012909424 /nfs/dbraw/zinc/90/94/24/1012909424.db2.gz UMDVWDRLDSTPQF-LDYMZIIASA-N -1 3 322.257 3.769 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2c(C)cccc2[O-])cc1 ZINC000623577790 1017121300 /nfs/dbraw/zinc/12/13/00/1017121300.db2.gz GEZOKDQRVIQICX-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM CCCCn1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000339007242 1032683664 /nfs/dbraw/zinc/68/36/64/1032683664.db2.gz ODUDGFISDZOJTE-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM COc1cc(-c2nc3ccc(F)cc3n2C)cc(Cl)c1[O-] ZINC000178975549 1017205025 /nfs/dbraw/zinc/20/50/25/1017205025.db2.gz QQGXITRBWQAQIQ-UHFFFAOYSA-N -1 3 306.724 3.747 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1cc2cc(F)ccc2o1 ZINC000117568222 1017224932 /nfs/dbraw/zinc/22/49/32/1017224932.db2.gz RDQKVQYQNBXBRZ-UHFFFAOYSA-N -1 3 303.318 3.553 20 0 DHADHM COc1cccc(F)c1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001167605066 1017239119 /nfs/dbraw/zinc/23/91/19/1017239119.db2.gz DJLCKOUYVGMBTG-UHFFFAOYSA-N -1 3 317.147 3.854 20 0 DHADHM CCc1ccc(CC)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000075547802 1017327028 /nfs/dbraw/zinc/32/70/28/1017327028.db2.gz OOMKPBPEXMUAQB-UHFFFAOYSA-N -1 3 320.392 3.905 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000614739179 1017329194 /nfs/dbraw/zinc/32/91/94/1017329194.db2.gz FQNCFHSSYGTYAR-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1cc(F)c([O-])c(F)c1 ZINC001213371124 1017345326 /nfs/dbraw/zinc/34/53/26/1017345326.db2.gz WOWSCDZLKWPZSL-UHFFFAOYSA-N -1 3 321.714 3.759 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1F ZINC000180020453 1017347455 /nfs/dbraw/zinc/34/74/55/1017347455.db2.gz GQZYLRIFBCBUEP-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180370077 1017429562 /nfs/dbraw/zinc/42/95/62/1017429562.db2.gz VDACHTDLXKHLHX-UHFFFAOYSA-N -1 3 302.733 3.889 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000614791750 1017458057 /nfs/dbraw/zinc/45/80/57/1017458057.db2.gz DVNLFBCYVHQTGA-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM CCN(CC)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000180928306 1017518880 /nfs/dbraw/zinc/51/88/80/1017518880.db2.gz CWPJEOQEECXWMZ-UHFFFAOYSA-N -1 3 302.349 3.630 20 0 DHADHM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3cnoc3)cc12 ZINC000623943105 1017599875 /nfs/dbraw/zinc/59/98/75/1017599875.db2.gz FWVJICRLPDEASJ-UHFFFAOYSA-N -1 3 324.365 3.636 20 0 DHADHM O=C(Nc1ncccc1[O-])c1[nH]c2ccc(Cl)cc2c1Cl ZINC000181001861 1017717565 /nfs/dbraw/zinc/71/75/65/1017717565.db2.gz JRUWNBVWQLHGSB-UHFFFAOYSA-N -1 3 322.151 3.828 20 0 DHADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc([O-])c1F ZINC000181726507 1017797219 /nfs/dbraw/zinc/79/72/19/1017797219.db2.gz XTRRWJPCIWKCMO-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OC(F)(F)F ZINC000182025383 1017852107 /nfs/dbraw/zinc/85/21/07/1017852107.db2.gz DEKUZNNBJFJPLQ-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1c(Cl)cccc1Cl)C2 ZINC000701480477 1018063644 /nfs/dbraw/zinc/06/36/44/1018063644.db2.gz QBMVGIFWRMUKBS-BMIGLBTASA-N -1 3 314.212 3.680 20 0 DHADHM Cc1ccccc1C(C)(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000458404438 1018112017 /nfs/dbraw/zinc/11/20/17/1018112017.db2.gz CYEXWHJEQUSTAB-UHFFFAOYSA-N -1 3 316.376 3.574 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(O)c1 ZINC000339427416 1018230147 /nfs/dbraw/zinc/23/01/47/1018230147.db2.gz ZFUHNQWBXVLDJN-GFCCVEGCSA-N -1 3 307.349 3.742 20 0 DHADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1Oc1cccnc1 ZINC000764442326 1018283024 /nfs/dbraw/zinc/28/30/24/1018283024.db2.gz OIFDKQBZKALWAU-ALCCZGGFSA-N -1 3 305.337 3.848 20 0 DHADHM CC(C)[C@H](O)[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000657748567 1018291956 /nfs/dbraw/zinc/29/19/56/1018291956.db2.gz UYNJTGYUZOJGLB-MSOLQXFVSA-N -1 3 319.832 3.893 20 0 DHADHM CC1=CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000382495501 1018325705 /nfs/dbraw/zinc/32/57/05/1018325705.db2.gz IWOKCCBJAFSEKL-UHFFFAOYSA-N -1 3 305.374 3.891 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc3c(c2)OCCCO3)n1 ZINC000155858262 1018362427 /nfs/dbraw/zinc/36/24/27/1018362427.db2.gz ZCCYEBXWRHPWDR-NSHDSACASA-N -1 3 318.398 3.505 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2oc3ccccc3c2Br)S1 ZINC000874929478 1032764726 /nfs/dbraw/zinc/76/47/26/1032764726.db2.gz DWLLNKCHDZXDII-WEVVVXLNSA-N -1 3 324.155 3.519 20 0 DHADHM C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc([O-])c1F ZINC000926920816 1032779670 /nfs/dbraw/zinc/77/96/70/1032779670.db2.gz SCAVJQAEBDTQIJ-VXGBXAGGSA-N -1 3 301.361 3.706 20 0 DHADHM C[C@@H]1CSCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000889925266 1018826292 /nfs/dbraw/zinc/82/62/92/1018826292.db2.gz YDPUAWRRLFRWCY-SNVBAGLBSA-N -1 3 307.440 3.575 20 0 DHADHM O=C([N-]Cc1ccccc1Cl)C(F)(F)c1ccccc1F ZINC000765519475 1018856330 /nfs/dbraw/zinc/85/63/30/1018856330.db2.gz ZMPYFOVENKYWQM-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM O=C(CC1=CCCCC1)NCc1ccc([O-])c(Br)c1 ZINC000151534411 1018900181 /nfs/dbraw/zinc/90/01/81/1018900181.db2.gz WMGHUKHYRWUOOF-UHFFFAOYSA-N -1 3 324.218 3.661 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccccn1)C1CC1 ZINC000471646808 1018912790 /nfs/dbraw/zinc/91/27/90/1018912790.db2.gz XLSUMGRTUCKRNN-UHFFFAOYSA-N -1 3 318.376 3.745 20 0 DHADHM COCc1ccccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471699361 1018921567 /nfs/dbraw/zinc/92/15/67/1018921567.db2.gz XNISOYLRECAJDD-UHFFFAOYSA-N -1 3 321.376 3.622 20 0 DHADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc([O-])c2ccccc2c1 ZINC000471716474 1018924788 /nfs/dbraw/zinc/92/47/88/1018924788.db2.gz VDSILAUHHLMFCL-UHFFFAOYSA-N -1 3 320.304 3.645 20 0 DHADHM CC(C)Oc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000315381120 1018939646 /nfs/dbraw/zinc/93/96/46/1018939646.db2.gz FTTOZAUXOKBUBB-OAHLLOKOSA-N -1 3 319.426 3.841 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000023547152 1018985225 /nfs/dbraw/zinc/98/52/25/1018985225.db2.gz UZLPJVJKBNTHMQ-JTQLQIEISA-N -1 3 309.287 3.902 20 0 DHADHM CCc1nc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000063112141 1019021489 /nfs/dbraw/zinc/02/14/89/1019021489.db2.gz AYSVHQQAARDRQS-UHFFFAOYSA-N -1 3 318.442 3.807 20 0 DHADHM CCc1cc2c(CSc3nccs3)cc(=O)oc2cc1[O-] ZINC000052914022 1019048956 /nfs/dbraw/zinc/04/89/56/1019048956.db2.gz YCZIZAVMHZFIDP-UHFFFAOYSA-N -1 3 319.407 3.810 20 0 DHADHM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cc([O-])c2ccccc2c1 ZINC000355008219 1019075433 /nfs/dbraw/zinc/07/54/33/1019075433.db2.gz UENUWXUEPOWCOD-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CC(C)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000413979596 1019085603 /nfs/dbraw/zinc/08/56/03/1019085603.db2.gz BOPAVEUIXFPBAK-AWEZNQCLSA-N -1 3 311.303 3.862 20 0 DHADHM CCCCc1nc(NC(=O)C[C@@H](C)CCC)c(C(=O)OCC)[n-]1 ZINC001127967066 1019101148 /nfs/dbraw/zinc/10/11/48/1019101148.db2.gz UKYBNNLOHXLBTR-LBPRGKRZSA-N -1 3 323.437 3.694 20 0 DHADHM O=C(CCc1ccc(Cl)cc1Cl)Nc1ncccc1[O-] ZINC000030516331 1019201542 /nfs/dbraw/zinc/20/15/42/1019201542.db2.gz JNZQNBNMQIQMRM-UHFFFAOYSA-N -1 3 311.168 3.665 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000626046571 1019268017 /nfs/dbraw/zinc/26/80/17/1019268017.db2.gz JENFUWVVJSELMN-MRXNPFEDSA-N -1 3 323.392 3.578 20 0 DHADHM Cc1ccccc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000075472667 1019321742 /nfs/dbraw/zinc/32/17/42/1019321742.db2.gz SPMGIGIYAVBMGH-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM C[C@@H](CCCC(C)(C)O)Nc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001168699983 1019347348 /nfs/dbraw/zinc/34/73/48/1019347348.db2.gz WSVDWGQFTYOXKF-QMMMGPOBSA-N -1 3 323.384 3.526 20 0 DHADHM COc1cccc(-n2nccc2Nc2cc(F)cc(F)c2[O-])c1 ZINC001212481711 1019426986 /nfs/dbraw/zinc/42/69/86/1019426986.db2.gz FVTFRVNREGXVNC-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM Cc1ccccc1-n1nccc1Nc1cc(F)cc(F)c1[O-] ZINC001212481753 1019427095 /nfs/dbraw/zinc/42/70/95/1019427095.db2.gz HSPHASOKPAEHPW-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM Cc1oc(CNCCOc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000902143236 1019442548 /nfs/dbraw/zinc/44/25/48/1019442548.db2.gz OTZXGDUAJZLIKF-UHFFFAOYSA-N -1 3 317.385 3.578 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1[O-] ZINC000094124577 1019611382 /nfs/dbraw/zinc/61/13/82/1019611382.db2.gz WAASGZPKJKDXRA-NSHDSACASA-N -1 3 318.442 3.861 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000107458055 1019625484 /nfs/dbraw/zinc/62/54/84/1019625484.db2.gz UIYGRWCNXCKHBX-VIFPVBQESA-N -1 3 307.868 3.649 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c([O-])c1 ZINC000060673949 1019714306 /nfs/dbraw/zinc/71/43/06/1019714306.db2.gz POTOQJYDYHJNSW-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM CC(C)c1ccc2nc(-c3cc(F)cc(F)c3)[n-]c(=O)c2c1 ZINC000060797362 1019720250 /nfs/dbraw/zinc/72/02/50/1019720250.db2.gz NBKGCWAVGUNHLH-UHFFFAOYSA-N -1 3 300.308 3.992 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC001119261842 1019735947 /nfs/dbraw/zinc/73/59/47/1019735947.db2.gz XATWZAOCVHFCSJ-UHFFFAOYSA-N -1 3 303.387 3.522 20 0 DHADHM Cc1ccc(CN(Cc2ccco2)Cc2ncccc2[O-])s1 ZINC000685411463 1019796016 /nfs/dbraw/zinc/79/60/16/1019796016.db2.gz IVDMZALQRHSASE-UHFFFAOYSA-N -1 3 314.410 3.953 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1c(F)ccnc1F ZINC001125730094 1019801298 /nfs/dbraw/zinc/80/12/98/1019801298.db2.gz NJRLNZYYNUJRCR-UHFFFAOYSA-N -1 3 320.192 3.770 20 0 DHADHM Cc1ccc(OCCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129221912 1019884888 /nfs/dbraw/zinc/88/48/88/1019884888.db2.gz KJCVSYQUQRJVSH-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM C[C@H](O)C(C)(C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000673442125 1019936518 /nfs/dbraw/zinc/93/65/18/1019936518.db2.gz FEHFKZIEZWMMSS-ZETCQYMHSA-N -1 3 316.188 3.615 20 0 DHADHM C[C@@H](O)C(C)(C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000673442123 1019937532 /nfs/dbraw/zinc/93/75/32/1019937532.db2.gz FEHFKZIEZWMMSS-SSDOTTSWSA-N -1 3 316.188 3.615 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1Cc2ccccc2S1 ZINC000067145520 1019972100 /nfs/dbraw/zinc/97/21/00/1019972100.db2.gz BESDFIXWXQMIDH-AWEZNQCLSA-N -1 3 305.786 3.701 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1sccc1SC(F)F ZINC000730487473 1019995439 /nfs/dbraw/zinc/99/54/39/1019995439.db2.gz UVQQKZNMZRUTAM-UHFFFAOYSA-N -1 3 304.343 3.920 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(Cl)s1 ZINC000732805810 1020286586 /nfs/dbraw/zinc/28/65/86/1020286586.db2.gz KENMJMKTMSZVHS-UHFFFAOYSA-N -1 3 309.818 3.972 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccnn1C1CCCC1 ZINC000655110444 1020311122 /nfs/dbraw/zinc/31/11/22/1020311122.db2.gz WYBFMZGJARKZRM-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM Cc1csc([C@@H]2CCCCN2C(=O)c2c(C)cccc2[O-])n1 ZINC000625195629 1020406511 /nfs/dbraw/zinc/40/65/11/1020406511.db2.gz SGEHSRZCNCLECL-ZDUSSCGKSA-N -1 3 316.426 3.833 20 0 DHADHM CC(=O)n1ncc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001212421254 1020416335 /nfs/dbraw/zinc/41/63/35/1020416335.db2.gz NGSBVLOZRKFVJO-UHFFFAOYSA-N -1 3 301.733 3.799 20 0 DHADHM Cc1cccc(CO[N-]C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC001168634512 1020443746 /nfs/dbraw/zinc/44/37/46/1020443746.db2.gz SELBPCOHVMQCHZ-HIFRSBDPSA-N -1 3 304.434 3.790 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1 ZINC000055616354 1020454369 /nfs/dbraw/zinc/45/43/69/1020454369.db2.gz QWHQOJFJZRLVBQ-UHFFFAOYSA-N -1 3 319.426 3.762 20 0 DHADHM CCCCc1ccc2nc([N-]C(=O)c3nonc3C)sc2c1 ZINC000733910617 1020527336 /nfs/dbraw/zinc/52/73/36/1020527336.db2.gz IEUXEQRPUJBNGO-UHFFFAOYSA-N -1 3 316.386 3.583 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OC)c2F)CC)n1 ZINC000195503784 1020566437 /nfs/dbraw/zinc/56/64/37/1020566437.db2.gz ZXZMWWGMGHVXOH-ZRDIBKRKSA-N -1 3 316.376 3.821 20 0 DHADHM Cc1csc(C2(NC(=O)c3c(C)cccc3[O-])CCCC2)n1 ZINC000625532364 1020570107 /nfs/dbraw/zinc/57/01/07/1020570107.db2.gz BYODGCHLMZLVRQ-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685820396 1020750834 /nfs/dbraw/zinc/75/08/34/1020750834.db2.gz LORWNSLVIGIDRE-DTWKUNHWSA-N -1 3 321.726 3.849 20 0 DHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685820395 1020751199 /nfs/dbraw/zinc/75/11/99/1020751199.db2.gz LORWNSLVIGIDRE-BDAKNGLRSA-N -1 3 321.726 3.849 20 0 DHADHM C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)[C@@H]1c1ccccc1 ZINC000177827387 1020817240 /nfs/dbraw/zinc/81/72/40/1020817240.db2.gz MXXHLIFIUCLZAO-XCLFUZPHSA-N -1 3 321.376 3.692 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000613396228 1020930543 /nfs/dbraw/zinc/93/05/43/1020930543.db2.gz RAPNFVJJDQKNGG-PXAZEXFGSA-N -1 3 305.443 3.766 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000613396231 1020930593 /nfs/dbraw/zinc/93/05/93/1020930593.db2.gz RAPNFVJJDQKNGG-YVEFUNNKSA-N -1 3 305.443 3.766 20 0 DHADHM O=C1CCc2ccc(-c3nc4ccc(Cl)cc4c(=O)[n-]3)cc21 ZINC000685897032 1021040227 /nfs/dbraw/zinc/04/02/27/1021040227.db2.gz WQCXETWIPOPEND-UHFFFAOYSA-N -1 3 310.740 3.785 20 0 DHADHM Cc1cc(CSCCC[N-]C(=O)C(F)(F)F)c(C)s1 ZINC000180783412 1021165030 /nfs/dbraw/zinc/16/50/30/1021165030.db2.gz MWGPTYBJELRDHL-UHFFFAOYSA-N -1 3 311.394 3.667 20 0 DHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128228681 1021203320 /nfs/dbraw/zinc/20/33/20/1021203320.db2.gz GATDILIQKVMSJE-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000128370304 1021231937 /nfs/dbraw/zinc/23/19/37/1021231937.db2.gz HAUQEUZTASPNLE-ZJUUUORDSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1cc(F)cc([C@]2(F)CCN(Cc3nc(C)ccc3[O-])C2)c1 ZINC000337400639 1032967574 /nfs/dbraw/zinc/96/75/74/1032967574.db2.gz LCWNUWBYAJHNCI-SFHVURJKSA-N -1 3 318.367 3.614 20 0 DHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3cccc([O-])c3F)c2c1 ZINC000128435231 1021251865 /nfs/dbraw/zinc/25/18/65/1021251865.db2.gz ZJTIRHABCHKUHN-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091011528 1021259040 /nfs/dbraw/zinc/25/90/40/1021259040.db2.gz KUOTUIGOEVEDSX-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cc2ccccc2s1 ZINC000187810229 1021275513 /nfs/dbraw/zinc/27/55/13/1021275513.db2.gz WPJOAHIRTYVFMA-JTQLQIEISA-N -1 3 322.393 3.664 20 0 DHADHM CCc1nnc([N-]C(=O)c2sccc2SC(F)F)s1 ZINC000107101879 1021297870 /nfs/dbraw/zinc/29/78/70/1021297870.db2.gz SIVAIVHGRPFSEO-UHFFFAOYSA-N -1 3 321.399 3.729 20 0 DHADHM CC(C)CN(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128604607 1021299389 /nfs/dbraw/zinc/29/93/89/1021299389.db2.gz WQSYHMQTTYYYGJ-UHFFFAOYSA-N -1 3 316.376 3.876 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000128798911 1021350419 /nfs/dbraw/zinc/35/04/19/1021350419.db2.gz LMTAJEAVELRRLM-DTWKUNHWSA-N -1 3 305.271 3.839 20 0 DHADHM O=C(CSc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128982067 1021392926 /nfs/dbraw/zinc/39/29/26/1021392926.db2.gz YHNLHMYHFCLNQK-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000129663193 1021531418 /nfs/dbraw/zinc/53/14/18/1021531418.db2.gz IIDAHXUKLFHOMW-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccccc1-c1cnc(COC(=O)c2ccc([O-])cc2)o1 ZINC000744474981 1021555899 /nfs/dbraw/zinc/55/58/99/1021555899.db2.gz HWZIZWUIWRFILI-UHFFFAOYSA-N -1 3 309.321 3.713 20 0 DHADHM Cc1ccc(-c2cnc(COC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000744475618 1021557272 /nfs/dbraw/zinc/55/72/72/1021557272.db2.gz QQFRKAJRYFKPFF-UHFFFAOYSA-N -1 3 309.321 3.713 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1F ZINC000919061936 1021709279 /nfs/dbraw/zinc/70/92/79/1021709279.db2.gz ZKZFXDCJSJDTJX-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1F ZINC000919061936 1021709295 /nfs/dbraw/zinc/70/92/95/1021709295.db2.gz ZKZFXDCJSJDTJX-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM O=C(Nc1csc2ccccc12)c1cc(F)cc2n[n-]nc21 ZINC000337452858 1033005352 /nfs/dbraw/zinc/00/53/52/1033005352.db2.gz ITZUOKCHKDIJPU-UHFFFAOYSA-N -1 3 312.329 3.564 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1[O-] ZINC000556893059 1021926766 /nfs/dbraw/zinc/92/67/66/1021926766.db2.gz QQUVOMWGILDGIZ-NSHDSACASA-N -1 3 315.344 3.551 20 0 DHADHM CC[C@H]1c2ccccc2CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000893114584 1021949542 /nfs/dbraw/zinc/94/95/42/1021949542.db2.gz VYILPLOHEVHNEN-INIZCTEOSA-N -1 3 314.360 3.708 20 0 DHADHM O=c1nc(-c2cccc(F)n2)[n-]c2scc(-c3ccccc3)c21 ZINC000155132294 1021972207 /nfs/dbraw/zinc/97/22/07/1021972207.db2.gz CBUIIGUKBJMCSA-UHFFFAOYSA-N -1 3 323.352 3.853 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCc4ccccc43)n[n-]2)o1 ZINC000920130210 1022055581 /nfs/dbraw/zinc/05/55/81/1022055581.db2.gz SFAUYLBWLADHQK-INIZCTEOSA-N -1 3 308.337 3.822 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCc4ccccc43)[n-]n2)o1 ZINC000920130210 1022055595 /nfs/dbraw/zinc/05/55/95/1022055595.db2.gz SFAUYLBWLADHQK-INIZCTEOSA-N -1 3 308.337 3.822 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000416124676 1022142634 /nfs/dbraw/zinc/14/26/34/1022142634.db2.gz ULJLPYSTGYKATL-UHFFFAOYSA-N -1 3 318.398 3.536 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000804292432 1022144361 /nfs/dbraw/zinc/14/43/61/1022144361.db2.gz FRYFRGWIOVAMEQ-MJGOQNOKSA-N -1 3 321.420 3.802 20 0 DHADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000620429195 1022149647 /nfs/dbraw/zinc/14/96/47/1022149647.db2.gz GCKRXTFLMORLHN-LQDVMPOASA-N -1 3 305.393 3.644 20 0 DHADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000339117076 1022191154 /nfs/dbraw/zinc/19/11/54/1022191154.db2.gz ZZKBRIOERLIYSF-ALCCZGGFSA-N -1 3 322.311 3.661 20 0 DHADHM COCCC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000183621140 1022214288 /nfs/dbraw/zinc/21/42/88/1022214288.db2.gz FDOUODISUCGPNQ-CXUHLZMHSA-N -1 3 314.223 3.636 20 0 DHADHM CCCCCC[C@@](C)(CC)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216494 1022265270 /nfs/dbraw/zinc/26/52/70/1022265270.db2.gz SYSDWRNAUMIWDA-GOSISDBHSA-N -1 3 319.449 3.848 20 0 DHADHM CSCC1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000295520765 1022315408 /nfs/dbraw/zinc/31/54/08/1022315408.db2.gz QJMFEQYURHRLSI-UHFFFAOYSA-N -1 3 313.850 3.697 20 0 DHADHM Cc1ccc(CCCNc2[n-]c(=O)c(Cl)cc2Cl)cn1 ZINC001169254232 1022324391 /nfs/dbraw/zinc/32/43/91/1022324391.db2.gz JXKPQFQSHVHJEU-UHFFFAOYSA-N -1 3 312.200 3.842 20 0 DHADHM Cc1ccc(N[C@@H]2C[C@H](C)c3ccccc32)cc1-c1nnn[n-]1 ZINC001169372322 1022369992 /nfs/dbraw/zinc/36/99/92/1022369992.db2.gz DWZBNBCENRDKHH-YVEFUNNKSA-N -1 3 305.385 3.836 20 0 DHADHM Cc1ccc(N[C@@H]2C[C@H](C)c3ccccc32)cc1-c1nn[n-]n1 ZINC001169372322 1022370008 /nfs/dbraw/zinc/37/00/08/1022370008.db2.gz DWZBNBCENRDKHH-YVEFUNNKSA-N -1 3 305.385 3.836 20 0 DHADHM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000079927110 1022418676 /nfs/dbraw/zinc/41/86/76/1022418676.db2.gz KNVTVTQBASNSLS-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM COc1ccccc1-n1nccc1Nc1ccc(Cl)c([O-])c1 ZINC001212590701 1022433333 /nfs/dbraw/zinc/43/33/33/1022433333.db2.gz ZAEXDEPQMXZXJD-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM CC(C)(C)OC(=O)C(C)(C)Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001169585341 1022471074 /nfs/dbraw/zinc/47/10/74/1022471074.db2.gz YAVYIWAMUCQXDF-UHFFFAOYSA-N -1 3 306.431 3.514 20 0 DHADHM CCN1Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc2C1=O ZINC001212593373 1022485690 /nfs/dbraw/zinc/48/56/90/1022485690.db2.gz NMQYDQNBFJQPMU-UHFFFAOYSA-N -1 3 302.761 3.765 20 0 DHADHM COC(=O)c1c(F)ccc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593272 1022486421 /nfs/dbraw/zinc/48/64/21/1022486421.db2.gz IVMVEMSQBFFISE-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)Cc1ccc(OC)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592550 1022491120 /nfs/dbraw/zinc/49/11/20/1022491120.db2.gz VXPSOWFQAFKCKS-UHFFFAOYSA-N -1 3 321.760 3.513 20 0 DHADHM [O-]c1cccnc1CNc1nc(Cl)c(Cl)cc1Cl ZINC001169726960 1022508239 /nfs/dbraw/zinc/50/82/39/1022508239.db2.gz IHRXIGZGELJQQY-UHFFFAOYSA-N -1 3 304.564 3.755 20 0 DHADHM C[C@H](NC(=O)Nc1nc2c(cccc2[O-])s1)c1ccccc1 ZINC001202493038 1022560250 /nfs/dbraw/zinc/56/02/50/1022560250.db2.gz LJRSZTHNRULBNO-JTQLQIEISA-N -1 3 313.382 3.885 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCCC2)c1[n-]cnc1C(F)(F)F ZINC000855024876 1022565063 /nfs/dbraw/zinc/56/50/63/1022565063.db2.gz OVVOHASAMWPMPL-UHFFFAOYSA-N -1 3 323.318 3.950 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCCC2)c1nc[n-]c1C(F)(F)F ZINC000855024876 1022565070 /nfs/dbraw/zinc/56/50/70/1022565070.db2.gz OVVOHASAMWPMPL-UHFFFAOYSA-N -1 3 323.318 3.950 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 ZINC000616138622 1022644934 /nfs/dbraw/zinc/64/49/34/1022644934.db2.gz JCOYYALKRCRKLD-ABXQLRGKSA-N -1 3 317.454 3.622 20 0 DHADHM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000158994588 1022679983 /nfs/dbraw/zinc/67/99/83/1022679983.db2.gz AJBBJMUWMZVGMX-QGZVFWFLSA-N -1 3 314.360 3.754 20 0 DHADHM CC(C)c1ncc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417566281 1022789283 /nfs/dbraw/zinc/78/92/83/1022789283.db2.gz QYSLVCFGYCCGRU-WFASDCNBSA-N -1 3 318.442 3.818 20 0 DHADHM CC(C)(CC(=O)[N-]OCC1CCC1)CC(=O)c1ccccc1 ZINC000856351233 1022802286 /nfs/dbraw/zinc/80/22/86/1022802286.db2.gz FBCMLHFIOIVVHF-UHFFFAOYSA-N -1 3 303.402 3.524 20 0 DHADHM O=C(N[C@H]1CCCC12CCCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000617105432 1022867170 /nfs/dbraw/zinc/86/71/70/1022867170.db2.gz JVVFAQUFCFHLKV-SFHVURJKSA-N -1 3 324.424 3.761 20 0 DHADHM O=C([N-]c1nc(C2CC2)no1)c1cc(Cl)c(F)cc1Cl ZINC000825887560 1033091852 /nfs/dbraw/zinc/09/18/52/1033091852.db2.gz PRUOWJHKJLYHHN-UHFFFAOYSA-N -1 3 316.119 3.645 20 0 DHADHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)[N-]OCC(F)F ZINC000768445067 1022967948 /nfs/dbraw/zinc/96/79/48/1022967948.db2.gz CDEXLRJKULEBCF-ALCCZGGFSA-N -1 3 310.127 3.710 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)OCCO2 ZINC000294015044 1022977234 /nfs/dbraw/zinc/97/72/34/1022977234.db2.gz HABNPZOEBMPQTG-NSHDSACASA-N -1 3 319.788 3.668 20 0 DHADHM Cc1nc(NC2CC2)sc1C(=O)Nc1c([O-])cccc1Cl ZINC000857269993 1022980121 /nfs/dbraw/zinc/98/01/21/1022980121.db2.gz LGNBOELAFIOBEO-UHFFFAOYSA-N -1 3 323.805 3.637 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1[O-] ZINC000857434273 1023006384 /nfs/dbraw/zinc/00/63/84/1023006384.db2.gz MHKQOGKEISLCLR-UHFFFAOYSA-N -1 3 310.397 3.807 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c([O-])c1 ZINC000857434930 1023007166 /nfs/dbraw/zinc/00/71/66/1023007166.db2.gz XXLSYEMGNSTHEY-UHFFFAOYSA-N -1 3 310.397 3.807 20 0 DHADHM O=C(Nc1cc2c(cn1)CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622068974 1023016631 /nfs/dbraw/zinc/01/66/31/1023016631.db2.gz GMFKTLRYZWEUPH-UHFFFAOYSA-N -1 3 322.286 3.547 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000622281564 1023096256 /nfs/dbraw/zinc/09/62/56/1023096256.db2.gz JQOPMINZAKIPBP-LLVKDONJSA-N -1 3 323.314 3.945 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622298449 1023104561 /nfs/dbraw/zinc/10/45/61/1023104561.db2.gz JCRVGPKHJBPFOS-LLVKDONJSA-N -1 3 321.779 3.947 20 0 DHADHM CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000622352061 1023124034 /nfs/dbraw/zinc/12/40/34/1023124034.db2.gz NLFYMQRCHSWHPV-MRXNPFEDSA-N -1 3 307.409 3.939 20 0 DHADHM CCCCCC[C@@H](CCC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172377383 1033111692 /nfs/dbraw/zinc/11/16/92/1033111692.db2.gz BAZRZHRCVBWOJX-SNVBAGLBSA-N -1 3 324.450 3.695 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)c1 ZINC000047454281 1023313954 /nfs/dbraw/zinc/31/39/54/1023313954.db2.gz FYOSCDHWJKPMGD-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H](C)S1 ZINC001137111306 1033128089 /nfs/dbraw/zinc/12/80/89/1033128089.db2.gz JSYFHLHDFSEJKI-NXEZZACHSA-N -1 3 307.440 3.573 20 0 DHADHM Cc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c(=O)[nH]1 ZINC000771127511 1023400199 /nfs/dbraw/zinc/40/01/99/1023400199.db2.gz KTZNZDBYONHHDC-UHFFFAOYSA-N -1 3 319.320 3.671 20 0 DHADHM CCc1cccc(C(=O)N(C)CCc2ccc(Cl)cc2)c1[O-] ZINC000538715304 1033142517 /nfs/dbraw/zinc/14/25/17/1033142517.db2.gz ZBFWXMCNPITGLI-UHFFFAOYSA-N -1 3 317.816 3.923 20 0 DHADHM CCC[C@H](C)c1cc(NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000278845212 1023601286 /nfs/dbraw/zinc/60/12/86/1023601286.db2.gz KTPNDJDFBURQHY-VIFPVBQESA-N -1 3 307.781 3.925 20 0 DHADHM O=c1nc(CN2CC[C@@H](C3CCCCC3)C2)[n-]c2ccsc21 ZINC000661578466 1023647795 /nfs/dbraw/zinc/64/77/95/1023647795.db2.gz NNGOAZXDGBSCTN-CYBMUJFWSA-N -1 3 317.458 3.799 20 0 DHADHM O=C(OCc1coc(-c2ccccc2)n1)c1cc2occc2[n-]1 ZINC000786029893 1023653208 /nfs/dbraw/zinc/65/32/08/1023653208.db2.gz IYXOEZPKCZGQTE-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM C[C@H](CCOC(=O)c1cc2occc2[n-]1)OCc1ccccc1 ZINC000786032517 1023654431 /nfs/dbraw/zinc/65/44/31/1023654431.db2.gz IXLUWFGDUBRWFA-CYBMUJFWSA-N -1 3 313.353 3.913 20 0 DHADHM Cc1csc(COC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000786137321 1023667240 /nfs/dbraw/zinc/66/72/40/1023667240.db2.gz LEXMQUBTDZIQBD-UHFFFAOYSA-N -1 3 305.380 3.729 20 0 DHADHM Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)o1 ZINC000047682096 1023682558 /nfs/dbraw/zinc/68/25/58/1023682558.db2.gz VGJHJYAIQIOSEL-UHFFFAOYSA-N -1 3 304.396 3.591 20 0 DHADHM O=C(OCc1sccc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000786542845 1023708269 /nfs/dbraw/zinc/70/82/69/1023708269.db2.gz KYGNQGJTBILCNL-UHFFFAOYSA-N -1 3 308.746 3.742 20 0 DHADHM O=C(OCc1sccc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000786542845 1023708277 /nfs/dbraw/zinc/70/82/77/1023708277.db2.gz KYGNQGJTBILCNL-UHFFFAOYSA-N -1 3 308.746 3.742 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cc(Cl)ccc2F)cc1 ZINC000786744039 1023720374 /nfs/dbraw/zinc/72/03/74/1023720374.db2.gz MCKIQBCJSPHQSP-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(Cl)c1 ZINC000048652685 1023800670 /nfs/dbraw/zinc/80/06/70/1023800670.db2.gz TXNNHPHFDLCLHP-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCCc1cccs1 ZINC000787851360 1023827090 /nfs/dbraw/zinc/82/70/90/1023827090.db2.gz YHTOPLJVAFCANN-UHFFFAOYSA-N -1 3 308.374 3.701 20 0 DHADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788294082 1023870919 /nfs/dbraw/zinc/87/09/19/1023870919.db2.gz SKOBYBPWSHLVLO-NSHDSACASA-N -1 3 312.394 3.835 20 0 DHADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OCc1ccccc1 ZINC000788728504 1023926519 /nfs/dbraw/zinc/92/65/19/1023926519.db2.gz NMSBLPHOZGRRGL-UHFFFAOYSA-N -1 3 310.180 3.784 20 0 DHADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC2CCCC2)c1 ZINC000788758599 1023930294 /nfs/dbraw/zinc/93/02/94/1023930294.db2.gz KPTSSXXAQXTHMF-AWEZNQCLSA-N -1 3 305.418 3.959 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2nn(C)c3ccccc23)CC)n1 ZINC000663230585 1023947422 /nfs/dbraw/zinc/94/74/22/1023947422.db2.gz WMASVSQHFHONSC-ACCUITESSA-N -1 3 322.412 3.972 20 0 DHADHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCCC(C)(C)C1CC1 ZINC000882297275 1024015687 /nfs/dbraw/zinc/01/56/87/1024015687.db2.gz YDHUJYXTGFLKNK-UHFFFAOYSA-N -1 3 324.446 3.586 20 0 DHADHM CC(C)(C)O[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001319685742 1024040324 /nfs/dbraw/zinc/04/03/24/1024040324.db2.gz ABKJADXQTHDZLG-UHFFFAOYSA-N -1 3 312.822 3.729 20 0 DHADHM CO[N-]C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000025822790 1024135815 /nfs/dbraw/zinc/13/58/15/1024135815.db2.gz ULWKKQLOEOFOCA-BANKROOTSA-N -1 3 313.441 3.819 20 0 DHADHM CCC[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452759187 1024185945 /nfs/dbraw/zinc/18/59/45/1024185945.db2.gz SYJDJKOIWCBRAH-QMMMGPOBSA-N -1 3 300.196 3.838 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(OC)c2)CC)n1 ZINC000453031421 1024294363 /nfs/dbraw/zinc/29/43/63/1024294363.db2.gz VQOCMGRZBAMAAO-QPEQYQDCSA-N -1 3 316.376 3.821 20 0 DHADHM [O-]c1ccc(-c2cncc(Oc3cccc(F)c3)n2)c(F)c1 ZINC001206038015 1024306124 /nfs/dbraw/zinc/30/61/24/1024306124.db2.gz PIAJHCLBAZTSSP-UHFFFAOYSA-N -1 3 300.264 3.920 20 0 DHADHM O=C(OCCCC1CCOCC1)c1cc2sccc2c([O-])c1 ZINC000790665600 1024347993 /nfs/dbraw/zinc/34/79/93/1024347993.db2.gz IBTFKZQJFGCHCG-UHFFFAOYSA-N -1 3 320.410 3.971 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)nc2C)CC)n1 ZINC000278906709 1024427676 /nfs/dbraw/zinc/42/76/76/1024427676.db2.gz GIDKLEADPPTSOW-FMIVXFBMSA-N -1 3 301.365 3.928 20 0 DHADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339116390 1024569172 /nfs/dbraw/zinc/56/91/72/1024569172.db2.gz NWCZGVNFKGBUJK-HJWRWDBZSA-N -1 3 324.359 3.603 20 0 DHADHM O=[S@](Cc1csc(C2CCCC2)n1)c1ccc([O-])cc1 ZINC000108082823 1024633281 /nfs/dbraw/zinc/63/32/81/1024633281.db2.gz RFMRJVMRWCSQDC-FQEVSTJZSA-N -1 3 307.440 3.814 20 0 DHADHM CN(CCc1ccccc1F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792157016 1024637106 /nfs/dbraw/zinc/63/71/06/1024637106.db2.gz AEOKKKHYDHWWTQ-UHFFFAOYSA-N -1 3 323.367 3.999 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C(C)(C)CO1 ZINC000792177063 1024644413 /nfs/dbraw/zinc/64/44/13/1024644413.db2.gz AOMNROJTSVIBQO-UHFFFAOYSA-N -1 3 313.397 3.575 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000318820735 1024662061 /nfs/dbraw/zinc/66/20/61/1024662061.db2.gz YBELHIOZEHKGPF-GFCCVEGCSA-N -1 3 319.298 3.687 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000349965099 1024776576 /nfs/dbraw/zinc/77/65/76/1024776576.db2.gz NOIGBCLTLVTOFG-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM CC(C)(CCN1CCc2cccc(C(F)(F)F)c2C1)C(=O)[O-] ZINC000859820612 1033242980 /nfs/dbraw/zinc/24/29/80/1033242980.db2.gz VOZLYSPDFOPDHU-UHFFFAOYSA-N -1 3 315.335 3.564 20 0 DHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cnc(-c2cccs2)s1 ZINC000263358983 1024944806 /nfs/dbraw/zinc/94/48/06/1024944806.db2.gz ROTHSRKLDFAIOK-QWRGUYRKSA-N -1 3 322.455 3.557 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CCCC(F)(F)F)c1 ZINC000613982212 1024966757 /nfs/dbraw/zinc/96/67/57/1024966757.db2.gz NMKAZRSASNRQFL-VIFPVBQESA-N -1 3 321.364 3.965 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(COCC(F)(F)F)no1 ZINC000323792593 1025006285 /nfs/dbraw/zinc/00/62/85/1025006285.db2.gz DSNUFTCDLQTFNS-UHFFFAOYSA-N -1 3 324.258 3.674 20 0 DHADHM CCCn1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000121363954 1025087918 /nfs/dbraw/zinc/08/79/18/1025087918.db2.gz QIHNBPKQKRBXGL-UHFFFAOYSA-N -1 3 307.781 3.521 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cc3cccc(F)c3o2)o1 ZINC000353829132 1025262467 /nfs/dbraw/zinc/26/24/67/1025262467.db2.gz CNRNTWGDTDLZLZ-SNVBAGLBSA-N -1 3 323.345 3.513 20 0 DHADHM CCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2OC)c([O-])c1 ZINC001625978475 1025308689 /nfs/dbraw/zinc/30/86/89/1025308689.db2.gz AJXXCABLKYLZMI-LLVKDONJSA-N -1 3 317.360 3.593 20 0 DHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(F)F)cc1 ZINC000885582033 1025344814 /nfs/dbraw/zinc/34/48/14/1025344814.db2.gz XDRUSXHUHMNYMU-UHFFFAOYSA-N -1 3 321.327 3.804 20 0 DHADHM COc1cc(C)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001211721700 1025374614 /nfs/dbraw/zinc/37/46/14/1025374614.db2.gz NWEXRFHYWLYXRY-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM CC1(C)CC(=O)CC[C@H]1Oc1cccc([O-])c1Br ZINC001229143431 1025422171 /nfs/dbraw/zinc/42/21/71/1025422171.db2.gz WCYNCPAIKWCXFZ-GFCCVEGCSA-N -1 3 313.191 3.681 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C(C3CCC3)C3CCC3)n[n-]2)o1 ZINC000354911538 1025548727 /nfs/dbraw/zinc/54/87/27/1025548727.db2.gz QKCFDOJWZGLGQJ-UHFFFAOYSA-N -1 3 314.389 3.528 20 0 DHADHM O=c1nc(CN2CCC[C@H]3CCCC[C@@H]32)[n-]c2ccsc21 ZINC000067132613 1025635786 /nfs/dbraw/zinc/63/57/86/1025635786.db2.gz BRBPLIDFHANVBT-YPMHNXCESA-N -1 3 303.431 3.552 20 0 DHADHM COc1nccc(Nc2nc3c(cccc3[O-])s2)c1Cl ZINC001211941400 1025673703 /nfs/dbraw/zinc/67/37/03/1025673703.db2.gz WCRVAXPNWLXPLE-UHFFFAOYSA-N -1 3 307.762 3.803 20 0 DHADHM CCCCn1nc(C)c(C=Cc2nc(C)cc(=O)[n-]2)c1Cl ZINC000806574285 1025931503 /nfs/dbraw/zinc/93/15/03/1025931503.db2.gz KDZCIOBXIRFEMI-VOTSOKGWSA-N -1 3 306.797 3.619 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1 ZINC000322104279 1025975618 /nfs/dbraw/zinc/97/56/18/1025975618.db2.gz SYNWWPMJMPLDOU-UHFFFAOYSA-N -1 3 323.314 3.622 20 0 DHADHM CCSc1cccc(F)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000289998096 1026273877 /nfs/dbraw/zinc/27/38/77/1026273877.db2.gz CKADCWMIOAEUMJ-GFCCVEGCSA-N -1 3 314.382 3.517 20 0 DHADHM CCSc1cccc(F)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000289998096 1026273882 /nfs/dbraw/zinc/27/38/82/1026273882.db2.gz CKADCWMIOAEUMJ-GFCCVEGCSA-N -1 3 314.382 3.517 20 0 DHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1ccccc1F ZINC000808494318 1026310177 /nfs/dbraw/zinc/31/01/77/1026310177.db2.gz MWZXORFNNHEWON-BMIGLBTASA-N -1 3 321.298 3.556 20 0 DHADHM CC[C@@H]([N-]C(=O)C(C)(F)F)c1cc(F)cc(Br)c1 ZINC000808467351 1026312544 /nfs/dbraw/zinc/31/25/44/1026312544.db2.gz ZBUCDPBMFXKDQN-SNVBAGLBSA-N -1 3 324.140 3.811 20 0 DHADHM Cc1cccnc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000320376984 1026316943 /nfs/dbraw/zinc/31/69/43/1026316943.db2.gz ALXOFLPYVHNSID-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)c([O-])c1 ZINC000729272859 1026403140 /nfs/dbraw/zinc/40/31/40/1026403140.db2.gz PVYXPKRIJIVEOU-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000729357496 1026430728 /nfs/dbraw/zinc/43/07/28/1026430728.db2.gz XCKCPYMYMWLARN-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000729357496 1026430730 /nfs/dbraw/zinc/43/07/30/1026430730.db2.gz XCKCPYMYMWLARN-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM C[C@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000809339009 1026515765 /nfs/dbraw/zinc/51/57/65/1026515765.db2.gz QBEYUDJFYPPHBV-BMIGLBTASA-N -1 3 321.298 3.556 20 0 DHADHM O=C(OCC[C@H]1CCCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810667547 1026821656 /nfs/dbraw/zinc/82/16/56/1026821656.db2.gz BSEUDDSNIYARFH-SNVBAGLBSA-N -1 3 313.806 3.999 20 0 DHADHM CC(C)COCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810719801 1026834276 /nfs/dbraw/zinc/83/42/76/1026834276.db2.gz YZNLSKQHOXLPTG-UHFFFAOYSA-N -1 3 301.795 3.712 20 0 DHADHM CCO[C@@H]1CCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810808850 1026853610 /nfs/dbraw/zinc/85/36/10/1026853610.db2.gz JWFWEWXYXZKRFL-GHMZBOCLSA-N -1 3 313.806 3.997 20 0 DHADHM Cc1ncccc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810882278 1026872524 /nfs/dbraw/zinc/87/25/24/1026872524.db2.gz JQPZSRFRDWPJGY-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C(C)C)[C@@H](C)c2ccsc2)n1 ZINC000421020076 1026919320 /nfs/dbraw/zinc/91/93/20/1026919320.db2.gz YSSKLFYCVIJWAE-LBPRGKRZSA-N -1 3 305.447 3.778 20 0 DHADHM Cc1noc(C)c1CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394028 1026992531 /nfs/dbraw/zinc/99/25/31/1026992531.db2.gz WXJGZYPUJAYAQY-UHFFFAOYSA-N -1 3 324.789 3.887 20 0 DHADHM COc1c(C)ccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000562066777 1027210440 /nfs/dbraw/zinc/21/04/40/1027210440.db2.gz NBWMSZVFNFPOQZ-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1cccc(C(F)(F)F)c1 ZINC000812401149 1027260927 /nfs/dbraw/zinc/26/09/27/1027260927.db2.gz VWFCSXVSKSYKQY-QLCVYAKKSA-N -1 3 321.726 3.999 20 0 DHADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812403063 1027262479 /nfs/dbraw/zinc/26/24/79/1027262479.db2.gz NBRVAFBRRISGPL-UUILKARUSA-N -1 3 323.820 3.792 20 0 DHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OC/C=C\Cl)c(C)c1 ZINC000812403641 1027264165 /nfs/dbraw/zinc/26/41/65/1027264165.db2.gz UZLZPFPUIQCVNM-YVMONPNESA-N -1 3 323.820 3.765 20 0 DHADHM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OC/C=C\Cl ZINC000812404524 1027268038 /nfs/dbraw/zinc/26/80/38/1027268038.db2.gz FQWHUZOABPPGIX-WCIBSUBMSA-N -1 3 323.820 3.741 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)Cc1ccc(Cl)cc1 ZINC000812409500 1027270512 /nfs/dbraw/zinc/27/05/12/1027270512.db2.gz RHFVXYSKJVUOGV-FOKSMMDQSA-N -1 3 302.201 3.709 20 0 DHADHM O=C(NOC/C=C\Cl)c1cc(Oc2ccccc2)ccc1[O-] ZINC000812406999 1027282633 /nfs/dbraw/zinc/28/26/33/1027282633.db2.gz UJASUUSKKUTPAR-WTKPLQERSA-N -1 3 319.744 3.598 20 0 DHADHM C[C@H](CC(=O)[N-]OC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000812788850 1027407037 /nfs/dbraw/zinc/40/70/37/1027407037.db2.gz CJOLPIXOGZGXTB-SNVBAGLBSA-N -1 3 301.308 3.799 20 0 DHADHM CC(C)OCCO[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000812803887 1027427076 /nfs/dbraw/zinc/42/70/76/1027427076.db2.gz ZZNLNCLVYMDDNV-HNNXBMFYSA-N -1 3 307.434 3.776 20 0 DHADHM CC(C)OCCO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000812803888 1027428978 /nfs/dbraw/zinc/42/89/78/1027428978.db2.gz ZZNLNCLVYMDDNV-OAHLLOKOSA-N -1 3 307.434 3.776 20 0 DHADHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295795679 1027433716 /nfs/dbraw/zinc/43/37/16/1027433716.db2.gz ATLIGKAMSAIWEO-LJQANCHMSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1nc(-c2ccc(N[C@@H]3CCC[C@@H](F)C3)nc2)[n-]c(=O)c1C ZINC000645278221 1027472175 /nfs/dbraw/zinc/47/21/75/1027472175.db2.gz FJYQIJDYALJUFU-ZIAGYGMSSA-N -1 3 316.380 3.554 20 0 DHADHM O=C(NC1CC1)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000158348239 1027492934 /nfs/dbraw/zinc/49/29/34/1027492934.db2.gz WXJZSHPPPLQGQX-UHFFFAOYSA-N -1 3 316.788 3.550 20 0 DHADHM Cc1cc(F)ccc1[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000932557291 1027538741 /nfs/dbraw/zinc/53/87/41/1027538741.db2.gz OCJQAMFCBDHJJV-SNVBAGLBSA-N -1 3 317.389 3.695 20 0 DHADHM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc([O-])ccc1Cl ZINC000365642637 1027990159 /nfs/dbraw/zinc/99/01/59/1027990159.db2.gz JIXALVMASQZRFW-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000563594500 1028113590 /nfs/dbraw/zinc/11/35/90/1028113590.db2.gz VLZLVZULUPFGLM-QGZVFWFLSA-N -1 3 313.372 3.610 20 0 DHADHM CC(F)(F)C(=O)[N-]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000815100150 1028375386 /nfs/dbraw/zinc/37/53/86/1028375386.db2.gz RGZAJTPFFXCBEC-UHFFFAOYSA-N -1 3 311.278 3.826 20 0 DHADHM CCCO[C@@H]1CCCN(C(=O)c2ccc(SC)cc2[O-])CC1 ZINC000368911207 1028424874 /nfs/dbraw/zinc/42/48/74/1028424874.db2.gz BFWRUKYGHBYGRM-CYBMUJFWSA-N -1 3 323.458 3.535 20 0 DHADHM O=C([O-])c1ccccc1CCN1CCc2cc(Cl)ccc2C1 ZINC000564463986 1028456850 /nfs/dbraw/zinc/45/68/50/1028456850.db2.gz ULQAJMHRYFVVEC-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1csc2ccccc12 ZINC000565454009 1028589280 /nfs/dbraw/zinc/58/92/80/1028589280.db2.gz HAVXJSUYIFFCDZ-UHFFFAOYSA-N -1 3 323.464 3.947 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000626809950 1028675865 /nfs/dbraw/zinc/67/58/65/1028675865.db2.gz NVLGOHMRTZHGPF-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000627520971 1028773230 /nfs/dbraw/zinc/77/32/30/1028773230.db2.gz DFCUEBQNIRMENV-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(Br)cc1[O-] ZINC000567439673 1028894824 /nfs/dbraw/zinc/89/48/24/1028894824.db2.gz RWJTVHIPXHOXOK-ATZCPNFKSA-N -1 3 310.191 3.529 20 0 DHADHM Cc1cccc(OCCCNCc2c(F)ccc([O-])c2F)c1 ZINC000816530839 1028921806 /nfs/dbraw/zinc/92/18/06/1028921806.db2.gz XBWUTFALLGVNSB-UHFFFAOYSA-N -1 3 307.340 3.538 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cc2n(n1)CCCC2 ZINC000410879378 1028964765 /nfs/dbraw/zinc/96/47/65/1028964765.db2.gz MVAYFYYGQIIEKE-UHFFFAOYSA-N -1 3 319.405 3.723 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]Oc1ccccc1 ZINC000816684765 1028989877 /nfs/dbraw/zinc/98/98/77/1028989877.db2.gz PFZJOHPRSBEUFZ-HNNXBMFYSA-N -1 3 311.381 3.615 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCC(F)(F)CC1 ZINC000628628854 1029105880 /nfs/dbraw/zinc/10/58/80/1029105880.db2.gz HNPCHNLALMADET-UHFFFAOYSA-N -1 3 323.261 3.672 20 0 DHADHM O=C(CCCc1cccc(C(F)(F)F)c1)[N-]OCCC1CC1 ZINC000817388019 1029141963 /nfs/dbraw/zinc/14/19/63/1029141963.db2.gz NTHRFFZUGVHDAI-UHFFFAOYSA-N -1 3 315.335 3.876 20 0 DHADHM O=C(CCCc1ncc(-c2ccccc2)o1)[N-]OCCC1CC1 ZINC000817425928 1029161586 /nfs/dbraw/zinc/16/15/86/1029161586.db2.gz PFHDBNZNPYWQIT-UHFFFAOYSA-N -1 3 314.385 3.512 20 0 DHADHM Cn1cccc1[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191185425 1029307373 /nfs/dbraw/zinc/30/73/73/1029307373.db2.gz SIYMVIRGBXKLOQ-AWEZNQCLSA-N -1 3 308.784 3.860 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000629373465 1029316753 /nfs/dbraw/zinc/31/67/53/1029316753.db2.gz MZBQZYLTKNGIAV-GUTXKFCHSA-N -1 3 311.784 3.554 20 0 DHADHM COCC1(CCNC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000818019990 1029324667 /nfs/dbraw/zinc/32/46/67/1029324667.db2.gz AHIRBPADQMDEDW-UHFFFAOYSA-N -1 3 319.426 3.544 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)N(C)C ZINC000529538826 1029376632 /nfs/dbraw/zinc/37/66/32/1029376632.db2.gz KXFLKQFYOMNHCD-HNNXBMFYSA-N -1 3 320.820 3.724 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000156149860 1029395837 /nfs/dbraw/zinc/39/58/37/1029395837.db2.gz CWJQJNHWEHHWGV-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000156149860 1029395851 /nfs/dbraw/zinc/39/58/51/1029395851.db2.gz CWJQJNHWEHHWGV-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219319 1029563998 /nfs/dbraw/zinc/56/39/98/1029563998.db2.gz PZDBOECTNZRIGY-MWLCHTKSSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C(F)=C1CCC1 ZINC000819545546 1029583022 /nfs/dbraw/zinc/58/30/22/1029583022.db2.gz HBZODOXNFMZUIH-UHFFFAOYSA-N -1 3 314.154 3.809 20 0 DHADHM CC(C)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)c([O-])c1 ZINC000819994519 1029637230 /nfs/dbraw/zinc/63/72/30/1029637230.db2.gz AUEULJVQUSMYOJ-UHFFFAOYSA-N -1 3 301.308 3.683 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(C3CCOCC3)c2)c1[O-] ZINC000529938404 1029659910 /nfs/dbraw/zinc/65/99/10/1029659910.db2.gz KAHMFFRNQPCKOO-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM CCCOc1cc(C)ccc1NC(=O)c1cccc(OC)c1[O-] ZINC001136316217 1029702114 /nfs/dbraw/zinc/70/21/14/1029702114.db2.gz UYBVEKDLMOPJPV-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM CC(C)(C)SCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218111 1029703645 /nfs/dbraw/zinc/70/36/45/1029703645.db2.gz FXEFHHZJHCLXAD-UHFFFAOYSA-N -1 3 307.419 3.519 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H](C(F)(F)F)C1 ZINC000390956192 1029723847 /nfs/dbraw/zinc/72/38/47/1029723847.db2.gz YUPPZINAJMGSFJ-JTQLQIEISA-N -1 3 324.302 3.712 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000794853108 1029937238 /nfs/dbraw/zinc/93/72/38/1029937238.db2.gz LBMPMJAIGIILPF-CYBMUJFWSA-N -1 3 309.381 3.663 20 0 DHADHM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccnc2ccccc21 ZINC000357319809 1029995283 /nfs/dbraw/zinc/99/52/83/1029995283.db2.gz WSGKIZRBWVFZNI-UHFFFAOYSA-N -1 3 322.393 3.582 20 0 DHADHM Cc1cnc([C@H](C)OC(=O)c2cccc3[n-]c(C(F)F)nc32)o1 ZINC000924080135 1030013435 /nfs/dbraw/zinc/01/34/35/1030013435.db2.gz IWLUHYYPKFKHQI-QMMMGPOBSA-N -1 3 321.283 3.715 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000794866685 1030017958 /nfs/dbraw/zinc/01/79/58/1030017958.db2.gz ULNBWTPISUYHSZ-LLVKDONJSA-N -1 3 319.323 3.612 20 0 DHADHM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]2CCCC[C@@H]12 ZINC000533239377 1030208631 /nfs/dbraw/zinc/20/86/31/1030208631.db2.gz ZJBCYRXKTNSUFG-MBNYWOFBSA-N -1 3 317.458 3.798 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@H]2CCCC[C@H]2C)cc1[O-] ZINC001136791721 1030424750 /nfs/dbraw/zinc/42/47/50/1030424750.db2.gz ZAKQWQGWBVDVAE-TZMCWYRMSA-N -1 3 303.402 3.541 20 0 DHADHM C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000866769604 1030439392 /nfs/dbraw/zinc/43/93/92/1030439392.db2.gz OSVPSPQLHVWTMK-GFCCVEGCSA-N -1 3 319.351 3.556 20 0 DHADHM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(Cl)cc1[O-] ZINC000533618658 1030460454 /nfs/dbraw/zinc/46/04/54/1030460454.db2.gz ZRPLGKCGEBWEQM-UHFFFAOYSA-N -1 3 315.678 3.644 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccn(C(C)C)n1 ZINC000291637842 1030581575 /nfs/dbraw/zinc/58/15/75/1030581575.db2.gz KIIHKOPEIYXUOT-UHFFFAOYSA-N -1 3 307.394 3.967 20 0 DHADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc[n+]([O-])c1 ZINC000122219956 1030608297 /nfs/dbraw/zinc/60/82/97/1030608297.db2.gz VOEHOGCLOOLLMH-UHFFFAOYSA-N -1 3 322.817 3.726 20 0 DHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000358797719 1030631276 /nfs/dbraw/zinc/63/12/76/1030631276.db2.gz AJYGVYISSXNZPQ-LBPRGKRZSA-N -1 3 302.378 3.610 20 0 DHADHM COCCCOc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212009531 1030650524 /nfs/dbraw/zinc/65/05/24/1030650524.db2.gz RWDDVPBLSYVOKC-UHFFFAOYSA-N -1 3 309.312 3.829 20 0 DHADHM [O-]c1ccc(Nc2cccc(Cn3ccnc3)c2)c(F)c1F ZINC001212009928 1030651499 /nfs/dbraw/zinc/65/14/99/1030651499.db2.gz ZSTFVLWMSZWZBH-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM COC(=O)c1cc(Cl)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010829 1030655006 /nfs/dbraw/zinc/65/50/06/1030655006.db2.gz AWSXSKDOTWCOFN-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cc1noc(-c2ccc(Nc3ccc([O-])c(F)c3F)cc2)n1 ZINC001212011198 1030655226 /nfs/dbraw/zinc/65/52/26/1030655226.db2.gz XIKSRELEJPBDDE-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM CC1(c2nsc([N-]C(=O)c3sccc3C(F)F)n2)CC1 ZINC000824876454 1030668939 /nfs/dbraw/zinc/66/89/39/1030668939.db2.gz SGLZMTVTTMZVHI-UHFFFAOYSA-N -1 3 315.370 3.841 20 0 DHADHM [O-]c1ccc(Nc2ccc(-c3cc(CO)on3)cc2)c(F)c1F ZINC001212016240 1030671397 /nfs/dbraw/zinc/67/13/97/1030671397.db2.gz GCROCFBUKLMWQF-UHFFFAOYSA-N -1 3 318.279 3.561 20 0 DHADHM COCCOc1c(F)cccc1Nc1ccc([O-])c(F)c1F ZINC001212016163 1030672980 /nfs/dbraw/zinc/67/29/80/1030672980.db2.gz AZSZWNXQCITGHP-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM O=C1c2c(cccc2Nc2ccc([O-])c(F)c2F)CN1C1CC1 ZINC001212016407 1030675070 /nfs/dbraw/zinc/67/50/70/1030675070.db2.gz OOCZFMVVFHVRFU-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM CCCCCC[C@@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304819 1030771263 /nfs/dbraw/zinc/77/12/63/1030771263.db2.gz KWQTTZPRFYQUSI-CYBMUJFWSA-N -1 3 319.449 3.672 20 0 DHADHM CC(=O)Oc1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001212066206 1030799424 /nfs/dbraw/zinc/79/94/24/1030799424.db2.gz LRDABMKFGIPXNU-UHFFFAOYSA-N -1 3 300.339 3.671 20 0 DHADHM O=C(NCc1ncccc1[O-])[C@H](c1ccccc1)C1CCCCC1 ZINC001143631178 1030868756 /nfs/dbraw/zinc/86/87/56/1030868756.db2.gz XCPSXLULRYJGCD-LJQANCHMSA-N -1 3 324.424 3.768 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(C1CC1)C1CC1 ZINC000558880423 1030900307 /nfs/dbraw/zinc/90/03/07/1030900307.db2.gz NQFPRRNDQJHUBP-UHFFFAOYSA-N -1 3 322.368 3.593 20 0 DHADHM CCCCc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)n[nH]1 ZINC001143794083 1030976116 /nfs/dbraw/zinc/97/61/16/1030976116.db2.gz LJAOSAFGKISOHE-UHFFFAOYSA-N -1 3 313.401 3.589 20 0 DHADHM C[C@H](NCc1nc2c(s1)CCCC2)c1cccc([O-])c1F ZINC000926918710 1030990857 /nfs/dbraw/zinc/99/08/57/1030990857.db2.gz IKSPPMPCLGTHKL-JTQLQIEISA-N -1 3 306.406 3.717 20 0 DHADHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212093887 1031009835 /nfs/dbraw/zinc/00/98/35/1031009835.db2.gz NXNRVDRAJHZWNY-YPMHNXCESA-N -1 3 322.257 3.706 20 0 DHADHM Cc1ccc(CCCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212091 1031162834 /nfs/dbraw/zinc/16/28/34/1031162834.db2.gz XJVVARMIOYUYHX-UHFFFAOYSA-N -1 3 303.324 3.708 20 0 DHADHM O=C(NOCCCC(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000871216372 1031164999 /nfs/dbraw/zinc/16/49/99/1031164999.db2.gz XCMPQUNRZIGBEE-UHFFFAOYSA-N -1 3 313.275 3.549 20 0 DHADHM Cc1noc(C2CC2)c1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC000871268120 1031177679 /nfs/dbraw/zinc/17/76/79/1031177679.db2.gz HTMIFDLXGRYHKP-UHFFFAOYSA-N -1 3 314.238 3.669 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(F)cc2C)n1 ZINC001171132068 1031202454 /nfs/dbraw/zinc/20/24/54/1031202454.db2.gz CGJVIFJUONXJGG-INIZCTEOSA-N -1 3 315.392 3.529 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@@H]2OCCc3ccccc32)n1 ZINC000871695572 1031271957 /nfs/dbraw/zinc/27/19/57/1031271957.db2.gz CTWXXPUMWPMSCN-DOMZBBRYSA-N -1 3 316.426 3.599 20 0 DHADHM CC[C@@H](OCCSCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000844641815 1031277808 /nfs/dbraw/zinc/27/78/08/1031277808.db2.gz FWWHHRWOAQFVKH-OAHLLOKOSA-N -1 3 318.442 3.892 20 0 DHADHM Cc1c2occ([O-])c2ccc1OCc1cncc(C(F)(F)F)c1 ZINC000871800834 1031319344 /nfs/dbraw/zinc/31/93/44/1031319344.db2.gz WUKZYNDGRXTRFO-UHFFFAOYSA-N -1 3 323.270 3.563 20 0 DHADHM C/C=C\c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000360324011 1031374712 /nfs/dbraw/zinc/37/47/12/1031374712.db2.gz JCWUONDKFNUNJZ-DJWKRKHSSA-N -1 3 304.349 3.814 20 0 DHADHM CCCOc1ncccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872029842 1031414726 /nfs/dbraw/zinc/41/47/26/1031414726.db2.gz ZFVROBGZENWLHW-GFCCVEGCSA-N -1 3 304.365 3.566 20 0 DHADHM COCC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872060333 1031454558 /nfs/dbraw/zinc/45/45/58/1031454558.db2.gz PAZDNYFBEFDXJW-GXTWGEPZSA-N -1 3 307.365 3.861 20 0 DHADHM C[C@H](NCc1cc(Cl)cc2c1OCC2)c1cccc([O-])c1F ZINC000872062174 1031456012 /nfs/dbraw/zinc/45/60/12/1031456012.db2.gz KERPAEAEAGHZSM-JTQLQIEISA-N -1 3 321.779 3.970 20 0 DHADHM CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872066453 1031463161 /nfs/dbraw/zinc/46/31/61/1031463161.db2.gz NLGAPUGWGQVJKI-HBNTYKKESA-N -1 3 306.385 3.575 20 0 DHADHM C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1F ZINC000872071435 1031467748 /nfs/dbraw/zinc/46/77/48/1031467748.db2.gz PBUUPFCFEOAFRQ-ABAIWWIYSA-N -1 3 323.795 3.959 20 0 DHADHM Nc1ccc(C(=O)OCC2CCC(F)(F)CC2)c([O-])c1Cl ZINC000845193525 1031505694 /nfs/dbraw/zinc/50/56/94/1031505694.db2.gz UDHDZEISAUNLCQ-UHFFFAOYSA-N -1 3 319.735 3.610 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCCC1CCCC1)CC2 ZINC000872166726 1031546217 /nfs/dbraw/zinc/54/62/17/1031546217.db2.gz OXONXKACRTUDDG-UHFFFAOYSA-N -1 3 317.429 3.722 20 0 DHADHM CC(C)[C@H]1N(C(=O)CCCc2ccc([O-])c(F)c2)CC12CCC2 ZINC000561000011 1031672662 /nfs/dbraw/zinc/67/26/62/1031672662.db2.gz ZQKCPLURJVRYEM-GOSISDBHSA-N -1 3 319.420 3.891 20 0 DHADHM COc1ccc([C@H]2CCN(Cc3c(F)cc([O-])cc3F)C2)cc1 ZINC001144561718 1031714376 /nfs/dbraw/zinc/71/43/76/1031714376.db2.gz MUDYHYCXVSRSPX-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM [O-]c1cccc(CN2CCC(c3ccncc3)CC2)c1Cl ZINC000293981700 1031735027 /nfs/dbraw/zinc/73/50/27/1031735027.db2.gz RHKNCEHYSBYZOZ-UHFFFAOYSA-N -1 3 302.805 3.820 20 0 DHADHM CCOc1cccc(F)c1CNCc1ccc([O-])c(Cl)c1 ZINC000873180160 1031744825 /nfs/dbraw/zinc/74/48/25/1031744825.db2.gz YJVLPWRIZFSCOC-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ncccc1-c1ccccc1 ZINC001144615823 1031765495 /nfs/dbraw/zinc/76/54/95/1031765495.db2.gz DBMZJLXUBDNOFW-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)c2ccsc2n1 ZINC001144622637 1031771051 /nfs/dbraw/zinc/77/10/51/1031771051.db2.gz AEFKJJPENXYETJ-UHFFFAOYSA-N -1 3 316.357 3.631 20 0 DHADHM COc1cccc([C@@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144664149 1031799815 /nfs/dbraw/zinc/79/98/15/1031799815.db2.gz XILHAPLPNOUQHC-CYBMUJFWSA-N -1 3 319.351 3.669 20 0 DHADHM CCOCc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000294101264 1031803189 /nfs/dbraw/zinc/80/31/89/1031803189.db2.gz MILXUNJMEXBHAY-UHFFFAOYSA-N -1 3 305.805 3.872 20 0 DHADHM CN(CCc1ccccc1Cl)Cc1cc(F)c([O-])cc1F ZINC001144658210 1031813879 /nfs/dbraw/zinc/81/38/79/1031813879.db2.gz UKRZNQXFJLZIDC-UHFFFAOYSA-N -1 3 311.759 3.998 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(Cc3ccncc3)CC2)cc1F ZINC001144659468 1031814750 /nfs/dbraw/zinc/81/47/50/1031814750.db2.gz JWYDMBSWRCCOSC-UHFFFAOYSA-N -1 3 318.367 3.520 20 0 DHADHM O=C([O-])c1ccsc1CN1CCSc2ccccc2C1 ZINC001144680460 1031826924 /nfs/dbraw/zinc/82/69/24/1031826924.db2.gz OGRHKGLUTTTZGA-UHFFFAOYSA-N -1 3 305.424 3.554 20 0 DHADHM CCC[C@H](CC)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000873506908 1031852466 /nfs/dbraw/zinc/85/24/66/1031852466.db2.gz VXXJKTFRQMRTBN-ZDUSSCGKSA-N -1 3 314.385 3.889 20 0 DHADHM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1c([O-])cccc1Cl ZINC000897846896 1031855709 /nfs/dbraw/zinc/85/57/09/1031855709.db2.gz OXOGQQKOLQJRMU-LLVKDONJSA-N -1 3 309.793 3.724 20 0 DHADHM CSc1cccnc1[N-]C(=O)c1ccnc(Cl)c1Cl ZINC001144820197 1031984990 /nfs/dbraw/zinc/98/49/90/1031984990.db2.gz DJDIQNROARVDRG-UHFFFAOYSA-N -1 3 314.197 3.758 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC000846579596 1032018695 /nfs/dbraw/zinc/01/86/95/1032018695.db2.gz VKBIVGLYGOBDBU-MRXNPFEDSA-N -1 3 309.356 3.777 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846580981 1032021536 /nfs/dbraw/zinc/02/15/36/1032021536.db2.gz CFBFSAOAJQUSOZ-QGZVFWFLSA-N -1 3 317.335 3.807 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000105389881 1032034543 /nfs/dbraw/zinc/03/45/43/1032034543.db2.gz WFSVNPANRNOPOF-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM CC(C)C1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000477941703 1033379694 /nfs/dbraw/zinc/37/96/94/1033379694.db2.gz CEUWHNFEQLTHLJ-UHFFFAOYSA-N -1 3 308.397 3.545 20 0 DHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000151444359 1033450889 /nfs/dbraw/zinc/45/08/89/1033450889.db2.gz MXFCAGWCNIWAQK-QMMMGPOBSA-N -1 3 308.765 3.783 20 0 DHADHM C[C@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)[C@@H]1c1ccccc1 ZINC000878166342 1033608916 /nfs/dbraw/zinc/60/89/16/1033608916.db2.gz RRBGRIAQMFPQQN-UGSOOPFHSA-N -1 3 321.380 3.635 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1c(F)cccc1F ZINC001173858562 1033891315 /nfs/dbraw/zinc/89/13/15/1033891315.db2.gz KXIMJJNKVKLHKX-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM C[C@H](CCc1ccccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174209370 1033912685 /nfs/dbraw/zinc/91/26/85/1033912685.db2.gz AJENFXGFXAZVCP-GFCCVEGCSA-N -1 3 319.351 3.556 20 0 DHADHM COc1cc(Nc2cccc(Cl)c2[O-])cc(OC)c1OC ZINC001173903672 1033934876 /nfs/dbraw/zinc/93/48/76/1033934876.db2.gz FPPOXIIKHWFFJQ-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 ZINC000554152414 1033998474 /nfs/dbraw/zinc/99/84/74/1033998474.db2.gz SHCMCWZMAACWLE-QGZVFWFLSA-N -1 3 309.409 3.974 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(F)c2C)CC)n1 ZINC000863189788 1034019008 /nfs/dbraw/zinc/01/90/08/1034019008.db2.gz GWEXIKBQTJGYBA-XFXZXTDPSA-N -1 3 301.365 3.928 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1c[nH]c2ccccc21 ZINC000023345926 1034027053 /nfs/dbraw/zinc/02/70/53/1034027053.db2.gz MCLVFXIINUJLTL-UHFFFAOYSA-N -1 3 324.361 3.750 20 0 DHADHM COc1cccc(Nc2cccc([O-])c2Br)c1OC ZINC001174018710 1034073913 /nfs/dbraw/zinc/07/39/13/1034073913.db2.gz QMBLSCFNSISQBA-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000176627477 1034099882 /nfs/dbraw/zinc/09/98/82/1034099882.db2.gz UNZCAYNRUHXBIK-UHFFFAOYSA-N -1 3 324.475 3.842 20 0 DHADHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccc(F)cc1 ZINC000898576798 1034115789 /nfs/dbraw/zinc/11/57/89/1034115789.db2.gz SNIBAVJNDYAINI-KRWDZBQOSA-N -1 3 315.344 3.525 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc(F)c(F)c1F ZINC000554362482 1034116685 /nfs/dbraw/zinc/11/66/85/1034116685.db2.gz PLVCOLZAOLNYRD-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC(C)(C)CC(F)(F)F)c1[O-] ZINC000879988633 1034173842 /nfs/dbraw/zinc/17/38/42/1034173842.db2.gz GBZBBPDMDVWSAX-UHFFFAOYSA-N -1 3 317.307 3.902 20 0 DHADHM CCCCNC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174193260 1034212852 /nfs/dbraw/zinc/21/28/52/1034212852.db2.gz XCJDPZWLASPXAI-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM [O-]c1cccc2sc(Nc3cccc(-n4cccn4)c3)nc21 ZINC001174299113 1034255382 /nfs/dbraw/zinc/25/53/82/1034255382.db2.gz CWWXSRASACHGOE-UHFFFAOYSA-N -1 3 308.366 3.931 20 0 DHADHM Cc1c(-c2ccccc2)sc2[n-]c([C@@H]3CCCO3)nc(=O)c12 ZINC000178984545 1034276202 /nfs/dbraw/zinc/27/62/02/1034276202.db2.gz VYHALULCHFVXDA-LBPRGKRZSA-N -1 3 312.394 3.812 20 0 DHADHM O=c1cc(CSCc2ccc(Cl)nc2)nc(C2CC2)[n-]1 ZINC000842194094 1034319104 /nfs/dbraw/zinc/31/91/04/1034319104.db2.gz RUJCLYBDKCBHHD-UHFFFAOYSA-N -1 3 307.806 3.541 20 0 DHADHM Cc1cccc(CO[N-]C(=O)CCCc2ccc(Cl)cc2)n1 ZINC000898935917 1034336743 /nfs/dbraw/zinc/33/67/43/1034336743.db2.gz JNLVASNLTKKNFG-UHFFFAOYSA-N -1 3 318.804 3.614 20 0 DHADHM [O-]c1cccnc1CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000554861160 1034370675 /nfs/dbraw/zinc/37/06/75/1034370675.db2.gz JVDJLEPARPTJHX-GOSISDBHSA-N -1 3 322.383 4.000 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(Cl)nc1 ZINC000864527696 1034377560 /nfs/dbraw/zinc/37/75/60/1034377560.db2.gz HICMSVUWFRQUFO-OAHLLOKOSA-N -1 3 318.804 3.603 20 0 DHADHM CC(C)(C)OC(=O)N1CC=C(Nc2cccc([O-])c2Cl)CC1 ZINC001174441113 1034384222 /nfs/dbraw/zinc/38/42/22/1034384222.db2.gz VWVASBFQDHSMLK-UHFFFAOYSA-N -1 3 324.808 3.982 20 0 DHADHM CC(C)COC[C@@H](NCc1cc([O-])cc(F)c1)c1ccco1 ZINC000185506417 1034553810 /nfs/dbraw/zinc/55/38/10/1034553810.db2.gz PLEFPBXWNHTUFY-MRXNPFEDSA-N -1 3 307.365 3.628 20 0 DHADHM COc1c(F)ccc(F)c1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001174660723 1034559486 /nfs/dbraw/zinc/55/94/86/1034559486.db2.gz VWKCBDRKBVLWAH-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000899376828 1034609340 /nfs/dbraw/zinc/60/93/40/1034609340.db2.gz RAPPZKLUMQTEQP-DJJJIMSYSA-N -1 3 313.372 3.684 20 0 DHADHM CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC(F)(F)C1 ZINC000881525953 1034618833 /nfs/dbraw/zinc/61/88/33/1034618833.db2.gz NZTVOJRZIYUCHR-UHFFFAOYSA-N -1 3 305.324 3.711 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc(OC(F)F)c2)c1 ZINC001174877780 1034660023 /nfs/dbraw/zinc/66/00/23/1034660023.db2.gz BTEVXRFRPHKTLF-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](CF)C1 ZINC000881668707 1034672318 /nfs/dbraw/zinc/67/23/18/1034672318.db2.gz QVBIWFOTONVBRE-ZDUSSCGKSA-N -1 3 315.344 3.616 20 0 DHADHM COc1c(C)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C ZINC001174998204 1034725198 /nfs/dbraw/zinc/72/51/98/1034725198.db2.gz UJCGMZIRGMNJDA-UHFFFAOYSA-N -1 3 309.369 3.947 20 0 DHADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001175067746 1034756362 /nfs/dbraw/zinc/75/63/62/1034756362.db2.gz KQMLDKUXOOVSCJ-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccc3ccccc3c1)C2 ZINC001175069291 1034765319 /nfs/dbraw/zinc/76/53/19/1034765319.db2.gz CSNXDKBKEOFOGH-LBPRGKRZSA-N -1 3 305.381 3.721 20 0 DHADHM COCCCOc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099950 1034782585 /nfs/dbraw/zinc/78/25/85/1034782585.db2.gz INNZOSXUMFVRJY-UHFFFAOYSA-N -1 3 309.312 3.829 20 0 DHADHM CCOC(=O)CCc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102362 1034784030 /nfs/dbraw/zinc/78/40/30/1034784030.db2.gz KFSXLMUOLBTWMB-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM COc1cc(Nc2cccc([O-])c2Br)cc(OC)c1 ZINC001175109242 1034788506 /nfs/dbraw/zinc/78/85/06/1034788506.db2.gz GCXUWUDKNGZWQW-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM Nc1c(F)c(F)c(Nc2c(F)cc([O-])cc2F)c(F)c1F ZINC001175098056 1034812977 /nfs/dbraw/zinc/81/29/77/1034812977.db2.gz WVOZOFVYXDBQNT-UHFFFAOYSA-N -1 3 308.181 3.553 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2c(F)cccc2Cl)n1 ZINC000192763464 1034818069 /nfs/dbraw/zinc/81/80/69/1034818069.db2.gz AYCWSPMIDKVHIP-ZJUUUORDSA-N -1 3 309.772 3.695 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1c(F)cc(F)cc1F ZINC001175144882 1034839192 /nfs/dbraw/zinc/83/91/92/1034839192.db2.gz DLXQDTAKNPJMRI-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1cc(Br)nc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175262903 1034911624 /nfs/dbraw/zinc/91/16/24/1034911624.db2.gz CAHAYTINWKBYED-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2Cc2cccc(F)c2)c1F ZINC001175263324 1034912690 /nfs/dbraw/zinc/91/26/90/1034912690.db2.gz JBMGJCUYUYXVPC-UHFFFAOYSA-N -1 3 319.286 3.798 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc3c(c2)OC(F)(F)O3)c1F ZINC001175265311 1034913862 /nfs/dbraw/zinc/91/38/62/1034913862.db2.gz LDQFBGWBFLHQMG-UHFFFAOYSA-N -1 3 301.195 3.736 20 0 DHADHM [O-]c1ccc(F)c(Nc2cncc(N3CCCCC3)c2)c1F ZINC001175266731 1034914038 /nfs/dbraw/zinc/91/40/38/1034914038.db2.gz YLSYANVSNXLYDN-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM O=C1CCCc2ccc(Nc3c(F)ccc([O-])c3F)cc2N1 ZINC001175267609 1034914199 /nfs/dbraw/zinc/91/41/99/1034914199.db2.gz CKITTYGHJHZDOW-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM COC(=O)CCCc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267810 1034914531 /nfs/dbraw/zinc/91/45/31/1034914531.db2.gz IGGQDADFUUKNDM-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM Nc1cc(Br)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270369 1034916185 /nfs/dbraw/zinc/91/61/85/1034916185.db2.gz YUSHLBJASMCJEJ-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM COC(=O)[C@@H]1CCc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175270901 1034916704 /nfs/dbraw/zinc/91/67/04/1034916704.db2.gz NLZQZQIEEZLIJM-GFCCVEGCSA-N -1 3 319.307 3.617 20 0 DHADHM CC1(C)Cc2c(Nc3c(F)ccc([O-])c3F)cccc2NC1=O ZINC001175271098 1034918303 /nfs/dbraw/zinc/91/83/03/1034918303.db2.gz RUIMNMZEOFKBMW-UHFFFAOYSA-N -1 3 318.323 3.935 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)CC2)c1 ZINC001175329146 1034937738 /nfs/dbraw/zinc/93/77/38/1034937738.db2.gz IEBLAJNVCPZALF-MRXNPFEDSA-N -1 3 301.430 3.997 20 0 DHADHM Clc1ccc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001175422323 1034976260 /nfs/dbraw/zinc/97/62/60/1034976260.db2.gz JVNAHOBCYUMPNU-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1ccc(-c2ccncc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175424899 1034977664 /nfs/dbraw/zinc/97/76/64/1034977664.db2.gz HPMQOINETNLEAA-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc2scnc21 ZINC001175432052 1034980479 /nfs/dbraw/zinc/98/04/79/1034980479.db2.gz RILNVHDZBHVUGD-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Clc1ccc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175432211 1034981205 /nfs/dbraw/zinc/98/12/05/1034981205.db2.gz KGLFISRUPFAVBP-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001175431514 1034981382 /nfs/dbraw/zinc/98/13/82/1034981382.db2.gz GPLKWFZMRPEBGF-UHFFFAOYSA-N -1 3 305.316 3.903 20 0 DHADHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1C(C)C ZINC001175433474 1034983004 /nfs/dbraw/zinc/98/30/04/1034983004.db2.gz YCAPMGXRJWQUKH-UHFFFAOYSA-N -1 3 309.373 3.742 20 0 DHADHM O=C([O-])c1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175506085 1035017224 /nfs/dbraw/zinc/01/72/24/1035017224.db2.gz NJXHHPWUGUSWNN-UHFFFAOYSA-N -1 3 308.381 3.587 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1ccc(OC2CCOCC2)nc1 ZINC001175728070 1035095189 /nfs/dbraw/zinc/09/51/89/1035095189.db2.gz HCVODCRHPIUAET-UHFFFAOYSA-N -1 3 320.776 3.742 20 0 DHADHM COC(=O)C1(c2ccc(Nc3cccc([O-])c3Cl)cc2)CC1 ZINC001175921287 1035163347 /nfs/dbraw/zinc/16/33/47/1035163347.db2.gz UTNOXQCGOAKFSR-UHFFFAOYSA-N -1 3 317.772 3.994 20 0 DHADHM CCc1ccc([C@@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)cc1 ZINC000483446588 1035270164 /nfs/dbraw/zinc/27/01/64/1035270164.db2.gz XOFIBDVLECDSOT-IBGZPJMESA-N -1 3 315.388 3.667 20 0 DHADHM Cc1nnc([N-]c2ccc(C(F)(F)F)cc2OC(C)C)o1 ZINC001176597169 1035300334 /nfs/dbraw/zinc/30/03/34/1035300334.db2.gz GWNLGTPTIFQBPD-UHFFFAOYSA-N -1 3 301.268 3.928 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC001177036561 1035341489 /nfs/dbraw/zinc/34/14/89/1035341489.db2.gz PNMSSKPVAWAKEX-SNVBAGLBSA-N -1 3 324.302 3.605 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2COC(C)(C)C)c([O-])c1 ZINC001177439061 1035372484 /nfs/dbraw/zinc/37/24/84/1035372484.db2.gz ACWYQEDISFULOD-HNNXBMFYSA-N -1 3 319.445 3.935 20 0 DHADHM CCO[C@@H](c1noc(-c2cc(OC)ccc2[O-])n1)C1CCCC1 ZINC000904144095 1035376044 /nfs/dbraw/zinc/37/60/44/1035376044.db2.gz VZSASTUHXYNYLE-OAHLLOKOSA-N -1 3 318.373 3.719 20 0 DHADHM CC(C)n1cc(NC(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904197475 1035384254 /nfs/dbraw/zinc/38/42/54/1035384254.db2.gz DVJZXGSNYWOBGF-UHFFFAOYSA-N -1 3 308.769 3.541 20 0 DHADHM O=C(Nc1cnn(C2CCCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000904205368 1035385472 /nfs/dbraw/zinc/38/54/72/1035385472.db2.gz JTYQOLAQWAJBHX-UHFFFAOYSA-N -1 3 318.352 3.561 20 0 DHADHM Cc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)ccc1F ZINC000904397658 1035412182 /nfs/dbraw/zinc/41/21/82/1035412182.db2.gz FLXQDTQABHKPPU-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3ccccc3Cl)no2)cc1F ZINC000904567140 1035429645 /nfs/dbraw/zinc/42/96/45/1035429645.db2.gz DSZQMQSVEHTSSZ-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM [O-]c1cccc(CNc2ccc3[nH]cnc3c2)c1Br ZINC001178688622 1035442899 /nfs/dbraw/zinc/44/28/99/1035442899.db2.gz LUQUEDZUEHFZMD-UHFFFAOYSA-N -1 3 318.174 3.643 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC001178804852 1035448279 /nfs/dbraw/zinc/44/82/79/1035448279.db2.gz OGVPVYAQSJBHIR-OAHLLOKOSA-N -1 3 316.744 3.502 20 0 DHADHM CCCC[C@H](CC)CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183632 1035466223 /nfs/dbraw/zinc/46/62/23/1035466223.db2.gz WDKJUUWTHHGWGF-ZJUUUORDSA-N -1 3 320.359 3.607 20 0 DHADHM O=c1ccn(-c2ccc(NCc3ccc4[nH]ccc4c3)cc2)[n-]1 ZINC001179308203 1035472455 /nfs/dbraw/zinc/47/24/55/1035472455.db2.gz OIYMZWBHQPBTSK-UHFFFAOYSA-N -1 3 304.353 3.671 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@]12C[C@H]1CCCC2 ZINC000927432869 1035486659 /nfs/dbraw/zinc/48/66/59/1035486659.db2.gz FVIBTTOREHFXOT-KDOFPFPSSA-N -1 3 305.393 3.551 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)N[C@@H]1CCc2ccccc21 ZINC001192995123 1035525989 /nfs/dbraw/zinc/52/59/89/1035525989.db2.gz ZTUUQBAYIOVQMG-OAHLLOKOSA-N -1 3 302.761 3.855 20 0 DHADHM O=C(Cc1ccccc1Oc1ccccc1)Nc1cncc([O-])c1 ZINC001179873044 1035528878 /nfs/dbraw/zinc/52/88/78/1035528878.db2.gz ADNNCWNYLWAFNU-UHFFFAOYSA-N -1 3 320.348 3.761 20 0 DHADHM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000152588462 1035562424 /nfs/dbraw/zinc/56/24/24/1035562424.db2.gz BRFPSSGTITWTLR-SECBINFHSA-N -1 3 308.790 3.560 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001193143401 1035577408 /nfs/dbraw/zinc/57/74/08/1035577408.db2.gz FELGKPWJSVTXGC-SNVBAGLBSA-N -1 3 316.332 3.617 20 0 DHADHM O=C(Cn1c2ccccc2c2ccccc21)Nc1ncccc1[O-] ZINC001180075187 1035582041 /nfs/dbraw/zinc/58/20/41/1035582041.db2.gz IVBUCRSBCCGIQM-UHFFFAOYSA-N -1 3 317.348 3.534 20 0 DHADHM CN(Cc1cccc(Br)c1)Cc1cccc([O-])c1F ZINC001233049941 1035623928 /nfs/dbraw/zinc/62/39/28/1035623928.db2.gz JIWODNZMBIIDMJ-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM C[C@@H](CCCC(C)(C)C(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000905732191 1035634149 /nfs/dbraw/zinc/63/41/49/1035634149.db2.gz XXLBVIJTDDUZQK-LBPRGKRZSA-N -1 3 324.490 3.781 20 0 DHADHM CC(C)(C)OC(=O)c1ccc(NC(=O)OC2CCCC2)c([O-])c1 ZINC001193566452 1035666711 /nfs/dbraw/zinc/66/67/11/1035666711.db2.gz GIOXEJTWRIADRL-UHFFFAOYSA-N -1 3 321.373 3.839 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000191350867 1035684411 /nfs/dbraw/zinc/68/44/11/1035684411.db2.gz HKBNDOCBIFGWKV-UHFFFAOYSA-N -1 3 307.444 3.810 20 0 DHADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000485499116 1035691116 /nfs/dbraw/zinc/69/11/16/1035691116.db2.gz DDDYTDJAEPCWKM-SECBINFHSA-N -1 3 319.744 3.517 20 0 DHADHM O=C(COc1cccc2ccccc21)Nc1ccc(F)c([O-])c1 ZINC001180534792 1035704909 /nfs/dbraw/zinc/70/49/09/1035704909.db2.gz HMTJUBPAIXPEHQ-UHFFFAOYSA-N -1 3 311.312 3.702 20 0 DHADHM O=C(Nc1cnc2occc2c1)c1ccc([O-])cc1C(F)(F)F ZINC001193735569 1035710045 /nfs/dbraw/zinc/71/00/45/1035710045.db2.gz QOMSZDXHUIJXGS-UHFFFAOYSA-N -1 3 322.242 3.805 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(O)cc1C(F)(F)F ZINC001193746704 1035727245 /nfs/dbraw/zinc/72/72/45/1035727245.db2.gz YFGRREOBYSYZSN-UHFFFAOYSA-N -1 3 315.222 3.508 20 0 DHADHM O=C(Nc1cccc2c1COC2)c1ccc([O-])cc1C(F)(F)F ZINC001193747652 1035730419 /nfs/dbraw/zinc/73/04/19/1035730419.db2.gz MEGFVDBRCSJSLD-UHFFFAOYSA-N -1 3 323.270 3.694 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](C)c1cccc(Cl)c1F ZINC001193937456 1035765571 /nfs/dbraw/zinc/76/55/71/1035765571.db2.gz IBSLAVDNLXBTDX-SECBINFHSA-N -1 3 323.751 3.690 20 0 DHADHM Cc1cc(NC(=O)c2c(C)cc(O)cc2[O-])c2ccsc2n1 ZINC001193922530 1035772135 /nfs/dbraw/zinc/77/21/35/1035772135.db2.gz KEKUIDXOOJSYBJ-UHFFFAOYSA-N -1 3 314.366 3.577 20 0 DHADHM CC(C)(C(=O)Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC001180880573 1035781754 /nfs/dbraw/zinc/78/17/54/1035781754.db2.gz ONYRRGGGIIHUCX-UHFFFAOYSA-N -1 3 324.302 3.722 20 0 DHADHM CSc1ncc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1C ZINC001194332490 1035914645 /nfs/dbraw/zinc/91/46/45/1035914645.db2.gz SBXGEKUFMZFWMG-UHFFFAOYSA-N -1 3 308.790 3.723 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC000539883297 1035919729 /nfs/dbraw/zinc/91/97/29/1035919729.db2.gz OMBQYMDFZRBPRF-UHFFFAOYSA-N -1 3 314.360 3.920 20 0 DHADHM CCc1cccc(C(=O)N(CCC(F)(F)F)CC2CC2)c1[O-] ZINC000539881854 1035920389 /nfs/dbraw/zinc/92/03/89/1035920389.db2.gz JAEDUSSTAMLYSB-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1F ZINC001194642735 1035977534 /nfs/dbraw/zinc/97/75/34/1035977534.db2.gz MWCCVZLAWFMBDD-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM O=C(Nc1cc2ccccc2cc1O)c1cnc(C(F)(F)F)[n-]1 ZINC001194782407 1036017583 /nfs/dbraw/zinc/01/75/83/1036017583.db2.gz RKSTUROKFKZELZ-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C(Nc1cc2ccccc2cc1O)c1c[n-]c(C(F)(F)F)n1 ZINC001194782407 1036017602 /nfs/dbraw/zinc/01/76/02/1036017602.db2.gz RKSTUROKFKZELZ-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1[nH]c2c(cccc2NC(=O)c2cnc(C(F)(F)F)[n-]2)c1C ZINC001194783497 1036018782 /nfs/dbraw/zinc/01/87/82/1036018782.db2.gz OTBAGMNYYBXNQQ-UHFFFAOYSA-N -1 3 322.290 3.779 20 0 DHADHM CC(C)CCOC(=O)Nc1c([O-])cccc1Br ZINC001194872031 1036056503 /nfs/dbraw/zinc/05/65/03/1036056503.db2.gz SABVAEJRJIOBOX-UHFFFAOYSA-N -1 3 302.168 3.749 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(F)c([O-])c1 ZINC001182147636 1036108707 /nfs/dbraw/zinc/10/87/07/1036108707.db2.gz DMPXXZDFJZTPLI-HACGYAERSA-N -1 3 323.408 3.947 20 0 DHADHM CC(C)(C)c1cnc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000486076365 1036110896 /nfs/dbraw/zinc/11/08/96/1036110896.db2.gz KYFQEQQMQZUPFI-VOTSOKGWSA-N -1 3 301.415 3.984 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCC(F)(F)F)n1 ZINC000486126998 1036141519 /nfs/dbraw/zinc/14/15/19/1036141519.db2.gz UWLFJGYONQVXBX-VOTSOKGWSA-N -1 3 310.275 3.602 20 0 DHADHM CC[C@H](C)OC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001195133911 1036148491 /nfs/dbraw/zinc/14/84/91/1036148491.db2.gz ZYIRVZAXDBWUOG-JTQLQIEISA-N -1 3 309.362 3.695 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000486176576 1036157797 /nfs/dbraw/zinc/15/77/97/1036157797.db2.gz WHDAEKUHWCCCPE-HWKANZROSA-N -1 3 312.703 3.916 20 0 DHADHM COc1ccccc1OC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001195221175 1036185974 /nfs/dbraw/zinc/18/59/74/1036185974.db2.gz PLTRNVKCQQYRHH-UHFFFAOYSA-N -1 3 316.338 3.621 20 0 DHADHM CC(C)CO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000153294825 1036212921 /nfs/dbraw/zinc/21/29/21/1036212921.db2.gz FYPBBCBYFSJESQ-UHFFFAOYSA-N -1 3 324.229 3.722 20 0 DHADHM O=C(OCc1ccnc(Cl)c1)c1cc(Cl)c(Cl)[n-]1 ZINC000101964196 1036272973 /nfs/dbraw/zinc/27/29/73/1036272973.db2.gz WGTAIELULDBNET-UHFFFAOYSA-N -1 3 305.548 3.727 20 0 DHADHM O=C(C[C@H]1CCc2ccc(F)cc21)Nc1ccc(F)c([O-])c1 ZINC001182593413 1036400156 /nfs/dbraw/zinc/40/01/56/1036400156.db2.gz OUXAVANJUXXWOP-LLVKDONJSA-N -1 3 303.308 3.729 20 0 DHADHM CCOc1cc(CNc2cc3cc[nH]c3cn2)cc(Cl)c1[O-] ZINC001182625286 1036404566 /nfs/dbraw/zinc/40/45/66/1036404566.db2.gz OCEKBKPEKNXODG-UHFFFAOYSA-N -1 3 317.776 3.933 20 0 DHADHM CC(C)c1noc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000914891601 1036441263 /nfs/dbraw/zinc/44/12/63/1036441263.db2.gz MZTGJLQAFMKRMZ-QMMMGPOBSA-N -1 3 305.359 3.654 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(F)cc1C ZINC001196127192 1036443573 /nfs/dbraw/zinc/44/35/73/1036443573.db2.gz VQLMTYJKKNLRND-UHFFFAOYSA-N -1 3 318.373 3.851 20 0 DHADHM CC1(C)CC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000541944006 1036468070 /nfs/dbraw/zinc/46/80/70/1036468070.db2.gz KMIPTOVSXMAQKN-VIFPVBQESA-N -1 3 312.207 3.920 20 0 DHADHM CCOc1ccc(CCCC(=O)[N-]OC(C)(C)C)cc1OCC ZINC001183029015 1036502000 /nfs/dbraw/zinc/50/20/00/1036502000.db2.gz GZOPMZXFFDXBOX-UHFFFAOYSA-N -1 3 323.433 3.653 20 0 DHADHM [O-]c1cccc(O[C@@H]2Cc3cccc(Br)c3C2)c1F ZINC001233870388 1036518229 /nfs/dbraw/zinc/51/82/29/1036518229.db2.gz CDDDCXHHZWUMRG-SNVBAGLBSA-N -1 3 323.161 3.840 20 0 DHADHM CC(=O)c1ccc(C(=O)N(c2ccccc2)C2CCC2)cc1[O-] ZINC000913673804 1036601003 /nfs/dbraw/zinc/60/10/03/1036601003.db2.gz QTACZNGWIRGXIX-UHFFFAOYSA-N -1 3 309.365 3.794 20 0 DHADHM [O-]c1cccc(F)c1NC(=S)NCc1ccccc1Cl ZINC001196825388 1036628899 /nfs/dbraw/zinc/62/88/99/1036628899.db2.gz VDZLJGXTQRQJPC-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H](F)C2)c([O-])c1 ZINC001183763048 1036662392 /nfs/dbraw/zinc/66/23/92/1036662392.db2.gz HIXGHHNUQGKDGR-STQMWFEESA-N -1 3 309.381 3.582 20 0 DHADHM COc1ccc(C)cc1/C=C\C(=O)Nc1cccc([O-])c1F ZINC000492301011 1036812811 /nfs/dbraw/zinc/81/28/11/1036812811.db2.gz SNBOEFYBPJUVMN-CLFYSBASSA-N -1 3 301.317 3.500 20 0 DHADHM C[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001184510845 1036876579 /nfs/dbraw/zinc/87/65/79/1036876579.db2.gz NPXZZZZWTAFSBH-ZJUUUORDSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1ncc(NC(=O)Nc2c(C)cccc2C(C)(C)C)c(=O)[n-]1 ZINC001184584089 1036898245 /nfs/dbraw/zinc/89/82/45/1036898245.db2.gz ILHQTLRLNYFSLY-UHFFFAOYSA-N -1 3 314.389 3.741 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(O)cc2OC(C)C)c1[O-] ZINC000762698036 1036913868 /nfs/dbraw/zinc/91/38/68/1036913868.db2.gz RXVOJUFOZCRTPP-UHFFFAOYSA-N -1 3 315.369 3.700 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccccc3s2)n1 ZINC000155860511 1036986679 /nfs/dbraw/zinc/98/66/79/1036986679.db2.gz RONKLOLXLWFWHV-SECBINFHSA-N -1 3 303.412 3.954 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(F)c(F)c1 ZINC001185098212 1037024697 /nfs/dbraw/zinc/02/46/97/1037024697.db2.gz SYXCKCIEGBVVBM-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM Cc1ccc(CO[N-]C(=O)CCOc2ccccc2)c(Cl)c1 ZINC000774820061 1037029343 /nfs/dbraw/zinc/02/93/43/1037029343.db2.gz UPYJYVMNOKBLJD-UHFFFAOYSA-N -1 3 319.788 3.665 20 0 DHADHM O=C([N-]c1cc(F)ccc1F)c1c(F)c(F)cc(F)c1F ZINC000175591433 1037059560 /nfs/dbraw/zinc/05/95/60/1037059560.db2.gz MKAZDJVVPLHLTM-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc2occc2c1 ZINC001198816675 1037138184 /nfs/dbraw/zinc/13/81/84/1037138184.db2.gz LRMLNEOONVSYKG-UHFFFAOYSA-N -1 3 309.293 3.512 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc2c(c1)CCCC2=O ZINC001198908241 1037169510 /nfs/dbraw/zinc/16/95/10/1037169510.db2.gz YQVSUHGZHWMWOP-UHFFFAOYSA-N -1 3 315.756 3.817 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c(C)c1 ZINC001198941457 1037170539 /nfs/dbraw/zinc/17/05/39/1037170539.db2.gz DHEKCGGOSRNFSX-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000032588529 1037174012 /nfs/dbraw/zinc/17/40/12/1037174012.db2.gz HZQOWMNCXLDVKO-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1c(F)c(F)cc(F)c1F ZINC000177458891 1037239163 /nfs/dbraw/zinc/23/91/63/1037239163.db2.gz URHLHALMXFZPOI-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(OCC2CC2)cc1F ZINC001185860781 1037258379 /nfs/dbraw/zinc/25/83/79/1037258379.db2.gz MFPSGKFIPGSCMM-UHFFFAOYSA-N -1 3 319.307 3.712 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(Cl)n1 ZINC001199702372 1037309410 /nfs/dbraw/zinc/30/94/10/1037309410.db2.gz BAHDDSQVVNMLEF-UHFFFAOYSA-N -1 3 308.740 3.955 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C3=CCCC3)nc(=O)c2c1C ZINC000761556239 1037361326 /nfs/dbraw/zinc/36/13/26/1037361326.db2.gz MRRMXYOYZSABCT-SECBINFHSA-N -1 3 318.398 3.728 20 0 DHADHM O=C(Nc1ccc([O-])c(F)c1)N[C@@H]1CCCc2ccccc21 ZINC001186452005 1037401154 /nfs/dbraw/zinc/40/11/54/1037401154.db2.gz BDDYNRWCSPQYLC-OAHLLOKOSA-N -1 3 300.333 3.730 20 0 DHADHM CCCCc1nc(CSCc2nc(C)cc(=O)[n-]2)cs1 ZINC000763207592 1037478621 /nfs/dbraw/zinc/47/86/21/1037478621.db2.gz BMYJXERPEGKMKT-UHFFFAOYSA-N -1 3 309.460 3.723 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccn1 ZINC000074934705 1037485008 /nfs/dbraw/zinc/48/50/08/1037485008.db2.gz QBUZWJPWMHGALI-UHFFFAOYSA-N -1 3 318.442 3.797 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(C)nc3ccccc23)n1 ZINC000763211206 1037485662 /nfs/dbraw/zinc/48/56/62/1037485662.db2.gz FPMULCUUEVHMHM-UHFFFAOYSA-N -1 3 311.410 3.781 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccsc1 ZINC000055995254 1037508229 /nfs/dbraw/zinc/50/82/29/1037508229.db2.gz VJXRPHFDOAAEQT-MRXNPFEDSA-N -1 3 324.405 3.567 20 0 DHADHM CCCOc1ccc(Cl)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001201445179 1037699763 /nfs/dbraw/zinc/69/97/63/1037699763.db2.gz SVJGIRZNIZIAMQ-UHFFFAOYSA-N -1 3 320.776 3.677 20 0 DHADHM COc1cc(CNc2ccc(SC)cc2)c([N+](=O)[O-])cc1[O-] ZINC000155787323 1037734125 /nfs/dbraw/zinc/73/41/25/1037734125.db2.gz SVKSJCCWMAVKAH-UHFFFAOYSA-N -1 3 320.370 3.643 20 0 DHADHM Cc1ccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)cc1F ZINC001187958043 1037763690 /nfs/dbraw/zinc/76/36/90/1037763690.db2.gz YXLLYZMKBKXKHY-UHFFFAOYSA-N -1 3 303.215 3.785 20 0 DHADHM [O-]c1cc(F)cc(CNc2cc(F)ccc2OC(F)F)c1 ZINC000185600502 1037823656 /nfs/dbraw/zinc/82/36/56/1037823656.db2.gz HYNKVWJIEQCSAN-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM CCCCCC[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000032954376 1037836269 /nfs/dbraw/zinc/83/62/69/1037836269.db2.gz KAGVSTMKSUJMBZ-CYBMUJFWSA-N -1 3 300.402 3.617 20 0 DHADHM CCC(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000490881437 1037851563 /nfs/dbraw/zinc/85/15/63/1037851563.db2.gz SSABDPCNYVWZGX-UHFFFAOYSA-N -1 3 309.365 3.578 20 0 DHADHM COCc1oncc1C(=O)[N-]c1ccccc1SC(C)(C)C ZINC001188327120 1037869998 /nfs/dbraw/zinc/86/99/98/1037869998.db2.gz LMVMRDSNYNEVSG-UHFFFAOYSA-N -1 3 320.414 3.964 20 0 DHADHM CC[C@@H](C)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000124079232 1037879713 /nfs/dbraw/zinc/87/97/13/1037879713.db2.gz ZYIWPWIPEYABMQ-SNVBAGLBSA-N -1 3 302.399 3.949 20 0 DHADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125402409 1037933339 /nfs/dbraw/zinc/93/33/39/1037933339.db2.gz SKJSJLJBOLGSKY-JTQLQIEISA-N -1 3 319.323 3.801 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001188647084 1037944611 /nfs/dbraw/zinc/94/46/11/1037944611.db2.gz LJXGLOSGNRCXMZ-QGZVFWFLSA-N -1 3 309.409 3.796 20 0 DHADHM COc1ccc(CNC(=O)c2c(C)cccc2[O-])c2ccccc12 ZINC001188660313 1037948210 /nfs/dbraw/zinc/94/82/10/1037948210.db2.gz YRTDPJQKKZPKQO-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1Br ZINC000125717150 1037950226 /nfs/dbraw/zinc/95/02/26/1037950226.db2.gz REGYMJLRRHUCFO-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc2cccc(F)c2nc1C ZINC001188640663 1037957675 /nfs/dbraw/zinc/95/76/75/1037957675.db2.gz UXMOYVILWNCFKU-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000648987957 1037972392 /nfs/dbraw/zinc/97/23/92/1037972392.db2.gz JUCAYOSXEMXYLP-KRWDZBQOSA-N -1 3 313.372 3.731 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(Cl)cc2Cl)[n-]1 ZINC000187586907 1037981888 /nfs/dbraw/zinc/98/18/88/1037981888.db2.gz WAJUDHLHCINHBU-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)n[n-]2)o1 ZINC000916851458 1037991646 /nfs/dbraw/zinc/99/16/46/1037991646.db2.gz NYLHFLGUTVZVSI-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)[n-]n2)o1 ZINC000916851458 1037991662 /nfs/dbraw/zinc/99/16/62/1037991662.db2.gz NYLHFLGUTVZVSI-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM CCC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000916854901 1038000287 /nfs/dbraw/zinc/00/02/87/1038000287.db2.gz ILJLNYXVNBECPQ-UHFFFAOYSA-N -1 3 324.336 3.790 20 0 DHADHM CCC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000916854901 1038000310 /nfs/dbraw/zinc/00/03/10/1038000310.db2.gz ILJLNYXVNBECPQ-UHFFFAOYSA-N -1 3 324.336 3.790 20 0 DHADHM CCOc1ccccc1NC(=O)[N-]c1cc(-c2ccco2)no1 ZINC001202139358 1038060891 /nfs/dbraw/zinc/06/08/91/1038060891.db2.gz SYBNSDOICLBUCI-UHFFFAOYSA-N -1 3 313.313 3.977 20 0 DHADHM CC(C)(C)SCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000775294563 1038196864 /nfs/dbraw/zinc/19/68/64/1038196864.db2.gz MHANVSCFHNKYQG-UHFFFAOYSA-N -1 3 308.403 3.748 20 0 DHADHM CC(C)(C)SCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000775294563 1038196874 /nfs/dbraw/zinc/19/68/74/1038196874.db2.gz MHANVSCFHNKYQG-UHFFFAOYSA-N -1 3 308.403 3.748 20 0 DHADHM Cc1ccnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC001190070825 1038263851 /nfs/dbraw/zinc/26/38/51/1038263851.db2.gz PQNYFQUJYHHLAF-UHFFFAOYSA-N -1 3 313.378 3.803 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)ncc1Cl ZINC000156887428 1038360832 /nfs/dbraw/zinc/36/08/32/1038360832.db2.gz MSGSUJPUAQQBBM-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190925775 1038402034 /nfs/dbraw/zinc/40/20/34/1038402034.db2.gz GGHVTTXSVYDQAN-PHIMTYICSA-N -1 3 310.825 3.775 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(Oc2ccccc2)n1 ZINC001191142549 1038458331 /nfs/dbraw/zinc/45/83/31/1038458331.db2.gz BSLBATYNVZSHSL-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC=CCC1 ZINC001191220189 1038470143 /nfs/dbraw/zinc/47/01/43/1038470143.db2.gz GFRDDEMFQFDYFC-CYBMUJFWSA-N -1 3 320.241 3.771 20 0 DHADHM C[C@H]1CC[C@H](NC(=O)Nc2nc3c(cccc3[O-])s2)CC1 ZINC001191786529 1038547787 /nfs/dbraw/zinc/54/77/87/1038547787.db2.gz GNFIOKHVMQSWHK-MGCOHNPYSA-N -1 3 305.403 3.702 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(C1CC1)C1CC1 ZINC000628814808 1038564228 /nfs/dbraw/zinc/56/42/28/1038564228.db2.gz IJUOAHROQBONAY-UHFFFAOYSA-N -1 3 307.393 3.750 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000669356307 1038621292 /nfs/dbraw/zinc/62/12/92/1038621292.db2.gz XIVHRIPEUYMNLD-PXAZEXFGSA-N -1 3 313.422 3.947 20 0 DHADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)C1 ZINC001192338216 1038633408 /nfs/dbraw/zinc/63/34/08/1038633408.db2.gz YUSAIPJFOSIVHI-URLYPYJESA-N -1 3 321.895 3.752 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cccnc1Oc1ccccc1 ZINC001192706063 1038695116 /nfs/dbraw/zinc/69/51/16/1038695116.db2.gz INQDTGQMIBMXRX-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM O=c1[n-]c(C(F)(F)c2ccc(F)cc2)nc2cccc(F)c21 ZINC000591726256 1038969524 /nfs/dbraw/zinc/96/95/24/1038969524.db2.gz GZKJNAQEHZKNMG-UHFFFAOYSA-N -1 3 308.234 3.754 20 0 DHADHM CC(C)CCN(C)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058206446 1039020594 /nfs/dbraw/zinc/02/05/94/1039020594.db2.gz VIZIQFQBKOPJAE-UHFFFAOYSA-N -1 3 310.511 3.999 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1c(F)cccc1F ZINC000061142233 1039045624 /nfs/dbraw/zinc/04/56/24/1039045624.db2.gz ZAFVLSMZNCOOCL-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1c(F)cccc1F ZINC000061142233 1039045639 /nfs/dbraw/zinc/04/56/39/1039045639.db2.gz ZAFVLSMZNCOOCL-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000573807837 1039075198 /nfs/dbraw/zinc/07/51/98/1039075198.db2.gz CJNDLDXGVWFNKT-FZKQIMNGSA-N -1 3 314.385 3.589 20 0 DHADHM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000591981848 1039088910 /nfs/dbraw/zinc/08/89/10/1039088910.db2.gz YIAAXNLCSALLGX-INIZCTEOSA-N -1 3 311.381 3.768 20 0 DHADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1cnn[n-]1 ZINC000171230170 1039376132 /nfs/dbraw/zinc/37/61/32/1039376132.db2.gz QQHAVVYKSAYYBZ-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1c[n-]nn1 ZINC000171230170 1039376141 /nfs/dbraw/zinc/37/61/41/1039376141.db2.gz QQHAVVYKSAYYBZ-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1cn[n-]n1 ZINC000171230170 1039376157 /nfs/dbraw/zinc/37/61/57/1039376157.db2.gz QQHAVVYKSAYYBZ-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM CC[C@H](CCNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669482175 1039499240 /nfs/dbraw/zinc/49/92/40/1039499240.db2.gz SXEKCQDHRDNECV-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669059 1039947277 /nfs/dbraw/zinc/94/72/77/1039947277.db2.gz DOSORPYCVTXNKY-ZBFHGGJFSA-N -1 3 322.424 3.935 20 0 DHADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606670963 1039948248 /nfs/dbraw/zinc/94/82/48/1039948248.db2.gz JFJYQSUVXCAWIV-ZIAGYGMSSA-N -1 3 308.397 3.545 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000607616070 1040207479 /nfs/dbraw/zinc/20/74/79/1040207479.db2.gz SOUKJVHWTFMCEJ-UHFFFAOYSA-N -1 3 319.426 3.973 20 0 DHADHM CC[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)CC(F)F ZINC000596365780 1040420519 /nfs/dbraw/zinc/42/05/19/1040420519.db2.gz KOYNEFBXXRATMS-SECBINFHSA-N -1 3 302.390 3.974 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)c3ccccc3F)cc(=O)oc12 ZINC000060343051 1040577027 /nfs/dbraw/zinc/57/70/27/1040577027.db2.gz DPWYDXQFCSSYGB-UHFFFAOYSA-N -1 3 313.328 3.583 20 0 DHADHM Cn1cc(C(=O)Nc2cccc([O-])c2F)c(C2CCCCC2)n1 ZINC000534209654 1040747460 /nfs/dbraw/zinc/74/74/60/1040747460.db2.gz YWOYZRBTBTYKPU-UHFFFAOYSA-N -1 3 317.364 3.565 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nccs2)c([O-])c1 ZINC000190315372 334927909 /nfs/dbraw/zinc/92/79/09/334927909.db2.gz FEWKUKFLSNWUAD-NSHDSACASA-N -1 3 320.414 3.519 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1[O-] ZINC000078983876 185140257 /nfs/dbraw/zinc/14/02/57/185140257.db2.gz CDYSPSHQBNGIMC-HNNXBMFYSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000092429752 185317903 /nfs/dbraw/zinc/31/79/03/185317903.db2.gz SBCHINHJLBFOJI-INIZCTEOSA-N -1 3 323.392 3.578 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)c1 ZINC000005814968 181286256 /nfs/dbraw/zinc/28/62/56/181286256.db2.gz KIZIJLLLAUPLOQ-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(Cl)c1Cl ZINC000417569067 334989647 /nfs/dbraw/zinc/98/96/47/334989647.db2.gz CDROQFIXEBCKGZ-UFBFGSQYSA-N -1 3 308.230 3.788 20 0 DHADHM O=C(CC[C@H]1CCCCO1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134214620 334992777 /nfs/dbraw/zinc/99/27/77/334992777.db2.gz IYKZRZOVFYVNCJ-LLVKDONJSA-N -1 3 317.307 3.699 20 0 DHADHM Cc1ccc(F)c(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417600872 335003015 /nfs/dbraw/zinc/00/30/15/335003015.db2.gz KPFTUCWPXXKSTP-KRWDZBQOSA-N -1 3 301.361 3.830 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000417614779 335008046 /nfs/dbraw/zinc/00/80/46/335008046.db2.gz BTBDEHGUQJRVSC-AWEZNQCLSA-N -1 3 318.442 3.852 20 0 DHADHM CCc1cccc(Cl)c1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417624831 335015478 /nfs/dbraw/zinc/01/54/78/335015478.db2.gz LDZIWOCXFWNNBQ-SNVBAGLBSA-N -1 3 323.742 3.645 20 0 DHADHM O=C([O-])C[C@@H](CNCc1ccc2ccccc2c1)C(F)(F)F ZINC000417629428 335018461 /nfs/dbraw/zinc/01/84/61/335018461.db2.gz QEMGFTUANNNNOO-AWEZNQCLSA-N -1 3 311.303 3.583 20 0 DHADHM CC(C)(C)n1nc(C(=O)Nc2ccc([O-])cc2F)cc1C1CC1 ZINC000183270198 335018696 /nfs/dbraw/zinc/01/86/96/335018696.db2.gz BTBPPPDPQBYMBO-UHFFFAOYSA-N -1 3 317.364 3.613 20 0 DHADHM CCc1ccc(-c2ccc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000417623221 335018138 /nfs/dbraw/zinc/01/81/38/335018138.db2.gz PEVIQBROQNEJPJ-HZPDHXFCSA-N -1 3 311.381 3.628 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(O)cc2)no1 ZINC000320448007 335018922 /nfs/dbraw/zinc/01/89/22/335018922.db2.gz NFIHUKFUDMLXSH-UHFFFAOYSA-N -1 3 304.305 3.968 20 0 DHADHM O=C(Nc1ncccc1[O-])C1c2ccccc2Oc2ccccc21 ZINC000215656271 335021034 /nfs/dbraw/zinc/02/10/34/335021034.db2.gz BYZUYJFCNKWUFZ-UHFFFAOYSA-N -1 3 318.332 3.664 20 0 DHADHM CC(C)(C)c1cnc(CN[C@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000417635791 335021284 /nfs/dbraw/zinc/02/12/84/335021284.db2.gz WVXFYNVLOAOPDQ-STQMWFEESA-N -1 3 324.490 3.954 20 0 DHADHM CSc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636735 335021461 /nfs/dbraw/zinc/02/14/61/335021461.db2.gz YCYHGOFLIOGWAK-KGLIPLIRSA-N -1 3 319.451 3.873 20 0 DHADHM C[C@@H]([C@H](NCc1csc(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641192 335025653 /nfs/dbraw/zinc/02/56/53/335025653.db2.gz OUABPJPQPMZTRJ-LDWIPMOCSA-N -1 3 308.230 3.644 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1csc(Cl)c1Cl ZINC000417650346 335027697 /nfs/dbraw/zinc/02/76/97/335027697.db2.gz NACQWQUZPQJITF-VXNVDRBHSA-N -1 3 308.230 3.645 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000036892457 182851425 /nfs/dbraw/zinc/85/14/25/182851425.db2.gz LJZKOHAFCYRKEB-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM CC[C@H](CCNCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000417670063 335038472 /nfs/dbraw/zinc/03/84/72/335038472.db2.gz NWZCCTRXLZHCGC-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2sccc2OC)s1 ZINC000105941136 194173927 /nfs/dbraw/zinc/17/39/27/194173927.db2.gz LNLVGLAYDFYIHA-UHFFFAOYSA-N -1 3 311.432 3.764 20 0 DHADHM Cc1ccc([C@@H](C)NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000056201650 184007077 /nfs/dbraw/zinc/00/70/77/184007077.db2.gz XRQASYFZGHOGSW-CQSZACIVSA-N -1 3 323.392 3.966 20 0 DHADHM Cc1ccc([C@H](C)NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000056201651 184007087 /nfs/dbraw/zinc/00/70/87/184007087.db2.gz XRQASYFZGHOGSW-AWEZNQCLSA-N -1 3 323.392 3.966 20 0 DHADHM CCOc1cc(C)ccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000058565996 184122443 /nfs/dbraw/zinc/12/24/43/184122443.db2.gz QJTIMMYANGHBDB-UHFFFAOYSA-N -1 3 311.341 3.629 20 0 DHADHM CCOc1cc(C)ccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000058565996 184122445 /nfs/dbraw/zinc/12/24/45/184122445.db2.gz QJTIMMYANGHBDB-UHFFFAOYSA-N -1 3 311.341 3.629 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c(C)c1 ZINC000060141110 184144426 /nfs/dbraw/zinc/14/44/26/184144426.db2.gz GQXDSFVLZPZUMR-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(Oc2cccnc2)cc1 ZINC000063266399 184280140 /nfs/dbraw/zinc/28/01/40/184280140.db2.gz DVNBCHBNHNAHPO-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM Cc1cc(C(=O)N2CCC(OC3CCCCC3)CC2)ccc1[O-] ZINC000272354133 130022506 /nfs/dbraw/zinc/02/25/06/130022506.db2.gz BGFIQDWBIPRKAU-UHFFFAOYSA-N -1 3 317.429 3.655 20 0 DHADHM Cc1cc(C(=O)N(CC2CCC2)CC(F)(F)F)ccc1[O-] ZINC000272369964 130024405 /nfs/dbraw/zinc/02/44/05/130024405.db2.gz DFDCTMSWWUVIMC-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)ccc1[O-] ZINC000272594459 130045608 /nfs/dbraw/zinc/04/56/08/130045608.db2.gz JBNYUYHGOOUHQM-OCCSQVGLSA-N -1 3 315.369 3.607 20 0 DHADHM Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274340730 130227383 /nfs/dbraw/zinc/22/73/83/130227383.db2.gz DQSKECCJPURSCR-LBPRGKRZSA-N -1 3 321.380 3.731 20 0 DHADHM Cc1cc2cn[nH]c2c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274340730 130227386 /nfs/dbraw/zinc/22/73/86/130227386.db2.gz DQSKECCJPURSCR-LBPRGKRZSA-N -1 3 321.380 3.731 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1F ZINC000274416742 130232929 /nfs/dbraw/zinc/23/29/29/130232929.db2.gz WYAUNUJCMHBILC-NSHDSACASA-N -1 3 315.344 3.694 20 0 DHADHM CCc1c([N-]C(=O)c2ccc(Cl)o2)onc1C(F)(F)F ZINC000274681205 130253423 /nfs/dbraw/zinc/25/34/23/130253423.db2.gz JSRNNQOXNXOZNG-UHFFFAOYSA-N -1 3 308.643 3.755 20 0 DHADHM Cc1ccc([O-])c(CNC[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000274979481 130278269 /nfs/dbraw/zinc/27/82/69/130278269.db2.gz JQRJGYWUDKHCQV-CYBMUJFWSA-N -1 3 310.319 3.531 20 0 DHADHM Cc1cc(C(=O)N2CCC(c3ccsc3)CC2)ccc1[O-] ZINC000275263902 130301748 /nfs/dbraw/zinc/30/17/48/130301748.db2.gz KFRUCMHHCQYOPX-UHFFFAOYSA-N -1 3 301.411 3.782 20 0 DHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000285073222 131136269 /nfs/dbraw/zinc/13/62/69/131136269.db2.gz JNILGYGBMIPIPK-UHFFFAOYSA-N -1 3 308.407 3.508 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3[C@@H](C)CCC[C@@H]3C)c[n-]c12 ZINC000286080440 131219029 /nfs/dbraw/zinc/21/90/29/131219029.db2.gz JSGJJFLYLIJKRJ-RYUDHWBXSA-N -1 3 316.376 3.791 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000287246679 131271074 /nfs/dbraw/zinc/27/10/74/131271074.db2.gz STBZSUDSACCJOK-UHFFFAOYSA-N -1 3 314.385 3.752 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-n2cccc2)c(F)c1 ZINC000340313736 131379474 /nfs/dbraw/zinc/37/94/74/131379474.db2.gz OEUQZRCLBAKPHZ-UHFFFAOYSA-N -1 3 314.291 3.713 20 0 DHADHM Cc1cccc2sc([N-]C(=O)c3snnc3C3CC3)nc21 ZINC000289528845 131393555 /nfs/dbraw/zinc/39/35/55/131393555.db2.gz NAXYSUDBEPABNW-UHFFFAOYSA-N -1 3 316.411 3.586 20 0 DHADHM CCSCCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000296116146 131942529 /nfs/dbraw/zinc/94/25/29/131942529.db2.gz IMLYHRNMWSMEKL-UHFFFAOYSA-N -1 3 317.454 3.737 20 0 DHADHM Cc1nc(-c2ccccc2)sc1NC([O-])=NOCC1CC1 ZINC000297185897 132003177 /nfs/dbraw/zinc/00/31/77/132003177.db2.gz NAAROARMQCDDRT-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM Cc1nc(-c2ccccc2)sc1NC(=O)[N-]OCC1CC1 ZINC000297185897 132003178 /nfs/dbraw/zinc/00/31/78/132003178.db2.gz NAAROARMQCDDRT-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM CCOc1cc(CN(C)Cc2conc2CC)cc(Cl)c1[O-] ZINC000297487860 132018051 /nfs/dbraw/zinc/01/80/51/132018051.db2.gz SVRUYGOZNIVZJF-UHFFFAOYSA-N -1 3 324.808 3.627 20 0 DHADHM O=C([N-]OCCC(F)(F)F)Nc1ccc2c(c1)CCCC2 ZINC000297501884 132019215 /nfs/dbraw/zinc/01/92/15/132019215.db2.gz USOPLNLOPYWKPM-UHFFFAOYSA-N -1 3 302.296 3.571 20 0 DHADHM Cc1c([N-]C(=O)c2ncc(F)cc2F)onc1C1CCCCC1 ZINC000297935649 132041362 /nfs/dbraw/zinc/04/13/62/132041362.db2.gz YVMYNMYGHIBGNH-UHFFFAOYSA-N -1 3 321.327 3.956 20 0 DHADHM CC(C)c1cc(C(=O)NC2CCOCC2)c([O-])c(C(C)C)c1 ZINC000194232598 335064781 /nfs/dbraw/zinc/06/47/81/335064781.db2.gz BDHDFPXBDNTQBX-UHFFFAOYSA-N -1 3 305.418 3.548 20 0 DHADHM CCC[C@](C)(NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000340670935 132140175 /nfs/dbraw/zinc/14/01/75/132140175.db2.gz GRHJQFDZXLTVMD-INIZCTEOSA-N -1 3 322.405 3.682 20 0 DHADHM C[C@@H](CC(C)(C)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000417709565 335066827 /nfs/dbraw/zinc/06/68/27/335066827.db2.gz SYLFEXYKOHVKCT-VIFPVBQESA-N -1 3 304.217 3.972 20 0 DHADHM CCc1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)no1 ZINC000606887100 435343142 /nfs/dbraw/zinc/34/31/42/435343142.db2.gz CSDFBKFVXQQEBT-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(Cl)cc1F ZINC000127292407 331520879 /nfs/dbraw/zinc/52/08/79/331520879.db2.gz DIHXUHZLAWVCDH-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000530868084 331630946 /nfs/dbraw/zinc/63/09/46/331630946.db2.gz IULOAIBBAPLQEY-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Br)c1 ZINC000533674852 331641953 /nfs/dbraw/zinc/64/19/53/331641953.db2.gz IFBRNABBABODQA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000255436376 331741097 /nfs/dbraw/zinc/74/10/97/331741097.db2.gz YKWZFJXQCVNGOY-KHPPLWFESA-N -1 3 319.364 3.538 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000556891515 331749650 /nfs/dbraw/zinc/74/96/50/331749650.db2.gz BODLUMGCDRASFH-KRWDZBQOSA-N -1 3 309.365 3.727 20 0 DHADHM CCc1cc(C(=O)NCC(C)(C)c2cccs2)ccc1[O-] ZINC000557615429 331802738 /nfs/dbraw/zinc/80/27/38/331802738.db2.gz YJLSHFZJBJSNFV-UHFFFAOYSA-N -1 3 303.427 3.724 20 0 DHADHM CC1(C)CCc2ccccc2[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000557678870 331807925 /nfs/dbraw/zinc/80/79/25/331807925.db2.gz AJDMHWFNMYFPRN-GOSISDBHSA-N -1 3 324.424 3.550 20 0 DHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCCC1)c1cccs1 ZINC000520027864 332021448 /nfs/dbraw/zinc/02/14/48/332021448.db2.gz SXIFWGPGFWHHQJ-INIZCTEOSA-N -1 3 321.467 3.958 20 0 DHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccccc1[O-] ZINC000175085722 332022049 /nfs/dbraw/zinc/02/20/49/332022049.db2.gz YDUJPMDAEZHIQT-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM CCC(C)(C)c1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000569370914 332066949 /nfs/dbraw/zinc/06/69/49/332066949.db2.gz PQPPQJVWPSYLFN-MRXNPFEDSA-N -1 3 321.486 3.766 20 0 DHADHM CC(C)c1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000410232629 332103652 /nfs/dbraw/zinc/10/36/52/332103652.db2.gz UHMZLUQSSSMOJR-ZIAGYGMSSA-N -1 3 319.445 3.794 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(SC)cc2)c1 ZINC000410246385 332104739 /nfs/dbraw/zinc/10/47/39/332104739.db2.gz JINPZDSCTYTTSU-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000410338622 332112776 /nfs/dbraw/zinc/11/27/76/332112776.db2.gz ULKJUQSILJJGDA-UHFFFAOYSA-N -1 3 307.390 3.693 20 0 DHADHM CCc1c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccn1C ZINC000569536707 332129042 /nfs/dbraw/zinc/12/90/42/332129042.db2.gz IVCCWASGQYFQBX-UHFFFAOYSA-N -1 3 300.402 3.843 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000092518759 332132771 /nfs/dbraw/zinc/13/27/71/332132771.db2.gz UUGSGSQNQSVWOT-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC000569583027 332145672 /nfs/dbraw/zinc/14/56/72/332145672.db2.gz GLQOTZPBZXZHCL-LLVKDONJSA-N -1 3 305.399 3.648 20 0 DHADHM O=C([O-])[C@H](NCc1csc2ccccc12)c1cccc(F)c1 ZINC000426807697 332151800 /nfs/dbraw/zinc/15/18/00/332151800.db2.gz ORRXWZDUCIVFFZ-MRXNPFEDSA-N -1 3 315.369 3.956 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(C)c(F)c2)C(=O)[O-])cc1 ZINC000426809990 332152135 /nfs/dbraw/zinc/15/21/35/332152135.db2.gz HJMUHIMFZXQZMK-QGZVFWFLSA-N -1 3 301.361 3.612 20 0 DHADHM Cc1cc2[nH]c(CN[C@@H](C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000426794265 332154504 /nfs/dbraw/zinc/15/45/04/332154504.db2.gz QXVCRFFWVYSWHV-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000426799037 332155129 /nfs/dbraw/zinc/15/51/29/332155129.db2.gz HAJMUNUBHICFIG-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2C)c1 ZINC000426801090 332155153 /nfs/dbraw/zinc/15/51/53/332155153.db2.gz QAVHFQXLVGBYSB-GOSISDBHSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426803800 332155422 /nfs/dbraw/zinc/15/54/22/332155422.db2.gz PJGRJKDLGDHNJL-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1ccccc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426804964 332155474 /nfs/dbraw/zinc/15/54/74/332155474.db2.gz XRECRKGMRWMXGS-INIZCTEOSA-N -1 3 303.789 3.954 20 0 DHADHM CCc1ccc([C@@H](NCc2cc(F)ccc2C)C(=O)[O-])cc1 ZINC000426826595 332155689 /nfs/dbraw/zinc/15/56/89/332155689.db2.gz TVWHBARJEJLHOB-QGZVFWFLSA-N -1 3 301.361 3.612 20 0 DHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2c(F)cccc2F)n1 ZINC000050103138 332336212 /nfs/dbraw/zinc/33/62/12/332336212.db2.gz VYVYSAHDXONPDW-UHFFFAOYSA-N -1 3 311.719 3.784 20 0 DHADHM C[C@@H]1CC[C@H](C)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000408245921 332387785 /nfs/dbraw/zinc/38/77/85/332387785.db2.gz JMIHUGIIMDHONK-NEPJUHHUSA-N -1 3 311.385 3.702 20 0 DHADHM Cc1cc(C)c(OCC(=O)Nc2c([O-])cccc2Cl)c(C)c1 ZINC000561324285 332437343 /nfs/dbraw/zinc/43/73/43/332437343.db2.gz AXZZNZRQBJCNEY-UHFFFAOYSA-N -1 3 319.788 3.988 20 0 DHADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1Br ZINC000128701579 332502479 /nfs/dbraw/zinc/50/24/79/332502479.db2.gz IAAZDDCWJSRRKM-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000408410032 332516220 /nfs/dbraw/zinc/51/62/20/332516220.db2.gz IJSTWAFFCJKCDC-HNNXBMFYSA-N -1 3 317.429 3.737 20 0 DHADHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000162693820 332553130 /nfs/dbraw/zinc/55/31/30/332553130.db2.gz ODTCIYLCTUCJAQ-SNVBAGLBSA-N -1 3 321.364 3.562 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(C)c(OC)c2C)c1[O-] ZINC000171608395 332647654 /nfs/dbraw/zinc/64/76/54/332647654.db2.gz LVECAHIIYFLJOY-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM Cc1ccc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000580201901 333003556 /nfs/dbraw/zinc/00/35/56/333003556.db2.gz JZGUZZBQKVPDRH-QGZVFWFLSA-N -1 3 317.816 3.776 20 0 DHADHM Cc1cccc(CCNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189301298 333070324 /nfs/dbraw/zinc/07/03/24/333070324.db2.gz BENAWUKRYAURPL-UHFFFAOYSA-N -1 3 323.314 3.692 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000460445923 333088969 /nfs/dbraw/zinc/08/89/69/333088969.db2.gz FYOGBAUZXGWPNH-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1CC(F)(F)F ZINC000182053280 333149070 /nfs/dbraw/zinc/14/90/70/333149070.db2.gz XWSGKJFOTOAQSF-AATRIKPKSA-N -1 3 322.286 3.544 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)c1[O-] ZINC000364638192 333325620 /nfs/dbraw/zinc/32/56/20/333325620.db2.gz MGWYVIQGMNSNNF-TZMCWYRMSA-N -1 3 301.411 3.780 20 0 DHADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531373729 333347202 /nfs/dbraw/zinc/34/72/02/333347202.db2.gz ODTRZKBLTLHLHQ-LLVKDONJSA-N -1 3 305.324 3.878 20 0 DHADHM Cc1noc(C2CC2)c1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185187820 333369443 /nfs/dbraw/zinc/36/94/43/333369443.db2.gz OIZRADBNRKIOPI-UHFFFAOYSA-N -1 3 312.369 3.697 20 0 DHADHM Cc1oc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000521414075 333374780 /nfs/dbraw/zinc/37/47/80/333374780.db2.gz PSAXJTCUFJHWIT-BXUZGUMPSA-N -1 3 317.360 3.803 20 0 DHADHM O=C(Cc1ccccc1Cl)N1CCCc2cccc([O-])c21 ZINC000063063808 333390104 /nfs/dbraw/zinc/39/01/04/333390104.db2.gz VTSPJQIGZNSRQE-UHFFFAOYSA-N -1 3 301.773 3.568 20 0 DHADHM CCC(C)(C)[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000563146673 333396682 /nfs/dbraw/zinc/39/66/82/333396682.db2.gz JEXXQMGUXBKOOJ-GFCCVEGCSA-N -1 3 304.217 3.972 20 0 DHADHM CC(C)C[C@@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338833124 333499709 /nfs/dbraw/zinc/49/97/09/333499709.db2.gz YTGDSABFRJKBMZ-NSHDSACASA-N -1 3 315.335 3.919 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000426696824 333523581 /nfs/dbraw/zinc/52/35/81/333523581.db2.gz QPOOOMDTLVTKGQ-JHJVBQTASA-N -1 3 324.490 3.637 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000534307775 333574506 /nfs/dbraw/zinc/57/45/06/333574506.db2.gz INFGKJAHUWMNPI-CQSZACIVSA-N -1 3 315.344 3.678 20 0 DHADHM CCC[C@H](CC)S(=O)(=O)[N-]c1cn(-c2ccccc2)nc1C ZINC000563539479 333623171 /nfs/dbraw/zinc/62/31/71/333623171.db2.gz SCXSZZANURNCQF-HNNXBMFYSA-N -1 3 321.446 3.501 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000563594499 333635122 /nfs/dbraw/zinc/63/51/22/333635122.db2.gz VLZLVZULUPFGLM-KRWDZBQOSA-N -1 3 313.372 3.610 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1[O-] ZINC000412386641 333754843 /nfs/dbraw/zinc/75/48/43/333754843.db2.gz UJJLSCMKPUNHOY-GOSISDBHSA-N -1 3 303.402 3.636 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1nnc(C(C)C)s1 ZINC000413909172 333881235 /nfs/dbraw/zinc/88/12/35/333881235.db2.gz SOGKJELFDNUSMJ-UHFFFAOYSA-N -1 3 307.444 3.944 20 0 DHADHM CC(C)C(C)(C)[S@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414248952 333920372 /nfs/dbraw/zinc/92/03/72/333920372.db2.gz VVCIRVCJJWNIOA-JOCHJYFZSA-N -1 3 318.442 3.533 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436631917 333982314 /nfs/dbraw/zinc/98/23/14/333982314.db2.gz UYJWUPRAMPEAPE-UHFFFAOYSA-N -1 3 303.333 3.921 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)c([O-])c1 ZINC000436793580 333999876 /nfs/dbraw/zinc/99/98/76/333999876.db2.gz LJHULHXGBKOPEF-UHFFFAOYSA-N -1 3 316.304 3.514 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cccnc3C(F)(F)F)n2)cc1 ZINC000436872070 334013115 /nfs/dbraw/zinc/01/31/15/334013115.db2.gz PIDQDUNXMJTGHR-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM CCc1ccccc1-c1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000436887449 334015027 /nfs/dbraw/zinc/01/50/27/334015027.db2.gz JXUSTELWPFBLJP-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2noc3c2C[C@H](C)CC3)c1[O-] ZINC000436903718 334016045 /nfs/dbraw/zinc/01/60/45/334016045.db2.gz UTYKODIYDGOTTH-MRVPVSSYSA-N -1 3 320.776 3.719 20 0 DHADHM CCc1ccc(-c2ccc(CN(C)CCCC(=O)[O-])o2)cc1 ZINC000414635921 334048998 /nfs/dbraw/zinc/04/89/98/334048998.db2.gz IXXYGVHHBNHVJT-UHFFFAOYSA-N -1 3 301.386 3.806 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000414640757 334050816 /nfs/dbraw/zinc/05/08/16/334050816.db2.gz SASVBVGVRMFSCE-CQSZACIVSA-N -1 3 317.335 3.653 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2cc([O-])ccc2Cl)on1 ZINC000277601332 334089602 /nfs/dbraw/zinc/08/96/02/334089602.db2.gz GZBAJGALCRTQIH-UHFFFAOYSA-N -1 3 322.792 3.867 20 0 DHADHM [O-]c1cccc(CN[C@@H](CCCO)c2ccccc2)c1Cl ZINC000293684847 334200783 /nfs/dbraw/zinc/20/07/83/334200783.db2.gz VYYWJSLCYHKVSF-HNNXBMFYSA-N -1 3 305.805 3.649 20 0 DHADHM O=C([N-]OCC1CC1)Nc1cccc(Cl)c1Br ZINC000297699586 334243224 /nfs/dbraw/zinc/24/32/24/334243224.db2.gz HJKDJWCSDQZRJF-UHFFFAOYSA-N -1 3 319.586 3.566 20 0 DHADHM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295674698 334226548 /nfs/dbraw/zinc/22/65/48/334226548.db2.gz BOOGEGVHVZKGGO-UHFFFAOYSA-N -1 3 317.357 3.796 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000110486777 334276350 /nfs/dbraw/zinc/27/63/50/334276350.db2.gz ZKFMUWHOUQODGN-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000303003830 334299279 /nfs/dbraw/zinc/29/92/79/334299279.db2.gz YZCPDVHOYOBMJW-UHFFFAOYSA-N -1 3 324.302 3.729 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000111164883 334305490 /nfs/dbraw/zinc/30/54/90/334305490.db2.gz SXDNCPHNPVKAIW-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000112258072 334378305 /nfs/dbraw/zinc/37/83/05/334378305.db2.gz IDUGOJJMNLYFGZ-GOSISDBHSA-N -1 3 313.397 3.876 20 0 DHADHM CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000341169027 334415178 /nfs/dbraw/zinc/41/51/78/334415178.db2.gz HJDAPLASAJHWJU-QWRGUYRKSA-N -1 3 303.362 3.535 20 0 DHADHM CCc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1[O-] ZINC000341636592 334467392 /nfs/dbraw/zinc/46/73/92/334467392.db2.gz JCKOMGTZSNQRQD-UHFFFAOYSA-N -1 3 301.411 3.821 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCS[C@H]2CCCC[C@H]21 ZINC000342443300 334541851 /nfs/dbraw/zinc/54/18/51/334541851.db2.gz VDZQEOVFDNAHQT-KGLIPLIRSA-N -1 3 311.834 3.546 20 0 DHADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443561445 338454727 /nfs/dbraw/zinc/45/47/27/338454727.db2.gz AUKHJXUYBOETRR-ZANVPECISA-N -1 3 303.280 3.666 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC000416299634 334661894 /nfs/dbraw/zinc/66/18/94/334661894.db2.gz CXOXMAQZSGYPQH-KBPBESRZSA-N -1 3 305.418 3.688 20 0 DHADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000443737879 338460428 /nfs/dbraw/zinc/46/04/28/338460428.db2.gz IUTHBZPAADFMSI-VIFPVBQESA-N -1 3 310.246 3.706 20 0 DHADHM CCOCCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCCC1 ZINC000535420915 334731303 /nfs/dbraw/zinc/73/13/03/334731303.db2.gz WBHPOLKZPRSTRM-UHFFFAOYSA-N -1 3 311.809 3.971 20 0 DHADHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330390819 334777062 /nfs/dbraw/zinc/77/70/62/334777062.db2.gz FOUMWSRDVBOXSL-CJNGLKHVSA-N -1 3 305.418 3.833 20 0 DHADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCCC1)c1ccco1 ZINC000188607341 334870071 /nfs/dbraw/zinc/87/00/71/334870071.db2.gz SOZXOTSVRLGWOA-INIZCTEOSA-N -1 3 323.389 3.629 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000343927780 335202476 /nfs/dbraw/zinc/20/24/76/335202476.db2.gz ULOBJUYQSCUPKJ-UHFFFAOYSA-N -1 3 324.355 3.601 20 0 DHADHM CC(C)O[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000343889462 335203813 /nfs/dbraw/zinc/20/38/13/335203813.db2.gz QRAACRSQQYTGJG-MRXNPFEDSA-N -1 3 303.333 3.636 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000344365802 335244846 /nfs/dbraw/zinc/24/48/46/335244846.db2.gz FSVDBBBKMOPXTB-OAHLLOKOSA-N -1 3 317.820 3.735 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000344397959 335246048 /nfs/dbraw/zinc/24/60/48/335246048.db2.gz IGWKWUQDKRGIJR-INIZCTEOSA-N -1 3 315.392 3.611 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCc2occc21 ZINC000344496484 335256613 /nfs/dbraw/zinc/25/66/13/335256613.db2.gz JKIBNQDWRFLDQD-HNNXBMFYSA-N -1 3 317.360 3.641 20 0 DHADHM CC(=O)Nc1cccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000345124173 335303318 /nfs/dbraw/zinc/30/33/18/335303318.db2.gz GCRRJTWAWZMIIC-GFCCVEGCSA-N -1 3 324.380 3.505 20 0 DHADHM C[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2c([O-])cccc21 ZINC000345169145 335308583 /nfs/dbraw/zinc/30/85/83/335308583.db2.gz VWNYIPRMEPJNDU-SECBINFHSA-N -1 3 319.348 3.528 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2NCc2ccco2)n1 ZINC000345928732 335361561 /nfs/dbraw/zinc/36/15/61/335361561.db2.gz DVGZKUVHHIFYRV-UHFFFAOYSA-N -1 3 323.352 3.553 20 0 DHADHM Cc1cccnc1-c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000345941157 335362446 /nfs/dbraw/zinc/36/24/46/335362446.db2.gz WJSJINKWXLGCET-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1ccc(-c2cncc(C(=O)Nc3nc(C)ccc3[O-])c2)cc1 ZINC000345945376 335362896 /nfs/dbraw/zinc/36/28/96/335362896.db2.gz TYFQMTRVKDNCRI-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CCSCC[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345954082 335363863 /nfs/dbraw/zinc/36/38/63/335363863.db2.gz SSAMUGKAXRMLHR-LBPRGKRZSA-N -1 3 313.438 3.502 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000346001530 335368970 /nfs/dbraw/zinc/36/89/70/335368970.db2.gz WJONWHLHNMNWNN-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM CC1(C)Cc2cc(NC(=O)c3cc(-c4ccco4)[n-]n3)ccc2O1 ZINC000346015413 335369801 /nfs/dbraw/zinc/36/98/01/335369801.db2.gz KQTMLAPHFLMATM-UHFFFAOYSA-N -1 3 323.352 3.636 20 0 DHADHM CC1(C)Cc2cc(NC(=O)c3cc(-c4ccco4)n[n-]3)ccc2O1 ZINC000346015413 335369803 /nfs/dbraw/zinc/36/98/03/335369803.db2.gz KQTMLAPHFLMATM-UHFFFAOYSA-N -1 3 323.352 3.636 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc2nccnc2cc1F ZINC000346522768 335418317 /nfs/dbraw/zinc/41/83/17/335418317.db2.gz QSSIYANIEFICSC-UHFFFAOYSA-N -1 3 316.361 3.601 20 0 DHADHM Cc1ncc(CN[C@H](C)c2ccc(SC(C)C)cc2)c(=O)[n-]1 ZINC000346796795 335436415 /nfs/dbraw/zinc/43/64/15/335436415.db2.gz OBTIPWNSAHXUTL-GFCCVEGCSA-N -1 3 317.458 3.842 20 0 DHADHM Cc1ncc(CN[C@@H](c2ccccc2Cl)C(C)C)c(=O)[n-]1 ZINC000346801293 335437149 /nfs/dbraw/zinc/43/71/49/335437149.db2.gz SCAGLLFBVRMESV-OAHLLOKOSA-N -1 3 305.809 3.631 20 0 DHADHM Cc1ncc(CN[C@@H](C)c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000346812029 335443093 /nfs/dbraw/zinc/44/30/93/335443093.db2.gz VXNQJILJGJUPQL-LURJTMIESA-N -1 3 318.229 3.710 20 0 DHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1csc(=O)[n-]1 ZINC000348929324 335621888 /nfs/dbraw/zinc/62/18/88/335621888.db2.gz FUNAWZYUPOQLKO-OAHLLOKOSA-N -1 3 324.405 3.563 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncc(C(F)(F)F)c1 ZINC000349079128 335633058 /nfs/dbraw/zinc/63/30/58/335633058.db2.gz SEJZXKBOQZCCCV-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM Cc1ccc(NC(=O)[C@@H](C)Oc2cnc3ccccc3c2)c([O-])c1 ZINC000349300275 335661576 /nfs/dbraw/zinc/66/15/76/335661576.db2.gz RUHRJNOMACSTOT-CYBMUJFWSA-N -1 3 322.364 3.655 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000349607466 335684604 /nfs/dbraw/zinc/68/46/04/335684604.db2.gz CYAJGLSBSQHNHW-ROUUACIJSA-N -1 3 319.351 3.680 20 0 DHADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H](c2ccccc2)O1 ZINC000350698317 335772996 /nfs/dbraw/zinc/77/29/96/335772996.db2.gz CVPKNCCGDAWZRS-SJCJKPOMSA-N -1 3 319.351 3.632 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCC(F)F)c1 ZINC000536730572 335870104 /nfs/dbraw/zinc/87/01/04/335870104.db2.gz SFTHTHFUQIHLMH-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM Cc1nc2sccn2c1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000445639773 338504084 /nfs/dbraw/zinc/50/40/84/338504084.db2.gz MUTKRPQKWOLTQD-AATRIKPKSA-N -1 3 324.365 3.630 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC(CCC(C)C)CC2)c1 ZINC000532104874 335902720 /nfs/dbraw/zinc/90/27/20/335902720.db2.gz DTSFRQBLBSVHDS-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000520664512 336003635 /nfs/dbraw/zinc/00/36/35/336003635.db2.gz GOBZZGNYBWZZLN-LBPRGKRZSA-N -1 3 307.818 3.582 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)co1)c1nc2cccnc2s1 ZINC000351602676 336048848 /nfs/dbraw/zinc/04/88/48/336048848.db2.gz PZSDVCSIYOZGIR-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM CC(C)N(CCc1nccs1)Cc1c(F)ccc([O-])c1F ZINC000351686417 336062687 /nfs/dbraw/zinc/06/26/87/336062687.db2.gz RVOPKQDWWYTJFO-UHFFFAOYSA-N -1 3 312.385 3.580 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1occc1-c1ccccc1 ZINC000351756560 336065248 /nfs/dbraw/zinc/06/52/48/336065248.db2.gz POOHDQJNRUPCCN-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1occc1-c1ccccc1 ZINC000351756560 336065250 /nfs/dbraw/zinc/06/52/50/336065250.db2.gz POOHDQJNRUPCCN-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM CC(=O)Nc1cc(NCc2c(F)ccc([O-])c2F)ccc1C ZINC000351838963 336072318 /nfs/dbraw/zinc/07/23/18/336072318.db2.gz LWAIIHXREQXTHT-UHFFFAOYSA-N -1 3 306.312 3.549 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(Cn3cccn3)cc2)c1F ZINC000351911860 336131960 /nfs/dbraw/zinc/13/19/60/336131960.db2.gz SHJOKIDDPGBQNG-UHFFFAOYSA-N -1 3 315.323 3.527 20 0 DHADHM Cn1cc(C(=O)Nc2ccc([O-])cc2F)c(C2CCCCC2)n1 ZINC000331956377 336154351 /nfs/dbraw/zinc/15/43/51/336154351.db2.gz UMRVINDAIBSGSD-UHFFFAOYSA-N -1 3 317.364 3.565 20 0 DHADHM C[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000332130644 336159819 /nfs/dbraw/zinc/15/98/19/336159819.db2.gz JKISGHDEDZBGAD-UONOGXRCSA-N -1 3 310.397 3.821 20 0 DHADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1C1CCCCC1 ZINC000332706550 336179677 /nfs/dbraw/zinc/17/96/77/336179677.db2.gz UFVAFNUMYRCVDI-UHFFFAOYSA-N -1 3 313.401 3.963 20 0 DHADHM [O-]c1cc(F)cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000351989423 336186567 /nfs/dbraw/zinc/18/65/67/336186567.db2.gz UIPIMSCDDHJKJN-UHFFFAOYSA-N -1 3 323.371 3.697 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000352001635 336187508 /nfs/dbraw/zinc/18/75/08/336187508.db2.gz GYCLQTLBXLCZQO-KRWDZBQOSA-N -1 3 301.361 3.877 20 0 DHADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2nn[n-]c21 ZINC000526115510 336187653 /nfs/dbraw/zinc/18/76/53/336187653.db2.gz OXTCSYINHLWJCC-UHFFFAOYSA-N -1 3 307.140 3.517 20 0 DHADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2[n-]nnc21 ZINC000526115510 336187655 /nfs/dbraw/zinc/18/76/55/336187655.db2.gz OXTCSYINHLWJCC-UHFFFAOYSA-N -1 3 307.140 3.517 20 0 DHADHM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2n[n-]nc21 ZINC000526115510 336187656 /nfs/dbraw/zinc/18/76/56/336187656.db2.gz OXTCSYINHLWJCC-UHFFFAOYSA-N -1 3 307.140 3.517 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2-c2ccoc2)n1 ZINC000352111572 336195268 /nfs/dbraw/zinc/19/52/68/336195268.db2.gz LTMQOCYEEADZFW-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1c1cccnc1 ZINC000333050531 336197366 /nfs/dbraw/zinc/19/73/66/336197366.db2.gz LBTQZLWWAVFFAF-GOSISDBHSA-N -1 3 322.408 3.643 20 0 DHADHM COC(=O)c1ccc(C(=O)[N-]c2csc3ccccc23)o1 ZINC000352206214 336202702 /nfs/dbraw/zinc/20/27/02/336202702.db2.gz LLSDTAWSOATKMK-UHFFFAOYSA-N -1 3 301.323 3.533 20 0 DHADHM O=C(NCc1ccc2ncccc2c1)c1cc([O-])ccc1Cl ZINC000352232107 336204773 /nfs/dbraw/zinc/20/47/73/336204773.db2.gz UDPSMZLKIANSBB-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2ccc3ccccc3n2)c1F ZINC000352297609 336210809 /nfs/dbraw/zinc/21/08/09/336210809.db2.gz MQDLJBSSVWDPHC-UHFFFAOYSA-N -1 3 314.335 3.551 20 0 DHADHM O=C(c1c([O-])cccc1O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334015596 336215943 /nfs/dbraw/zinc/21/59/43/336215943.db2.gz YOBGXIUISGXPLF-HNNXBMFYSA-N -1 3 323.392 3.508 20 0 DHADHM CC(C)(C)C[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000352657784 336229199 /nfs/dbraw/zinc/22/91/99/336229199.db2.gz VVRRNLUICOMKIQ-CYBMUJFWSA-N -1 3 312.413 3.569 20 0 DHADHM [O-]c1ccc(F)c(CNCc2csc(-c3ccco3)n2)c1F ZINC000352687538 336230481 /nfs/dbraw/zinc/23/04/81/336230481.db2.gz YLCYPONNOZXELE-UHFFFAOYSA-N -1 3 322.336 3.677 20 0 DHADHM CCC(CC)[C@@H](CCNCc1c(F)ccc([O-])c1F)OC ZINC000352694117 336230914 /nfs/dbraw/zinc/23/09/14/336230914.db2.gz UFEALIZMUNYBHK-OAHLLOKOSA-N -1 3 301.377 3.601 20 0 DHADHM O=C1CCCc2cc(NCc3c(F)ccc([O-])c3F)ccc2N1 ZINC000352792531 336236958 /nfs/dbraw/zinc/23/69/58/336236958.db2.gz MFLGUEUCCYUBGJ-UHFFFAOYSA-N -1 3 318.323 3.557 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000527069504 336282501 /nfs/dbraw/zinc/28/25/01/336282501.db2.gz RVDKLHFQWKQNJI-UHFFFAOYSA-N -1 3 313.401 3.698 20 0 DHADHM Cc1cccnc1C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301202574 336294635 /nfs/dbraw/zinc/29/46/35/336294635.db2.gz QUCVVVAAQACAGT-UHFFFAOYSA-N -1 3 300.749 3.706 20 0 DHADHM Cc1ccc(CN(CCN(C)C)Cc2cccc([O-])c2Cl)o1 ZINC000353501469 336420908 /nfs/dbraw/zinc/42/09/08/336420908.db2.gz IQJRQAZPFSHQLQ-UHFFFAOYSA-N -1 3 322.836 3.511 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1F ZINC000353548885 336424239 /nfs/dbraw/zinc/42/42/39/336424239.db2.gz HYMBZKYWECJAOW-DYVFJYSZSA-N -1 3 319.351 3.680 20 0 DHADHM Clc1cc2cc(-c3nc(Cc4ccon4)no3)[n-]c2s1 ZINC000353838368 336443378 /nfs/dbraw/zinc/44/33/78/336443378.db2.gz BRLUUVQJXAEART-UHFFFAOYSA-N -1 3 306.734 3.512 20 0 DHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc([O-])cc1F ZINC000355929280 336528617 /nfs/dbraw/zinc/52/86/17/336528617.db2.gz QUFXXWVQCWMIJK-GFCCVEGCSA-N -1 3 324.355 3.897 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1C(F)(F)F ZINC000357343680 336581749 /nfs/dbraw/zinc/58/17/49/336581749.db2.gz GREIALYEMIEUKO-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM COc1cc(NC(=O)c2cccc([O-])c2)cc(OC)c1C(C)C ZINC000357498303 336587851 /nfs/dbraw/zinc/58/78/51/336587851.db2.gz JOKDTMVGBQQQOC-UHFFFAOYSA-N -1 3 315.369 3.785 20 0 DHADHM Cc1ccc(-c2cc(C(=O)[N-]c3cc(Cl)ccn3)on2)cc1 ZINC000358055823 336608331 /nfs/dbraw/zinc/60/83/31/336608331.db2.gz BKLARGSTYQRHLQ-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM CCc1cccnc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000359428518 336672663 /nfs/dbraw/zinc/67/26/63/336672663.db2.gz RXXBBTSEBWLFHR-UHFFFAOYSA-N -1 3 322.286 3.516 20 0 DHADHM CCc1c(C(=O)Nc2ccc([O-])cc2F)cnn1C(CC)CC ZINC000359871203 336690738 /nfs/dbraw/zinc/69/07/38/336690738.db2.gz GIBDOALSMXOEBC-UHFFFAOYSA-N -1 3 319.380 3.904 20 0 DHADHM COc1ccccc1SCc1noc(-c2ccccc2[O-])n1 ZINC000363130562 336819064 /nfs/dbraw/zinc/81/90/64/336819064.db2.gz XQPDUZGHHSQWEH-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@H](C)CC[C@@H]3CC)nc2)n1 ZINC000368468171 336845420 /nfs/dbraw/zinc/84/54/20/336845420.db2.gz UMVCQMOMGDATDL-DOMZBBRYSA-N -1 3 312.417 3.574 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000371651265 336909962 /nfs/dbraw/zinc/90/99/62/336909962.db2.gz OMWSXDGGDKNDKU-LJKPQDHDSA-N -1 3 320.392 3.505 20 0 DHADHM O=C([N-][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)F ZINC000373319541 336956269 /nfs/dbraw/zinc/95/62/69/336956269.db2.gz OMJZBUBHNAXXSH-GHMZBOCLSA-N -1 3 307.262 3.723 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(c2cccc(F)c2F)CC1 ZINC000373497267 336962411 /nfs/dbraw/zinc/96/24/11/336962411.db2.gz ZNNUVOOYJOIRJS-UHFFFAOYSA-N -1 3 317.335 3.690 20 0 DHADHM Cc1cccc([C@@H]2CCCCN2C(=O)c2csc(=O)[n-]2)c1C ZINC000375077239 337002744 /nfs/dbraw/zinc/00/27/44/337002744.db2.gz RWCWBCHWZCCZRY-HNNXBMFYSA-N -1 3 316.426 3.833 20 0 DHADHM CC(C)CCOCCN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375366127 337009336 /nfs/dbraw/zinc/00/93/36/337009336.db2.gz JEAROSFDMOXXRB-UHFFFAOYSA-N -1 3 319.445 3.627 20 0 DHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2csc(=O)[n-]2)cc1 ZINC000376002932 337024991 /nfs/dbraw/zinc/02/49/91/337024991.db2.gz GREFYHLRUOYQKJ-HNNXBMFYSA-N -1 3 316.426 3.949 20 0 DHADHM CC[C@@H]1CN(C(=O)c2csc(=O)[n-]2)CC[C@H]1c1ccccc1 ZINC000376146527 337028375 /nfs/dbraw/zinc/02/83/75/337028375.db2.gz DZQWKRSPMRAGFG-TZMCWYRMSA-N -1 3 316.426 3.505 20 0 DHADHM C[C@H](c1ccc2ccccc2c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377490148 337053653 /nfs/dbraw/zinc/05/36/53/337053653.db2.gz KTEHOEOYLBUTAZ-CXAGYDPISA-N -1 3 322.412 3.604 20 0 DHADHM Cc1cnc([C@@H]2CCCCN2C(=O)c2cccc([O-])c2)s1 ZINC000378565022 337075798 /nfs/dbraw/zinc/07/57/98/337075798.db2.gz JAZCLJWLEQNWHT-AWEZNQCLSA-N -1 3 302.399 3.525 20 0 DHADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(F)c(Cl)c2)[n-]1 ZINC000193547255 337077925 /nfs/dbraw/zinc/07/79/25/337077925.db2.gz WYJCNOWTXMTDHE-ZETCQYMHSA-N -1 3 314.769 3.842 20 0 DHADHM O=C1CCc2ccc(-c3nc4cc(Cl)ccc4c(=O)[n-]3)cc21 ZINC000582519822 337100222 /nfs/dbraw/zinc/10/02/22/337100222.db2.gz VEQNZAZAHNZOFD-UHFFFAOYSA-N -1 3 310.740 3.785 20 0 DHADHM Cc1nc(C)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000174621961 337142806 /nfs/dbraw/zinc/14/28/06/337142806.db2.gz BQWDBQKGUFPKJQ-UHFFFAOYSA-N -1 3 320.418 3.518 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCc1nc2ccccc2s1 ZINC000179549082 337170094 /nfs/dbraw/zinc/17/00/94/337170094.db2.gz QRJQTVASLVMXPC-UHFFFAOYSA-N -1 3 312.394 3.882 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000181957338 337185496 /nfs/dbraw/zinc/18/54/96/337185496.db2.gz DVJTXVHLMQDAMJ-SJCJKPOMSA-N -1 3 311.381 3.913 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(Cl)ccn1 ZINC000182149666 337186892 /nfs/dbraw/zinc/18/68/92/337186892.db2.gz LNGVUCQDSFJSOR-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(Cc1ccncc1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000182163026 337186953 /nfs/dbraw/zinc/18/69/53/337186953.db2.gz WAWPZGKEFVHOHY-UHFFFAOYSA-N -1 3 318.376 3.559 20 0 DHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000182473649 337187766 /nfs/dbraw/zinc/18/77/66/337187766.db2.gz AJSWVVXBZHCAAP-BDJLRTHQSA-N -1 3 319.788 3.552 20 0 DHADHM CCSc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182379704 337188111 /nfs/dbraw/zinc/18/81/11/337188111.db2.gz LZSXLDOJNKFAHT-GFCCVEGCSA-N -1 3 301.411 3.995 20 0 DHADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([O-])cc1F ZINC000183245670 337192435 /nfs/dbraw/zinc/19/24/35/337192435.db2.gz GCVPGAHZFZSMPJ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000183242234 337192465 /nfs/dbraw/zinc/19/24/65/337192465.db2.gz RWUOCHFJNWPWBW-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000183267249 337192534 /nfs/dbraw/zinc/19/25/34/337192534.db2.gz JVXOKIVVNAJGCP-RYUDHWBXSA-N -1 3 307.271 3.552 20 0 DHADHM COc1ccc(CCCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183255608 337192599 /nfs/dbraw/zinc/19/25/99/337192599.db2.gz IJHYYYPVIJANIG-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM O=C(CCCOCCc1ccccc1)Nc1ccc([O-])cc1F ZINC000183282941 337192723 /nfs/dbraw/zinc/19/27/23/337192723.db2.gz QWVDPQAEESNMSP-UHFFFAOYSA-N -1 3 317.360 3.509 20 0 DHADHM Cc1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000583089438 337239281 /nfs/dbraw/zinc/23/92/81/337239281.db2.gz GCQGACNBKBJYNM-OAHLLOKOSA-N -1 3 317.360 3.632 20 0 DHADHM CCc1nnc(-c2cccc(NCc3cc([O-])cc(F)c3)c2)o1 ZINC000185598679 337249359 /nfs/dbraw/zinc/24/93/59/337249359.db2.gz VPWVXNDHXSEWTE-UHFFFAOYSA-N -1 3 313.332 3.756 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)cc1C(F)(F)F ZINC000186356465 337256830 /nfs/dbraw/zinc/25/68/30/337256830.db2.gz USHOADDYQPBHCR-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCc2ccccc21 ZINC000188978443 337276185 /nfs/dbraw/zinc/27/61/85/337276185.db2.gz HRYHPTNNWIJYEQ-UHFFFAOYSA-N -1 3 307.271 3.614 20 0 DHADHM [O-]c1ccc(CNCc2sccc2Br)cc1F ZINC000231371842 337277708 /nfs/dbraw/zinc/27/77/08/337277708.db2.gz JWLIRWVIUFNDIZ-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM CC(C)c1c(NC(=O)c2cccc([O-])c2)cnn1-c1ccccc1 ZINC000191522939 337298646 /nfs/dbraw/zinc/29/86/46/337298646.db2.gz KQDZDRBWJNVCHQ-UHFFFAOYSA-N -1 3 321.380 3.954 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000235318482 337309003 /nfs/dbraw/zinc/30/90/03/337309003.db2.gz UFRYTTWHLUNCMN-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000583754440 337329983 /nfs/dbraw/zinc/32/99/83/337329983.db2.gz KCQVDJQGKDNRJZ-ISTVAULSSA-N -1 3 315.335 3.966 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@H]1C(=O)[O-] ZINC000300272507 337385574 /nfs/dbraw/zinc/38/55/74/337385574.db2.gz MOADHDDMLPADKG-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccco2)[n-]n1 ZINC000028273743 337388159 /nfs/dbraw/zinc/38/81/59/337388159.db2.gz ADKQBGUMIKLKOO-UHFFFAOYSA-N -1 3 305.696 3.715 20 0 DHADHM O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccco2)n[n-]1 ZINC000028273743 337388160 /nfs/dbraw/zinc/38/81/60/337388160.db2.gz ADKQBGUMIKLKOO-UHFFFAOYSA-N -1 3 305.696 3.715 20 0 DHADHM CCN(CC)[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000124414028 337405289 /nfs/dbraw/zinc/40/52/89/337405289.db2.gz MDDOKTJOPWMZER-KRWDZBQOSA-N -1 3 316.376 3.553 20 0 DHADHM Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)c([O-])c1 ZINC000048401899 337433633 /nfs/dbraw/zinc/43/36/33/337433633.db2.gz FBXWYVAIHJAFQF-UHFFFAOYSA-N -1 3 319.307 3.580 20 0 DHADHM C[C@H](c1ccco1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000069068667 337545248 /nfs/dbraw/zinc/54/52/48/337545248.db2.gz AJCZOVHNAFNFCJ-LLVKDONJSA-N -1 3 323.352 3.868 20 0 DHADHM C[C@@H]1CC[C@H](CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)O1 ZINC000248766970 337567286 /nfs/dbraw/zinc/56/72/86/337567286.db2.gz XCGVQLRVTRGVJQ-BFHYXJOUSA-N -1 3 303.402 3.580 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC000263439217 337629158 /nfs/dbraw/zinc/62/91/58/337629158.db2.gz VTGKPSFUJFAXDM-KRWDZBQOSA-N -1 3 311.381 3.561 20 0 DHADHM CC(C)C[C@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000263469497 337629940 /nfs/dbraw/zinc/62/99/40/337629940.db2.gz HFNPICZPYIFXCL-LLVKDONJSA-N -1 3 324.471 3.708 20 0 DHADHM CCC[C@H](OCC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000528167460 337791236 /nfs/dbraw/zinc/79/12/36/337791236.db2.gz NNJUNLNQTUWPSJ-ZDUSSCGKSA-N -1 3 306.362 3.719 20 0 DHADHM C[C@H]1CC[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)O1 ZINC000528238191 337797730 /nfs/dbraw/zinc/79/77/30/337797730.db2.gz NPTSNVDJAIUMEG-IINYFYTJSA-N -1 3 300.358 3.561 20 0 DHADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(C)c1[O-] ZINC000105971776 337810735 /nfs/dbraw/zinc/81/07/35/337810735.db2.gz XUPJVGSVPGVWEW-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1nc(C2CCCCC2)sc1C(=O)[N-]c1nncs1 ZINC000537097092 337889952 /nfs/dbraw/zinc/88/99/52/337889952.db2.gz ZOHSPPWWLFHASX-UHFFFAOYSA-N -1 3 308.432 3.603 20 0 DHADHM COc1cc(OC)c(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000121729933 337898473 /nfs/dbraw/zinc/89/84/73/337898473.db2.gz ZCSULXZUQBASOM-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM COc1ccc(Cc2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000122507944 337920154 /nfs/dbraw/zinc/92/01/54/337920154.db2.gz WEOSDRDWKFFYHX-JXMROGBWSA-N -1 3 308.337 3.545 20 0 DHADHM CC(C)c1cc(C(=O)Nc2nncs2)c([O-])c(C(C)C)c1 ZINC000537639460 337954727 /nfs/dbraw/zinc/95/47/27/337954727.db2.gz MBHAVAMIGKTMGS-UHFFFAOYSA-N -1 3 305.403 3.743 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2OC)c1 ZINC000537642103 337954838 /nfs/dbraw/zinc/95/48/38/337954838.db2.gz XDXGJAWTYSYBEZ-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000424763434 337984386 /nfs/dbraw/zinc/98/43/86/337984386.db2.gz ZZDCDWPMUZYDNR-WCBMZHEXSA-N -1 3 316.170 3.622 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1 ZINC000515902848 338000361 /nfs/dbraw/zinc/00/03/61/338000361.db2.gz MVJBDJUPKCJZMW-STQMWFEESA-N -1 3 305.418 3.688 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000426649165 338037076 /nfs/dbraw/zinc/03/70/76/338037076.db2.gz WGGOKHQVXXTZAL-CYBMUJFWSA-N -1 3 318.442 3.933 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000426712068 338038923 /nfs/dbraw/zinc/03/89/23/338038923.db2.gz UGCFVKCBOYFYJP-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cccc([C@@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])c1C ZINC000426725882 338039410 /nfs/dbraw/zinc/03/94/10/338039410.db2.gz FUWGJWAOONLKQL-WLPBJKJWSA-N -1 3 313.372 3.871 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000426725555 338039420 /nfs/dbraw/zinc/03/94/20/338039420.db2.gz ZVBIVPBEWDSUPS-KDOFPFPSSA-N -1 3 320.392 3.786 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000426730724 338039718 /nfs/dbraw/zinc/03/97/18/338039718.db2.gz LZQJSPHPWHZQLW-WMLDXEAASA-N -1 3 316.426 3.543 20 0 DHADHM Cc1ccc(F)c(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000426735191 338039898 /nfs/dbraw/zinc/03/98/98/338039898.db2.gz SEUHTNCZFHFNHL-INIZCTEOSA-N -1 3 321.779 3.573 20 0 DHADHM CC(C)(C)CC[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426737782 338039945 /nfs/dbraw/zinc/03/99/45/338039945.db2.gz QERXJLAVGYTVLL-CYBMUJFWSA-N -1 3 301.789 3.848 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000426741065 338040149 /nfs/dbraw/zinc/04/01/49/338040149.db2.gz DGFFLCZOFLCNHY-BLLLJJGKSA-N -1 3 303.789 3.892 20 0 DHADHM COc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000426741842 338040216 /nfs/dbraw/zinc/04/02/16/338040216.db2.gz HJEKNTNHTIOPHV-AWEZNQCLSA-N -1 3 313.825 3.718 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000426751419 338040668 /nfs/dbraw/zinc/04/06/68/338040668.db2.gz VSZVOLSOBGYXHK-KUHUBIRLSA-N -1 3 320.392 3.786 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426757815 338041026 /nfs/dbraw/zinc/04/10/26/338041026.db2.gz FSSRVSRTPMUKMV-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CCc1cc(C(=O)N2CCn3c(cc4ccccc43)C2)ccc1[O-] ZINC000428684561 338058436 /nfs/dbraw/zinc/05/84/36/338058436.db2.gz OSMLJJQQGLZKOW-UHFFFAOYSA-N -1 3 320.392 3.565 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@H](C)c2c[nH]c3ccccc32)n1 ZINC000429242283 338074350 /nfs/dbraw/zinc/07/43/50/338074350.db2.gz RIYPUTNOZBUBMT-NSHDSACASA-N -1 3 309.369 3.709 20 0 DHADHM C[C@@H]1CC[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000429566159 338084247 /nfs/dbraw/zinc/08/42/47/338084247.db2.gz URSBKUBYGXSRLO-NEPJUHHUSA-N -1 3 311.385 3.702 20 0 DHADHM [O-]c1cccnc1CNCc1cc(Cl)ccc1OCC1CC1 ZINC000430019445 338093507 /nfs/dbraw/zinc/09/35/07/338093507.db2.gz NIVVOTAAFNZDMZ-UHFFFAOYSA-N -1 3 318.804 3.519 20 0 DHADHM CC(F)(F)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000430257482 338103327 /nfs/dbraw/zinc/10/33/27/338103327.db2.gz LYPVZIOJIQEWDE-UHFFFAOYSA-N -1 3 305.324 3.967 20 0 DHADHM CC(C)Oc1ccc2ccccc2c1CN(C)CCC(=O)[O-] ZINC000430668880 338110920 /nfs/dbraw/zinc/11/09/20/338110920.db2.gz YLVLQSMVKRIHIL-UHFFFAOYSA-N -1 3 301.386 3.534 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1cnc2ccccc2c1 ZINC000430985364 338120125 /nfs/dbraw/zinc/12/01/25/338120125.db2.gz UYXKDHHTVXUBGO-UHFFFAOYSA-N -1 3 318.785 3.689 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C ZINC000431169511 338124807 /nfs/dbraw/zinc/12/48/07/338124807.db2.gz STEWTPFFYXCKHV-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM [O-]c1cccc2ccc(/C=C/c3cnn(CC(F)F)c3)nc12 ZINC000431176302 338125005 /nfs/dbraw/zinc/12/50/05/338125005.db2.gz CFRHYUHKQDGMIO-GQCTYLIASA-N -1 3 301.296 3.572 20 0 DHADHM CCn1c2ccccc2nc1NC(=O)c1cc([O-])ccc1Cl ZINC000431510479 338132856 /nfs/dbraw/zinc/13/28/56/338132856.db2.gz YVBUIOWDYZEWBE-UHFFFAOYSA-N -1 3 315.760 3.668 20 0 DHADHM CC(C)c1cc(C(=O)NCCC2CC(O)C2)c([O-])c(C(C)C)c1 ZINC000432458277 338156812 /nfs/dbraw/zinc/15/68/12/338156812.db2.gz FCEGWHRIMMDIBS-UHFFFAOYSA-N -1 3 319.445 3.530 20 0 DHADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccoc1Cl ZINC000433842648 338203214 /nfs/dbraw/zinc/20/32/14/338203214.db2.gz JGTPLENZOVNBOT-ARJAWSKDSA-N -1 3 321.745 3.800 20 0 DHADHM C[C@@H]1[C@H](C(=O)N2CCCc3cccc([O-])c32)[C@H]1c1ccccc1 ZINC000435801915 338249799 /nfs/dbraw/zinc/24/97/99/338249799.db2.gz WQEAFVURCZOOOX-VHSSKADRSA-N -1 3 307.393 3.721 20 0 DHADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000435801911 338249822 /nfs/dbraw/zinc/24/98/22/338249822.db2.gz WQEAFVURCZOOOX-KKXDTOCCSA-N -1 3 307.393 3.721 20 0 DHADHM O=C(CO[C@@H]1CCCc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000435802858 338249921 /nfs/dbraw/zinc/24/99/21/338249921.db2.gz ZQHWVBWNBLNMJK-QGZVFWFLSA-N -1 3 315.344 3.564 20 0 DHADHM Cc1ccccc1OCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435944963 338253765 /nfs/dbraw/zinc/25/37/65/338253765.db2.gz FCYNWLPWPPLNDN-MDZDMXLPSA-N -1 3 308.337 3.833 20 0 DHADHM Cn1ccc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc21 ZINC000436146948 338259614 /nfs/dbraw/zinc/25/96/14/338259614.db2.gz BTXUVKGPSCUFMU-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM Cn1ccc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc21 ZINC000436146948 338259615 /nfs/dbraw/zinc/25/96/15/338259615.db2.gz BTXUVKGPSCUFMU-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000436480307 338273735 /nfs/dbraw/zinc/27/37/35/338273735.db2.gz ZYCPYBXPTVWZSX-UHFFFAOYSA-N -1 3 313.300 3.548 20 0 DHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cc2ccccc2s1 ZINC000436486852 338273885 /nfs/dbraw/zinc/27/38/85/338273885.db2.gz KBUSCNLUFDPPIP-SNVBAGLBSA-N -1 3 313.378 3.804 20 0 DHADHM CCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000436490741 338274023 /nfs/dbraw/zinc/27/40/23/338274023.db2.gz OWWJLLARHFVVEC-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM COc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1Cl ZINC000436515517 338274631 /nfs/dbraw/zinc/27/46/31/338274631.db2.gz RTKVUDAKYJHJCV-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436532849 338275463 /nfs/dbraw/zinc/27/54/63/338275463.db2.gz HAQMRMIBJJJGPW-AWEZNQCLSA-N -1 3 317.429 3.756 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(F)cc3F)no2)c1[O-] ZINC000436533674 338275598 /nfs/dbraw/zinc/27/55/98/338275598.db2.gz MYOQOFOKGCIKGV-UHFFFAOYSA-N -1 3 318.279 3.704 20 0 DHADHM Cc1cccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c1[O-] ZINC000436538723 338276191 /nfs/dbraw/zinc/27/61/91/338276191.db2.gz JLTKAHFXZNXUNZ-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CC[C@@H](NC(=O)c1ccccc1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000436546522 338276587 /nfs/dbraw/zinc/27/65/87/338276587.db2.gz GEYUVWCUORGTNL-OAHLLOKOSA-N -1 3 321.380 3.663 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436551604 338276630 /nfs/dbraw/zinc/27/66/30/338276630.db2.gz PMKDNCNSPZWEGN-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000436558431 338277169 /nfs/dbraw/zinc/27/71/69/338277169.db2.gz XTGRFIYRIYPGSL-QGZVFWFLSA-N -1 3 309.409 3.796 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3nnco3)ccc2C)c([O-])c1C ZINC000436563772 338277260 /nfs/dbraw/zinc/27/72/60/338277260.db2.gz QKPQCYIOORMHQF-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM CCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000436569010 338277550 /nfs/dbraw/zinc/27/75/50/338277550.db2.gz YSPUCABTUZFVOF-UHFFFAOYSA-N -1 3 309.409 3.998 20 0 DHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436572423 338277805 /nfs/dbraw/zinc/27/78/05/338277805.db2.gz FYBFYGLEFTXPMB-QGZVFWFLSA-N -1 3 315.388 3.871 20 0 DHADHM COc1cccc(C(=O)N[C@H](CC(C)C)c2cccs2)c1[O-] ZINC000436580582 338278194 /nfs/dbraw/zinc/27/81/94/338278194.db2.gz CAMQZTISMYVYIV-CYBMUJFWSA-N -1 3 319.426 3.980 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1[O-] ZINC000436587089 338278517 /nfs/dbraw/zinc/27/85/17/338278517.db2.gz VIMJIOPVCLOLJI-OAHLLOKOSA-N -1 3 324.424 3.792 20 0 DHADHM Cc1cnc([C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)s1 ZINC000436592827 338278923 /nfs/dbraw/zinc/27/89/23/338278923.db2.gz ZFGVDFUETSXUOY-AWEZNQCLSA-N -1 3 316.426 3.655 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnn([C@@H](C)CC)c2C)c1 ZINC000436598109 338279336 /nfs/dbraw/zinc/27/93/36/338279336.db2.gz YCCJAWCJZLSFHG-NSHDSACASA-N -1 3 301.390 3.683 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c1[O-] ZINC000436600137 338279347 /nfs/dbraw/zinc/27/93/47/338279347.db2.gz CYWXGXRRWLOJBE-QGZVFWFLSA-N -1 3 309.409 3.966 20 0 DHADHM CSCCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436609964 338279759 /nfs/dbraw/zinc/27/97/59/338279759.db2.gz IZHUGMXDBFBHAT-UHFFFAOYSA-N -1 3 300.383 3.891 20 0 DHADHM CCCn1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436610150 338279857 /nfs/dbraw/zinc/27/98/57/338279857.db2.gz JLDVITXZGKVVEH-UHFFFAOYSA-N -1 3 320.352 3.869 20 0 DHADHM Cc1noc(C)c1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613884 338279875 /nfs/dbraw/zinc/27/98/75/338279875.db2.gz SZRWSZZMQOCCPP-UHFFFAOYSA-N -1 3 321.336 3.791 20 0 DHADHM O=C(NCc1ccoc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436612354 338279981 /nfs/dbraw/zinc/27/99/81/338279981.db2.gz MOHJXZQSVGOFCT-UHFFFAOYSA-N -1 3 307.349 3.506 20 0 DHADHM CCc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)n[nH]1 ZINC000436620584 338280389 /nfs/dbraw/zinc/28/03/89/338280389.db2.gz WCACQSJNSHIWEJ-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM Cc1ccc(C(=O)NCCSc2ccccc2)c([O-])c1C ZINC000436628350 338280620 /nfs/dbraw/zinc/28/06/20/338280620.db2.gz YTLQOWOPKIPGKL-UHFFFAOYSA-N -1 3 301.411 3.531 20 0 DHADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000436633324 338280885 /nfs/dbraw/zinc/28/08/85/338280885.db2.gz YWTOJBXERLPVER-UHFFFAOYSA-N -1 3 323.314 3.774 20 0 DHADHM CCc1cc(C(=O)NCc2cc(C(CC)CC)no2)ccc1[O-] ZINC000436650932 338281520 /nfs/dbraw/zinc/28/15/20/338281520.db2.gz YPPIITOSHBRBPR-UHFFFAOYSA-N -1 3 316.401 3.776 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccc4[nH]ccc4c3)n2)cc1 ZINC000436648830 338281562 /nfs/dbraw/zinc/28/15/62/338281562.db2.gz NDFQTLLFXJVXOT-UHFFFAOYSA-N -1 3 305.337 3.709 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1OC ZINC000436684916 338282597 /nfs/dbraw/zinc/28/25/97/338282597.db2.gz JATLAHXQFQVCJC-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c1 ZINC000436682127 338282683 /nfs/dbraw/zinc/28/26/83/338282683.db2.gz PGJVNPQPIMHSNT-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM Cc1ccc(C(=O)NCCc2cccc3cccnc32)c([O-])c1C ZINC000436687225 338282813 /nfs/dbraw/zinc/28/28/13/338282813.db2.gz HWVCEVWLEDQKBB-UHFFFAOYSA-N -1 3 320.392 3.530 20 0 DHADHM COc1cccc(C(=O)Nc2cc(C)cc3cccnc32)c1[O-] ZINC000436687933 338282850 /nfs/dbraw/zinc/28/28/50/338282850.db2.gz JVLBRLVHVUTDGH-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CCOc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cc1F ZINC000436685984 338282906 /nfs/dbraw/zinc/28/29/06/338282906.db2.gz FBENNKJXNZJINZ-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM CC(C)[C@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436691570 338282928 /nfs/dbraw/zinc/28/29/28/338282928.db2.gz USNANRSWZMSNOK-GOSISDBHSA-N -1 3 309.409 3.854 20 0 DHADHM CCc1ccc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000436690146 338282973 /nfs/dbraw/zinc/28/29/73/338282973.db2.gz YHFLZMIJKABLEX-QGZVFWFLSA-N -1 3 309.409 3.974 20 0 DHADHM O=C(c1ccccc1[O-])N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000436694846 338283133 /nfs/dbraw/zinc/28/31/33/338283133.db2.gz CZFLPUDLPIJYEF-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436695699 338283160 /nfs/dbraw/zinc/28/31/60/338283160.db2.gz FJRZLZLPKHFKPI-ZBFHGGJFSA-N -1 3 307.459 3.749 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1ccc([O-])c(CC)c1 ZINC000436692511 338283251 /nfs/dbraw/zinc/28/32/51/338283251.db2.gz XFNFWEQSZYMWKU-UHFFFAOYSA-N -1 3 303.324 3.759 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1ccc([O-])c(CC)c1 ZINC000436709645 338283650 /nfs/dbraw/zinc/28/36/50/338283650.db2.gz YVQHUJHUWFKMKC-UHFFFAOYSA-N -1 3 307.434 3.624 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c([O-])c1C ZINC000436734848 338284738 /nfs/dbraw/zinc/28/47/38/338284738.db2.gz DYWYFIGYNMJEDZ-NSHDSACASA-N -1 3 304.777 3.548 20 0 DHADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436755196 338285680 /nfs/dbraw/zinc/28/56/80/338285680.db2.gz LMPOMFJJPNBSRN-JSGCOSHPSA-N -1 3 317.429 3.756 20 0 DHADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436763506 338286390 /nfs/dbraw/zinc/28/63/90/338286390.db2.gz HCGKEYUMQRSOBH-YPMHNXCESA-N -1 3 303.402 3.509 20 0 DHADHM COc1ccc(C(=O)NCc2cc3ccccc3s2)c([O-])c1 ZINC000436764391 338286473 /nfs/dbraw/zinc/28/64/73/338286473.db2.gz LDJLCPHUYVIKBD-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000436768079 338286619 /nfs/dbraw/zinc/28/66/19/338286619.db2.gz HQIUHVATBXCFJK-AWEZNQCLSA-N -1 3 314.728 3.772 20 0 DHADHM CCc1ccc(-c2nc(-c3cn(C)nc3C(C)C)no2)c([O-])c1 ZINC000436776084 338286895 /nfs/dbraw/zinc/28/68/95/338286895.db2.gz SVJJUJIFCITKRS-UHFFFAOYSA-N -1 3 312.373 3.529 20 0 DHADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000436781567 338287169 /nfs/dbraw/zinc/28/71/69/338287169.db2.gz KEASTHBCYPJHMH-CYBMUJFWSA-N -1 3 303.427 3.855 20 0 DHADHM COc1cc(-c2noc(-c3cccc(Cl)c3)n2)ccc1[O-] ZINC000436786158 338287252 /nfs/dbraw/zinc/28/72/52/338287252.db2.gz BYKCGMVGOHOSHI-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c([O-])c1 ZINC000436789826 338287407 /nfs/dbraw/zinc/28/74/07/338287407.db2.gz DYMJKVASSMYRMY-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3[O-])on2)cc1 ZINC000436800715 338287978 /nfs/dbraw/zinc/28/79/78/338287978.db2.gz MWYMWGMZSDIJGX-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000436806036 338288042 /nfs/dbraw/zinc/28/80/42/338288042.db2.gz GPPIDBFHUZUQRZ-VXGBXAGGSA-N -1 3 314.291 3.992 20 0 DHADHM CCc1c(NC(=O)c2ccc(C)cc2[O-])cnn1CCC(C)C ZINC000436806931 338288134 /nfs/dbraw/zinc/28/81/34/338288134.db2.gz GVXQOWZANPDXAR-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM [O-]c1ccc(-c2noc(C(F)(F)c3ccccc3F)n2)cc1 ZINC000436817167 338288380 /nfs/dbraw/zinc/28/83/80/338288380.db2.gz RBRKTQSWSHKEPG-UHFFFAOYSA-N -1 3 306.243 3.721 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(CC)cc1[O-] ZINC000436819405 338288386 /nfs/dbraw/zinc/28/83/86/338288386.db2.gz NEPOFCZTWXYYFV-UHFFFAOYSA-N -1 3 303.324 3.759 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c([O-])c1C ZINC000436817839 338288416 /nfs/dbraw/zinc/28/84/16/338288416.db2.gz IRYKOTOCANSOAA-LBPRGKRZSA-N -1 3 311.381 3.869 20 0 DHADHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccccc2[O-])c1 ZINC000436820456 338288702 /nfs/dbraw/zinc/28/87/02/338288702.db2.gz LWJPJUKOOZIRJT-SUMWQHHRSA-N -1 3 311.381 3.624 20 0 DHADHM CCc1ccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c([O-])c1 ZINC000436830956 338289055 /nfs/dbraw/zinc/28/90/55/338289055.db2.gz DVZAUBCROSPLNO-UHFFFAOYSA-N -1 3 318.442 3.693 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccccc3OC(F)F)n2)cc1 ZINC000436832674 338289064 /nfs/dbraw/zinc/28/90/64/338289064.db2.gz IBCNSBVPZPIFQM-UHFFFAOYSA-N -1 3 318.279 3.634 20 0 DHADHM COc1cccc(C(=O)N2CCC(CCC(C)C)CC2)c1[O-] ZINC000436843476 338289630 /nfs/dbraw/zinc/28/96/30/338289630.db2.gz ZUYHEOUJFXWFNB-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[O-] ZINC000436845923 338289660 /nfs/dbraw/zinc/28/96/60/338289660.db2.gz KSYUNEVROJINJW-SNVBAGLBSA-N -1 3 317.772 3.739 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000436845259 338289681 /nfs/dbraw/zinc/28/96/81/338289681.db2.gz IRJRQVMXURVYBN-QWHCGFSZSA-N -1 3 305.418 3.688 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436844787 338289716 /nfs/dbraw/zinc/28/97/16/338289716.db2.gz AVEOCPPOVJZFRB-MRXNPFEDSA-N -1 3 313.397 3.933 20 0 DHADHM CSc1ccccc1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000436851122 338289899 /nfs/dbraw/zinc/28/98/99/338289899.db2.gz JUUPNJAGEYKUGL-UHFFFAOYSA-N -1 3 301.411 3.695 20 0 DHADHM COc1cccc(C(=O)NCCCCCc2ccccc2)c1[O-] ZINC000436848394 338289945 /nfs/dbraw/zinc/28/99/45/338289945.db2.gz VNVXMCJHXUYPMN-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM COc1ccc2c(c1)CCCCN2C(=O)c1cc(C)ccc1[O-] ZINC000436858523 338290133 /nfs/dbraw/zinc/29/01/33/338290133.db2.gz GGABGXKTFISQJS-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3ccsc3s2)c([O-])c1C ZINC000436859911 338290219 /nfs/dbraw/zinc/29/02/19/338290219.db2.gz ZGXKGKXZRYOVQX-UHFFFAOYSA-N -1 3 304.396 3.933 20 0 DHADHM Cc1ccc(-n2cc(NC(=O)c3ccc([O-])c(C)c3)cn2)c(C)c1 ZINC000436868058 338290552 /nfs/dbraw/zinc/29/05/52/338290552.db2.gz GPKKOPVZMDBSJC-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cn1cc(-c2nc(-c3ccc([O-])cc3)no2)c(-c2cccs2)n1 ZINC000436869348 338290570 /nfs/dbraw/zinc/29/05/70/338290570.db2.gz KXRKKCBZMLLQLB-UHFFFAOYSA-N -1 3 324.365 3.571 20 0 DHADHM CC[C@@H]1CCCC[C@H]1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436867554 338290673 /nfs/dbraw/zinc/29/06/73/338290673.db2.gz CYXOPVJSZJGWJO-IUODEOHRSA-N -1 3 302.374 3.928 20 0 DHADHM [O-]c1ccc(-c2noc(C(F)(F)Cc3ccccc3)n2)cc1 ZINC000436867794 338290705 /nfs/dbraw/zinc/29/07/05/338290705.db2.gz DOMKGMRORYZBIJ-UHFFFAOYSA-N -1 3 302.280 3.777 20 0 DHADHM CCOc1cc(-c2noc(-c3ccoc3CC)n2)ccc1[O-] ZINC000436880220 338291433 /nfs/dbraw/zinc/29/14/33/338291433.db2.gz ZYPBYCSTZMTVFL-UHFFFAOYSA-N -1 3 300.314 3.663 20 0 DHADHM COC(=O)c1cccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436884898 338291833 /nfs/dbraw/zinc/29/18/33/338291833.db2.gz FYZNEKPJESUFQU-UHFFFAOYSA-N -1 3 324.336 3.513 20 0 DHADHM COc1ccc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436887813 338292062 /nfs/dbraw/zinc/29/20/62/338292062.db2.gz PTQNQEUESRWLRN-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3cc(C)ccc3C)no2)c1 ZINC000436891242 338292165 /nfs/dbraw/zinc/29/21/65/338292165.db2.gz FKDTTZWXVIUAJY-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3cc(C)cc(C)c3)no2)c1[O-] ZINC000436892523 338292176 /nfs/dbraw/zinc/29/21/76/338292176.db2.gz KGGSLHOMQYKGLT-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM Cc1ccccc1-n1cc(-c2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000436890162 338292184 /nfs/dbraw/zinc/29/21/84/338292184.db2.gz RYKHNYQOWGFNGM-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM COc1cc(-c2noc(-c3ccc4ncccc4c3)n2)ccc1[O-] ZINC000436897591 338292444 /nfs/dbraw/zinc/29/24/44/338292444.db2.gz SENBECMQTUJACI-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1csc2[nH]c(C=Cc3ccc([O-])c(F)c3)nc(=O)c12 ZINC000436925801 338293750 /nfs/dbraw/zinc/29/37/50/338293750.db2.gz JUFCTBWNTLARDF-HYXAFXHYSA-N -1 3 302.330 3.720 20 0 DHADHM Cc1cc(C(=O)N(Cc2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000436927760 338293767 /nfs/dbraw/zinc/29/37/67/338293767.db2.gz QUJGGFIFDYVOHT-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CCOc1cc(NC(=O)c2cc(CC)ccc2[O-])ccc1OC ZINC000436930288 338293984 /nfs/dbraw/zinc/29/39/84/338293984.db2.gz WNUQSSDAEJDRLN-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)c2cccnc12 ZINC000436928739 338294117 /nfs/dbraw/zinc/29/41/17/338294117.db2.gz WWGKWTJBWSAKGO-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1[O-] ZINC000436939975 338294853 /nfs/dbraw/zinc/29/48/53/338294853.db2.gz SPNLZSMAKSJFGP-SNVBAGLBSA-N -1 3 307.752 3.984 20 0 DHADHM CO[C@H](c1noc(-c2ccccc2[O-])n1)c1cccc(Cl)c1 ZINC000436941444 338295007 /nfs/dbraw/zinc/29/50/07/338295007.db2.gz QGQIPKQVMVEQTA-AWEZNQCLSA-N -1 3 316.744 3.831 20 0 DHADHM CCC(CC)(OC)c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436951204 338295450 /nfs/dbraw/zinc/29/54/50/338295450.db2.gz FGGPWLMCCZRPDK-UHFFFAOYSA-N -1 3 316.401 3.983 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1(C)C ZINC000436955560 338295764 /nfs/dbraw/zinc/29/57/64/338295764.db2.gz LBTFJMNYSFGSRF-LBPRGKRZSA-N -1 3 317.429 3.614 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C)c(O)c(C)c2)CC)n1 ZINC000436965720 338296008 /nfs/dbraw/zinc/29/60/08/338296008.db2.gz KARSNYXEUWUMMD-XNTDXEJSSA-N -1 3 312.413 3.995 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H](C)c3ccccc3C)no2)c1 ZINC000436961240 338296028 /nfs/dbraw/zinc/29/60/28/338296028.db2.gz JLXQCDJQZREYMD-LBPRGKRZSA-N -1 3 310.353 3.911 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C)CC2)c([O-])c1 ZINC000436971210 338296227 /nfs/dbraw/zinc/29/62/27/338296227.db2.gz ITUHBXGKGJHCOH-CQSZACIVSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1[O-] ZINC000436983274 338296604 /nfs/dbraw/zinc/29/66/04/338296604.db2.gz JWOLWPLXKGBCLA-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000436998878 338297309 /nfs/dbraw/zinc/29/73/09/338297309.db2.gz ZODHRIMCHGFNAE-UHFFFAOYSA-N -1 3 304.252 3.711 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC(CC)(CC)C2)c([O-])c1 ZINC000437004834 338297579 /nfs/dbraw/zinc/29/75/79/338297579.db2.gz XHUGJCGDBXFPTH-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc([O-])c1 ZINC000437337966 338307223 /nfs/dbraw/zinc/30/72/23/338307223.db2.gz PRFXDWZWQWJORL-RBUKOAKNSA-N -1 3 303.361 3.831 20 0 DHADHM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc([O-])c1 ZINC000437428443 338309835 /nfs/dbraw/zinc/30/98/35/338309835.db2.gz SFDSILJQKYEZCV-CTYIDZIISA-N -1 3 301.773 3.722 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC2(CCCC2)C1 ZINC000438561946 338348185 /nfs/dbraw/zinc/34/81/85/338348185.db2.gz NAWTTYODXBTAIE-UHFFFAOYSA-N -1 3 307.821 3.771 20 0 DHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000438726133 338351291 /nfs/dbraw/zinc/35/12/91/338351291.db2.gz SYHRQLNGJGPVLB-UHFFFAOYSA-N -1 3 319.426 3.586 20 0 DHADHM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000439019841 338358639 /nfs/dbraw/zinc/35/86/39/338358639.db2.gz MPKZYVASTDWNPC-GFCCVEGCSA-N -1 3 324.409 3.910 20 0 DHADHM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000439019841 338358640 /nfs/dbraw/zinc/35/86/40/338358640.db2.gz MPKZYVASTDWNPC-GFCCVEGCSA-N -1 3 324.409 3.910 20 0 DHADHM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000439019841 338358641 /nfs/dbraw/zinc/35/86/41/338358641.db2.gz MPKZYVASTDWNPC-GFCCVEGCSA-N -1 3 324.409 3.910 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000439760279 338377282 /nfs/dbraw/zinc/37/72/82/338377282.db2.gz WXDRLLNVBKVWES-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM O=C([N-]c1cc2c(cc1Cl)CCC2=O)c1cc(C2CC2)no1 ZINC000440881218 338399055 /nfs/dbraw/zinc/39/90/55/338399055.db2.gz UDMQKLOYOZARLW-UHFFFAOYSA-N -1 3 316.744 3.587 20 0 DHADHM CCc1noc(C)c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441596104 338417424 /nfs/dbraw/zinc/41/74/24/338417424.db2.gz HAEUSNBUHGLUFL-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM CC(C)c1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)c([O-])c1 ZINC000442683603 338427659 /nfs/dbraw/zinc/42/76/59/338427659.db2.gz WAMYSQGYOZTCGK-WCQYABFASA-N -1 3 302.374 3.706 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(SC)cc2OC)c1 ZINC000446980857 338542660 /nfs/dbraw/zinc/54/26/60/338542660.db2.gz MQEBOEMMSQULOG-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM CC(C)c1cc(C(=O)NCCC[C@@H](C)O)c([O-])c(C(C)C)c1 ZINC000447621991 338562185 /nfs/dbraw/zinc/56/21/85/338562185.db2.gz YNWRGLJRIXZPHK-CYBMUJFWSA-N -1 3 307.434 3.530 20 0 DHADHM CCc1[nH]nc(NC(=O)CCc2ccc3ccccc3c2[O-])c1C ZINC000449848098 338655678 /nfs/dbraw/zinc/65/56/78/338655678.db2.gz DCUVNHMSDUUVLV-UHFFFAOYSA-N -1 3 323.396 3.711 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000162893166 338670612 /nfs/dbraw/zinc/67/06/12/338670612.db2.gz FNSGLQUJSYCPAG-KGLIPLIRSA-N -1 3 307.459 3.755 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000450809843 338706532 /nfs/dbraw/zinc/70/65/32/338706532.db2.gz XJTZYUDIFHCTTF-QAPCUYQASA-N -1 3 309.409 3.879 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000195722140 338914618 /nfs/dbraw/zinc/91/46/18/338914618.db2.gz GKJYKRVRENORCP-CYBMUJFWSA-N -1 3 323.396 3.561 20 0 DHADHM CC(C)c1nnc(C(=O)[N-]c2nc(C(C)(C)C)cs2)s1 ZINC000456533509 338933433 /nfs/dbraw/zinc/93/34/33/338933433.db2.gz HSDYERGDYYASHU-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456693707 338937296 /nfs/dbraw/zinc/93/72/96/338937296.db2.gz MKQLCIZWEWRZBQ-INIZCTEOSA-N -1 3 321.380 3.636 20 0 DHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459292658 339019739 /nfs/dbraw/zinc/01/97/39/339019739.db2.gz ODSLUFNZNSPQLD-JTQLQIEISA-N -1 3 319.355 3.531 20 0 DHADHM O=c1cc(CN2CCC[C@@H]2c2ccc[nH]2)nc(-c2ccccc2)[n-]1 ZINC000459360993 339024419 /nfs/dbraw/zinc/02/44/19/339024419.db2.gz VZPBIZNGVABPAB-QGZVFWFLSA-N -1 3 320.396 3.514 20 0 DHADHM C[C@H](c1cccnc1)N(C)Cc1cccc([O-])c1Br ZINC000459477897 339031727 /nfs/dbraw/zinc/03/17/27/339031727.db2.gz ILCFYKHSVAGKLV-LLVKDONJSA-N -1 3 321.218 3.743 20 0 DHADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)CCC1(F)F ZINC000459567610 339036133 /nfs/dbraw/zinc/03/61/33/339036133.db2.gz UJZCMZCSCMKCCQ-SECBINFHSA-N -1 3 320.177 3.632 20 0 DHADHM [O-]c1cccc(CN[C@H](C2CC2)C(F)(F)F)c1Br ZINC000459569216 339036400 /nfs/dbraw/zinc/03/64/00/339036400.db2.gz MERRQFLIFUELJT-LLVKDONJSA-N -1 3 324.140 3.585 20 0 DHADHM CCc1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C ZINC000459994104 339051451 /nfs/dbraw/zinc/05/14/51/339051451.db2.gz FYPIKLDXRSDDES-UHFFFAOYSA-N -1 3 321.349 3.742 20 0 DHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1(F)F ZINC000461457412 339064136 /nfs/dbraw/zinc/06/41/36/339064136.db2.gz QOQNYQNPAMNIOO-BZNIZROVSA-N -1 3 317.335 3.823 20 0 DHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462700791 339084363 /nfs/dbraw/zinc/08/43/63/339084363.db2.gz CLVKAIHYJHGKFQ-VHSXEESVSA-N -1 3 307.818 3.582 20 0 DHADHM Fc1c(Cl)cccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000466456586 339205807 /nfs/dbraw/zinc/20/58/07/339205807.db2.gz RJKLKLYHULVBBL-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1Cl ZINC000467118066 339226757 /nfs/dbraw/zinc/22/67/57/339226757.db2.gz UNPMMTFXSZUPAV-SNVBAGLBSA-N -1 3 320.241 3.689 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000468385594 339261221 /nfs/dbraw/zinc/26/12/21/339261221.db2.gz UBXPKMHPGUPXSB-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCc2ccccc21 ZINC000468558846 339266486 /nfs/dbraw/zinc/26/64/86/339266486.db2.gz FLZHLVVHVZAOBT-UHFFFAOYSA-N -1 3 313.372 3.833 20 0 DHADHM COc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468559633 339266509 /nfs/dbraw/zinc/26/65/09/339266509.db2.gz JOLYHXLYWPJQKQ-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CN(Cc1ccc(F)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468582743 339266821 /nfs/dbraw/zinc/26/68/21/339266821.db2.gz AYUDMBAXNXKYHY-UHFFFAOYSA-N -1 3 319.351 3.652 20 0 DHADHM CCCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000468951379 339275865 /nfs/dbraw/zinc/27/58/65/339275865.db2.gz KOCPHNXXXGIBEK-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c1 ZINC000468963244 339276119 /nfs/dbraw/zinc/27/61/19/339276119.db2.gz OJWYANFVUZHOFY-ZDUSSCGKSA-N -1 3 323.380 3.675 20 0 DHADHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468985680 339276722 /nfs/dbraw/zinc/27/67/22/339276722.db2.gz OTNBMIXICAMFAI-UHFFFAOYSA-N -1 3 315.388 3.906 20 0 DHADHM C[C@H]1CCN(C(=O)Cn2ccc3ccccc32)c2c([O-])cccc21 ZINC000469185798 339282400 /nfs/dbraw/zinc/28/24/00/339282400.db2.gz ZBCOENZJLLJSTD-AWEZNQCLSA-N -1 3 320.392 3.887 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000469421148 339288405 /nfs/dbraw/zinc/28/84/05/339288405.db2.gz YVEJUSQWIKAYMI-OWCLPIDISA-N -1 3 319.420 3.939 20 0 DHADHM CC[C@]1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469428304 339288712 /nfs/dbraw/zinc/28/87/12/339288712.db2.gz OTZRMLSMYOSSNO-GOSISDBHSA-N -1 3 307.409 3.893 20 0 DHADHM C[C@@H]1CC[C@@]2(CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)C1 ZINC000469797513 339300695 /nfs/dbraw/zinc/30/06/95/339300695.db2.gz CLNMLILMKSSAJB-AUUYWEPGSA-N -1 3 319.420 3.893 20 0 DHADHM Cn1c2ccc(Br)cc2nc1-c1cc([O-])cc(F)c1 ZINC000471435795 339344814 /nfs/dbraw/zinc/34/48/14/339344814.db2.gz JRKMQBYFLOYMNF-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4ccn(C)c43)n[n-]2)o1 ZINC000471714618 339352002 /nfs/dbraw/zinc/35/20/02/339352002.db2.gz QOBYEUUTFDQJGS-UHFFFAOYSA-N -1 3 320.352 3.722 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4ccn(C)c43)[n-]n2)o1 ZINC000471714618 339352003 /nfs/dbraw/zinc/35/20/03/339352003.db2.gz QOBYEUUTFDQJGS-UHFFFAOYSA-N -1 3 320.352 3.722 20 0 DHADHM CC(C)(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000471749047 339353020 /nfs/dbraw/zinc/35/30/20/339353020.db2.gz ZDMSIIWZBBKPJT-GFCCVEGCSA-N -1 3 308.378 3.505 20 0 DHADHM CC(C)c1ccc([C@H](C)CC(=O)NCc2ncccc2[O-])cc1 ZINC000473639009 339389306 /nfs/dbraw/zinc/38/93/06/339389306.db2.gz BWQDTVNEZWQGQJ-CQSZACIVSA-N -1 3 312.413 3.721 20 0 DHADHM O=C(NCc1ncccc1[O-])c1ccccc1Oc1ccccc1 ZINC000473637609 339389308 /nfs/dbraw/zinc/38/93/08/339389308.db2.gz BWXKMALSSGOVTB-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473912783 339394826 /nfs/dbraw/zinc/39/48/26/339394826.db2.gz FNYPFTKIPDENPK-UHFFFAOYSA-N -1 3 321.876 3.558 20 0 DHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000475840693 339462599 /nfs/dbraw/zinc/46/25/99/339462599.db2.gz UYDPSBZVEACKOV-UHFFFAOYSA-N -1 3 323.801 3.734 20 0 DHADHM O=c1ccnc(C(=Cc2cc(F)ccc2F)Cc2ccccc2)[n-]1 ZINC000477414381 339494386 /nfs/dbraw/zinc/49/43/86/339494386.db2.gz QNOIJDAQPKPAFM-RVDMUPIBSA-N -1 3 324.330 3.831 20 0 DHADHM CCc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)ccc1[O-] ZINC000486392684 339726547 /nfs/dbraw/zinc/72/65/47/339726547.db2.gz HBJZFXGCUPENEA-NVXWUHKLSA-N -1 3 319.445 3.526 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000486685644 339731201 /nfs/dbraw/zinc/73/12/01/339731201.db2.gz FNSGCJPPCPDVTE-SNVBAGLBSA-N -1 3 323.792 3.505 20 0 DHADHM CCc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000487082294 339743590 /nfs/dbraw/zinc/74/35/90/339743590.db2.gz CRWPAWJYGNFRQX-GWCFXTLKSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000498525156 339768122 /nfs/dbraw/zinc/76/81/22/339768122.db2.gz JMKZJZUZTIQWGW-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CSCc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000490866677 339842301 /nfs/dbraw/zinc/84/23/01/339842301.db2.gz BUYMRUWKGBIXHF-UHFFFAOYSA-N -1 3 313.422 3.848 20 0 DHADHM CC=C(C=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)CC ZINC000492154894 339892973 /nfs/dbraw/zinc/89/29/73/339892973.db2.gz HDJWTEYVZSWBIN-FXOGOKQBSA-N -1 3 323.396 3.596 20 0 DHADHM COc1cccc(/C=C/C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000493246787 339920999 /nfs/dbraw/zinc/92/09/99/339920999.db2.gz BMWCCBHEGWBVHP-CMDGGOBGSA-N -1 3 303.745 3.706 20 0 DHADHM COc1ccccc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000495355370 339981341 /nfs/dbraw/zinc/98/13/41/339981341.db2.gz HEAUZTCHNXCFCD-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000496881375 340015239 /nfs/dbraw/zinc/01/52/39/340015239.db2.gz IVOOCGIRKBOXMU-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1ccc(F)c(C(=O)[N-]c2ccc(F)c(F)c2F)c1F ZINC000499125632 340030400 /nfs/dbraw/zinc/03/04/00/340030400.db2.gz ATDVDQGUZQKSFQ-UHFFFAOYSA-N -1 3 301.214 3.943 20 0 DHADHM Cc1cc(C(=O)NCCc2csc3ccccc23)ccc1[O-] ZINC000499629192 340041698 /nfs/dbraw/zinc/04/16/98/340041698.db2.gz BRVXLIYTAQHXPR-UHFFFAOYSA-N -1 3 311.406 3.888 20 0 DHADHM Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)ccc1[O-] ZINC000499954355 340047531 /nfs/dbraw/zinc/04/75/31/340047531.db2.gz KGTVOWDXRRNPJH-GOSISDBHSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000499998944 340048446 /nfs/dbraw/zinc/04/84/46/340048446.db2.gz HSFVUWVHZYZKNZ-KRWDZBQOSA-N -1 3 309.409 3.796 20 0 DHADHM CCc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])cs1 ZINC000501946493 340091116 /nfs/dbraw/zinc/09/11/16/340091116.db2.gz MDCIYFQDYXKVBZ-UHFFFAOYSA-N -1 3 318.442 3.890 20 0 DHADHM CCc1ccc(CCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000502009712 340092740 /nfs/dbraw/zinc/09/27/40/340092740.db2.gz YLAGTMJMSUALHV-UHFFFAOYSA-N -1 3 309.409 3.867 20 0 DHADHM Cc1ccc(NC(=O)[C@@H](C)Cn2ccc3ccccc32)c([O-])c1 ZINC000504651915 340150571 /nfs/dbraw/zinc/15/05/71/340150571.db2.gz YKHJXRCTDQCSLM-AWEZNQCLSA-N -1 3 308.381 3.930 20 0 DHADHM CC(C)(C)C1CC(NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000504922467 340156360 /nfs/dbraw/zinc/15/63/60/340156360.db2.gz BHRMAUIFFSWEOS-UHFFFAOYSA-N -1 3 315.335 3.966 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000506230707 340189383 /nfs/dbraw/zinc/18/93/83/340189383.db2.gz GEYZQZCVRJQNKQ-SECBINFHSA-N -1 3 322.257 3.850 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)c([O-])c1 ZINC000506231310 340189454 /nfs/dbraw/zinc/18/94/54/340189454.db2.gz NOYIAQWXLFTXDY-HNNXBMFYSA-N -1 3 323.392 3.998 20 0 DHADHM CCN(Cc1c(F)ccc([O-])c1F)[C@H](C)c1cccc(O)c1 ZINC000507572825 340225300 /nfs/dbraw/zinc/22/53/00/340225300.db2.gz YUGAJOLOCLICQP-LLVKDONJSA-N -1 3 307.340 3.959 20 0 DHADHM CN(CCN(C)c1ccccc1)Cc1cccc([O-])c1Cl ZINC000508355111 340242760 /nfs/dbraw/zinc/24/27/60/340242760.db2.gz QPXCCJGQXBSWMZ-UHFFFAOYSA-N -1 3 304.821 3.614 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1ccc(OC)cc1 ZINC000508605787 340247628 /nfs/dbraw/zinc/24/76/28/340247628.db2.gz UXVSJIMTHSSCKG-UHFFFAOYSA-N -1 3 319.788 3.650 20 0 DHADHM CCC(CC)[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000508788344 340253115 /nfs/dbraw/zinc/25/31/15/340253115.db2.gz FIVRLHNDKNWUPL-AWEZNQCLSA-N -1 3 313.444 3.797 20 0 DHADHM Cc1cc(C)cc(CCNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508921517 340255859 /nfs/dbraw/zinc/25/58/59/340255859.db2.gz JULQDEBNOFYPGE-UHFFFAOYSA-N -1 3 317.816 3.564 20 0 DHADHM Cc1cc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000508994321 340257569 /nfs/dbraw/zinc/25/75/69/340257569.db2.gz CZTMMPUCMGPJDO-LLVKDONJSA-N -1 3 321.779 3.913 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000509063018 340260098 /nfs/dbraw/zinc/26/00/98/340260098.db2.gz BNIOVOZJWIKXBH-UHFFFAOYSA-N -1 3 302.333 3.611 20 0 DHADHM Cc1cccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1[O-] ZINC000302936161 340287960 /nfs/dbraw/zinc/28/79/60/340287960.db2.gz AFZVYBDIMDVXOH-CQSZACIVSA-N -1 3 317.772 3.608 20 0 DHADHM CC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1F ZINC000510139134 340290179 /nfs/dbraw/zinc/29/01/79/340290179.db2.gz IJEBJACNFBOOEJ-UHFFFAOYSA-N -1 3 316.719 3.998 20 0 DHADHM Cc1ccc(OCCCNCc2c(F)ccc([O-])c2F)cc1 ZINC000510459839 340300103 /nfs/dbraw/zinc/30/01/03/340300103.db2.gz LRIRFSZTRBQLCB-UHFFFAOYSA-N -1 3 307.340 3.538 20 0 DHADHM CC1(c2ccccc2)CC(NCc2c(F)ccc([O-])c2F)C1 ZINC000510731730 340308490 /nfs/dbraw/zinc/30/84/90/340308490.db2.gz OKAXJSFCQNRIJZ-UHFFFAOYSA-N -1 3 303.352 3.880 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000510841058 340312734 /nfs/dbraw/zinc/31/27/34/340312734.db2.gz IEGFUCQTHFRSSH-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000510841058 340312735 /nfs/dbraw/zinc/31/27/35/340312735.db2.gz IEGFUCQTHFRSSH-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000510841058 340312736 /nfs/dbraw/zinc/31/27/36/340312736.db2.gz IEGFUCQTHFRSSH-YNEHKIRRSA-N -1 3 314.389 3.610 20 0 DHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000511694355 340335509 /nfs/dbraw/zinc/33/55/09/340335509.db2.gz ACTXSNZSYSFVQX-AWEZNQCLSA-N -1 3 319.426 3.973 20 0 DHADHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000303774177 340346194 /nfs/dbraw/zinc/34/61/94/340346194.db2.gz NJSLSQSTQUCQIF-MEDUHNTESA-N -1 3 319.788 3.552 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1 ZINC000304070687 340359607 /nfs/dbraw/zinc/35/96/07/340359607.db2.gz UITIWOQCAUPIPG-RDJZCZTQSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1cccc([C@H](NC(=O)c2cccc([O-])c2)C(F)(F)F)c1 ZINC000512476332 340363276 /nfs/dbraw/zinc/36/32/76/340363276.db2.gz AHQSEWFRRWDRPV-AWEZNQCLSA-N -1 3 309.287 3.734 20 0 DHADHM [O-]c1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1Cl ZINC000512623428 340369476 /nfs/dbraw/zinc/36/94/76/340369476.db2.gz SIFRFHKSKCSZKC-GOSISDBHSA-N -1 3 315.800 3.677 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc(Cl)cc2F)c1F ZINC000512705032 340373649 /nfs/dbraw/zinc/37/36/49/340373649.db2.gz BFVZUMHTVBUZGU-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000512903679 340383460 /nfs/dbraw/zinc/38/34/60/340383460.db2.gz DMQZUHHOTYBCGT-TZMCWYRMSA-N -1 3 305.418 3.833 20 0 DHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000520834271 340456154 /nfs/dbraw/zinc/45/61/54/340456154.db2.gz YEVVTUDQQAQFIF-XYPYZODXSA-N -1 3 321.364 3.562 20 0 DHADHM CCCn1ncc(NC(=O)c2cccc(CC)c2[O-])c1C1CC1 ZINC000517294029 340467615 /nfs/dbraw/zinc/46/76/15/340467615.db2.gz ZGVLJEFSGDTJOH-UHFFFAOYSA-N -1 3 313.401 3.691 20 0 DHADHM CC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000517497886 340470707 /nfs/dbraw/zinc/47/07/07/340470707.db2.gz LJLQFEWQVNGZQP-UHFFFAOYSA-N -1 3 321.364 3.564 20 0 DHADHM O=C(COc1ccc2ccccc2c1)Nc1ccc([O-])cc1F ZINC000183272307 340487294 /nfs/dbraw/zinc/48/72/94/340487294.db2.gz GQCPZRUYVCALMY-UHFFFAOYSA-N -1 3 311.312 3.702 20 0 DHADHM O=C(C=Cc1cccc([O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000189150244 340528021 /nfs/dbraw/zinc/52/80/21/340528021.db2.gz NMLFRWAHNMSRNG-RNVIBTMRSA-N -1 3 319.360 3.512 20 0 DHADHM Cc1c(Br)cccc1CC(=O)Nc1ccccc1[O-] ZINC000189221161 340530476 /nfs/dbraw/zinc/53/04/76/340530476.db2.gz ITFMWVWXGLOVSS-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2cccc(Cl)c2F)no1 ZINC000226853849 340592371 /nfs/dbraw/zinc/59/23/71/340592371.db2.gz OZODTIICGBKKPR-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM COc1cccc(-c2nc(Cc3cccc(Cl)c3)no2)c1[O-] ZINC000316008400 340677754 /nfs/dbraw/zinc/67/77/54/340677754.db2.gz JTROPOGOQVRSRB-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cc(C(C)(C)C)on2)c1[O-] ZINC000525242087 340696640 /nfs/dbraw/zinc/69/66/40/340696640.db2.gz KKEXXLRFHNJOEK-UHFFFAOYSA-N -1 3 308.765 3.892 20 0 DHADHM CCO[C@@H](c1noc(-c2cc(C)ccc2[O-])n1)c1ccccc1 ZINC000322456302 340704774 /nfs/dbraw/zinc/70/47/74/340704774.db2.gz HQMWTPASFQPQLR-MRXNPFEDSA-N -1 3 310.353 3.877 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)c([O-])c1 ZINC000529935884 340773992 /nfs/dbraw/zinc/77/39/92/340773992.db2.gz QCXPEYQARNQKFH-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccccc1[O-] ZINC000529951344 340774756 /nfs/dbraw/zinc/77/47/56/340774756.db2.gz ZBKXGCPDFPNJRJ-INIZCTEOSA-N -1 3 313.372 3.940 20 0 DHADHM C[C@@H]1CC(F)(F)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000530008782 340776033 /nfs/dbraw/zinc/77/60/33/340776033.db2.gz LAHKQRVCHFDPQO-LLVKDONJSA-N -1 3 315.335 3.500 20 0 DHADHM O=C(Cc1ccc(F)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125328489 340803732 /nfs/dbraw/zinc/80/37/32/340803732.db2.gz CVWQYSMJJJLCQC-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM Cn1ncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1C(F)F ZINC000538252417 340815122 /nfs/dbraw/zinc/81/51/22/340815122.db2.gz WUHQUMHBQGSPMR-UHFFFAOYSA-N -1 3 321.661 3.542 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 ZINC000538788563 340851837 /nfs/dbraw/zinc/85/18/37/340851837.db2.gz NZTAJAJXPMMXTO-LLVKDONJSA-N -1 3 315.344 3.521 20 0 DHADHM Cc1cc(OCC(=O)Nc2cccc([O-])c2F)ccc1Cl ZINC000128325581 340874594 /nfs/dbraw/zinc/87/45/94/340874594.db2.gz SGZKWERYJWKHFG-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCc1cccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1[O-] ZINC000539865840 340907627 /nfs/dbraw/zinc/90/76/27/340907627.db2.gz HKBGLMBVMIOBOS-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cc2cccnc21 ZINC000129104254 340945461 /nfs/dbraw/zinc/94/54/61/340945461.db2.gz HHGVIBLZJLDUBP-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(CSc1ccccc1Cl)Nc1cccc([O-])c1F ZINC000129440971 340960534 /nfs/dbraw/zinc/96/05/34/340960534.db2.gz DSDDXJKDOZNMIM-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(C)c3[O-])C2)cc1 ZINC000542407887 341006946 /nfs/dbraw/zinc/00/69/46/341006946.db2.gz JFKGSQKXVYNJPA-QGZVFWFLSA-N -1 3 309.409 3.947 20 0 DHADHM CCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)c1ccc(F)cc1 ZINC000542499230 341010600 /nfs/dbraw/zinc/01/06/00/341010600.db2.gz MFLYDNNPRVJNOX-UHFFFAOYSA-N -1 3 324.355 3.642 20 0 DHADHM COc1ccc2cc(-c3nc4cc(F)ccc4c(=O)[n-]3)ccc2c1 ZINC000543118159 341032605 /nfs/dbraw/zinc/03/26/05/341032605.db2.gz LCKXQLMEFFBNIX-UHFFFAOYSA-N -1 3 320.323 3.891 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@@H]1c1ccccn1 ZINC000543617887 341051177 /nfs/dbraw/zinc/05/11/77/341051177.db2.gz IFXCAYLTKBVQJW-GOSISDBHSA-N -1 3 322.408 3.643 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccn(Cc2ccccc2)c1 ZINC000543850156 341061585 /nfs/dbraw/zinc/06/15/85/341061585.db2.gz JREPYKAOZHCUAI-UHFFFAOYSA-N -1 3 310.328 3.633 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000544417828 341081376 /nfs/dbraw/zinc/08/13/76/341081376.db2.gz BYUQHLUXJLKBRF-NSHDSACASA-N -1 3 324.421 3.815 20 0 DHADHM CCCC[C@@H](CC)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131608079 341101369 /nfs/dbraw/zinc/10/13/69/341101369.db2.gz WRLAAGLIPFSOPI-GFCCVEGCSA-N -1 3 307.463 3.633 20 0 DHADHM CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000131927565 341113698 /nfs/dbraw/zinc/11/36/98/341113698.db2.gz UVMZULSMIKGJTG-OAHLLOKOSA-N -1 3 317.816 3.726 20 0 DHADHM C[C@@H]1CCN(C(=O)CC2CCSCC2)c2c([O-])cccc21 ZINC000545246152 341117161 /nfs/dbraw/zinc/11/71/61/341117161.db2.gz REOLIXOCKUZFED-GFCCVEGCSA-N -1 3 305.443 3.766 20 0 DHADHM O=C(Cc1cnc2ccccc2c1)Nc1ccc(Cl)cc1[O-] ZINC000133133789 341156837 /nfs/dbraw/zinc/15/68/37/341156837.db2.gz JUGXAPPUGVNLAI-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM [O-]c1cccnc1CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000564303613 341171513 /nfs/dbraw/zinc/17/15/13/341171513.db2.gz KCFHBMWYWAMTNP-UHFFFAOYSA-N -1 3 320.795 3.901 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1 ZINC000133416423 341174953 /nfs/dbraw/zinc/17/49/53/341174953.db2.gz ZQARSZFGAWNFKY-CYBMUJFWSA-N -1 3 307.390 3.680 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([O-])c1 ZINC000076518673 341208826 /nfs/dbraw/zinc/20/88/26/341208826.db2.gz RLGUEHRIQRSZKT-UKRRQHHQSA-N -1 3 313.372 3.858 20 0 DHADHM COc1cccc(C(=O)N(C)Cc2cccc3ccccc32)c1[O-] ZINC000078260710 341239256 /nfs/dbraw/zinc/23/92/56/341239256.db2.gz XFJFQJNSYNLNLG-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM Cc1ccccc1OCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000548090131 341246508 /nfs/dbraw/zinc/24/65/08/341246508.db2.gz WUPWDIFIFVUWOB-UHFFFAOYSA-N -1 3 321.376 3.663 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ncoc1-c1ccc(F)cc1 ZINC000548105118 341247388 /nfs/dbraw/zinc/24/73/88/341247388.db2.gz GOPJYLWEGHYUJZ-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1Cl ZINC000135884737 341247656 /nfs/dbraw/zinc/24/76/56/341247656.db2.gz JGEIFGPLRGQJLC-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2C)c1[O-] ZINC000079138410 341254331 /nfs/dbraw/zinc/25/43/31/341254331.db2.gz CYQWBXSFTIWSDL-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000079173184 341254865 /nfs/dbraw/zinc/25/48/65/341254865.db2.gz LUGQGZQJPDEJHB-MRXNPFEDSA-N -1 3 315.344 3.517 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4cc[nH]c43)n[n-]2)o1 ZINC000548472985 341262530 /nfs/dbraw/zinc/26/25/30/341262530.db2.gz KLVOELWQVOQACJ-UHFFFAOYSA-N -1 3 306.325 3.712 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4cc[nH]c43)[n-]n2)o1 ZINC000548472985 341262531 /nfs/dbraw/zinc/26/25/31/341262531.db2.gz KLVOELWQVOQACJ-UHFFFAOYSA-N -1 3 306.325 3.712 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)c([O-])c1 ZINC000548890831 341280077 /nfs/dbraw/zinc/28/00/77/341280077.db2.gz LAAIKLDKDNEUGM-UHFFFAOYSA-N -1 3 323.396 3.747 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1Oc1ccncc1 ZINC000548906126 341280569 /nfs/dbraw/zinc/28/05/69/341280569.db2.gz GCQHRRJARIAYQO-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM C[C@H](F)CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000549525083 341295902 /nfs/dbraw/zinc/29/59/02/341295902.db2.gz WQTQQVGKTYHKLQ-JTQLQIEISA-N -1 3 315.797 3.520 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000549807922 341303625 /nfs/dbraw/zinc/30/36/25/341303625.db2.gz MHBLIKKGOSLTMH-JTQLQIEISA-N -1 3 323.318 3.973 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2ccccc21 ZINC000549807922 341303626 /nfs/dbraw/zinc/30/36/26/341303626.db2.gz MHBLIKKGOSLTMH-JTQLQIEISA-N -1 3 323.318 3.973 20 0 DHADHM Cc1cc2cc(CNc3ccc4c(c3)C(=O)[N-]C4=O)oc2cc1C ZINC000551078920 341331084 /nfs/dbraw/zinc/33/10/84/341331084.db2.gz GTCBNDYNITZEIN-UHFFFAOYSA-N -1 3 320.348 3.545 20 0 DHADHM Cc1cccc(O[C@H](C)CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000551104468 341331870 /nfs/dbraw/zinc/33/18/70/341331870.db2.gz HYMZNSBZANKNMT-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM [O-]c1ccc(-c2noc(CCOCC3CC3)n2)c2ccccc12 ZINC000551256124 341335666 /nfs/dbraw/zinc/33/56/66/341335666.db2.gz ARJDJKMJBWTPRG-UHFFFAOYSA-N -1 3 310.353 3.565 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000552004823 341359158 /nfs/dbraw/zinc/35/91/58/341359158.db2.gz XAVLKWDCZBJJPU-RISCZKNCSA-N -1 3 303.793 3.652 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(F)cc3cccnc32)c1[O-] ZINC000552288266 341384419 /nfs/dbraw/zinc/38/44/19/341384419.db2.gz LNHKPUASLJKSQX-UHFFFAOYSA-N -1 3 324.311 3.534 20 0 DHADHM COc1cccc(CCC(=O)Nc2ccc(Cl)cc2[O-])c1F ZINC000552396392 341391247 /nfs/dbraw/zinc/39/12/47/341391247.db2.gz QBVORNCKRCHBMP-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000089399873 341404180 /nfs/dbraw/zinc/40/41/80/341404180.db2.gz TUYZYBCRGINKTL-UHFFFAOYSA-N -1 3 303.343 3.514 20 0 DHADHM Cc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)cc1 ZINC000163092909 341492119 /nfs/dbraw/zinc/49/21/19/341492119.db2.gz XEXMXZOKTROMDY-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])o1 ZINC000556019417 341492517 /nfs/dbraw/zinc/49/25/17/341492517.db2.gz NQUMDGREHITPSB-UHFFFAOYSA-N -1 3 301.342 3.738 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000153680638 341576793 /nfs/dbraw/zinc/57/67/93/341576793.db2.gz XJRQTMGGKMJSCO-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000567335783 341596321 /nfs/dbraw/zinc/59/63/21/341596321.db2.gz DYIPXGBPXJALKD-XPKDYRNWSA-N -1 3 305.393 3.501 20 0 DHADHM CCc1sc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1C ZINC000567419568 341603111 /nfs/dbraw/zinc/60/31/11/341603111.db2.gz IKFZZLWBVDCBOL-UHFFFAOYSA-N -1 3 311.370 3.607 20 0 DHADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nn1[C@H](C)C1CC1 ZINC000575071193 341775236 /nfs/dbraw/zinc/77/52/36/341775236.db2.gz RDXSEDGILSGRNY-SNVBAGLBSA-N -1 3 319.792 3.774 20 0 DHADHM Cc1cc(F)ccc1Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000575205941 341785817 /nfs/dbraw/zinc/78/58/17/341785817.db2.gz GXJGLEONEUBPIE-VMPITWQZSA-N -1 3 310.328 3.984 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC(C)(C)c3ccccc32)c1 ZINC000576311729 341839724 /nfs/dbraw/zinc/83/97/24/341839724.db2.gz WLBZBXORQNXWIC-UHFFFAOYSA-N -1 3 311.381 3.729 20 0 DHADHM [O-]c1cccnc1CN[C@H](COc1ccccc1)c1ccccc1 ZINC000577100153 341885841 /nfs/dbraw/zinc/88/58/41/341885841.db2.gz BJPVPBCGRSLRRL-LJQANCHMSA-N -1 3 320.392 3.697 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000354827752 517747715 /nfs/dbraw/zinc/74/77/15/517747715.db2.gz WVYHSIUHLIUQSN-JTQLQIEISA-N -1 3 301.839 3.649 20 0 DHADHM CC(C)(C)C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000265393268 518607829 /nfs/dbraw/zinc/60/78/29/518607829.db2.gz VGENAEAZUBWLMD-UHFFFAOYSA-N -1 3 312.413 3.839 20 0 DHADHM CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186311075 519709815 /nfs/dbraw/zinc/70/98/15/519709815.db2.gz GYZNHTAZAJUQHA-GFCCVEGCSA-N -1 3 324.380 3.505 20 0 DHADHM CC(C)OCc1ccc(NC([O-])=NOCCC(F)(F)F)cc1 ZINC000156872586 519775483 /nfs/dbraw/zinc/77/54/83/519775483.db2.gz VNRUQGIESZAFQN-UHFFFAOYSA-N -1 3 320.311 3.617 20 0 DHADHM CC(C)OCc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156872586 519775485 /nfs/dbraw/zinc/77/54/85/519775485.db2.gz VNRUQGIESZAFQN-UHFFFAOYSA-N -1 3 320.311 3.617 20 0 DHADHM CCCCOc1ccc(OC)cc1NC(=O)c1cccc([O-])c1 ZINC000181961041 520892877 /nfs/dbraw/zinc/89/28/77/520892877.db2.gz QCAHHEIPRCKYQJ-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM CCCCOc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156841175 520906373 /nfs/dbraw/zinc/90/63/73/520906373.db2.gz OJVXYHMFSNHDPT-UHFFFAOYSA-N -1 3 320.311 3.871 20 0 DHADHM CCCCOc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156841175 520906381 /nfs/dbraw/zinc/90/63/81/520906381.db2.gz OJVXYHMFSNHDPT-UHFFFAOYSA-N -1 3 320.311 3.871 20 0 DHADHM CCCc1ncc(-c2nc(-c3ccc([O-])c(OC)c3)no2)s1 ZINC000266534559 521544006 /nfs/dbraw/zinc/54/40/06/521544006.db2.gz FWZTTZRCMOAHCI-UHFFFAOYSA-N -1 3 317.370 3.527 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1oc2ccccc2c1COC ZINC000339177760 522877858 /nfs/dbraw/zinc/87/78/58/522877858.db2.gz DZIWLUMOVOHRBS-UHFFFAOYSA-N -1 3 314.341 3.690 20 0 DHADHM CC[C@@H](NCc1ccc([O-])c2nc(C)ccc12)c1nccs1 ZINC000338293213 522878535 /nfs/dbraw/zinc/87/85/35/522878535.db2.gz SPENFIYPMHVYCQ-CQSZACIVSA-N -1 3 313.426 3.946 20 0 DHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)cc1 ZINC000339227972 523561276 /nfs/dbraw/zinc/56/12/76/523561276.db2.gz JHBDKZPKPAWSSI-UHFFFAOYSA-N -1 3 323.327 3.857 20 0 DHADHM CCc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000190753717 523881859 /nfs/dbraw/zinc/88/18/59/523881859.db2.gz DVHRSDZYTLWPRO-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC(C)(C)C1 ZINC000338798809 524526655 /nfs/dbraw/zinc/52/66/55/524526655.db2.gz CJDFLCSCIXLMAG-SNVBAGLBSA-N -1 3 315.335 3.919 20 0 DHADHM Cc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)c([O-])c1 ZINC000106282869 525094954 /nfs/dbraw/zinc/09/49/54/525094954.db2.gz OCGASVYCSNMWGF-UHFFFAOYSA-N -1 3 314.366 3.598 20 0 DHADHM Cc1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1OC(C)C ZINC000157486105 525196891 /nfs/dbraw/zinc/19/68/91/525196891.db2.gz JIZXFDWGCCOFQG-UHFFFAOYSA-N -1 3 320.311 3.788 20 0 DHADHM Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c([O-])c1 ZINC000132496465 525255842 /nfs/dbraw/zinc/25/58/42/525255842.db2.gz LCLYDTMLTARJFY-UHFFFAOYSA-N -1 3 313.401 3.683 20 0 DHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000266642933 525354801 /nfs/dbraw/zinc/35/48/01/525354801.db2.gz BRFLTOWREDUFIS-NTZNESFSSA-N -1 3 303.431 3.550 20 0 DHADHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ncccc2[O-])c1 ZINC000338084788 526249866 /nfs/dbraw/zinc/24/98/66/526249866.db2.gz LYOYERAOEZWOAD-CYBMUJFWSA-N -1 3 314.385 3.625 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C3\CCOc4ccccc43)n2)cc1 ZINC000365029382 526337924 /nfs/dbraw/zinc/33/79/24/526337924.db2.gz RVCIAKUQTHGJJH-ACCUITESSA-N -1 3 306.321 3.765 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2cc(F)ccc21 ZINC000338359431 526456156 /nfs/dbraw/zinc/45/61/56/526456156.db2.gz MTTDTELWLRZHDQ-UHFFFAOYSA-N -1 3 317.335 3.582 20 0 DHADHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCc2c1cccc2Cl ZINC000157510358 526594604 /nfs/dbraw/zinc/59/46/04/526594604.db2.gz SSAUMYZVDXBFSH-UHFFFAOYSA-N -1 3 313.744 3.526 20 0 DHADHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCc2c1cccc2Cl ZINC000157510358 526594608 /nfs/dbraw/zinc/59/46/08/526594608.db2.gz SSAUMYZVDXBFSH-UHFFFAOYSA-N -1 3 313.744 3.526 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC2(C1)CCCCC2 ZINC000266230294 526626185 /nfs/dbraw/zinc/62/61/85/526626185.db2.gz NLQWSNQGXKJXBE-UHFFFAOYSA-N -1 3 310.397 3.737 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]1c1ccncc1 ZINC000184939779 526730747 /nfs/dbraw/zinc/73/07/47/526730747.db2.gz VBJINRFKLOLHLU-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM O=C([N-]c1nc2c(s1)CCCC2)c1c(F)ccc(F)c1F ZINC000120402345 527511189 /nfs/dbraw/zinc/51/11/89/527511189.db2.gz OEEPCNBJIBMFDO-UHFFFAOYSA-N -1 3 312.316 3.692 20 0 DHADHM CC(C)(C)c1csc(CNCc2c(F)ccc([O-])c2F)n1 ZINC000293767057 535148860 /nfs/dbraw/zinc/14/88/60/535148860.db2.gz ZOQQBBISFPYJNE-UHFFFAOYSA-N -1 3 312.385 3.714 20 0 DHADHM CCC(CC)n1ccc(C(=O)N2CCCc3cccc([O-])c32)n1 ZINC000272376437 535163787 /nfs/dbraw/zinc/16/37/87/535163787.db2.gz BIJFAMDMNHUBJR-UHFFFAOYSA-N -1 3 313.401 3.543 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Oc2ccccc2)cc1 ZINC000012510660 563797081 /nfs/dbraw/zinc/79/70/81/563797081.db2.gz HDVVWQQDMUWDIT-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM c1ccc2cc(CSc3cc(-c4nnn[n-]4)ccn3)ccc2c1 ZINC000738443483 598825242 /nfs/dbraw/zinc/82/52/42/598825242.db2.gz WRPJHROJKRLKAK-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2cc(CSc3cc(-c4nn[n-]n4)ccn3)ccc2c1 ZINC000738443483 598825243 /nfs/dbraw/zinc/82/52/43/598825243.db2.gz WRPJHROJKRLKAK-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM Clc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737575627 598935584 /nfs/dbraw/zinc/93/55/84/598935584.db2.gz ZEZBHQLWPQZHSR-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Clc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737575627 598935586 /nfs/dbraw/zinc/93/55/86/598935586.db2.gz ZEZBHQLWPQZHSR-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Fc1ccc(N[C@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822778458 599053835 /nfs/dbraw/zinc/05/38/35/599053835.db2.gz IIFZZSYOOGHQFQ-QGZVFWFLSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1ccc(N[C@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822778458 599053838 /nfs/dbraw/zinc/05/38/38/599053838.db2.gz IIFZZSYOOGHQFQ-QGZVFWFLSA-N -1 3 323.375 3.959 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000736138675 598236528 /nfs/dbraw/zinc/23/65/28/598236528.db2.gz NOXVCQJTBYXVHK-ZETCQYMHSA-N -1 3 323.784 3.894 20 0 DHADHM Fc1cccc(S[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000737663691 598243371 /nfs/dbraw/zinc/24/33/71/598243371.db2.gz JSSHDMQTKJBWDJ-CYBMUJFWSA-N -1 3 312.373 3.785 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736445708 598494724 /nfs/dbraw/zinc/49/47/24/598494724.db2.gz MJXCFZXOAICENG-LLVKDONJSA-N -1 3 321.450 3.863 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736445708 598494725 /nfs/dbraw/zinc/49/47/25/598494725.db2.gz MJXCFZXOAICENG-LLVKDONJSA-N -1 3 321.450 3.863 20 0 DHADHM Cc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737343668 598694650 /nfs/dbraw/zinc/69/46/50/598694650.db2.gz SBMAPGCZJYKXMI-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM Cc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737343668 598694652 /nfs/dbraw/zinc/69/46/52/598694652.db2.gz SBMAPGCZJYKXMI-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000737342847 598791867 /nfs/dbraw/zinc/79/18/67/598791867.db2.gz RUYCCTVZEFUIGQ-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000737342847 598791868 /nfs/dbraw/zinc/79/18/68/598791868.db2.gz RUYCCTVZEFUIGQ-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736065620 598794106 /nfs/dbraw/zinc/79/41/06/598794106.db2.gz FLQVSDSOTYRCGK-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736065620 598794107 /nfs/dbraw/zinc/79/41/07/598794107.db2.gz FLQVSDSOTYRCGK-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736197900 598814894 /nfs/dbraw/zinc/81/48/94/598814894.db2.gz DBFVYGBTRNSUGW-NSHDSACASA-N -1 3 313.792 3.718 20 0 DHADHM CCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736624707 599324498 /nfs/dbraw/zinc/32/44/98/599324498.db2.gz FPCSKKIBHBRTFB-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736624707 599324500 /nfs/dbraw/zinc/32/45/00/599324500.db2.gz FPCSKKIBHBRTFB-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C(C)C)cc1 ZINC000821737049 607369427 /nfs/dbraw/zinc/36/94/27/607369427.db2.gz RAJDUEYPVZPRKU-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C(C)C)cc1 ZINC000821737049 607369429 /nfs/dbraw/zinc/36/94/29/607369429.db2.gz RAJDUEYPVZPRKU-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM Cc1cc(CSc2ccccc2-c2nnn[n-]2)c(C)s1 ZINC000822201252 599350411 /nfs/dbraw/zinc/35/04/11/599350411.db2.gz XPEKYIPSRWAROE-UHFFFAOYSA-N -1 3 302.428 3.837 20 0 DHADHM Cc1cc(CSc2ccccc2-c2nn[n-]n2)c(C)s1 ZINC000822201252 599350414 /nfs/dbraw/zinc/35/04/14/599350414.db2.gz XPEKYIPSRWAROE-UHFFFAOYSA-N -1 3 302.428 3.837 20 0 DHADHM Cc1cccc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737396336 599363698 /nfs/dbraw/zinc/36/36/98/599363698.db2.gz IBSGUWDFTKRVLK-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1cccc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737396336 599363701 /nfs/dbraw/zinc/36/37/01/599363701.db2.gz IBSGUWDFTKRVLK-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM C[C@H](Nc1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461887 599374000 /nfs/dbraw/zinc/37/40/00/599374000.db2.gz SGBXBTDGKVFHSQ-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461887 599374003 /nfs/dbraw/zinc/37/40/03/599374003.db2.gz SGBXBTDGKVFHSQ-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736136226 599431498 /nfs/dbraw/zinc/43/14/98/599431498.db2.gz FHILYZRAOWFLHN-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736136226 599431500 /nfs/dbraw/zinc/43/15/00/599431500.db2.gz FHILYZRAOWFLHN-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](CCC(C)(C)C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735986607 599442516 /nfs/dbraw/zinc/44/25/16/599442516.db2.gz SXDIPKQHMAOGKB-VIFPVBQESA-N -1 3 308.817 3.542 20 0 DHADHM C[C@@H](CCC(C)(C)C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735986607 599442519 /nfs/dbraw/zinc/44/25/19/599442519.db2.gz SXDIPKQHMAOGKB-VIFPVBQESA-N -1 3 308.817 3.542 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000822229023 599487844 /nfs/dbraw/zinc/48/78/44/599487844.db2.gz KSGRFQTVZIBHLE-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000822229023 599487845 /nfs/dbraw/zinc/48/78/45/599487845.db2.gz KSGRFQTVZIBHLE-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cc2ccccc2[nH]1 ZINC000822586023 599503252 /nfs/dbraw/zinc/50/32/52/599503252.db2.gz QVJUTOYOYJDRAT-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cc2ccccc2[nH]1 ZINC000822586023 599503254 /nfs/dbraw/zinc/50/32/54/599503254.db2.gz QVJUTOYOYJDRAT-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000822229272 599503986 /nfs/dbraw/zinc/50/39/86/599503986.db2.gz QRZVRUFJPLWQSE-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000822229272 599503987 /nfs/dbraw/zinc/50/39/87/599503987.db2.gz QRZVRUFJPLWQSE-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Clc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737574775 599510214 /nfs/dbraw/zinc/51/02/14/599510214.db2.gz PDYQMPPTWWVEHL-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737574775 599510217 /nfs/dbraw/zinc/51/02/17/599510217.db2.gz PDYQMPPTWWVEHL-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736188873 599521827 /nfs/dbraw/zinc/52/18/27/599521827.db2.gz MCEVWMQYMWFNMH-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736188873 599521829 /nfs/dbraw/zinc/52/18/29/599521829.db2.gz MCEVWMQYMWFNMH-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM CCCCCC[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821050241 599623183 /nfs/dbraw/zinc/62/31/83/599623183.db2.gz PUPRKOZOWRZLEY-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCCC[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821050241 599623184 /nfs/dbraw/zinc/62/31/84/599623184.db2.gz PUPRKOZOWRZLEY-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000822323804 599691706 /nfs/dbraw/zinc/69/17/06/599691706.db2.gz OGPBBVHBGADFLT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000822323804 599691707 /nfs/dbraw/zinc/69/17/07/599691707.db2.gz OGPBBVHBGADFLT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)o1 ZINC000740124260 599795345 /nfs/dbraw/zinc/79/53/45/599795345.db2.gz ONPUCDVIZRMZHM-UHFFFAOYSA-N -1 3 321.323 3.636 20 0 DHADHM Cc1[nH]c(C(=O)CN(C(C)C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738237888 600099604 /nfs/dbraw/zinc/09/96/04/600099604.db2.gz XTKFWNCEBBIREK-UHFFFAOYSA-N -1 3 320.433 3.556 20 0 DHADHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736514747 600428884 /nfs/dbraw/zinc/42/88/84/600428884.db2.gz YOLLQVGEURWBSU-QGZVFWFLSA-N -1 3 301.361 3.865 20 0 DHADHM Clc1ccc(Cl)c(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822574344 607453556 /nfs/dbraw/zinc/45/35/56/607453556.db2.gz RXXYKWTVGMDCIK-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM Clc1ccc(Cl)c(OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822574344 607453557 /nfs/dbraw/zinc/45/35/57/607453557.db2.gz RXXYKWTVGMDCIK-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000263572253 600965497 /nfs/dbraw/zinc/96/54/97/600965497.db2.gz KRLPDLWKQWVNNU-GFCCVEGCSA-N -1 3 318.442 3.905 20 0 DHADHM C[C@@H](CN(Cc1cc(Cl)ccc1Cl)C1CC1)C(=O)[O-] ZINC000563541641 600977784 /nfs/dbraw/zinc/97/77/84/600977784.db2.gz PEZJKIIQZJMYSV-VIFPVBQESA-N -1 3 302.201 3.679 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CNC1(c2ccccc2)CCC1 ZINC000833032159 601616441 /nfs/dbraw/zinc/61/64/41/601616441.db2.gz UKLKMVWPSCQLDU-UHFFFAOYSA-N -1 3 301.411 3.924 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000829718431 601641673 /nfs/dbraw/zinc/64/16/73/601641673.db2.gz KRZWYSDBCJNXHZ-LBPRGKRZSA-N -1 3 317.360 3.813 20 0 DHADHM COc1c(C)cc(CN(C)Cc2ccsc2C(=O)[O-])cc1C ZINC000579133081 601821365 /nfs/dbraw/zinc/82/13/65/601821365.db2.gz USXPSKFRTDCDGN-UHFFFAOYSA-N -1 3 319.426 3.704 20 0 DHADHM COc1ccccc1[C@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000578076610 601821444 /nfs/dbraw/zinc/82/14/44/601821444.db2.gz RDGQBTQCRKVYMJ-CQSZACIVSA-N -1 3 317.410 3.792 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652440622 601970601 /nfs/dbraw/zinc/97/06/01/601970601.db2.gz LDQJOMDJDUEKTP-RYUDHWBXSA-N -1 3 316.426 3.881 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1coc(-c2cccs2)n1 ZINC000828803902 602210570 /nfs/dbraw/zinc/21/05/70/602210570.db2.gz DFRZIHQOPNQQCK-UHFFFAOYSA-N -1 3 308.403 3.526 20 0 DHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000826250233 607646155 /nfs/dbraw/zinc/64/61/55/607646155.db2.gz QMMFGMINZAEPCX-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000826250233 607646156 /nfs/dbraw/zinc/64/61/56/607646156.db2.gz QMMFGMINZAEPCX-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000827728237 604287813 /nfs/dbraw/zinc/28/78/13/604287813.db2.gz QDMRNHKGGOFDOI-NXEZZACHSA-N -1 3 317.216 3.786 20 0 DHADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000263443411 604529661 /nfs/dbraw/zinc/52/96/61/604529661.db2.gz XCZHWVJQZZZNDP-CQSZACIVSA-N -1 3 305.374 3.603 20 0 DHADHM C[C@@H](c1c(F)cccc1F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000317297364 604951540 /nfs/dbraw/zinc/95/15/40/604951540.db2.gz RHJRCBOZFHYWFM-RYUDHWBXSA-N -1 3 311.372 3.849 20 0 DHADHM CC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000833644040 605062894 /nfs/dbraw/zinc/06/28/94/605062894.db2.gz KNLZCXJENJDRHU-KRWDZBQOSA-N -1 3 317.360 3.773 20 0 DHADHM CC(C)N(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC1CC1 ZINC000569230714 605214923 /nfs/dbraw/zinc/21/49/23/605214923.db2.gz VROGEZPGUDVRLK-UHFFFAOYSA-N -1 3 314.385 3.660 20 0 DHADHM O=C([O-])NC1CCN(Cc2cc(-c3ccccc3)cs2)CC1 ZINC000834189719 605487332 /nfs/dbraw/zinc/48/73/32/605487332.db2.gz ONKKRZNEUQYQMX-UHFFFAOYSA-N -1 3 316.426 3.647 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000135051914 605552025 /nfs/dbraw/zinc/55/20/25/605552025.db2.gz AJGKIHPTLIUIHD-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)nc1 ZINC000834262356 605583921 /nfs/dbraw/zinc/58/39/21/605583921.db2.gz KZEUWNZXJYCVSK-CQSZACIVSA-N -1 3 317.776 3.602 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000834157586 605807715 /nfs/dbraw/zinc/80/77/15/605807715.db2.gz HPYXHPQVABSIBM-KSZLIROESA-N -1 3 323.396 3.576 20 0 DHADHM CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000820056577 606102777 /nfs/dbraw/zinc/10/27/77/606102777.db2.gz QPQHBESSVTWGDM-LBPRGKRZSA-N -1 3 314.418 3.523 20 0 DHADHM CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000820056577 606102779 /nfs/dbraw/zinc/10/27/79/606102779.db2.gz QPQHBESSVTWGDM-LBPRGKRZSA-N -1 3 314.418 3.523 20 0 DHADHM Cc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1Cl ZINC000822324291 606465085 /nfs/dbraw/zinc/46/50/85/606465085.db2.gz YVKAXCSIESWDGE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1Cl ZINC000822324291 606465086 /nfs/dbraw/zinc/46/50/86/606465086.db2.gz YVKAXCSIESWDGE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1sc(NC(=O)C(C)(C)CC(C)C)c(-c2nnn[n-]2)c1C ZINC000822553776 606600952 /nfs/dbraw/zinc/60/09/52/606600952.db2.gz QRRMPCKHCWQLBQ-UHFFFAOYSA-N -1 3 321.450 3.556 20 0 DHADHM Cc1sc(NC(=O)C(C)(C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822553776 606600954 /nfs/dbraw/zinc/60/09/54/606600954.db2.gz QRRMPCKHCWQLBQ-UHFFFAOYSA-N -1 3 321.450 3.556 20 0 DHADHM C[C@H](Sc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820556188 606626534 /nfs/dbraw/zinc/62/65/34/606626534.db2.gz SRRWKXJDDDLTFB-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820556188 606626536 /nfs/dbraw/zinc/62/65/36/606626536.db2.gz SRRWKXJDDDLTFB-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM Cc1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000822444365 606630655 /nfs/dbraw/zinc/63/06/55/606630655.db2.gz NVJLMGCRKUIJAV-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000822444365 606630656 /nfs/dbraw/zinc/63/06/56/606630656.db2.gz NVJLMGCRKUIJAV-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1ccc(Cl)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822240015 606777328 /nfs/dbraw/zinc/77/73/28/606777328.db2.gz OMUOSIWQLMMAEP-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822240015 606777330 /nfs/dbraw/zinc/77/73/30/606777330.db2.gz OMUOSIWQLMMAEP-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822239906 606777390 /nfs/dbraw/zinc/77/73/90/606777390.db2.gz JXCPBCGUESPPEE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822239906 606777392 /nfs/dbraw/zinc/77/73/92/606777392.db2.gz JXCPBCGUESPPEE-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1c(Cl)cccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822034580 606926225 /nfs/dbraw/zinc/92/62/25/606926225.db2.gz HWHSAVMEWIFBJS-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1c(Cl)cccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822034580 606926226 /nfs/dbraw/zinc/92/62/26/606926226.db2.gz HWHSAVMEWIFBJS-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(C)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194114 606927419 /nfs/dbraw/zinc/92/74/19/606927419.db2.gz JHMSFLUWEDBEDN-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cc(C)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194114 606927420 /nfs/dbraw/zinc/92/74/20/606927420.db2.gz JHMSFLUWEDBEDN-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1ccccc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822366631 607008725 /nfs/dbraw/zinc/00/87/25/607008725.db2.gz QBUSBGHODCKPRB-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccccc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822366631 607008727 /nfs/dbraw/zinc/00/87/27/607008727.db2.gz QBUSBGHODCKPRB-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM FC1(F)CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736888 607131133 /nfs/dbraw/zinc/13/11/33/607131133.db2.gz LQTVSZZTHSAJIA-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736888 607131135 /nfs/dbraw/zinc/13/11/35/607131135.db2.gz LQTVSZZTHSAJIA-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM c1c2ccccc2oc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823802519 607163869 /nfs/dbraw/zinc/16/38/69/607163869.db2.gz RGVLYYBJNHFCIL-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM c1c2ccccc2oc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823802519 607163871 /nfs/dbraw/zinc/16/38/71/607163871.db2.gz RGVLYYBJNHFCIL-UHFFFAOYSA-N -1 3 308.366 3.905 20 0 DHADHM Fc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826374038 607915872 /nfs/dbraw/zinc/91/58/72/607915872.db2.gz IWPKPLWZFYOOIT-YVMONPNESA-N -1 3 317.327 3.724 20 0 DHADHM Fc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826374038 607915873 /nfs/dbraw/zinc/91/58/73/607915873.db2.gz IWPKPLWZFYOOIT-YVMONPNESA-N -1 3 317.327 3.724 20 0 DHADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825097735 608071561 /nfs/dbraw/zinc/07/15/61/608071561.db2.gz YNEXGNSSORVYJU-SECBINFHSA-N -1 3 321.812 3.531 20 0 DHADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825097735 608071562 /nfs/dbraw/zinc/07/15/62/608071562.db2.gz YNEXGNSSORVYJU-SECBINFHSA-N -1 3 321.812 3.531 20 0 DHADHM CCC[C@@H](C(=O)Nc1sc(CC)cc1-c1nnn[n-]1)C(C)C ZINC000825225113 608153763 /nfs/dbraw/zinc/15/37/63/608153763.db2.gz LWUKQHXSMIIHQO-LLVKDONJSA-N -1 3 321.450 3.501 20 0 DHADHM CCC[C@@H](C(=O)Nc1sc(CC)cc1-c1nn[n-]n1)C(C)C ZINC000825225113 608153764 /nfs/dbraw/zinc/15/37/64/608153764.db2.gz LWUKQHXSMIIHQO-LLVKDONJSA-N -1 3 321.450 3.501 20 0 DHADHM c1cc(-c2ccccc2)oc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826518890 608873163 /nfs/dbraw/zinc/87/31/63/608873163.db2.gz BOXPIKFLGMVXFO-UHFFFAOYSA-N -1 3 317.352 3.739 20 0 DHADHM c1cc(-c2ccccc2)oc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826518890 608873165 /nfs/dbraw/zinc/87/31/65/608873165.db2.gz BOXPIKFLGMVXFO-UHFFFAOYSA-N -1 3 317.352 3.739 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000825642903 609160045 /nfs/dbraw/zinc/16/00/45/609160045.db2.gz DZDIWTQSOCWDFE-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000825642903 609160046 /nfs/dbraw/zinc/16/00/46/609160046.db2.gz DZDIWTQSOCWDFE-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CC(C)Oc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824328837 609164148 /nfs/dbraw/zinc/16/41/48/609164148.db2.gz BRHOEIBGQSVZRL-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824328837 609164150 /nfs/dbraw/zinc/16/41/50/609164150.db2.gz BRHOEIBGQSVZRL-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM CCCOc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825341797 609172774 /nfs/dbraw/zinc/17/27/74/609172774.db2.gz KHOSQNUYTORDHH-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825341797 609172776 /nfs/dbraw/zinc/17/27/76/609172776.db2.gz KHOSQNUYTORDHH-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCOc1cc(C)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825615740 609275848 /nfs/dbraw/zinc/27/58/48/609275848.db2.gz ITZCRVPKNSCYHV-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(C)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825615740 609275849 /nfs/dbraw/zinc/27/58/49/609275849.db2.gz ITZCRVPKNSCYHV-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000824753545 609310658 /nfs/dbraw/zinc/31/06/58/609310658.db2.gz DWRNEWZOVRAHCY-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000824753545 609310660 /nfs/dbraw/zinc/31/06/60/609310660.db2.gz DWRNEWZOVRAHCY-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826291420 609346930 /nfs/dbraw/zinc/34/69/30/609346930.db2.gz FIUCCBBOPWBOMM-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826291420 609346932 /nfs/dbraw/zinc/34/69/32/609346932.db2.gz FIUCCBBOPWBOMM-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657902 609347211 /nfs/dbraw/zinc/34/72/11/609347211.db2.gz SJAMTWAGJGMPAV-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657902 609347213 /nfs/dbraw/zinc/34/72/13/609347213.db2.gz SJAMTWAGJGMPAV-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM O=C([O-])C1(NCc2c(Cl)cncc2Cl)CCCCCC1 ZINC001601719728 971043928 /nfs/dbraw/zinc/04/39/28/971043928.db2.gz AEXCZLSIEGVREH-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)[N-]OC2CCCCC2)cc1C ZINC000777965340 1032058711 /nfs/dbraw/zinc/05/87/11/1032058711.db2.gz SJPDBCVZYNJLQW-UHFFFAOYSA-N -1 3 303.402 3.647 20 0 DHADHM c1ccc2cc(NCc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000823771672 946479312 /nfs/dbraw/zinc/47/93/12/946479312.db2.gz BVFLKRHEWYCUIL-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM c1ccc2cc(NCc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000823771672 946479319 /nfs/dbraw/zinc/47/93/19/946479319.db2.gz BVFLKRHEWYCUIL-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]OC1CCCCC1 ZINC000777964815 1032059330 /nfs/dbraw/zinc/05/93/30/1032059330.db2.gz MYKPNBZERBBCPD-UHFFFAOYSA-N -1 3 306.793 3.744 20 0 DHADHM O=C([O-])c1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC001595242202 949476949 /nfs/dbraw/zinc/47/69/49/949476949.db2.gz PPIYCTVESJZION-GFCCVEGCSA-N -1 3 301.308 3.549 20 0 DHADHM C[C@@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001576166483 949579942 /nfs/dbraw/zinc/57/99/42/949579942.db2.gz MKMXPDXDLDSNNX-DGCLKSJQSA-N -1 3 314.437 3.550 20 0 DHADHM C[C@@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001576166483 949579960 /nfs/dbraw/zinc/57/99/60/949579960.db2.gz MKMXPDXDLDSNNX-DGCLKSJQSA-N -1 3 314.437 3.550 20 0 DHADHM CC(C)CCC1CCN(c2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001574184836 950786970 /nfs/dbraw/zinc/78/69/70/950786970.db2.gz OPELULAHCJWPPQ-UHFFFAOYSA-N -1 3 317.412 3.658 20 0 DHADHM CC(C)CCC1CCN(c2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001574184836 950786992 /nfs/dbraw/zinc/78/69/92/950786992.db2.gz OPELULAHCJWPPQ-UHFFFAOYSA-N -1 3 317.412 3.658 20 0 DHADHM O=C([O-])[C@H]1CN(CCCCc2ccccc2)Cc2ccccc21 ZINC000322459652 951030436 /nfs/dbraw/zinc/03/04/36/951030436.db2.gz IOQQSORCWGPLJD-IBGZPJMESA-N -1 3 309.409 3.693 20 0 DHADHM O=C([O-])CCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001595055515 951489932 /nfs/dbraw/zinc/48/99/32/951489932.db2.gz MWLGTYJSFVUTDV-CYBMUJFWSA-N -1 3 301.308 3.707 20 0 DHADHM C[C@H]1CCN(CCc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC001589355330 954129712 /nfs/dbraw/zinc/12/97/12/954129712.db2.gz PJWJZRSYXSBQAY-JQWIXIFHSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@@H]1CN(CCc2c(Cl)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589400419 954420486 /nfs/dbraw/zinc/42/04/86/954420486.db2.gz PZAKIQIRGSIPJN-MNOVXSKESA-N -1 3 316.228 3.579 20 0 DHADHM Cc1ncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000682186503 954601177 /nfs/dbraw/zinc/60/11/77/954601177.db2.gz GQLDVXSKAPMACP-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM CC1(C(=O)[O-])CCN(CCc2cccc(Cl)c2Cl)CC1 ZINC001589196961 956621064 /nfs/dbraw/zinc/62/10/64/956621064.db2.gz PERAEEBVVDEOHI-UHFFFAOYSA-N -1 3 316.228 3.723 20 0 DHADHM Cc1ccc([C@H](NCCC2(C(=O)[O-])CCC2)c2ccccn2)cc1 ZINC001594351462 958361198 /nfs/dbraw/zinc/36/11/98/958361198.db2.gz IVTCHJBJSOCMTC-SFHVURJKSA-N -1 3 324.424 3.714 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2c(F)cccc2F)C2CC2)c1 ZINC000361726287 1032068959 /nfs/dbraw/zinc/06/89/59/1032068959.db2.gz JGMLSUGIFBMWBA-UHFFFAOYSA-N -1 3 307.315 3.974 20 0 DHADHM CC(C)[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226720077 959895891 /nfs/dbraw/zinc/89/58/91/959895891.db2.gz MPXBWWRCPNBJHD-JTQLQIEISA-N -1 3 314.223 3.624 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC000340033664 1013212283 /nfs/dbraw/zinc/21/22/83/1013212283.db2.gz LPAYIFDWNAOCCE-LLVKDONJSA-N -1 3 319.763 3.814 20 0 DHADHM CCCC[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000262692440 961809006 /nfs/dbraw/zinc/80/90/06/961809006.db2.gz GQXAZELSIYPPRL-GFCCVEGCSA-N -1 3 310.444 3.605 20 0 DHADHM CCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000263395071 962555988 /nfs/dbraw/zinc/55/59/88/962555988.db2.gz GIMBMARGFXXEEX-UHFFFAOYSA-N -1 3 313.397 3.772 20 0 DHADHM O=C([O-])c1cccc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000263439206 962618208 /nfs/dbraw/zinc/61/82/08/962618208.db2.gz VSSDLLZBCFEBTP-KRWDZBQOSA-N -1 3 317.335 3.830 20 0 DHADHM Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263442986 962623700 /nfs/dbraw/zinc/62/37/00/962623700.db2.gz XBXYEKZMKJNVHO-LJQANCHMSA-N -1 3 313.372 3.764 20 0 DHADHM CC(C)Cc1coc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000894440139 1013365313 /nfs/dbraw/zinc/36/53/13/1013365313.db2.gz VHUIYIHSYYTGCX-UHFFFAOYSA-N -1 3 319.308 3.601 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 ZINC000028817546 1013403592 /nfs/dbraw/zinc/40/35/92/1013403592.db2.gz WAYXGHFEWXYPQW-UHFFFAOYSA-N -1 3 311.168 3.842 20 0 DHADHM C[C@@H](CCN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000315264771 963871277 /nfs/dbraw/zinc/87/12/77/963871277.db2.gz CTFYCPGAXGXCIS-RYUDHWBXSA-N -1 3 304.415 3.686 20 0 DHADHM COC(=O)c1nc(Cl)ccc1Nc1cccc(Cl)c1[O-] ZINC001210220026 1013707949 /nfs/dbraw/zinc/70/79/49/1013707949.db2.gz JTXABXIRBWTRLJ-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223599 1013711334 /nfs/dbraw/zinc/71/13/34/1013711334.db2.gz UJJNWGODOBRKPI-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CCN1Cc2cc(Nc3cccc(Cl)c3[O-])ccc2C1=O ZINC001210223531 1013713160 /nfs/dbraw/zinc/71/31/60/1013713160.db2.gz YMLKCTALRROHRB-UHFFFAOYSA-N -1 3 302.761 3.765 20 0 DHADHM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000188494350 1013831081 /nfs/dbraw/zinc/83/10/81/1013831081.db2.gz SETATXJUTPTQNJ-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM CC(C)(C)Oc1cccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000627525219 1014067146 /nfs/dbraw/zinc/06/71/46/1014067146.db2.gz QSVMEOZRQTYXSH-UHFFFAOYSA-N -1 3 320.776 3.870 20 0 DHADHM COC(=O)c1c(Cl)nccc1Nc1cccc([O-])c1Cl ZINC001210851792 1014070606 /nfs/dbraw/zinc/07/06/06/1014070606.db2.gz KVENHXVMYTUBPO-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM Cc1cc(Nc2cccc([O-])c2Cl)n(CC(F)(F)F)n1 ZINC001210853861 1014071905 /nfs/dbraw/zinc/07/19/05/1014071905.db2.gz NCQAFJBDNMVDBK-UHFFFAOYSA-N -1 3 305.687 3.856 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)c([O-])c1 ZINC000622747590 1014100598 /nfs/dbraw/zinc/10/05/98/1014100598.db2.gz IXHCTLRIHWLQOD-ZDUSSCGKSA-N -1 3 301.361 3.509 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000401539576 973370519 /nfs/dbraw/zinc/37/05/19/973370519.db2.gz ZXOFVHBRDRYPHG-RKVPGOIHSA-N -1 3 301.430 3.887 20 0 DHADHM Cc1nc(C(C)C)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605397952 973378624 /nfs/dbraw/zinc/37/86/24/973378624.db2.gz ZDMBYRMNRBFNFD-QGZVFWFLSA-N -1 3 316.376 3.568 20 0 DHADHM COc1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)c1 ZINC000520416878 974339337 /nfs/dbraw/zinc/33/93/37/974339337.db2.gz WZBKVIZBANZGHO-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563281560 974526010 /nfs/dbraw/zinc/52/60/10/974526010.db2.gz CIAIRQRVKDRXTB-MLGOLLRUSA-N -1 3 314.385 3.803 20 0 DHADHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000565111994 974573978 /nfs/dbraw/zinc/57/39/78/974573978.db2.gz OVPZNQMUSJYJNX-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM CSc1ccccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189736472 1014210615 /nfs/dbraw/zinc/21/06/15/1014210615.db2.gz DNMLHZCSECYGLC-UHFFFAOYSA-N -1 3 319.860 3.924 20 0 DHADHM CC(C)(CCNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000644182507 975325373 /nfs/dbraw/zinc/32/53/73/975325373.db2.gz VAKWLNYPLSWFKB-UHFFFAOYSA-N -1 3 321.751 3.532 20 0 DHADHM CCOc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000255668540 1014267413 /nfs/dbraw/zinc/26/74/13/1014267413.db2.gz ACVJXQAJZLIVBN-FLIBITNWSA-N -1 3 301.317 3.582 20 0 DHADHM CC(C)Oc1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001591796121 976005580 /nfs/dbraw/zinc/00/55/80/976005580.db2.gz AFQODXVVBGFMJY-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM CC(C)c1[nH]c(CN(C)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC001591910574 976321164 /nfs/dbraw/zinc/32/11/64/976321164.db2.gz JMXCUUHPOXAGRX-QGZVFWFLSA-N -1 3 312.413 3.956 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000520516670 1014320354 /nfs/dbraw/zinc/32/03/54/1014320354.db2.gz MOOGGGCZSMSNPQ-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM CC(C)(C)CCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783478298 1014330367 /nfs/dbraw/zinc/33/03/67/1014330367.db2.gz AXYKRZSSCDCLAA-UHFFFAOYSA-N -1 3 318.373 3.702 20 0 DHADHM COc1ccc([O-])c(-c2nc(C(C)(C)c3ccccc3)no2)c1 ZINC000320421621 1014341695 /nfs/dbraw/zinc/34/16/95/1014341695.db2.gz JSIHTGORGMNMNC-UHFFFAOYSA-N -1 3 310.353 3.777 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C1CC2(CCC2)C1 ZINC000580894138 1014428576 /nfs/dbraw/zinc/42/85/76/1014428576.db2.gz GKKHEGFYWUUYGM-UHFFFAOYSA-N -1 3 310.191 3.674 20 0 DHADHM [O-]c1cc(F)c(Nc2cnccc2OC(F)(F)F)cc1F ZINC001215572313 1014481047 /nfs/dbraw/zinc/48/10/47/1014481047.db2.gz CNVBNQUBIZHQLR-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM CCC(CC)(CN[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC001595077141 979350364 /nfs/dbraw/zinc/35/03/64/979350364.db2.gz ADALTJKWQQGZJK-CYBMUJFWSA-N -1 3 316.401 3.883 20 0 DHADHM O=C([O-])CC[C@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000864512095 979940727 /nfs/dbraw/zinc/94/07/27/979940727.db2.gz YRKNMXMRIADGIF-AWEZNQCLSA-N -1 3 322.767 3.570 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000872157397 980040870 /nfs/dbraw/zinc/04/08/70/980040870.db2.gz OMANCYRNWODOII-LBPRGKRZSA-N -1 3 318.442 3.960 20 0 DHADHM CCCC[C@@H](CC)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166278 980062387 /nfs/dbraw/zinc/06/23/87/980062387.db2.gz GKNBZNFHDYKTRZ-CQSZACIVSA-N -1 3 319.445 3.968 20 0 DHADHM CC[C@@](NCc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC001595300386 980434232 /nfs/dbraw/zinc/43/42/32/980434232.db2.gz PNRDQCUZLSGAGZ-KRWDZBQOSA-N -1 3 321.779 3.959 20 0 DHADHM CC[C@](NCc1ccoc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305095 980441909 /nfs/dbraw/zinc/44/19/09/980441909.db2.gz KJWARSZACSNTPM-MRXNPFEDSA-N -1 3 307.777 3.721 20 0 DHADHM C[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000901908334 980621563 /nfs/dbraw/zinc/62/15/63/980621563.db2.gz SYXOCPMQELQZAZ-JGVFFNPUSA-N -1 3 310.341 3.613 20 0 DHADHM C[C@H](NC1CC(c2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC000901910336 980622231 /nfs/dbraw/zinc/62/22/31/980622231.db2.gz HEXDVEKBAFDNJT-FJJSSXBZSA-N -1 3 320.389 3.577 20 0 DHADHM CC[C@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901911451 980623922 /nfs/dbraw/zinc/62/39/22/980623922.db2.gz LBLLYZTTWMNXMD-VXGBXAGGSA-N -1 3 304.415 3.686 20 0 DHADHM CC[C@@H](Cc1cccs1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912759 980625003 /nfs/dbraw/zinc/62/50/03/980625003.db2.gz RYDICCJPNBAVAD-UWVGGRQHSA-N -1 3 310.444 3.575 20 0 DHADHM COc1ccc([C@@H](NCc2csc(C(=O)[O-])c2)C2CC2)cc1 ZINC000902131107 980750280 /nfs/dbraw/zinc/75/02/80/980750280.db2.gz TUBBPCRKVAGWTM-INIZCTEOSA-N -1 3 317.410 3.696 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000128677280 1014686989 /nfs/dbraw/zinc/68/69/89/1014686989.db2.gz OGDNYXVQOYLASR-ONGXEEELSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000902378879 980862108 /nfs/dbraw/zinc/86/21/08/980862108.db2.gz BVEHQFBDSWNVFM-KRWDZBQOSA-N -1 3 317.360 3.975 20 0 DHADHM C[C@@H](c1ccccc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923943 981040763 /nfs/dbraw/zinc/04/07/63/981040763.db2.gz FAVWLQXPWRXHMI-QWRGUYRKSA-N -1 3 320.389 3.531 20 0 DHADHM C[C@H]1CCC[C@@H](CCN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC000903958862 981076389 /nfs/dbraw/zinc/07/63/89/981076389.db2.gz PPXJCAUKWGJGRR-GJZGRUSLSA-N -1 3 317.429 3.796 20 0 DHADHM Cc1ccc(C)c(C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)c1 ZINC000903962258 981077598 /nfs/dbraw/zinc/07/75/98/981077598.db2.gz MXJRQOVCFMELMA-UHFFFAOYSA-N -1 3 324.424 3.776 20 0 DHADHM COc1ccc(SCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128752195 1014709102 /nfs/dbraw/zinc/70/91/02/1014709102.db2.gz PJORAWSEVGIJQH-UHFFFAOYSA-N -1 3 321.373 3.661 20 0 DHADHM CCC[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001595601210 981587456 /nfs/dbraw/zinc/58/74/56/981587456.db2.gz XSVQYJOQSXHUPX-HUUCEWRRSA-N -1 3 313.401 3.547 20 0 DHADHM CC[C@H](C)[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC001594876394 982213821 /nfs/dbraw/zinc/21/38/21/982213821.db2.gz LLIKSTPUXWGBSR-ZANVPECISA-N -1 3 304.217 3.925 20 0 DHADHM CCCCN1Cc2cccc(N[C@@H](CC(C)C)C(=O)[O-])c2C1 ZINC001595750720 982429507 /nfs/dbraw/zinc/42/95/07/982429507.db2.gz BHFZMXUBKVIQPN-KRWDZBQOSA-N -1 3 304.434 3.714 20 0 DHADHM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001118320453 982953161 /nfs/dbraw/zinc/95/31/61/982953161.db2.gz XFZBREYUOXJXIS-KBPBESRZSA-N -1 3 313.850 3.539 20 0 DHADHM C[C@H](NC1CC(CC(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC001119539550 982985173 /nfs/dbraw/zinc/98/51/73/982985173.db2.gz TZFLTEGHEWWQGZ-DCBWTQNWSA-N -1 3 316.426 3.714 20 0 DHADHM CCOc1cc(CN[C@@H]2CCCC2(F)F)cc(Cl)c1[O-] ZINC000656625287 1014967086 /nfs/dbraw/zinc/96/70/86/1014967086.db2.gz KWFZKZKEXPUMPJ-GFCCVEGCSA-N -1 3 305.752 3.722 20 0 DHADHM CCN(Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596370988 983865689 /nfs/dbraw/zinc/86/56/89/983865689.db2.gz AEJGJXTUBJRGSR-HNNXBMFYSA-N -1 3 313.397 3.561 20 0 DHADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc([O-])c1F ZINC000129464854 1014999295 /nfs/dbraw/zinc/99/92/95/1014999295.db2.gz WXAMXPSQDVYXNW-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C ZINC000349879187 1015052432 /nfs/dbraw/zinc/05/24/32/1015052432.db2.gz JLXPINYYMCYNHW-NWDGAFQWSA-N -1 3 301.411 3.511 20 0 DHADHM CCOc1cc(CN2CC(CC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000656688752 1015074857 /nfs/dbraw/zinc/07/48/57/1015074857.db2.gz RMYWISWLLJWHCJ-UHFFFAOYSA-N -1 3 323.742 3.829 20 0 DHADHM C[C@H]1CC[C@@](NCc2c(Cl)cncc2Cl)(C(=O)[O-])CC1 ZINC001599908475 984954039 /nfs/dbraw/zinc/95/40/39/984954039.db2.gz BWYREQNCOKRYPA-KMHCFJFGSA-N -1 3 317.216 3.512 20 0 DHADHM C/C(=C\c1ccccc1)CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001589003573 984954420 /nfs/dbraw/zinc/95/44/20/984954420.db2.gz DXTLCTLTMJZHRB-KQPPXVQYSA-N -1 3 317.335 3.784 20 0 DHADHM CCOc1cc(CNc2ccc3c(c2)OCO3)cc(Cl)c1[O-] ZINC000076275285 1015107160 /nfs/dbraw/zinc/10/71/60/1015107160.db2.gz PADMALCVESUXOM-UHFFFAOYSA-N -1 3 321.760 3.785 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1cccc2ccccc21 ZINC000033911114 1015165507 /nfs/dbraw/zinc/16/55/07/1015165507.db2.gz HHBCFDAWJNYXOR-UHFFFAOYSA-N -1 3 319.332 3.919 20 0 DHADHM CCc1[nH]c(CN[C@H]2CCCc3c(F)cccc32)cc1C(=O)[O-] ZINC001597390938 987619291 /nfs/dbraw/zinc/61/92/91/987619291.db2.gz IJMMGTCLLJAAIU-KRWDZBQOSA-N -1 3 316.376 3.582 20 0 DHADHM CSCC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599795707 988094567 /nfs/dbraw/zinc/09/45/67/988094567.db2.gz TWAJLESWJOIDDL-JTQLQIEISA-N -1 3 301.839 3.612 20 0 DHADHM CCc1cnccc1[C@H](C)NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597637203 988622953 /nfs/dbraw/zinc/62/29/53/988622953.db2.gz ZGPHMYRVDDFODR-NSHDSACASA-N -1 3 318.804 3.846 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(SC2CC2)cc1 ZINC000341581828 1015548192 /nfs/dbraw/zinc/54/81/92/1015548192.db2.gz KSWSFNUHXNCWGJ-UHFFFAOYSA-N -1 3 317.385 3.716 20 0 DHADHM COc1cccc([C@H](NCc2cccc(C(C)C)c2)C(=O)[O-])c1 ZINC001599687957 991017874 /nfs/dbraw/zinc/01/78/74/991017874.db2.gz INPFCYLTQZYCGA-SFHVURJKSA-N -1 3 313.397 3.734 20 0 DHADHM CC1(C)CC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000840575202 1015677529 /nfs/dbraw/zinc/67/75/29/1015677529.db2.gz NOFOBKISSCGSNW-SECBINFHSA-N -1 3 311.790 3.797 20 0 DHADHM CN(Cc1cc2cc(F)ccc2o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513306 992588439 /nfs/dbraw/zinc/58/84/39/992588439.db2.gz TVUSCVCADIBESM-UHFFFAOYSA-N -1 3 313.328 3.902 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]1Cc1ccccc1 ZINC000341819258 1015751926 /nfs/dbraw/zinc/75/19/26/1015751926.db2.gz QVBLMMRWBAKRCI-CYBMUJFWSA-N -1 3 301.773 3.503 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(c2ccc(F)cc2F)CCCC1 ZINC000341888298 1015800562 /nfs/dbraw/zinc/80/05/62/1015800562.db2.gz MJZARKHSUDLQPU-UHFFFAOYSA-N -1 3 318.323 3.516 20 0 DHADHM CC(C)(C)Oc1ccc(CNCc2c(F)ccc([O-])c2F)cn1 ZINC000281035133 1015822459 /nfs/dbraw/zinc/82/24/59/1015822459.db2.gz POBQLBPYSYCHSF-UHFFFAOYSA-N -1 3 322.355 3.533 20 0 DHADHM C[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593217821 994276776 /nfs/dbraw/zinc/27/67/76/994276776.db2.gz CEEOKPIUBALYRH-PIGZYNQJSA-N -1 3 314.360 3.647 20 0 DHADHM C[C@@H](NCC(C)(C)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC001593241216 994436204 /nfs/dbraw/zinc/43/62/04/994436204.db2.gz XQUSOVOLFOTKNX-SNVBAGLBSA-N -1 3 322.405 3.609 20 0 DHADHM COc1cccc([C@@H](N[C@H]2CCCc3sccc32)C(=O)[O-])c1 ZINC001599659405 994632497 /nfs/dbraw/zinc/63/24/97/994632497.db2.gz XYCJELHCJBYGHR-GOEBONIOSA-N -1 3 317.410 3.550 20 0 DHADHM COc1cccc([C@H](N[C@H]2CCCc3sccc32)C(=O)[O-])c1 ZINC001599659407 994632597 /nfs/dbraw/zinc/63/25/97/994632597.db2.gz XYCJELHCJBYGHR-HOCLYGCPSA-N -1 3 317.410 3.550 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc2ccccc21 ZINC001593304055 994742228 /nfs/dbraw/zinc/74/22/28/994742228.db2.gz GXRMKBRTUOGWTO-CYBMUJFWSA-N -1 3 306.365 3.784 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC001599499715 997093225 /nfs/dbraw/zinc/09/32/25/997093225.db2.gz AHORBWBQVXMCFQ-AWEZNQCLSA-N -1 3 313.397 3.861 20 0 DHADHM C[C@]1(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1(F)F ZINC001594027692 997580551 /nfs/dbraw/zinc/58/05/51/997580551.db2.gz ZTLDHHIEYZAQFO-CMPLNLGQSA-N -1 3 324.154 3.754 20 0 DHADHM Cc1ccc(-c2nc(CNCC[C@H](C)CC(=O)[O-])cs2)cc1 ZINC000277303522 1016173870 /nfs/dbraw/zinc/17/38/70/1016173870.db2.gz MZZGREMUXXFZQP-ZDUSSCGKSA-N -1 3 318.442 3.709 20 0 DHADHM CCc1nc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cs1 ZINC000277308455 1016177270 /nfs/dbraw/zinc/17/72/70/1016177270.db2.gz BITOHJCBQIUPAH-QMMMGPOBSA-N -1 3 310.806 3.556 20 0 DHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCCC2 ZINC000277320344 1016195206 /nfs/dbraw/zinc/19/52/06/1016195206.db2.gz CAWBDZSBLFRFJV-HUUCEWRRSA-N -1 3 323.820 3.513 20 0 DHADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc(Cl)o1 ZINC000342345964 1016296266 /nfs/dbraw/zinc/29/62/66/1016296266.db2.gz FPRRAQFYKOZAAN-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM CC(C)C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622405128 1016392173 /nfs/dbraw/zinc/39/21/73/1016392173.db2.gz HGBAACGCRJOUPQ-NSHDSACASA-N -1 3 315.335 3.919 20 0 DHADHM Cc1cccc2c1N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000622413386 1016396428 /nfs/dbraw/zinc/39/64/28/1016396428.db2.gz OADANFLQRKUSPR-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM Cc1ccc(C(=O)NCc2cc(C)ccc2OC(F)F)c([O-])c1 ZINC000622426529 1016403334 /nfs/dbraw/zinc/40/33/34/1016403334.db2.gz NIKCYMHVIQLIFY-UHFFFAOYSA-N -1 3 321.323 3.540 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc3ccccc3c2)n1 ZINC000346483257 1016412254 /nfs/dbraw/zinc/41/22/54/1016412254.db2.gz HRZBMOBCZZVMHE-CQSZACIVSA-N -1 3 307.397 3.837 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(F)ccc(F)c2C1 ZINC000342430482 1016422673 /nfs/dbraw/zinc/42/26/73/1016422673.db2.gz LYDYDXBUHQIEAP-UHFFFAOYSA-N -1 3 323.726 3.522 20 0 DHADHM CCc1nc(C)c(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000622524469 1016436438 /nfs/dbraw/zinc/43/64/38/1016436438.db2.gz WERDONSHONHEDZ-UHFFFAOYSA-N -1 3 316.426 3.851 20 0 DHADHM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622542458 1016454497 /nfs/dbraw/zinc/45/44/97/1016454497.db2.gz CKHXFDDHPGIMTA-NSHDSACASA-N -1 3 315.335 3.919 20 0 DHADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281362262 1016487891 /nfs/dbraw/zinc/48/78/91/1016487891.db2.gz APOKDCKEYRKMRB-INIZCTEOSA-N -1 3 311.381 3.519 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)cnc2OC(C)C)c1 ZINC000622649167 1016506472 /nfs/dbraw/zinc/50/64/72/1016506472.db2.gz FDRLSBLGNPUFJO-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM Cc1cc(C)cc(-c2nnc(SCc3ncccc3[O-])o2)c1 ZINC000582279497 1016551770 /nfs/dbraw/zinc/55/17/70/1016551770.db2.gz CIEUSWTXPTWIOU-UHFFFAOYSA-N -1 3 313.382 3.746 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)c1C ZINC000117227329 1016666131 /nfs/dbraw/zinc/66/61/31/1016666131.db2.gz JIVIVIODBKDEKM-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1[O-] ZINC000320460404 1016792699 /nfs/dbraw/zinc/79/26/99/1016792699.db2.gz OUFUDZVGCQMSQF-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM CCOc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176675513 1016816661 /nfs/dbraw/zinc/81/66/61/1016816661.db2.gz VRFFNIQOLJNSCF-VAWYXSNFSA-N -1 3 321.373 3.637 20 0 DHADHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623017806 1016827969 /nfs/dbraw/zinc/82/79/69/1016827969.db2.gz KCTCJMAUSMLUAQ-UWVGGRQHSA-N -1 3 301.308 3.814 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623017805 1016828645 /nfs/dbraw/zinc/82/86/45/1016828645.db2.gz KCTCJMAUSMLUAQ-NXEZZACHSA-N -1 3 301.308 3.814 20 0 DHADHM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000444245483 1016894655 /nfs/dbraw/zinc/89/46/55/1016894655.db2.gz JRTVEXJFXPRZBP-ONGXEEELSA-N -1 3 309.793 3.626 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)CC2)sc1Cl ZINC001211548669 1016913887 /nfs/dbraw/zinc/91/38/87/1016913887.db2.gz CQASOLMKEXQMOL-GXSJLCMTSA-N -1 3 321.895 3.957 20 0 DHADHM Cc1nc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)cs1 ZINC000294778787 1032152066 /nfs/dbraw/zinc/15/20/66/1032152066.db2.gz UHHIIIZEBWFQCS-ZDUSSCGKSA-N -1 3 310.369 3.772 20 0 DHADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1C1CC1 ZINC000444324275 1016997520 /nfs/dbraw/zinc/99/75/20/1016997520.db2.gz DCTINQHLVNQKBU-UHFFFAOYSA-N -1 3 301.317 3.670 20 0 DHADHM O=C([N-]c1ccccc1SC1CCCC1)c1cnsn1 ZINC000048790818 1017015425 /nfs/dbraw/zinc/01/54/25/1017015425.db2.gz UGIBTIXXFSVYQV-UHFFFAOYSA-N -1 3 305.428 3.825 20 0 DHADHM CC(C)(C)OC(=O)CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000785139448 1017056083 /nfs/dbraw/zinc/05/60/83/1017056083.db2.gz FSLXEMYCFGZDCO-UHFFFAOYSA-N -1 3 322.188 3.600 20 0 DHADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1[O-] ZINC000046752031 1032176871 /nfs/dbraw/zinc/17/68/71/1032176871.db2.gz ZBSBXNJRVHTLSO-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185645136 1017071316 /nfs/dbraw/zinc/07/13/16/1017071316.db2.gz KGQHGDFNKMODJO-KRWDZBQOSA-N -1 3 321.779 3.758 20 0 DHADHM O=C(Nc1ccc(O)cc1Cl)c1cc2c(cc1[O-])CCCC2 ZINC001147084649 1032270379 /nfs/dbraw/zinc/27/03/79/1032270379.db2.gz FRRLCXNTNIUPEI-UHFFFAOYSA-N -1 3 317.772 3.882 20 0 DHADHM C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccccn1 ZINC001147180196 1032290579 /nfs/dbraw/zinc/29/05/79/1032290579.db2.gz BARSEELTVPAAOM-NSHDSACASA-N -1 3 312.394 3.535 20 0 DHADHM Cc1cc(F)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000119739289 1032310196 /nfs/dbraw/zinc/31/01/96/1032310196.db2.gz PNMJXWYNJWUSPP-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000629472366 1032325025 /nfs/dbraw/zinc/32/50/25/1032325025.db2.gz XFRGWIGURYJEOG-UHFFFAOYSA-N -1 3 301.308 3.553 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1F ZINC000120523061 1032375191 /nfs/dbraw/zinc/37/51/91/1032375191.db2.gz AEYLEALYVOGIBP-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179636619 1017275842 /nfs/dbraw/zinc/27/58/42/1017275842.db2.gz LSMYNQDNEDJAFI-PIGZYNQJSA-N -1 3 319.788 3.539 20 0 DHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000121362307 1032443689 /nfs/dbraw/zinc/44/36/89/1032443689.db2.gz FENDCCGIUMWPDC-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2ccsc21 ZINC000342721516 1017091211 /nfs/dbraw/zinc/09/12/11/1017091211.db2.gz NEBNLDUSEBVIHB-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM COc1ccc(C(C)(C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000122122330 1032507764 /nfs/dbraw/zinc/50/77/64/1032507764.db2.gz CISQXODHMSJRMS-UHFFFAOYSA-N -1 3 319.788 3.971 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424417901 1012017745 /nfs/dbraw/zinc/01/77/45/1012017745.db2.gz MINIGCRTCLEZNN-RNCFNFMXSA-N -1 3 319.298 3.530 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000616376248 1012077913 /nfs/dbraw/zinc/07/79/13/1012077913.db2.gz XHUCSSHQNCKOEY-ZDUSSCGKSA-N -1 3 305.443 3.766 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCC3CCC3)nc2)n1 ZINC000664396478 1012084776 /nfs/dbraw/zinc/08/47/76/1012084776.db2.gz OUKHIZIQJPXODA-UHFFFAOYSA-N -1 3 312.417 3.799 20 0 DHADHM Cc1ccc(OCCOC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011809362 1032618476 /nfs/dbraw/zinc/61/84/76/1032618476.db2.gz RWMJPXPYOCBTAU-UHFFFAOYSA-N -1 3 314.168 3.866 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCCCC(F)(F)F ZINC000154312548 1012661113 /nfs/dbraw/zinc/66/11/13/1012661113.db2.gz RLZMGGBJXRNIQE-UHFFFAOYSA-N -1 3 303.324 3.790 20 0 DHADHM O=C(NCc1cc(Cl)ccn1)c1cc([O-])c2ccccc2c1 ZINC000339515276 1012892130 /nfs/dbraw/zinc/89/21/30/1012892130.db2.gz KDAZYFNGNSZZIW-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM O=C(Cn1ccc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000339007275 1032685124 /nfs/dbraw/zinc/68/51/24/1032685124.db2.gz MZTIOBFDAXCSQB-UHFFFAOYSA-N -1 3 300.745 3.639 20 0 DHADHM Cc1cccc(C)c1NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000339007192 1032685173 /nfs/dbraw/zinc/68/51/73/1032685173.db2.gz LNZQTIKXEQKDLG-UHFFFAOYSA-N -1 3 304.777 3.713 20 0 DHADHM O=c1nc([C@@H]2CCCS2)[n-]c2sc(C(F)(F)F)cc21 ZINC000416418213 1017226281 /nfs/dbraw/zinc/22/62/81/1017226281.db2.gz ZOLIBVOKTQTCLR-LURJTMIESA-N -1 3 306.334 3.984 20 0 DHADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1Cl ZINC000179458500 1017253836 /nfs/dbraw/zinc/25/38/36/1017253836.db2.gz AABHQDIJSKSXFK-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM O=C(CCSc1ccccn1)Nc1cc(Cl)ccc1[O-] ZINC000179460472 1017255333 /nfs/dbraw/zinc/25/53/33/1017255333.db2.gz NSEQBVUJJQXWPX-UHFFFAOYSA-N -1 3 308.790 3.562 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(F)c(F)c1 ZINC000179638230 1017279156 /nfs/dbraw/zinc/27/91/56/1017279156.db2.gz DVUJXWKLXSZQMV-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM COc1cccc(SCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000179638278 1017279452 /nfs/dbraw/zinc/27/94/52/1017279452.db2.gz FZNSHCRIGZCWHM-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM Cc1cnc(Br)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213373658 1017621588 /nfs/dbraw/zinc/62/15/88/1017621588.db2.gz QQVJLAIMSFKMQN-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2cnccc2SC)s1 ZINC000674259574 1017913555 /nfs/dbraw/zinc/91/35/55/1017913555.db2.gz NFERRWCSPXAZOJ-SECBINFHSA-N -1 3 323.443 3.528 20 0 DHADHM C[C@@H](c1ccco1)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000122509312 1017994051 /nfs/dbraw/zinc/99/40/51/1017994051.db2.gz HGYUSCJOZWIZIS-NSHDSACASA-N -1 3 318.348 3.560 20 0 DHADHM O=C([O-])c1cccc(CCNCc2c(F)cccc2Cl)c1 ZINC000426681463 1018032074 /nfs/dbraw/zinc/03/20/74/1018032074.db2.gz AOOALFKJYLWUGY-UHFFFAOYSA-N -1 3 307.752 3.510 20 0 DHADHM COc1cc(C(C)=O)ccc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000123248407 1018054816 /nfs/dbraw/zinc/05/48/16/1018054816.db2.gz BVTNHWXDLYYVFP-NSHDSACASA-N -1 3 318.398 3.555 20 0 DHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1ccc(Cl)cc1Cl)C2 ZINC000701480465 1018062302 /nfs/dbraw/zinc/06/23/02/1018062302.db2.gz PZLCANJKSNPYEK-IAQYHMDHSA-N -1 3 314.212 3.680 20 0 DHADHM [O-]c1c(F)cc(Nc2cccnc2OC(F)(F)F)cc1F ZINC001213377435 1018064812 /nfs/dbraw/zinc/06/48/12/1018064812.db2.gz OTQVVJMYLXHRMZ-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC000701528312 1018069926 /nfs/dbraw/zinc/06/99/26/1018069926.db2.gz CLXLEEUIXCOIMG-IAQYHMDHSA-N -1 3 314.212 3.680 20 0 DHADHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC000701528308 1018070505 /nfs/dbraw/zinc/07/05/05/1018070505.db2.gz CLXLEEUIXCOIMG-ABAIWWIYSA-N -1 3 314.212 3.680 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001212520720 1018153488 /nfs/dbraw/zinc/15/34/88/1018153488.db2.gz NMLWMVKXVUFBJK-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nc2ccccc2s1 ZINC000928786041 1018165500 /nfs/dbraw/zinc/16/55/00/1018165500.db2.gz NYELYXYPPVWEHD-UHFFFAOYSA-N -1 3 301.371 3.968 20 0 DHADHM COCOc1ccccc1Nc1cccc([O-])c1Br ZINC001211571018 1018211811 /nfs/dbraw/zinc/21/18/11/1018211811.db2.gz YZLPXVCNXBIXBK-UHFFFAOYSA-N -1 3 324.174 3.881 20 0 DHADHM C[C@@H](CC1CCCCC1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000446726004 1018229437 /nfs/dbraw/zinc/22/94/37/1018229437.db2.gz MLLUBIJHLRUIKB-ZDUSSCGKSA-N -1 3 312.413 3.617 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000080102787 1018336764 /nfs/dbraw/zinc/33/67/64/1018336764.db2.gz SJUFVTQGENVCSO-LJQANCHMSA-N -1 3 317.429 3.548 20 0 DHADHM Cc1ccc(-c2cnc(C[S@@](=O)c3ccc([O-])cc3)o2)cc1 ZINC000080140753 1018351847 /nfs/dbraw/zinc/35/18/47/1018351847.db2.gz WHKUCCULBZTQDS-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM CCOc1c(F)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212535296 1018366635 /nfs/dbraw/zinc/36/66/35/1018366635.db2.gz PGFXFUVMCANBMV-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000041332015 1018383930 /nfs/dbraw/zinc/38/39/30/1018383930.db2.gz BGKHNVUHTTWUNK-UHFFFAOYSA-N -1 3 319.361 3.874 20 0 DHADHM Cc1ccc([C@]2(C)CCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000447695096 1018457379 /nfs/dbraw/zinc/45/73/79/1018457379.db2.gz KWZLJLFOCLXDPD-HXUWFJFHSA-N -1 3 309.409 3.813 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3Cl)no2)nc1 ZINC001212557910 1018462537 /nfs/dbraw/zinc/46/25/37/1018462537.db2.gz HLRIQDUNJLUGHA-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM Cc1nc(Br)ccc1Nc1cc([O-])c(F)cc1F ZINC001212565109 1018492086 /nfs/dbraw/zinc/49/20/86/1018492086.db2.gz XBOSDSQZTLKVPC-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM Cc1nc(Br)ccc1Nc1cc(F)c([O-])cc1F ZINC001212565611 1018501930 /nfs/dbraw/zinc/50/19/30/1018501930.db2.gz BHLVHYAKARCBIW-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCCCCC(C)C)c1 ZINC000065633695 1018553607 /nfs/dbraw/zinc/55/36/07/1018553607.db2.gz JSODSORKBUCRCY-UHFFFAOYSA-N -1 3 320.433 3.687 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000536073641 1018565856 /nfs/dbraw/zinc/56/58/56/1018565856.db2.gz UMYYREZTUPLPFU-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM CN(Cc1cccc(F)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349242446 1018666000 /nfs/dbraw/zinc/66/60/00/1018666000.db2.gz NBOARBWKFAPECJ-UHFFFAOYSA-N -1 3 309.340 3.957 20 0 DHADHM O=C([N-]c1nc(C2CC2)no1)c1sccc1-c1ccccc1 ZINC001129195218 1018681127 /nfs/dbraw/zinc/68/11/27/1018681127.db2.gz GYYALKOWXATGFB-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM Cc1ccc(Cl)cc1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151473370 1018862990 /nfs/dbraw/zinc/86/29/90/1018862990.db2.gz NCZIJUMSCVRNJD-UHFFFAOYSA-N -1 3 308.740 3.815 20 0 DHADHM O=C(CCCSc1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000021901750 1018960761 /nfs/dbraw/zinc/96/07/61/1018960761.db2.gz GNLCYKBOTCGXPF-UHFFFAOYSA-N -1 3 322.817 3.952 20 0 DHADHM CC[C@@](C)(NC(=O)c1c(C)cccc1[O-])c1nc(C)cs1 ZINC000625797263 1018965386 /nfs/dbraw/zinc/96/53/86/1018965386.db2.gz NYGIWDPRVHLSTM-MRXNPFEDSA-N -1 3 304.415 3.521 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCCC[C@H]1C ZINC000565106905 1018985368 /nfs/dbraw/zinc/98/53/68/1018985368.db2.gz ZMZPBAAGDYPQFJ-CYBMUJFWSA-N -1 3 315.417 3.519 20 0 DHADHM O=C([N-][C@H]1CCCc2occc21)C(F)(F)c1ccccc1F ZINC000765604220 1018990475 /nfs/dbraw/zinc/99/04/75/1018990475.db2.gz OIHYQKLFFSUDNY-ZDUSSCGKSA-N -1 3 309.287 3.704 20 0 DHADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000007405023 1019028565 /nfs/dbraw/zinc/02/85/65/1019028565.db2.gz LOKLHQPGEZAVJT-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1[O-] ZINC000584234232 1019040128 /nfs/dbraw/zinc/04/01/28/1019040128.db2.gz VJEVZTQVRPMYGX-UHFFFAOYSA-N -1 3 323.392 3.882 20 0 DHADHM Cc1nc(CNC(=O)c2cc([O-])c3ccccc3c2)sc1C ZINC000354924681 1019041842 /nfs/dbraw/zinc/04/18/42/1019041842.db2.gz SALVCBYYXVVJMX-UHFFFAOYSA-N -1 3 312.394 3.549 20 0 DHADHM FC(F)c1nnc([N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000278694460 1019051929 /nfs/dbraw/zinc/05/19/29/1019051929.db2.gz MGYUTZPLPQPRDS-VHSXEESVSA-N -1 3 315.707 3.603 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CCC2)CC1 ZINC000672255221 1019061252 /nfs/dbraw/zinc/06/12/52/1019061252.db2.gz KRSPNPOBTPLCDR-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM Cc1nc(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)sc1C(C)(C)C ZINC000923255032 1019091414 /nfs/dbraw/zinc/09/14/14/1019091414.db2.gz GWVWZAYHSCTNRW-WXHSDQCUSA-N -1 3 324.490 3.823 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccncc1)C1CC1 ZINC000471844646 1019094736 /nfs/dbraw/zinc/09/47/36/1019094736.db2.gz KWAJSJDODDAKOC-UHFFFAOYSA-N -1 3 318.376 3.745 20 0 DHADHM C[C@H]1CCCN(Cc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300269783 1019198660 /nfs/dbraw/zinc/19/86/60/1019198660.db2.gz DWRJDZLSFRYKJJ-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(F)cc(F)c1 ZINC000255589241 1019239201 /nfs/dbraw/zinc/23/92/01/1019239201.db2.gz ILJSLMRMWUXIDI-WAYWQWQTSA-N -1 3 313.300 3.517 20 0 DHADHM Cc1cccc2nc(-c3ccc(OC(F)(F)F)cc3)[n-]c(=O)c12 ZINC000486431847 1019349573 /nfs/dbraw/zinc/34/95/73/1019349573.db2.gz KHDWVRFDSWDQBJ-UHFFFAOYSA-N -1 3 320.270 3.797 20 0 DHADHM C[C@@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCS1 ZINC000472324838 1019372167 /nfs/dbraw/zinc/37/21/67/1019372167.db2.gz WUMSWQTWJWMZBF-KRWDZBQOSA-N -1 3 301.411 3.561 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1Oc1cccnc1 ZINC000674015970 1019383120 /nfs/dbraw/zinc/38/31/20/1019383120.db2.gz ZSCRSFRFDYWIEG-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1nc(Nc2cc(F)cc(F)c2[O-])ccc1Br ZINC001212478164 1019396338 /nfs/dbraw/zinc/39/63/38/1019396338.db2.gz YILHZKUPVVOAOC-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCOC(=O)c1c(C)csc1Nc1cc(F)cc(F)c1[O-] ZINC001212478088 1019396887 /nfs/dbraw/zinc/39/68/87/1019396887.db2.gz UDJUDSOCXGPEPY-UHFFFAOYSA-N -1 3 313.325 3.961 20 0 DHADHM CC1(NC(=O)c2cc([O-])c3ccccc3c2)Cc2ccccc2C1 ZINC000472438676 1019406971 /nfs/dbraw/zinc/40/69/71/1019406971.db2.gz PXZGQZMBCIHCMA-UHFFFAOYSA-N -1 3 317.388 3.833 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c([O-])c1 ZINC000046291354 1019454481 /nfs/dbraw/zinc/45/44/81/1019454481.db2.gz WYHKOJMOWNXSKO-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1cc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cn2c1 ZINC000673035860 1019525438 /nfs/dbraw/zinc/52/54/38/1019525438.db2.gz QXTMCEUSUKONMT-UHFFFAOYSA-N -1 3 300.745 3.859 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(C)n2)c1 ZINC000092759300 1019542709 /nfs/dbraw/zinc/54/27/09/1019542709.db2.gz QDHOWNCGDZGONS-KRWDZBQOSA-N -1 3 310.397 3.635 20 0 DHADHM COc1c(F)ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001212496363 1019544816 /nfs/dbraw/zinc/54/48/16/1019544816.db2.gz HGDNYJASPMPUTH-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM C[C@H]1CC(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000093097045 1019563231 /nfs/dbraw/zinc/56/32/31/1019563231.db2.gz HOYZAOJEKPBWNW-IUCAKERBSA-N -1 3 317.307 3.553 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000096659201 1019618362 /nfs/dbraw/zinc/61/83/62/1019618362.db2.gz JOGAVOPHIUQWRG-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1ccccc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527457369 1019752146 /nfs/dbraw/zinc/75/21/46/1019752146.db2.gz JISFBQOCIULZKV-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)Oc1ccccc1 ZINC000527455576 1019752448 /nfs/dbraw/zinc/75/24/48/1019752448.db2.gz GXUUKAZXLAVEGE-CQSZACIVSA-N -1 3 321.376 3.743 20 0 DHADHM O=C(NCCCOC1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000527453881 1019752621 /nfs/dbraw/zinc/75/26/21/1019752621.db2.gz JTYBOWHCQKDSBY-UHFFFAOYSA-N -1 3 313.397 3.625 20 0 DHADHM CCOc1ccccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527451535 1019752668 /nfs/dbraw/zinc/75/26/68/1019752668.db2.gz UORKEZFNBQPOSM-UHFFFAOYSA-N -1 3 321.376 3.874 20 0 DHADHM COC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000527461058 1019753744 /nfs/dbraw/zinc/75/37/44/1019753744.db2.gz SFVBQCICNHLQKN-SFHVURJKSA-N -1 3 321.376 3.663 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000727672552 1019756154 /nfs/dbraw/zinc/75/61/54/1019756154.db2.gz BHEMCHKCTAFZQI-SECBINFHSA-N -1 3 306.332 3.759 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000727672552 1019756168 /nfs/dbraw/zinc/75/61/68/1019756168.db2.gz BHEMCHKCTAFZQI-SECBINFHSA-N -1 3 306.332 3.759 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000727672555 1019756553 /nfs/dbraw/zinc/75/65/53/1019756553.db2.gz BHEMCHKCTAFZQI-VIFPVBQESA-N -1 3 306.332 3.759 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000727672555 1019756564 /nfs/dbraw/zinc/75/65/64/1019756564.db2.gz BHEMCHKCTAFZQI-VIFPVBQESA-N -1 3 306.332 3.759 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000140014935 1019826355 /nfs/dbraw/zinc/82/63/55/1019826355.db2.gz ZLKOZJCVKAYMJG-UHFFFAOYSA-N -1 3 324.475 3.887 20 0 DHADHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)[N-]c1cnoc1 ZINC001125757200 1019938320 /nfs/dbraw/zinc/93/83/20/1019938320.db2.gz JSBUGDISKGVHJB-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM CCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000067139003 1019973877 /nfs/dbraw/zinc/97/38/77/1019973877.db2.gz ZUGYSVGEIFXNNZ-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM CCCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731767799 1020144450 /nfs/dbraw/zinc/14/44/50/1020144450.db2.gz LAQZUYLQSGVRTE-UHFFFAOYSA-N -1 3 323.190 3.796 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000111210886 1020145356 /nfs/dbraw/zinc/14/53/56/1020145356.db2.gz YXFLCFSGLXNIPA-QWHCGFSZSA-N -1 3 305.736 3.927 20 0 DHADHM CC(C)=C(C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000635712574 1020186216 /nfs/dbraw/zinc/18/62/16/1020186216.db2.gz SKTMGOVCYNXGOW-UHFFFAOYSA-N -1 3 312.207 3.517 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000624490783 1020210095 /nfs/dbraw/zinc/21/00/95/1020210095.db2.gz UKAQVMFWZMUULM-MRXNPFEDSA-N -1 3 313.372 3.687 20 0 DHADHM CC(C)(O)C1CCC(C(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000655110438 1020311883 /nfs/dbraw/zinc/31/18/83/1020311883.db2.gz WPPUDFMMQXCFRM-UHFFFAOYSA-N -1 3 311.809 3.561 20 0 DHADHM CC(C)CSCCCNC(=O)c1cc([O-])ccc1Cl ZINC000290245480 1020315578 /nfs/dbraw/zinc/31/55/78/1020315578.db2.gz ABNDATMYLXAXNK-UHFFFAOYSA-N -1 3 301.839 3.555 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](CC)O1 ZINC000421983068 1020378461 /nfs/dbraw/zinc/37/84/61/1020378461.db2.gz QMFVDDIISCZOBW-HOTGVXAUSA-N -1 3 313.397 3.575 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)C(C)C)nc(=O)c2c1C ZINC000733580993 1020411676 /nfs/dbraw/zinc/41/16/76/1020411676.db2.gz XPFSXPQIVQQFIK-SCZZXKLOSA-N -1 3 322.430 3.910 20 0 DHADHM CC(=O)n1ncc2ccc(Nc3ccc([O-])c(Cl)c3)cc21 ZINC001212421468 1020416729 /nfs/dbraw/zinc/41/67/29/1020416729.db2.gz RJWMQIFVXONOOL-UHFFFAOYSA-N -1 3 301.733 3.799 20 0 DHADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000106910393 1020440518 /nfs/dbraw/zinc/44/05/18/1020440518.db2.gz SYFHTCZGXKDKNX-ZIAGYGMSSA-N -1 3 317.772 3.796 20 0 DHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nccs1 ZINC000765826750 1020453598 /nfs/dbraw/zinc/45/35/98/1020453598.db2.gz LZHVNLLLODIJKF-LLVKDONJSA-N -1 3 314.332 3.642 20 0 DHADHM CC(C)(C)c1nnc([N-]c2ccc(C(F)(F)F)cc2O)o1 ZINC001212629457 1032905319 /nfs/dbraw/zinc/90/53/19/1032905319.db2.gz WUKKJMNNGMJNKE-UHFFFAOYSA-N -1 3 301.268 3.835 20 0 DHADHM CCc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1CC(C)C ZINC000685800821 1020695343 /nfs/dbraw/zinc/69/53/43/1020695343.db2.gz LAHLFRBRJPJPPT-UHFFFAOYSA-N -1 3 321.808 3.713 20 0 DHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000175431382 1021045262 /nfs/dbraw/zinc/04/52/62/1021045262.db2.gz WHVDRISXEJIVTH-ABAIWWIYSA-N -1 3 315.369 3.613 20 0 DHADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(C)s1 ZINC000014714768 1021076006 /nfs/dbraw/zinc/07/60/06/1021076006.db2.gz XFTGFKGJKVRSID-UHFFFAOYSA-N -1 3 319.411 3.708 20 0 DHADHM Cc1ccc(NC(=S)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000737461609 1021103032 /nfs/dbraw/zinc/10/30/32/1021103032.db2.gz PFRYNCUYUYXDGE-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM Cc1ccc([C@H](C)NCc2ncc(Br)cc2[O-])cc1 ZINC000892631915 1021127889 /nfs/dbraw/zinc/12/78/89/1021127889.db2.gz PAKWPXDNHXPFMG-NSHDSACASA-N -1 3 321.218 3.709 20 0 DHADHM CCCCc1ccc(CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162876665 1021144615 /nfs/dbraw/zinc/14/46/15/1021144615.db2.gz ZDDKZHIRBPAOEL-UHFFFAOYSA-N -1 3 303.324 3.572 20 0 DHADHM Cc1ccc(OCCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000128210573 1021202702 /nfs/dbraw/zinc/20/27/02/1021202702.db2.gz ZCIZUQGEVSXUKZ-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1nc(C2CCCC2)no1 ZINC000154327404 1021216413 /nfs/dbraw/zinc/21/64/13/1021216413.db2.gz XVBZAXLXMZWQEG-UHFFFAOYSA-N -1 3 321.421 3.636 20 0 DHADHM CCc1ccc(C(=O)CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128319500 1021218544 /nfs/dbraw/zinc/21/85/44/1021218544.db2.gz FXDIPYGZNFVWOM-UHFFFAOYSA-N -1 3 315.344 3.695 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC001202403083 1021251546 /nfs/dbraw/zinc/25/15/46/1021251546.db2.gz AVGMLOUVZULCCK-UHFFFAOYSA-N -1 3 311.263 3.758 20 0 DHADHM C[C@H](C(=O)[O-])C1(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000649510142 1021322055 /nfs/dbraw/zinc/32/20/55/1021322055.db2.gz SMYFIMXWBDYOBH-MRVPVSSYSA-N -1 3 321.726 3.702 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000337409889 1032975223 /nfs/dbraw/zinc/97/52/23/1032975223.db2.gz VMFKZPKQGJCUGX-QWRGUYRKSA-N -1 3 323.179 3.836 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(-n2cccc2)c(F)c1 ZINC000129342117 1021465665 /nfs/dbraw/zinc/46/56/65/1021465665.db2.gz OCRQNUMQXFVYRO-UHFFFAOYSA-N -1 3 314.291 3.713 20 0 DHADHM COc1ccccc1[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000129552232 1021511031 /nfs/dbraw/zinc/51/10/31/1021511031.db2.gz BNSRHTWTIHLEGY-LLVKDONJSA-N -1 3 303.333 3.672 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000744388348 1021526192 /nfs/dbraw/zinc/52/61/92/1021526192.db2.gz LCXJNSGGJTVYRB-UHFFFAOYSA-N -1 3 320.392 3.893 20 0 DHADHM CC(C)(C)c1nc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cs1 ZINC000659799262 1021534823 /nfs/dbraw/zinc/53/48/23/1021534823.db2.gz DPEVBRFZPPJBEN-SJCJKPOMSA-N -1 3 322.474 3.517 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccccc2F)C(C)C)n1 ZINC000661484062 1021596748 /nfs/dbraw/zinc/59/67/48/1021596748.db2.gz JNQHXMLPRRABLP-LRDDRELGSA-N -1 3 303.381 3.678 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000619135340 1021660579 /nfs/dbraw/zinc/66/05/79/1021660579.db2.gz NOFNTCYXGDLMLC-ZIAGYGMSSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1c(F)cccc1F ZINC000919061934 1021711329 /nfs/dbraw/zinc/71/13/29/1021711329.db2.gz ZAFVLSMZNCOOCL-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1c(F)cccc1F ZINC000919061934 1021711339 /nfs/dbraw/zinc/71/13/39/1021711339.db2.gz ZAFVLSMZNCOOCL-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CC3CCC3)nc(=O)c2c1C ZINC000745573654 1021735486 /nfs/dbraw/zinc/73/54/86/1021735486.db2.gz SZFYKANNAWAKIH-VIFPVBQESA-N -1 3 320.414 3.808 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC3CCC3)nc(=O)c2c1C ZINC000745573653 1021735530 /nfs/dbraw/zinc/73/55/30/1021735530.db2.gz SZFYKANNAWAKIH-SECBINFHSA-N -1 3 320.414 3.808 20 0 DHADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000261980933 1021864289 /nfs/dbraw/zinc/86/42/89/1021864289.db2.gz RJHUUEGNGOALQJ-LBPRGKRZSA-N -1 3 315.335 3.782 20 0 DHADHM COc1cc(Cl)ccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556892620 1021932850 /nfs/dbraw/zinc/93/28/50/1021932850.db2.gz NSHNSLZFRRJWFD-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)s2)c1[O-] ZINC000556893465 1021934725 /nfs/dbraw/zinc/93/47/25/1021934725.db2.gz VHNVRLCHHCZBQV-UHFFFAOYSA-N -1 3 323.801 3.881 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1[O-] ZINC000556931024 1021953133 /nfs/dbraw/zinc/95/31/33/1021953133.db2.gz NDXMCJJPFMYZEC-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000620048084 1022029467 /nfs/dbraw/zinc/02/94/67/1022029467.db2.gz VGEASKKPEYLKHC-NXEZZACHSA-N -1 3 307.868 3.506 20 0 DHADHM O=C([N-][C@H]1CCCc2occc21)C(F)(F)c1ccc(F)cc1 ZINC000920853632 1022183910 /nfs/dbraw/zinc/18/39/10/1022183910.db2.gz QRSYBHINNIRNGH-ZDUSSCGKSA-N -1 3 309.287 3.704 20 0 DHADHM S=c1ccc(NCc2ccccc2OCc2ccccc2)n[n-]1 ZINC001168938756 1022189206 /nfs/dbraw/zinc/18/92/06/1022189206.db2.gz AIGKKJAMGKHVKE-UHFFFAOYSA-N -1 3 323.421 3.956 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000339117045 1022192085 /nfs/dbraw/zinc/19/20/85/1022192085.db2.gz YQRPAWIPCSPXNX-UQCOIBPSSA-N -1 3 312.760 3.500 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000620631767 1022209866 /nfs/dbraw/zinc/20/98/66/1022209866.db2.gz ONUNIBORSRCYDD-UHFFFAOYSA-N -1 3 305.443 3.766 20 0 DHADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153636712 1022232598 /nfs/dbraw/zinc/23/25/98/1022232598.db2.gz WHBLYVFKFOSEKN-UONOGXRCSA-N -1 3 317.772 3.796 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](C2CCCCC2)C1 ZINC000620689185 1022238447 /nfs/dbraw/zinc/23/84/47/1022238447.db2.gz KWTHCTFDCXPIBU-CQSZACIVSA-N -1 3 303.402 3.530 20 0 DHADHM [O-]c1c(CN2CCC[C@@H]3CCC[C@@H]32)cc(Cl)nc1Cl ZINC001237536422 1022260528 /nfs/dbraw/zinc/26/05/28/1022260528.db2.gz CKJBRSMIYULEQL-ONGXEEELSA-N -1 3 301.217 3.859 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN2CCC=Cc3ccccc32)o1 ZINC001169293817 1022331849 /nfs/dbraw/zinc/33/18/49/1022331849.db2.gz YYIXSTFTRUCWIL-UHFFFAOYSA-N -1 3 319.364 3.866 20 0 DHADHM COc1ccc([C@H](C)CSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000853769848 1022337232 /nfs/dbraw/zinc/33/72/32/1022337232.db2.gz JESUCANRHONMMO-LLVKDONJSA-N -1 3 304.415 3.536 20 0 DHADHM C[C@@H]1C[C@@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001169376914 1022375902 /nfs/dbraw/zinc/37/59/02/1022375902.db2.gz VCCSDAVLVYUDDN-QLJPJBMISA-N -1 3 309.348 3.666 20 0 DHADHM C[C@@H]1C[C@@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001169376914 1022375916 /nfs/dbraw/zinc/37/59/16/1022375916.db2.gz VCCSDAVLVYUDDN-QLJPJBMISA-N -1 3 309.348 3.666 20 0 DHADHM Cc1cnn(C2CCOCC2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590271 1022407577 /nfs/dbraw/zinc/40/75/77/1022407577.db2.gz DLABIGUTPJEGQZ-UHFFFAOYSA-N -1 3 307.781 3.646 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(C2CCOCC2)n1 ZINC001212590601 1022430412 /nfs/dbraw/zinc/43/04/12/1022430412.db2.gz UQEXBLWBIRFMFO-UHFFFAOYSA-N -1 3 307.781 3.646 20 0 DHADHM c1sc([N-]c2ncnc3ccncc32)nc1-c1ccccc1 ZINC000337526746 1033051203 /nfs/dbraw/zinc/05/12/03/1033051203.db2.gz RXKPETNTBHFTRJ-UHFFFAOYSA-N -1 3 305.366 3.892 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC000615391216 1022463478 /nfs/dbraw/zinc/46/34/78/1022463478.db2.gz VHQUXGPFEKRIEG-UONOGXRCSA-N -1 3 305.443 3.765 20 0 DHADHM COCCOc1ccc(F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212592421 1022490051 /nfs/dbraw/zinc/49/00/51/1022490051.db2.gz ORXJJQUHWZHYHZ-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM [O-]c1cccnc1CNc1cnc2ccc(C(F)(F)F)cc2c1 ZINC001169731630 1022525229 /nfs/dbraw/zinc/52/52/29/1022525229.db2.gz DBCKEZZDKQUWQZ-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM CC(C)COc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417003298 1022556949 /nfs/dbraw/zinc/55/69/49/1022556949.db2.gz GZFIIOXHUHYITQ-UHFFFAOYSA-N -1 3 313.401 3.707 20 0 DHADHM O=c1cc(CNc2cccc(CC(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC000417013572 1022559674 /nfs/dbraw/zinc/55/96/74/1022559674.db2.gz CSXNMOOOLKWTNJ-UHFFFAOYSA-N -1 3 323.318 3.777 20 0 DHADHM COc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000621173222 1022605140 /nfs/dbraw/zinc/60/51/40/1022605140.db2.gz DXQBBUBCLFNVKF-QGZVFWFLSA-N -1 3 311.381 3.624 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000276399332 1022628519 /nfs/dbraw/zinc/62/85/19/1022628519.db2.gz WFWHJUUXGFWHIE-GFCCVEGCSA-N -1 3 301.308 3.504 20 0 DHADHM O=C([N-]c1nc(C(F)(F)F)co1)c1ocnc1-c1ccccc1 ZINC001129360501 1022667714 /nfs/dbraw/zinc/66/77/14/1022667714.db2.gz DRSDVBRLJWPNSN-UHFFFAOYSA-N -1 3 323.230 3.601 20 0 DHADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000109091614 1022675801 /nfs/dbraw/zinc/67/58/01/1022675801.db2.gz WSCHPFMWFVXRHB-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM O=C(OCCC(Cl)(Cl)Cl)c1cc(-c2ccco2)[n-]n1 ZINC000767474007 1022723085 /nfs/dbraw/zinc/72/30/85/1022723085.db2.gz SHGOKOBLEOKJAV-UHFFFAOYSA-N -1 3 323.563 3.587 20 0 DHADHM O=C(OCCC(Cl)(Cl)Cl)c1cc(-c2ccco2)n[n-]1 ZINC000767474007 1022723096 /nfs/dbraw/zinc/72/30/96/1022723096.db2.gz SHGOKOBLEOKJAV-UHFFFAOYSA-N -1 3 323.563 3.587 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000616507079 1022731127 /nfs/dbraw/zinc/73/11/27/1022731127.db2.gz CIWRBAJNKGBSES-OAHLLOKOSA-N -1 3 305.443 3.909 20 0 DHADHM CC1(C)[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)C1(F)F ZINC000856068999 1022745947 /nfs/dbraw/zinc/74/59/47/1022745947.db2.gz ZNNLVOYAMYIUQK-GFCCVEGCSA-N -1 3 311.353 3.628 20 0 DHADHM CCC[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccccn1 ZINC000584848268 1022807431 /nfs/dbraw/zinc/80/74/31/1022807431.db2.gz MKZHINIBZUQKFZ-NSHDSACASA-N -1 3 304.777 3.963 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(CCC(C)C)s2)o1 ZINC000617093133 1022860594 /nfs/dbraw/zinc/86/05/94/1022860594.db2.gz GTYXVVCPYWDISJ-UHFFFAOYSA-N -1 3 322.434 3.628 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCOc3ccccc3C2)c([O-])c1 ZINC000617227730 1022903315 /nfs/dbraw/zinc/90/33/15/1022903315.db2.gz GNLCTMCQRAGBOK-UHFFFAOYSA-N -1 3 311.381 3.550 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000621938533 1022945825 /nfs/dbraw/zinc/94/58/25/1022945825.db2.gz DZBYHURKWFUFDV-NXEZZACHSA-N -1 3 301.308 3.529 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2cc(F)ccc2o1)c1cccs1 ZINC000671162544 1022990290 /nfs/dbraw/zinc/99/02/90/1022990290.db2.gz KFYHSKPCAHTHBU-CYBMUJFWSA-N -1 3 319.357 3.939 20 0 DHADHM Cc1c(Cl)cccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000857428729 1023004450 /nfs/dbraw/zinc/00/44/50/1023004450.db2.gz BJWFUOCLIQOQQX-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM Cc1c(Cl)cccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000857428729 1023004462 /nfs/dbraw/zinc/00/44/62/1023004462.db2.gz BJWFUOCLIQOQQX-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C1CC1 ZINC000622058460 1023011699 /nfs/dbraw/zinc/01/16/99/1023011699.db2.gz GCFGMEBBUIWRCB-ZDUSSCGKSA-N -1 3 313.319 3.672 20 0 DHADHM COc1cccc(-c2nc(-c3cnc4ccccc4c3)no2)c1[O-] ZINC000326495121 1023016501 /nfs/dbraw/zinc/01/65/01/1023016501.db2.gz GVJHHXLTXNHSQX-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC1(CC(F)F)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622122019 1023036654 /nfs/dbraw/zinc/03/66/54/1023036654.db2.gz VVNLODGRQYZHMG-UHFFFAOYSA-N -1 3 323.261 3.528 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C2CCC2)CC1 ZINC000617770882 1023050364 /nfs/dbraw/zinc/05/03/64/1023050364.db2.gz ZABDEIYKXLGKAO-UHFFFAOYSA-N -1 3 319.420 3.893 20 0 DHADHM C[C@@]1(CCNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1(F)F ZINC000622171906 1023059368 /nfs/dbraw/zinc/05/93/68/1023059368.db2.gz XQSDBGNIXMYLFD-GFCCVEGCSA-N -1 3 323.261 3.576 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cscn2)c([O-])c1 ZINC000617822661 1023066209 /nfs/dbraw/zinc/06/62/09/1023066209.db2.gz RDDUXPOKCPMVIV-LLVKDONJSA-N -1 3 320.414 3.519 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c([O-])c1 ZINC000617905383 1023089560 /nfs/dbraw/zinc/08/95/60/1023089560.db2.gz TUCDOPUSQHBGAQ-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM CCc1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000622375315 1023127828 /nfs/dbraw/zinc/12/78/28/1023127828.db2.gz WATUMCJFLCJTSD-KRWDZBQOSA-N -1 3 312.413 3.785 20 0 DHADHM COc1ccccc1[C@@H](C)SCCC[N-]C(=O)C(F)(F)F ZINC000769470186 1023161782 /nfs/dbraw/zinc/16/17/82/1023161782.db2.gz PLQRMWGPWIQVCV-SNVBAGLBSA-N -1 3 321.364 3.558 20 0 DHADHM COCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000769521646 1023173359 /nfs/dbraw/zinc/17/33/59/1023173359.db2.gz KYXSJXVFTZMTHL-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000769664325 1023192586 /nfs/dbraw/zinc/19/25/86/1023192586.db2.gz OBKPZPVBXWVAOZ-MRXNPFEDSA-N -1 3 314.385 3.789 20 0 DHADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)c1cccc2ccccc21 ZINC000769723342 1023200023 /nfs/dbraw/zinc/20/00/23/1023200023.db2.gz WYNFGRQILUGPFK-UHFFFAOYSA-N -1 3 321.332 3.551 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1 ZINC000769947940 1023243442 /nfs/dbraw/zinc/24/34/42/1023243442.db2.gz MIMKUWINUPYPPU-CYBMUJFWSA-N -1 3 311.381 3.691 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1O ZINC000047383650 1023304169 /nfs/dbraw/zinc/30/41/69/1023304169.db2.gz ZMZYXZCHIDXINP-UHFFFAOYSA-N -1 3 319.426 3.933 20 0 DHADHM O=C([O-])C[C@H](NCc1cc(Cl)cs1)c1cccs1 ZINC000093094210 1023432637 /nfs/dbraw/zinc/43/26/37/1023432637.db2.gz LXBYRVRVGFJBCW-JTQLQIEISA-N -1 3 301.820 3.769 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCSC(C)(C)C2)c1 ZINC001157061239 1023560895 /nfs/dbraw/zinc/56/08/95/1023560895.db2.gz YMGPUIWLVYXFPC-JTQLQIEISA-N -1 3 311.472 3.518 20 0 DHADHM CCCOc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC001211666231 1023560982 /nfs/dbraw/zinc/56/09/82/1023560982.db2.gz YYAXKTNZUJDWPY-UHFFFAOYSA-N -1 3 303.337 3.731 20 0 DHADHM [O-]c1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1Cl ZINC000651900758 1023626604 /nfs/dbraw/zinc/62/66/04/1023626604.db2.gz HZEZMIRZCMVPIK-UHFFFAOYSA-N -1 3 323.717 3.912 20 0 DHADHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031505 1023653088 /nfs/dbraw/zinc/65/30/88/1023653088.db2.gz RMLFXOQJRGRFEC-NSHDSACASA-N -1 3 311.337 3.752 20 0 DHADHM CC(C)(C)Oc1cccc(COC(=O)c2cc3occc3[n-]2)n1 ZINC000786029052 1023653189 /nfs/dbraw/zinc/65/31/89/1023653189.db2.gz CZWSFKACOPOFFY-UHFFFAOYSA-N -1 3 314.341 3.690 20 0 DHADHM CCCc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031127 1023653330 /nfs/dbraw/zinc/65/33/30/1023653330.db2.gz NJJUTGGIPFKQPB-UHFFFAOYSA-N -1 3 311.337 3.753 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc(Cl)c2F)cc1 ZINC000786111649 1023660634 /nfs/dbraw/zinc/66/06/34/1023660634.db2.gz MTXIZKLMPSQHMF-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM COc1c(F)cc(Nc2cc(=O)[n-]n2C2CCCC2)cc1F ZINC001211675053 1023802812 /nfs/dbraw/zinc/80/28/12/1023802812.db2.gz UYZSDVNNWZJDMO-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCCc1ccccc1 ZINC000787843567 1023825302 /nfs/dbraw/zinc/82/53/02/1023825302.db2.gz KGCVZYSISKYKSH-UHFFFAOYSA-N -1 3 302.345 3.640 20 0 DHADHM CC1(C)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652412358 1023852824 /nfs/dbraw/zinc/85/28/24/1023852824.db2.gz ZKLNSDIPNONAKP-GFCCVEGCSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000049525192 1023855784 /nfs/dbraw/zinc/85/57/84/1023855784.db2.gz KKUUJNSRHMYBDP-BXKDBHETSA-N -1 3 322.257 3.850 20 0 DHADHM COc1ccccc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000788260721 1023865576 /nfs/dbraw/zinc/86/55/76/1023865576.db2.gz FVHBBBLOLAAVNS-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM C[C@H](c1cccnc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788294125 1023868822 /nfs/dbraw/zinc/86/88/22/1023868822.db2.gz UCBMBNJHYAZFNK-LLVKDONJSA-N -1 3 312.394 3.835 20 0 DHADHM CCN(CC(F)F)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000184659156 1023963242 /nfs/dbraw/zinc/96/32/42/1023963242.db2.gz IYIWGIFSHRYKGF-UHFFFAOYSA-N -1 3 319.351 3.710 20 0 DHADHM CC(C)(C)OCCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000789085460 1023989889 /nfs/dbraw/zinc/98/98/89/1023989889.db2.gz FLDAYMQCZMHXFB-UHFFFAOYSA-N -1 3 300.782 3.798 20 0 DHADHM Cc1c(Cl)cccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000531135151 1024024844 /nfs/dbraw/zinc/02/48/44/1024024844.db2.gz KTVSAHXLDSMZBC-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM Cc1cc(Cl)cc(Cl)c1CNc1ccc(=S)[n-]n1 ZINC001167795839 1024057404 /nfs/dbraw/zinc/05/74/04/1024057404.db2.gz KXRREPXCUUNFBS-UHFFFAOYSA-N -1 3 300.214 3.993 20 0 DHADHM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000057550141 1024063085 /nfs/dbraw/zinc/06/30/85/1024063085.db2.gz GRGGHNCACCUGHS-LLVKDONJSA-N -1 3 305.761 3.589 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c1[O-] ZINC000538765175 1033181158 /nfs/dbraw/zinc/18/11/58/1033181158.db2.gz CPAMNGQOXYRNAK-CQSZACIVSA-N -1 3 324.424 3.687 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000452755709 1024182392 /nfs/dbraw/zinc/18/23/92/1024182392.db2.gz NNIDDGKKVTYXSZ-IWIIMEHWSA-N -1 3 324.218 3.838 20 0 DHADHM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269106977 1024242480 /nfs/dbraw/zinc/24/24/80/1024242480.db2.gz BKUMWLZOQLSDRG-AWEZNQCLSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1ccccc1C(C)(C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000041698935 1024272392 /nfs/dbraw/zinc/27/23/92/1024272392.db2.gz IFQJYNPTPCREQM-FOWTUZBSSA-N -1 3 320.392 3.659 20 0 DHADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000162936202 1024288344 /nfs/dbraw/zinc/28/83/44/1024288344.db2.gz RWBUSEPBDUPPIG-JTQLQIEISA-N -1 3 323.742 3.909 20 0 DHADHM CCC(=O)c1ccc(OCCCCC(=O)[N-]OCC(C)C)cc1 ZINC000269688166 1024306120 /nfs/dbraw/zinc/30/61/20/1024306120.db2.gz FVQCETCAJJMXIJ-UHFFFAOYSA-N -1 3 321.417 3.532 20 0 DHADHM Cc1cc(=O)[n-]c(CSCC[C@H](C)OCc2ccccc2)n1 ZINC000790559696 1024323891 /nfs/dbraw/zinc/32/38/91/1024323891.db2.gz QHJQDAAMLFROQF-AWEZNQCLSA-N -1 3 318.442 3.719 20 0 DHADHM COc1ccccc1C(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000531773485 1024328783 /nfs/dbraw/zinc/32/87/83/1024328783.db2.gz IGDXFGNXGJOVRB-UHFFFAOYSA-N -1 3 319.788 3.971 20 0 DHADHM Cc1ncsc1CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000791218212 1024455440 /nfs/dbraw/zinc/45/54/40/1024455440.db2.gz MGHLNOYFZFOUOC-UHFFFAOYSA-N -1 3 318.423 3.644 20 0 DHADHM CN(C)c1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000791312134 1024476772 /nfs/dbraw/zinc/47/67/72/1024476772.db2.gz QXWOMVJFQQGFDZ-UHFFFAOYSA-N -1 3 312.394 3.925 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCOc2ccccc21 ZINC000791314668 1024476865 /nfs/dbraw/zinc/47/68/65/1024476865.db2.gz ALLGKZFSQWIKAE-UHFFFAOYSA-N -1 3 311.362 3.646 20 0 DHADHM Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c([O-])c1 ZINC000029088416 1024571502 /nfs/dbraw/zinc/57/15/02/1024571502.db2.gz YXRQNPBSQXHLJV-UHFFFAOYSA-N -1 3 317.414 3.852 20 0 DHADHM Cc1cc([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)ccc1F ZINC000756725887 1024648673 /nfs/dbraw/zinc/64/86/73/1024648673.db2.gz YBXJLTPMCIDSEC-SECBINFHSA-N -1 3 314.332 3.560 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000318773027 1024662150 /nfs/dbraw/zinc/66/21/50/1024662150.db2.gz PIHFRDZTTYOVKW-GFCCVEGCSA-N -1 3 319.298 3.687 20 0 DHADHM O=C(NOCc1ccc(F)cc1)c1cc([O-])c2ccccc2c1 ZINC000792324622 1024664160 /nfs/dbraw/zinc/66/41/60/1024664160.db2.gz ULURIQATXIDHNC-UHFFFAOYSA-N -1 3 311.312 3.546 20 0 DHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1F ZINC000800208566 1024737820 /nfs/dbraw/zinc/73/78/20/1024737820.db2.gz MOGZRBSHJCCIJJ-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1F ZINC000800208566 1024737834 /nfs/dbraw/zinc/73/78/34/1024737834.db2.gz MOGZRBSHJCCIJJ-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1F ZINC000800208566 1024737845 /nfs/dbraw/zinc/73/78/45/1024737845.db2.gz MOGZRBSHJCCIJJ-MRVPVSSYSA-N -1 3 319.723 3.668 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000349915999 1024767784 /nfs/dbraw/zinc/76/77/84/1024767784.db2.gz PLDPRVWYKAWJIO-BLLLJJGKSA-N -1 3 312.413 3.977 20 0 DHADHM COc1ccc2c(c1)C[C@@H](Nc1ccc3c(c1)[N-]C(=S)C3)CC2 ZINC001170417045 1024778314 /nfs/dbraw/zinc/77/83/14/1024778314.db2.gz LMSYTBVFDFHXPR-HNNXBMFYSA-N -1 3 324.449 3.960 20 0 DHADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000021008329 1024815884 /nfs/dbraw/zinc/81/58/84/1024815884.db2.gz VFJDFWIRZWCFNV-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM O=C(NCc1cccc2cccnc21)c1cc([O-])ccc1Cl ZINC000319916753 1024897325 /nfs/dbraw/zinc/89/73/25/1024897325.db2.gz UFABQPRYYXSQGM-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM O=C([O-])[C@H]1CCCCN1Cc1cc(-c2ccccc2)cs1 ZINC000263386618 1024955253 /nfs/dbraw/zinc/95/52/53/1024955253.db2.gz DBVPNOHEYZAXEN-MRXNPFEDSA-N -1 3 301.411 3.854 20 0 DHADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1sccc1Cl ZINC000353148518 1024964304 /nfs/dbraw/zinc/96/43/04/1024964304.db2.gz DTGRDGTZXNSHHE-UHFFFAOYSA-N -1 3 322.752 3.578 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000263535786 1025088575 /nfs/dbraw/zinc/08/85/75/1025088575.db2.gz ZCINILFAHWGGQE-NSHDSACASA-N -1 3 315.866 3.993 20 0 DHADHM COc1cc(NCc2c(F)ccc([O-])c2F)cc2cccnc21 ZINC000353587384 1025143772 /nfs/dbraw/zinc/14/37/72/1025143772.db2.gz YJTWHCRNIGHQEA-UHFFFAOYSA-N -1 3 316.307 3.839 20 0 DHADHM CCc1cccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c1[O-] ZINC001137212290 1025188511 /nfs/dbraw/zinc/18/85/11/1025188511.db2.gz ODGQJRIWLYJCJG-CQSZACIVSA-N -1 3 315.335 3.806 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C2CC2)n1 ZINC000353688458 1025200023 /nfs/dbraw/zinc/20/00/23/1025200023.db2.gz LHQJWRFIHKWZJB-UHFFFAOYSA-N -1 3 314.360 3.765 20 0 DHADHM CCc1ccc(N(CC(C)C)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000794135397 1025226397 /nfs/dbraw/zinc/22/63/97/1025226397.db2.gz UGSHPVLSGAIYCX-UHFFFAOYSA-N -1 3 322.412 3.823 20 0 DHADHM CSCCO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794190566 1025233850 /nfs/dbraw/zinc/23/38/50/1025233850.db2.gz HJDWXJZKQHEHOW-JTQLQIEISA-N -1 3 321.364 3.610 20 0 DHADHM O=C([N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C(F)(F)C(F)F ZINC000794370190 1025253635 /nfs/dbraw/zinc/25/36/35/1025253635.db2.gz NCRWZJDXGPRYIR-CZMCAQCFSA-N -1 3 309.690 3.603 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(CCc2ccccc2)CC1 ZINC000029789188 1025289813 /nfs/dbraw/zinc/28/98/13/1025289813.db2.gz CVNITJWTBHFZJT-UHFFFAOYSA-N -1 3 309.409 3.877 20 0 DHADHM O=C([N-][C@@H]1CCCc2cccnc21)C(F)(F)c1ccc(F)cc1 ZINC000885372998 1025313943 /nfs/dbraw/zinc/31/39/43/1025313943.db2.gz UVMNNMVAJBWHAU-CQSZACIVSA-N -1 3 320.314 3.506 20 0 DHADHM COc1ccc(C(=O)N[C@H](C)c2c(F)cccc2Cl)c([O-])c1 ZINC001137218021 1025315802 /nfs/dbraw/zinc/31/58/02/1025315802.db2.gz OFRBLGMRDHPIAN-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM Cc1occc1-c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000354031095 1025327923 /nfs/dbraw/zinc/32/79/23/1025327923.db2.gz COASGBMGLKZLKA-UHFFFAOYSA-N -1 3 321.695 3.683 20 0 DHADHM CSCc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000354401630 1025421981 /nfs/dbraw/zinc/42/19/81/1025421981.db2.gz UCDLIVCWEWKAMF-UHFFFAOYSA-N -1 3 321.829 3.839 20 0 DHADHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ncccc1[O-] ZINC000048268741 1025673830 /nfs/dbraw/zinc/67/38/30/1025673830.db2.gz BYODELPONKDLJA-SECBINFHSA-N -1 3 308.790 3.560 20 0 DHADHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3conc3C)o2)cc1 ZINC001130575480 1025850266 /nfs/dbraw/zinc/85/02/66/1025850266.db2.gz YOQDXHBPTTVPEQ-UHFFFAOYSA-N -1 3 310.309 3.698 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000614308865 1026073667 /nfs/dbraw/zinc/07/36/67/1026073667.db2.gz PEEQKRCKFLHWRR-UHFFFAOYSA-N -1 3 305.443 3.766 20 0 DHADHM Cc1oc([N-]C(=O)c2snc(Cl)c2Cl)nc1C1CC1 ZINC000887241625 1026140494 /nfs/dbraw/zinc/14/04/94/1026140494.db2.gz ZCFRVKGJJWJHFS-UHFFFAOYSA-N -1 3 318.185 3.876 20 0 DHADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)co1 ZINC000290028963 1026291546 /nfs/dbraw/zinc/29/15/46/1026291546.db2.gz XZMOQBGCIXNRLV-UHFFFAOYSA-N -1 3 301.371 3.629 20 0 DHADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)cs1 ZINC000614434838 1026428346 /nfs/dbraw/zinc/42/83/46/1026428346.db2.gz VGRUBNMWEXSIER-SSDOTTSWSA-N -1 3 317.439 3.954 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c([O-])c1 ZINC000679522963 1026449063 /nfs/dbraw/zinc/44/90/63/1026449063.db2.gz IQYSRRTYNSTLSE-WDEREUQCSA-N -1 3 301.308 3.504 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1OC ZINC000810106613 1026679553 /nfs/dbraw/zinc/67/95/53/1026679553.db2.gz NXLLKIYSLWCVSN-HNNXBMFYSA-N -1 3 319.788 3.935 20 0 DHADHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ccccc2[S-])C1 ZINC001225585702 1026700401 /nfs/dbraw/zinc/70/04/01/1026700401.db2.gz AHYQMOXVDYBMPK-HUUCEWRRSA-N -1 3 314.454 3.975 20 0 DHADHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2ccccc2[S-])C1 ZINC001225585698 1026701064 /nfs/dbraw/zinc/70/10/64/1026701064.db2.gz AHYQMOXVDYBMPK-GJZGRUSLSA-N -1 3 314.454 3.975 20 0 DHADHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2ccccc2[S-])C1 ZINC001225585694 1026701844 /nfs/dbraw/zinc/70/18/44/1026701844.db2.gz AHYQMOXVDYBMPK-CABCVRRESA-N -1 3 314.454 3.975 20 0 DHADHM Fc1cc(Cl)cc(Cl)c1-c1ccccc1-c1nnn[n-]1 ZINC001244535244 1026752127 /nfs/dbraw/zinc/75/21/27/1026752127.db2.gz LMOXWLUZVNDUKL-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM Fc1cc(Cl)cc(Cl)c1-c1ccccc1-c1nn[n-]n1 ZINC001244535244 1026752136 /nfs/dbraw/zinc/75/21/36/1026752136.db2.gz LMOXWLUZVNDUKL-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM Fc1cc(Cl)cc(Cl)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001244536134 1026757492 /nfs/dbraw/zinc/75/74/92/1026757492.db2.gz HWTYLDZZLSWMNH-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM Fc1cc(Cl)cc(Cl)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001244536134 1026757498 /nfs/dbraw/zinc/75/74/98/1026757498.db2.gz HWTYLDZZLSWMNH-UHFFFAOYSA-N -1 3 309.131 3.980 20 0 DHADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)ccc1OC ZINC001244550869 1026772961 /nfs/dbraw/zinc/77/29/61/1026772961.db2.gz OFDIRDJTZRRLFJ-UHFFFAOYSA-N -1 3 306.745 3.816 20 0 DHADHM O=C([N-]OC1CCCC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000810890738 1026888158 /nfs/dbraw/zinc/88/81/58/1026888158.db2.gz NXCKIHIWVMNTHA-UHFFFAOYSA-N -1 3 309.234 3.588 20 0 DHADHM COCC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000811056587 1026921525 /nfs/dbraw/zinc/92/15/25/1026921525.db2.gz DGHANUXPGADPNV-UHFFFAOYSA-N -1 3 313.806 3.856 20 0 DHADHM O=C(OCC[C@@H]1CCCC1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394301 1026991796 /nfs/dbraw/zinc/99/17/96/1026991796.db2.gz AEPIWTFTDGOPCF-QMMMGPOBSA-N -1 3 311.790 3.799 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(O)c(COC(C)C)c2)c([O-])c1 ZINC000811593598 1027036009 /nfs/dbraw/zinc/03/60/09/1027036009.db2.gz FIIUYKIQZFSXEG-UHFFFAOYSA-N -1 3 315.369 3.584 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421889493 1027079278 /nfs/dbraw/zinc/07/92/78/1027079278.db2.gz KGCGHDCITHNDJF-GMTAPVOTSA-N -1 3 324.218 3.838 20 0 DHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc(F)c1 ZINC000362245619 1027111491 /nfs/dbraw/zinc/11/14/91/1027111491.db2.gz SQFPASLPQWFUDN-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc(F)c1 ZINC000362245619 1027111504 /nfs/dbraw/zinc/11/15/04/1027111504.db2.gz SQFPASLPQWFUDN-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000362252604 1027113985 /nfs/dbraw/zinc/11/39/85/1027113985.db2.gz QMEVOTAOYPBHCI-ZYHUDNBSSA-N -1 3 310.357 3.593 20 0 DHADHM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc([O-])ccc1Cl ZINC000571434014 1027128097 /nfs/dbraw/zinc/12/80/97/1027128097.db2.gz GTDPJHQWTQKZKD-LBPRGKRZSA-N -1 3 317.772 3.802 20 0 DHADHM Cc1oc(C(C)(C)C)cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000931796868 1027258782 /nfs/dbraw/zinc/25/87/82/1027258782.db2.gz OJAWSZAYNKJPBZ-UHFFFAOYSA-N -1 3 314.345 3.516 20 0 DHADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812398201 1027269438 /nfs/dbraw/zinc/26/94/38/1027269438.db2.gz NRIBQPJERJIPMN-XCVCLJGOSA-N -1 3 323.820 3.648 20 0 DHADHM CON(Cc1ccccc1Cl)C(=O)c1cccc(C)c1[O-] ZINC000812426703 1027279014 /nfs/dbraw/zinc/27/90/14/1027279014.db2.gz IOXRBILIGZAYSS-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OC/C=C/Cl ZINC000812407576 1027283196 /nfs/dbraw/zinc/28/31/96/1027283196.db2.gz NSXDPJFYQPNCQG-NYYWCZLTSA-N -1 3 305.761 3.680 20 0 DHADHM Cc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c(C(F)(F)F)o1 ZINC000562303041 1027354623 /nfs/dbraw/zinc/35/46/23/1027354623.db2.gz DMTIFHFBAPVLRT-UHFFFAOYSA-N -1 3 317.292 3.588 20 0 DHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OC2CCC2)c(C)c1 ZINC000812790837 1027410675 /nfs/dbraw/zinc/41/06/75/1027410675.db2.gz KDYUNIDJFTXZTK-UHFFFAOYSA-N -1 3 303.402 3.565 20 0 DHADHM O=C([N-]OC1CCC1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000812794312 1027423292 /nfs/dbraw/zinc/42/32/92/1027423292.db2.gz YQMYMALQWZNSKN-MPLXBHQASA-N -1 3 317.351 3.736 20 0 DHADHM Cc1ccc(-c2nnc(SCc3ncccc3[O-])o2)c(C)c1 ZINC000562439486 1027437801 /nfs/dbraw/zinc/43/78/01/1027437801.db2.gz NPLOXDWEUYBOMX-UHFFFAOYSA-N -1 3 313.382 3.746 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc3ccccc32)cc1 ZINC000747834762 1027514046 /nfs/dbraw/zinc/51/40/46/1027514046.db2.gz YPPZBMVAZUJPQE-UHFFFAOYSA-N -1 3 305.377 3.939 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)c(F)c1 ZINC000047247866 1027561841 /nfs/dbraw/zinc/56/18/41/1027561841.db2.gz YXJUKSWQHGOSLS-JTQLQIEISA-N -1 3 311.278 3.934 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)C(C)(F)F ZINC000296227418 1027579414 /nfs/dbraw/zinc/57/94/14/1027579414.db2.gz WSCSJSUUVNWGSY-ZETCQYMHSA-N -1 3 322.149 3.693 20 0 DHADHM COc1cccc(SCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000576435380 1027616027 /nfs/dbraw/zinc/61/60/27/1027616027.db2.gz QOXDLPYXRDBVFZ-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM CCc1cccc(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)c1[O-] ZINC001297105213 1027616998 /nfs/dbraw/zinc/61/69/98/1027616998.db2.gz PXLPWIIYHCLXMU-ZANVPECISA-N -1 3 303.324 3.661 20 0 DHADHM Cc1cc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)no1 ZINC000813378999 1027624125 /nfs/dbraw/zinc/62/41/25/1027624125.db2.gz WAENXBBWRMDCPQ-UHFFFAOYSA-N -1 3 306.190 3.532 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2csc(C(C)(C)C)n2)c1[O-] ZINC000576706148 1027650254 /nfs/dbraw/zinc/65/02/54/1027650254.db2.gz CDGMDCQITOZHRW-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001133907296 1027702482 /nfs/dbraw/zinc/70/24/82/1027702482.db2.gz SIKCLTOGUVVAEL-GFCCVEGCSA-N -1 3 302.378 3.776 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC001170726037 1027876452 /nfs/dbraw/zinc/87/64/52/1027876452.db2.gz UPWJVCRESLSGSB-AWEZNQCLSA-N -1 3 307.401 3.965 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC001170726037 1027876466 /nfs/dbraw/zinc/87/64/66/1027876466.db2.gz UPWJVCRESLSGSB-AWEZNQCLSA-N -1 3 307.401 3.965 20 0 DHADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000563183467 1027923142 /nfs/dbraw/zinc/92/31/42/1027923142.db2.gz SBGUSEVMWLOQIZ-SECBINFHSA-N -1 3 304.316 3.535 20 0 DHADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000563183467 1027923158 /nfs/dbraw/zinc/92/31/58/1027923158.db2.gz SBGUSEVMWLOQIZ-SECBINFHSA-N -1 3 304.316 3.535 20 0 DHADHM Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)c(C)c1 ZINC000448665198 1027963800 /nfs/dbraw/zinc/96/38/00/1027963800.db2.gz LZFVFIKINNYPKU-AWEZNQCLSA-N -1 3 315.388 3.910 20 0 DHADHM CSc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000365699135 1027993283 /nfs/dbraw/zinc/99/32/83/1027993283.db2.gz UFBOCSAASFUIKK-HNNXBMFYSA-N -1 3 303.427 3.519 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000448731639 1028047080 /nfs/dbraw/zinc/04/70/80/1028047080.db2.gz IZQNIGPKROQFCF-MRXNPFEDSA-N -1 3 305.393 3.645 20 0 DHADHM CC(C)N(C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448945963 1028196365 /nfs/dbraw/zinc/19/63/65/1028196365.db2.gz KMSGTCGJQYAFRP-UHFFFAOYSA-N -1 3 316.376 3.557 20 0 DHADHM CC(C)Cn1ncc([N-]c2nc3c(cccc3F)o2)c1C1CC1 ZINC000564061373 1028293117 /nfs/dbraw/zinc/29/31/17/1028293117.db2.gz OJJBMTPQRUOOGL-UHFFFAOYSA-N -1 3 314.364 4.440 20 0 DHADHM O=C(NC1(c2ccccc2)CCC1)c1cc([O-])ccc1Cl ZINC000579058887 1028312220 /nfs/dbraw/zinc/31/22/20/1028312220.db2.gz FRMXAABGCSQDCW-UHFFFAOYSA-N -1 3 301.773 3.855 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@@H](C)CC[C@@H]3CC)nc2)n1 ZINC000368468174 1028359731 /nfs/dbraw/zinc/35/97/31/1028359731.db2.gz UMVCQMOMGDATDL-WFASDCNBSA-N -1 3 312.417 3.574 20 0 DHADHM [O-]c1cccnc1CN1CC=C(c2ccccc2Cl)CC1 ZINC000564556793 1028473244 /nfs/dbraw/zinc/47/32/44/1028473244.db2.gz AYOZYKGYHVGLPF-UHFFFAOYSA-N -1 3 300.789 3.730 20 0 DHADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000369529821 1028496020 /nfs/dbraw/zinc/49/60/20/1028496020.db2.gz YOKATTVDFMMGNO-OAHLLOKOSA-N -1 3 317.364 3.519 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)ncc1Cl ZINC000188841462 1028533837 /nfs/dbraw/zinc/53/38/37/1028533837.db2.gz DNOFFBXEXIUGRE-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC000565112592 1028543260 /nfs/dbraw/zinc/54/32/60/1028543260.db2.gz VMJUGRPBMXBQPH-OTYXRUKQSA-N -1 3 302.201 3.536 20 0 DHADHM O=Cc1c[nH]c2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc12 ZINC001138015249 1028572607 /nfs/dbraw/zinc/57/26/07/1028572607.db2.gz XGLCDMDTTCWKGC-UHFFFAOYSA-N -1 3 314.728 3.592 20 0 DHADHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(F)nc3F)on2)cc1 ZINC000189483808 1028591387 /nfs/dbraw/zinc/59/13/87/1028591387.db2.gz CCUQUMFZIRKLOS-UHFFFAOYSA-N -1 3 315.279 3.576 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000370534901 1028612310 /nfs/dbraw/zinc/61/23/10/1028612310.db2.gz HOLCYONFUUPCRR-LBPRGKRZSA-N -1 3 313.401 3.510 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN(C)CCOc1ccc(C)cc1 ZINC000565897347 1028651061 /nfs/dbraw/zinc/65/10/61/1028651061.db2.gz HAQPXQJROYWAOB-UHFFFAOYSA-N -1 3 319.426 3.574 20 0 DHADHM Cc1ccccc1OCCCN(C)Cc1ccsc1C(=O)[O-] ZINC000566357784 1028708399 /nfs/dbraw/zinc/70/83/99/1028708399.db2.gz MCAWYWAVJUJQND-UHFFFAOYSA-N -1 3 319.426 3.656 20 0 DHADHM COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)cc(Cl)c1[O-] ZINC000077166053 1028784581 /nfs/dbraw/zinc/78/45/81/1028784581.db2.gz WFHOGBOKSZAQAD-HWKANZROSA-N -1 3 318.756 3.964 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2sc(Cl)cc2C1 ZINC000627905707 1028829100 /nfs/dbraw/zinc/82/91/00/1028829100.db2.gz UYRIWYRHUZAWPD-UHFFFAOYSA-N -1 3 307.802 3.614 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000006919696 1028912056 /nfs/dbraw/zinc/91/20/56/1028912056.db2.gz ZNPIOLNOXBDFCY-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM CC(C)[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)N(C)C ZINC000628233166 1028951564 /nfs/dbraw/zinc/95/15/64/1028951564.db2.gz KXFLKQFYOMNHCD-OAHLLOKOSA-N -1 3 320.820 3.724 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1nc(Cl)ccc1Cl ZINC000816768691 1028998155 /nfs/dbraw/zinc/99/81/55/1028998155.db2.gz BWXCZNAJDPMRHK-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM Cc1nc(C(C)C)oc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000816718151 1028997507 /nfs/dbraw/zinc/99/75/07/1028997507.db2.gz FYDUZLGPRLXDDZ-UHFFFAOYSA-N -1 3 324.380 3.895 20 0 DHADHM C[C@@]12CCN(C(=O)c3cc4sccc4c([O-])c3)C[C@@H]1C2(F)F ZINC000816787549 1029005049 /nfs/dbraw/zinc/00/50/49/1029005049.db2.gz YVPXNZNOHQSMGO-DZGCQCFKSA-N -1 3 323.364 3.724 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(C)cc(Cl)cc2C)n1 ZINC000628374771 1029022489 /nfs/dbraw/zinc/02/24/89/1029022489.db2.gz AMMQCQBOAKLTRY-UHFFFAOYSA-N -1 3 319.836 3.786 20 0 DHADHM CCc1cnc([N-]C(=O)c2snc(Cl)c2Cl)s1 ZINC000816938729 1029043990 /nfs/dbraw/zinc/04/39/90/1029043990.db2.gz IUXRJKBJQYJBNM-UHFFFAOYSA-N -1 3 308.215 3.721 20 0 DHADHM CSC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000817059571 1029061821 /nfs/dbraw/zinc/06/18/21/1029061821.db2.gz AEBBDXQTSIKQDU-NSHDSACASA-N -1 3 321.467 3.822 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274659 1029062168 /nfs/dbraw/zinc/06/21/68/1029062168.db2.gz UFRYTTWHLUNCMN-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000449916241 1029082017 /nfs/dbraw/zinc/08/20/17/1029082017.db2.gz WHHOFTQPDWGJOF-HZPDHXFCSA-N -1 3 313.372 3.731 20 0 DHADHM CC1(C)CCc2sc(NC(=O)[N-]OCc3ccccc3)nc21 ZINC000817320289 1029123609 /nfs/dbraw/zinc/12/36/09/1029123609.db2.gz CDFZEGOPYJWBEV-UHFFFAOYSA-N -1 3 317.414 3.620 20 0 DHADHM C[C@H](CC(=O)[N-]OCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817339346 1029134944 /nfs/dbraw/zinc/13/49/44/1029134944.db2.gz FHXZUURCRKXQEE-SNVBAGLBSA-N -1 3 301.308 3.657 20 0 DHADHM O=C(NOCCC1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000817399472 1029147503 /nfs/dbraw/zinc/14/75/03/1029147503.db2.gz MSAIJLTUUVUEFY-UHFFFAOYSA-N -1 3 313.353 3.646 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@@H]1CC=CCC1 ZINC000628889022 1029176164 /nfs/dbraw/zinc/17/61/64/1029176164.db2.gz GJLVOQQRTWFDQD-CQSZACIVSA-N -1 3 305.393 3.717 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@@H](CC(F)(F)F)C1 ZINC000569123550 1029178572 /nfs/dbraw/zinc/17/85/72/1029178572.db2.gz OZYBWDXUCIPKLG-JTQLQIEISA-N -1 3 324.302 3.712 20 0 DHADHM O=C(/C=C/c1ccnc(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000155226502 1029200834 /nfs/dbraw/zinc/20/08/34/1029200834.db2.gz BSBJDLSLZOMYMU-DAFODLJHSA-N -1 3 309.152 3.746 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629363056 1029310123 /nfs/dbraw/zinc/31/01/23/1029310123.db2.gz AXBGVXYCIXFEDG-LBPRGKRZSA-N -1 3 321.323 3.636 20 0 DHADHM CC(C)(C)c1csc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)n1 ZINC000629378956 1029321303 /nfs/dbraw/zinc/32/13/03/1029321303.db2.gz VQODGMCPVIQEMD-AVGNSLFASA-N -1 3 322.474 3.516 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000570179712 1029324381 /nfs/dbraw/zinc/32/43/81/1029324381.db2.gz UIKVKTLGULKHGB-QPJJXVBHSA-N -1 3 310.275 3.602 20 0 DHADHM O=C(CCCc1c(F)cccc1F)[N-]OCc1ccccc1 ZINC001136106290 1029340019 /nfs/dbraw/zinc/34/00/19/1029340019.db2.gz DNNQNUVRSIJEJN-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM [O-]c1ccc(Cl)c(F)c1CNCc1nc(C2CC2)cs1 ZINC000191350849 1029385313 /nfs/dbraw/zinc/38/53/13/1029385313.db2.gz QLMYWFZPHGYFCZ-UHFFFAOYSA-N -1 3 312.797 3.808 20 0 DHADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219317 1029563964 /nfs/dbraw/zinc/56/39/64/1029563964.db2.gz PZDBOECTNZRIGY-GXSJLCMTSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1ccc(-c2cnccn2)cc1NCc1cc([O-])cc(F)c1 ZINC000373483856 1029779208 /nfs/dbraw/zinc/77/92/08/1029779208.db2.gz WFFLIWUIYNHMOC-UHFFFAOYSA-N -1 3 309.344 3.909 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000794849434 1029901563 /nfs/dbraw/zinc/90/15/63/1029901563.db2.gz GOSKTTWIRJIJCL-ZFWWWQNUSA-N -1 3 305.418 3.599 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cnc(CC(C)(C)C)s2)s1 ZINC000930422607 1029970785 /nfs/dbraw/zinc/97/07/85/1029970785.db2.gz JKGPBLMTAPKNEB-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM Cc1cnc([C@@H](C)OC(=O)c2cccc3[n-]c(C(F)F)nc32)o1 ZINC000924080134 1030011803 /nfs/dbraw/zinc/01/18/03/1030011803.db2.gz IWLUHYYPKFKHQI-MRVPVSSYSA-N -1 3 321.283 3.715 20 0 DHADHM CCC(C)(C)C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085319 1030014506 /nfs/dbraw/zinc/01/45/06/1030014506.db2.gz BIDKYGQUTVITJN-UHFFFAOYSA-N -1 3 324.327 3.663 20 0 DHADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc([O-])ccc1Cl ZINC000290414598 1030040871 /nfs/dbraw/zinc/04/08/71/1030040871.db2.gz LQAJGLXYMFCUFB-CYBMUJFWSA-N -1 3 323.820 3.657 20 0 DHADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)n1cnc2ccccc21 ZINC000557183656 1030041971 /nfs/dbraw/zinc/04/19/71/1030041971.db2.gz MBDUURYVWVRJQS-SNVBAGLBSA-N -1 3 315.760 3.595 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Oc2ccccc2)nc1 ZINC000530897208 1030061175 /nfs/dbraw/zinc/06/11/75/1030061175.db2.gz OXEWASQBKKUEKX-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCc1cc(Sc2cc(Cl)nc(=O)[n-]2)c(C)cc1OC ZINC000866034481 1030113887 /nfs/dbraw/zinc/11/38/87/1030113887.db2.gz ZLPGKNHXBBIMSS-UHFFFAOYSA-N -1 3 310.806 3.866 20 0 DHADHM O=C(CCCOc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000533159465 1030162777 /nfs/dbraw/zinc/16/27/77/1030162777.db2.gz CNLKIRPEUOWTDQ-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM Cc1nc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2s1 ZINC000431855459 1030246689 /nfs/dbraw/zinc/24/66/89/1030246689.db2.gz GJXBNVRLXSZUDE-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM O=C1Nc2ccc(Cl)cc2/C1=C\c1c(F)ccc([O-])c1F ZINC000794925776 1030328989 /nfs/dbraw/zinc/32/89/89/1030328989.db2.gz CXEQDDBLSNXTOQ-RMKNXTFCSA-N -1 3 307.683 3.817 20 0 DHADHM CCCCCC[C@H](CC)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824153864 1030485695 /nfs/dbraw/zinc/48/56/95/1030485695.db2.gz ANPFZCXVRXNISA-AWEZNQCLSA-N -1 3 321.465 3.839 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)o1 ZINC000358563492 1030537970 /nfs/dbraw/zinc/53/79/70/1030537970.db2.gz GUAMNJVEGHOLEP-UHFFFAOYSA-N -1 3 321.732 3.629 20 0 DHADHM Cc1ccc(Br)c(Nc2ccc([O-])c(F)c2F)n1 ZINC001211999947 1030566019 /nfs/dbraw/zinc/56/60/19/1030566019.db2.gz DULYTYCLENXZKR-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM C[S@](=O)(=NC(=O)c1cc2ccsc2[n-]1)C1CCCCC1 ZINC000926012531 1030576898 /nfs/dbraw/zinc/57/68/98/1030576898.db2.gz YAVSTKLDRQIFCU-HXUWFJFHSA-N -1 3 310.444 3.800 20 0 DHADHM COC(=O)c1cc(Cl)ccc1Nc1ccc([O-])c(F)c1F ZINC001212009240 1030650609 /nfs/dbraw/zinc/65/06/09/1030650609.db2.gz KQDCWXCNNWJEAO-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CO[C@H]1CCOc2c(Nc3ccc([O-])c(F)c3F)cccc21 ZINC001212014026 1030660642 /nfs/dbraw/zinc/66/06/42/1030660642.db2.gz VZSARYVNXSBWLD-ZDUSSCGKSA-N -1 3 307.296 3.884 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)c3ccccc3C)n[n-]2)o1 ZINC000359001184 1030722012 /nfs/dbraw/zinc/72/20/12/1030722012.db2.gz LHUVQHMUFWSHLX-LBPRGKRZSA-N -1 3 324.384 3.814 20 0 DHADHM CCc1sc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1C ZINC000359022101 1030735247 /nfs/dbraw/zinc/73/52/47/1030735247.db2.gz WOWGHRQIZKDHEQ-UHFFFAOYSA-N -1 3 316.386 3.558 20 0 DHADHM CCc1cccc(C(=O)Nc2ncc(C(C)(C)C)s2)c1[O-] ZINC001137035552 1030807548 /nfs/dbraw/zinc/80/75/48/1030807548.db2.gz XRTJTYQKSJAUQR-UHFFFAOYSA-N -1 3 304.415 3.961 20 0 DHADHM CSc1ccc(CCCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000843860516 1030871251 /nfs/dbraw/zinc/87/12/51/1030871251.db2.gz YUXMIPFFBFWSQH-UHFFFAOYSA-N -1 3 321.364 3.731 20 0 DHADHM CCC(F)(F)C(=O)[N-]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000870014569 1030912659 /nfs/dbraw/zinc/91/26/59/1030912659.db2.gz NHHNGNRAQXQOOV-UHFFFAOYSA-N -1 3 316.735 3.878 20 0 DHADHM O=C(CCc1ccc(Cl)cc1)[N-]OCCCC(F)(F)F ZINC000871210642 1031160971 /nfs/dbraw/zinc/16/09/71/1031160971.db2.gz SWTPQXFUTPRNOC-UHFFFAOYSA-N -1 3 309.715 3.663 20 0 DHADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871212654 1031162019 /nfs/dbraw/zinc/16/20/19/1031162019.db2.gz BYQDLGJIKRSRSI-LBPRGKRZSA-N -1 3 303.324 3.879 20 0 DHADHM O=C(CCSCc1ccccc1)[N-]OCCCC(F)(F)F ZINC000871215647 1031164547 /nfs/dbraw/zinc/16/45/47/1031164547.db2.gz HNZJMQAQEGRCOH-UHFFFAOYSA-N -1 3 321.364 3.700 20 0 DHADHM CCSc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871213957 1031164974 /nfs/dbraw/zinc/16/49/74/1031164974.db2.gz DBOFVRLMBDQNQQ-UHFFFAOYSA-N -1 3 321.364 3.731 20 0 DHADHM Cc1cccc(Cl)c1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214470 1031165477 /nfs/dbraw/zinc/16/54/77/1031165477.db2.gz GULBZJZNLOQTSG-UHFFFAOYSA-N -1 3 309.715 3.581 20 0 DHADHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccccc2)s1 ZINC000263437430 1031195329 /nfs/dbraw/zinc/19/53/29/1031195329.db2.gz VBBBZLUYXOKPCA-HNNXBMFYSA-N -1 3 301.411 3.854 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000871328975 1031198560 /nfs/dbraw/zinc/19/85/60/1031198560.db2.gz NFFFAIUYXODEPB-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM O=C([O-])C1CN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000263525436 1031204800 /nfs/dbraw/zinc/20/48/00/1031204800.db2.gz TVAVECDZTKSPBJ-UHFFFAOYSA-N -1 3 307.802 3.585 20 0 DHADHM CCCC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001144116435 1031254232 /nfs/dbraw/zinc/25/42/32/1031254232.db2.gz YIKSLJCCNGCMJK-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM Cc1nc(-c2ccccc2)oc1CO[N-]C(=O)CC(C)(C)C ZINC000871752961 1031302955 /nfs/dbraw/zinc/30/29/55/1031302955.db2.gz JZXXRWJRBOPFIJ-UHFFFAOYSA-N -1 3 302.374 3.634 20 0 DHADHM CCC(CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000615131302 1031345749 /nfs/dbraw/zinc/34/57/49/1031345749.db2.gz RVWFCFVVXAFAMP-UHFFFAOYSA-N -1 3 310.246 3.769 20 0 DHADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000171013598 1031350961 /nfs/dbraw/zinc/35/09/61/1031350961.db2.gz GMKNXIJPEKITKI-LBPRGKRZSA-N -1 3 323.389 3.642 20 0 DHADHM CCCOc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cn1 ZINC000872035113 1031419590 /nfs/dbraw/zinc/41/95/90/1031419590.db2.gz LLNDOTGHJCWLSB-LBPRGKRZSA-N -1 3 304.365 3.566 20 0 DHADHM COc1ccc2c(c1)[C@@H](NCc1cccc([O-])c1Cl)CCO2 ZINC000293331093 1031430462 /nfs/dbraw/zinc/43/04/62/1031430462.db2.gz RPUUHNFAYCWXQW-AWEZNQCLSA-N -1 3 319.788 3.668 20 0 DHADHM C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc([O-])c1F ZINC000872062943 1031458846 /nfs/dbraw/zinc/45/88/46/1031458846.db2.gz RAJLOSISMUGHMT-PELKAZGASA-N -1 3 309.287 3.594 20 0 DHADHM C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872064237 1031459109 /nfs/dbraw/zinc/45/91/09/1031459109.db2.gz DJWXUNVDTFRWNG-YGRLFVJLSA-N -1 3 305.324 3.845 20 0 DHADHM CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(CC)cc2[O-])C1(C)C ZINC001149203808 1031594979 /nfs/dbraw/zinc/59/49/79/1031594979.db2.gz VSPBKLXFJGAGMB-DLBZAZTESA-N -1 3 319.445 3.668 20 0 DHADHM CCc1nc(C(C)C)ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000293767891 1031612918 /nfs/dbraw/zinc/61/29/18/1031612918.db2.gz SJPOQKYVMRZMJM-UHFFFAOYSA-N -1 3 316.376 3.542 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC001144555167 1031702901 /nfs/dbraw/zinc/70/29/01/1031702901.db2.gz YBVTZUULQQMCEJ-CQSZACIVSA-N -1 3 303.352 3.735 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([O-])c1 ZINC000294018649 1031758438 /nfs/dbraw/zinc/75/84/38/1031758438.db2.gz NKBLDIKNEWKLPT-ZBFHGGJFSA-N -1 3 309.356 3.633 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-c2cccnc2)cc1 ZINC001144631141 1031780154 /nfs/dbraw/zinc/78/01/54/1031780154.db2.gz IUARASQINQKMRB-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001144658152 1031814297 /nfs/dbraw/zinc/81/42/97/1031814297.db2.gz SRPYTVFQXVGMAX-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM [O-]c1cccc(CN2CC[C@H](Cc3nccs3)C2)c1Cl ZINC000898068990 1031939702 /nfs/dbraw/zinc/93/97/02/1031939702.db2.gz SYXGBZYPRSIVEL-LLVKDONJSA-N -1 3 308.834 3.567 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OC[C@H]1CCCCC1(F)F ZINC000842028731 1031958004 /nfs/dbraw/zinc/95/80/04/1031958004.db2.gz UZSZHVDLPVRJKV-OAHLLOKOSA-N -1 3 311.372 3.883 20 0 DHADHM CC(C)COc1ccc(CNCc2ccccc2C(=O)[O-])cc1 ZINC000874043993 1031967045 /nfs/dbraw/zinc/96/70/45/1031967045.db2.gz ZPZCNZSZVWRUFJ-UHFFFAOYSA-N -1 3 313.397 3.709 20 0 DHADHM C[C@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)C[C@]1(F)Cl ZINC000846400413 1031973254 /nfs/dbraw/zinc/97/32/54/1031973254.db2.gz PICLXJKNKKWVAA-DLBZAZTESA-N -1 3 321.779 3.980 20 0 DHADHM CC(C)O[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000846368329 1031976761 /nfs/dbraw/zinc/97/67/61/1031976761.db2.gz XKDVLRPLKKUDIQ-MRXNPFEDSA-N -1 3 313.397 3.575 20 0 DHADHM O=C(c1ccc2c(c1)CCCC2=O)N1CCCc2cccc([O-])c21 ZINC000294479541 1032019065 /nfs/dbraw/zinc/01/90/65/1032019065.db2.gz IJOIIKCZBYOOLK-UHFFFAOYSA-N -1 3 321.376 3.504 20 0 DHADHM [O-]c1ccc(CNc2cc(F)cc(OC(F)F)c2)cc1F ZINC001308910612 1032019469 /nfs/dbraw/zinc/01/94/69/1032019469.db2.gz NREYRQPRLGQKQQ-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1cc([O-])ccc1Cl ZINC000846593101 1032021499 /nfs/dbraw/zinc/02/14/99/1032021499.db2.gz RAITVOPKAZKVRS-MRVPVSSYSA-N -1 3 322.619 3.749 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846580977 1032022723 /nfs/dbraw/zinc/02/27/23/1032022723.db2.gz CFBFSAOAJQUSOZ-KRWDZBQOSA-N -1 3 317.335 3.807 20 0 DHADHM CC(C)(C)c1coc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000898300761 1032025224 /nfs/dbraw/zinc/02/52/24/1032025224.db2.gz DWTNDNZDLGWBPX-UHFFFAOYSA-N -1 3 320.364 3.778 20 0 DHADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OC1CCCCC1 ZINC000777960407 1032045065 /nfs/dbraw/zinc/04/50/65/1032045065.db2.gz GHYFCXVZOSAHQP-KHPPLWFESA-N -1 3 302.399 3.690 20 0 DHADHM C[C@@H](c1cccs1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877970119 1033533295 /nfs/dbraw/zinc/53/32/95/1033533295.db2.gz IPNQXPMXKNWARN-NSHDSACASA-N -1 3 315.398 3.697 20 0 DHADHM COc1ccc(F)c(F)c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001240434163 1033869456 /nfs/dbraw/zinc/86/94/56/1033869456.db2.gz VKIQCRFDRDTFFB-UHFFFAOYSA-N -1 3 322.258 3.738 20 0 DHADHM COc1cc(OC)c(Nc2ccc([O-])c(Cl)c2)c(OC)c1 ZINC001173909896 1033940213 /nfs/dbraw/zinc/94/02/13/1033940213.db2.gz CAFTVADLQSNAQD-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM COC(=O)c1cccc(Nc2cccc([O-])c2Br)c1 ZINC001173964207 1033984806 /nfs/dbraw/zinc/98/48/06/1033984806.db2.gz ABZUZWVIYIYCEU-UHFFFAOYSA-N -1 3 322.158 3.685 20 0 DHADHM COc1ccc(Nc2ncc(Br)cc2[O-])c(C)c1 ZINC001174022764 1034079358 /nfs/dbraw/zinc/07/93/58/1034079358.db2.gz VCOZOIVLFKRECW-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174186860 1034203997 /nfs/dbraw/zinc/20/39/97/1034203997.db2.gz ROQMOSINKVXFQD-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM O=C(Nc1ccccc1)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001174207878 1034220341 /nfs/dbraw/zinc/22/03/41/1034220341.db2.gz VDUACJFCFKKOPQ-UHFFFAOYSA-N -1 3 323.327 3.922 20 0 DHADHM O=c1cc(Nc2cccc(N3CCCCC3)c2)nc(C2CC2)[n-]1 ZINC001174301777 1034260248 /nfs/dbraw/zinc/26/02/48/1034260248.db2.gz JRAULYSYQBAZCB-UHFFFAOYSA-N -1 3 310.401 3.794 20 0 DHADHM O=c1cc(Nc2ccc(C(F)(F)F)nc2)[n-]n1-c1ccccc1 ZINC001174309511 1034278188 /nfs/dbraw/zinc/27/81/88/1034278188.db2.gz HSBBMLCXMXIYBK-UHFFFAOYSA-N -1 3 320.274 3.735 20 0 DHADHM Cc1cc(Cl)c(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000120020247 1034335282 /nfs/dbraw/zinc/33/52/82/1034335282.db2.gz LZWDNVORNGNPGP-LBPRGKRZSA-N -1 3 319.188 3.882 20 0 DHADHM Cc1cc(Cl)c(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000120020247 1034335286 /nfs/dbraw/zinc/33/52/86/1034335286.db2.gz LZWDNVORNGNPGP-LBPRGKRZSA-N -1 3 319.188 3.882 20 0 DHADHM O=C([O-])CCc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000864518058 1034372343 /nfs/dbraw/zinc/37/23/43/1034372343.db2.gz AZAFAGFVPANJMA-UHFFFAOYSA-N -1 3 319.351 3.931 20 0 DHADHM COC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1OC ZINC001174430413 1034379393 /nfs/dbraw/zinc/37/93/93/1034379393.db2.gz XZJOSFUUTGFHJA-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C(F)F)c2)cc1 ZINC000794722019 1034432975 /nfs/dbraw/zinc/43/29/75/1034432975.db2.gz YUMSWTHYSQFEKG-UHFFFAOYSA-N -1 3 305.324 3.723 20 0 DHADHM CC[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000554941280 1034434812 /nfs/dbraw/zinc/43/48/12/1034434812.db2.gz PVGLCQFTSUDXEP-LBPRGKRZSA-N -1 3 303.789 3.969 20 0 DHADHM Cc1csc(CCCC(=O)Nc2c([O-])cccc2Cl)n1 ZINC000554955494 1034435781 /nfs/dbraw/zinc/43/57/81/1034435781.db2.gz XWQJLZWWKMLLNM-UHFFFAOYSA-N -1 3 310.806 3.772 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cc3ccccc3s2)n1 ZINC000184360976 1034467887 /nfs/dbraw/zinc/46/78/87/1034467887.db2.gz VKWOZXSMUDCNJR-NSHDSACASA-N -1 3 313.426 3.810 20 0 DHADHM O=Cc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)s1 ZINC000864970068 1034487530 /nfs/dbraw/zinc/48/75/30/1034487530.db2.gz GUIPOSSTRIAFGY-UHFFFAOYSA-N -1 3 321.427 3.712 20 0 DHADHM Cc1ccc(Nc2cnn([C@@H]3CCCCO3)c2)c(Cl)c1[O-] ZINC001174610758 1034536238 /nfs/dbraw/zinc/53/62/38/1034536238.db2.gz IPHMBDWYOSAGMB-ZDUSSCGKSA-N -1 3 307.781 3.993 20 0 DHADHM O=C(NCCC1=CCCCCC1)c1c[n-]c2ccccc2c1=O ZINC000185726108 1034567160 /nfs/dbraw/zinc/56/71/60/1034567160.db2.gz JIZSJXSUHROBCE-UHFFFAOYSA-N -1 3 310.397 3.539 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(C3CCC3)c2)CC)n1 ZINC000899372961 1034619341 /nfs/dbraw/zinc/61/93/41/1034619341.db2.gz QICJAEMVALCEJC-NTEUORMPSA-N -1 3 312.417 3.595 20 0 DHADHM [O-]c1cccc(Nc2ccc3c(c2)OCO3)c1Br ZINC001174869033 1034654542 /nfs/dbraw/zinc/65/45/42/1034654542.db2.gz OHAZOUYXPFTELL-UHFFFAOYSA-N -1 3 308.131 3.627 20 0 DHADHM CCC(O)(CC)C(C)(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001174869237 1034654617 /nfs/dbraw/zinc/65/46/17/1034654617.db2.gz DQQHCZHZVNQHNW-UHFFFAOYSA-N -1 3 321.442 3.666 20 0 DHADHM Nc1cc(Br)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100371 1034781495 /nfs/dbraw/zinc/78/14/95/1034781495.db2.gz ZDRHCCBMHAVNIV-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM [O-]c1cc(F)c(Nc2cc(Br)ccc2O)c(F)c1 ZINC001175099926 1034781875 /nfs/dbraw/zinc/78/18/75/1034781875.db2.gz HPFCVXFCFXUFBH-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c2ccncc12 ZINC001175103085 1034783781 /nfs/dbraw/zinc/78/37/81/1034783781.db2.gz SWCXXFBVZKCYIV-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)n1 ZINC000192763435 1034817573 /nfs/dbraw/zinc/81/75/73/1034817573.db2.gz AYCWSPMIDKVHIP-UWVGGRQHSA-N -1 3 309.772 3.695 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)n1 ZINC000192763419 1034818205 /nfs/dbraw/zinc/81/82/05/1034818205.db2.gz AYCWSPMIDKVHIP-VHSXEESVSA-N -1 3 309.772 3.695 20 0 DHADHM Cc1cccc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000192971133 1034823980 /nfs/dbraw/zinc/82/39/80/1034823980.db2.gz QJAQZQKQXOKLNM-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM Cc1ccccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000193038931 1034829418 /nfs/dbraw/zinc/82/94/18/1034829418.db2.gz OSHGVBNCQCBFSR-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(CC(C)C)cc1 ZINC001175296777 1034905661 /nfs/dbraw/zinc/90/56/61/1034905661.db2.gz VNTQCLXHFOSOAF-UHFFFAOYSA-N -1 3 318.442 3.577 20 0 DHADHM CC(C)OC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175259754 1034909930 /nfs/dbraw/zinc/90/99/30/1034909930.db2.gz TYEQCHTXYWMPRV-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM CN(CCCF)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000899816183 1034909923 /nfs/dbraw/zinc/90/99/23/1034909923.db2.gz OWEGAIFWELRKNK-UHFFFAOYSA-N -1 3 315.388 3.609 20 0 DHADHM [O-]c1ccc(F)c(Nc2nc(-c3ccncc3)cs2)c1F ZINC001175261846 1034911745 /nfs/dbraw/zinc/91/17/45/1034911745.db2.gz SIWZESJRWKWJCK-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(OCC3CCC3)nc2)c1F ZINC001175263329 1034912708 /nfs/dbraw/zinc/91/27/08/1034912708.db2.gz SKLCYZCXCLYFEL-UHFFFAOYSA-N -1 3 306.312 3.988 20 0 DHADHM [O-]c1ccc(F)c(Nc2nc(F)c(F)c(Cl)c2F)c1F ZINC001175266319 1034914912 /nfs/dbraw/zinc/91/49/12/1034914912.db2.gz UPXQODFUFNDKIH-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc(-c3ccc(O)cc3)nc2)c1F ZINC001175266659 1034914951 /nfs/dbraw/zinc/91/49/51/1034914951.db2.gz VYXWJSVXYUIYED-UHFFFAOYSA-N -1 3 315.279 3.577 20 0 DHADHM CN(C)C(=O)c1cccc(Nc2cc(Cl)ccc2F)c1[O-] ZINC001175301906 1034921552 /nfs/dbraw/zinc/92/15/52/1034921552.db2.gz FDRBKYAHZAALSK-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175427907 1034978005 /nfs/dbraw/zinc/97/80/05/1034978005.db2.gz BJCHAXZGVVOBRK-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM c1ccc(-c2cccnc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175425768 1034978235 /nfs/dbraw/zinc/97/82/35/1034978235.db2.gz VMNSREIGFRVVNR-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM c1csc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175432019 1034980245 /nfs/dbraw/zinc/98/02/45/1034980245.db2.gz PTFRUTPPYIRBCO-UHFFFAOYSA-N -1 3 320.381 3.734 20 0 DHADHM CCc1c(Cl)cc(NC2=CCCN(C)C2)c([O-])c1Cl ZINC001175578267 1035050936 /nfs/dbraw/zinc/05/09/36/1035050936.db2.gz JNBDVVKHGPSBKQ-UHFFFAOYSA-N -1 3 301.217 3.893 20 0 DHADHM COC(=O)c1ncsc1[N-]c1c(F)ccc2ccc(C)nc21 ZINC001176114619 1035206486 /nfs/dbraw/zinc/20/64/86/1035206486.db2.gz BDCWLKMNMSITNE-UHFFFAOYSA-N -1 3 317.345 3.669 20 0 DHADHM Cc1noc(C)c1Nc1cc(Br)cc(F)c1[O-] ZINC001176183804 1035214525 /nfs/dbraw/zinc/21/45/25/1035214525.db2.gz OTEJLPVHFPSJPK-UHFFFAOYSA-N -1 3 301.115 3.642 20 0 DHADHM CN(C)[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])cc3)cccc21 ZINC001176713884 1035326839 /nfs/dbraw/zinc/32/68/39/1035326839.db2.gz VRYOBEMOSHJSGF-INIZCTEOSA-N -1 3 312.369 3.514 20 0 DHADHM Cc1cc(C)c(/C=C\CNCc2ccc(C(=O)[O-])c(C)n2)c(C)c1 ZINC000903997649 1035339582 /nfs/dbraw/zinc/33/95/82/1035339582.db2.gz STGIPYGBEPRKJB-WAYWQWQTSA-N -1 3 324.424 3.816 20 0 DHADHM CCC[C@@H](CCCCNCc1nc2ccccc2o1)C(=O)[O-] ZINC000904019067 1035340540 /nfs/dbraw/zinc/34/05/40/1035340540.db2.gz XOKLYYSFHLYHJD-ZDUSSCGKSA-N -1 3 304.390 3.589 20 0 DHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000904397192 1035411551 /nfs/dbraw/zinc/41/15/51/1035411551.db2.gz BEVNDXRJMZHHSK-MRXNPFEDSA-N -1 3 313.800 3.864 20 0 DHADHM O=C(Cn1c2ccccc2c2ccccc21)Nc1cncc([O-])c1 ZINC001180074943 1035584853 /nfs/dbraw/zinc/58/48/53/1035584853.db2.gz CFVOODGDMQXPBF-UHFFFAOYSA-N -1 3 317.348 3.534 20 0 DHADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000535421132 1035615087 /nfs/dbraw/zinc/61/50/87/1035615087.db2.gz NDXUTTKPMBVZOC-NSHDSACASA-N -1 3 319.788 3.872 20 0 DHADHM CN(C)c1ccccc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193746690 1035727267 /nfs/dbraw/zinc/72/72/67/1035727267.db2.gz XPALCPYFTUWDCE-UHFFFAOYSA-N -1 3 324.302 3.729 20 0 DHADHM CC(C)P(CCNC(=O)c1ccc(F)c([O-])c1F)C(C)C ZINC001193800481 1035740957 /nfs/dbraw/zinc/74/09/57/1035740957.db2.gz LZDZBSLOWJMCEP-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM CCCCN(Cc1ccccc1)C(=O)c1c(C)cc(O)cc1[O-] ZINC001193929624 1035766292 /nfs/dbraw/zinc/76/62/92/1035766292.db2.gz JRGXPHCVEBVVJT-UHFFFAOYSA-N -1 3 313.397 3.849 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC001193952521 1035771177 /nfs/dbraw/zinc/77/11/77/1035771177.db2.gz HYYNFCOHEQHBEW-BETUJISGSA-N -1 3 305.418 3.741 20 0 DHADHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000130299330 1035824703 /nfs/dbraw/zinc/82/47/03/1035824703.db2.gz VOYKKCUFLKPLRI-UHFFFAOYSA-N -1 3 314.341 3.521 20 0 DHADHM COc1ccc(CCCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001181215994 1035872423 /nfs/dbraw/zinc/87/24/23/1035872423.db2.gz CPVXPVABPBRYQN-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CCc1ccc(C(=O)N2CCc3cc(CC)ccc3C2)c([O-])c1 ZINC001181487860 1035932980 /nfs/dbraw/zinc/93/29/80/1035932980.db2.gz RDRCVZIYDBIZDT-UHFFFAOYSA-N -1 3 309.409 3.716 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)(C)C)o1 ZINC000540215083 1036012625 /nfs/dbraw/zinc/01/26/25/1036012625.db2.gz BDCPROZTFFRLLB-MRXNPFEDSA-N -1 3 321.442 3.962 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(N(C)c3ccccc3)nc2)n1 ZINC000486143626 1036143152 /nfs/dbraw/zinc/14/31/52/1036143152.db2.gz CLJSPUSQCKUXMV-CSKARUKUSA-N -1 3 318.380 3.824 20 0 DHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000646564306 1036143131 /nfs/dbraw/zinc/14/31/31/1036143131.db2.gz SSLDCWUSPUTZLM-UHFFFAOYSA-N -1 3 301.308 3.816 20 0 DHADHM CCC1(c2ccccc2)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC001182260543 1036167073 /nfs/dbraw/zinc/16/70/73/1036167073.db2.gz GBWCQTCGZOACHO-UHFFFAOYSA-N -1 3 303.352 3.834 20 0 DHADHM CC(C)Nc1nc(C(=O)Nc2cc([O-])cc(Cl)c2)cs1 ZINC001195682566 1036305028 /nfs/dbraw/zinc/30/50/28/1036305028.db2.gz SMOLLJIFSPDCRU-UHFFFAOYSA-N -1 3 311.794 3.575 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000623582547 1036316364 /nfs/dbraw/zinc/31/63/64/1036316364.db2.gz OOWKLURMGBZDBC-UHFFFAOYSA-N -1 3 324.424 3.573 20 0 DHADHM COC(=O)c1coc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000774461940 1036341913 /nfs/dbraw/zinc/34/19/13/1036341913.db2.gz FCWORQBKLOVCKU-QMMMGPOBSA-N -1 3 319.338 3.527 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1C(C)C ZINC001195795006 1036352465 /nfs/dbraw/zinc/35/24/65/1036352465.db2.gz UJEDJBKCSVAOBM-UHFFFAOYSA-N -1 3 305.399 3.625 20 0 DHADHM Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)ccc1C(C)C ZINC001195795006 1036352486 /nfs/dbraw/zinc/35/24/86/1036352486.db2.gz UJEDJBKCSVAOBM-UHFFFAOYSA-N -1 3 305.399 3.625 20 0 DHADHM Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)cs2)n1 ZINC000754451064 1036371703 /nfs/dbraw/zinc/37/17/03/1036371703.db2.gz PIQOYGLSZDJNCY-UHFFFAOYSA-N -1 3 315.423 3.906 20 0 DHADHM [O-]c1ccc(NC(=S)NCc2cccc(Cl)c2)cc1F ZINC001195975302 1036398344 /nfs/dbraw/zinc/39/83/44/1036398344.db2.gz CJPYHDIPQGYLTM-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC000541891705 1036451079 /nfs/dbraw/zinc/45/10/79/1036451079.db2.gz SJLVOSVLZNIYKO-GFCCVEGCSA-N -1 3 316.364 3.602 20 0 DHADHM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486983463 1036499928 /nfs/dbraw/zinc/49/99/28/1036499928.db2.gz DNVPSBURJPOTRH-JTQLQIEISA-N -1 3 319.323 3.537 20 0 DHADHM [O-]c1cccc(O[C@H]2Cc3cccc(Br)c3C2)c1F ZINC001233870387 1036518879 /nfs/dbraw/zinc/51/88/79/1036518879.db2.gz CDDDCXHHZWUMRG-JTQLQIEISA-N -1 3 323.161 3.840 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683197363 1036521289 /nfs/dbraw/zinc/52/12/89/1036521289.db2.gz KLLWARQNFMYBPH-UHFFFAOYSA-N -1 3 320.217 3.841 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000775739144 1036592924 /nfs/dbraw/zinc/59/29/24/1036592924.db2.gz CYLGDBBVUZURLU-PDGQHHTCSA-N -1 3 318.376 3.677 20 0 DHADHM CCc1ccc(C(=O)N[C@H](CC)CNc2ccccc2)c([O-])c1 ZINC001183507477 1036613546 /nfs/dbraw/zinc/61/35/46/1036613546.db2.gz DCOOFSUUSSFZQR-OAHLLOKOSA-N -1 3 312.413 3.575 20 0 DHADHM C=Cc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196888767 1036632662 /nfs/dbraw/zinc/63/26/62/1036632662.db2.gz XTMJRJHVKQUDGP-UHFFFAOYSA-N -1 3 317.410 3.756 20 0 DHADHM Cc1ccccc1[C@@H](C)SCCC[N-]C(=O)C(F)(F)F ZINC000774680634 1036673238 /nfs/dbraw/zinc/67/32/38/1036673238.db2.gz YAZIIYWOYUXGCT-LLVKDONJSA-N -1 3 305.365 3.858 20 0 DHADHM COc1ccccc1C/C(C)=C\C(=O)Nc1cccc([O-])c1F ZINC000762318117 1036696411 /nfs/dbraw/zinc/69/64/11/1036696411.db2.gz ZSDAECSFKPWOQF-QXMHVHEDSA-N -1 3 315.344 3.667 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C(F)(F)c1c(F)cccc1F ZINC000762320178 1036702797 /nfs/dbraw/zinc/70/27/97/1036702797.db2.gz HMCANAYYVRATRH-UHFFFAOYSA-N -1 3 317.213 3.540 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(Cl)nc1C1CC1 ZINC001197269284 1036721315 /nfs/dbraw/zinc/72/13/15/1036721315.db2.gz CAHGFYZZKLWILB-UHFFFAOYSA-N -1 3 306.724 3.709 20 0 DHADHM [O-]c1cc(NC(=S)NCc2ccc(Cl)cc2)ccc1F ZINC001197581428 1036798669 /nfs/dbraw/zinc/79/86/69/1036798669.db2.gz ZUHHMRMHVXVQMR-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)c([O-])c1 ZINC000762698628 1036911999 /nfs/dbraw/zinc/91/19/99/1036911999.db2.gz ZTRYKVPAFUYFPN-UHFFFAOYSA-N -1 3 315.369 3.700 20 0 DHADHM Cc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001185044811 1037016334 /nfs/dbraw/zinc/01/63/34/1037016334.db2.gz JZIZCKNNGGZAQA-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C1(Cc2ccccc2C)CC1 ZINC001185194321 1037076626 /nfs/dbraw/zinc/07/66/26/1037076626.db2.gz ZTNJYODOIIQTPI-UHFFFAOYSA-N -1 3 323.392 3.865 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(F)c1 ZINC000404915316 1037089976 /nfs/dbraw/zinc/08/99/76/1037089976.db2.gz KNMQPSRFFCQLHU-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CC1=NO[C@H](CSc2nnc([N-]c3ccccc3F)s2)C1 ZINC000915675057 1037126628 /nfs/dbraw/zinc/12/66/28/1037126628.db2.gz VQQFUARMMQVONO-VIFPVBQESA-N -1 3 324.406 3.678 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198862299 1037148867 /nfs/dbraw/zinc/14/88/67/1037148867.db2.gz QEOMMOJESBILLS-UHFFFAOYSA-N -1 3 305.330 3.681 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C)c(C)c1 ZINC001198951646 1037167909 /nfs/dbraw/zinc/16/79/09/1037167909.db2.gz UZTRRXSZZURHNB-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccsc2)sc1Cl ZINC000669844051 1037184000 /nfs/dbraw/zinc/18/40/00/1037184000.db2.gz ROHIWISOGMCUGE-MRVPVSSYSA-N -1 3 321.876 3.811 20 0 DHADHM CC(C)CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000781121224 1037205642 /nfs/dbraw/zinc/20/56/42/1037205642.db2.gz GRVXKLJNBLIHAG-UHFFFAOYSA-N -1 3 318.186 3.572 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc2c(c1)CCC2 ZINC001185727186 1037222335 /nfs/dbraw/zinc/22/23/35/1037222335.db2.gz MKMQQWVDQDHJMW-UHFFFAOYSA-N -1 3 311.263 3.826 20 0 DHADHM O=S(=O)([N-]CCC1CCCCC1)c1ccc(Cl)s1 ZINC000026871618 1037252908 /nfs/dbraw/zinc/25/29/08/1037252908.db2.gz SEONICSFBFQPRZ-UHFFFAOYSA-N -1 3 307.868 3.650 20 0 DHADHM CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003100558 1037253541 /nfs/dbraw/zinc/25/35/41/1037253541.db2.gz GZTNBLCBLUCRMS-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000489113216 1037262301 /nfs/dbraw/zinc/26/23/01/1037262301.db2.gz FARSMXXNXCESGC-UHFFFAOYSA-N -1 3 306.387 3.652 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccc(Cc2ccc(F)cc2)c1 ZINC001185925727 1037272538 /nfs/dbraw/zinc/27/25/38/1037272538.db2.gz YBXAHQLWKKSQEV-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM Cn1cc(CC(=O)Nc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000049750522 1037280651 /nfs/dbraw/zinc/28/06/51/1037280651.db2.gz DZAHWLZOZMPOBY-UHFFFAOYSA-N -1 3 314.772 3.719 20 0 DHADHM O=C(NCCc1ccc(F)cc1)Nc1cc([O-])cc(Cl)c1 ZINC001186279240 1037354221 /nfs/dbraw/zinc/35/42/21/1037354221.db2.gz GWWBVCNVFLZJTK-UHFFFAOYSA-N -1 3 308.740 3.549 20 0 DHADHM COC(=O)CC1CCC(Oc2c(Cl)ccc([O-])c2F)CC1 ZINC001234263014 1037368144 /nfs/dbraw/zinc/36/81/44/1037368144.db2.gz OHONJAWFSCLRIO-UHFFFAOYSA-N -1 3 316.756 3.685 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@H](C)C1CCCCC1 ZINC001186344430 1037380746 /nfs/dbraw/zinc/38/07/46/1037380746.db2.gz HNADLLODMHTGCT-LLVKDONJSA-N -1 3 304.390 3.685 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000007053429 1037455439 /nfs/dbraw/zinc/45/54/39/1037455439.db2.gz LHLNRBQNLBKIJO-UHFFFAOYSA-N -1 3 301.411 3.675 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC001186678280 1037475342 /nfs/dbraw/zinc/47/53/42/1037475342.db2.gz ZFLNPMUZTDURER-UHFFFAOYSA-N -1 3 304.365 3.622 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1cc(F)cc(F)c1 ZINC001187548031 1037654056 /nfs/dbraw/zinc/65/40/56/1037654056.db2.gz VFZABXRWMILLAZ-UHFFFAOYSA-N -1 3 305.240 3.857 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)sc1Cl ZINC001187673874 1037688656 /nfs/dbraw/zinc/68/86/56/1037688656.db2.gz DIWUCODPVDNLNT-SECBINFHSA-N -1 3 307.868 3.567 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1 ZINC000913134528 1037729397 /nfs/dbraw/zinc/72/93/97/1037729397.db2.gz LGPGDPTXNSIUKA-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC(C)Oc1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001201535180 1037740823 /nfs/dbraw/zinc/74/08/23/1037740823.db2.gz OESUNVGDBPGPBW-UHFFFAOYSA-N -1 3 301.371 3.928 20 0 DHADHM [O-]c1cc(F)cc(-c2nc3cccnc3n2Cc2ccccc2)c1 ZINC000184591444 1037745698 /nfs/dbraw/zinc/74/56/98/1037745698.db2.gz QMPTXJDTSBHKCX-UHFFFAOYSA-N -1 3 319.339 3.991 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)ccc(F)c1F ZINC000185387483 1037796937 /nfs/dbraw/zinc/79/69/37/1037796937.db2.gz DXWNLGQUJKPHIG-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM O=c1[n-]nc(SC2CC3(CCC3)C2)n1CCc1ccccc1 ZINC001188154257 1037818156 /nfs/dbraw/zinc/81/81/56/1037818156.db2.gz HEHLUBLEZRLSOM-UHFFFAOYSA-N -1 3 315.442 3.651 20 0 DHADHM O=S(=O)([N-]c1ccccc1OCc1ccccc1)C1CCC1 ZINC001188130753 1037822497 /nfs/dbraw/zinc/82/24/97/1037822497.db2.gz PNUKGKIIIKCAEJ-UHFFFAOYSA-N -1 3 317.410 3.560 20 0 DHADHM CC(C)(C)COc1cccc(F)c1[N-]S(=O)(=O)C1CCC1 ZINC001188144164 1037826866 /nfs/dbraw/zinc/82/68/66/1037826866.db2.gz IQVAXUZSZDWJKK-UHFFFAOYSA-N -1 3 315.410 3.545 20 0 DHADHM CC(=O)c1cc(Br)c(C)cc1Nc1cncc([O-])c1 ZINC001201648007 1037833470 /nfs/dbraw/zinc/83/34/70/1037833470.db2.gz GGSYAXQMPAJKPV-UHFFFAOYSA-N -1 3 321.174 3.804 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)s1 ZINC001188252625 1037858077 /nfs/dbraw/zinc/85/80/77/1037858077.db2.gz MURHBXGZXIQXAK-UHFFFAOYSA-N -1 3 315.398 3.880 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000124089145 1037879495 /nfs/dbraw/zinc/87/94/95/1037879495.db2.gz VNLCLOSMPHNPPZ-JTQLQIEISA-N -1 3 321.323 3.512 20 0 DHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OC)cc1[O-] ZINC000124439644 1037899205 /nfs/dbraw/zinc/89/92/05/1037899205.db2.gz OPFIJNWTJVWCPY-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC001188646874 1037945463 /nfs/dbraw/zinc/94/54/63/1037945463.db2.gz IVZSHHNVWAZAMK-UHFFFAOYSA-N -1 3 304.415 3.553 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC001188655736 1037948332 /nfs/dbraw/zinc/94/83/32/1037948332.db2.gz YQNJFDABNCLAMG-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1ccc(F)cc1F ZINC001202012607 1037966027 /nfs/dbraw/zinc/96/60/27/1037966027.db2.gz YLNYLNQAPSUQLM-UHFFFAOYSA-N -1 3 322.315 3.626 20 0 DHADHM O=c1cc(CSCc2ccc(Cl)cn2)nc(C2CC2)[n-]1 ZINC000571031393 1038057187 /nfs/dbraw/zinc/05/71/87/1038057187.db2.gz QRVFUIPHJIXTGZ-UHFFFAOYSA-N -1 3 307.806 3.541 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C(C)C)cc32)o1 ZINC000494373673 1038074384 /nfs/dbraw/zinc/07/43/84/1038074384.db2.gz ZZKDVQBIRDFNNH-INIZCTEOSA-N -1 3 319.426 3.677 20 0 DHADHM O=C([N-]c1cc(-c2cccc(F)c2)no1)Nc1nccs1 ZINC001189346095 1038120327 /nfs/dbraw/zinc/12/03/27/1038120327.db2.gz RGHBLXZCYGKUGL-UHFFFAOYSA-N -1 3 304.306 3.581 20 0 DHADHM O=C(Nc1nccs1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001189377064 1038138227 /nfs/dbraw/zinc/13/82/27/1038138227.db2.gz WGFLEVUSHFZJEJ-UHFFFAOYSA-N -1 3 303.265 3.512 20 0 DHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])cc1 ZINC000126963586 1038139629 /nfs/dbraw/zinc/13/96/29/1038139629.db2.gz BEBZGDTVHXKOMH-KRWDZBQOSA-N -1 3 311.381 3.774 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2CCC(C)C)[n-]1 ZINC000571620854 1038172894 /nfs/dbraw/zinc/17/28/94/1038172894.db2.gz PFTZMCDVSABREU-UHFFFAOYSA-N -1 3 314.385 3.642 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C ZINC001190460847 1038323374 /nfs/dbraw/zinc/32/33/74/1038323374.db2.gz NAHJKEIUHAVDIR-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM CCCCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1(C)C ZINC000572127601 1038338238 /nfs/dbraw/zinc/33/82/38/1038338238.db2.gz LBQSXQBRJVWKGE-HOTGVXAUSA-N -1 3 323.433 3.702 20 0 DHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C)cc1F ZINC001191045459 1038436151 /nfs/dbraw/zinc/43/61/51/1038436151.db2.gz PCWUHZOXKDYRBA-NHYWBVRUSA-N -1 3 317.401 3.520 20 0 DHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C)cc1F ZINC001191045457 1038436700 /nfs/dbraw/zinc/43/67/00/1038436700.db2.gz PCWUHZOXKDYRBA-ABAIWWIYSA-N -1 3 317.401 3.520 20 0 DHADHM Cc1ccc(-c2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2)o1 ZINC001191196682 1038460423 /nfs/dbraw/zinc/46/04/23/1038460423.db2.gz IWYYUEHLFPCPMT-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C(NCCCc1ccccc1)Nc1c([O-])cccc1Cl ZINC001191208287 1038462092 /nfs/dbraw/zinc/46/20/92/1038462092.db2.gz KCRSVCVYKHQOGT-UHFFFAOYSA-N -1 3 304.777 3.800 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1c(Cl)ccc2cccnc21 ZINC001191529522 1038515224 /nfs/dbraw/zinc/51/52/24/1038515224.db2.gz HZGVZXBHMLDJTJ-UHFFFAOYSA-N -1 3 324.833 3.820 20 0 DHADHM CCOC(=O)c1cnoc1[N-]C(=O)Nc1ccccc1C(C)C ZINC001192225378 1038613194 /nfs/dbraw/zinc/61/31/94/1038613194.db2.gz RNHAVZBWWYMYDA-UHFFFAOYSA-N -1 3 317.345 3.619 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC2(C(F)(F)F)CC2)c([O-])c1 ZINC001192341673 1038631943 /nfs/dbraw/zinc/63/19/43/1038631943.db2.gz ZRZGXUZGPDAAEJ-UHFFFAOYSA-N -1 3 301.308 3.514 20 0 DHADHM O=C1OCCN1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000157209304 1038736118 /nfs/dbraw/zinc/73/61/18/1038736118.db2.gz AHCBRENHDBBOJF-UHFFFAOYSA-N -1 3 318.760 3.614 20 0 DHADHM CC[C@@H](CCNCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669482176 1039499636 /nfs/dbraw/zinc/49/96/36/1039499636.db2.gz SXEKCQDHRDNECV-VIFPVBQESA-N -1 3 321.751 3.532 20 0 DHADHM CC(C)OC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000593419836 1039527956 /nfs/dbraw/zinc/52/79/56/1039527956.db2.gz JUWVCJSFQRKPAK-UHFFFAOYSA-N -1 3 305.418 3.545 20 0 DHADHM O=C([N-]c1cnc(-c2ccccc2)s1)c1ocnc1C(F)F ZINC001127159070 1039649025 /nfs/dbraw/zinc/64/90/25/1039649025.db2.gz DGUKAFWEMCCEJL-UHFFFAOYSA-N -1 3 321.308 3.988 20 0 DHADHM Cc1ccc(SCC(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000606536974 1039922027 /nfs/dbraw/zinc/92/20/27/1039922027.db2.gz NTTONGAEXUQFKJ-UHFFFAOYSA-N -1 3 319.401 3.557 20 0 DHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OCc1ccccc1 ZINC000172497236 1039922225 /nfs/dbraw/zinc/92/22/25/1039922225.db2.gz LRLMBKBEDSPNFZ-UHFFFAOYSA-N -1 3 314.772 3.612 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000606628502 1039930608 /nfs/dbraw/zinc/93/06/08/1039930608.db2.gz KJQKXYDFSNXJON-QLFBSQMISA-N -1 3 320.408 3.689 20 0 DHADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669056 1039945437 /nfs/dbraw/zinc/94/54/37/1039945437.db2.gz DOSORPYCVTXNKY-GDBMZVCRSA-N -1 3 322.424 3.935 20 0 DHADHM CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606721071 1039961538 /nfs/dbraw/zinc/96/15/38/1039961538.db2.gz WXSSJWAJONXHOW-UHFFFAOYSA-N -1 3 316.376 3.571 20 0 DHADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)C1 ZINC000606910193 1040033087 /nfs/dbraw/zinc/03/30/87/1040033087.db2.gz WGZSONZUOQKZSY-MYJAWHEDSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1ccc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c(F)c1 ZINC000607995519 1040346083 /nfs/dbraw/zinc/34/60/83/1040346083.db2.gz VAPXJUWLCOSKEK-UHFFFAOYSA-N -1 3 315.279 3.576 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CC12CCCC2 ZINC000457171238 1041032267 /nfs/dbraw/zinc/03/22/67/1041032267.db2.gz PHIXBRKRDAWWPC-SFHVURJKSA-N -1 3 324.424 3.569 20 0 DHADHM CN(CCC/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000060805103 1041069403 /nfs/dbraw/zinc/06/94/03/1041069403.db2.gz YAZIIEYSYDISMV-CPNJWEJPSA-N -1 3 302.805 3.991 20 0 DHADHM [O-]c1cccc(OC2CCCCC2)c1I ZINC000095721738 185383454 /nfs/dbraw/zinc/38/34/54/185383454.db2.gz ZXDHMLHZOYDVIJ-UHFFFAOYSA-N -1 3 318.154 3.708 20 0 DHADHM CC(C)CC[C@](C)(NCc1ncc(C(F)(F)F)s1)C(=O)[O-] ZINC000417534038 334954704 /nfs/dbraw/zinc/95/47/04/334954704.db2.gz NQIXUEJFDPNCRA-LBPRGKRZSA-N -1 3 324.368 3.531 20 0 DHADHM CC(C)c1cnc(CNC[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000417546023 334961649 /nfs/dbraw/zinc/96/16/49/334961649.db2.gz LDUVJUKFISRQIQ-AWEZNQCLSA-N -1 3 318.442 3.615 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)ccc1[O-] ZINC000442897707 338439043 /nfs/dbraw/zinc/43/90/43/338439043.db2.gz JJALHMAWWOJSSF-OAHLLOKOSA-N -1 3 315.344 3.517 20 0 DHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1sccc1Cl ZINC000417554163 334967506 /nfs/dbraw/zinc/96/75/06/334967506.db2.gz JECXVZYTSFIGAB-ZDUSSCGKSA-N -1 3 309.818 3.577 20 0 DHADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003581278 181037152 /nfs/dbraw/zinc/03/71/52/181037152.db2.gz RQOQQVYAJFKTSH-UHFFFAOYSA-N -1 3 303.427 3.975 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1(Cc2ccccc2F)CC1 ZINC000442671441 335003637 /nfs/dbraw/zinc/00/36/37/335003637.db2.gz LHJQBRDKZGIKKB-UHFFFAOYSA-N -1 3 303.308 3.632 20 0 DHADHM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2ccccc2)cc1F ZINC000417610320 335010175 /nfs/dbraw/zinc/01/01/75/335010175.db2.gz SVTGFKRSQPERGO-SFHVURJKSA-N -1 3 313.372 3.836 20 0 DHADHM C[C@@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417618663 335013140 /nfs/dbraw/zinc/01/31/40/335013140.db2.gz YEAIYDYXJUMKCA-QMMMGPOBSA-N -1 3 309.715 3.702 20 0 DHADHM CCc1cccc(F)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417623376 335018027 /nfs/dbraw/zinc/01/80/27/335018027.db2.gz JPIGKLGUXQRYGX-MAUKXSAKSA-N -1 3 313.372 3.791 20 0 DHADHM CC(C)(C)CC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417631404 335019913 /nfs/dbraw/zinc/01/99/13/335019913.db2.gz FCZQXNLXIKWXRR-ZDUSSCGKSA-N -1 3 301.789 3.848 20 0 DHADHM C[C@H](CC(C)(C)NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000417638461 335022435 /nfs/dbraw/zinc/02/24/35/335022435.db2.gz PMDWTOVLCGUJNP-GFCCVEGCSA-N -1 3 318.442 3.789 20 0 DHADHM C[C@H]([C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-])C1CC1 ZINC000417639190 335022683 /nfs/dbraw/zinc/02/26/83/335022683.db2.gz LNOMLRRZGWFIJA-QUBYGPBYSA-N -1 3 308.230 3.644 20 0 DHADHM CC[C@@H](CCNCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000417648540 335030155 /nfs/dbraw/zinc/03/01/55/335030155.db2.gz JQEHNIKXJBBGHN-VIFPVBQESA-N -1 3 321.751 3.532 20 0 DHADHM C[C@@H](CC(C)(C)C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000457192857 335030175 /nfs/dbraw/zinc/03/01/75/335030175.db2.gz MOERTYQEZHJFEJ-VIFPVBQESA-N -1 3 303.324 3.966 20 0 DHADHM COc1ccc(F)cc1CNCCC1(CC(=O)[O-])CCCCC1 ZINC000417656539 335031221 /nfs/dbraw/zinc/03/12/21/335031221.db2.gz WYFLCZTZDJWCDZ-UHFFFAOYSA-N -1 3 323.408 3.739 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000442925418 338439603 /nfs/dbraw/zinc/43/96/03/338439603.db2.gz RTWYPDOXQFLWLC-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)cc2[O-])s1 ZINC000106710769 194245642 /nfs/dbraw/zinc/24/56/42/194245642.db2.gz HZKZEFRSCMKDMB-NSHDSACASA-N -1 3 304.415 3.607 20 0 DHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000272700354 130056313 /nfs/dbraw/zinc/05/63/13/130056313.db2.gz FKAXNMKHUPAGKM-UHFFFAOYSA-N -1 3 309.316 3.737 20 0 DHADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000273898234 130184303 /nfs/dbraw/zinc/18/43/03/130184303.db2.gz SBQPLTAGKGRJAC-PWSUYJOCSA-N -1 3 309.793 3.626 20 0 DHADHM Cc1ccc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cn1 ZINC000274010492 130198118 /nfs/dbraw/zinc/19/81/18/130198118.db2.gz WEBWLYOJQTVGJJ-UHFFFAOYSA-N -1 3 309.369 3.860 20 0 DHADHM CC[C@@H]1C[C@@H](CC(=O)N2CC[C@H](C)c3cccc([O-])c32)CCO1 ZINC000274380795 130230245 /nfs/dbraw/zinc/23/02/45/130230245.db2.gz MYEPKAACOFSWDF-SOUVJXGZSA-N -1 3 317.429 3.828 20 0 DHADHM C[C@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1(C)C ZINC000275670071 130358670 /nfs/dbraw/zinc/35/86/70/130358670.db2.gz NCQANTWLQTVSCL-GXFFZTMASA-N -1 3 300.358 3.551 20 0 DHADHM C[C@@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1(C)C ZINC000275670077 130359729 /nfs/dbraw/zinc/35/97/29/130359729.db2.gz NCQANTWLQTVSCL-MFKMUULPSA-N -1 3 300.358 3.551 20 0 DHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000277222348 130591350 /nfs/dbraw/zinc/59/13/50/130591350.db2.gz HYAVPUJUFCBPRB-AWEZNQCLSA-N -1 3 318.442 3.789 20 0 DHADHM Cc1csc(C(=O)[N-]c2c(C)noc2C)c1Br ZINC000277234183 130592649 /nfs/dbraw/zinc/59/26/49/130592649.db2.gz MOMZSXODXOSUSV-UHFFFAOYSA-N -1 3 315.192 3.676 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC000340251585 131274708 /nfs/dbraw/zinc/27/47/08/131274708.db2.gz HDRLJWODNVIFJN-UHFFFAOYSA-N -1 3 303.343 3.569 20 0 DHADHM CCOc1cc(-c2noc(-c3c(C)coc3C)n2)ccc1[O-] ZINC000289041336 131354248 /nfs/dbraw/zinc/35/42/48/131354248.db2.gz GSNJVMCPSUBHHQ-UHFFFAOYSA-N -1 3 300.314 3.718 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000289079750 131356850 /nfs/dbraw/zinc/35/68/50/131356850.db2.gz HMXQFZYVQOHRCZ-UHFFFAOYSA-N -1 3 323.418 3.822 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ncsc2C(C)C)no1 ZINC000289168224 131362810 /nfs/dbraw/zinc/36/28/10/131362810.db2.gz OPJFGKYTXWYDHO-UHFFFAOYSA-N -1 3 311.432 3.760 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC000340375846 131557797 /nfs/dbraw/zinc/55/77/97/131557797.db2.gz NLLGTDUXGPIZAX-MRVPVSSYSA-N -1 3 311.715 3.815 20 0 DHADHM CCc1cc(C(=O)Nc2c(C)cc(N(C)C)cc2C)ccc1[O-] ZINC000292155029 131628611 /nfs/dbraw/zinc/62/86/11/131628611.db2.gz MTGDKUZWVUYRFH-UHFFFAOYSA-N -1 3 312.413 3.890 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1F ZINC000294760518 131858692 /nfs/dbraw/zinc/85/86/92/131858692.db2.gz SBNGDENTEJMAAU-UGSOOPFHSA-N -1 3 319.351 3.538 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1cc(-c2ccco2)nn1C(C)C ZINC000297113151 132000812 /nfs/dbraw/zinc/00/08/12/132000812.db2.gz MZPZZDUFGNWSPR-GFCCVEGCSA-N -1 3 320.393 3.823 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000297113151 132000813 /nfs/dbraw/zinc/00/08/13/132000813.db2.gz MZPZZDUFGNWSPR-GFCCVEGCSA-N -1 3 320.393 3.823 20 0 DHADHM CCOc1cc(CNc2cn(C)nc2C(C)C)cc(Cl)c1[O-] ZINC000298053984 132045304 /nfs/dbraw/zinc/04/53/04/132045304.db2.gz JCFVGWYMGMBPRM-UHFFFAOYSA-N -1 3 323.824 3.913 20 0 DHADHM CCOc1cc(CNCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000298350037 132057789 /nfs/dbraw/zinc/05/77/89/132057789.db2.gz VKMCFMQGSMVUDL-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM CCOc1cc(CN[C@H](C)c2ccccn2)cc(Cl)c1[O-] ZINC000299252306 132095275 /nfs/dbraw/zinc/09/52/75/132095275.db2.gz DELPFOROSJSCDK-LLVKDONJSA-N -1 3 306.793 3.690 20 0 DHADHM CCOc1cc(CNCc2cccc(OC)c2)cc(Cl)c1[O-] ZINC000299272600 132096633 /nfs/dbraw/zinc/09/66/33/132096633.db2.gz USKPRNQGFPLTOT-UHFFFAOYSA-N -1 3 321.804 3.743 20 0 DHADHM Cc1ccc(C)n1C1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000299582482 132112025 /nfs/dbraw/zinc/11/20/25/132112025.db2.gz VMFLZKJFBAEPFE-UHFFFAOYSA-N -1 3 312.413 3.596 20 0 DHADHM C[C@@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000340676453 132145361 /nfs/dbraw/zinc/14/53/61/132145361.db2.gz PJJXOQPQSIRHSP-LLVKDONJSA-N -1 3 305.761 3.695 20 0 DHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccncc2F)c(C)c1C ZINC000120845378 132147363 /nfs/dbraw/zinc/14/73/63/132147363.db2.gz GZQFONASUBWARO-UHFFFAOYSA-N -1 3 322.405 3.564 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1cc(C(F)(F)F)ccc1F ZINC000417701998 335065827 /nfs/dbraw/zinc/06/58/27/335065827.db2.gz KALFSNICWBELGB-CYBMUJFWSA-N -1 3 319.298 3.578 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C3CC3)on2)c1 ZINC000194511743 335073796 /nfs/dbraw/zinc/07/37/96/335073796.db2.gz JBPJLFGOHMUCTM-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1[O-] ZINC000442948127 338440021 /nfs/dbraw/zinc/44/00/21/338440021.db2.gz UJGKOORGNAFEBT-MRXNPFEDSA-N -1 3 317.429 3.976 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000184754582 335087652 /nfs/dbraw/zinc/08/76/52/335087652.db2.gz TYXMBCJYFUYSJR-CXAGYDPISA-N -1 3 310.397 3.573 20 0 DHADHM CCc1cnc(C[N-]c2nnc(-c3ccc(C)s3)o2)s1 ZINC000519073160 435667357 /nfs/dbraw/zinc/66/73/57/435667357.db2.gz ZHTHDKTYLOBFAS-UHFFFAOYSA-N -1 3 306.416 3.738 20 0 DHADHM Cc1cc(C)cc(CSCC(=O)Nc2ccccc2[O-])c1 ZINC000180713726 331576262 /nfs/dbraw/zinc/57/62/62/331576262.db2.gz QGNJUPNOVYLNQN-UHFFFAOYSA-N -1 3 301.411 3.881 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3ncco3)c2)c1[O-] ZINC000533610155 331605561 /nfs/dbraw/zinc/60/55/61/331605561.db2.gz VBSBDFBTCPTXKV-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CCc1ccc([O-])c(C(=O)NC[C@H](c2cccnc2)C(C)C)c1 ZINC000530720840 331621259 /nfs/dbraw/zinc/62/12/59/331621259.db2.gz PUSPULOVGIUBMK-KRWDZBQOSA-N -1 3 312.413 3.519 20 0 DHADHM CC(C)(CCNCc1c(F)cccc1Cl)CCC(=O)[O-] ZINC000087677238 331770984 /nfs/dbraw/zinc/77/09/84/331770984.db2.gz MXDTZORDAIHPOX-UHFFFAOYSA-N -1 3 301.789 3.850 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1[O-] ZINC000517906902 331977241 /nfs/dbraw/zinc/97/72/41/331977241.db2.gz KMNGZAVESRNCOE-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccc(F)cc3)n2)n1 ZINC000559196158 331988299 /nfs/dbraw/zinc/98/82/99/331988299.db2.gz WXUUDQNAGYZEST-VOTSOKGWSA-N -1 3 313.357 3.924 20 0 DHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000090538175 332005227 /nfs/dbraw/zinc/00/52/27/332005227.db2.gz SMLUGKGMKZEHLM-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM COc1ccccc1[C@H](NCc1ccc2ccccc2c1)C(=O)[O-] ZINC000426774929 332017195 /nfs/dbraw/zinc/01/71/95/332017195.db2.gz QSBCKVJWVAEZJE-IBGZPJMESA-N -1 3 321.376 3.764 20 0 DHADHM CCCc1occc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000409789287 332056203 /nfs/dbraw/zinc/05/62/03/332056203.db2.gz ZBKATVCBHXARGJ-UHFFFAOYSA-N -1 3 324.174 3.953 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(c3ccccc3F)CC2)c1 ZINC000569447588 332088429 /nfs/dbraw/zinc/08/84/29/332088429.db2.gz WYQNEMYNYJSLJP-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM O=C(c1ccccc1[O-])N1CC=C(c2ccccc2Cl)CC1 ZINC000092030236 332100835 /nfs/dbraw/zinc/10/08/35/332100835.db2.gz OOUZVGMRDNHULG-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM O=C([O-])c1occc1CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000569492254 332102303 /nfs/dbraw/zinc/10/23/03/332102303.db2.gz KPZLVZROYRKIRL-CQSZACIVSA-N -1 3 319.788 3.838 20 0 DHADHM O=S(=O)(CCC1CC1)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410421527 332126097 /nfs/dbraw/zinc/12/60/97/332126097.db2.gz JOPSHZMAVJPYNV-UHFFFAOYSA-N -1 3 312.193 3.674 20 0 DHADHM CC(C)[C@H](c1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1 ZINC000569542664 332132179 /nfs/dbraw/zinc/13/21/79/332132179.db2.gz LHSFXNHHIKIBTP-INIZCTEOSA-N -1 3 319.368 3.796 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000426781484 332152788 /nfs/dbraw/zinc/15/27/88/332152788.db2.gz AIDOIEHFURUUNY-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM Cc1cc([C@H](NCc2ccc(F)cc2)C(=O)[O-])ccc1Cl ZINC000426826693 332155712 /nfs/dbraw/zinc/15/57/12/332155712.db2.gz UHJOHUQCSOYXJC-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1ccc(-c2nc(CN[C@@H](CC(=O)[O-])C(C)C)cs2)cc1 ZINC000426829324 332155938 /nfs/dbraw/zinc/15/59/38/332155938.db2.gz OUJJXNOAEOTOJQ-HNNXBMFYSA-N -1 3 318.442 3.707 20 0 DHADHM CC(C)[C@@H](CC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000426811540 332156850 /nfs/dbraw/zinc/15/68/50/332156850.db2.gz MZFVBSRXGBRPJE-CQSZACIVSA-N -1 3 322.405 3.538 20 0 DHADHM CCC[C@@H](C)C[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426816789 332157297 /nfs/dbraw/zinc/15/72/97/332157297.db2.gz QMWFRXVEXROOHZ-QMTHXVAHSA-N -1 3 301.789 3.848 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]cc1-c1ccccc1F ZINC000426990578 332164076 /nfs/dbraw/zinc/16/40/76/332164076.db2.gz IYQMGGLQFRUDCI-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000426991385 332164078 /nfs/dbraw/zinc/16/40/78/332164078.db2.gz MQHIFPKJOXEUCP-KGLIPLIRSA-N -1 3 307.271 3.519 20 0 DHADHM Cc1ccc(-n2ccnc2SCc2ncccc2[O-])cc1C ZINC000559629335 332275320 /nfs/dbraw/zinc/27/53/20/332275320.db2.gz RGDJKWLHWOGNDK-UHFFFAOYSA-N -1 3 311.410 3.882 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000559786250 332282097 /nfs/dbraw/zinc/28/20/97/332282097.db2.gz SPLGRKOFRNWCET-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1cncc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000343329764 335101147 /nfs/dbraw/zinc/10/11/47/335101147.db2.gz CVRDVPIKMWUKEF-UHFFFAOYSA-N -1 3 324.302 3.686 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000448752180 332535579 /nfs/dbraw/zinc/53/55/79/332535579.db2.gz QXWSUVWFTJVSPK-MRXNPFEDSA-N -1 3 317.335 3.577 20 0 DHADHM CCC(CC)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000427935174 332566953 /nfs/dbraw/zinc/56/69/53/332566953.db2.gz OAUSWHQPZUPCLC-UHFFFAOYSA-N -1 3 315.388 3.906 20 0 DHADHM [O-]c1cccnc1CN[C@H](Cc1ccccc1)c1cccs1 ZINC000584318406 332670201 /nfs/dbraw/zinc/67/02/01/332670201.db2.gz HSTRHLOPCJWPCG-OAHLLOKOSA-N -1 3 310.422 3.922 20 0 DHADHM O=C(Nc1ccccc1[O-])c1c(F)cccc1Br ZINC000176782666 332955169 /nfs/dbraw/zinc/95/51/69/332955169.db2.gz FKCUSPMFPIIVNB-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM O=C([O-])[C@H]1CCCN(Cc2ccc(Cl)c3ccccc23)C1 ZINC000580202191 333003020 /nfs/dbraw/zinc/00/30/20/333003020.db2.gz WCOLRTLGVXFHKV-ZDUSSCGKSA-N -1 3 303.789 3.790 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2ccc(F)cc2)no1 ZINC000109479129 333013899 /nfs/dbraw/zinc/01/38/99/333013899.db2.gz SJLVKAHKLVSMHM-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM Cc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1[O-] ZINC000179692076 333026132 /nfs/dbraw/zinc/02/61/32/333026132.db2.gz UHYZVLLUYAIRTO-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM CN(C)Cc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000580226497 333030448 /nfs/dbraw/zinc/03/04/48/333030448.db2.gz GAKKECXGYOKCCQ-UHFFFAOYSA-N -1 3 320.392 3.859 20 0 DHADHM CCOc1cc(-c2noc([C@H](C)OCC(C)C)n2)ccc1[O-] ZINC000580274436 333050296 /nfs/dbraw/zinc/05/02/96/333050296.db2.gz RGVVYMUIMCRZCV-NSHDSACASA-N -1 3 306.362 3.575 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000179543791 333152389 /nfs/dbraw/zinc/15/23/89/333152389.db2.gz ROEUCWSEZAHQKN-UHFFFAOYSA-N -1 3 324.384 3.587 20 0 DHADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1cc(C)on1 ZINC000580852084 333179118 /nfs/dbraw/zinc/17/91/18/333179118.db2.gz GLMKSECJUAWQOU-UHFFFAOYSA-N -1 3 322.386 3.597 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@H](C)c1ccc(F)cc1F ZINC000497692582 333278991 /nfs/dbraw/zinc/27/89/91/333278991.db2.gz SEPPUZMFCQLBAI-SECBINFHSA-N -1 3 313.373 3.915 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cn3ccccc3n2)c([O-])c1 ZINC000501942863 333281958 /nfs/dbraw/zinc/28/19/58/333281958.db2.gz AXHRLYCMDZDNFN-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000193196740 333300161 /nfs/dbraw/zinc/30/01/61/333300161.db2.gz WGZYCSQTRBCLDI-AOOOYVTPSA-N -1 3 301.308 3.720 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000531198696 333330981 /nfs/dbraw/zinc/33/09/81/333330981.db2.gz MBNVDZKVDHRMRE-WMLDXEAASA-N -1 3 309.409 3.973 20 0 DHADHM CC(C)COc1ccc(CC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531373637 333347101 /nfs/dbraw/zinc/34/71/01/333347101.db2.gz XHAUIRXLKGPJJY-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(F)c(C)c3)no2)c1[O-] ZINC000184850010 333368032 /nfs/dbraw/zinc/36/80/32/333368032.db2.gz YQNDGCVWGSJITO-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000488552227 333384021 /nfs/dbraw/zinc/38/40/21/333384021.db2.gz UGOOPLBECZEVAM-CYBMUJFWSA-N -1 3 307.434 3.815 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000353824306 335137462 /nfs/dbraw/zinc/13/74/62/335137462.db2.gz JEHSTTYXGXWXIJ-UHFFFAOYSA-N -1 3 301.308 3.816 20 0 DHADHM O=C(Cc1ccc(Cl)cc1)N1CCCc2cccc([O-])c21 ZINC000063063820 333390333 /nfs/dbraw/zinc/39/03/33/333390333.db2.gz UDUNPGKOESTDTP-UHFFFAOYSA-N -1 3 301.773 3.568 20 0 DHADHM O=C([O-])[C@H]1CC12CCN(C/C=C\c1ccc(Cl)cc1)CC2 ZINC000563277554 333518550 /nfs/dbraw/zinc/51/85/50/333518550.db2.gz SMKZPNIEBHWIRU-DJYNDVHFSA-N -1 3 305.805 3.540 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@]3(C)C(C)C)nc2)n1 ZINC000413428489 333847458 /nfs/dbraw/zinc/84/74/58/333847458.db2.gz BPTOCKXAEOWEKJ-KBXCAEBGSA-N -1 3 312.417 3.653 20 0 DHADHM CC[C@H](OC1CCCC1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000413715467 333868680 /nfs/dbraw/zinc/86/86/80/333868680.db2.gz RODPWUUWYLVNNO-GUYCJALGSA-N -1 3 317.429 3.970 20 0 DHADHM [O-]c1ccc(Br)c(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000414512281 334003355 /nfs/dbraw/zinc/00/33/55/334003355.db2.gz MLAKGBKWWUNCRO-CHWSQXEVSA-N -1 3 302.187 3.525 20 0 DHADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000436843855 334006213 /nfs/dbraw/zinc/00/62/13/334006213.db2.gz KKLYJOOCVFVKHF-HNNXBMFYSA-N -1 3 301.411 3.985 20 0 DHADHM CSc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000272528631 334036666 /nfs/dbraw/zinc/03/66/66/334036666.db2.gz WOQWKOUTIJWBEJ-CQSZACIVSA-N -1 3 307.440 3.776 20 0 DHADHM CCn1ncc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)n1 ZINC000293152060 334195812 /nfs/dbraw/zinc/19/58/12/334195812.db2.gz KVQYERSVMWNZSJ-UHFFFAOYSA-N -1 3 324.837 3.704 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000110486116 334276219 /nfs/dbraw/zinc/27/62/19/334276219.db2.gz PWLCCURHBVYESJ-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1nc2ccc(NC(=O)c3cn[n-]c3-c3ccsc3)cc2o1 ZINC000187633756 334266263 /nfs/dbraw/zinc/26/62/63/334266263.db2.gz YAZJGMORNXYELH-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1nc2ccc(NC(=O)c3c[n-]nc3-c3ccsc3)cc2o1 ZINC000187633756 334266264 /nfs/dbraw/zinc/26/62/64/334266264.db2.gz YAZJGMORNXYELH-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1cc(F)cc2nccnc21 ZINC000187908552 334364680 /nfs/dbraw/zinc/36/46/80/334364680.db2.gz NUZNOBOXZOVXMR-UHFFFAOYSA-N -1 3 307.737 3.736 20 0 DHADHM Cc1nc([C@@H]2CCCO2)sc1C(=O)[N-]c1c(F)cccc1F ZINC000340947212 334395822 /nfs/dbraw/zinc/39/58/22/334395822.db2.gz IMIKYLHNQOLPJI-NSHDSACASA-N -1 3 324.352 3.834 20 0 DHADHM C[C@]1(c2ccccc2)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000342743827 334565832 /nfs/dbraw/zinc/56/58/32/334565832.db2.gz KIKIRBARTHOTHJ-SFHVURJKSA-N -1 3 315.800 3.849 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCCCS1 ZINC000443554799 338454364 /nfs/dbraw/zinc/45/43/64/338454364.db2.gz ABPXGXFMPAHPMW-NSHDSACASA-N -1 3 321.320 3.515 20 0 DHADHM CC(F)(F)c1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417029474 334689423 /nfs/dbraw/zinc/68/94/23/334689423.db2.gz NGDKXLKEKRBUTD-UHFFFAOYSA-N -1 3 305.328 3.783 20 0 DHADHM CC[C@@H](OC1CCCC1)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000417256379 334699304 /nfs/dbraw/zinc/69/93/04/334699304.db2.gz RTQKSONUCOEMLT-CQSZACIVSA-N -1 3 318.373 3.861 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cccc(F)c1F ZINC000102232342 334713475 /nfs/dbraw/zinc/71/34/75/334713475.db2.gz QCKUNIGAIOMLTD-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM Cc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)c([O-])c1 ZINC000535329341 334716996 /nfs/dbraw/zinc/71/69/96/334716996.db2.gz IQDAQMPCVSSJNC-UHFFFAOYSA-N -1 3 323.751 3.901 20 0 DHADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccccc1[O-] ZINC000113122950 334730637 /nfs/dbraw/zinc/73/06/37/334730637.db2.gz ZGFPWMZTHGALEK-UHFFFAOYSA-N -1 3 301.361 3.626 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CC2(O)CCCCC2)c([O-])c1 ZINC000330421833 334780965 /nfs/dbraw/zinc/78/09/65/334780965.db2.gz ZWVOHIZGKQORBH-UHFFFAOYSA-N -1 3 305.418 3.714 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc(Cl)cc1 ZINC000189742951 334910080 /nfs/dbraw/zinc/91/00/80/334910080.db2.gz KLHAVHYKIFGEBJ-UHFFFAOYSA-N -1 3 308.211 3.856 20 0 DHADHM CCN(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000343803646 335193962 /nfs/dbraw/zinc/19/39/62/335193962.db2.gz MFIBPBIRRQQUGA-MRXNPFEDSA-N -1 3 318.804 3.677 20 0 DHADHM COC(=O)c1cccc2nc(NC(=O)CCCC(C)(C)C)[n-]c21 ZINC000344446624 335249566 /nfs/dbraw/zinc/24/95/66/335249566.db2.gz CXPBJLNLDNTFQA-UHFFFAOYSA-N -1 3 317.389 3.504 20 0 DHADHM COC(=O)c1cccc2[n-]c(NC(=O)CCCC(C)(C)C)nc21 ZINC000344446624 335249567 /nfs/dbraw/zinc/24/95/67/335249567.db2.gz CXPBJLNLDNTFQA-UHFFFAOYSA-N -1 3 317.389 3.504 20 0 DHADHM COCc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000344994881 335289973 /nfs/dbraw/zinc/28/99/73/335289973.db2.gz XKTOUSZHDCAFIR-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM C[C@@H]1CCCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468614901 335295191 /nfs/dbraw/zinc/29/51/91/335295191.db2.gz HDWVRPILMCGBIH-UKRRQHHQSA-N -1 3 307.409 3.797 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cccnc2C2CC2)c1[O-] ZINC000345158888 335302339 /nfs/dbraw/zinc/30/23/39/335302339.db2.gz ZJJOAEZZHCJMNW-UHFFFAOYSA-N -1 3 302.761 3.879 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccc(Cl)cc2)n1 ZINC000345924322 335361270 /nfs/dbraw/zinc/36/12/70/335361270.db2.gz IIIWIHLSFCQDIS-UHFFFAOYSA-N -1 3 304.777 3.665 20 0 DHADHM CCc1nc(C(C)C)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000345941470 335362557 /nfs/dbraw/zinc/36/25/57/335362557.db2.gz DJDZCQIYVDHHBX-UHFFFAOYSA-N -1 3 302.349 3.864 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC000345921835 335365687 /nfs/dbraw/zinc/36/56/87/335365687.db2.gz FFHQCVPDAQAWAG-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1cc([O-])ccc1Cl ZINC000346010949 335369387 /nfs/dbraw/zinc/36/93/87/335369387.db2.gz KFCVQBHPKUAXAP-UHFFFAOYSA-N -1 3 313.825 3.715 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc2[n-]1 ZINC000346313458 335398785 /nfs/dbraw/zinc/39/87/85/335398785.db2.gz SBGWJVOMDSIQSM-UHFFFAOYSA-N -1 3 320.352 3.695 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cccc4[nH]ccc43)ccc2[n-]1 ZINC000346313458 335398787 /nfs/dbraw/zinc/39/87/87/335398787.db2.gz SBGWJVOMDSIQSM-UHFFFAOYSA-N -1 3 320.352 3.695 20 0 DHADHM Cc1ncc(CN[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000346809599 335442828 /nfs/dbraw/zinc/44/28/28/335442828.db2.gz QMAJAKXZUUPSQD-MRVPVSSYSA-N -1 3 312.200 3.648 20 0 DHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000347264418 335484440 /nfs/dbraw/zinc/48/44/40/335484440.db2.gz JFIXUHYMGPEHJQ-KWQFWETISA-N -1 3 321.726 3.849 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1Cc2ccccc2C2(CC2)C1 ZINC000347270433 335485125 /nfs/dbraw/zinc/48/51/25/335485125.db2.gz UDUURCQHXDIBAB-UHFFFAOYSA-N -1 3 313.784 3.733 20 0 DHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1csc(=O)[n-]1 ZINC000348906376 335617751 /nfs/dbraw/zinc/61/77/51/335617751.db2.gz AVVRBELDRYJIRS-UHFFFAOYSA-N -1 3 310.806 3.553 20 0 DHADHM Cc1nc(-c2ccc(C)c(NCc3cc([O-])cc(F)c3)c2)n[nH]1 ZINC000349628472 335686233 /nfs/dbraw/zinc/68/62/33/335686233.db2.gz GBSDTPWGTYESSR-UHFFFAOYSA-N -1 3 312.348 3.545 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc([O-])c1F ZINC000535659725 335710792 /nfs/dbraw/zinc/71/07/92/335710792.db2.gz UHIZHFZSJVEASL-XUJVJEKNSA-N -1 3 309.381 3.844 20 0 DHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000350000496 335717013 /nfs/dbraw/zinc/71/70/13/335717013.db2.gz CAMLASTWMGWPPQ-AWEZNQCLSA-N -1 3 318.442 3.641 20 0 DHADHM [O-]c1cncc(/C=C/c2nc(-c3coc4ccccc34)no2)c1 ZINC000445554801 338499525 /nfs/dbraw/zinc/49/95/25/338499525.db2.gz WUPZSNQVQRXMJV-AATRIKPKSA-N -1 3 305.293 3.754 20 0 DHADHM CSc1cccnc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000445610460 338502402 /nfs/dbraw/zinc/50/24/02/338502402.db2.gz NFXDUDYIUBIJBV-UHFFFAOYSA-N -1 3 313.382 3.843 20 0 DHADHM Cc1ccc2nc([N-]C(=O)c3ncc(F)cc3F)sc2c1 ZINC000192047969 336016876 /nfs/dbraw/zinc/01/68/76/336016876.db2.gz AAFLLASXIOUKNF-UHFFFAOYSA-N -1 3 305.309 3.530 20 0 DHADHM CCO[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000351395621 336031169 /nfs/dbraw/zinc/03/11/69/336031169.db2.gz JOCACHCBOXSEMW-INIZCTEOSA-N -1 3 319.788 3.553 20 0 DHADHM CCn1c(=O)[n-]nc1SCc1cc(Cl)cc(Cl)c1 ZINC000351576723 336046592 /nfs/dbraw/zinc/04/65/92/336046592.db2.gz XNOGQOZRSLMDMG-UHFFFAOYSA-N -1 3 304.202 3.603 20 0 DHADHM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000351709778 336061239 /nfs/dbraw/zinc/06/12/39/336061239.db2.gz KFSGZCUMOKYFEV-UHFFFAOYSA-N -1 3 320.414 3.599 20 0 DHADHM CCC(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000351846060 336073256 /nfs/dbraw/zinc/07/32/56/336073256.db2.gz ZLSLRFKYYJRJCC-UHFFFAOYSA-N -1 3 306.312 3.631 20 0 DHADHM C[C@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)c2c([O-])cccc21 ZINC000329825039 336086598 /nfs/dbraw/zinc/08/65/98/336086598.db2.gz IBSNXWNURCZJPJ-QWHCGFSZSA-N -1 3 316.401 3.522 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000331463707 336136820 /nfs/dbraw/zinc/13/68/20/336136820.db2.gz QNLDQPXHMKIFMJ-UHFFFAOYSA-N -1 3 305.403 3.815 20 0 DHADHM COc1ccc(NC(=O)[C@@]2(C)CCCc3ccccc32)c([O-])c1 ZINC000332369167 336169895 /nfs/dbraw/zinc/16/98/95/336169895.db2.gz QKSKYEFUHLFERH-IBGZPJMESA-N -1 3 311.381 3.634 20 0 DHADHM CN(C(=O)c1ccc2n[n-]nc2c1)C1CCC(C(C)(C)C)CC1 ZINC000332692068 336179174 /nfs/dbraw/zinc/17/91/74/336179174.db2.gz QYMINJTUPXKOHE-UHFFFAOYSA-N -1 3 314.433 3.635 20 0 DHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1Cl ZINC000351925784 336179179 /nfs/dbraw/zinc/17/91/79/336179179.db2.gz GQYDSEXTWFFXHN-CQSZACIVSA-N -1 3 313.806 3.609 20 0 DHADHM O=c1cc(C=Cc2c[nH]nc2-c2ccccc2F)nc(C2CC2)[n-]1 ZINC000352004530 336188054 /nfs/dbraw/zinc/18/80/54/336188054.db2.gz AIGSIVLELJZJTE-BQYQJAHWSA-N -1 3 322.343 3.759 20 0 DHADHM Cc1nc(C)c(NC(=O)c2cc([O-])ccc2C(F)(F)F)s1 ZINC000352059929 336192462 /nfs/dbraw/zinc/19/24/62/336192462.db2.gz SAOOMIUIAPOBOX-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000352105464 336195104 /nfs/dbraw/zinc/19/51/04/336195104.db2.gz HQBFAKUGEOAKQV-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM O=C(C[C@@H](c1cccs1)n1cccc1)Nc1ccccc1[O-] ZINC000352184582 336200310 /nfs/dbraw/zinc/20/03/10/336200310.db2.gz SXICGVATVNXFLK-AWEZNQCLSA-N -1 3 312.394 3.873 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)[N-]c2cnns2)c2ccccc21 ZINC000333298677 336201414 /nfs/dbraw/zinc/20/14/14/336201414.db2.gz BYCLTWCQNBMXOG-LLVKDONJSA-N -1 3 302.403 3.720 20 0 DHADHM [O-]c1c(-c2nc(CC3CC(F)(F)C3)no2)ccc2c1CCCC2 ZINC000333669337 336207917 /nfs/dbraw/zinc/20/79/17/336207917.db2.gz INWUBNZZKZQEJK-UHFFFAOYSA-N -1 3 320.339 3.909 20 0 DHADHM Cc1c([N-]C(=O)[C@H]2CCC(C)(C)O2)onc1C1CCCCC1 ZINC000333840380 336210756 /nfs/dbraw/zinc/21/07/56/336210756.db2.gz NJCWPRITWNBFHQ-CYBMUJFWSA-N -1 3 306.406 3.927 20 0 DHADHM Cc1ccc([O-])c(CN(C)CCCOc2cccc(Cl)c2)n1 ZINC000352302700 336211046 /nfs/dbraw/zinc/21/10/46/336211046.db2.gz NLEADLWNFVNEKD-UHFFFAOYSA-N -1 3 320.820 3.650 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NCc1coc2ccccc12 ZINC000352398592 336216102 /nfs/dbraw/zinc/21/61/02/336216102.db2.gz DGOSGMOLHILXBE-UHFFFAOYSA-N -1 3 315.756 3.651 20 0 DHADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000042258733 336238068 /nfs/dbraw/zinc/23/80/68/336238068.db2.gz HQOYUIUKNQNHSG-JTQLQIEISA-N -1 3 320.186 3.646 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000123720533 336264377 /nfs/dbraw/zinc/26/43/77/336264377.db2.gz WOZIEXSMAHFUSC-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM [O-]c1ccc(Br)c(CNC2(c3ccccc3)CC2)c1 ZINC000532707661 336267691 /nfs/dbraw/zinc/26/76/91/336267691.db2.gz QZDDFOHHPYFOIQ-UHFFFAOYSA-N -1 3 318.214 3.934 20 0 DHADHM O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[O-] ZINC000532840859 336272805 /nfs/dbraw/zinc/27/28/05/336272805.db2.gz ZXUFCZNOFVZCLA-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC[C@H](C)CC3)nc2)n1 ZINC000301171358 336293293 /nfs/dbraw/zinc/29/32/93/336293293.db2.gz GORXVKIKRPNMDB-NNUKFRKNSA-N -1 3 312.417 3.797 20 0 DHADHM COc1cccc(-c2noc([N-]Cc3ccc(C)s3)n2)c1 ZINC000301385753 336303844 /nfs/dbraw/zinc/30/38/44/336303844.db2.gz WYVPXJGQUYRKGH-UHFFFAOYSA-N -1 3 301.371 3.727 20 0 DHADHM Cc1cc(C(=O)N2CCSC[C@H]2c2ccccc2)ccc1[O-] ZINC000354415997 336470001 /nfs/dbraw/zinc/47/00/01/336470001.db2.gz ZPTINZLBSIPCBC-INIZCTEOSA-N -1 3 313.422 3.631 20 0 DHADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc([O-])cc1F ZINC000354645110 336477565 /nfs/dbraw/zinc/47/75/65/336477565.db2.gz KUJUHNYZZVPHTF-GFCCVEGCSA-N -1 3 312.344 3.761 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c(c1)CCCCC2=O ZINC000354891202 336486776 /nfs/dbraw/zinc/48/67/76/336486776.db2.gz YUFKJYGUICNSBD-UHFFFAOYSA-N -1 3 313.328 3.693 20 0 DHADHM CC[C@H](CSC)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355533814 336513350 /nfs/dbraw/zinc/51/33/50/336513350.db2.gz RZRGXBWOQFOUCQ-CQSZACIVSA-N -1 3 303.427 3.759 20 0 DHADHM CCN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(F)(F)F ZINC000356051657 336533723 /nfs/dbraw/zinc/53/37/23/336533723.db2.gz GNGNFKQRFSJSSQ-UHFFFAOYSA-N -1 3 301.230 3.795 20 0 DHADHM CC1CCC(OCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CC1 ZINC000356781311 336560813 /nfs/dbraw/zinc/56/08/13/336560813.db2.gz AIIHXQRMYDWDBH-SHARSMKWSA-N -1 3 317.429 3.828 20 0 DHADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc([O-])c1 ZINC000357466855 336586269 /nfs/dbraw/zinc/58/62/69/336586269.db2.gz AKQFBLOVIUTVJM-KRWDZBQOSA-N -1 3 311.356 3.897 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1 ZINC000359083328 336656898 /nfs/dbraw/zinc/65/68/98/336656898.db2.gz DNFNUFBNOYGUCX-UHFFFAOYSA-N -1 3 317.410 3.682 20 0 DHADHM Cc1noc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1C ZINC000359368279 336669665 /nfs/dbraw/zinc/66/96/65/336669665.db2.gz ZRFYYPDSMOYTLG-UHFFFAOYSA-N -1 3 317.732 3.852 20 0 DHADHM CC[C@H](C)CSCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1 ZINC000362406009 336796020 /nfs/dbraw/zinc/79/60/20/336796020.db2.gz NACCIIFIMXKQQE-QMMMGPOBSA-N -1 3 324.471 3.775 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@H]1CCN(c2ccccc2Cl)C1 ZINC000367687005 336828032 /nfs/dbraw/zinc/82/80/32/336828032.db2.gz MSUWBAYFHXRKPT-LBPRGKRZSA-N -1 3 316.788 3.511 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3cnco3)c2)ccc1[O-] ZINC000368256740 336841314 /nfs/dbraw/zinc/84/13/14/336841314.db2.gz AZXWHEIULDBRGR-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM [O-]c1ccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)cc1 ZINC000369478880 336865636 /nfs/dbraw/zinc/86/56/36/336865636.db2.gz OOZNHJUPLMMKNZ-CYBMUJFWSA-N -1 3 308.337 3.551 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000371981115 336918351 /nfs/dbraw/zinc/91/83/51/336918351.db2.gz VGPCVDLZEQBXKW-CQSZACIVSA-N -1 3 316.376 3.627 20 0 DHADHM Cc1cnc([C@H]2CCCCN2C(=O)c2ccccc2[O-])s1 ZINC000373166882 336950407 /nfs/dbraw/zinc/95/04/07/336950407.db2.gz OSTGTQBBROVMMA-CYBMUJFWSA-N -1 3 302.399 3.525 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1cccnc1 ZINC000376078021 337026512 /nfs/dbraw/zinc/02/65/12/337026512.db2.gz CUJPJMFRWNFQRV-GOSISDBHSA-N -1 3 318.376 3.918 20 0 DHADHM Cc1ccccc1-c1nc(C(=O)[N-]c2ccncc2F)cs1 ZINC000122946372 337030802 /nfs/dbraw/zinc/03/08/02/337030802.db2.gz KLDKKDWIURJGPL-UHFFFAOYSA-N -1 3 313.357 3.905 20 0 DHADHM C[C@H](c1ccc2ccccc2c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377490149 337053614 /nfs/dbraw/zinc/05/36/14/337053614.db2.gz KTEHOEOYLBUTAZ-DYVFJYSZSA-N -1 3 322.412 3.604 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(F)c(F)cc3F)n[n-]2)o1 ZINC000171534445 337087868 /nfs/dbraw/zinc/08/78/68/337087868.db2.gz XZMSYCVNCGYAMP-UHFFFAOYSA-N -1 3 321.258 3.648 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(F)c(F)cc3F)[n-]n2)o1 ZINC000171534445 337087869 /nfs/dbraw/zinc/08/78/69/337087869.db2.gz XZMSYCVNCGYAMP-UHFFFAOYSA-N -1 3 321.258 3.648 20 0 DHADHM CCc1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)sc1C ZINC000177560100 337157841 /nfs/dbraw/zinc/15/78/41/337157841.db2.gz KHCUKKAWHVJFHW-UHFFFAOYSA-N -1 3 318.295 3.823 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1n[n-]c(-c3ccccn3)n1)CC2 ZINC000178522273 337163521 /nfs/dbraw/zinc/16/35/21/337163521.db2.gz WEDLFDLLGKMOTF-CQSZACIVSA-N -1 3 312.373 3.785 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000181923456 337185349 /nfs/dbraw/zinc/18/53/49/337185349.db2.gz ZXSUDMMKQKTESO-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000181957321 337185379 /nfs/dbraw/zinc/18/53/79/337185379.db2.gz DVJTXVHLMQDAMJ-PXAZEXFGSA-N -1 3 311.381 3.913 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000182206192 337187384 /nfs/dbraw/zinc/18/73/84/337187384.db2.gz JOAWARJKLNULKJ-OAHLLOKOSA-N -1 3 315.800 3.893 20 0 DHADHM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cccc([O-])c1 ZINC000182235140 337187602 /nfs/dbraw/zinc/18/76/02/337187602.db2.gz TXQLZNMROFXVBS-UHFFFAOYSA-N -1 3 322.242 3.805 20 0 DHADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1OCC(F)F ZINC000182300227 337187864 /nfs/dbraw/zinc/18/78/64/337187864.db2.gz DBGIIKXOOKNZHO-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccc([O-])c1 ZINC000182276605 337187913 /nfs/dbraw/zinc/18/79/13/337187913.db2.gz QVZJDAZHXIBHTG-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM O=C(Nc1cccc(Oc2ccccn2)c1)c1cccc([O-])c1 ZINC000182531298 337188852 /nfs/dbraw/zinc/18/88/52/337188852.db2.gz QZXJRSVNEZZRAE-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM CCc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1C ZINC000183198663 337190277 /nfs/dbraw/zinc/19/02/77/337190277.db2.gz WSCQQTBILHZOQY-UHFFFAOYSA-N -1 3 306.365 3.651 20 0 DHADHM CCc1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1C ZINC000183198663 337190278 /nfs/dbraw/zinc/19/02/78/337190278.db2.gz WSCQQTBILHZOQY-UHFFFAOYSA-N -1 3 306.365 3.651 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000183073636 337191325 /nfs/dbraw/zinc/19/13/25/337191325.db2.gz GMFMRVHHDXCIHT-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000183258059 337192591 /nfs/dbraw/zinc/19/25/91/337192591.db2.gz PEBUZLGIZNPULJ-PWSUYJOCSA-N -1 3 307.271 3.552 20 0 DHADHM CCn1cc(CC(=O)Nc2ccc([O-])cc2F)c2ccccc21 ZINC000183283748 337192685 /nfs/dbraw/zinc/19/26/85/337192685.db2.gz NWSIEPBXIQPFAR-UHFFFAOYSA-N -1 3 312.344 3.687 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@@](=O)c1cccc([O-])c1 ZINC000184031212 337194664 /nfs/dbraw/zinc/19/46/64/337194664.db2.gz VMUAYNQKBGPKCZ-AMXDTQDGSA-N -1 3 313.378 3.916 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@](=O)c1cccc([O-])c1 ZINC000184031264 337194718 /nfs/dbraw/zinc/19/47/18/337194718.db2.gz VMUAYNQKBGPKCZ-YTEVENLXSA-N -1 3 313.378 3.916 20 0 DHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c2cccnc12 ZINC000397063801 337245744 /nfs/dbraw/zinc/24/57/44/337245744.db2.gz ZPHXTLZIBFJSDJ-AAEUAGOBSA-N -1 3 318.804 3.573 20 0 DHADHM CCOc1cc(CN2CCC[C@@](C)(F)C2)cc(Cl)c1[O-] ZINC000459578013 337252582 /nfs/dbraw/zinc/25/25/82/337252582.db2.gz XKJFMIDBWJNRHJ-OAHLLOKOSA-N -1 3 301.789 3.768 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000186184227 337254328 /nfs/dbraw/zinc/25/43/28/337254328.db2.gz QSNGOPQHRKEJRH-KRWDZBQOSA-N -1 3 321.779 3.758 20 0 DHADHM O=C(Nc1ccc(Cl)c(F)c1)c1n[n-]nc1-c1ccccc1 ZINC000188656516 337274893 /nfs/dbraw/zinc/27/48/93/337274893.db2.gz MFXDMRIOFQBDIR-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188851822 337275748 /nfs/dbraw/zinc/27/57/48/337275748.db2.gz TVMXIUBUXWJKHV-NXEZZACHSA-N -1 3 301.308 3.529 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000584449100 337339264 /nfs/dbraw/zinc/33/92/64/337339264.db2.gz CUMVQWSHSQWPNW-CQSZACIVSA-N -1 3 320.396 3.748 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000584449100 337339265 /nfs/dbraw/zinc/33/92/65/337339265.db2.gz CUMVQWSHSQWPNW-CQSZACIVSA-N -1 3 320.396 3.748 20 0 DHADHM CC(C)(C)[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000584449100 337339266 /nfs/dbraw/zinc/33/92/66/337339266.db2.gz CUMVQWSHSQWPNW-CQSZACIVSA-N -1 3 320.396 3.748 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000219057675 337343889 /nfs/dbraw/zinc/34/38/89/337343889.db2.gz BIUNFGBAXWTIPR-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000038379338 337396075 /nfs/dbraw/zinc/39/60/75/337396075.db2.gz LDEWEZFISCQZKT-GFCCVEGCSA-N -1 3 319.364 3.520 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2ccc([O-])cc2F)c1C1CC1 ZINC000124516198 337405882 /nfs/dbraw/zinc/40/58/82/337405882.db2.gz JQIKVXSNPRANNT-JTQLQIEISA-N -1 3 317.364 3.829 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000425148729 337425682 /nfs/dbraw/zinc/42/56/82/337425682.db2.gz OTSLAJQJTWSNMZ-JKSUJKDBSA-N -1 3 319.420 3.939 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000133037634 337444263 /nfs/dbraw/zinc/44/42/63/337444263.db2.gz YRBKQXAQQRDRLV-UHFFFAOYSA-N -1 3 324.409 3.550 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188763302 337444714 /nfs/dbraw/zinc/44/47/14/337444714.db2.gz ZAQNFATZNDOEET-UHFFFAOYSA-N -1 3 320.396 3.872 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc(Br)o1 ZINC000061120163 337459403 /nfs/dbraw/zinc/45/94/03/337459403.db2.gz BAVNFVSYMBSWPZ-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM CCOc1cc(CNCc2ccccc2OC)cc(Cl)c1[O-] ZINC000076275324 337566923 /nfs/dbraw/zinc/56/69/23/337566923.db2.gz MAJJMYISIWWTOL-UHFFFAOYSA-N -1 3 321.804 3.743 20 0 DHADHM O=S(=O)(CCC1CCCC1)[N-]c1cccc2ncccc12 ZINC000572108693 337591094 /nfs/dbraw/zinc/59/10/94/337591094.db2.gz VFNUOGPLXLNCOH-UHFFFAOYSA-N -1 3 304.415 3.557 20 0 DHADHM CCC(CC)(CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000263100369 337624362 /nfs/dbraw/zinc/62/43/62/337624362.db2.gz WOBUPWGXDDGEAH-UHFFFAOYSA-N -1 3 324.471 3.852 20 0 DHADHM CCOc1cc(-c2noc([C@H]3Cc4ccccc43)n2)ccc1[O-] ZINC000445415186 337683080 /nfs/dbraw/zinc/68/30/80/337683080.db2.gz ASDSTEIIEQAPTO-AWEZNQCLSA-N -1 3 308.337 3.529 20 0 DHADHM CCOc1cc(-c2noc(/C=C/c3cncc(C)c3)n2)ccc1[O-] ZINC000445426260 337726730 /nfs/dbraw/zinc/72/67/30/337726730.db2.gz IRSQUPMTYZSJRX-QPJJXVBHSA-N -1 3 323.352 3.715 20 0 DHADHM CCOc1cc(-c2noc([C@@H](C)OCCC(C)C)n2)ccc1[O-] ZINC000445429107 337728737 /nfs/dbraw/zinc/72/87/37/337728737.db2.gz YFIIMBAETZLKGH-GFCCVEGCSA-N -1 3 320.389 3.965 20 0 DHADHM CCOc1cc(-c2noc(/C=C/c3ccc(C)cn3)n2)ccc1[O-] ZINC000445430179 337730518 /nfs/dbraw/zinc/73/05/18/337730518.db2.gz IBRVRIMEBDSSCY-VQHVLOKHSA-N -1 3 323.352 3.715 20 0 DHADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000527474316 337743522 /nfs/dbraw/zinc/74/35/22/337743522.db2.gz MUPYDLCKUDRWLQ-ZIAGYGMSSA-N -1 3 311.381 3.594 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3[C@H](C)[C@@H]3C3CC3)n2)ccc1[O-] ZINC000528165510 337791132 /nfs/dbraw/zinc/79/11/32/337791132.db2.gz ICPOJQVCXROJCI-DFKRKDTASA-N -1 3 300.358 3.600 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)o1 ZINC000536893737 337845199 /nfs/dbraw/zinc/84/51/99/337845199.db2.gz PRNGNTCUFNLKBU-MRXNPFEDSA-N -1 3 307.415 3.572 20 0 DHADHM O=C(Nc1ccccc1[O-])c1c[nH]nc1-c1ccccc1Cl ZINC000088281120 337860096 /nfs/dbraw/zinc/86/00/96/337860096.db2.gz SVGLXWALOPRVAJ-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM COc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1OC ZINC000122514459 337920091 /nfs/dbraw/zinc/92/00/91/337920091.db2.gz WGVNEYXELTVADM-RMKNXTFCSA-N -1 3 324.336 3.630 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2cccs2)n1 ZINC000424616129 337920319 /nfs/dbraw/zinc/92/03/19/337920319.db2.gz FTZKBYPOLWYBRH-MFKMUULPSA-N -1 3 324.471 3.707 20 0 DHADHM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000122590178 337922772 /nfs/dbraw/zinc/92/27/72/337922772.db2.gz NFBUTWBVESCGPE-UHFFFAOYSA-N -1 3 313.397 3.917 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1 ZINC000515902847 338000370 /nfs/dbraw/zinc/00/03/70/338000370.db2.gz MVJBDJUPKCJZMW-QWHCGFSZSA-N -1 3 305.418 3.688 20 0 DHADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccccc1C ZINC000084438358 338002441 /nfs/dbraw/zinc/00/24/41/338002441.db2.gz VHRHJEBTHUSDEZ-UHFFFAOYSA-N -1 3 303.427 3.921 20 0 DHADHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc([O-])c1 ZINC000084831134 338005254 /nfs/dbraw/zinc/00/52/54/338005254.db2.gz XQYBZJSFHFGBPW-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM Cc1cscc1[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000516297597 338010065 /nfs/dbraw/zinc/01/00/65/338010065.db2.gz HBDRQOQGHZTZTG-UHFFFAOYSA-N -1 3 321.467 3.603 20 0 DHADHM C[C@@H]1CCN(Cc2cc([O-])ccc2Br)CC1(F)F ZINC000426390185 338030068 /nfs/dbraw/zinc/03/00/68/338030068.db2.gz IAMPLYNTOZOAMF-SECBINFHSA-N -1 3 320.177 3.632 20 0 DHADHM CC[C@H](CNCc1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000426625776 338036312 /nfs/dbraw/zinc/03/63/12/338036312.db2.gz NXHTYNPFRVOIND-VIFPVBQESA-N -1 3 323.742 3.949 20 0 DHADHM COc1c(Cl)cc(Cl)cc1CNC[C@H](C)CCC(=O)[O-] ZINC000426663285 338037390 /nfs/dbraw/zinc/03/73/90/338037390.db2.gz KHAWOUWRUVDQEZ-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM O=C([O-])CC1(CNCc2csc(-c3ccccc3)n2)CCC1 ZINC000426666163 338037522 /nfs/dbraw/zinc/03/75/22/338037522.db2.gz OPJACARYYCYEMP-UHFFFAOYSA-N -1 3 316.426 3.545 20 0 DHADHM C[C@@H](CCNCc1ccc(-c2cccc(F)c2F)o1)CC(=O)[O-] ZINC000426673741 338037768 /nfs/dbraw/zinc/03/77/68/338037768.db2.gz GRKSTRKAJAZNMB-NSHDSACASA-N -1 3 323.339 3.815 20 0 DHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1Cl ZINC000426676525 338037853 /nfs/dbraw/zinc/03/78/53/338037853.db2.gz DDXPEHCJEQKGHW-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM Cc1ccc2cc(CNCc3ccc(C(=O)[O-])cc3)ccc2n1 ZINC000426683314 338037938 /nfs/dbraw/zinc/03/79/38/338037938.db2.gz QVDYKCDRUZWXBL-UHFFFAOYSA-N -1 3 306.365 3.531 20 0 DHADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000426680567 338037946 /nfs/dbraw/zinc/03/79/46/338037946.db2.gz OVICJIBLUNAOBT-HNNXBMFYSA-N -1 3 324.207 3.779 20 0 DHADHM O=C([O-])C[C@H](NCc1cccc2cccnc21)c1ccsc1 ZINC000426695177 338038311 /nfs/dbraw/zinc/03/83/11/338038311.db2.gz MEIRCGPENIOSEA-HNNXBMFYSA-N -1 3 312.394 3.602 20 0 DHADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)cc2cccnc12 ZINC000426700967 338038521 /nfs/dbraw/zinc/03/85/21/338038521.db2.gz WOYGWINJTZBJIP-UHFFFAOYSA-N -1 3 306.365 3.531 20 0 DHADHM CCc1ccc(CNC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000426705849 338038620 /nfs/dbraw/zinc/03/86/20/338038620.db2.gz QHAALOSUVSSLNA-ZDUSSCGKSA-N -1 3 321.804 3.529 20 0 DHADHM CCc1ccc(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000426705848 338038662 /nfs/dbraw/zinc/03/86/62/338038662.db2.gz QHAALOSUVSSLNA-CYBMUJFWSA-N -1 3 321.804 3.529 20 0 DHADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000426720397 338039261 /nfs/dbraw/zinc/03/92/61/338039261.db2.gz MPTNZFXBAOYSCD-QGZVFWFLSA-N -1 3 315.438 3.941 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000426726108 338039482 /nfs/dbraw/zinc/03/94/82/338039482.db2.gz HEMRAGNZNAYKNG-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000426727945 338039484 /nfs/dbraw/zinc/03/94/84/338039484.db2.gz RNASYPDUALWCQO-INIZCTEOSA-N -1 3 314.772 3.737 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc(C)c2)cc1 ZINC000426728800 338039530 /nfs/dbraw/zinc/03/95/30/338039530.db2.gz XLZDOGNWOWJGMB-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM COc1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000426741843 338040219 /nfs/dbraw/zinc/04/02/19/338040219.db2.gz HJEKNTNHTIOPHV-CQSZACIVSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426743047 338040290 /nfs/dbraw/zinc/04/02/90/338040290.db2.gz MPEKIYZCYWHHQA-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000426749566 338040596 /nfs/dbraw/zinc/04/05/96/338040596.db2.gz GUUQSGPLBSAGLQ-QAPCUYQASA-N -1 3 315.369 3.805 20 0 DHADHM CC(C)(C)CC[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426749397 338040620 /nfs/dbraw/zinc/04/06/20/338040620.db2.gz FQOJCRWYANWCGH-GFCCVEGCSA-N -1 3 301.789 3.848 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1coc2ccccc12)c1ccccc1 ZINC000426755281 338040861 /nfs/dbraw/zinc/04/08/61/338040861.db2.gz YAEUUKHGKNYOQQ-ACJLOTCBSA-N -1 3 309.365 3.984 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCCCC[C@H]2C(=O)[O-])cs1 ZINC000426758671 338041062 /nfs/dbraw/zinc/04/10/62/338041062.db2.gz JAKBPZDHWLXLKB-ZIAGYGMSSA-N -1 3 324.490 3.954 20 0 DHADHM CCCSC[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000426761412 338041169 /nfs/dbraw/zinc/04/11/69/338041169.db2.gz AMGHLQRLBXKSBI-LBPRGKRZSA-N -1 3 322.257 3.679 20 0 DHADHM Cn1c2cccc(F)c2nc1-c1cc([O-])ccc1Br ZINC000431193365 338125524 /nfs/dbraw/zinc/12/55/24/338125524.db2.gz PACXTBNAQJPOOE-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM CN(CCCOc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000431906271 338141500 /nfs/dbraw/zinc/14/15/00/338141500.db2.gz FRSWRFITXCRGIX-UHFFFAOYSA-N -1 3 319.788 3.587 20 0 DHADHM C[C@H]1CC2(CCC2)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000432600993 338160330 /nfs/dbraw/zinc/16/03/30/338160330.db2.gz KSZDNOSCPSQCSO-ZDUSSCGKSA-N -1 3 305.393 3.645 20 0 DHADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000435642268 338244121 /nfs/dbraw/zinc/24/41/21/338244121.db2.gz SMSKLQZXVWULED-QMTHXVAHSA-N -1 3 309.818 3.570 20 0 DHADHM CCc1occc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000435798006 338248041 /nfs/dbraw/zinc/24/80/41/338248041.db2.gz GTYPUHORDTXFKY-UHFFFAOYSA-N -1 3 310.147 3.562 20 0 DHADHM Cc1cc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)ccc1[O-] ZINC000435957652 338254204 /nfs/dbraw/zinc/25/42/04/338254204.db2.gz KCWPBSRJUNYHIF-IBGZPJMESA-N -1 3 313.372 3.644 20 0 DHADHM Fc1cc(Cl)ccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000436054783 338256864 /nfs/dbraw/zinc/25/68/64/338256864.db2.gz SHLBWYZZSPLTRO-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM CC[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436370031 338269841 /nfs/dbraw/zinc/26/98/41/338269841.db2.gz VMUSAGASTAAWNL-KRWDZBQOSA-N -1 3 323.392 3.638 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000436480064 338273723 /nfs/dbraw/zinc/27/37/23/338273723.db2.gz UZDZVHJPTFCXTG-UHFFFAOYSA-N -1 3 303.383 3.529 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c([O-])c1 ZINC000436511039 338274629 /nfs/dbraw/zinc/27/46/29/338274629.db2.gz GFSLDHDAQFYOPM-LJQANCHMSA-N -1 3 313.372 3.720 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000436526699 338275190 /nfs/dbraw/zinc/27/51/90/338275190.db2.gz BGAIPXFXKMCQJP-CYBMUJFWSA-N -1 3 322.364 3.847 20 0 DHADHM Cc1cccc(C(=O)N(Cc2ccccc2F)C(C)C)c1[O-] ZINC000436529506 338275412 /nfs/dbraw/zinc/27/54/12/338275412.db2.gz BKTKCWNGGCMKIG-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM COCCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)c1ccccc1 ZINC000436537621 338275993 /nfs/dbraw/zinc/27/59/93/338275993.db2.gz HYZMMLMXRJOIQI-HNNXBMFYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000436551317 338276779 /nfs/dbraw/zinc/27/67/79/338276779.db2.gz NAEJEEIUAOLHEU-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000436556154 338276805 /nfs/dbraw/zinc/27/68/05/338276805.db2.gz PMAJYXIOMQOYGU-CGTJXYLNSA-N -1 3 307.393 3.801 20 0 DHADHM Cc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000436557350 338276835 /nfs/dbraw/zinc/27/68/35/338276835.db2.gz UALITZIXXHUMEE-UHFFFAOYSA-N -1 3 308.381 3.545 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000436558429 338277152 /nfs/dbraw/zinc/27/71/52/338277152.db2.gz XTGRFIYRIYPGSL-KRWDZBQOSA-N -1 3 309.409 3.796 20 0 DHADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436569537 338277613 /nfs/dbraw/zinc/27/76/13/338277613.db2.gz FSVNZKRSQHVANE-AWEZNQCLSA-N -1 3 317.429 3.756 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c([O-])c1C ZINC000436590571 338278736 /nfs/dbraw/zinc/27/87/36/338278736.db2.gz NRQOGGAZRWXAOB-ZDUSSCGKSA-N -1 3 324.424 3.742 20 0 DHADHM CC[C@](C)(NC(=O)c1ccc(C)c(C)c1[O-])c1nc(C)cs1 ZINC000436588845 338278740 /nfs/dbraw/zinc/27/87/40/338278740.db2.gz OHMDIJTXFVSPNO-KRWDZBQOSA-N -1 3 318.442 3.829 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1[O-] ZINC000436593702 338279121 /nfs/dbraw/zinc/27/91/21/338279121.db2.gz DBOBBQWDXAMKRI-UHFFFAOYSA-N -1 3 313.353 3.634 20 0 DHADHM Cc1ccc(C(=O)N2CCOC3(C2)CCCCCC3)c([O-])c1C ZINC000436596828 338279241 /nfs/dbraw/zinc/27/92/41/338279241.db2.gz NUBGUVAAKGUTCZ-UHFFFAOYSA-N -1 3 317.429 3.574 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c1[O-] ZINC000436600136 338279356 /nfs/dbraw/zinc/27/93/56/338279356.db2.gz CYWXGXRRWLOJBE-KRWDZBQOSA-N -1 3 309.409 3.966 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)c([O-])c1 ZINC000436603212 338279394 /nfs/dbraw/zinc/27/93/94/338279394.db2.gz LRJNBURPMDATNN-SFHVURJKSA-N -1 3 310.397 3.792 20 0 DHADHM CCCC1CCC(N(C)C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000436601171 338279526 /nfs/dbraw/zinc/27/95/26/338279526.db2.gz BVAVNELHULPEKI-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1ccc([O-])c(C(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC000436608017 338279738 /nfs/dbraw/zinc/27/97/38/338279738.db2.gz TXOZFHBVZDIXOE-OAHLLOKOSA-N -1 3 313.397 3.598 20 0 DHADHM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1(F)F ZINC000436609074 338279804 /nfs/dbraw/zinc/27/98/04/338279804.db2.gz HWKXKMKDGBQHLG-OQPBUACISA-N -1 3 302.280 3.964 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccnc3)n2)c2ccccc12 ZINC000436614016 338279916 /nfs/dbraw/zinc/27/99/16/338279916.db2.gz UEPILCRPIGGBPA-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cscn3)n2)c2ccccc12 ZINC000436612700 338280031 /nfs/dbraw/zinc/28/00/31/338280031.db2.gz NIOCLVDVRORPKK-UHFFFAOYSA-N -1 3 323.377 3.837 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436624477 338280401 /nfs/dbraw/zinc/28/04/01/338280401.db2.gz BMVXCHZWZDTMTA-INIZCTEOSA-N -1 3 311.381 3.517 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)CCc2ccco2)c([O-])c1 ZINC000436623961 338280512 /nfs/dbraw/zinc/28/05/12/338280512.db2.gz JNQUXOXPDLOWSB-ZDUSSCGKSA-N -1 3 301.386 3.860 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000436627528 338280637 /nfs/dbraw/zinc/28/06/37/338280637.db2.gz UDIPNVRYVMYNLW-UHFFFAOYSA-N -1 3 301.361 3.927 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(SC)c2C)c1[O-] ZINC000436633463 338280725 /nfs/dbraw/zinc/28/07/25/338280725.db2.gz ZIJZHKWQHKHJMA-UHFFFAOYSA-N -1 3 317.410 3.992 20 0 DHADHM COc1cc(/C=C/c2nc(-c3ccc([O-])cc3)no2)ccc1F ZINC000436639569 338281064 /nfs/dbraw/zinc/28/10/64/338281064.db2.gz DJCMYTMLXVTVSL-YCRREMRBSA-N -1 3 312.300 3.760 20 0 DHADHM Cc1ncn(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)c1C ZINC000436643099 338281094 /nfs/dbraw/zinc/28/10/94/338281094.db2.gz VYUDRPXSZNLUIM-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCCn1ccc2ccc(NC(=O)c3c([O-])cccc3O)cc21 ZINC000436646479 338281354 /nfs/dbraw/zinc/28/13/54/338281354.db2.gz GWWDWZSPIFOBNP-UHFFFAOYSA-N -1 3 310.353 3.715 20 0 DHADHM CC[C@H](C)Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436649583 338281421 /nfs/dbraw/zinc/28/14/21/338281421.db2.gz VMQHPBAHOMTNNO-NSHDSACASA-N -1 3 301.342 3.527 20 0 DHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1c([O-])cccc1O ZINC000436651153 338281481 /nfs/dbraw/zinc/28/14/81/338281481.db2.gz ZURVXLQQXRYWNS-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM COc1cccc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c1[O-] ZINC000436667872 338282182 /nfs/dbraw/zinc/28/21/82/338282182.db2.gz YTMPJWJVNAZKSL-CQSZACIVSA-N -1 3 317.429 3.833 20 0 DHADHM CCc1cc(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)ccc1[O-] ZINC000436674649 338282394 /nfs/dbraw/zinc/28/23/94/338282394.db2.gz WCNGCNQUKLXRPR-AEFFLSMTSA-N -1 3 319.445 3.668 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nc(-c3ccccc3)co2)c1[O-] ZINC000436687655 338282811 /nfs/dbraw/zinc/28/28/11/338282811.db2.gz MCOKPWOEFLOQMX-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccccc1[O-])[C@@H]2C ZINC000436705184 338283449 /nfs/dbraw/zinc/28/34/49/338283449.db2.gz OGJRYGKCOVJOAO-QWHCGFSZSA-N -1 3 311.381 3.549 20 0 DHADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436708046 338283543 /nfs/dbraw/zinc/28/35/43/338283543.db2.gz VZDSPIQQZNLORL-GJZGRUSLSA-N -1 3 307.459 3.749 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)ccc1[O-] ZINC000436704945 338283563 /nfs/dbraw/zinc/28/35/63/338283563.db2.gz IGVAARDYRKZVOR-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM Cc1ccc(-c2nc(CNC(=O)c3cc(C)ccc3[O-])co2)cc1 ZINC000436720783 338283960 /nfs/dbraw/zinc/28/39/60/338283960.db2.gz FLHJIDKUIZMGIJ-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(C3CCC3)cn2)c1[O-] ZINC000436729120 338284403 /nfs/dbraw/zinc/28/44/03/338284403.db2.gz FQQGZQTXLKNGET-UHFFFAOYSA-N -1 3 312.369 3.624 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c([O-])c1C ZINC000436750268 338285311 /nfs/dbraw/zinc/28/53/11/338285311.db2.gz MQANXDPHUMEWFO-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1cccc(C(=O)N(C)CCOc2ccccc2Cl)c1[O-] ZINC000436756380 338285729 /nfs/dbraw/zinc/28/57/29/338285729.db2.gz CSTSTXMMWAICNM-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCc2ccccc21 ZINC000436758502 338286075 /nfs/dbraw/zinc/28/60/75/338286075.db2.gz ZGNWVAMDPAAROL-UHFFFAOYSA-N -1 3 307.393 3.864 20 0 DHADHM CCO[C@H](Cc1nc(-c2ccc([O-])cc2)no1)C1=CCCC1 ZINC000436762730 338286228 /nfs/dbraw/zinc/28/62/28/338286228.db2.gz UFAMLZPTYJRDKJ-OAHLLOKOSA-N -1 3 300.358 3.500 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])CCO1 ZINC000436764607 338286433 /nfs/dbraw/zinc/28/64/33/338286433.db2.gz MNLSPXMBJAUAFJ-HNNXBMFYSA-N -1 3 319.445 3.890 20 0 DHADHM CCN(c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cn1)C(C)C ZINC000436769991 338286667 /nfs/dbraw/zinc/28/66/67/338286667.db2.gz PKHCWVBIYHSUKT-UHFFFAOYSA-N -1 3 324.384 3.739 20 0 DHADHM [O-]c1ccc(-c2noc(CCCOc3ccccc3F)n2)cc1 ZINC000436770513 338286757 /nfs/dbraw/zinc/28/67/57/338286757.db2.gz RQFRTKOJTODLND-UHFFFAOYSA-N -1 3 314.316 3.593 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3nc4ccccc4s3)n2)cc1 ZINC000436779811 338287061 /nfs/dbraw/zinc/28/70/61/338287061.db2.gz YVGFZMCTECGRFG-UHFFFAOYSA-N -1 3 323.377 3.837 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)Cc1ccsc1 ZINC000436782184 338287133 /nfs/dbraw/zinc/28/71/33/338287133.db2.gz MGLUMRNUADQEKR-ZDUSSCGKSA-N -1 3 303.427 3.855 20 0 DHADHM CCc1ccsc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436785669 338287301 /nfs/dbraw/zinc/28/73/01/338287301.db2.gz PZKDHIFCWXWQHP-UHFFFAOYSA-N -1 3 302.355 3.742 20 0 DHADHM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436788386 338287419 /nfs/dbraw/zinc/28/74/19/338287419.db2.gz YIOPEDBCBFLHGX-UHFFFAOYSA-N -1 3 322.408 3.771 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000436803237 338287904 /nfs/dbraw/zinc/28/79/04/338287904.db2.gz NFIIYKHRZWFKNQ-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)ccc1OC(C)C ZINC000436805827 338287963 /nfs/dbraw/zinc/28/79/63/338287963.db2.gz SZVPFVPJFJTYMR-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c([O-])c1 ZINC000436812711 338288327 /nfs/dbraw/zinc/28/83/27/338288327.db2.gz BSWDFOKLGOJIBM-FQEVSTJZSA-N -1 3 309.409 3.938 20 0 DHADHM COc1cc(-c2noc(-c3ccc(Cl)c(F)c3)n2)ccc1[O-] ZINC000436817298 338288455 /nfs/dbraw/zinc/28/84/55/338288455.db2.gz AGRQZAWIKTVPLQ-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CCc1c(NC(=O)c2cc(C)ccc2[O-])cnn1CCC(C)C ZINC000436821751 338288585 /nfs/dbraw/zinc/28/85/85/338288585.db2.gz YFOSFDUANKTQJV-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccccc1[O-] ZINC000436821142 338288657 /nfs/dbraw/zinc/28/86/57/338288657.db2.gz VBDBTOVJGIWFTJ-CYBMUJFWSA-N -1 3 309.287 3.816 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c([O-])c1 ZINC000436821933 338288662 /nfs/dbraw/zinc/28/86/62/338288662.db2.gz RAFNMUWXSGEVQM-INIZCTEOSA-N -1 3 313.372 3.687 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC2(C1)CCCC2 ZINC000436825702 338288850 /nfs/dbraw/zinc/28/88/50/338288850.db2.gz HPKSGHWOJPEHCJ-UHFFFAOYSA-N -1 3 321.420 3.999 20 0 DHADHM CCc1ccc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)c([O-])c1 ZINC000436833054 338289130 /nfs/dbraw/zinc/28/91/30/338289130.db2.gz KSLINAZTAKIZOM-HNNXBMFYSA-N -1 3 316.426 3.601 20 0 DHADHM CCc1ccc(-c2nc(COc3ccccc3F)no2)c([O-])c1 ZINC000436838234 338289377 /nfs/dbraw/zinc/28/93/77/338289377.db2.gz IYBHWIGVSPWYHK-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3ccc(C)nc3)CC2)c([O-])c1 ZINC000436841657 338289466 /nfs/dbraw/zinc/28/94/66/338289466.db2.gz UHOCLSFRBMQFBL-UHFFFAOYSA-N -1 3 322.408 3.588 20 0 DHADHM COc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)c([O-])c1 ZINC000436840634 338289576 /nfs/dbraw/zinc/28/95/76/338289576.db2.gz QBIJGNYLOOYNRC-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM COc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1Cl ZINC000436849173 338289922 /nfs/dbraw/zinc/28/99/22/338289922.db2.gz DPWPTFSDIBWUDK-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1[O-] ZINC000436858489 338290143 /nfs/dbraw/zinc/29/01/43/338290143.db2.gz FVFYHFZAJTYTBC-CQSZACIVSA-N -1 3 315.394 3.634 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c([O-])c1 ZINC000436878162 338291222 /nfs/dbraw/zinc/29/12/22/338291222.db2.gz ITBIYADGHVEIQR-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM COc1cc(C)cc(-c2nc(CC3(C)CCCC3)no2)c1[O-] ZINC000436883777 338291754 /nfs/dbraw/zinc/29/17/54/338291754.db2.gz CNRZEOXVMFNNSD-UHFFFAOYSA-N -1 3 302.374 3.882 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(Cc3ccccc3)no1)CCCC2 ZINC000436893397 338292347 /nfs/dbraw/zinc/29/23/47/338292347.db2.gz AIBQYKFTIDPGOQ-UHFFFAOYSA-N -1 3 306.365 3.912 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2cccc3cccnc32)no1 ZINC000436893835 338292367 /nfs/dbraw/zinc/29/23/67/338292367.db2.gz CDXQHESVKCKLFE-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM Cc1ccc(C(=O)N2Cc3ccccc3OC(C)(C)C2)c([O-])c1 ZINC000436929719 338294010 /nfs/dbraw/zinc/29/40/10/338294010.db2.gz DIUFMOJMZLYWSB-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc4nccnc4c3)no2)c1 ZINC000436930819 338294109 /nfs/dbraw/zinc/29/41/09/338294109.db2.gz IRPPZHWERHDXNO-UHFFFAOYSA-N -1 3 318.336 3.615 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc4cnn(C)c4c3)no2)c1 ZINC000436931099 338294274 /nfs/dbraw/zinc/29/42/74/338294274.db2.gz JGZRHSLCENYPLB-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM COc1cc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436933165 338294316 /nfs/dbraw/zinc/29/43/16/338294316.db2.gz GROXYZCTRGVDNL-UHFFFAOYSA-N -1 3 303.333 3.717 20 0 DHADHM Cc1cc(C(=O)Nc2cc(-c3ncco3)ccc2C)ccc1[O-] ZINC000436936588 338294340 /nfs/dbraw/zinc/29/43/40/338294340.db2.gz UPMRHOUSEGRERW-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000436940089 338294711 /nfs/dbraw/zinc/29/47/11/338294711.db2.gz UCPUSXALESTXEQ-NSHDSACASA-N -1 3 305.324 3.512 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)ccc1[O-] ZINC000436941027 338294797 /nfs/dbraw/zinc/29/47/97/338294797.db2.gz ZKSPGDRUSKBZIU-NVXWUHKLSA-N -1 3 309.409 3.794 20 0 DHADHM CO[C@@H](c1noc(-c2ccccc2[O-])n1)c1cccc(Cl)c1 ZINC000436941445 338295079 /nfs/dbraw/zinc/29/50/79/338295079.db2.gz QGQIPKQVMVEQTA-CQSZACIVSA-N -1 3 316.744 3.831 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3c(Cl)cnn3C)ccc12 ZINC000436944787 338295225 /nfs/dbraw/zinc/29/52/25/338295225.db2.gz RJSTWYNWLJSRKM-GQCTYLIASA-N -1 3 315.760 3.506 20 0 DHADHM CC(C)(C)Nc1ccc(-c2noc(-c3ccccc3[O-])n2)nc1 ZINC000436957962 338295850 /nfs/dbraw/zinc/29/58/50/338295850.db2.gz YUBJVXJAJVABCS-UHFFFAOYSA-N -1 3 310.357 3.715 20 0 DHADHM CCC(CC)N(CCOC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436961879 338296002 /nfs/dbraw/zinc/29/60/02/338296002.db2.gz VNIKKEDMPAFFPT-UHFFFAOYSA-N -1 3 319.445 3.548 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2cccc(F)c21 ZINC000436979136 338296637 /nfs/dbraw/zinc/29/66/37/338296637.db2.gz XPUTVSUESQBECO-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM COc1cccc2c1CCCN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000436984874 338296809 /nfs/dbraw/zinc/29/68/09/338296809.db2.gz BOSKFJYHFLECMD-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM CCC1(CC)CCC(NC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000436997035 338297094 /nfs/dbraw/zinc/29/70/94/338297094.db2.gz VFLYEXRWQQBEGU-UHFFFAOYSA-N -1 3 305.418 3.880 20 0 DHADHM CC1=CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000437983151 338327349 /nfs/dbraw/zinc/32/73/49/338327349.db2.gz BDPPOFYMOOADHG-UHFFFAOYSA-N -1 3 323.392 3.763 20 0 DHADHM C[C@@H](CSc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156253647 338350064 /nfs/dbraw/zinc/35/00/64/338350064.db2.gz GNHNRGZZHJQQDA-LBPRGKRZSA-N -1 3 319.401 3.576 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000438810686 338352285 /nfs/dbraw/zinc/35/22/85/338352285.db2.gz KMIZQVTXSJXGNB-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)C1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000440121384 338383652 /nfs/dbraw/zinc/38/36/52/338383652.db2.gz ANQQAJKDCJUNKR-UHFFFAOYSA-N -1 3 301.430 3.779 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)c([O-])c1 ZINC000440324586 338385548 /nfs/dbraw/zinc/38/55/48/338385548.db2.gz JYDKQPJVFPJYSF-CYBMUJFWSA-N -1 3 301.411 3.611 20 0 DHADHM O=S(=O)([N-]Cc1ccoc1)c1c(Cl)ccc2ccccc21 ZINC000440380252 338386482 /nfs/dbraw/zinc/38/64/82/338386482.db2.gz JCOQOSUQUIQIDC-UHFFFAOYSA-N -1 3 321.785 3.565 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449583181 338639898 /nfs/dbraw/zinc/63/98/98/338639898.db2.gz HUIYINFWZIPRMT-CYBMUJFWSA-N -1 3 311.278 3.726 20 0 DHADHM Cc1cnc(CCCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000450940347 338713403 /nfs/dbraw/zinc/71/34/03/338713403.db2.gz RISIGDFGUNSMCZ-GFCCVEGCSA-N -1 3 314.385 3.552 20 0 DHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000452187672 338757000 /nfs/dbraw/zinc/75/70/00/338757000.db2.gz MGKGLNWLWQOZEC-LBPRGKRZSA-N -1 3 313.372 3.829 20 0 DHADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000452528362 338770111 /nfs/dbraw/zinc/77/01/11/338770111.db2.gz NSGMQJGULCCRGA-MNOVXSKESA-N -1 3 315.335 3.967 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1[O-] ZINC000195746208 338914924 /nfs/dbraw/zinc/91/49/24/338914924.db2.gz QXMNQTSXGCACEI-HNNXBMFYSA-N -1 3 317.429 3.976 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456372039 338928113 /nfs/dbraw/zinc/92/81/13/338928113.db2.gz HCGBOAYKOJKXLE-ZDUSSCGKSA-N -1 3 322.817 3.870 20 0 DHADHM CCOC[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000458062429 338987288 /nfs/dbraw/zinc/98/72/88/338987288.db2.gz AODOCNZGRIEANS-HNNXBMFYSA-N -1 3 305.418 3.547 20 0 DHADHM CCOc1cc(C(=O)[N-]c2nc(CC)c(C(C)(C)C)s2)on1 ZINC000458275556 338994382 /nfs/dbraw/zinc/99/43/82/338994382.db2.gz OAGCWMHTXWYXBY-UHFFFAOYSA-N -1 3 323.418 3.642 20 0 DHADHM O=C(Nc1ccc(F)c(Br)c1)c1cccc([O-])c1 ZINC000166978667 339053426 /nfs/dbraw/zinc/05/34/26/339053426.db2.gz FPQZYSHMDSWZON-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459282877 339019033 /nfs/dbraw/zinc/01/90/33/339019033.db2.gz RGOAOQYXHKEFFL-LBPRGKRZSA-N -1 3 323.396 3.999 20 0 DHADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459289321 339019562 /nfs/dbraw/zinc/01/95/62/339019562.db2.gz APYUPMVYFRXVFY-NSHDSACASA-N -1 3 317.820 3.906 20 0 DHADHM CCOc1cc(CN(C)Cc2ccc(C)o2)cc(Cl)c1[O-] ZINC000459302484 339020353 /nfs/dbraw/zinc/02/03/53/339020353.db2.gz WYKUNEHMFSOPIQ-UHFFFAOYSA-N -1 3 309.793 3.978 20 0 DHADHM CCOc1cc(CN(C)CCC(F)(F)F)cc(Cl)c1[O-] ZINC000459331408 339022369 /nfs/dbraw/zinc/02/23/69/339022369.db2.gz VWYCTPHXUZTHBD-UHFFFAOYSA-N -1 3 311.731 3.829 20 0 DHADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459394170 339026712 /nfs/dbraw/zinc/02/67/12/339026712.db2.gz ZILBFZFJUSPHDH-OAHLLOKOSA-N -1 3 319.355 3.579 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000459401878 339027191 /nfs/dbraw/zinc/02/71/91/339027191.db2.gz JDTQGJDRNDLULY-QMMMGPOBSA-N -1 3 309.822 3.625 20 0 DHADHM CC(C)C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccs1 ZINC000459413918 339027849 /nfs/dbraw/zinc/02/78/49/339027849.db2.gz YBGSPHCHKUSWND-CQSZACIVSA-N -1 3 317.458 3.998 20 0 DHADHM O=c1cc(CN2CCC(c3ccsc3)CC2)nc(C2CC2)[n-]1 ZINC000459426012 339028472 /nfs/dbraw/zinc/02/84/72/339028472.db2.gz LYHPLJCRGUMVNH-UHFFFAOYSA-N -1 3 315.442 3.501 20 0 DHADHM CCOc1cc(CN2CCC[C@H]2c2ncc[nH]2)cc(Cl)c1[O-] ZINC000459473129 339031205 /nfs/dbraw/zinc/03/12/05/339031205.db2.gz AUFHRNPBCBRKMF-ZDUSSCGKSA-N -1 3 321.808 3.505 20 0 DHADHM CCOc1cc(CN2CCSCC[C@@H]2C)cc(Cl)c1[O-] ZINC000459515062 339033485 /nfs/dbraw/zinc/03/34/85/339033485.db2.gz GMLINVXIEPZXSX-NSHDSACASA-N -1 3 315.866 3.772 20 0 DHADHM Cc1ccoc1CN(C)Cc1cccc([O-])c1Br ZINC000459554324 339035563 /nfs/dbraw/zinc/03/55/63/339035563.db2.gz DPEJMRAJPDUVMZ-UHFFFAOYSA-N -1 3 310.191 3.688 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460970402 339056306 /nfs/dbraw/zinc/05/63/06/339056306.db2.gz QMQBBOIEGMYOGL-GOSISDBHSA-N -1 3 317.404 3.645 20 0 DHADHM Cc1cc(C)cc(N(C)C(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000463654441 339123289 /nfs/dbraw/zinc/12/32/89/339123289.db2.gz WJQQYWIWPRJZBC-UHFFFAOYSA-N -1 3 305.381 3.970 20 0 DHADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000465505002 339178505 /nfs/dbraw/zinc/17/85/05/339178505.db2.gz SRAPVAUMKFMSTQ-CMPLNLGQSA-N -1 3 321.364 3.562 20 0 DHADHM C[C@H]1CCC[C@H](N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468317480 339259678 /nfs/dbraw/zinc/25/96/78/339259678.db2.gz OVFFWIIESODHKD-ZFWWWQNUSA-N -1 3 307.409 3.891 20 0 DHADHM O=C(Cc1cccc(C(F)F)c1)N1CCCc2cccc([O-])c21 ZINC000468422431 339262630 /nfs/dbraw/zinc/26/26/30/339262630.db2.gz ZIBJNLWWVICYLT-UHFFFAOYSA-N -1 3 317.335 3.852 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000468848188 339272608 /nfs/dbraw/zinc/27/26/08/339272608.db2.gz GGVVMBUUJNGMQU-LBPRGKRZSA-N -1 3 323.380 3.603 20 0 DHADHM CCc1ccc(O)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468799622 339271197 /nfs/dbraw/zinc/27/11/97/339271197.db2.gz CFSBIUYABYIIHU-UHFFFAOYSA-N -1 3 317.360 3.761 20 0 DHADHM C[C@@H]1CC(NC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000469382972 339287467 /nfs/dbraw/zinc/28/74/67/339287467.db2.gz CSRNWLGOHKQPPT-STQMWFEESA-N -1 3 307.409 3.795 20 0 DHADHM C[C@H]1CC(NC(=O)CCCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000469382970 339287522 /nfs/dbraw/zinc/28/75/22/339287522.db2.gz CSRNWLGOHKQPPT-CHWSQXEVSA-N -1 3 307.409 3.795 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)C3CCCCCC3)ccc2[n-]1 ZINC000469521431 339292467 /nfs/dbraw/zinc/29/24/67/339292467.db2.gz BCMYNMARJRUDPB-UHFFFAOYSA-N -1 3 315.417 3.756 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)C3CCCCCC3)cc2[n-]1 ZINC000469521431 339292468 /nfs/dbraw/zinc/29/24/68/339292468.db2.gz BCMYNMARJRUDPB-UHFFFAOYSA-N -1 3 315.417 3.756 20 0 DHADHM COc1cc2nc(-c3cc4ccccc4o3)[n-]c(=O)c2c(OC)c1 ZINC000469982098 339306800 /nfs/dbraw/zinc/30/68/00/339306800.db2.gz MCDPKCSAWVUAAQ-UHFFFAOYSA-N -1 3 322.320 3.766 20 0 DHADHM Cc1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)c2ccccc2)cc1 ZINC000471630134 339350079 /nfs/dbraw/zinc/35/00/79/339350079.db2.gz XEHMZMBGZIGOOD-INIZCTEOSA-N -1 3 324.405 3.677 20 0 DHADHM CS[C@H]1CCC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000472146706 339364360 /nfs/dbraw/zinc/36/43/60/339364360.db2.gz AUVIDIPBRCLNOY-GJZGRUSLSA-N -1 3 315.438 3.949 20 0 DHADHM Cc1ccccc1[C@@H]1CN(Cc2cc([O-])cc(F)c2)[C@H](C)CO1 ZINC000473144684 339382473 /nfs/dbraw/zinc/38/24/73/339382473.db2.gz VJYQQWBPMBRDGS-KUHUBIRLSA-N -1 3 315.388 3.802 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2ccc(F)cc2)s1 ZINC000475355740 339449051 /nfs/dbraw/zinc/44/90/51/339449051.db2.gz XGPPOSPWZOGNHR-UHFFFAOYSA-N -1 3 314.385 3.945 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(Cl)c1 ZINC000476277185 339473129 /nfs/dbraw/zinc/47/31/29/339473129.db2.gz PHMWOQFDVIOLCS-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000486176577 339722854 /nfs/dbraw/zinc/72/28/54/339722854.db2.gz WHDAEKUHWCCCPE-HYXAFXHYSA-N -1 3 312.703 3.916 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1[O-] ZINC000498511641 339751539 /nfs/dbraw/zinc/75/15/39/339751539.db2.gz QHPSHFHVODINGE-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1[O-] ZINC000498548875 339790415 /nfs/dbraw/zinc/79/04/15/339790415.db2.gz PFERCWGWHBSQBH-UHFFFAOYSA-N -1 3 310.180 3.937 20 0 DHADHM Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)ccc1[O-] ZINC000491579808 339867738 /nfs/dbraw/zinc/86/77/38/339867738.db2.gz VCVMDRBUPRVRPO-OAHLLOKOSA-N -1 3 301.411 3.985 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC000500050227 340049294 /nfs/dbraw/zinc/04/92/94/340049294.db2.gz BYKZDVAQYSMINE-BREBYQMCSA-N -1 3 319.829 3.582 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500443528 340058982 /nfs/dbraw/zinc/05/89/82/340058982.db2.gz ZCUPOCPNWCZIGX-RYUDHWBXSA-N -1 3 324.471 3.523 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)ccc1[O-] ZINC000500598024 340063437 /nfs/dbraw/zinc/06/34/37/340063437.db2.gz CWZQNUMTKIUERM-HXUWFJFHSA-N -1 3 309.409 3.895 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(C)c1 ZINC000501788800 340088844 /nfs/dbraw/zinc/08/88/44/340088844.db2.gz AZPQJMATHPDKDT-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)c(C)c1 ZINC000501840277 340089632 /nfs/dbraw/zinc/08/96/32/340089632.db2.gz KRXGHVUCQVGNPM-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM C[C@H](C(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F)C(F)(F)F ZINC000504571535 340149488 /nfs/dbraw/zinc/14/94/88/340149488.db2.gz WOPLDXPKJIWPBG-LDYMZIIASA-N -1 3 313.241 3.779 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCCC(F)(F)C1 ZINC000505715079 340175607 /nfs/dbraw/zinc/17/56/07/340175607.db2.gz VEPUPPMDORRVNH-SNVBAGLBSA-N -1 3 317.763 3.530 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2cn3ccccc3n2)c([O-])c1 ZINC000506227494 340189226 /nfs/dbraw/zinc/18/92/26/340189226.db2.gz LHIRQDHNAMIEEC-UHFFFAOYSA-N -1 3 323.396 3.519 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc(=O)[nH]1 ZINC000506251053 340189966 /nfs/dbraw/zinc/18/99/66/340189966.db2.gz UZGSAKHSUVVYCP-UHFFFAOYSA-N -1 3 314.385 3.605 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3[nH]cnc3c2)c([O-])c1 ZINC000507285682 340216588 /nfs/dbraw/zinc/21/65/88/340216588.db2.gz OVNISZRUNYGMJR-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM Cc1ccccc1[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508014881 340237486 /nfs/dbraw/zinc/23/74/86/340237486.db2.gz LXHUPVYHNUSTTD-ZDUSSCGKSA-N -1 3 303.352 3.968 20 0 DHADHM CCN(Cc1c(F)cccc1F)Cc1c(F)ccc([O-])c1F ZINC000508144124 340239735 /nfs/dbraw/zinc/23/97/35/340239735.db2.gz BTMJQEAFWXVEDP-UHFFFAOYSA-N -1 3 313.294 3.971 20 0 DHADHM [O-]c1ccc(F)c(CN(Cc2ccccc2)CC(F)F)c1F ZINC000508809578 340253510 /nfs/dbraw/zinc/25/35/10/340253510.db2.gz DYTWPZNUICBEPC-UHFFFAOYSA-N -1 3 313.294 3.938 20 0 DHADHM Cc1ccc(OCCCCNCc2c(F)ccc([O-])c2F)cc1 ZINC000509967645 340284222 /nfs/dbraw/zinc/28/42/22/340284222.db2.gz FGDMHKSKGPKUHF-UHFFFAOYSA-N -1 3 321.367 3.928 20 0 DHADHM C[C@H](CNCc1c(F)ccc([O-])c1F)c1ccc(F)cc1F ZINC000511397873 340326600 /nfs/dbraw/zinc/32/66/00/340326600.db2.gz YFDSKQRSQLBGDK-SECBINFHSA-N -1 3 313.294 3.842 20 0 DHADHM COc1ccc([C@H](C)NCc2c(F)ccc([O-])c2F)cc1F ZINC000511486817 340328365 /nfs/dbraw/zinc/32/83/65/340328365.db2.gz IMHYKOGDKNKOKQ-VIFPVBQESA-N -1 3 311.303 3.669 20 0 DHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000511694356 340335246 /nfs/dbraw/zinc/33/52/46/340335246.db2.gz ACTXSNZSYSFVQX-CQSZACIVSA-N -1 3 319.426 3.973 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(CC(F)(F)F)CC2)c1F ZINC000513633401 340416151 /nfs/dbraw/zinc/41/61/51/340416151.db2.gz MHJZPFWBSJNTDJ-UHFFFAOYSA-N -1 3 309.278 3.835 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1cc(Cl)sc1Cl ZINC000308359274 340416477 /nfs/dbraw/zinc/41/64/77/340416477.db2.gz SYGARPPMNRVMJM-VXNVDRBHSA-N -1 3 308.230 3.645 20 0 DHADHM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000007053941 340462114 /nfs/dbraw/zinc/46/21/14/340462114.db2.gz FCKIYXIFRQOFOF-UHFFFAOYSA-N -1 3 307.390 3.924 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c1Cl ZINC000517088355 340463614 /nfs/dbraw/zinc/46/36/14/340463614.db2.gz UMDVWDRLDSTPQF-KWQFWETISA-N -1 3 322.257 3.769 20 0 DHADHM CCc1cccc2c(CC(=O)Nc3c(C)cccc3[O-])c[nH]c21 ZINC000183076688 340486458 /nfs/dbraw/zinc/48/64/58/340486458.db2.gz WZNVQFGTAPWZCD-UHFFFAOYSA-N -1 3 308.381 3.926 20 0 DHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])cc1F ZINC000183247014 340487083 /nfs/dbraw/zinc/48/70/83/340487083.db2.gz QOGVRKHRNWLPNE-CQSZACIVSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1cnn(-c2ccc(NCc3cc([O-])cc(F)c3)cc2F)c1 ZINC000185598423 340503224 /nfs/dbraw/zinc/50/32/24/340503224.db2.gz IRUIIVPKPPLJJN-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)cc(C)c1F ZINC000185932685 340506660 /nfs/dbraw/zinc/50/66/60/340506660.db2.gz VFMJVDPYODRVQS-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000190809865 340547246 /nfs/dbraw/zinc/54/72/46/340547246.db2.gz GUQXMYRSYUZEIV-UHFFFAOYSA-N -1 3 308.765 3.793 20 0 DHADHM COc1cc(C2(C(=O)Nc3ccc(C)cc3[O-])CC2)ccc1C ZINC000523341135 340621015 /nfs/dbraw/zinc/62/10/15/340621015.db2.gz FJPUNOCVRAPHDK-UHFFFAOYSA-N -1 3 311.381 3.688 20 0 DHADHM CC(C)CC(CC(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523431124 340623867 /nfs/dbraw/zinc/62/38/67/340623867.db2.gz WYKVCRNPOSKQNL-UHFFFAOYSA-N -1 3 310.413 3.791 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523510181 340627231 /nfs/dbraw/zinc/62/72/31/340627231.db2.gz VGUSKASXIWGDSE-IVMMDQJWSA-N -1 3 322.424 3.791 20 0 DHADHM O=C(Nc1nc2ccccc2s1)c1cc([O-])ccc1Cl ZINC000236610530 340663003 /nfs/dbraw/zinc/66/30/03/340663003.db2.gz GNORKLQOEIAFFI-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC000315719483 340676491 /nfs/dbraw/zinc/67/64/91/340676491.db2.gz ZZWRGPBBRTXIPU-CYBMUJFWSA-N -1 3 305.418 3.689 20 0 DHADHM [O-]c1cccc(CNCCCn2cnc3ccccc32)c1Cl ZINC000328336109 340780329 /nfs/dbraw/zinc/78/03/29/340780329.db2.gz KFJVPNHGDIUTOH-UHFFFAOYSA-N -1 3 315.804 3.575 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)oc1C ZINC000124564960 340799846 /nfs/dbraw/zinc/79/98/46/340799846.db2.gz YXAAXTUFDQTZNI-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000124775246 340800815 /nfs/dbraw/zinc/80/08/15/340800815.db2.gz HOWURFRTWPUVNX-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(OC)ccc2Cl)c1[O-] ZINC000538743814 340846532 /nfs/dbraw/zinc/84/65/32/340846532.db2.gz NHAQPPNLQRNYCY-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC000538766489 340849790 /nfs/dbraw/zinc/84/97/90/340849790.db2.gz UDNKDWDWJNTRRA-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM Cc1c(NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])cnn1C ZINC000538783094 340851367 /nfs/dbraw/zinc/85/13/67/340851367.db2.gz XRWMQXDVCSTIIS-UHFFFAOYSA-N -1 3 315.417 3.933 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000539847706 340905741 /nfs/dbraw/zinc/90/57/41/340905741.db2.gz ROFVONRFPBRTBX-KRWDZBQOSA-N -1 3 309.409 3.802 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)c1ccc(Cl)s1 ZINC000540205471 340923484 /nfs/dbraw/zinc/92/34/84/340923484.db2.gz GLXKWTWLEFQOHE-VIFPVBQESA-N -1 3 319.835 3.733 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)o1 ZINC000129681178 340980509 /nfs/dbraw/zinc/98/05/09/340980509.db2.gz UJAHYMQTNRGAHW-HSHKGWJESA-N -1 3 301.317 3.900 20 0 DHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(CC2CC2)no1 ZINC000542707620 341018452 /nfs/dbraw/zinc/01/84/52/341018452.db2.gz HLBMTACVUOBJPW-UHFFFAOYSA-N -1 3 322.364 3.974 20 0 DHADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000542802486 341021267 /nfs/dbraw/zinc/02/12/67/341021267.db2.gz ILQFTYMVXQTOCY-RKDXNWHRSA-N -1 3 300.196 3.775 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000130865366 341050256 /nfs/dbraw/zinc/05/02/56/341050256.db2.gz AKLRHKWYOOUQFU-JTQLQIEISA-N -1 3 313.781 3.519 20 0 DHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000543740505 341056217 /nfs/dbraw/zinc/05/62/17/341056217.db2.gz HMOWKCUHKBLPJV-UHFFFAOYSA-N -1 3 313.397 3.668 20 0 DHADHM Cc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000543962403 341064352 /nfs/dbraw/zinc/06/43/52/341064352.db2.gz KPMGULUBTLNYBM-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM C[C@H](CCNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000544033770 341067430 /nfs/dbraw/zinc/06/74/30/341067430.db2.gz OGWKSVGXPMARGQ-CYBMUJFWSA-N -1 3 316.376 3.524 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2cc(C(=O)OC)cs2)on1 ZINC000131430274 341087398 /nfs/dbraw/zinc/08/73/98/341087398.db2.gz MKVRMPCHGXFEMD-UHFFFAOYSA-N -1 3 322.386 3.679 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)c([O-])c1 ZINC000544686498 341091027 /nfs/dbraw/zinc/09/10/27/341091027.db2.gz XQFGBAPQUUGMKL-UHFFFAOYSA-N -1 3 323.352 3.601 20 0 DHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1ccc(Cl)o1 ZINC000072637633 341095299 /nfs/dbraw/zinc/09/52/99/341095299.db2.gz LFJATOOBCDTXSA-UHFFFAOYSA-N -1 3 313.762 3.732 20 0 DHADHM CC(C)c1cc(C(=O)N(C)C[C@H]2CCCO2)c([O-])c(C(C)C)c1 ZINC000544884056 341097333 /nfs/dbraw/zinc/09/73/33/341097333.db2.gz JSRPNVJKZHOFDT-OAHLLOKOSA-N -1 3 319.445 3.890 20 0 DHADHM Cc1cccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c1[O-] ZINC000545092891 341108127 /nfs/dbraw/zinc/10/81/27/341108127.db2.gz QFENHGXLKVZYPY-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccco2)on1 ZINC000074192348 341133972 /nfs/dbraw/zinc/13/39/72/341133972.db2.gz PTHPDCDMKSDRSJ-UHFFFAOYSA-N -1 3 311.322 3.797 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)c2c([O-])cccc21 ZINC000545953765 341148266 /nfs/dbraw/zinc/14/82/66/341148266.db2.gz SMRJOQVQJSJSJN-NSHDSACASA-N -1 3 323.352 3.529 20 0 DHADHM Cc1ccnc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000546288040 341161330 /nfs/dbraw/zinc/16/13/30/341161330.db2.gz ASAGOZXMHKVYNY-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM Cc1ccc(Cc2noc(-c3cc4c(cc3[O-])CCCC4)n2)cn1 ZINC000547052165 341193740 /nfs/dbraw/zinc/19/37/40/341193740.db2.gz DMGGCWXNGVROKM-UHFFFAOYSA-N -1 3 321.380 3.615 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([O-])c1 ZINC000076518679 341208880 /nfs/dbraw/zinc/20/88/80/341208880.db2.gz RLGUEHRIQRSZKT-HIFRSBDPSA-N -1 3 313.372 3.858 20 0 DHADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000547430310 341212784 /nfs/dbraw/zinc/21/27/84/341212784.db2.gz XMHFVRMOKNARJV-SNVBAGLBSA-N -1 3 316.382 3.818 20 0 DHADHM COCc1nc(C(=O)[N-]c2ccccc2SC(C)C)co1 ZINC000547517273 341219676 /nfs/dbraw/zinc/21/96/76/341219676.db2.gz YHSJEBRIURFLTI-UHFFFAOYSA-N -1 3 306.387 3.574 20 0 DHADHM Cc1ccc(F)c(OCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000135142342 341232178 /nfs/dbraw/zinc/23/21/78/341232178.db2.gz LRQJJIFDRDROSM-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1[O-] ZINC000135191198 341233124 /nfs/dbraw/zinc/23/31/24/341233124.db2.gz VELPHVSHBVVKJZ-OAHLLOKOSA-N -1 3 313.372 3.545 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)Cc2cccc3ccccc32)c1 ZINC000078260713 341239209 /nfs/dbraw/zinc/23/92/09/341239209.db2.gz WPOIZFPYKSUMTQ-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000078568880 341244268 /nfs/dbraw/zinc/24/42/68/341244268.db2.gz WOQPNLOYALRELH-AWEZNQCLSA-N -1 3 317.410 3.612 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C ZINC000135915372 341248218 /nfs/dbraw/zinc/24/82/18/341248218.db2.gz RNMYBUUOGNORIG-UHFFFAOYSA-N -1 3 312.394 3.652 20 0 DHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(C)cc1[O-] ZINC000135996577 341249945 /nfs/dbraw/zinc/24/99/45/341249945.db2.gz ADUAKAHYAGTCBI-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM COc1cc(C)ccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000548705823 341269997 /nfs/dbraw/zinc/26/99/97/341269997.db2.gz SFRZUWOHVBYSLG-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(C)C)CC2)c1Cl ZINC000549524006 341296207 /nfs/dbraw/zinc/29/62/07/341296207.db2.gz GKSOBTYIRGBDKC-UHFFFAOYSA-N -1 3 322.257 3.769 20 0 DHADHM O=C(NC1(C(F)F)CCCCC1)c1cc([O-])ccc1Cl ZINC000552111581 341370488 /nfs/dbraw/zinc/37/04/88/341370488.db2.gz IOQYGQPBNFGXCR-UHFFFAOYSA-N -1 3 303.736 3.743 20 0 DHADHM CCO[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000142497251 341394096 /nfs/dbraw/zinc/39/40/96/341394096.db2.gz WWNZXCOBVSDJNA-HNNXBMFYSA-N -1 3 305.761 3.762 20 0 DHADHM O=C(c1cccc([O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552961877 341410717 /nfs/dbraw/zinc/41/07/17/341410717.db2.gz VDJUUPSHNKERTF-IPMKNSEASA-N -1 3 307.393 3.801 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1[O-] ZINC000553161718 341418484 /nfs/dbraw/zinc/41/84/84/341418484.db2.gz DVJZJMZMXPEAMB-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CCc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000553204731 341419913 /nfs/dbraw/zinc/41/99/13/341419913.db2.gz JHEYWFGZZHOGKS-UHFFFAOYSA-N -1 3 323.314 3.903 20 0 DHADHM CCc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1CC ZINC000091553412 341426783 /nfs/dbraw/zinc/42/67/83/341426783.db2.gz XRZNQDIAWVGIDL-GFCCVEGCSA-N -1 3 301.390 3.547 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccc(C)s2)c1[O-] ZINC000564659792 341506276 /nfs/dbraw/zinc/50/62/76/341506276.db2.gz YFLZOWHXJMXPMV-UHFFFAOYSA-N -1 3 303.383 3.536 20 0 DHADHM Cc1cc([C@@H](C)N2CCC(OC3CCCC3)CC2)oc1C(=O)[O-] ZINC000565105524 341517366 /nfs/dbraw/zinc/51/73/66/341517366.db2.gz TVHQTQOOHQLISR-CYBMUJFWSA-N -1 3 321.417 3.771 20 0 DHADHM Cc1cc([C@H](C)N2CCC(OC3CCCC3)CC2)oc1C(=O)[O-] ZINC000565105527 341517390 /nfs/dbraw/zinc/51/73/90/341517390.db2.gz TVHQTQOOHQLISR-ZDUSSCGKSA-N -1 3 321.417 3.771 20 0 DHADHM Cc1ccc(SCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000565709572 341535753 /nfs/dbraw/zinc/53/57/53/341535753.db2.gz JNFLMDFUMRIJFK-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153636508 341576158 /nfs/dbraw/zinc/57/61/58/341576158.db2.gz WHBLYVFKFOSEKN-KBPBESRZSA-N -1 3 317.772 3.796 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]2CCCC[C@H]12 ZINC000567335782 341596218 /nfs/dbraw/zinc/59/62/18/341596218.db2.gz DYIPXGBPXJALKD-XNRPHZJLSA-N -1 3 305.393 3.501 20 0 DHADHM CCCCn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000155678659 341611227 /nfs/dbraw/zinc/61/12/27/341611227.db2.gz YZWNPSZHWKPKNR-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccccc1[O-] ZINC000157750951 341644870 /nfs/dbraw/zinc/64/48/70/341644870.db2.gz VUDVTOYGHKNOCD-UHFFFAOYSA-N -1 3 317.414 3.588 20 0 DHADHM [O-]c1cccnc1CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000573248111 341722347 /nfs/dbraw/zinc/72/23/47/341722347.db2.gz DLDFGIHNLKOABE-GOSISDBHSA-N -1 3 300.377 3.947 20 0 DHADHM CC(C)(CC(=O)[O-])NCc1ccc(-c2cccc(F)c2F)o1 ZINC000574218341 341752375 /nfs/dbraw/zinc/75/23/75/341752375.db2.gz ZHPCEBITVOVGAL-UHFFFAOYSA-N -1 3 309.312 3.568 20 0 DHADHM CCn1cc(CC(=O)Nc2cc(F)ccc2[O-])c2ccccc21 ZINC000174882933 341832780 /nfs/dbraw/zinc/83/27/80/341832780.db2.gz LVZTWGYJEOMNHD-UHFFFAOYSA-N -1 3 312.344 3.687 20 0 DHADHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc([O-])c1 ZINC000192611400 341879574 /nfs/dbraw/zinc/87/95/74/341879574.db2.gz JHHGOWJMZHPDGL-UHFFFAOYSA-N -1 3 311.259 3.586 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000178330274 341951797 /nfs/dbraw/zinc/95/17/97/341951797.db2.gz SOWQZRQUDYXPNC-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM CC(C)(C)Oc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000157484012 518892473 /nfs/dbraw/zinc/89/24/73/518892473.db2.gz UQIPGVSTPMTEHI-UHFFFAOYSA-N -1 3 320.311 3.869 20 0 DHADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)[C@@H]3CCCO3)on2)cc1 ZINC000339601949 519007488 /nfs/dbraw/zinc/00/74/88/519007488.db2.gz ZNRLEXSVKPSBHX-HNNXBMFYSA-N -1 3 314.385 3.757 20 0 DHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OCc1cccnc1 ZINC000155809856 519285189 /nfs/dbraw/zinc/28/51/89/519285189.db2.gz JUDVJEFKNVAAEV-UHFFFAOYSA-N -1 3 318.804 3.552 20 0 DHADHM CC(C)CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000265737113 519705834 /nfs/dbraw/zinc/70/58/34/519705834.db2.gz CVDRAEZDHHQXJO-UHFFFAOYSA-N -1 3 308.397 3.642 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000339587008 519781057 /nfs/dbraw/zinc/78/10/57/519781057.db2.gz CJGOKQYTSWXDQO-UHFFFAOYSA-N -1 3 311.341 3.709 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000339587008 519781058 /nfs/dbraw/zinc/78/10/58/519781058.db2.gz CJGOKQYTSWXDQO-UHFFFAOYSA-N -1 3 311.341 3.709 20 0 DHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1 ZINC000180165933 522431152 /nfs/dbraw/zinc/43/11/52/522431152.db2.gz XTMGQUXEQNNZHK-LLVKDONJSA-N -1 3 308.378 3.535 20 0 DHADHM COCc1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186312803 523028125 /nfs/dbraw/zinc/02/81/25/523028125.db2.gz MRTWCDRVKNKXRU-ZDUSSCGKSA-N -1 3 311.381 3.693 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2cccc(Cl)c2)n1 ZINC000182588515 523836118 /nfs/dbraw/zinc/83/61/18/523836118.db2.gz DYPJGVUZKGDPNK-CQSZACIVSA-N -1 3 305.809 3.639 20 0 DHADHM C[C@H](CCC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000162857572 524118496 /nfs/dbraw/zinc/11/84/96/524118496.db2.gz GSBATAZJXYMOJN-CYBMUJFWSA-N -1 3 301.361 3.731 20 0 DHADHM C[C@H](CCC(C)(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265512673 524128910 /nfs/dbraw/zinc/12/89/10/524128910.db2.gz KQOBVZOIMYQVQR-GFCCVEGCSA-N -1 3 300.402 3.885 20 0 DHADHM Cc1cccc(C(C)(C)NCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000180255926 524233124 /nfs/dbraw/zinc/23/31/24/524233124.db2.gz XBGWYCXAMQZHJZ-UHFFFAOYSA-N -1 3 323.392 3.832 20 0 DHADHM C[C@@H](C1CCCCC1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000338375148 524336652 /nfs/dbraw/zinc/33/66/52/524336652.db2.gz UZPCDRPBJKFLTQ-NSHDSACASA-N -1 3 305.447 3.798 20 0 DHADHM C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000336915989 524424353 /nfs/dbraw/zinc/42/43/53/524424353.db2.gz BRTOPOPEAYHVBX-PSASIEDQSA-N -1 3 309.822 3.710 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000337294203 524459844 /nfs/dbraw/zinc/45/98/44/524459844.db2.gz HRYDBBMFBFPGAZ-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000365674873 524832930 /nfs/dbraw/zinc/83/29/30/524832930.db2.gz DJPRKBIEEAGEHH-ZBEGNZNMSA-N -1 3 316.788 3.664 20 0 DHADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1C(F)(F)F ZINC000155632199 525167162 /nfs/dbraw/zinc/16/71/62/525167162.db2.gz LYIMGINGEQKHCT-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1C(F)(F)F ZINC000155632199 525167166 /nfs/dbraw/zinc/16/71/66/525167166.db2.gz LYIMGINGEQKHCT-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c3ncccc23)n1 ZINC000338215993 525358893 /nfs/dbraw/zinc/35/88/93/525358893.db2.gz VNSZWSDCNMKXDV-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182905798 525875645 /nfs/dbraw/zinc/87/56/45/525875645.db2.gz ZZATYGFGSSUXEC-KGLIPLIRSA-N -1 3 313.422 3.845 20 0 DHADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1F ZINC000117113357 526001177 /nfs/dbraw/zinc/00/11/77/526001177.db2.gz BZGZGQUBFMCGKZ-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM CSc1ccc(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000158492822 526015764 /nfs/dbraw/zinc/01/57/64/526015764.db2.gz PSRALVIKDXGSPN-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000158492822 526015767 /nfs/dbraw/zinc/01/57/67/526015767.db2.gz PSRALVIKDXGSPN-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(Cl)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000158492669 526016854 /nfs/dbraw/zinc/01/68/54/526016854.db2.gz PSRALVIKDXGSPN-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(Cl)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000158492669 526016867 /nfs/dbraw/zinc/01/68/67/526016867.db2.gz PSRALVIKDXGSPN-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227824823 526046857 /nfs/dbraw/zinc/04/68/57/526046857.db2.gz ILOBMJPSTDECFL-OTYXRUKQSA-N -1 3 302.201 3.851 20 0 DHADHM [O-]c1ccc(-c2noc(C3(c4ccccc4)CCOCC3)n2)cc1 ZINC000265152824 526337525 /nfs/dbraw/zinc/33/75/25/526337525.db2.gz GMCDVJVGLBBUSH-UHFFFAOYSA-N -1 3 322.364 3.539 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000034956127 526337571 /nfs/dbraw/zinc/33/75/71/526337571.db2.gz GWNUTLNLEMGWLP-UHFFFAOYSA-N -1 3 317.142 3.872 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)c(F)cc1Cl ZINC000339343335 526547190 /nfs/dbraw/zinc/54/71/90/526547190.db2.gz MIVPPWHFGPVBSF-UHFFFAOYSA-N -1 3 303.120 3.990 20 0 DHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCC(=O)[O-] ZINC000237421818 526604743 /nfs/dbraw/zinc/60/47/43/526604743.db2.gz XUDHDFTYBXWSHQ-GFCCVEGCSA-N -1 3 304.415 3.586 20 0 DHADHM Cc1noc([N-]C(=O)COc2cc(Cl)cc(Cl)c2)c1C ZINC000359376247 526638354 /nfs/dbraw/zinc/63/83/54/526638354.db2.gz HJMQVKYLYSVMNJ-UHFFFAOYSA-N -1 3 315.156 3.616 20 0 DHADHM Cc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(=O)[n-]1 ZINC000338396776 527006771 /nfs/dbraw/zinc/00/67/71/527006771.db2.gz WSRXCRAUVTYTPI-UHFFFAOYSA-N -1 3 320.352 3.802 20 0 DHADHM O=C([N-]c1nc2ccsc2s1)c1nc2cccnc2s1 ZINC000338179561 527518081 /nfs/dbraw/zinc/51/80/81/527518081.db2.gz VJLRSQNDQYCLFN-UHFFFAOYSA-N -1 3 318.408 3.615 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(Cl)ccc1F ZINC000336891962 527533324 /nfs/dbraw/zinc/53/33/24/527533324.db2.gz ODMFSGGYMNWDHE-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM O=C([O-])CCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000181578636 527582068 /nfs/dbraw/zinc/58/20/68/527582068.db2.gz XLPAIJADEJXYPX-ZDUSSCGKSA-N -1 3 304.415 3.688 20 0 DHADHM COc1cc(C)cc(-c2nc([C@@H](C)c3cccs3)no2)c1[O-] ZINC000273790017 536627542 /nfs/dbraw/zinc/62/75/42/536627542.db2.gz FMQLNDXQXPIOHI-JTQLQIEISA-N -1 3 316.382 3.973 20 0 DHADHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000737279042 598934950 /nfs/dbraw/zinc/93/49/50/598934950.db2.gz HDDKIDYOCITIGQ-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000737279042 598934951 /nfs/dbraw/zinc/93/49/51/598934951.db2.gz HDDKIDYOCITIGQ-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM CCC(CC)Sc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736351090 599050464 /nfs/dbraw/zinc/05/04/64/599050464.db2.gz QGVRENCBSMQRJI-UHFFFAOYSA-N -1 3 317.340 3.561 20 0 DHADHM CCC(CC)Sc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736351090 599050467 /nfs/dbraw/zinc/05/04/67/599050467.db2.gz QGVRENCBSMQRJI-UHFFFAOYSA-N -1 3 317.340 3.561 20 0 DHADHM Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737343713 599066204 /nfs/dbraw/zinc/06/62/04/599066204.db2.gz UQFNEFZHUGCZQE-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737343713 599066206 /nfs/dbraw/zinc/06/62/06/599066206.db2.gz UQFNEFZHUGCZQE-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC(C)(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735592961 599118631 /nfs/dbraw/zinc/11/86/31/599118631.db2.gz DHBZMWSYFIAFTR-OAHLLOKOSA-N -1 3 322.416 3.851 20 0 DHADHM CC(C)(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735592961 599118633 /nfs/dbraw/zinc/11/86/33/599118633.db2.gz DHBZMWSYFIAFTR-OAHLLOKOSA-N -1 3 322.416 3.851 20 0 DHADHM C[C@H](CNc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000820280472 599196817 /nfs/dbraw/zinc/19/68/17/599196817.db2.gz HEWFHWQUCMFKCH-LLVKDONJSA-N -1 3 313.792 3.736 20 0 DHADHM C[C@H](CNc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000820280472 599196819 /nfs/dbraw/zinc/19/68/19/599196819.db2.gz HEWFHWQUCMFKCH-LLVKDONJSA-N -1 3 313.792 3.736 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737180109 599233215 /nfs/dbraw/zinc/23/32/15/599233215.db2.gz PBMHLSQZLMXROE-GHMZBOCLSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737180109 599233218 /nfs/dbraw/zinc/23/32/18/599233218.db2.gz PBMHLSQZLMXROE-GHMZBOCLSA-N -1 3 323.853 3.606 20 0 DHADHM C[C@@H](Oc1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174902 599287010 /nfs/dbraw/zinc/28/70/10/599287010.db2.gz PKFBVQUFTRTHBB-SECBINFHSA-N -1 3 318.739 3.799 20 0 DHADHM C[C@@H](Oc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174902 599287011 /nfs/dbraw/zinc/28/70/11/599287011.db2.gz PKFBVQUFTRTHBB-SECBINFHSA-N -1 3 318.739 3.799 20 0 DHADHM Fc1ccc(NCc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737657049 598603461 /nfs/dbraw/zinc/60/34/61/598603461.db2.gz SYWPLWPHTXGENE-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(NCc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737657049 598603462 /nfs/dbraw/zinc/60/34/62/598603462.db2.gz SYWPLWPHTXGENE-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Clc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737577110 598628875 /nfs/dbraw/zinc/62/88/75/598628875.db2.gz RZHNCXAJXHBMQR-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737577110 598628876 /nfs/dbraw/zinc/62/88/76/598628876.db2.gz RZHNCXAJXHBMQR-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737343558 598653168 /nfs/dbraw/zinc/65/31/68/598653168.db2.gz XUBLHRAIVKTLJA-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737343558 598653170 /nfs/dbraw/zinc/65/31/70/598653170.db2.gz XUBLHRAIVKTLJA-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CCCCC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736441350 598816630 /nfs/dbraw/zinc/81/66/30/598816630.db2.gz PZAFBJJFZXQDFU-MRXNPFEDSA-N -1 3 322.416 3.995 20 0 DHADHM CCCCC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736441350 598816628 /nfs/dbraw/zinc/81/66/28/598816628.db2.gz PZAFBJJFZXQDFU-MRXNPFEDSA-N -1 3 322.416 3.995 20 0 DHADHM C[C@H](Nc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461277 599362647 /nfs/dbraw/zinc/36/26/47/599362647.db2.gz GQTPRXFUAYGJGC-LBPRGKRZSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@H](Nc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461277 599362650 /nfs/dbraw/zinc/36/26/50/599362650.db2.gz GQTPRXFUAYGJGC-LBPRGKRZSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@@H](Nc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456361 599369120 /nfs/dbraw/zinc/36/91/20/599369120.db2.gz UABRTDAOEPXYON-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456361 599369123 /nfs/dbraw/zinc/36/91/23/599369123.db2.gz UABRTDAOEPXYON-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1cc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC000822212795 599376491 /nfs/dbraw/zinc/37/64/91/599376491.db2.gz HUAXCMNVCPPHSM-LBPRGKRZSA-N -1 3 318.384 3.830 20 0 DHADHM Cc1cc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC000822212795 599376493 /nfs/dbraw/zinc/37/64/93/599376493.db2.gz HUAXCMNVCPPHSM-LBPRGKRZSA-N -1 3 318.384 3.830 20 0 DHADHM Fc1ccc(NCc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822782943 599504648 /nfs/dbraw/zinc/50/46/48/599504648.db2.gz MURCYRFYNFVTPD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(NCc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822782943 599504651 /nfs/dbraw/zinc/50/46/51/599504651.db2.gz MURCYRFYNFVTPD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM CC[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(F)cc1 ZINC000736391745 599522457 /nfs/dbraw/zinc/52/24/57/599522457.db2.gz NFGWLJLPVXWIAP-ZDUSSCGKSA-N -1 3 315.377 3.644 20 0 DHADHM CC[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(F)cc1 ZINC000736391745 599522459 /nfs/dbraw/zinc/52/24/59/599522459.db2.gz NFGWLJLPVXWIAP-ZDUSSCGKSA-N -1 3 315.377 3.644 20 0 DHADHM CCCCC[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821050973 599623252 /nfs/dbraw/zinc/62/32/52/599623252.db2.gz WBYVGUIWMQFNIN-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCC[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821050973 599623253 /nfs/dbraw/zinc/62/32/53/599623253.db2.gz WBYVGUIWMQFNIN-ZDUSSCGKSA-N -1 3 316.405 3.516 20 0 DHADHM Cc1ccc(C)n1C1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000738981282 599715051 /nfs/dbraw/zinc/71/50/51/599715051.db2.gz WCMWPQHEPYNZFT-UHFFFAOYSA-N -1 3 316.401 3.542 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000740132862 599842419 /nfs/dbraw/zinc/84/24/19/599842419.db2.gz MTMQSGIZPBZWBQ-UHFFFAOYSA-N -1 3 323.364 3.989 20 0 DHADHM CC(C)Oc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000320852532 599847128 /nfs/dbraw/zinc/84/71/28/599847128.db2.gz AMSMLZKHKNLZGO-UHFFFAOYSA-N -1 3 313.397 3.804 20 0 DHADHM CN(Cc1ccc(Cl)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071265062 600081916 /nfs/dbraw/zinc/08/19/16/600081916.db2.gz DNGOYSLZEYWDMX-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1cccs1 ZINC000564738867 600082448 /nfs/dbraw/zinc/08/24/48/600082448.db2.gz SYTWIMGVSQYMFQ-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1cc2ccccc2nc1Cl ZINC000736468983 600223892 /nfs/dbraw/zinc/22/38/92/600223892.db2.gz RBPDFRZNHLWACL-UHFFFAOYSA-N -1 3 306.793 3.573 20 0 DHADHM O=C([O-])CCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000172074250 600225275 /nfs/dbraw/zinc/22/52/75/600225275.db2.gz YCFUVMWWFFVDJI-ZDUSSCGKSA-N -1 3 302.201 3.995 20 0 DHADHM CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736999534 600424301 /nfs/dbraw/zinc/42/43/01/600424301.db2.gz FZRCGXRRNOQLHE-GOSISDBHSA-N -1 3 313.397 3.781 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000739510182 600436453 /nfs/dbraw/zinc/43/64/53/600436453.db2.gz XKMDMPNWJXNAJF-HZPDHXFCSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000738957726 600630197 /nfs/dbraw/zinc/63/01/97/600630197.db2.gz MLXAFOSVMSLDAU-UHFFFAOYSA-N -1 3 317.360 3.838 20 0 DHADHM C[C@@H]1C[C@H](C)CN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568066980 600716026 /nfs/dbraw/zinc/71/60/26/600716026.db2.gz IZJPJZSIZYXJCH-NWDGAFQWSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccoc2C(=O)[O-])C1 ZINC000581553726 600836244 /nfs/dbraw/zinc/83/62/44/600836244.db2.gz BVEOHZMQNXKUOZ-ABAIWWIYSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC(OCC2CCCCC2)CC1 ZINC000833335049 600837282 /nfs/dbraw/zinc/83/72/82/600837282.db2.gz VRGZUDIFCIDRMK-UHFFFAOYSA-N -1 3 321.417 3.539 20 0 DHADHM O=C([O-])CC1(NCc2csc(-c3ccco3)n2)CCCCC1 ZINC000833205378 601562317 /nfs/dbraw/zinc/56/23/17/601562317.db2.gz BOYBVZNFRDARSG-UHFFFAOYSA-N -1 3 320.414 3.670 20 0 DHADHM C[C@H](c1ccco1)N(CCOc1cccc(C(=O)[O-])c1)C1CC1 ZINC000570168701 601610610 /nfs/dbraw/zinc/61/06/10/601610610.db2.gz HCLASGHQSOCACH-CYBMUJFWSA-N -1 3 315.369 3.582 20 0 DHADHM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1F ZINC000833314612 601627218 /nfs/dbraw/zinc/62/72/18/601627218.db2.gz OBRMFRPODXJHRM-UHFFFAOYSA-N -1 3 317.335 3.832 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2F)n1 ZINC000828672112 602222215 /nfs/dbraw/zinc/22/22/15/602222215.db2.gz MVYSCBOZBYNATR-MRXNPFEDSA-N -1 3 322.405 3.682 20 0 DHADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000739029154 602451243 /nfs/dbraw/zinc/45/12/43/602451243.db2.gz SXAWZEUBCOPBBT-RYUDHWBXSA-N -1 3 310.825 3.769 20 0 DHADHM FC(F)(F)CCCCNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826367846 607684884 /nfs/dbraw/zinc/68/48/84/607684884.db2.gz QQTOWVGSCPZWBT-UHFFFAOYSA-N -1 3 319.718 3.665 20 0 DHADHM FC(F)(F)CCCCNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826367846 607684885 /nfs/dbraw/zinc/68/48/85/607684885.db2.gz QQTOWVGSCPZWBT-UHFFFAOYSA-N -1 3 319.718 3.665 20 0 DHADHM O=C([O-])[C@H]1CC12CCN(Cc1c(Cl)oc3ccccc31)CC2 ZINC000833771979 604650776 /nfs/dbraw/zinc/65/07/76/604650776.db2.gz WNCJEHKDNGELRV-CYBMUJFWSA-N -1 3 319.788 3.773 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572729287 604758186 /nfs/dbraw/zinc/75/81/86/604758186.db2.gz WQXYOLNXHOTRJY-UONOGXRCSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@@]1(NCc2csc(-c3ccco3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571382 604813350 /nfs/dbraw/zinc/81/33/50/604813350.db2.gz XTHAXILLKBRSRB-MLGOLLRUSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@]1(NCc2coc(-c3cccs3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833569851 604817493 /nfs/dbraw/zinc/81/74/93/604817493.db2.gz PQJGDBOTYNZPTE-LRDDRELGSA-N -1 3 320.414 3.526 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000135024550 604943215 /nfs/dbraw/zinc/94/32/15/604943215.db2.gz WBBNJLQFFFGUBN-LLVKDONJSA-N -1 3 313.800 3.802 20 0 DHADHM CCc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)s1 ZINC000833670947 605002720 /nfs/dbraw/zinc/00/27/20/605002720.db2.gz PWJXWEKZBBTLEK-GFCCVEGCSA-N -1 3 319.426 3.625 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2CC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000833616375 605072260 /nfs/dbraw/zinc/07/22/60/605072260.db2.gz SLNBEQHYBPTBLP-RHSMWYFYSA-N -1 3 313.397 3.880 20 0 DHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825397909 605117689 /nfs/dbraw/zinc/11/76/89/605117689.db2.gz ROBPXMULSRTNIA-VXGBXAGGSA-N -1 3 304.415 3.928 20 0 DHADHM C[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000565486559 605205505 /nfs/dbraw/zinc/20/55/05/605205505.db2.gz MTHVXSDSLYLTPB-CYBMUJFWSA-N -1 3 314.385 3.662 20 0 DHADHM C[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H]1C ZINC000520823933 605209927 /nfs/dbraw/zinc/20/99/27/605209927.db2.gz OYTWBBROMNGUFR-CHWSQXEVSA-N -1 3 314.385 3.660 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000834159476 605790155 /nfs/dbraw/zinc/79/01/55/605790155.db2.gz PTAWASQGCRCXCE-KZNAEPCWSA-N -1 3 308.381 3.717 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833669416 605835145 /nfs/dbraw/zinc/83/51/45/605835145.db2.gz WUNCYFAWIJPLCM-KBPBESRZSA-N -1 3 311.422 3.630 20 0 DHADHM O=C([O-])Nc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000834269178 605991693 /nfs/dbraw/zinc/99/16/93/605991693.db2.gz RTXUMYQFWALQIR-LLVKDONJSA-N -1 3 302.296 3.551 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1F ZINC000822191781 606431123 /nfs/dbraw/zinc/43/11/23/606431123.db2.gz QGWBZLLXIMPPFN-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000822191781 606431124 /nfs/dbraw/zinc/43/11/24/606431124.db2.gz QGWBZLLXIMPPFN-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc2cc(C=Cc3ccc(-c4nnn[n-]4)cn3)oc2cc1C ZINC000822212676 606618544 /nfs/dbraw/zinc/61/85/44/606618544.db2.gz BKWISMMSGPVIIX-AATRIKPKSA-N -1 3 317.352 3.795 20 0 DHADHM Cc1cc2cc(C=Cc3ccc(-c4nn[n-]n4)cn3)oc2cc1C ZINC000822212676 606618546 /nfs/dbraw/zinc/61/85/46/606618546.db2.gz BKWISMMSGPVIIX-AATRIKPKSA-N -1 3 317.352 3.795 20 0 DHADHM Clc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000037102086 606659600 /nfs/dbraw/zinc/65/96/00/606659600.db2.gz KAYFRFXKPVMVCY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000037102086 606659601 /nfs/dbraw/zinc/65/96/01/606659601.db2.gz KAYFRFXKPVMVCY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1cc(Cl)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822202101 606926164 /nfs/dbraw/zinc/92/61/64/606926164.db2.gz LASSANMGVXVXPL-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(Cl)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822202101 606926165 /nfs/dbraw/zinc/92/61/65/606926165.db2.gz LASSANMGVXVXPL-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CCOc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000821436954 607010223 /nfs/dbraw/zinc/01/02/23/607010223.db2.gz ICPGJNBQXVHWBR-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCOc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000821436954 607010227 /nfs/dbraw/zinc/01/02/27/607010227.db2.gz ICPGJNBQXVHWBR-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2cc(F)ccc2F)c1 ZINC000822757623 607038249 /nfs/dbraw/zinc/03/82/49/607038249.db2.gz AJYHNMDNXFAMNB-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2cc(F)ccc2F)c1 ZINC000822757623 607038251 /nfs/dbraw/zinc/03/82/51/607038251.db2.gz AJYHNMDNXFAMNB-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM FC1(F)CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822736887 607131079 /nfs/dbraw/zinc/13/10/79/607131079.db2.gz LQTVSZZTHSAJIA-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822736887 607131080 /nfs/dbraw/zinc/13/10/80/607131080.db2.gz LQTVSZZTHSAJIA-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM CC(C)(C)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819959017 607251622 /nfs/dbraw/zinc/25/16/22/607251622.db2.gz UWZVGEHKQRRSJC-VOTSOKGWSA-N -1 3 311.414 3.791 20 0 DHADHM CC(C)(C)c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819959017 607251623 /nfs/dbraw/zinc/25/16/23/607251623.db2.gz UWZVGEHKQRRSJC-VOTSOKGWSA-N -1 3 311.414 3.791 20 0 DHADHM CSc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1C ZINC000826231032 608430010 /nfs/dbraw/zinc/43/00/10/608430010.db2.gz UJLQBTXGPBDOEX-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM CSc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1C ZINC000826231032 608430011 /nfs/dbraw/zinc/43/00/11/608430011.db2.gz UJLQBTXGPBDOEX-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825342190 608529533 /nfs/dbraw/zinc/52/95/33/608529533.db2.gz QLBLYSXBAKMYLM-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825342190 608529534 /nfs/dbraw/zinc/52/95/34/608529534.db2.gz QLBLYSXBAKMYLM-ZDUSSCGKSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826291608 609161199 /nfs/dbraw/zinc/16/11/99/609161199.db2.gz NMXFFYFBXHAMSV-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826291608 609161201 /nfs/dbraw/zinc/16/12/01/609161201.db2.gz NMXFFYFBXHAMSV-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826299743 609161259 /nfs/dbraw/zinc/16/12/59/609161259.db2.gz SPJCFDGNBKBNNY-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826299743 609161260 /nfs/dbraw/zinc/16/12/60/609161260.db2.gz SPJCFDGNBKBNNY-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM CSc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826230973 609163478 /nfs/dbraw/zinc/16/34/78/609163478.db2.gz RBFFWYDYKLNFMB-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826230973 609163479 /nfs/dbraw/zinc/16/34/79/609163479.db2.gz RBFFWYDYKLNFMB-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1c(C)cccc1C ZINC000825480706 609177738 /nfs/dbraw/zinc/17/77/38/609177738.db2.gz HGONFPYMERGIGU-UHFFFAOYSA-N -1 3 322.416 3.527 20 0 DHADHM Cc1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826288673 609183916 /nfs/dbraw/zinc/18/39/16/609183916.db2.gz RJKZKWUMYHQGEU-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826288673 609183917 /nfs/dbraw/zinc/18/39/17/609183917.db2.gz RJKZKWUMYHQGEU-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826298398 609184283 /nfs/dbraw/zinc/18/42/83/609184283.db2.gz QXKKTHBETZFMIY-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826298398 609184285 /nfs/dbraw/zinc/18/42/85/609184285.db2.gz QXKKTHBETZFMIY-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM FCc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826370475 609185733 /nfs/dbraw/zinc/18/57/33/609185733.db2.gz VBHJDXZPOJAGHU-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM FCc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826370475 609185734 /nfs/dbraw/zinc/18/57/34/609185734.db2.gz VBHJDXZPOJAGHU-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM CC(C)Oc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824333437 609236390 /nfs/dbraw/zinc/23/63/90/609236390.db2.gz JUAIOHXSWGBPGZ-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824333437 609236391 /nfs/dbraw/zinc/23/63/91/609236391.db2.gz JUAIOHXSWGBPGZ-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM FCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826370480 609268330 /nfs/dbraw/zinc/26/83/30/609268330.db2.gz VGQQLYNBEXUELV-UHFFFAOYSA-N -1 3 317.755 3.602 20 0 DHADHM CSc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826231574 609272596 /nfs/dbraw/zinc/27/25/96/609272596.db2.gz QIUUEFNCWJKIHB-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826231574 609272598 /nfs/dbraw/zinc/27/25/98/609272598.db2.gz QIUUEFNCWJKIHB-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM Cc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826289605 609272917 /nfs/dbraw/zinc/27/29/17/609272917.db2.gz GSYZBFLEXDRYFA-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826289605 609272919 /nfs/dbraw/zinc/27/29/19/609272919.db2.gz GSYZBFLEXDRYFA-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM c1sc2ccccc2c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826516627 609441218 /nfs/dbraw/zinc/44/12/18/609441218.db2.gz TVALOIFVJBYLIW-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1sc2ccccc2c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826516627 609441219 /nfs/dbraw/zinc/44/12/19/609441219.db2.gz TVALOIFVJBYLIW-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM CSc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000826230808 609482197 /nfs/dbraw/zinc/48/21/97/609482197.db2.gz KNAGZESTHWOCSX-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826230808 609482199 /nfs/dbraw/zinc/48/21/99/609482199.db2.gz KNAGZESTHWOCSX-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM Fc1cccc(F)c1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000826377054 609518018 /nfs/dbraw/zinc/51/80/18/609518018.db2.gz CHHBLPVYNMNWFQ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(F)c1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000826377054 609518021 /nfs/dbraw/zinc/51/80/21/609518021.db2.gz CHHBLPVYNMNWFQ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM CCC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825242539 609521851 /nfs/dbraw/zinc/52/18/51/609521851.db2.gz UMXWPOCOAZTZOF-AWEZNQCLSA-N -1 3 308.389 3.523 20 0 DHADHM CCC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825242539 609521854 /nfs/dbraw/zinc/52/18/54/609521854.db2.gz UMXWPOCOAZTZOF-AWEZNQCLSA-N -1 3 308.389 3.523 20 0 DHADHM Cc1ccnc(N[C@@H]2CC[C@H](C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826312689 609579646 /nfs/dbraw/zinc/57/96/46/609579646.db2.gz LOYHJNAYUHZUNN-XHDPSFHLSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccnc(N[C@@H]2CC[C@H](C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826312689 609579648 /nfs/dbraw/zinc/57/96/48/609579648.db2.gz LOYHJNAYUHZUNN-XHDPSFHLSA-N -1 3 320.400 3.621 20 0 DHADHM C[C@@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]1C ZINC001165051581 721997406 /nfs/dbraw/zinc/99/74/06/721997406.db2.gz HVHNLRQDRKOSGB-SFYZADRCSA-N -1 3 307.797 3.588 20 0 DHADHM CCC(CC)n1ccc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000322152267 970853419 /nfs/dbraw/zinc/85/34/19/970853419.db2.gz LGAGYKFHEFUKPZ-AWEZNQCLSA-N -1 3 321.465 3.567 20 0 DHADHM CC(C)c1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001574419311 948780666 /nfs/dbraw/zinc/78/06/66/948780666.db2.gz ALOLAENMVQSFHQ-UHFFFAOYSA-N -1 3 311.414 3.677 20 0 DHADHM CC(C)c1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001574419311 948780675 /nfs/dbraw/zinc/78/06/75/948780675.db2.gz ALOLAENMVQSFHQ-UHFFFAOYSA-N -1 3 311.414 3.677 20 0 DHADHM C[C@@]1(c2ccccc2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575856859 949253592 /nfs/dbraw/zinc/25/35/92/949253592.db2.gz KSJCWDAFLVXLAF-SFHVURJKSA-N -1 3 323.375 3.521 20 0 DHADHM C[C@@]1(c2ccccc2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575856859 949253616 /nfs/dbraw/zinc/25/36/16/949253616.db2.gz KSJCWDAFLVXLAF-SFHVURJKSA-N -1 3 323.375 3.521 20 0 DHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2nc3cc(C)ccc3s2)C1 ZINC001589606476 949287374 /nfs/dbraw/zinc/28/73/74/949287374.db2.gz QVBPTZRLDCBPQF-KRWDZBQOSA-N -1 3 318.442 3.682 20 0 DHADHM C[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C[C@H]1C(=O)[O-] ZINC000567352080 953631751 /nfs/dbraw/zinc/63/17/51/953631751.db2.gz NXPBFNFDCNXBQQ-XJKSGUPXSA-N -1 3 315.369 3.615 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000047454291 1013117209 /nfs/dbraw/zinc/11/72/09/1013117209.db2.gz MFLRTZSRXBPUJB-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM CC(C)Oc1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC000903677746 956857235 /nfs/dbraw/zinc/85/72/35/956857235.db2.gz VDSVYBZPEONLFQ-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM CSCc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1 ZINC000903688036 956867436 /nfs/dbraw/zinc/86/74/36/956867436.db2.gz QGSOWMMVUXEZMO-UHFFFAOYSA-N -1 3 307.440 3.599 20 0 DHADHM C[C@](NCc1ccc(Cl)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000041729870 957392367 /nfs/dbraw/zinc/39/23/67/957392367.db2.gz QXWKSBJNWHFTQB-MRXNPFEDSA-N -1 3 307.752 3.569 20 0 DHADHM CC[C@](NCc1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000063151715 957637126 /nfs/dbraw/zinc/63/71/26/957637126.db2.gz VCPHGJQUWBDSDR-OAHLLOKOSA-N -1 3 309.818 3.881 20 0 DHADHM Cc1ccc2ncc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC001594385178 958655313 /nfs/dbraw/zinc/65/53/13/958655313.db2.gz HNWOERGPDSZBGD-GOSISDBHSA-N -1 3 324.355 3.598 20 0 DHADHM Cc1cccc([C@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])c1 ZINC001594398542 958805614 /nfs/dbraw/zinc/80/56/14/958805614.db2.gz XMTNDBCXUQGOMA-HNNXBMFYSA-N -1 3 321.323 3.512 20 0 DHADHM CN(C)C(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1F ZINC001211855714 1013477163 /nfs/dbraw/zinc/47/71/63/1013477163.db2.gz FNULNURCKRPZAD-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000340328055 1013498324 /nfs/dbraw/zinc/49/83/24/1013498324.db2.gz MHJNYJDVPBNNMM-LLVKDONJSA-N -1 3 308.765 3.783 20 0 DHADHM COc1ccccc1[C@@H](NCc1ccc(Cl)cc1C)C(=O)[O-] ZINC000426769206 1013502408 /nfs/dbraw/zinc/50/24/08/1013502408.db2.gz GWNRVKDMKZSZJB-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000129302889 1013549943 /nfs/dbraw/zinc/54/99/43/1013549943.db2.gz KOSWQCQJDYRMTB-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(C(=O)Nc2c(C)cccc2OC(F)F)c([O-])c1 ZINC000102258638 1013749602 /nfs/dbraw/zinc/74/96/02/1013749602.db2.gz GJFWAOIQNRHRBJ-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)CC[C@H]1C(=O)[O-] ZINC000625970640 968513736 /nfs/dbraw/zinc/51/37/36/968513736.db2.gz WLISMKNELBAUKA-CZUORRHYSA-N -1 3 315.369 3.615 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)C3CC3)nc(=O)c2c1C ZINC000748149535 1014036389 /nfs/dbraw/zinc/03/63/89/1014036389.db2.gz HNUHGBFBDZGGHW-DTWKUNHWSA-N -1 3 320.414 3.664 20 0 DHADHM CC(C)c1nc2ccc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855488 1014073417 /nfs/dbraw/zinc/07/34/17/1014073417.db2.gz QLWLEBALVYQFBV-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM CCOC(=O)c1sc(C)nc1Nc1cccc([O-])c1Cl ZINC001210855499 1014073941 /nfs/dbraw/zinc/07/39/41/1014073941.db2.gz RMALYHKBWDWKHP-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM COCCCN(c1ccccc1N)c1cccc([O-])c1Cl ZINC001210859737 1014074597 /nfs/dbraw/zinc/07/45/97/1014074597.db2.gz LXGRPVQHFVOBAL-UHFFFAOYSA-N -1 3 306.793 3.802 20 0 DHADHM CC[C@H]1CC[C@@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563281561 974526165 /nfs/dbraw/zinc/52/61/65/974526165.db2.gz CIAIRQRVKDRXTB-WBMJQRKESA-N -1 3 314.385 3.803 20 0 DHADHM CCCCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(C)C ZINC000564804577 974553907 /nfs/dbraw/zinc/55/39/07/974553907.db2.gz YQFPAEDNGIRQCX-HOTGVXAUSA-N -1 3 323.433 3.702 20 0 DHADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(C)C ZINC000566803005 974621958 /nfs/dbraw/zinc/62/19/58/974621958.db2.gz QXLMXVIWUHIPQG-HUUCEWRRSA-N -1 3 323.433 3.702 20 0 DHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2oncc2C(=O)[O-])cc1 ZINC000567359503 974633118 /nfs/dbraw/zinc/63/31/18/974633118.db2.gz XGYSHTQKCWTJKR-GUYCJALGSA-N -1 3 314.385 3.654 20 0 DHADHM C[C@@H](CN(C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000568062589 974658117 /nfs/dbraw/zinc/65/81/17/974658117.db2.gz IXSPFSGYUWCYIX-QWRGUYRKSA-N -1 3 322.792 3.709 20 0 DHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000568067193 974659365 /nfs/dbraw/zinc/65/93/65/974659365.db2.gz OQCOCKQTWMQILE-CHWSQXEVSA-N -1 3 316.426 3.528 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC000571097436 974723830 /nfs/dbraw/zinc/72/38/30/974723830.db2.gz VYIBYRFWMAFFCQ-JTQLQIEISA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H](CN(C)Cc1c(Cl)cccc1C(=O)[O-])c1nccs1 ZINC000581613003 974913035 /nfs/dbraw/zinc/91/30/35/974913035.db2.gz NXPMDJPUZRHBFD-JTQLQIEISA-N -1 3 324.833 3.730 20 0 DHADHM CN(Cc1c(Br)cccc1C(=O)[O-])C1CCCC1 ZINC000652383066 975516898 /nfs/dbraw/zinc/51/68/98/975516898.db2.gz SIQAHCFETGXWPJ-UHFFFAOYSA-N -1 3 312.207 3.522 20 0 DHADHM CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598132 1014356223 /nfs/dbraw/zinc/35/62/23/1014356223.db2.gz JJLQLCYFNGJOOV-VIFPVBQESA-N -1 3 310.246 3.769 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1C(F)(F)F ZINC000827717325 978964083 /nfs/dbraw/zinc/96/40/83/978964083.db2.gz GMMRDFMMMHISKY-YGRLFVJLSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@H](COc1ccccc1)NCc1cc(C(=O)[O-])ccc1Cl ZINC001592782048 979416837 /nfs/dbraw/zinc/41/68/37/979416837.db2.gz BNKMTALKWKRYCR-GFCCVEGCSA-N -1 3 319.788 3.595 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000859803480 979635491 /nfs/dbraw/zinc/63/54/91/979635491.db2.gz BTMODHUGKCXXSN-OAHLLOKOSA-N -1 3 303.358 3.570 20 0 DHADHM CSc1ccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128426289 1014616897 /nfs/dbraw/zinc/61/68/97/1014616897.db2.gz CGINRUJOQZRUGW-SNVBAGLBSA-N -1 3 321.373 3.659 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000872164284 980058300 /nfs/dbraw/zinc/05/83/00/980058300.db2.gz RKAFAIKYDIMDNM-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874045644 980167490 /nfs/dbraw/zinc/16/74/90/980167490.db2.gz AODMISKFWUPJGN-PHIMTYICSA-N -1 3 313.850 3.793 20 0 DHADHM CC[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000901629141 980412441 /nfs/dbraw/zinc/41/24/41/980412441.db2.gz XCKSFILZZQMWSO-DNVCBOLYSA-N -1 3 309.409 3.864 20 0 DHADHM CC[C@](NCc1ccc(C)nc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300425 980434219 /nfs/dbraw/zinc/43/42/19/980434219.db2.gz PYSZIRDWVXWKAE-QGZVFWFLSA-N -1 3 318.804 3.523 20 0 DHADHM C[C@@H](NC[C@@]1(C)C[C@@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000901907337 980620381 /nfs/dbraw/zinc/62/03/81/980620381.db2.gz FPTGXTSSWOXZPB-CJBNDPTMSA-N -1 3 316.426 3.686 20 0 DHADHM C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901911329 980623552 /nfs/dbraw/zinc/62/35/52/980623552.db2.gz JQMRALVTICESNH-YUTCNCBUSA-N -1 3 316.426 3.828 20 0 DHADHM C[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000901911468 980623608 /nfs/dbraw/zinc/62/36/08/980623608.db2.gz LMOKGDYOKVVILF-VHSXEESVSA-N -1 3 324.833 3.949 20 0 DHADHM CC[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901911449 980623689 /nfs/dbraw/zinc/62/36/89/980623689.db2.gz LBLLYZTTWMNXMD-RYUDHWBXSA-N -1 3 304.415 3.686 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000902015444 980693065 /nfs/dbraw/zinc/69/30/65/980693065.db2.gz IYNGFRZKDVZQAN-NOZJJQNGSA-N -1 3 319.298 3.530 20 0 DHADHM Cc1cc(CNC[C@H](C)Sc2ccccc2)oc1C(=O)[O-] ZINC000902317370 980829715 /nfs/dbraw/zinc/82/97/15/980829715.db2.gz NLSLLBPXMCGRJG-LBPRGKRZSA-N -1 3 305.399 3.557 20 0 DHADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)CC1(c2ccccc2)CC1 ZINC000902359942 980852225 /nfs/dbraw/zinc/85/22/25/980852225.db2.gz QGIHUKFUEGLCMC-KTKRTIGZSA-N -1 3 311.381 3.541 20 0 DHADHM CC(C)n1cc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC000902566004 980935464 /nfs/dbraw/zinc/93/54/64/980935464.db2.gz RULAVKWNSGIWSQ-SFHVURJKSA-N -1 3 323.396 3.533 20 0 DHADHM CC[C@H](C)[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000903601076 980983030 /nfs/dbraw/zinc/98/30/30/980983030.db2.gz FDHHQTBRGDQMOQ-XPTSAGLGSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000903897963 981027447 /nfs/dbraw/zinc/02/74/47/981027447.db2.gz LUIPMVMGAWVPBP-NXEZZACHSA-N -1 3 312.207 3.520 20 0 DHADHM C[C@@H](c1ccccc1F)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923944 981040876 /nfs/dbraw/zinc/04/08/76/981040876.db2.gz FAVWLQXPWRXHMI-WDEREUQCSA-N -1 3 320.389 3.531 20 0 DHADHM Cc1cc(C)cc(C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)c1 ZINC000903962748 981078618 /nfs/dbraw/zinc/07/86/18/981078618.db2.gz UBDWNUUFDRCMSS-UHFFFAOYSA-N -1 3 324.424 3.776 20 0 DHADHM CC[C@@H]1CCC[C@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595441193 981078949 /nfs/dbraw/zinc/07/89/49/981078949.db2.gz ODTJTCGERROKRT-MLGOLLRUSA-N -1 3 314.385 3.708 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)c2ccccc21 ZINC000521751588 1014784559 /nfs/dbraw/zinc/78/45/59/1014784559.db2.gz JHKWQWVYYZAPJT-NSHDSACASA-N -1 3 324.359 3.641 20 0 DHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)c(C)c1 ZINC000656571374 1014880224 /nfs/dbraw/zinc/88/02/24/1014880224.db2.gz ALFVQKGDKKXJEC-INIZCTEOSA-N -1 3 319.426 3.761 20 0 DHADHM CCCN(Cc1ccsc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001595887842 982916237 /nfs/dbraw/zinc/91/62/37/982916237.db2.gz FPMMFPPRLAEILH-UHFFFAOYSA-N -1 3 307.390 3.998 20 0 DHADHM C/C(=C/c1ccccc1C(F)(F)F)CN1CC(C)(C(=O)[O-])C1 ZINC001589004099 984960677 /nfs/dbraw/zinc/96/06/77/984960677.db2.gz XHPXHOQBNLJRSF-XFFZJAGNSA-N -1 3 313.319 3.515 20 0 DHADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC[C@@H](CCF)C1 ZINC000656764298 1015133695 /nfs/dbraw/zinc/13/36/95/1015133695.db2.gz XBVUMQYOSNBSBS-IINYFYTJSA-N -1 3 317.763 3.676 20 0 DHADHM CCCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656763793 1015136288 /nfs/dbraw/zinc/13/62/88/1015136288.db2.gz IBYGNNDFHIAYPS-ILXRZTDVSA-N -1 3 322.474 3.561 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@]34C[C@@H]3CCCC4)nc2)n1 ZINC000895427539 1015142420 /nfs/dbraw/zinc/14/24/20/1015142420.db2.gz OBKQUUIEGVFNSJ-IFXJQAMLSA-N -1 3 324.428 3.799 20 0 DHADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2ccccc2[C@H](C)C1 ZINC001594499534 985667745 /nfs/dbraw/zinc/66/77/45/985667745.db2.gz NVAHEVNQBSTSPK-NEPJUHHUSA-N -1 3 316.426 3.564 20 0 DHADHM Cc1[nH]c2ccc(CN[C@H](C)c3cncc(C(=O)[O-])c3)cc2c1C ZINC001599965275 985891586 /nfs/dbraw/zinc/89/15/86/985891586.db2.gz VDXFKSHMNHMFML-CYBMUJFWSA-N -1 3 323.396 3.729 20 0 DHADHM Cc1oc(C(C)(C)C)cc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000895542143 1015196697 /nfs/dbraw/zinc/19/66/97/1015196697.db2.gz DKIZGKCWIZCXGY-UHFFFAOYSA-N -1 3 317.433 3.714 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2c3ccccc3CC[C@@H]2F)c1F ZINC000895690508 1015257522 /nfs/dbraw/zinc/25/75/22/1015257522.db2.gz IFCYPZBYYOODTA-YOEHRIQHSA-N -1 3 307.315 3.786 20 0 DHADHM C[C@@H](C(=O)[O-])N(Cc1ccc(F)c(Cl)c1Cl)C1CCC1 ZINC001589487101 987043477 /nfs/dbraw/zinc/04/34/77/987043477.db2.gz QQHAXRWKOYCYPF-QMMMGPOBSA-N -1 3 320.191 3.960 20 0 DHADHM C[C@H](CN(C)Cc1cccc(C(=O)[O-])c1Cl)c1nccs1 ZINC000581731766 1015277069 /nfs/dbraw/zinc/27/70/69/1015277069.db2.gz OLDGGKYGBFMXEN-SNVBAGLBSA-N -1 3 324.833 3.730 20 0 DHADHM CC[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597349787 987488969 /nfs/dbraw/zinc/48/89/69/987488969.db2.gz ZKJAQRBOQHTLEE-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CSc1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599812723 988365769 /nfs/dbraw/zinc/36/57/69/988365769.db2.gz AITNYRJDGZPDQQ-UHFFFAOYSA-N -1 3 305.374 3.536 20 0 DHADHM CSc1ccc(CNCc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc1 ZINC001599813265 988376040 /nfs/dbraw/zinc/37/60/40/988376040.db2.gz NQRNFHLLNBNPHO-UHFFFAOYSA-N -1 3 318.442 3.848 20 0 DHADHM CCc1cnccc1[C@H](C)NCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001597636763 988618788 /nfs/dbraw/zinc/61/87/88/988618788.db2.gz JXCJRLBDNOGECH-AWEZNQCLSA-N -1 3 324.424 3.611 20 0 DHADHM C[C@@H](NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(Cl)cc1Cl ZINC001599841591 988846531 /nfs/dbraw/zinc/84/65/31/988846531.db2.gz URYVTDYXQQRDLA-CGYDSVCVSA-N -1 3 324.154 3.610 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(C)=C(c2ccco2)C1 ZINC001597763479 989207379 /nfs/dbraw/zinc/20/73/79/989207379.db2.gz XTRVEMNAGHSENX-UHFFFAOYSA-N -1 3 315.369 3.813 20 0 DHADHM CCc1oc(CNCCSCc2ccccc2)cc1C(=O)[O-] ZINC001597805302 989413127 /nfs/dbraw/zinc/41/31/27/989413127.db2.gz CRBDVORGDNJJJZ-UHFFFAOYSA-N -1 3 319.426 3.563 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](Cc3nccs3)C2)c1F ZINC000896535303 1015622554 /nfs/dbraw/zinc/62/25/54/1015622554.db2.gz KVKWJJRMTUACBC-NSHDSACASA-N -1 3 324.396 3.582 20 0 DHADHM C[C@H]1CCC[C@H](C)N(Cc2ncc(Br)cc2[O-])C1 ZINC001204776501 1015623692 /nfs/dbraw/zinc/62/36/92/1015623692.db2.gz OQOGMMLWZQWXKW-QWRGUYRKSA-N -1 3 313.239 3.560 20 0 DHADHM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCS1 ZINC001591093305 991656275 /nfs/dbraw/zinc/65/62/75/991656275.db2.gz OUVGKKZZPWSQHJ-ZIAGYGMSSA-N -1 3 313.850 3.539 20 0 DHADHM CC(C)C[C@H](NCc1ccc(C(=O)[O-])cn1)c1cccs1 ZINC001591184247 991987582 /nfs/dbraw/zinc/98/75/82/991987582.db2.gz TZGFNVBNHDZXDN-AWEZNQCLSA-N -1 3 304.415 3.718 20 0 DHADHM CN(Cc1cc(C(=O)[O-])ccc1F)C(C)(C)c1ccccc1 ZINC001598507116 992519072 /nfs/dbraw/zinc/51/90/72/992519072.db2.gz MJDIMAYHMZPGOG-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CN(Cc1ncc(C(=O)[O-])s1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598538344 992867890 /nfs/dbraw/zinc/86/78/90/992867890.db2.gz QEYGVORKPDTSDK-KBPBESRZSA-N -1 3 316.426 3.609 20 0 DHADHM O=C(CCCc1ccc2c(c1)CCCC2)[N-]OCc1ccccn1 ZINC001141946501 1015795610 /nfs/dbraw/zinc/79/56/10/1015795610.db2.gz RKDUGHMDSHEMBP-UHFFFAOYSA-N -1 3 324.424 3.531 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(C2CCC2)CCC1 ZINC000458206958 1015823425 /nfs/dbraw/zinc/82/34/25/1015823425.db2.gz IQTNHTJVTWWLJJ-UHFFFAOYSA-N -1 3 305.393 3.693 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC001593190867 994129008 /nfs/dbraw/zinc/12/90/08/994129008.db2.gz XSXSFEFNVQRPFV-NOZJJQNGSA-N -1 3 312.291 3.510 20 0 DHADHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000341897519 1015839494 /nfs/dbraw/zinc/83/94/94/1015839494.db2.gz CTGKXGPWTOEWIC-CQSZACIVSA-N -1 3 302.399 3.543 20 0 DHADHM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cc(O)cc(F)c1 ZINC001593203845 994191492 /nfs/dbraw/zinc/19/14/92/994191492.db2.gz IJQKEHJDMGQMPG-SJKOYZFVSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@@H]([NH2+][C@H](CCC(=O)[O-])c1ccccc1)c1cc([O-])cc(F)c1 ZINC001593203845 994191497 /nfs/dbraw/zinc/19/14/97/994191497.db2.gz IJQKEHJDMGQMPG-SJKOYZFVSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H](N[C@@H]1CCCc2c(F)cccc21)c1cncc(C(=O)[O-])c1 ZINC001593217816 994276660 /nfs/dbraw/zinc/27/66/60/994276660.db2.gz CEEOKPIUBALYRH-APPDUMDISA-N -1 3 314.360 3.647 20 0 DHADHM CC(C)[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)Nc1ccccc1 ZINC001593246907 994460249 /nfs/dbraw/zinc/46/02/49/994460249.db2.gz PIBQWFLBTJAOMP-XJKSGUPXSA-N -1 3 316.401 3.765 20 0 DHADHM C[C@H](NCC1(c2ccc(F)cc2F)CC1)c1cc(C(=O)[O-])co1 ZINC001593251723 994499348 /nfs/dbraw/zinc/49/93/48/994499348.db2.gz KPSXXJPQWRKEHQ-JTQLQIEISA-N -1 3 321.323 3.638 20 0 DHADHM C[C@@H](NCC1(c2ccc(F)cc2F)CC1)c1cc(C(=O)[O-])co1 ZINC001593251724 994499624 /nfs/dbraw/zinc/49/96/24/994499624.db2.gz KPSXXJPQWRKEHQ-SNVBAGLBSA-N -1 3 321.323 3.638 20 0 DHADHM C[C@@H](NC[C@H](C)Oc1ccc(Cl)cc1)c1cc(C(=O)[O-])co1 ZINC001593285430 994635569 /nfs/dbraw/zinc/63/55/69/994635569.db2.gz FCLOEXAPSUXLQF-WDEREUQCSA-N -1 3 323.776 3.749 20 0 DHADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001593289351 994662130 /nfs/dbraw/zinc/66/21/30/994662130.db2.gz QTOFIVINYUUZPF-VIFPVBQESA-N -1 3 312.291 3.583 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1csc2ccccc21 ZINC001593297515 994704155 /nfs/dbraw/zinc/70/41/55/994704155.db2.gz WWRFGRMKNBBIGA-NSHDSACASA-N -1 3 314.410 3.789 20 0 DHADHM C[C@@H](NCc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298253 994711028 /nfs/dbraw/zinc/71/10/28/994711028.db2.gz GPGXSGYHFHPILS-GFCCVEGCSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593305624 994766523 /nfs/dbraw/zinc/76/65/23/994766523.db2.gz YSIVTHZMGVATIY-LLVKDONJSA-N -1 3 321.779 3.957 20 0 DHADHM C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc(C(=O)[O-])cs1 ZINC001593354710 994996644 /nfs/dbraw/zinc/99/66/44/994996644.db2.gz XDGMCKVHAOULAG-ZWNOBZJWSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001593690511 996135903 /nfs/dbraw/zinc/13/59/03/996135903.db2.gz RRAOSVGLSDMJGU-ZJUUUORDSA-N -1 3 305.296 3.703 20 0 DHADHM C[C@]1(C(=O)[O-])CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001593775792 996473093 /nfs/dbraw/zinc/47/30/93/996473093.db2.gz BYOQDUJKXVEECU-HNNXBMFYSA-N -1 3 316.228 3.723 20 0 DHADHM CC1(C)CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1(C)C ZINC001593940763 996954421 /nfs/dbraw/zinc/95/44/21/996954421.db2.gz RCIGVRWEVSPADW-LBPRGKRZSA-N -1 3 315.335 3.952 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(c3ccncc3)CC2)c([O-])c1 ZINC000277275984 1016130851 /nfs/dbraw/zinc/13/08/51/1016130851.db2.gz MZGGLZUUFLUVRJ-UHFFFAOYSA-N -1 3 324.424 3.930 20 0 DHADHM COc1ccc([C@@H](NCc2cc(C)cc(Cl)c2)C(=O)[O-])cc1 ZINC001599532092 997674583 /nfs/dbraw/zinc/67/45/83/997674583.db2.gz NCSUKZDDRUZIPB-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM CC1=C(C)CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001594110353 998208698 /nfs/dbraw/zinc/20/86/98/998208698.db2.gz USMCTHJYXCGXTN-AWEZNQCLSA-N -1 3 313.319 3.873 20 0 DHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000277434802 1016317782 /nfs/dbraw/zinc/31/77/82/1016317782.db2.gz UDNIKSGEAHSJQU-GFCCVEGCSA-N -1 3 324.471 3.851 20 0 DHADHM CSC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000294763380 1032146999 /nfs/dbraw/zinc/14/69/99/1032146999.db2.gz XGBDOXZOWZFRCV-CYBMUJFWSA-N -1 3 307.459 3.731 20 0 DHADHM CSC[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000294763384 1032147272 /nfs/dbraw/zinc/14/72/72/1032147272.db2.gz XGBDOXZOWZFRCV-ZDUSSCGKSA-N -1 3 307.459 3.731 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000622449732 1016419381 /nfs/dbraw/zinc/41/93/81/1016419381.db2.gz ZKXCYJJZRYCYCU-CYBMUJFWSA-N -1 3 313.397 3.582 20 0 DHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1ccccc1[O-])CC2 ZINC000622497027 1016428232 /nfs/dbraw/zinc/42/82/32/1016428232.db2.gz LPVSDKYMIJOKOI-UHFFFAOYSA-N -1 3 309.409 3.888 20 0 DHADHM Cc1oc(CN2CCC[C@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000563282116 1016498830 /nfs/dbraw/zinc/49/88/30/1016498830.db2.gz FPDBXCRTYMKOHE-SCOAYWHSSA-N -1 3 311.381 3.964 20 0 DHADHM Cc1ccc(-c2nc(CN[C@H](C)CCCC(=O)[O-])cs2)cc1 ZINC000277545455 1016581867 /nfs/dbraw/zinc/58/18/67/1016581867.db2.gz ZXEQAGBMOQYAGG-CYBMUJFWSA-N -1 3 318.442 3.852 20 0 DHADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])C1CCC(O)CC1 ZINC000346842649 1016600792 /nfs/dbraw/zinc/60/07/92/1016600792.db2.gz IRWQEVHARKCXTP-UHFFFAOYSA-N -1 3 311.809 3.561 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 ZINC000336864409 1016727296 /nfs/dbraw/zinc/72/72/96/1016727296.db2.gz NSHNCWCSIMTXKR-HNNXBMFYSA-N -1 3 314.385 3.561 20 0 DHADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623030441 1016839964 /nfs/dbraw/zinc/83/99/64/1016839964.db2.gz OXPMRBWWBMVTQS-SECBINFHSA-N -1 3 301.308 3.814 20 0 DHADHM O=C(COc1cccc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000174898852 1016844666 /nfs/dbraw/zinc/84/46/66/1016844666.db2.gz HAGZUSIYKIRWEG-UHFFFAOYSA-N -1 3 311.312 3.702 20 0 DHADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC000174874060 1016845699 /nfs/dbraw/zinc/84/56/99/1016845699.db2.gz CCRSMFMBNUPSIT-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)c2cccnc12 ZINC000174878590 1016845798 /nfs/dbraw/zinc/84/57/98/1016845798.db2.gz QCXZHWXQHATOCZ-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC001167581192 1016868987 /nfs/dbraw/zinc/86/89/87/1016868987.db2.gz YNZCPMWHTGGAQA-HOTGVXAUSA-N -1 3 315.800 3.968 20 0 DHADHM C[C@H]1C[C@H](CCSc2nc3c(cnn3C)c(=O)[n-]2)C[C@@H](C)C1 ZINC000629218361 1016875417 /nfs/dbraw/zinc/87/54/17/1016875417.db2.gz MDXHEFJWLNUJEU-GDNZZTSVSA-N -1 3 320.462 3.623 20 0 DHADHM CC(=O)c1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1[O-] ZINC000665580087 1016915735 /nfs/dbraw/zinc/91/57/35/1016915735.db2.gz LNSKDXFJOUSUFA-GFCCVEGCSA-N -1 3 309.365 3.576 20 0 DHADHM Cc1ccc(C(=O)N2CCC(c3ccccc3F)CC2)c([O-])c1 ZINC000522978895 1016916188 /nfs/dbraw/zinc/91/61/88/1016916188.db2.gz WINPHOCPZMKAJP-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM O=C1CCCCN1c1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC000892269248 1016994174 /nfs/dbraw/zinc/99/41/74/1016994174.db2.gz ZWUZCWCYTADBDW-UHFFFAOYSA-N -1 3 314.360 3.660 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000623464190 1017059166 /nfs/dbraw/zinc/05/91/66/1017059166.db2.gz OVQFVCXYBRXLSY-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000361970819 1032178403 /nfs/dbraw/zinc/17/84/03/1032178403.db2.gz AFLIDCLYMNMURL-DYVFJYSZSA-N -1 3 312.413 3.569 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)o1 ZINC001146543050 1032228524 /nfs/dbraw/zinc/22/85/24/1032228524.db2.gz NRJDYIYOGIGJRN-XHDPSFHLSA-N -1 3 303.333 3.585 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@H]4N3)n2)cc1F ZINC000322769287 1032234519 /nfs/dbraw/zinc/23/45/19/1032234519.db2.gz BOQBRRRZWSUIKJ-HONMWMINSA-N -1 3 317.364 3.565 20 0 DHADHM CCc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC001147923599 1032351691 /nfs/dbraw/zinc/35/16/91/1032351691.db2.gz FOCFPYKEVXEDEE-SFHVURJKSA-N -1 3 310.397 3.621 20 0 DHADHM CCN(CC)c1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001148277425 1032385399 /nfs/dbraw/zinc/38/53/99/1032385399.db2.gz PRPSTBQJHYULOJ-UHFFFAOYSA-N -1 3 302.349 3.630 20 0 DHADHM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc(C)cc3[O-])c2c1 ZINC001148503751 1032409737 /nfs/dbraw/zinc/40/97/37/1032409737.db2.gz DGVSEWPCXAVGCC-UHFFFAOYSA-N -1 3 308.381 3.763 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)c([O-])c1 ZINC001148504359 1032409993 /nfs/dbraw/zinc/40/99/93/1032409993.db2.gz MDPCYWBUKWKVEZ-INIZCTEOSA-N -1 3 317.335 3.956 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc3c2NC(=O)CC3(C)C)c([O-])c1 ZINC001148506195 1032411444 /nfs/dbraw/zinc/41/14/44/1032411444.db2.gz VUHWPCHBSSVDOX-UHFFFAOYSA-N -1 3 324.380 3.573 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1ccc(Cl)cc1C(F)(F)F ZINC001148945611 1032454633 /nfs/dbraw/zinc/45/46/33/1032454633.db2.gz GTGIJVCQUREUGW-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CCO[C@@H](CCNC(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC001148996590 1032456256 /nfs/dbraw/zinc/45/62/56/1032456256.db2.gz ISYDKLDSTYSECI-KRWDZBQOSA-N -1 3 307.434 3.697 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424421624 1012017591 /nfs/dbraw/zinc/01/75/91/1012017591.db2.gz RWZQJRNFBITMSY-RNCFNFMXSA-N -1 3 319.298 3.530 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424417902 1012018573 /nfs/dbraw/zinc/01/85/73/1012018573.db2.gz MINIGCRTCLEZNN-TVQRCGJNSA-N -1 3 319.298 3.530 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424415270 1012021316 /nfs/dbraw/zinc/02/13/16/1012021316.db2.gz IQWKOMJBMXMMFW-RNCFNFMXSA-N -1 3 319.298 3.530 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1scnc1C(F)(F)F ZINC000096749235 1032600246 /nfs/dbraw/zinc/60/02/46/1032600246.db2.gz VNGKHESTOMBTNH-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000424730780 1012119705 /nfs/dbraw/zinc/11/97/05/1012119705.db2.gz CZJRISRLRCJSAR-OAHLLOKOSA-N -1 3 315.388 3.725 20 0 DHADHM COc1cc(F)cc(CNc2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001171415681 1032616007 /nfs/dbraw/zinc/61/60/07/1032616007.db2.gz KQTQYBBDFUJBLY-UHFFFAOYSA-N -1 3 302.374 3.742 20 0 DHADHM COc1cccc(-c2nc(-c3cc4ccccc4o3)no2)c1[O-] ZINC000109037618 1012405026 /nfs/dbraw/zinc/40/50/26/1012405026.db2.gz LSQYPTOTZDOGHM-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM COc1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1[O-] ZINC000109036953 1012406961 /nfs/dbraw/zinc/40/69/61/1012406961.db2.gz RJVCLMDQCNZXAV-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1cc(Cl)ccc1[O-] ZINC000254917099 1012434426 /nfs/dbraw/zinc/43/44/26/1012434426.db2.gz OVPSIOUOHUSECL-KXFIGUGUSA-N -1 3 309.152 3.746 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1C ZINC000515474079 1012636496 /nfs/dbraw/zinc/63/64/96/1012636496.db2.gz KGBBRTLWCJDUPM-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000874476848 1032643625 /nfs/dbraw/zinc/64/36/25/1032643625.db2.gz JQZQWPXXQMLEMD-INIZCTEOSA-N -1 3 323.314 3.960 20 0 DHADHM CC1(C)C[C@@H](C(=O)Nc2cccc([O-])c2F)c2ccccc2O1 ZINC000515800438 1012726696 /nfs/dbraw/zinc/72/66/96/1012726696.db2.gz GIJRRYLEJIQMSD-GFCCVEGCSA-N -1 3 315.344 3.815 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000617386713 1012829920 /nfs/dbraw/zinc/82/99/20/1012829920.db2.gz KFJBKZJBQDKJDW-UHFFFAOYSA-N -1 3 317.410 3.727 20 0 DHADHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000350001951 1032678777 /nfs/dbraw/zinc/67/87/77/1032678777.db2.gz IOSYHXPCMWVURQ-KRWDZBQOSA-N -1 3 315.438 3.759 20 0 DHADHM CC1(C)CCC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646899086 1013009527 /nfs/dbraw/zinc/00/95/27/1013009527.db2.gz POAKXRFMWPVLMA-GFCCVEGCSA-N -1 3 301.308 3.720 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000623604937 1017122333 /nfs/dbraw/zinc/12/23/33/1017122333.db2.gz QGWQACHHBJNOFA-HNNXBMFYSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000623604938 1017123314 /nfs/dbraw/zinc/12/33/14/1017123314.db2.gz QGWQACHHBJNOFA-OAHLLOKOSA-N -1 3 321.380 3.554 20 0 DHADHM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458041 1017254504 /nfs/dbraw/zinc/25/45/04/1017254504.db2.gz OFWRPPFRJRCBBM-PIGZYNQJSA-N -1 3 319.788 3.539 20 0 DHADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(Br)n1 ZINC001213371080 1017323019 /nfs/dbraw/zinc/32/30/19/1017323019.db2.gz VVMQAUYILKOTKC-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2cnco2)cc1 ZINC000339007954 1032700841 /nfs/dbraw/zinc/70/08/41/1032700841.db2.gz XTRKOBOIXOEXCO-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM O=C(O[C@H]1CCOc2c(F)cccc21)c1cccc(Cl)c1[O-] ZINC001127709948 1017472005 /nfs/dbraw/zinc/47/20/05/1017472005.db2.gz VLHFGOCQBBWBMJ-ZDUSSCGKSA-N -1 3 322.719 3.865 20 0 DHADHM O=C([O-])C[C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC000038027654 1017519335 /nfs/dbraw/zinc/51/93/35/1017519335.db2.gz SFLKMCWLBIBDSX-CYBMUJFWSA-N -1 3 301.308 3.535 20 0 DHADHM CCCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523424654 1017683075 /nfs/dbraw/zinc/68/30/75/1017683075.db2.gz HSNWYTAMJFFTKP-UHFFFAOYSA-N -1 3 317.360 3.640 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC34CCCCC4)nc2)n1 ZINC000181266277 1017736871 /nfs/dbraw/zinc/73/68/71/1017736871.db2.gz LCGITGFAZHGHLS-OAHLLOKOSA-N -1 3 324.428 3.529 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000078901008 1017861127 /nfs/dbraw/zinc/86/11/27/1017861127.db2.gz UGSVOTIFWIMCML-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM CCOc1cc(-c2nc3ccccc3n2C)cc(Cl)c1[O-] ZINC000048878383 1017909058 /nfs/dbraw/zinc/90/90/58/1017909058.db2.gz GPHMSWMBAVMSLI-UHFFFAOYSA-N -1 3 302.761 3.998 20 0 DHADHM COc1ccc(CCCCCC(=O)Nc2ncccc2[O-])cc1 ZINC000524176543 1017913847 /nfs/dbraw/zinc/91/38/47/1017913847.db2.gz VWUFROWXCFVKTO-UHFFFAOYSA-N -1 3 314.385 3.537 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000625727513 1017959077 /nfs/dbraw/zinc/95/90/77/1017959077.db2.gz YYXYGZVITNYKAX-DZGCQCFKSA-N -1 3 313.372 3.858 20 0 DHADHM Fc1ccccc1[N-]c1nnc(S[C@H]2CCCOC2)s1 ZINC000674388940 1017978331 /nfs/dbraw/zinc/97/83/31/1017978331.db2.gz NSWGTQQUSCBBQS-VIFPVBQESA-N -1 3 311.407 3.692 20 0 DHADHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1ccc(Cl)cc1Cl)C2 ZINC000701480463 1018063288 /nfs/dbraw/zinc/06/32/88/1018063288.db2.gz PZLCANJKSNPYEK-ABAIWWIYSA-N -1 3 314.212 3.680 20 0 DHADHM CC(C)C(CNC(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000446320195 1018115688 /nfs/dbraw/zinc/11/56/88/1018115688.db2.gz IKTHXBGTZZASAO-UHFFFAOYSA-N -1 3 309.425 3.898 20 0 DHADHM O=C(OCc1ccc(C(F)F)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000764517412 1018303782 /nfs/dbraw/zinc/30/37/82/1018303782.db2.gz QOVPPRGCQBQDAG-UHFFFAOYSA-N -1 3 318.279 3.964 20 0 DHADHM O=C(OCc1ccc(C(F)F)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000764517412 1018303798 /nfs/dbraw/zinc/30/37/98/1018303798.db2.gz QOVPPRGCQBQDAG-UHFFFAOYSA-N -1 3 318.279 3.964 20 0 DHADHM C[C@]1(F)CCN(Cc2c(Cl)cc([O-])cc2Cl)C[C@H]1F ZINC001142105627 1018312281 /nfs/dbraw/zinc/31/22/81/1018312281.db2.gz HZQPDISGPVZRCL-OLZOCXBDSA-N -1 3 310.171 3.971 20 0 DHADHM Cn1cnc2cc(-c3nc4cc(Cl)ccc4c(=O)[n-]3)ccc21 ZINC000446993113 1018313145 /nfs/dbraw/zinc/31/31/45/1018313145.db2.gz XTRCYMYWWKDHOG-UHFFFAOYSA-N -1 3 310.744 3.543 20 0 DHADHM C[C@@]1(F)CCN(Cc2c(Cl)cc([O-])cc2Cl)C[C@H]1F ZINC001142105626 1018313927 /nfs/dbraw/zinc/31/39/27/1018313927.db2.gz HZQPDISGPVZRCL-CHWSQXEVSA-N -1 3 310.171 3.971 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1cscc1Br ZINC000417545929 1018320266 /nfs/dbraw/zinc/32/02/66/1018320266.db2.gz KXCSLHHGUNVHBN-SECBINFHSA-N -1 3 320.252 3.634 20 0 DHADHM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000278221994 1018392907 /nfs/dbraw/zinc/39/29/07/1018392907.db2.gz RAGZFUWXOFBWMA-OUAUKWLOSA-N -1 3 305.353 3.515 20 0 DHADHM Nc1cc(Br)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213386640 1018490917 /nfs/dbraw/zinc/49/09/17/1018490917.db2.gz MZRMZFCEAFIJIB-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Cl)s3)no2)c1 ZINC000384589564 1018491467 /nfs/dbraw/zinc/49/14/67/1018491467.db2.gz VFSPAQHGGPNKAW-UHFFFAOYSA-N -1 3 308.746 3.833 20 0 DHADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000447861119 1018491752 /nfs/dbraw/zinc/49/17/52/1018491752.db2.gz MZXBQKYXCNLPAW-QGZVFWFLSA-N -1 3 317.360 3.706 20 0 DHADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c2ccncc12 ZINC001213386873 1018497953 /nfs/dbraw/zinc/49/79/53/1018497953.db2.gz ZYYBKQAKOVWFPE-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM Cc1cccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c1C ZINC000115491868 1018564089 /nfs/dbraw/zinc/56/40/89/1018564089.db2.gz XVGXZZIFNTWABW-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000317870945 1018572199 /nfs/dbraw/zinc/57/21/99/1018572199.db2.gz XACAPPWHRTZMLT-LLVKDONJSA-N -1 3 301.342 3.527 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(-c2ccco2)s1 ZINC000675746230 1018577437 /nfs/dbraw/zinc/57/74/37/1018577437.db2.gz ATFCTVCPSJOHHO-UHFFFAOYSA-N -1 3 317.395 3.989 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000132938522 1018859119 /nfs/dbraw/zinc/85/91/19/1018859119.db2.gz ANHIIYLXLQKMPU-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM O=C(Nc1ccc2c(c1)OCO2)c1cc([O-])c2ccccc2c1 ZINC000471558789 1018863267 /nfs/dbraw/zinc/86/32/67/1018863267.db2.gz LKEIYCKSVAZBIY-UHFFFAOYSA-N -1 3 307.305 3.526 20 0 DHADHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000006919654 1018985127 /nfs/dbraw/zinc/98/51/27/1018985127.db2.gz VTPIFYVFYNPZIU-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000007053215 1018999299 /nfs/dbraw/zinc/99/92/99/1018999299.db2.gz NORFTOSVJQDNKK-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3Cl)n[n-]2)o1 ZINC000151737194 1019039007 /nfs/dbraw/zinc/03/90/07/1019039007.db2.gz VQZAPEAWMXQOKV-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000026874879 1019132464 /nfs/dbraw/zinc/13/24/64/1019132464.db2.gz UZCGXJNJNSLQED-NXEZZACHSA-N -1 3 322.257 3.850 20 0 DHADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000026874885 1019133551 /nfs/dbraw/zinc/13/35/51/1019133551.db2.gz UZCGXJNJNSLQED-VHSXEESVSA-N -1 3 322.257 3.850 20 0 DHADHM CCCc1nnc([N-]C(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000671664955 1019149726 /nfs/dbraw/zinc/14/97/26/1019149726.db2.gz JFDAAXLFQSPRRO-UHFFFAOYSA-N -1 3 321.349 3.823 20 0 DHADHM CC1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000356055835 1019161022 /nfs/dbraw/zinc/16/10/22/1019161022.db2.gz MYDJPYQGWOTUGL-UHFFFAOYSA-N -1 3 315.438 3.903 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000029046470 1019165040 /nfs/dbraw/zinc/16/50/40/1019165040.db2.gz GMRKVEDKSFXIAA-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000031030884 1019212491 /nfs/dbraw/zinc/21/24/91/1019212491.db2.gz LPSKDZLHJIACQM-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM O=C(Nc1nnc(C(F)F)s1)c1cc([O-])c2ccccc2c1 ZINC000471875967 1019249186 /nfs/dbraw/zinc/24/91/86/1019249186.db2.gz WTLWSGUVXYMFOI-UHFFFAOYSA-N -1 3 321.308 3.587 20 0 DHADHM CCc1cc(=O)[n-]c(CS[C@H]2CCc3ccc(F)cc32)n1 ZINC000477360061 1032819017 /nfs/dbraw/zinc/81/90/17/1032819017.db2.gz FLYYPOWDDXSFLU-AWEZNQCLSA-N -1 3 304.390 3.804 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(=Cc2cccc(F)c2)CC1 ZINC000042763429 1019306843 /nfs/dbraw/zinc/30/68/43/1019306843.db2.gz UTOOJQXJRIQIKR-UHFFFAOYSA-N -1 3 311.356 3.851 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2ccccc2O)no1 ZINC001212481669 1019428373 /nfs/dbraw/zinc/42/83/73/1019428373.db2.gz CJZRXTODWCQUBF-UHFFFAOYSA-N -1 3 304.252 3.775 20 0 DHADHM Nc1cc(Cl)c(Cl)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212484247 1019446737 /nfs/dbraw/zinc/44/67/37/1019446737.db2.gz SJXQLRZCPGJUHD-UHFFFAOYSA-N -1 3 306.099 3.698 20 0 DHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2ccccc2o1 ZINC000046757223 1019477700 /nfs/dbraw/zinc/47/77/00/1019477700.db2.gz WFGWVDYDOSXEIA-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM CCOc1ccc2cc(C(=O)Nc3cccc([O-])c3F)[nH]c2c1 ZINC000128301139 1019493110 /nfs/dbraw/zinc/49/31/10/1019493110.db2.gz JIPYKLVZLOWFLJ-UHFFFAOYSA-N -1 3 314.316 3.664 20 0 DHADHM CCc1cccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)c1[O-] ZINC000092599327 1019540278 /nfs/dbraw/zinc/54/02/78/1019540278.db2.gz DZWFZWNJZITEHY-UHFFFAOYSA-N -1 3 319.788 3.893 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccc(C)n2)c1[O-] ZINC000092759262 1019543611 /nfs/dbraw/zinc/54/36/11/1019543611.db2.gz SSZKJZCPZVXSKY-KRWDZBQOSA-N -1 3 310.397 3.635 20 0 DHADHM O=C(NCC(C1CC1)C1CC1)c1cc2sccc2c([O-])c1 ZINC001137090577 1032845945 /nfs/dbraw/zinc/84/59/45/1032845945.db2.gz NEAFEZJUBXOVMZ-UHFFFAOYSA-N -1 3 301.411 3.773 20 0 DHADHM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000526935441 1019738135 /nfs/dbraw/zinc/73/81/35/1019738135.db2.gz YMAFUOITQBAQSP-MSOLQXFVSA-N -1 3 321.351 3.970 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000163659417 1019739227 /nfs/dbraw/zinc/73/92/27/1019739227.db2.gz FXBVSWSLFBLQIX-SFHVURJKSA-N -1 3 318.392 3.563 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc([O-])c2ccccc2c1 ZINC000526935038 1019739378 /nfs/dbraw/zinc/73/93/78/1019739378.db2.gz PCGCUYKLNPGRJP-ZWKOTPCHSA-N -1 3 321.351 3.970 20 0 DHADHM CCc1cnccc1[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527461359 1019751197 /nfs/dbraw/zinc/75/11/97/1019751197.db2.gz JFSDEAYVWZYMCW-ZDUSSCGKSA-N -1 3 320.392 3.994 20 0 DHADHM CCc1cnccc1[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527461358 1019753075 /nfs/dbraw/zinc/75/30/75/1019753075.db2.gz JFSDEAYVWZYMCW-CYBMUJFWSA-N -1 3 320.392 3.994 20 0 DHADHM Cc1ccc(CCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000063809530 1019832112 /nfs/dbraw/zinc/83/21/12/1019832112.db2.gz CGFWXWOKHNJSDX-UHFFFAOYSA-N -1 3 324.384 3.725 20 0 DHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000064474674 1019861328 /nfs/dbraw/zinc/86/13/28/1019861328.db2.gz GDVSLVSRPJGCHD-UHFFFAOYSA-N -1 3 319.451 3.698 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000290718337 1019918049 /nfs/dbraw/zinc/91/80/49/1019918049.db2.gz LDBHKEWUMNVUBF-NSHDSACASA-N -1 3 321.726 3.849 20 0 DHADHM CC1CCC(N(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)CC1 ZINC000065903714 1019933028 /nfs/dbraw/zinc/93/30/28/1019933028.db2.gz SVNFGMHTRWEYPX-UHFFFAOYSA-N -1 3 324.424 3.711 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(C(F)F)cc1)c1cccs1 ZINC000131342415 1019948542 /nfs/dbraw/zinc/94/85/42/1019948542.db2.gz INMPDOLJSSXEPR-LBPRGKRZSA-N -1 3 311.353 3.991 20 0 DHADHM [O-]c1ccc(CNCc2nccc3c2CCCC3)cc1Cl ZINC000922329256 1020006616 /nfs/dbraw/zinc/00/66/16/1020006616.db2.gz VUJNUJXWCRNSMX-UHFFFAOYSA-N -1 3 302.805 3.609 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1Cc2cc(Cl)ccc2O1 ZINC000111210898 1020145547 /nfs/dbraw/zinc/14/55/47/1020145547.db2.gz KMZRDFAWUWZSAK-CQSZACIVSA-N -1 3 324.163 3.641 20 0 DHADHM CC[C@H](C)[C@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000264230320 1032881038 /nfs/dbraw/zinc/88/10/38/1032881038.db2.gz XVIJPCYTJKQDOB-STQMWFEESA-N -1 3 312.413 3.980 20 0 DHADHM O=C(Nc1ccc2[nH]cnc2c1)c1cc([O-])c2ccccc2c1 ZINC000352630995 1020301694 /nfs/dbraw/zinc/30/16/94/1020301694.db2.gz SOZPFPNCPHQELM-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM Cc1csc([C@H]2CCCCN2C(=O)c2c(C)cccc2[O-])n1 ZINC000625195628 1020407005 /nfs/dbraw/zinc/40/70/05/1020407005.db2.gz SGEHSRZCNCLECL-CYBMUJFWSA-N -1 3 316.426 3.833 20 0 DHADHM C[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000353054438 1020428439 /nfs/dbraw/zinc/42/84/39/1020428439.db2.gz XLQPHXLFTSGHGH-CYBMUJFWSA-N -1 3 306.365 3.774 20 0 DHADHM Cc1cccc(CO[N-]C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC001168634514 1020443290 /nfs/dbraw/zinc/44/32/90/1020443290.db2.gz SELBPCOHVMQCHZ-ZFWWWQNUSA-N -1 3 304.434 3.790 20 0 DHADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000685758231 1020458205 /nfs/dbraw/zinc/45/82/05/1020458205.db2.gz NFOOMAZPADDBAR-DOTOQJQBSA-N -1 3 301.773 3.506 20 0 DHADHM COc1ccc(CO[N-]C(=O)CCC2CCCCC2)cc1F ZINC000733998361 1020547019 /nfs/dbraw/zinc/54/70/19/1020547019.db2.gz USUJHPOZPYCOQG-UHFFFAOYSA-N -1 3 309.381 3.743 20 0 DHADHM CCc1ccc([C@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133098607 1020598732 /nfs/dbraw/zinc/59/87/32/1020598732.db2.gz XQIUUUWFXLLNFV-LBPRGKRZSA-N -1 3 301.361 3.514 20 0 DHADHM Cc1c2cccc(F)c2oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000674015373 1020638817 /nfs/dbraw/zinc/63/88/17/1020638817.db2.gz KKEHROADHMDONC-UHFFFAOYSA-N -1 3 303.264 3.977 20 0 DHADHM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1cc(Cl)c(Cl)[n-]1 ZINC000782627210 1020655078 /nfs/dbraw/zinc/65/50/78/1020655078.db2.gz IBPWYXKYVFWVPG-VIFPVBQESA-N -1 3 318.200 3.970 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1ccc(C(F)(F)F)cc1O ZINC001212630680 1032919281 /nfs/dbraw/zinc/91/92/81/1032919281.db2.gz GWYTWOWXFYDAKV-UHFFFAOYSA-N -1 3 304.655 3.909 20 0 DHADHM Cc1ccc2c(c1)CCCN2C(=O)c1cc([O-])ccc1Cl ZINC000235986352 1020754503 /nfs/dbraw/zinc/75/45/03/1020754503.db2.gz JHHIJBYKRRFGID-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211638369 1020823966 /nfs/dbraw/zinc/82/39/66/1020823966.db2.gz BEYSLORXUPIJEX-UWVGGRQHSA-N -1 3 322.257 3.708 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000034775128 1020926368 /nfs/dbraw/zinc/92/63/68/1020926368.db2.gz QXNQGRMZQHLUIS-HNNXBMFYSA-N -1 3 317.772 3.729 20 0 DHADHM CCCC[C@@H](CC)CNC(=S)NCc1ccc([O-])c(F)c1 ZINC000737460756 1021095241 /nfs/dbraw/zinc/09/52/41/1021095241.db2.gz FFQGZGPRXXPEMQ-GFCCVEGCSA-N -1 3 312.454 3.712 20 0 DHADHM CC[C@@H](NC(=S)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000737460805 1021097937 /nfs/dbraw/zinc/09/79/37/1021097937.db2.gz XVILZWINYJHMKF-GFCCVEGCSA-N -1 3 324.446 3.708 20 0 DHADHM CC[C@H](C)Oc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000176166869 1021105525 /nfs/dbraw/zinc/10/55/25/1021105525.db2.gz HKUKSXQSIUATSX-LBPRGKRZSA-N -1 3 317.360 3.639 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000163659499 1021188689 /nfs/dbraw/zinc/18/86/89/1021188689.db2.gz FXBVSWSLFBLQIX-GOSISDBHSA-N -1 3 318.392 3.563 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(Cl)c1 ZINC001202247775 1021195189 /nfs/dbraw/zinc/19/51/89/1021195189.db2.gz JUOIYHPJYMNUBE-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM C[C@@H]1CCc2sc(C(=O)Nc3cccc([O-])c3F)cc2C1 ZINC000128287728 1021210758 /nfs/dbraw/zinc/21/07/58/1021210758.db2.gz HGOKTQVWDFXZBI-SECBINFHSA-N -1 3 305.374 3.970 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000743296939 1021255254 /nfs/dbraw/zinc/25/52/54/1021255254.db2.gz RKWKOZADKVQAEU-ICSRJNTNSA-N -1 3 307.393 3.529 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1 ZINC000743478326 1021299649 /nfs/dbraw/zinc/29/96/49/1021299649.db2.gz VDXZUMOKMVEIAD-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000618173014 1021312103 /nfs/dbraw/zinc/31/21/03/1021312103.db2.gz OOQZEFFGALNLRM-CQSZACIVSA-N -1 3 309.287 3.734 20 0 DHADHM Cc1nc2ccccc2c(C(=O)Nc2cnccc2C2CC2)c1[O-] ZINC001149189907 1021340064 /nfs/dbraw/zinc/34/00/64/1021340064.db2.gz BQUDKZPEAKJFOW-UHFFFAOYSA-N -1 3 319.364 3.774 20 0 DHADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)C(=O)c1cccc(F)c1 ZINC000128885757 1021367977 /nfs/dbraw/zinc/36/79/77/1021367977.db2.gz COFAWPAJDNKFPY-SNVBAGLBSA-N -1 3 319.307 3.518 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000337409887 1032975251 /nfs/dbraw/zinc/97/52/51/1032975251.db2.gz VMFKZPKQGJCUGX-MNOVXSKESA-N -1 3 323.179 3.836 20 0 DHADHM CC[C@H](C)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000628431387 1021447011 /nfs/dbraw/zinc/44/70/11/1021447011.db2.gz VHJCCINPEWUEBK-NSHDSACASA-N -1 3 311.385 3.825 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)/C=C/C(C)(C)C)c2)n1 ZINC000744216628 1021473870 /nfs/dbraw/zinc/47/38/70/1021473870.db2.gz BYLDPRBJADXLFP-CMDGGOBGSA-N -1 3 312.369 3.665 20 0 DHADHM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc([O-])ccc1Cl ZINC000278808390 1021477090 /nfs/dbraw/zinc/47/70/90/1021477090.db2.gz QETJGKUVWCPPTB-IAOVAPTHSA-N -1 3 313.784 3.504 20 0 DHADHM Cc1cc(Br)ccc1C(=O)Nc1cccc([O-])c1F ZINC000129518222 1021503466 /nfs/dbraw/zinc/50/34/66/1021503466.db2.gz UVPKSMHZHTZRGJ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@@H](Oc3ccccc3)C2)oc1C(=O)[O-] ZINC000659801542 1021539878 /nfs/dbraw/zinc/53/98/78/1021539878.db2.gz GKLOAPMDRYHWLG-DZGCQCFKSA-N -1 3 315.369 3.501 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)/C=C\C3CC3)nc(=O)c2c1C ZINC000745558295 1021733436 /nfs/dbraw/zinc/73/34/36/1021733436.db2.gz XMVZYCPVALRODU-NMTCXDENSA-N -1 3 318.398 3.584 20 0 DHADHM O=C([O-])CCCCCCNCc1csc(-c2ccsc2)n1 ZINC000756282967 1021750626 /nfs/dbraw/zinc/75/06/26/1021750626.db2.gz VHDHBTHFWIMXBM-UHFFFAOYSA-N -1 3 324.471 3.996 20 0 DHADHM C[C@H](CC(=O)c1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000350408600 1021810577 /nfs/dbraw/zinc/81/05/77/1021810577.db2.gz CKPNGXMAYMTIIR-GFCCVEGCSA-N -1 3 323.348 3.530 20 0 DHADHM CCc1cccc(C(=O)N2CC(Cc3ccccc3C)C2)c1[O-] ZINC000085652330 1021945106 /nfs/dbraw/zinc/94/51/06/1021945106.db2.gz BVSOGKZANYXGFO-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM O=c1nc(-c2cccc(F)n2)[n-]c2sc(-c3ccccc3)cc21 ZINC000155138710 1021974006 /nfs/dbraw/zinc/97/40/06/1021974006.db2.gz LJEUKOGOZBZFMJ-UHFFFAOYSA-N -1 3 323.352 3.853 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000191191273 1022002107 /nfs/dbraw/zinc/00/21/07/1022002107.db2.gz OYIUGAQQGLTXFU-UHFFFAOYSA-N -1 3 318.398 3.623 20 0 DHADHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000620048085 1022027634 /nfs/dbraw/zinc/02/76/34/1022027634.db2.gz VGEASKKPEYLKHC-UWVGGRQHSA-N -1 3 307.868 3.506 20 0 DHADHM CCc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1F ZINC000804269870 1022087479 /nfs/dbraw/zinc/08/74/79/1022087479.db2.gz ZLUPIDRUEZLQHB-UHFFFAOYSA-N -1 3 317.364 3.568 20 0 DHADHM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153528348 1022091606 /nfs/dbraw/zinc/09/16/06/1022091606.db2.gz HWPSOJGQOYYMLL-UHFFFAOYSA-N -1 3 307.781 3.638 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000804296486 1022185086 /nfs/dbraw/zinc/18/50/86/1022185086.db2.gz GOXOQDYSCFFURX-DYVFJYSZSA-N -1 3 309.365 3.809 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000339117044 1022191115 /nfs/dbraw/zinc/19/11/15/1022191115.db2.gz YQRPAWIPCSPXNX-FARCUNLSSA-N -1 3 312.760 3.500 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(OC3CCC3)CC2)c([O-])c1 ZINC000416257554 1022216012 /nfs/dbraw/zinc/21/60/12/1022216012.db2.gz JZKKVFHGBLZPIG-UHFFFAOYSA-N -1 3 317.429 3.689 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(F)c1 ZINC000404913355 1022226815 /nfs/dbraw/zinc/22/68/15/1022226815.db2.gz JOMKRNOLNFTEJT-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153609747 1022229152 /nfs/dbraw/zinc/22/91/52/1022229152.db2.gz AHTCHLHKZITVBU-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM C[C@@H]1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)[C@@H]1C ZINC000174949780 1022271002 /nfs/dbraw/zinc/27/10/02/1022271002.db2.gz BUJACRADXAYDFK-CHWSQXEVSA-N -1 3 308.495 3.751 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1csc(Cl)n1 ZINC000853665849 1022311490 /nfs/dbraw/zinc/31/14/90/1022311490.db2.gz VOEUVFPGGGUGLP-UHFFFAOYSA-N -1 3 302.827 3.705 20 0 DHADHM O=C(Nc1ccc(SC(F)F)cc1)c1cccc2n[n-]nc21 ZINC000183286417 1022338710 /nfs/dbraw/zinc/33/87/10/1022338710.db2.gz PJIJAISHTIATRR-UHFFFAOYSA-N -1 3 320.324 3.525 20 0 DHADHM COC(=O)c1cc(Cl)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589266 1022359802 /nfs/dbraw/zinc/35/98/02/1022359802.db2.gz CUYXQYPBFOAAIZ-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cc(Nc2cc(N3CCCCC3)ncn2)ccc1Cl ZINC001212589626 1022370070 /nfs/dbraw/zinc/37/00/70/1022370070.db2.gz VYIYUJYWZWDOKB-UHFFFAOYSA-N -1 3 304.781 3.570 20 0 DHADHM COC(=O)c1nc(Cl)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212590642 1022432427 /nfs/dbraw/zinc/43/24/27/1022432427.db2.gz WWESUEFGXIKCLL-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM CC(C)(C)OC(=O)C(C)(C)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001169580371 1022465470 /nfs/dbraw/zinc/46/54/70/1022465470.db2.gz YCDYQTXSCJCEOQ-UHFFFAOYSA-N -1 3 321.204 3.626 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CCC[C@H]1c1ccccc1 ZINC000854581958 1022499303 /nfs/dbraw/zinc/49/93/03/1022499303.db2.gz XATMBGYRYMEWLJ-GJZGRUSLSA-N -1 3 321.380 3.791 20 0 DHADHM [O-]c1cccnc1CNc1cc(Cl)nc(-c2ccccc2)n1 ZINC001169727285 1022508849 /nfs/dbraw/zinc/50/88/49/1022508849.db2.gz UVAGRLJETHFIJK-UHFFFAOYSA-N -1 3 312.760 3.510 20 0 DHADHM O=c1ccccn1-c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212594385 1022529209 /nfs/dbraw/zinc/52/92/09/1022529209.db2.gz YICUWMNCFHIQEF-UHFFFAOYSA-N -1 3 312.756 3.940 20 0 DHADHM [O-]c1cc(Nc2cccc(F)c2N2CCOCC2)ccc1Cl ZINC001212595310 1022548455 /nfs/dbraw/zinc/54/84/55/1022548455.db2.gz NHXLJTXJWDCOQZ-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM CC1(C)C(=O)NCc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212595077 1022552499 /nfs/dbraw/zinc/55/24/99/1022552499.db2.gz GHGKZOSHZWLSEW-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM COC(=O)c1nc2cc(Nc3ccc(Cl)c([O-])c3)ccc2o1 ZINC001212595547 1022560950 /nfs/dbraw/zinc/56/09/50/1022560950.db2.gz YTSJINZTUHYSGZ-UHFFFAOYSA-N -1 3 318.716 3.717 20 0 DHADHM O=C(C[C@H]1OCCc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000115710472 1022568718 /nfs/dbraw/zinc/56/87/18/1022568718.db2.gz LLXISPLNLLLHJV-MRXNPFEDSA-N -1 3 317.772 3.688 20 0 DHADHM O=c1cc(CNc2ccccc2CC(F)(F)F)nc(C2CC2)[n-]1 ZINC000417043091 1022570268 /nfs/dbraw/zinc/57/02/68/1022570268.db2.gz XNPQQDFAIFYHSU-UHFFFAOYSA-N -1 3 323.318 3.777 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)CC(F)(F)F ZINC000621226183 1022651894 /nfs/dbraw/zinc/65/18/94/1022651894.db2.gz QMCQSJFJOWYNEW-UHFFFAOYSA-N -1 3 309.715 3.754 20 0 DHADHM CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC(F)(F)CC1 ZINC000621443784 1022757040 /nfs/dbraw/zinc/75/70/40/1022757040.db2.gz SQEWZNSQBYUFRN-UHFFFAOYSA-N -1 3 324.331 3.609 20 0 DHADHM CCCOc1c(C=Cc2nccc(=O)[n-]2)cccc1OCC ZINC000742221803 1022807752 /nfs/dbraw/zinc/80/77/52/1022807752.db2.gz TZCZNQJAWYTPPH-HJWRWDBZSA-N -1 3 300.358 3.540 20 0 DHADHM CC(C)Oc1cc(F)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001212289822 1022838860 /nfs/dbraw/zinc/83/88/60/1022838860.db2.gz HDSORUGPTHSMTJ-UHFFFAOYSA-N -1 3 303.337 3.730 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ncc(Cl)cc2Cl)n1 ZINC000776897824 1022879002 /nfs/dbraw/zinc/87/90/02/1022879002.db2.gz LFLBSYCJLODDDJ-UHFFFAOYSA-N -1 3 316.213 3.626 20 0 DHADHM C[C@H]1CCCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621869977 1022913226 /nfs/dbraw/zinc/91/32/26/1022913226.db2.gz UEXHUZYWTNRESW-JTQLQIEISA-N -1 3 301.308 3.816 20 0 DHADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000084689862 1022961192 /nfs/dbraw/zinc/96/11/92/1022961192.db2.gz GBHHVUPLVNRTEX-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM COc1cccc(-c2nc([C@@H]3CCCc4ccccc43)no2)c1[O-] ZINC000324798130 1022966179 /nfs/dbraw/zinc/96/61/79/1022966179.db2.gz MDRUMTYDIJVKPM-CQSZACIVSA-N -1 3 322.364 3.919 20 0 DHADHM COc1ccc(OC)c([C@@H](C)NCc2cccc([O-])c2Cl)c1 ZINC000294312949 1022978866 /nfs/dbraw/zinc/97/88/66/1022978866.db2.gz XLLYCNAPCFEGIU-LLVKDONJSA-N -1 3 321.804 3.914 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000622120776 1023036935 /nfs/dbraw/zinc/03/69/35/1023036935.db2.gz CQJINPJCETUDKC-HZMBPMFUSA-N -1 3 313.319 3.816 20 0 DHADHM [O-]c1cc(CN2CC(c3ccccc3)C2)ccc1Br ZINC001236699017 1023064627 /nfs/dbraw/zinc/06/46/27/1023064627.db2.gz PYPRTQZDEDCIDY-UHFFFAOYSA-N -1 3 318.214 3.754 20 0 DHADHM O=C1c2cccc([O-])c2C/C1=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000181422828 1023087914 /nfs/dbraw/zinc/08/79/14/1023087914.db2.gz JCWGIJOHPWJJPP-UXBLZVDNSA-N -1 3 315.712 3.776 20 0 DHADHM COc1cc(F)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622299915 1023106710 /nfs/dbraw/zinc/10/67/10/1023106710.db2.gz SWAUZCVJPJEYTK-UHFFFAOYSA-N -1 3 315.344 3.671 20 0 DHADHM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)c(CN(C)C)c1 ZINC000769857590 1023218499 /nfs/dbraw/zinc/21/84/99/1023218499.db2.gz BQWTYEIVZGQQSW-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000769829949 1023225282 /nfs/dbraw/zinc/22/52/82/1023225282.db2.gz BWRNCINGEKCARQ-MRXNPFEDSA-N -1 3 317.335 3.956 20 0 DHADHM COc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1F ZINC000769888749 1023241291 /nfs/dbraw/zinc/24/12/91/1023241291.db2.gz FHRQSDRQADARRP-UHFFFAOYSA-N -1 3 323.389 3.759 20 0 DHADHM CCCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049302199 1023515126 /nfs/dbraw/zinc/51/51/26/1023515126.db2.gz NUDBOTOABLBARI-UHFFFAOYSA-N -1 3 313.401 3.518 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000661435364 1023601575 /nfs/dbraw/zinc/60/15/75/1023601575.db2.gz FVHULUUMDYZZAW-CJNGLKHVSA-N -1 3 313.401 3.762 20 0 DHADHM CCc1noc(C)c1COC(=O)c1cc2sccc2c([O-])c1 ZINC000786140003 1023662830 /nfs/dbraw/zinc/66/28/30/1023662830.db2.gz MMNYPBSPSKFPSS-UHFFFAOYSA-N -1 3 317.366 3.823 20 0 DHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000786135433 1023667293 /nfs/dbraw/zinc/66/72/93/1023667293.db2.gz BNYYWZCABPBEDS-UHFFFAOYSA-N -1 3 312.346 3.647 20 0 DHADHM Cc1ccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786856857 1023732549 /nfs/dbraw/zinc/73/25/49/1023732549.db2.gz IGHPMHKHYGRSRB-UHFFFAOYSA-N -1 3 301.361 3.825 20 0 DHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000049375340 1023769048 /nfs/dbraw/zinc/76/90/48/1023769048.db2.gz GTHFNZMOVKHCMZ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cccnc1Cl ZINC000787841891 1023825677 /nfs/dbraw/zinc/82/56/77/1023825677.db2.gz BQTVQEKYDZUELK-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cccc(F)c1F ZINC000787850805 1023826347 /nfs/dbraw/zinc/82/63/47/1023826347.db2.gz RYHZKGIGAUQRFG-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM C[C@H]1c2cccn2CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000788274220 1023869386 /nfs/dbraw/zinc/86/93/86/1023869386.db2.gz KGAIPIYJHZPPQQ-NSHDSACASA-N -1 3 312.394 3.625 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N(Cc1cccnc1)C1CC1 ZINC000788278205 1023870399 /nfs/dbraw/zinc/87/03/99/1023870399.db2.gz PKFINVKRKHYSPR-UHFFFAOYSA-N -1 3 324.405 3.807 20 0 DHADHM CC(C)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000663260141 1023980533 /nfs/dbraw/zinc/98/05/33/1023980533.db2.gz ODTPLDFUCXEOML-QGZVFWFLSA-N -1 3 301.361 3.865 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC3(CCCCO3)CC2)c([O-])c1 ZINC000882432169 1024039032 /nfs/dbraw/zinc/03/90/32/1024039032.db2.gz DCBVLYPUJQIOAL-UHFFFAOYSA-N -1 3 317.429 3.691 20 0 DHADHM CC(C)Oc1ccc(F)c(-c2ccccc2-c2nnn[n-]2)c1F ZINC001204655492 1024075434 /nfs/dbraw/zinc/07/54/34/1024075434.db2.gz DNBSJEUYMNSGPS-UHFFFAOYSA-N -1 3 316.311 3.599 20 0 DHADHM CC(C)Oc1ccc(F)c(-c2ccccc2-c2nn[n-]n2)c1F ZINC001204655492 1024075449 /nfs/dbraw/zinc/07/54/49/1024075449.db2.gz DNBSJEUYMNSGPS-UHFFFAOYSA-N -1 3 316.311 3.599 20 0 DHADHM CCc1oc(C(=O)Nc2cc(Br)ccc2[O-])cc1C ZINC000531618059 1024246723 /nfs/dbraw/zinc/24/67/23/1024246723.db2.gz KGRMYHUEMBRQFS-UHFFFAOYSA-N -1 3 324.174 3.871 20 0 DHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269155269 1024248036 /nfs/dbraw/zinc/24/80/36/1024248036.db2.gz MOEKLLRHMKVOKK-CXAGYDPISA-N -1 3 312.413 3.981 20 0 DHADHM CCCn1ncc(NC(=O)c2cc(CC)ccc2[O-])c1C1CC1 ZINC000452995899 1024264654 /nfs/dbraw/zinc/26/46/54/1024264654.db2.gz STOLRTRMHUAJRD-UHFFFAOYSA-N -1 3 313.401 3.691 20 0 DHADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000269995402 1024336795 /nfs/dbraw/zinc/33/67/95/1024336795.db2.gz USIFLMKNAGOOBA-UHFFFAOYSA-N -1 3 312.413 3.887 20 0 DHADHM CCO[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000859697369 1033206878 /nfs/dbraw/zinc/20/68/78/1033206878.db2.gz FJRXGVBULPBAFW-LLVKDONJSA-N -1 3 313.806 3.855 20 0 DHADHM CC[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)OC(C)(C)C ZINC000791316445 1024476512 /nfs/dbraw/zinc/47/65/12/1024476512.db2.gz VTLWUTCGMJQRMN-SECBINFHSA-N -1 3 322.188 3.599 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000005135107 1024552056 /nfs/dbraw/zinc/55/20/56/1024552056.db2.gz DYLZWTCKODQUBY-UHFFFAOYSA-N -1 3 313.781 3.842 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3ccsc3)n2)n1 ZINC000339114319 1024568766 /nfs/dbraw/zinc/56/87/66/1024568766.db2.gz CEVIDOJVZSZKGD-NSCUHMNNSA-N -1 3 301.396 3.846 20 0 DHADHM O=C(NC[C@H]1Cc2ccccc21)c1cc([O-])c2ccccc2c1 ZINC000792063673 1024620269 /nfs/dbraw/zinc/62/02/69/1024620269.db2.gz OVJYONCLIUCXAN-MRXNPFEDSA-N -1 3 303.361 3.615 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000349081056 1024671995 /nfs/dbraw/zinc/67/19/95/1024671995.db2.gz VEBSMEBGTPAPSS-HOTGVXAUSA-N -1 3 317.772 3.904 20 0 DHADHM CCCCc1nc(NC(=O)C(C)=C(C)CC)c(C(=O)OCC)[n-]1 ZINC000792554226 1024681922 /nfs/dbraw/zinc/68/19/22/1024681922.db2.gz ZUZLEBUSXPQLKH-QXMHVHEDSA-N -1 3 321.421 3.614 20 0 DHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc2ccccc21 ZINC000349190662 1024686509 /nfs/dbraw/zinc/68/65/09/1024686509.db2.gz KZBFQHYRGICKOG-CYBMUJFWSA-N -1 3 321.380 3.501 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cc(F)ccc2F)c1[O-] ZINC001202658278 1024783767 /nfs/dbraw/zinc/78/37/67/1024783767.db2.gz FDDVCWMSDAXXNE-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM O=C(Cc1csc2ccccc12)NCc1ccc([O-])c(F)c1 ZINC000606536656 1024793876 /nfs/dbraw/zinc/79/38/76/1024793876.db2.gz LUJNDDVASRCJHM-UHFFFAOYSA-N -1 3 315.369 3.605 20 0 DHADHM CN(Cc1cccc2[nH]ccc21)Cc1c(F)ccc([O-])c1F ZINC000353200660 1024979230 /nfs/dbraw/zinc/97/92/30/1024979230.db2.gz KCXXLYYPMPLWEZ-UHFFFAOYSA-N -1 3 302.324 3.784 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1c(F)cccc1Cl ZINC000053208199 1025087366 /nfs/dbraw/zinc/08/73/66/1025087366.db2.gz QRMZOHVKFRENPX-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC001167883365 1025132445 /nfs/dbraw/zinc/13/24/45/1025132445.db2.gz GJZQZOCPNDVNOT-HNNXBMFYSA-N -1 3 317.429 3.833 20 0 DHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)[N-]OC1CCCC1 ZINC000135133249 1025186526 /nfs/dbraw/zinc/18/65/26/1025186526.db2.gz MKIAVMDXVRFALZ-UHFFFAOYSA-N -1 3 318.200 3.753 20 0 DHADHM O=c1[n-]c(-c2ccc(F)c(C(F)(F)F)c2)nc2ccc(O)cc12 ZINC000436927339 1025231025 /nfs/dbraw/zinc/23/10/25/1025231025.db2.gz OVZKQRZBQAUFMV-UHFFFAOYSA-N -1 3 324.233 3.866 20 0 DHADHM Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000877204682 1033270685 /nfs/dbraw/zinc/27/06/85/1033270685.db2.gz LSHCERWJYPBDBI-HXUWFJFHSA-N -1 3 324.424 3.520 20 0 DHADHM O=C(Nc1cc2ccccn2n1)c1cc2sccc2c([O-])c1 ZINC000804378629 1025275027 /nfs/dbraw/zinc/27/50/27/1025275027.db2.gz ZBENJSBDQRUJPG-UHFFFAOYSA-N -1 3 309.350 3.507 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000614025968 1025316196 /nfs/dbraw/zinc/31/61/96/1025316196.db2.gz CQUWDVHFBZEBDQ-SECBINFHSA-N -1 3 319.348 3.529 20 0 DHADHM O=C([N-]c1ccnc(Cl)c1F)c1ccc(F)c(F)c1F ZINC001129621165 1025359824 /nfs/dbraw/zinc/35/98/24/1025359824.db2.gz PREZDZHHCZGSAU-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1ccc(-c2cccs2)o1 ZINC000354342451 1025409815 /nfs/dbraw/zinc/40/98/15/1025409815.db2.gz WZZHTAWAGAZRRP-UHFFFAOYSA-N -1 3 314.370 3.646 20 0 DHADHM Cn1ccnc1[C@H]([N-]c1nc2ccccc2o1)c1ccccc1F ZINC000051500526 1025441948 /nfs/dbraw/zinc/44/19/48/1025441948.db2.gz LGRIYTCZUAWLNW-MRXNPFEDSA-N -1 3 322.343 3.902 20 0 DHADHM Cc1ccc(F)c(CN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000350782602 1025679258 /nfs/dbraw/zinc/67/92/58/1025679258.db2.gz YRMSYCHFNRXLDZ-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1NC(=O)N(C)C ZINC000355739662 1025827741 /nfs/dbraw/zinc/82/77/41/1025827741.db2.gz AZFYWUMMBHCBBW-UHFFFAOYSA-N -1 3 317.364 3.545 20 0 DHADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1ccc(Cl)s1 ZINC001211781272 1025998676 /nfs/dbraw/zinc/99/86/76/1025998676.db2.gz MAIMCTCSPFLOEJ-UHFFFAOYSA-N -1 3 319.879 3.649 20 0 DHADHM O=S(=O)([N-]c1cc(F)cc(F)c1)C1=Cc2ccccc2CC1 ZINC000139632022 1026013913 /nfs/dbraw/zinc/01/39/13/1026013913.db2.gz WQLGGMPIVIPBQF-UHFFFAOYSA-N -1 3 321.348 3.694 20 0 DHADHM CC(C)c1[nH]ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000576058929 1026022871 /nfs/dbraw/zinc/02/28/71/1026022871.db2.gz VJCRCAOMDKOAOE-UHFFFAOYSA-N -1 3 323.190 3.859 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356385102 1026034977 /nfs/dbraw/zinc/03/49/77/1026034977.db2.gz GUZAENGRBFMBOC-UHFFFAOYSA-N -1 3 306.749 3.547 20 0 DHADHM Cc1nc(C(=O)OC(C)C)ccc1-c1c([O-])cccc1Cl ZINC001244047884 1026056963 /nfs/dbraw/zinc/05/69/63/1026056963.db2.gz LOCLKPIIWGYAAF-UHFFFAOYSA-N -1 3 305.761 3.981 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1[O-] ZINC000408471079 1026439086 /nfs/dbraw/zinc/43/90/86/1026439086.db2.gz XTEAIKGVUHLGQM-LJQANCHMSA-N -1 3 313.397 3.557 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1Cl)C2 ZINC000262104826 1026479140 /nfs/dbraw/zinc/47/91/40/1026479140.db2.gz HYQCOSWJDXWURZ-XHDPSFHLSA-N -1 3 314.212 3.680 20 0 DHADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000280103155 1026593708 /nfs/dbraw/zinc/59/37/08/1026593708.db2.gz UQNWUJXIFZEMIF-SFHVURJKSA-N -1 3 305.418 3.547 20 0 DHADHM CC(C)c1noc([N-][C@@H](C)c2ccc(Br)cn2)n1 ZINC000280295144 1026628817 /nfs/dbraw/zinc/62/88/17/1026628817.db2.gz QXSNDQWMLPWMOG-QMMMGPOBSA-N -1 3 311.183 3.524 20 0 DHADHM Cc1cccc(OCCCNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000809976565 1026653121 /nfs/dbraw/zinc/65/31/21/1026653121.db2.gz PXZLTEGZFMFYJJ-UHFFFAOYSA-N -1 3 319.788 3.553 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1OC ZINC000810106614 1026679499 /nfs/dbraw/zinc/67/94/99/1026679499.db2.gz NXLLKIYSLWCVSN-OAHLLOKOSA-N -1 3 319.788 3.935 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C1(F)CCCCC1 ZINC000810117111 1026689815 /nfs/dbraw/zinc/68/98/15/1026689815.db2.gz ITMPMEFJNHNMRZ-UHFFFAOYSA-N -1 3 316.170 3.766 20 0 DHADHM COc1ccnc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810564399 1026781353 /nfs/dbraw/zinc/78/13/53/1026781353.db2.gz DVXWWLGUPMCDEK-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM COc1cc(F)c(NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436592209 1026783233 /nfs/dbraw/zinc/78/32/33/1026783233.db2.gz ZLGRQMYYMVFCMD-UHFFFAOYSA-N -1 3 307.296 3.548 20 0 DHADHM CCOCCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810596217 1026797943 /nfs/dbraw/zinc/79/79/43/1026797943.db2.gz RLIROSWDTNZUFH-UHFFFAOYSA-N -1 3 301.795 3.856 20 0 DHADHM CC[C@@H]1C[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810661243 1026830656 /nfs/dbraw/zinc/83/06/56/1026830656.db2.gz STJDFWDJCALBMF-ZJUUUORDSA-N -1 3 313.806 3.997 20 0 DHADHM Cc1ccnc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394339 1026991763 /nfs/dbraw/zinc/99/17/63/1026991763.db2.gz QAMJJYYECTZCLC-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM Cc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)nc1 ZINC000811397182 1026991781 /nfs/dbraw/zinc/99/17/81/1026991781.db2.gz XKBBBHNGPOSCOF-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM O=C(C[C@H]1C=CCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362259548 1027118287 /nfs/dbraw/zinc/11/82/87/1027118287.db2.gz DYPXZQJZZHWDNK-NSHDSACASA-N -1 3 308.341 3.513 20 0 DHADHM Cc1cc(OCCCC(=O)[N-]OC/C=C\Cl)ccc1Cl ZINC000812399997 1027260404 /nfs/dbraw/zinc/26/04/04/1027260404.db2.gz DOPPFPHUKSEZSH-CLTKARDFSA-N -1 3 318.200 3.608 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1Cc2ccc(Cl)cc2C1 ZINC001299171768 1027271679 /nfs/dbraw/zinc/27/16/79/1027271679.db2.gz XNLQMHVCQVGGBJ-UHFFFAOYSA-N -1 3 308.164 3.855 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C3CC3)C3CCC3)nc2)n1 ZINC000573304462 1027280504 /nfs/dbraw/zinc/28/05/04/1027280504.db2.gz FBHNXVPDWGMVPC-GOSISDBHSA-N -1 3 324.428 3.797 20 0 DHADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)[N-]OC/C=C\Cl)C1 ZINC000812407994 1027283143 /nfs/dbraw/zinc/28/31/43/1027283143.db2.gz LNVHDEAROHVYEN-XCTAYMRMSA-N -1 3 317.857 3.942 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OC/C=C\Cl ZINC000812408593 1027286897 /nfs/dbraw/zinc/28/68/97/1027286897.db2.gz QDHWFEBRWPQJTO-WCIBSUBMSA-N -1 3 301.773 3.696 20 0 DHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OC2CCC2)cc1 ZINC000812787224 1027404432 /nfs/dbraw/zinc/40/44/32/1027404432.db2.gz IRHYHHWCDGFJLA-UHFFFAOYSA-N -1 3 303.402 3.584 20 0 DHADHM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000812799924 1027428352 /nfs/dbraw/zinc/42/83/52/1027428352.db2.gz PFKZTDGYTHPSJS-UHFFFAOYSA-N -1 3 319.788 3.866 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295793184 1027430204 /nfs/dbraw/zinc/43/02/04/1027430204.db2.gz DPZCAWGQIDCODZ-ZIAGYGMSSA-N -1 3 312.413 3.887 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C)c1 ZINC000295920506 1027490153 /nfs/dbraw/zinc/49/01/53/1027490153.db2.gz JOZNARYQDHYJJA-UHFFFAOYSA-N -1 3 317.410 3.682 20 0 DHADHM CC(C)(C)OCc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000932536120 1027529949 /nfs/dbraw/zinc/52/99/49/1027529949.db2.gz JHFBKGDZYJRBAU-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000932536120 1027529960 /nfs/dbraw/zinc/52/99/60/1027529960.db2.gz JHFBKGDZYJRBAU-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2cc3ccccc3o2)c1[O-] ZINC000576010925 1027544461 /nfs/dbraw/zinc/54/44/61/1027544461.db2.gz VFRZDSJMZUNCGZ-UHFFFAOYSA-N -1 3 323.348 3.912 20 0 DHADHM [O-]c1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]c(=S)n1 ZINC001245049070 1027664749 /nfs/dbraw/zinc/66/47/49/1027664749.db2.gz PCUPFWRZJMULSH-UHFFFAOYSA-N -1 3 306.696 3.810 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000296947407 1027765057 /nfs/dbraw/zinc/76/50/57/1027765057.db2.gz OPIOVCMNGFVAFG-MNOVXSKESA-N -1 3 301.308 3.504 20 0 DHADHM CC[C@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000527634201 1027795096 /nfs/dbraw/zinc/79/50/96/1027795096.db2.gz CKRBTQBWEFOFCD-LBPRGKRZSA-N -1 3 312.207 3.559 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)C(C)(C)C)c2)n1 ZINC000365348890 1027928820 /nfs/dbraw/zinc/92/88/20/1027928820.db2.gz LWZVLFJOXRBUCM-LBPRGKRZSA-N -1 3 313.401 3.778 20 0 DHADHM COc1ccc2cc(-c3nc4ccc(F)cc4c(=O)[n-]3)ccc2c1 ZINC000601052272 1027957561 /nfs/dbraw/zinc/95/75/61/1027957561.db2.gz LAUYSARVLJIAHO-UHFFFAOYSA-N -1 3 320.323 3.891 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]OCc1ccccc1 ZINC000814257369 1027972138 /nfs/dbraw/zinc/97/21/38/1027972138.db2.gz IXIDVEIVIYRDGV-UHFFFAOYSA-N -1 3 314.772 3.612 20 0 DHADHM CSc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c([O-])c1 ZINC000365699136 1027993784 /nfs/dbraw/zinc/99/37/84/1027993784.db2.gz UFBOCSAASFUIKK-OAHLLOKOSA-N -1 3 303.427 3.519 20 0 DHADHM CC(C)c1ccc([C@@H](C)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000564151498 1028327672 /nfs/dbraw/zinc/32/76/72/1028327672.db2.gz GWINGVVUXRJQBO-CJNGLKHVSA-N -1 3 314.433 3.574 20 0 DHADHM FC(F)c1nnc([N-][C@H](c2cccnc2)C2CCCCC2)o1 ZINC000368639884 1028387164 /nfs/dbraw/zinc/38/71/64/1028387164.db2.gz YRADZRSQJUPKFM-LBPRGKRZSA-N -1 3 308.332 4.136 20 0 DHADHM CCN(Cc1ccoc1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000579484940 1028419924 /nfs/dbraw/zinc/41/99/24/1028419924.db2.gz ZAQBJDWCMOGQJN-LBPRGKRZSA-N -1 3 303.358 3.570 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@]12CCc1ccccc12 ZINC000579612211 1028450184 /nfs/dbraw/zinc/45/01/84/1028450184.db2.gz BHXOIXBXVJTWDE-UGSOOPFHSA-N -1 3 313.784 3.888 20 0 DHADHM C[C@@]1(C(=O)[O-])CCCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000565101099 1028540417 /nfs/dbraw/zinc/54/04/17/1028540417.db2.gz UCDACUWRVJFAJG-OAHLLOKOSA-N -1 3 316.228 3.723 20 0 DHADHM O=C(NC1CC(C(F)(F)F)C1)c1cc([O-])c2ccccc2c1 ZINC000565414421 1028586004 /nfs/dbraw/zinc/58/60/04/1028586004.db2.gz RIICQKYXXLIXQO-UHFFFAOYSA-N -1 3 309.287 3.616 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000748033200 1028639376 /nfs/dbraw/zinc/63/93/76/1028639376.db2.gz BNWMWGIJQCMDFI-UHFFFAOYSA-N -1 3 320.654 3.613 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000566580512 1028746616 /nfs/dbraw/zinc/74/66/16/1028746616.db2.gz AEDBSTKETDFPCC-GOEBONIOSA-N -1 3 319.420 3.891 20 0 DHADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627307173 1028752409 /nfs/dbraw/zinc/75/24/09/1028752409.db2.gz ALZDNZQXGPLKKW-MRXNPFEDSA-N -1 3 313.397 3.933 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000627545599 1028777826 /nfs/dbraw/zinc/77/78/26/1028777826.db2.gz QGBYSPLUJYYZGY-HNNXBMFYSA-N -1 3 322.408 3.720 20 0 DHADHM CN(CCC(C)(C)C)C(=O)c1cc([O-])cc(Br)c1 ZINC000627917044 1028829991 /nfs/dbraw/zinc/82/99/91/1028829991.db2.gz QODABUUTFKXDSI-UHFFFAOYSA-N -1 3 314.223 3.663 20 0 DHADHM Cc1sc([N-]C(=O)c2ocnc2C(F)F)nc1C(C)C ZINC000628044059 1028869791 /nfs/dbraw/zinc/86/97/91/1028869791.db2.gz GCZCRKYFNRLMMD-UHFFFAOYSA-N -1 3 301.318 3.753 20 0 DHADHM Cc1ccc(F)c(CN(C)CC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000567595456 1028925150 /nfs/dbraw/zinc/92/51/50/1028925150.db2.gz IPLRBVANGZFXQZ-KRWDZBQOSA-N -1 3 315.388 3.824 20 0 DHADHM C[C@@]12CCN(Cc3c(F)ccc([O-])c3F)C[C@@H]1C2(Cl)Cl ZINC000816603870 1028958972 /nfs/dbraw/zinc/95/89/72/1028958972.db2.gz RNHDHFIPBPRFML-WCQYABFASA-N -1 3 322.182 3.686 20 0 DHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)[C@H](C)C(C)(C)C ZINC000568098622 1029009688 /nfs/dbraw/zinc/00/96/88/1029009688.db2.gz LSLLREQQDMOXCL-GFCCVEGCSA-N -1 3 317.433 3.621 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)cs1)c1c(F)ccnc1F ZINC000816831876 1029013276 /nfs/dbraw/zinc/01/32/76/1029013276.db2.gz ITLJHRIPWJYAEG-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275401 1029062247 /nfs/dbraw/zinc/06/22/47/1029062247.db2.gz WQQHTQXMDUIAQW-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM CC1(C)CCC(C)(C)N(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000628532039 1029085801 /nfs/dbraw/zinc/08/58/01/1029085801.db2.gz TUXISVWMDOKLRN-UHFFFAOYSA-N -1 3 312.413 3.569 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2C)cc1[O-] ZINC000411342721 1029107300 /nfs/dbraw/zinc/10/73/00/1029107300.db2.gz APRJOYMLAMZCSR-ZDUSSCGKSA-N -1 3 311.381 3.736 20 0 DHADHM CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449960702 1029107874 /nfs/dbraw/zinc/10/78/74/1029107874.db2.gz OBMGVWLJBCJSDE-MRXNPFEDSA-N -1 3 315.388 3.554 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000568750921 1029119216 /nfs/dbraw/zinc/11/92/16/1029119216.db2.gz PEUQZOWBMLDTCC-WCBMZHEXSA-N -1 3 316.170 3.622 20 0 DHADHM CC(C)(C)c1ccc([C@H](O)CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817383172 1029140230 /nfs/dbraw/zinc/14/02/30/1029140230.db2.gz GCVMGACCZIAZRC-QGZVFWFLSA-N -1 3 319.445 3.646 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000450007647 1029141293 /nfs/dbraw/zinc/14/12/93/1029141293.db2.gz ZYCRWEJVAIVGFP-IUODEOHRSA-N -1 3 317.360 3.667 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@@H](C)c2ccccc2)cc1[O-] ZINC000411821291 1029218926 /nfs/dbraw/zinc/21/89/26/1029218926.db2.gz QPOLGZFJAKHMCB-CYBMUJFWSA-N -1 3 311.381 3.518 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H](CC)O1 ZINC000817640384 1029222583 /nfs/dbraw/zinc/22/25/83/1029222583.db2.gz QHRFJZXJAYTCMB-CHWSQXEVSA-N -1 3 319.426 3.637 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1-c1ccccc1 ZINC000155513943 1029241208 /nfs/dbraw/zinc/24/12/08/1029241208.db2.gz LBJGAZNEZUSUEF-QGZVFWFLSA-N -1 3 312.369 3.933 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1-c1ccccc1 ZINC000155513943 1029241224 /nfs/dbraw/zinc/24/12/24/1029241224.db2.gz LBJGAZNEZUSUEF-QGZVFWFLSA-N -1 3 312.369 3.933 20 0 DHADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817929040 1029273762 /nfs/dbraw/zinc/27/37/62/1029273762.db2.gz CTVKGGFOPVSGDW-AEFFLSMTSA-N -1 3 324.424 3.773 20 0 DHADHM Nc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)c([O-])c1 ZINC000817912772 1029276901 /nfs/dbraw/zinc/27/69/01/1029276901.db2.gz IHIBBFLBEKWVOY-UHFFFAOYSA-N -1 3 312.369 3.548 20 0 DHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(N)cc1[O-] ZINC000817936232 1029278641 /nfs/dbraw/zinc/27/86/41/1029278641.db2.gz ITHLWEIGLGPZSG-UHFFFAOYSA-N -1 3 312.413 3.663 20 0 DHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817939869 1029282791 /nfs/dbraw/zinc/28/27/91/1029282791.db2.gz CVBUSCXRMJTISS-KRWDZBQOSA-N -1 3 310.397 3.650 20 0 DHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817948536 1029289775 /nfs/dbraw/zinc/28/97/75/1029289775.db2.gz BEJBCJLTHMHXDX-IFXJQAMLSA-N -1 3 324.424 3.896 20 0 DHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(N)cc2[O-])c1C ZINC000817950649 1029289847 /nfs/dbraw/zinc/28/98/47/1029289847.db2.gz ZFCZDKIMTDYTCQ-QGZVFWFLSA-N -1 3 310.397 3.569 20 0 DHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(N)cc2[O-])c1C ZINC000817950647 1029291237 /nfs/dbraw/zinc/29/12/37/1029291237.db2.gz ZFCZDKIMTDYTCQ-KRWDZBQOSA-N -1 3 310.397 3.569 20 0 DHADHM Nc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)c([O-])c1 ZINC000817996973 1029303685 /nfs/dbraw/zinc/30/36/85/1029303685.db2.gz HXHVSRSLVSNJNO-UHFFFAOYSA-N -1 3 302.418 3.551 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1ccc(N)cc1[O-])c1ccccc1 ZINC000817998508 1029305195 /nfs/dbraw/zinc/30/51/95/1029305195.db2.gz HKVBFYRRHZYULD-AWEZNQCLSA-N -1 3 312.413 3.630 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC001136085969 1029322781 /nfs/dbraw/zinc/32/27/81/1029322781.db2.gz WKVGVFXDOJYPMA-UHFFFAOYSA-N -1 3 309.340 3.890 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCC[C@H]1CC1(Cl)Cl ZINC000818077647 1029331730 /nfs/dbraw/zinc/33/17/30/1029331730.db2.gz RFOPUIHEGQVGAW-ZDUSSCGKSA-N -1 3 316.228 3.641 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450298119 1029332316 /nfs/dbraw/zinc/33/23/16/1029332316.db2.gz LXKJUMJXYOSVAW-BLVKFPJESA-N -1 3 313.372 3.514 20 0 DHADHM CC(C)(C)c1cnc(CSCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000570550198 1029384035 /nfs/dbraw/zinc/38/40/35/1029384035.db2.gz MRPONTJVTKJVHK-UHFFFAOYSA-N -1 3 319.430 3.779 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1[O-] ZINC000412365169 1029418165 /nfs/dbraw/zinc/41/81/65/1029418165.db2.gz QZRRWLGAZVJYKA-KRWDZBQOSA-N -1 3 323.392 3.615 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000412460423 1029447616 /nfs/dbraw/zinc/44/76/16/1029447616.db2.gz FSDRVHGQJOIDOR-JKSUJKDBSA-N -1 3 319.420 3.797 20 0 DHADHM Cc1ccc(C(=O)NCCc2ccc3ccccc3c2)c([O-])c1 ZINC001136192313 1029483657 /nfs/dbraw/zinc/48/36/57/1029483657.db2.gz YFDCUAMTMYLGTI-UHFFFAOYSA-N -1 3 305.377 3.826 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)s2)c1[O-] ZINC000819823181 1029620346 /nfs/dbraw/zinc/62/03/46/1029620346.db2.gz FKOXFEDABKBCEY-VURMDHGXSA-N -1 3 321.785 3.962 20 0 DHADHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccc(OC)cc1 ZINC000530172062 1029762923 /nfs/dbraw/zinc/76/29/23/1029762923.db2.gz HMLIJTBDEGCBJZ-UHFFFAOYSA-N -1 3 317.385 3.707 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1nc(Cl)sc1Cl ZINC000821673252 1029866308 /nfs/dbraw/zinc/86/63/08/1029866308.db2.gz ULYSPJXZSJSYAH-UHFFFAOYSA-N -1 3 309.124 3.980 20 0 DHADHM CCc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1[O-] ZINC001136513573 1029894264 /nfs/dbraw/zinc/89/42/64/1029894264.db2.gz CPCZEBOUQGLJBV-UHFFFAOYSA-N -1 3 316.426 3.932 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000794849432 1029902409 /nfs/dbraw/zinc/90/24/09/1029902409.db2.gz GOSKTTWIRJIJCL-HIFRSBDPSA-N -1 3 305.418 3.599 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000794862842 1030003274 /nfs/dbraw/zinc/00/32/74/1030003274.db2.gz GXFQHGDVNWRYHH-AWEZNQCLSA-N -1 3 305.418 3.770 20 0 DHADHM Cc1nc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cs1 ZINC000290787222 1030190624 /nfs/dbraw/zinc/19/06/24/1030190624.db2.gz RKOHZNCDMWHNFD-AWEZNQCLSA-N -1 3 322.817 3.788 20 0 DHADHM O=C1Nc2cc(Cl)ccc2/C1=C\c1c(F)ccc([O-])c1F ZINC000794928647 1030343241 /nfs/dbraw/zinc/34/32/41/1030343241.db2.gz YIGGBIOYJUSDNS-RMKNXTFCSA-N -1 3 307.683 3.817 20 0 DHADHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1cc([O-])cc(F)c1 ZINC000925567438 1030406202 /nfs/dbraw/zinc/40/62/02/1030406202.db2.gz DHLYNVSBWABVEJ-GFCCVEGCSA-N -1 3 303.381 3.694 20 0 DHADHM C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000866769605 1030438434 /nfs/dbraw/zinc/43/84/34/1030438434.db2.gz OSVPSPQLHVWTMK-LBPRGKRZSA-N -1 3 319.351 3.556 20 0 DHADHM C[S@](=O)(=NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000926022333 1030580664 /nfs/dbraw/zinc/58/06/64/1030580664.db2.gz MSPXEPOSXCAQAD-HXUWFJFHSA-N -1 3 315.822 3.616 20 0 DHADHM C[S@@](=O)(=NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000926022332 1030581752 /nfs/dbraw/zinc/58/17/52/1030581752.db2.gz MSPXEPOSXCAQAD-FQEVSTJZSA-N -1 3 315.822 3.616 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000291772632 1030636240 /nfs/dbraw/zinc/63/62/40/1030636240.db2.gz WLYISPFOYNAPRQ-UHFFFAOYSA-N -1 3 309.365 3.862 20 0 DHADHM Cc1nc(O[C@@H](C)c2cccc(Br)c2)c(C)c(=O)[n-]1 ZINC001229687043 1030680704 /nfs/dbraw/zinc/68/07/04/1030680704.db2.gz XRZJHLOLCXDDCW-VIFPVBQESA-N -1 3 323.190 3.702 20 0 DHADHM Cc1cccc(F)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001136972735 1030693590 /nfs/dbraw/zinc/69/35/90/1030693590.db2.gz XWDJYEKYONBDLL-UHFFFAOYSA-N -1 3 301.361 3.893 20 0 DHADHM Cn1c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc2ccccc21 ZINC001212054399 1030755420 /nfs/dbraw/zinc/75/54/20/1030755420.db2.gz VHFHKUCPCQABNS-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM O=C([N-]Cc1ccc[nH]1)C(F)(F)c1cccc(Cl)c1Cl ZINC001137018392 1030770306 /nfs/dbraw/zinc/77/03/06/1030770306.db2.gz PWXFSVXCSRCZJU-UHFFFAOYSA-N -1 3 319.138 3.730 20 0 DHADHM CSC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000869645825 1030827819 /nfs/dbraw/zinc/82/78/19/1030827819.db2.gz WRCDHPRENFFESJ-UHFFFAOYSA-N -1 3 307.440 3.575 20 0 DHADHM CCCO[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000844090701 1030951763 /nfs/dbraw/zinc/95/17/63/1030951763.db2.gz YQBRTMYVTVBTCL-UHFFFAOYSA-N -1 3 301.358 3.538 20 0 DHADHM Cc1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])s2)o1 ZINC000359562046 1031034245 /nfs/dbraw/zinc/03/42/45/1031034245.db2.gz AQGJEAHYGMDJON-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000292585343 1031081869 /nfs/dbraw/zinc/08/18/69/1031081869.db2.gz GWTUNZYHSMZNRL-IRXDYDNUSA-N -1 3 317.429 3.545 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2oc(C(C)C)nc2C)s1 ZINC000292643102 1031111333 /nfs/dbraw/zinc/11/13/33/1031111333.db2.gz ZCFUMQWVVOHQQL-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCCO1 ZINC000871168517 1031152184 /nfs/dbraw/zinc/15/21/84/1031152184.db2.gz ATWVNSRIGPPPHN-QGZVFWFLSA-N -1 3 313.397 3.623 20 0 DHADHM O=C(CCc1ccc(Cl)s1)[N-]OCCCC(F)(F)F ZINC000871211054 1031160573 /nfs/dbraw/zinc/16/05/73/1031160573.db2.gz CTKBEPRTBOFSAE-UHFFFAOYSA-N -1 3 315.744 3.724 20 0 DHADHM O=C(CC/C=C\c1ccccc1)[N-]OCCCC(F)(F)F ZINC000871213343 1031163035 /nfs/dbraw/zinc/16/30/35/1031163035.db2.gz OZXSGLFHEVABAH-WTKPLQERSA-N -1 3 301.308 3.870 20 0 DHADHM COc1ccc([C@H](C)CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871213382 1031163238 /nfs/dbraw/zinc/16/32/38/1031163238.db2.gz PVOXMPBROMHFRV-LLVKDONJSA-N -1 3 319.323 3.579 20 0 DHADHM O=C([N-]OCCCC(F)(F)F)c1c(F)ccc(F)c1Cl ZINC000871217717 1031167606 /nfs/dbraw/zinc/16/76/06/1031167606.db2.gz PZHHGAQCSGGZFI-UHFFFAOYSA-N -1 3 317.641 3.622 20 0 DHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC000871268013 1031178320 /nfs/dbraw/zinc/17/83/20/1031178320.db2.gz GVYXAKKPKDOWJV-UHFFFAOYSA-N -1 3 316.254 3.915 20 0 DHADHM Cc1cc(F)c(CNC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000263476928 1031198430 /nfs/dbraw/zinc/19/84/30/1031198430.db2.gz JOLLYQQVMMWXRT-NSHDSACASA-N -1 3 301.789 3.624 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1CCCC[C@H]1C)CC2 ZINC000871621019 1031249505 /nfs/dbraw/zinc/24/95/05/1031249505.db2.gz QZTXNOCEKKXSPI-KGLIPLIRSA-N -1 3 317.429 3.578 20 0 DHADHM COc1ccc(OC)c([C@@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872017417 1031396867 /nfs/dbraw/zinc/39/68/67/1031396867.db2.gz AZOCEMPXOXHZGE-VXGBXAGGSA-N -1 3 319.376 3.960 20 0 DHADHM CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872018873 1031400615 /nfs/dbraw/zinc/40/06/15/1031400615.db2.gz QFWMAKPIMVWEBX-NWDGAFQWSA-N -1 3 316.376 3.902 20 0 DHADHM CCc1ccc([C@H](COC)N[C@H](C)c2cccc([O-])c2F)o1 ZINC000872037355 1031421147 /nfs/dbraw/zinc/42/11/47/1031421147.db2.gz AZCIALHAMHDFOH-RISCZKNCSA-N -1 3 307.365 3.725 20 0 DHADHM CO[C@H](C)c1nc(CN[C@H](C)c2cccc([O-])c2F)cs1 ZINC000872041759 1031425540 /nfs/dbraw/zinc/42/55/40/1031425540.db2.gz KVFOVHJZTBGRFH-NXEZZACHSA-N -1 3 310.394 3.546 20 0 DHADHM C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872046193 1031433323 /nfs/dbraw/zinc/43/33/23/1031433323.db2.gz VJTIZEDMZKSNRT-QMTHXVAHSA-N -1 3 305.324 3.845 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc([O-])c1F ZINC000872050458 1031437755 /nfs/dbraw/zinc/43/77/55/1031437755.db2.gz ATFQYIJSPJMHDL-WNDFPBNNSA-N -1 3 321.417 3.681 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2ccccc2SC(C)C)[n-]1 ZINC000293366464 1031444933 /nfs/dbraw/zinc/44/49/33/1031444933.db2.gz LTOCZNUBVSITKR-UHFFFAOYSA-N -1 3 318.398 3.554 20 0 DHADHM C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cccc([O-])c1F ZINC000872064041 1031458701 /nfs/dbraw/zinc/45/87/01/1031458701.db2.gz VTFLUFDWUKAVCX-LLVKDONJSA-N -1 3 322.380 3.685 20 0 DHADHM C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc([O-])c1F ZINC000872062944 1031458880 /nfs/dbraw/zinc/45/88/80/1031458880.db2.gz RAJLOSISMUGHMT-PRHODGIISA-N -1 3 309.287 3.594 20 0 DHADHM Cc1ncc(Cl)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)n1 ZINC000537147230 1031520164 /nfs/dbraw/zinc/52/01/64/1031520164.db2.gz FJLRJRBOHOWDLC-UHFFFAOYSA-N -1 3 318.110 3.622 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCC(C)(C)C1CC1)CC2 ZINC000872168495 1031546713 /nfs/dbraw/zinc/54/67/13/1031546713.db2.gz UYGAPKZKKYCJOZ-UHFFFAOYSA-N -1 3 317.429 3.578 20 0 DHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1c1cccnc1 ZINC000293839752 1031649652 /nfs/dbraw/zinc/64/96/52/1031649652.db2.gz HACVMNOOBZMRIN-MRXNPFEDSA-N -1 3 304.340 3.649 20 0 DHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1c1cccnc1 ZINC000293839748 1031650276 /nfs/dbraw/zinc/65/02/76/1031650276.db2.gz HACVMNOOBZMRIN-INIZCTEOSA-N -1 3 304.340 3.649 20 0 DHADHM COc1ccccc1[C@@H]1CCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144542163 1031688272 /nfs/dbraw/zinc/68/82/72/1031688272.db2.gz QJXVQUKUIRJURF-GFCCVEGCSA-N -1 3 319.351 3.669 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC001144558922 1031709927 /nfs/dbraw/zinc/70/99/27/1031709927.db2.gz FRVDNJPEYNNTSY-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1CF ZINC000293989240 1031739668 /nfs/dbraw/zinc/73/96/68/1031739668.db2.gz GZCPSZHYDIIQHL-CYBMUJFWSA-N -1 3 315.344 3.759 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2c3c(cccc31)CC2 ZINC001144631457 1031780090 /nfs/dbraw/zinc/78/00/90/1031780090.db2.gz RAUNWGUHULLKGE-UHFFFAOYSA-N -1 3 321.351 3.964 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1ccc2ccccc2c1 ZINC001144632985 1031781138 /nfs/dbraw/zinc/78/11/38/1031781138.db2.gz ZJPMFVWZNFLXFW-UHFFFAOYSA-N -1 3 323.367 3.586 20 0 DHADHM COc1ccccc1[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144646876 1031790143 /nfs/dbraw/zinc/79/01/43/1031790143.db2.gz OGCHTFRMEGQIGU-GFCCVEGCSA-N -1 3 319.351 3.669 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC001144657634 1031795667 /nfs/dbraw/zinc/79/56/67/1031795667.db2.gz AYAYFMFNAOMPEW-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001144667145 1031806858 /nfs/dbraw/zinc/80/68/58/1031806858.db2.gz URCMFKASHRJQRU-CQSZACIVSA-N -1 3 303.352 3.735 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cc3ncccc3o2)s1 ZINC000930420291 1031814263 /nfs/dbraw/zinc/81/42/63/1031814263.db2.gz PYUCPBPMUSVQNZ-UHFFFAOYSA-N -1 3 316.386 3.835 20 0 DHADHM CC(C)Oc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000294296833 1031923653 /nfs/dbraw/zinc/92/36/53/1031923653.db2.gz PSGKBWLFNBAZMP-UHFFFAOYSA-N -1 3 307.340 3.747 20 0 DHADHM O=C(Nc1cnn(C2CCC2)c1)N([O-])Cc1ccccc1Cl ZINC000898035352 1031925687 /nfs/dbraw/zinc/92/56/87/1031925687.db2.gz QLWGHMOMMMBALN-UHFFFAOYSA-N -1 3 320.780 3.685 20 0 DHADHM O=C([O-])CC1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000846267746 1031950167 /nfs/dbraw/zinc/95/01/67/1031950167.db2.gz CNAPMMMOQVEESL-UHFFFAOYSA-N -1 3 315.385 3.688 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCC1CCC(F)(F)CC1 ZINC000842026935 1031953154 /nfs/dbraw/zinc/95/31/54/1031953154.db2.gz FGOSWEBPFSHLIF-UHFFFAOYSA-N -1 3 311.372 3.883 20 0 DHADHM CC[C@H](CC(=O)[N-]OC1CCCCC1)c1ccc(OC)cc1 ZINC000777962981 1032055277 /nfs/dbraw/zinc/05/52/77/1032055277.db2.gz HMTMNVOWMQUQDV-CQSZACIVSA-N -1 3 305.418 3.959 20 0 DHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000478188600 1033426534 /nfs/dbraw/zinc/42/65/34/1033426534.db2.gz ZPDAAYOCFQXDAK-CQSZACIVSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1c(F)ccc(-c2noc(-c3cncc([O-])c3)n2)c1Cl ZINC001212708557 1033572146 /nfs/dbraw/zinc/57/21/46/1033572146.db2.gz LLUQRLPBFSVCSN-UHFFFAOYSA-N -1 3 305.696 3.605 20 0 DHADHM CC(C)CO[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000153660535 1033588234 /nfs/dbraw/zinc/58/82/34/1033588234.db2.gz ZANLUFLEVLKMJK-UHFFFAOYSA-N -1 3 322.792 3.631 20 0 DHADHM O=c1[n-]c(-c2ccc3c(c2)CCCCC3=O)nc2cc(F)ccc12 ZINC000479158139 1033672716 /nfs/dbraw/zinc/67/27/16/1033672716.db2.gz GQGURWZPNHHPIP-UHFFFAOYSA-N -1 3 322.339 3.638 20 0 DHADHM C[C@H]1CSCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000889922409 1033779483 /nfs/dbraw/zinc/77/94/83/1033779483.db2.gz AWPBMOKEZYHRMZ-LBPRGKRZSA-N -1 3 301.411 3.513 20 0 DHADHM O=C(NCCC1CCC(F)(F)CC1)c1cc([O-])ccc1Cl ZINC000890058753 1033808304 /nfs/dbraw/zinc/80/83/04/1033808304.db2.gz QHWHKJLDMFQUPE-UHFFFAOYSA-N -1 3 317.763 3.991 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](C)C1(F)F ZINC000862437101 1033853135 /nfs/dbraw/zinc/85/31/35/1033853135.db2.gz CKWJDTRNTOTRCH-RYUDHWBXSA-N -1 3 319.351 3.909 20 0 DHADHM CCOc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001173852737 1033885576 /nfs/dbraw/zinc/88/55/76/1033885576.db2.gz LYBKNWUNSDUZAU-UHFFFAOYSA-N -1 3 309.163 3.692 20 0 DHADHM COc1ccc(OC)c(Nc2cccc([O-])c2Br)c1 ZINC001173920533 1033953851 /nfs/dbraw/zinc/95/38/51/1033953851.db2.gz QNTMRGHFMKQZNT-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM COc1ccc(C)cc1Nc1ncc(Br)cc1[O-] ZINC001173982883 1034014409 /nfs/dbraw/zinc/01/44/09/1034014409.db2.gz RCQFZGNSADGLHG-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM CCc1ccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000023345903 1034027960 /nfs/dbraw/zinc/02/79/60/1034027960.db2.gz JGJWSCFRHYEWTL-UHFFFAOYSA-N -1 3 313.378 3.832 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([O-])c1 ZINC000863241823 1034038735 /nfs/dbraw/zinc/03/87/35/1034038735.db2.gz HHUCIQBSRBSTPU-YTQUADARSA-N -1 3 321.420 3.830 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174063993 1034068576 /nfs/dbraw/zinc/06/85/76/1034068576.db2.gz LFCMBBBEXDQRSB-UHFFFAOYSA-N -1 3 319.792 3.666 20 0 DHADHM Cc1cc(C(=O)CCC(=O)[N-]Oc2ccc(F)cc2)c(C)s1 ZINC000898572449 1034114323 /nfs/dbraw/zinc/11/43/23/1034114323.db2.gz WVXHIGKXQRGFHM-UHFFFAOYSA-N -1 3 321.373 3.577 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc2cnccc21 ZINC001174134345 1034159868 /nfs/dbraw/zinc/15/98/68/1034159868.db2.gz IKAPESIRGHZOFF-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174150308 1034175952 /nfs/dbraw/zinc/17/59/52/1034175952.db2.gz IZSFGAGQSYVJFK-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM O=c1[n-]cncc1Nc1ccc(F)cc1OCc1ccccc1 ZINC001174119344 1034186404 /nfs/dbraw/zinc/18/64/04/1034186404.db2.gz SFZJUDXSMNIDFU-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM CCN(CC)C(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174167763 1034191727 /nfs/dbraw/zinc/19/17/27/1034191727.db2.gz YVLLZURTNPCKGN-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000888798874 1034198203 /nfs/dbraw/zinc/19/82/03/1034198203.db2.gz QTCPCOUXMVMMSH-AWEZNQCLSA-N -1 3 315.438 3.949 20 0 DHADHM CCCCNC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174189942 1034208146 /nfs/dbraw/zinc/20/81/46/1034208146.db2.gz PXPOLWJVBMUDOO-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM CC(C)c1nnc([N-]c2cccc(C(=O)NC3CCCC3)c2)o1 ZINC001174195320 1034214225 /nfs/dbraw/zinc/21/42/25/1034214225.db2.gz WMGIUOAXLPOSOC-UHFFFAOYSA-N -1 3 314.389 3.609 20 0 DHADHM O=c1cc(Nc2ccnc(C(F)(F)F)c2)[n-]n1-c1ccccc1 ZINC001174362822 1034337734 /nfs/dbraw/zinc/33/77/34/1034337734.db2.gz PQVPIRVIMIPACT-UHFFFAOYSA-N -1 3 320.274 3.735 20 0 DHADHM CC(C)(C)OC(=O)c1ccc([N-]c2nonc2C2CC2)cc1 ZINC001174427572 1034376485 /nfs/dbraw/zinc/37/64/85/1034376485.db2.gz LIWNXHFKTAQQQI-UHFFFAOYSA-N -1 3 301.346 3.646 20 0 DHADHM COc1ccc2nc(-c3cccc(C(F)F)c3)[n-]c(=O)c2c1 ZINC000777403169 1034441742 /nfs/dbraw/zinc/44/17/42/1034441742.db2.gz VVIHJFYDNQTHBR-UHFFFAOYSA-N -1 3 302.280 3.949 20 0 DHADHM O=c1ccn(-c2ccc(Nc3cccc(-c4cc[nH]n4)c3)cc2)[n-]1 ZINC001174509748 1034468719 /nfs/dbraw/zinc/46/87/19/1034468719.db2.gz JGXMXKVGKFQGEY-UHFFFAOYSA-N -1 3 317.352 3.712 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(C=O)s2)s1 ZINC000864968896 1034487027 /nfs/dbraw/zinc/48/70/27/1034487027.db2.gz DKFWZOSGZWPLDS-UHFFFAOYSA-N -1 3 309.416 3.568 20 0 DHADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc(F)c1F ZINC001174581936 1034488869 /nfs/dbraw/zinc/48/88/69/1034488869.db2.gz HXKIDQWBYHJHFR-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM CCn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001174565924 1034507934 /nfs/dbraw/zinc/50/79/34/1034507934.db2.gz DCZGZDGEMTURTM-UHFFFAOYSA-N -1 3 307.151 3.550 20 0 DHADHM CCO[C@H](C)n1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001174690712 1034552711 /nfs/dbraw/zinc/55/27/11/1034552711.db2.gz JOFGFJWCWNBEOK-SECBINFHSA-N -1 3 306.753 3.976 20 0 DHADHM CC(C)c1ccc(SCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000865351759 1034603458 /nfs/dbraw/zinc/60/34/58/1034603458.db2.gz LDCSXQUILFJBFB-UHFFFAOYSA-N -1 3 316.426 3.671 20 0 DHADHM CC[C@@H](SCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000865358949 1034605687 /nfs/dbraw/zinc/60/56/87/1034605687.db2.gz AXPWAWJUGFWUHV-OAHLLOKOSA-N -1 3 316.426 3.639 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000899376829 1034608431 /nfs/dbraw/zinc/60/84/31/1034608431.db2.gz RAPPZKLUMQTEQP-ORAYPTAESA-N -1 3 313.372 3.684 20 0 DHADHM CCC[C@@H](O)CCCSCc1noc(-c2ccccc2[O-])n1 ZINC000865380267 1034618864 /nfs/dbraw/zinc/61/88/64/1034618864.db2.gz KPJWPRSREXYAII-GFCCVEGCSA-N -1 3 322.430 3.617 20 0 DHADHM COc1cc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001174925532 1034687293 /nfs/dbraw/zinc/68/72/93/1034687293.db2.gz APHKCTVKIRUVAW-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1F ZINC001175020324 1034742327 /nfs/dbraw/zinc/74/23/27/1034742327.db2.gz VRPDVLOQSCZRJS-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COCCOc1ccc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175099393 1034780013 /nfs/dbraw/zinc/78/00/13/1034780013.db2.gz DUJJBJVCUGTMKV-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM Cc1cn(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2)cn1 ZINC001175100689 1034781285 /nfs/dbraw/zinc/78/12/85/1034781285.db2.gz VKFIOBQUCXKDLA-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1N1CCOCC1 ZINC001175099944 1034782701 /nfs/dbraw/zinc/78/27/01/1034782701.db2.gz ICYPYMYAQBMUIB-UHFFFAOYSA-N -1 3 320.339 3.559 20 0 DHADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000192736247 1034815048 /nfs/dbraw/zinc/81/50/48/1034815048.db2.gz IWFFYMQMVZMYEQ-YGRLFVJLSA-N -1 3 307.344 3.571 20 0 DHADHM CC(C)c1nnc([N-]c2cccc(O[C@H]3CCCCO3)c2)o1 ZINC001175184004 1034862215 /nfs/dbraw/zinc/86/22/15/1034862215.db2.gz VNABXMORVVSXQM-AWEZNQCLSA-N -1 3 303.362 3.842 20 0 DHADHM CC(C)OC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175264236 1034911360 /nfs/dbraw/zinc/91/13/60/1034911360.db2.gz DFBLKFCDLARTRR-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(OC(F)(F)F)nc2)c1F ZINC001175263593 1034912222 /nfs/dbraw/zinc/91/22/22/1034912222.db2.gz LYZIDOYUWRIQAX-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2-c2ccc(F)cc2)c1F ZINC001175263185 1034912409 /nfs/dbraw/zinc/91/24/09/1034912409.db2.gz GIGKZCPHZYJSHG-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM COc1cc2cccnc2c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268110 1034914263 /nfs/dbraw/zinc/91/42/63/1034914263.db2.gz HUMZWBBCLQFLPO-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CC(C)C1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC001142651016 1034934015 /nfs/dbraw/zinc/93/40/15/1034934015.db2.gz MQWLQURLCGSICH-UHFFFAOYSA-N -1 3 312.207 3.920 20 0 DHADHM [O-]c1cccc(Nc2cnc3cccnc3c2)c1Br ZINC001175363725 1034952707 /nfs/dbraw/zinc/95/27/07/1034952707.db2.gz YBVWKRBCKHBSNT-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM Cc1cc(OC(F)F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429588 1034979171 /nfs/dbraw/zinc/97/91/71/1034979171.db2.gz KWNDGFAWOFBLFZ-UHFFFAOYSA-N -1 3 317.299 3.520 20 0 DHADHM Clc1nccc2c(Nc3ccc(-c4nn[n-]n4)cc3)cccc12 ZINC001175430416 1034980408 /nfs/dbraw/zinc/98/04/08/1034980408.db2.gz PXGJUIXKULAAAL-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1C ZINC001175432229 1034981172 /nfs/dbraw/zinc/98/11/72/1034981172.db2.gz WOJWVHDKXUDOFS-UHFFFAOYSA-N -1 3 315.764 3.581 20 0 DHADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC001175431801 1034981329 /nfs/dbraw/zinc/98/13/29/1034981329.db2.gz NWIQEKMGMVSMFI-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1nccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175433178 1034982820 /nfs/dbraw/zinc/98/28/20/1034982820.db2.gz RFWUAQGSKCMRCS-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Cc1ccc2n[nH]cc2c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175523055 1035025868 /nfs/dbraw/zinc/02/58/68/1035025868.db2.gz DHXMPMMFQVNXRY-UHFFFAOYSA-N -1 3 305.341 3.506 20 0 DHADHM [O-]c1cccc2sc(Nc3ccnc(Br)c3)nc21 ZINC001175743916 1035101025 /nfs/dbraw/zinc/10/10/25/1035101025.db2.gz UAAFJHIJPSQXFY-UHFFFAOYSA-N -1 3 322.187 3.903 20 0 DHADHM COCCOc1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001175784644 1035120929 /nfs/dbraw/zinc/12/09/29/1035120929.db2.gz ZGDLZTJYAZUPTF-UHFFFAOYSA-N -1 3 316.382 3.771 20 0 DHADHM COc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1Cl ZINC001175895072 1035141540 /nfs/dbraw/zinc/14/15/40/1035141540.db2.gz XYOYWHRKWLWDFP-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM COC(=O)C1(c2ccc(Nc3cccc(Cl)c3[O-])cc2)CC1 ZINC001175920235 1035163358 /nfs/dbraw/zinc/16/33/58/1035163358.db2.gz JZLRGKYNXKQHPQ-UHFFFAOYSA-N -1 3 317.772 3.994 20 0 DHADHM COc1ccc(O)cc1Nc1cccc([O-])c1Br ZINC001176583567 1035290273 /nfs/dbraw/zinc/29/02/73/1035290273.db2.gz ZUURUEAZTNKXLW-UHFFFAOYSA-N -1 3 310.147 3.613 20 0 DHADHM Cc1coc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000163422996 1035318460 /nfs/dbraw/zinc/31/84/60/1035318460.db2.gz WKFWICBNZAYNNE-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C(F)F)nc1)c1ccccc1 ZINC000904005128 1035343444 /nfs/dbraw/zinc/34/34/44/1035343444.db2.gz PAAMUQRRNBUWSF-XHDPSFHLSA-N -1 3 320.339 3.571 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C(F)F)nc1)c1ccccc1 ZINC000904005127 1035343567 /nfs/dbraw/zinc/34/35/67/1035343567.db2.gz PAAMUQRRNBUWSF-NHYWBVRUSA-N -1 3 320.339 3.571 20 0 DHADHM O=C([O-])C[C@H](CCc1ccccc1)NCc1c(F)cccc1F ZINC000904037715 1035349284 /nfs/dbraw/zinc/34/92/84/1035349284.db2.gz ANYONBWVRQBLCA-AWEZNQCLSA-N -1 3 319.351 3.531 20 0 DHADHM O=C(N[C@@H]1CC12CCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001177259800 1035361443 /nfs/dbraw/zinc/36/14/43/1035361443.db2.gz RKAVCSSUBCQHEB-QGZVFWFLSA-N -1 3 309.365 3.857 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2COC(C)(C)C)c([O-])c1 ZINC001177388718 1035367528 /nfs/dbraw/zinc/36/75/28/1035367528.db2.gz ACWYQEDISFULOD-OAHLLOKOSA-N -1 3 319.445 3.935 20 0 DHADHM COc1ccccc1[C@H](NC(=O)c1ccccc1[O-])c1ccco1 ZINC000163762048 1035381539 /nfs/dbraw/zinc/38/15/39/1035381539.db2.gz CEVBBOPEHQEALC-SFHVURJKSA-N -1 3 323.348 3.513 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3nccc4ccccc43)no2)cc1F ZINC000904595072 1035433043 /nfs/dbraw/zinc/43/30/43/1035433043.db2.gz ZBDWXKIXUKHJNO-UHFFFAOYSA-N -1 3 321.311 3.720 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001179076202 1035463389 /nfs/dbraw/zinc/46/33/89/1035463389.db2.gz UMMAHVLMEVBVGQ-LBPRGKRZSA-N -1 3 309.410 3.520 20 0 DHADHM CCCCC[C@H](C)CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001179076202 1035463391 /nfs/dbraw/zinc/46/33/91/1035463391.db2.gz UMMAHVLMEVBVGQ-LBPRGKRZSA-N -1 3 309.410 3.520 20 0 DHADHM O=C(Cc1ccccc1Oc1ccccc1)Nc1ncccc1[O-] ZINC001179871609 1035526819 /nfs/dbraw/zinc/52/68/19/1035526819.db2.gz IUNGNLJEAYFOTK-UHFFFAOYSA-N -1 3 320.348 3.761 20 0 DHADHM CCc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000494543742 1035540447 /nfs/dbraw/zinc/54/04/47/1035540447.db2.gz BYEHGTIKCCKKNY-UHFFFAOYSA-N -1 3 315.388 3.688 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cccc(OC2CCC2)c1 ZINC001193187288 1035591090 /nfs/dbraw/zinc/59/10/90/1035591090.db2.gz XKKSYASLPOHABS-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM CCCCOc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000195535254 1035604497 /nfs/dbraw/zinc/60/44/97/1035604497.db2.gz XWMFRYQNLUUNFD-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM CC(C)c1csc(C(=O)[N-]c2cc(C(F)(F)F)no2)n1 ZINC001193501270 1035651036 /nfs/dbraw/zinc/65/10/36/1035651036.db2.gz VJGAFWYXGJIWOE-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM CC(C)N(CC1CC1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193750406 1035728688 /nfs/dbraw/zinc/72/86/88/1035728688.db2.gz WAIZNIZIEQVKAL-UHFFFAOYSA-N -1 3 301.308 3.672 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC001193938271 1035763224 /nfs/dbraw/zinc/76/32/24/1035763224.db2.gz NZZMSRUKWCMVPI-INIZCTEOSA-N -1 3 313.397 3.923 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001193936359 1035765809 /nfs/dbraw/zinc/76/58/09/1035765809.db2.gz NZLAOGALGIGTQA-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ncc(Cl)n1C ZINC000773884115 1035770246 /nfs/dbraw/zinc/77/02/46/1035770246.db2.gz OAGYLKUODIHXQH-ZETCQYMHSA-N -1 3 309.778 3.534 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)c1 ZINC001194609700 1035962143 /nfs/dbraw/zinc/96/21/43/1035962143.db2.gz GKKYTQJYLUIHHR-UHFFFAOYSA-N -1 3 318.442 3.797 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)c(C)c1 ZINC001194638831 1035977603 /nfs/dbraw/zinc/97/76/03/1035977603.db2.gz NOIXNGGVXYCZFR-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM C[C@H](CC(=O)Nc1ncccc1[O-])Sc1ccc(Cl)cc1 ZINC001181767473 1035986176 /nfs/dbraw/zinc/98/61/76/1035986176.db2.gz YLPDAPZFSQGYGK-SNVBAGLBSA-N -1 3 322.817 3.950 20 0 DHADHM CC[C@H](CC(C)C)C(=O)Nc1ncc([O-])cc1Br ZINC001181817835 1035999853 /nfs/dbraw/zinc/99/98/53/1035999853.db2.gz XYCIWPHCRFDJPN-SECBINFHSA-N -1 3 315.211 3.561 20 0 DHADHM CC[C@H](C)COC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194811865 1036042234 /nfs/dbraw/zinc/04/22/34/1036042234.db2.gz RWJDJXCDFQJBMC-NSHDSACASA-N -1 3 323.389 3.942 20 0 DHADHM O=C(NCc1ncccc1[O-])C1(Cc2ccccc2)CCCCC1 ZINC001182219020 1036143001 /nfs/dbraw/zinc/14/30/01/1036143001.db2.gz UVGGIEYVIQCKIF-UHFFFAOYSA-N -1 3 324.424 3.597 20 0 DHADHM CC1=CC(=O)CN=C1[N-]C(=O)Oc1ccccc1C(F)(F)F ZINC001195168004 1036167220 /nfs/dbraw/zinc/16/72/20/1036167220.db2.gz JZNSBSFIORSLDJ-UHFFFAOYSA-N -1 3 312.247 3.725 20 0 DHADHM CCc1nc([C@H](C)NC(=O)c2cc(SC)ccc2[O-])cs1 ZINC000668594725 1036173345 /nfs/dbraw/zinc/17/33/45/1036173345.db2.gz ZJTIMBDTPCWFDS-VIFPVBQESA-N -1 3 322.455 3.624 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)c1F ZINC000541163540 1036250665 /nfs/dbraw/zinc/25/06/65/1036250665.db2.gz AEZJYHBBNNDULC-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM FC(F)(F)[C@@H]([N-]c1nccc(-c2ccco2)n1)c1ccccn1 ZINC001168477474 1036257445 /nfs/dbraw/zinc/25/74/45/1036257445.db2.gz KTEZARWKTLBIHW-ZDUSSCGKSA-N -1 3 320.274 3.847 20 0 DHADHM Cc1cccc(C2(Nc3ccc4c(c3)[N-]C(=S)C4)COC2)c1 ZINC001168479651 1036309148 /nfs/dbraw/zinc/30/91/48/1036309148.db2.gz ZNSBYDGKVVRNKL-UHFFFAOYSA-N -1 3 310.422 3.628 20 0 DHADHM CCCCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001195836816 1036361020 /nfs/dbraw/zinc/36/10/20/1036361020.db2.gz FZWXFPTUSZDORG-UHFFFAOYSA-N -1 3 322.257 3.995 20 0 DHADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2ccncc2[O-])CC1 ZINC001182626134 1036405135 /nfs/dbraw/zinc/40/51/35/1036405135.db2.gz FFRLUFXDGBIUFX-BIWSTMPVSA-N -1 3 316.445 3.780 20 0 DHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1nc(C(C)(C)C)no1 ZINC000914891491 1036441460 /nfs/dbraw/zinc/44/14/60/1036441460.db2.gz QQPNWNWWKZYFFC-MRVPVSSYSA-N -1 3 319.386 3.828 20 0 DHADHM Cc1ccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)s1 ZINC000914891999 1036442160 /nfs/dbraw/zinc/44/21/60/1036442160.db2.gz XNRMYRBCVNPKGC-UHFFFAOYSA-N -1 3 305.380 3.639 20 0 DHADHM CC(C)(C)OCc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000176370979 1036601975 /nfs/dbraw/zinc/60/19/75/1036601975.db2.gz DYRUYVAAFJETNV-UHFFFAOYSA-N -1 3 321.314 3.518 20 0 DHADHM CCCCOc1ccc(C(=O)NCC2=CCCCC2)c([O-])c1 ZINC001183611687 1036625808 /nfs/dbraw/zinc/62/58/08/1036625808.db2.gz ONRHDBCCSOOCSM-UHFFFAOYSA-N -1 3 303.402 3.801 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1Cl ZINC000775760408 1036685664 /nfs/dbraw/zinc/68/56/64/1036685664.db2.gz MNCOXWXLXTWVEK-SNVBAGLBSA-N -1 3 320.723 3.857 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1Cl ZINC000775760408 1036685679 /nfs/dbraw/zinc/68/56/79/1036685679.db2.gz MNCOXWXLXTWVEK-SNVBAGLBSA-N -1 3 320.723 3.857 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CC3CCC3)c2)n1 ZINC000492097312 1036743812 /nfs/dbraw/zinc/74/38/12/1036743812.db2.gz VLKUUOOAGQNBLS-MDZDMXLPSA-N -1 3 323.396 3.706 20 0 DHADHM O=C(CCOc1ccc2ccccc2c1)[N-]OCc1ccccc1 ZINC000915271339 1036756177 /nfs/dbraw/zinc/75/61/77/1036756177.db2.gz CPQKMLQBJZGACL-UHFFFAOYSA-N -1 3 321.376 3.857 20 0 DHADHM O=C(Nc1ccc[nH]1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197704299 1036847413 /nfs/dbraw/zinc/84/74/13/1036847413.db2.gz BMWNIWQMNSCSHV-UHFFFAOYSA-N -1 3 308.337 3.552 20 0 DHADHM C[C@H](C(=O)Nc1ccc2[nH][n-]c(=O)c2c1)c1ccccc1Cl ZINC001184475562 1036855738 /nfs/dbraw/zinc/85/57/38/1036855738.db2.gz DBXBDIFHCBDJFW-VIFPVBQESA-N -1 3 315.760 3.664 20 0 DHADHM CC(C)(C)c1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000488208526 1036902081 /nfs/dbraw/zinc/90/20/81/1036902081.db2.gz DRWNNTPXIIIRIC-UHFFFAOYSA-N -1 3 315.388 3.688 20 0 DHADHM O=C(/C=C\c1cc(F)c(F)c(F)c1)Nc1cccc([O-])c1F ZINC000492562547 1036921397 /nfs/dbraw/zinc/92/13/97/1036921397.db2.gz GZRNPDSNQHDEKO-PLNGDYQASA-N -1 3 311.234 3.601 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(CC2CC2)CCC(F)(F)CC1 ZINC001184658342 1036923636 /nfs/dbraw/zinc/92/36/36/1036923636.db2.gz XDWDBYGAEPNPBK-UHFFFAOYSA-N -1 3 310.344 3.722 20 0 DHADHM Cc1cccnc1/C=C/C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492604606 1036940808 /nfs/dbraw/zinc/94/08/08/1036940808.db2.gz PQZGFRJMLYMOAT-FNORWQNLSA-N -1 3 322.286 3.766 20 0 DHADHM Cc1ncc(NC(=S)Nc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC001198469155 1037031007 /nfs/dbraw/zinc/03/10/07/1037031007.db2.gz ZQWALNATANDVMI-UHFFFAOYSA-N -1 3 316.430 3.597 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C)cc2Cl)cc1 ZINC000774819946 1037031603 /nfs/dbraw/zinc/03/16/03/1037031603.db2.gz FVXJLEDPAWVRCE-UHFFFAOYSA-N -1 3 303.789 3.747 20 0 DHADHM COc1cccc(-c2nc(-c3cc(F)ccc3C)no2)c1[O-] ZINC000315691096 1037052904 /nfs/dbraw/zinc/05/29/04/1037052904.db2.gz NLTDLHKENODUDV-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nccn2-c2ccccc2)n1 ZINC000488638949 1037101475 /nfs/dbraw/zinc/10/14/75/1037101475.db2.gz FVSGDMWBEVKQJN-LBPRGKRZSA-N -1 3 312.398 3.530 20 0 DHADHM COc1ccc(C(=O)N(CCC(C)C)C2CCCC2)c([O-])c1 ZINC000317101551 1037180393 /nfs/dbraw/zinc/18/03/93/1037180393.db2.gz PIEFXSOOHINEFD-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(C2CCC2)nc1 ZINC001199287592 1037232644 /nfs/dbraw/zinc/23/26/44/1037232644.db2.gz QVRKCTLNEXJHKZ-UHFFFAOYSA-N -1 3 302.761 3.960 20 0 DHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2cccc(F)c2C)c1F ZINC001185835974 1037245580 /nfs/dbraw/zinc/24/55/80/1037245580.db2.gz AGXWLAHPIAXDTQ-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2c(F)cc(F)cc2F)c1[O-] ZINC001186060149 1037307019 /nfs/dbraw/zinc/30/70/19/1037307019.db2.gz WFACIEVUNUBOMB-UHFFFAOYSA-N -1 3 324.258 3.656 20 0 DHADHM COc1ccccc1CNC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001186135882 1037322372 /nfs/dbraw/zinc/32/23/72/1037322372.db2.gz UAISFNCZPRSNNC-UHFFFAOYSA-N -1 3 320.776 3.684 20 0 DHADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000153441200 1037345417 /nfs/dbraw/zinc/34/54/17/1037345417.db2.gz HPFMCKRJPYRXGR-NSHDSACASA-N -1 3 317.772 3.941 20 0 DHADHM Cn1ccnc1[C@@H]([N-]c1nc2ccccc2o1)c1cccc(F)c1 ZINC000054551827 1037360833 /nfs/dbraw/zinc/36/08/33/1037360833.db2.gz OHRNWDTXGWFVIM-INIZCTEOSA-N -1 3 322.343 3.902 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(F)n1 ZINC001186451294 1037399778 /nfs/dbraw/zinc/39/97/78/1037399778.db2.gz FYOCIEUPVDVCMZ-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001152805099 1037441213 /nfs/dbraw/zinc/44/12/13/1037441213.db2.gz IJWOPNYXYNIDSL-LBPRGKRZSA-N -1 3 303.324 3.798 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccccc2OC(F)F)n1 ZINC000763208009 1037476639 /nfs/dbraw/zinc/47/66/39/1037476639.db2.gz GGUIXXXMVLAJJJ-UHFFFAOYSA-N -1 3 312.341 3.525 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccc(OC(F)F)cc2)n1 ZINC000763209371 1037484767 /nfs/dbraw/zinc/48/47/67/1037484767.db2.gz PNKUWWTVDGXCBX-UHFFFAOYSA-N -1 3 312.341 3.525 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cccc(C(F)(F)F)c2)n1 ZINC000763215448 1037497190 /nfs/dbraw/zinc/49/71/90/1037497190.db2.gz JVYPUHBGSCTMMD-UHFFFAOYSA-N -1 3 314.332 3.943 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC001200990119 1037498424 /nfs/dbraw/zinc/49/84/24/1037498424.db2.gz PHTCUCBUXWZRCN-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001187130977 1037581556 /nfs/dbraw/zinc/58/15/56/1037581556.db2.gz XLHFZQHVNQIPJD-ONGXEEELSA-N -1 3 313.394 3.593 20 0 DHADHM O=C(Nc1ccc2ccccc2c1)c1c[n-]c2ccccc2c1=O ZINC000032644490 1037611315 /nfs/dbraw/zinc/61/13/15/1037611315.db2.gz DKWFMNQPVZHXNA-UHFFFAOYSA-N -1 3 314.344 3.934 20 0 DHADHM C[C@@H](Nc1nc2ccccc2s1)c1nc(C(F)(F)F)n[n-]1 ZINC001187733252 1037707487 /nfs/dbraw/zinc/70/74/87/1037707487.db2.gz VKBRMUPMUYKLSZ-ZCFIWIBFSA-N -1 3 313.308 3.606 20 0 DHADHM Cc1cc(Cl)ccc1OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000032767479 1037707716 /nfs/dbraw/zinc/70/77/16/1037707716.db2.gz RLYMEDPJKCYNAP-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM Cc1cc(Cl)ccc1OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000032767479 1037707731 /nfs/dbraw/zinc/70/77/31/1037707731.db2.gz RLYMEDPJKCYNAP-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1cccc(COc2ccccc2)c1 ZINC001187963407 1037752684 /nfs/dbraw/zinc/75/26/84/1037752684.db2.gz IFKVUVNEUHPZBX-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM Cc1ccc(NC(=O)[N-]c2cc(-c3ccccn3)no2)cc1F ZINC001187956169 1037761867 /nfs/dbraw/zinc/76/18/67/1037761867.db2.gz JQPDNLXCOISZNY-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154069259 1037793576 /nfs/dbraw/zinc/79/35/76/1037793576.db2.gz HRFZCHGMYATFMG-UHFFFAOYSA-N -1 3 321.720 3.674 20 0 DHADHM CCCCCC[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000032954378 1037836502 /nfs/dbraw/zinc/83/65/02/1037836502.db2.gz KAGVSTMKSUJMBZ-ZDUSSCGKSA-N -1 3 300.402 3.617 20 0 DHADHM CCC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC001188222741 1037853173 /nfs/dbraw/zinc/85/31/73/1037853173.db2.gz NLVZBXIYKKNYEF-UHFFFAOYSA-N -1 3 319.829 3.728 20 0 DHADHM O=S(=O)([N-]c1ccc(F)c(Cl)c1Cl)c1ccoc1 ZINC001188615257 1037930418 /nfs/dbraw/zinc/93/04/18/1037930418.db2.gz LJBYWGUCDFDDPY-UHFFFAOYSA-N -1 3 310.133 3.526 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C1CCC1)C(F)(F)F ZINC001188647325 1037945255 /nfs/dbraw/zinc/94/52/55/1037945255.db2.gz PUHZUSRDZOLYID-CYBMUJFWSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC(=N)C12CC3CC(CC(C3)C1)C2 ZINC001188655749 1037946751 /nfs/dbraw/zinc/94/67/51/1037946751.db2.gz ZJLTUXLSQLIVTD-UHFFFAOYSA-N -1 3 312.413 3.624 20 0 DHADHM CSc1cccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000586822555 1037988750 /nfs/dbraw/zinc/98/87/50/1037988750.db2.gz LELQLYAOKXKHDH-UHFFFAOYSA-N -1 3 324.405 3.527 20 0 DHADHM FC(F)c1nnc([N-]Cc2csc(-c3cccs3)n2)o1 ZINC000189283603 1038129571 /nfs/dbraw/zinc/12/95/71/1038129571.db2.gz NDUVYEXYNJPRDE-UHFFFAOYSA-N -1 3 314.342 3.804 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCSc1ccccc1 ZINC000775334450 1038234217 /nfs/dbraw/zinc/23/42/17/1038234217.db2.gz XSPBWVXMUVFXNX-UHFFFAOYSA-N -1 3 315.438 3.849 20 0 DHADHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190464251 1038325969 /nfs/dbraw/zinc/32/59/69/1038325969.db2.gz PPCOMEJNUJETQH-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc(C2CC2)cc1 ZINC001190464243 1038326755 /nfs/dbraw/zinc/32/67/55/1038326755.db2.gz PISZLNLQPGGSLJ-UHFFFAOYSA-N -1 3 313.422 3.854 20 0 DHADHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001190665263 1038355610 /nfs/dbraw/zinc/35/56/10/1038355610.db2.gz XWUQFZZKSIJVKW-UHFFFAOYSA-N -1 3 309.884 3.752 20 0 DHADHM CS[C@H](C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151935206 1038436683 /nfs/dbraw/zinc/43/66/83/1038436683.db2.gz AULVYJXLWCDXDU-GFCCVEGCSA-N -1 3 317.410 3.666 20 0 DHADHM CCCCc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC001191249059 1038476576 /nfs/dbraw/zinc/47/65/76/1038476576.db2.gz MWLTZSPRTXLFNH-UHFFFAOYSA-N -1 3 323.389 3.675 20 0 DHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccccc1F ZINC001191857005 1038551871 /nfs/dbraw/zinc/55/18/71/1038551871.db2.gz WIOJZJXCLBUQEE-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM CCSCC[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598692189 1038838708 /nfs/dbraw/zinc/83/87/08/1038838708.db2.gz YBJMAKKKZVTRDN-VIFPVBQESA-N -1 3 321.364 3.673 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000573807839 1039073750 /nfs/dbraw/zinc/07/37/50/1039073750.db2.gz CJNDLDXGVWFNKT-SCLBCKFNSA-N -1 3 314.385 3.589 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCc3sccc3C2)c1 ZINC000593422929 1039542335 /nfs/dbraw/zinc/54/23/35/1039542335.db2.gz WGRBUAZPPSUWQE-UHFFFAOYSA-N -1 3 301.411 3.605 20 0 DHADHM CC(C)Oc1ccccc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000226610480 1039730362 /nfs/dbraw/zinc/73/03/62/1039730362.db2.gz GOPQJYHRUVEFKA-VIFPVBQESA-N -1 3 307.287 3.551 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000606628505 1039930542 /nfs/dbraw/zinc/93/05/42/1039930542.db2.gz KJQKXYDFSNXJON-SOUVJXGZSA-N -1 3 320.408 3.689 20 0 DHADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000606909383 1040031664 /nfs/dbraw/zinc/03/16/64/1040031664.db2.gz XRIRCTDFMNLANI-VIFPVBQESA-N -1 3 310.246 3.564 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000607616811 1040208150 /nfs/dbraw/zinc/20/81/50/1040208150.db2.gz RQDYZFGKMUKAPX-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc2ccsc2c1 ZINC000608354903 1040467858 /nfs/dbraw/zinc/46/78/58/1040467858.db2.gz ZIXSTQOADMXBDZ-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM CO[C@](C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000533994950 1040675341 /nfs/dbraw/zinc/67/53/41/1040675341.db2.gz AZMCKLICMRUASG-INIZCTEOSA-N -1 3 305.761 3.546 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c([O-])c1 ZINC000456566866 1040868719 /nfs/dbraw/zinc/86/87/19/1040868719.db2.gz LAYUMLRROKNGSZ-QGZVFWFLSA-N -1 3 311.381 3.915 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1[O-] ZINC000092429785 185317875 /nfs/dbraw/zinc/31/78/75/185317875.db2.gz BWIGURNEPNFSKX-MRXNPFEDSA-N -1 3 323.392 3.578 20 0 DHADHM O=C([N-]c1nc(C2CC2)cs1)c1occc1Br ZINC000081010653 192213198 /nfs/dbraw/zinc/21/31/98/192213198.db2.gz NULAMEHAHWUKFV-UHFFFAOYSA-N -1 3 313.176 3.628 20 0 DHADHM O=C(c1ccc(C(=O)N2CCCCCC2)cc1)c1cccc([O-])c1 ZINC000186899854 200028758 /nfs/dbraw/zinc/02/87/58/200028758.db2.gz KRWOXQCMLUIWRD-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1csc(Cl)c1Cl ZINC000417569064 334989777 /nfs/dbraw/zinc/98/97/77/334989777.db2.gz CDROQFIXEBCKGZ-PELKAZGASA-N -1 3 308.230 3.788 20 0 DHADHM O=C([O-])CC1(CNCc2csc(Cl)c2Cl)CCC1 ZINC000417567340 334991165 /nfs/dbraw/zinc/99/11/65/334991165.db2.gz OIARWPLCZHTTMI-UHFFFAOYSA-N -1 3 308.230 3.790 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000417573913 334994574 /nfs/dbraw/zinc/99/45/74/334994574.db2.gz IDIWVTBASDNHPF-QPUJVOFHSA-N -1 3 308.230 3.788 20 0 DHADHM CCc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)oc1CC ZINC000182721703 335002832 /nfs/dbraw/zinc/00/28/32/335002832.db2.gz OMQJHYKAIIAUBU-UHFFFAOYSA-N -1 3 316.405 3.753 20 0 DHADHM Cc1cccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000417600788 335002991 /nfs/dbraw/zinc/00/29/91/335002991.db2.gz KCAOSSSPRZOBBC-INIZCTEOSA-N -1 3 301.361 3.830 20 0 DHADHM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000417604036 335003926 /nfs/dbraw/zinc/00/39/26/335003926.db2.gz SYDKGTANYLFGLU-QGZVFWFLSA-N -1 3 301.361 3.830 20 0 DHADHM COc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000417605895 335006720 /nfs/dbraw/zinc/00/67/20/335006720.db2.gz ZEXATXFYYFZLBR-KRWDZBQOSA-N -1 3 313.397 3.699 20 0 DHADHM CCc1cccc(F)c1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417623378 335017949 /nfs/dbraw/zinc/01/79/49/335017949.db2.gz JPIGKLGUXQRYGX-YJBOKZPZSA-N -1 3 313.372 3.791 20 0 DHADHM CC(C)c1ncc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417630741 335018747 /nfs/dbraw/zinc/01/87/47/335018747.db2.gz RHLCVPZPUBTWDF-GJZGRUSLSA-N -1 3 316.426 3.669 20 0 DHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000016130206 182034753 /nfs/dbraw/zinc/03/47/53/182034753.db2.gz KYRHEMHYDKAODZ-UHFFFAOYSA-N -1 3 301.411 3.539 20 0 DHADHM CCc1cc(OC)ccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417668883 335035572 /nfs/dbraw/zinc/03/55/72/335035572.db2.gz LBTWWSZQLMPXSE-UHFFFAOYSA-N -1 3 313.397 3.554 20 0 DHADHM Cc1ccc(NC(=O)c2ccccc2Br)c([O-])c1 ZINC000039485564 183019474 /nfs/dbraw/zinc/01/94/74/183019474.db2.gz GCJSGGVNHDMNGS-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4CCCCS4)no3)[n-]n2)c1 ZINC000273957147 130192280 /nfs/dbraw/zinc/19/22/80/130192280.db2.gz JHBZATYUZJLELZ-LBPRGKRZSA-N -1 3 302.359 3.678 20 0 DHADHM c1coc(-c2cc(-c3nc([C@@H]4CCCCS4)no3)n[n-]2)c1 ZINC000273957147 130192281 /nfs/dbraw/zinc/19/22/81/130192281.db2.gz JHBZATYUZJLELZ-LBPRGKRZSA-N -1 3 302.359 3.678 20 0 DHADHM CO[C@@H]1CCC[C@@H](CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)C1 ZINC000281739756 130881970 /nfs/dbraw/zinc/88/19/70/130881970.db2.gz YJTQGVODSBFBQN-RBSFLKMASA-N -1 3 317.429 3.828 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000285188163 131145629 /nfs/dbraw/zinc/14/56/29/131145629.db2.gz TVJCHKULCCAZAG-UHFFFAOYSA-N -1 3 301.824 3.803 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c([O-])c1 ZINC000285999113 131214662 /nfs/dbraw/zinc/21/46/62/131214662.db2.gz MNVOHGBAUGDNHV-INIZCTEOSA-N -1 3 313.401 3.606 20 0 DHADHM O=c1nc(-c2ccc(F)cn2)[n-]c2sc3c(c21)CCCCC3 ZINC000286980979 131258854 /nfs/dbraw/zinc/25/88/54/131258854.db2.gz CQACVXLHBCBKHU-UHFFFAOYSA-N -1 3 315.373 3.867 20 0 DHADHM COCCCO[N-]C(=O)Nc1cccc(-c2cccs2)c1 ZINC000287105086 131264628 /nfs/dbraw/zinc/26/46/28/131264628.db2.gz UMLQTIDWIMPWAG-UHFFFAOYSA-N -1 3 306.387 3.505 20 0 DHADHM COC[C@H](NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1 ZINC000288533392 131329623 /nfs/dbraw/zinc/32/96/23/131329623.db2.gz KHWMXUZNGKPTGC-INIZCTEOSA-N -1 3 309.768 3.662 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000289037716 131354121 /nfs/dbraw/zinc/35/41/21/131354121.db2.gz DPCYFPMGIWLALU-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCSc2ccccc21 ZINC000340315658 131389574 /nfs/dbraw/zinc/38/95/74/131389574.db2.gz DQPAUOFYODWNSK-LBPRGKRZSA-N -1 3 303.358 3.749 20 0 DHADHM Cc1ccc(-c2nc(-c3cn(C)nc3C(C)C)no2)c([O-])c1C ZINC000293044066 131702687 /nfs/dbraw/zinc/70/26/87/131702687.db2.gz OSVUQNFWUSKGMO-UHFFFAOYSA-N -1 3 312.373 3.583 20 0 DHADHM COc1cccc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c1[O-] ZINC000298436701 132062947 /nfs/dbraw/zinc/06/29/47/132062947.db2.gz YHAQCMZZWMIUPZ-ZDUSSCGKSA-N -1 3 311.381 3.767 20 0 DHADHM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1cccc(F)c1 ZINC000299089959 132088367 /nfs/dbraw/zinc/08/83/67/132088367.db2.gz ULNFEQBETSOJQZ-UHFFFAOYSA-N -1 3 317.389 3.561 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000184754602 335087715 /nfs/dbraw/zinc/08/77/15/335087715.db2.gz TYXMBCJYFUYSJR-SUMWQHHRSA-N -1 3 310.397 3.573 20 0 DHADHM CCCCOc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448760400 332779188 /nfs/dbraw/zinc/77/91/88/332779188.db2.gz AMAUQGLLMOLJJB-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM Cc1ccc(CN(C(=O)Cc2ccc([O-])c(F)c2)C(C)C)s1 ZINC000448790600 332788750 /nfs/dbraw/zinc/78/87/50/332788750.db2.gz JYUYISVHADNSIH-UHFFFAOYSA-N -1 3 321.417 3.881 20 0 DHADHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccccc2[O-])CC1 ZINC000174648523 332860862 /nfs/dbraw/zinc/86/08/62/332860862.db2.gz HHPZZYGUJAZRCL-GPANFISMSA-N -1 3 317.429 3.592 20 0 DHADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000175431418 332890280 /nfs/dbraw/zinc/89/02/80/332890280.db2.gz WHVDRISXEJIVTH-NHYWBVRUSA-N -1 3 315.369 3.613 20 0 DHADHM Cc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)c([O-])c1 ZINC000115235725 331696654 /nfs/dbraw/zinc/69/66/54/331696654.db2.gz CEXMVWKZJKAKIQ-INIZCTEOSA-N -1 3 313.422 3.631 20 0 DHADHM O=c1cc(CSC[C@@H]2CCCCO2)nc(-c2ccccc2)[n-]1 ZINC000557295546 331781539 /nfs/dbraw/zinc/78/15/39/331781539.db2.gz RLDLHAPIZMEEFD-HNNXBMFYSA-N -1 3 316.426 3.652 20 0 DHADHM C[C@H]1COCC[C@@H]1c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000557684246 331808347 /nfs/dbraw/zinc/80/83/47/331808347.db2.gz AMJHXVKSDOUKQK-FZMZJTMJSA-N -1 3 310.353 3.735 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)CCCCC2=O ZINC000558956961 331961286 /nfs/dbraw/zinc/96/12/86/331961286.db2.gz KBAKATLIGWWZID-UHFFFAOYSA-N -1 3 313.328 3.693 20 0 DHADHM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000517965393 331980889 /nfs/dbraw/zinc/98/08/89/331980889.db2.gz HRQSCGIRAFTMTN-ZDUSSCGKSA-N -1 3 304.777 3.875 20 0 DHADHM COc1ccc(CNCCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000518381389 332021607 /nfs/dbraw/zinc/02/16/07/332021607.db2.gz NZXZEAKEGUYFCT-UHFFFAOYSA-N -1 3 323.408 3.739 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccccc1 ZINC000426776008 332093697 /nfs/dbraw/zinc/09/36/97/332093697.db2.gz DUNLTYYIHSTDGU-IBGZPJMESA-N -1 3 318.376 3.664 20 0 DHADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1[O-] ZINC000500124703 332114050 /nfs/dbraw/zinc/11/40/50/332114050.db2.gz RZBZISZEWIEMDB-YPMHNXCESA-N -1 3 315.335 3.799 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccccc1 ZINC000410418483 332125413 /nfs/dbraw/zinc/12/54/13/332125413.db2.gz MYDKZKGVUZWEOI-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000092517939 332132834 /nfs/dbraw/zinc/13/28/34/332132834.db2.gz GWQJLFDEILDMDT-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM O=C([O-])[C@@H](NCc1csc2ccccc12)c1cccc(F)c1 ZINC000426807696 332151783 /nfs/dbraw/zinc/15/17/83/332151783.db2.gz ORRXWZDUCIVFFZ-INIZCTEOSA-N -1 3 315.369 3.956 20 0 DHADHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426779900 332152387 /nfs/dbraw/zinc/15/23/87/332152387.db2.gz MKSLSFXOFITCRF-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM O=c1[n-]c(CN2C[C@@H]3CCCC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000426797238 332154861 /nfs/dbraw/zinc/15/48/61/332154861.db2.gz AQRWNTBHDGFHNX-BETUJISGSA-N -1 3 323.396 3.704 20 0 DHADHM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426826926 332155664 /nfs/dbraw/zinc/15/56/64/332155664.db2.gz QLDDCYZIQMSXQM-QGZVFWFLSA-N -1 3 317.360 3.528 20 0 DHADHM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426829015 332155989 /nfs/dbraw/zinc/15/59/89/332155989.db2.gz NKPXGAPATYTTLY-MRXNPFEDSA-N -1 3 319.426 3.843 20 0 DHADHM CCc1ccc([C@H](NCc2cccc3cc[nH]c32)C(=O)[O-])cc1 ZINC000426827264 332156006 /nfs/dbraw/zinc/15/60/06/332156006.db2.gz VRVMLBJMGSRKPE-SFHVURJKSA-N -1 3 308.381 3.646 20 0 DHADHM Cc1cc(C)cc(C[C@@H](NCc2ccsc2Cl)C(=O)[O-])c1 ZINC000426824054 332157848 /nfs/dbraw/zinc/15/78/48/332157848.db2.gz GGMBDRULYADWPH-CQSZACIVSA-N -1 3 323.845 3.804 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000215688079 332196238 /nfs/dbraw/zinc/19/62/38/332196238.db2.gz NRBORIUVWJCPBN-NSHDSACASA-N -1 3 311.337 3.638 20 0 DHADHM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000559936746 332295219 /nfs/dbraw/zinc/29/52/19/332295219.db2.gz GUXATSGPCMEWMS-JTQLQIEISA-N -1 3 319.763 3.944 20 0 DHADHM COC(=O)c1cc(C(=O)Nc2cccc(-c3ccccc3)c2)c[n-]1 ZINC000560618393 332370597 /nfs/dbraw/zinc/37/05/97/332370597.db2.gz CVBFPLZLVIBMET-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM CC(=O)c1c(C)cc(C)c(CN2CCC[C@@](C)(C(=O)[O-])C2)c1C ZINC000583386095 332379134 /nfs/dbraw/zinc/37/91/34/332379134.db2.gz GQBSKZGYMNPLHA-LJQANCHMSA-N -1 3 317.429 3.501 20 0 DHADHM CCc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)o1 ZINC000560713847 332380178 /nfs/dbraw/zinc/38/01/78/332380178.db2.gz BGWVWHCEAWHYAC-UHFFFAOYSA-N -1 3 302.374 3.801 20 0 DHADHM CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448964122 332535446 /nfs/dbraw/zinc/53/54/46/332535446.db2.gz DGHKJNZGBOBTPY-LJQANCHMSA-N -1 3 315.388 3.930 20 0 DHADHM [O-]c1ccc(CCCc2nc(Cc3ccccc3)no2)cc1F ZINC000527296221 332560993 /nfs/dbraw/zinc/56/09/93/332560993.db2.gz GTAATNRCBLDHHU-UHFFFAOYSA-N -1 3 312.344 3.680 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@H](O)[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000408462520 332561744 /nfs/dbraw/zinc/56/17/44/332561744.db2.gz DOMVHNUEJOLFKM-GUYCJALGSA-N -1 3 319.445 3.624 20 0 DHADHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)c(OC)cc1Cl ZINC000317986546 332572049 /nfs/dbraw/zinc/57/20/49/332572049.db2.gz RGHIZTMYANMQNQ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cc1cccc([C@@H](NCc2ccnc3ccccc23)C(=O)[O-])c1C ZINC000562369104 332585009 /nfs/dbraw/zinc/58/50/09/332585009.db2.gz JGUBKIVSPOLKCF-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM Cc1conc1[N-]C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000179132837 333024466 /nfs/dbraw/zinc/02/44/66/333024466.db2.gz PCKGFTHBFJNLED-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM COc1nc(C(=O)Nc2c(C)cccc2[O-])cc2ccccc21 ZINC000179549385 333025552 /nfs/dbraw/zinc/02/55/52/333025552.db2.gz IWTYLKKCSHFCMO-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(C(F)F)c2)c1[O-] ZINC000179515411 333025800 /nfs/dbraw/zinc/02/58/00/333025800.db2.gz SSAVSTIYTQGVQL-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000188871301 333056415 /nfs/dbraw/zinc/05/64/15/333056415.db2.gz NTLBKDSYGFLJBD-AWEZNQCLSA-N -1 3 322.412 3.614 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000188871301 333056417 /nfs/dbraw/zinc/05/64/17/333056417.db2.gz NTLBKDSYGFLJBD-AWEZNQCLSA-N -1 3 322.412 3.614 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188871301 333056418 /nfs/dbraw/zinc/05/64/18/333056418.db2.gz NTLBKDSYGFLJBD-AWEZNQCLSA-N -1 3 322.412 3.614 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460438776 333087827 /nfs/dbraw/zinc/08/78/27/333087827.db2.gz RJZSROTUKZTSSE-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460447923 333088660 /nfs/dbraw/zinc/08/86/60/333088660.db2.gz LWVOIWPNBJQLSA-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000497158749 333183240 /nfs/dbraw/zinc/18/32/40/333183240.db2.gz VRECKQBUAMYNIP-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM COC(=O)Nc1cccc(NC([O-])=NOC2CCCCC2)c1C ZINC000497227489 333224496 /nfs/dbraw/zinc/22/44/96/333224496.db2.gz NUYYWSNTXJSCIE-UHFFFAOYSA-N -1 3 321.377 3.559 20 0 DHADHM COC(=O)Nc1cccc(NC(=O)[N-]OC2CCCCC2)c1C ZINC000497227489 333224498 /nfs/dbraw/zinc/22/44/98/333224498.db2.gz NUYYWSNTXJSCIE-UHFFFAOYSA-N -1 3 321.377 3.559 20 0 DHADHM O=C(COc1cccc(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000497563569 333263466 /nfs/dbraw/zinc/26/34/66/333263466.db2.gz BNGLPDQNCNLXCH-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000319238899 333276741 /nfs/dbraw/zinc/27/67/41/333276741.db2.gz PTLUAQVHUZTDCD-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)c1ccc(F)cc1F ZINC000497692584 333278897 /nfs/dbraw/zinc/27/88/97/333278897.db2.gz SEPPUZMFCQLBAI-VIFPVBQESA-N -1 3 313.373 3.915 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000531198694 333330978 /nfs/dbraw/zinc/33/09/78/333330978.db2.gz MBNVDZKVDHRMRE-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC000531198687 333331151 /nfs/dbraw/zinc/33/11/51/333331151.db2.gz JVFMBBBMWRCNBY-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(OC(F)F)c1 ZINC000184136259 333342064 /nfs/dbraw/zinc/34/20/64/333342064.db2.gz NVQVILHOIGQQTF-SNVBAGLBSA-N -1 3 311.303 3.984 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1csc(-c2ccccc2)n1 ZINC000531373055 333347116 /nfs/dbraw/zinc/34/71/16/333347116.db2.gz HPSQFXWAPFVHQW-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM C[C@@H]1CC[C@](CNCc2ccsc2Cl)(CC(=O)[O-])C1 ZINC000426626923 333481419 /nfs/dbraw/zinc/48/14/19/333481419.db2.gz BQKCAUFCYUKABT-QMTHXVAHSA-N -1 3 301.839 3.772 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC4(CC4)C3)c(=O)c2c1 ZINC000186056205 335153625 /nfs/dbraw/zinc/15/36/25/335153625.db2.gz DVRCDBURNYIHHE-UHFFFAOYSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1ccc(CC)c(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000412157426 333734014 /nfs/dbraw/zinc/73/40/14/333734014.db2.gz MBUGNCWMMCRSHS-UHFFFAOYSA-N -1 3 311.381 3.972 20 0 DHADHM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436624311 333981625 /nfs/dbraw/zinc/98/16/25/333981625.db2.gz JIIXDOKNKDKCHI-GFCCVEGCSA-N -1 3 317.360 3.648 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(SC)c2)c1[O-] ZINC000436755579 333997719 /nfs/dbraw/zinc/99/77/19/333997719.db2.gz NYZMUUFXVPSFPH-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000436833745 334004566 /nfs/dbraw/zinc/00/45/66/334004566.db2.gz MLNWXMYKLLZOOS-KRWDZBQOSA-N -1 3 309.409 3.584 20 0 DHADHM Cc1ccc(SCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436900714 334015850 /nfs/dbraw/zinc/01/58/50/334015850.db2.gz JLTXQHLSAVFHDO-UHFFFAOYSA-N -1 3 301.411 3.531 20 0 DHADHM O=C([O-])[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000414678894 334067384 /nfs/dbraw/zinc/06/73/84/334067384.db2.gz JWZNKECPMGGUQM-NSHDSACASA-N -1 3 321.323 3.521 20 0 DHADHM CCc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)c([O-])c1 ZINC000276595552 334083088 /nfs/dbraw/zinc/08/30/88/334083088.db2.gz XDJHHPSDFWSGNN-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM Cc1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C2CC2)n1 ZINC000343591025 335180061 /nfs/dbraw/zinc/18/00/61/335180061.db2.gz AWXVHXBHKUCGBZ-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM C[C@@H](C[C@@H](O)c1cccs1)NCc1cccc([O-])c1Cl ZINC000293156270 334196008 /nfs/dbraw/zinc/19/60/08/334196008.db2.gz FGELLPJAMMOXFC-GXFFZTMASA-N -1 3 311.834 3.709 20 0 DHADHM C[C@H](C[C@@H](O)c1cccs1)NCc1cccc([O-])c1Cl ZINC000293156278 334196043 /nfs/dbraw/zinc/19/60/43/334196043.db2.gz FGELLPJAMMOXFC-ZWNOBZJWSA-N -1 3 311.834 3.709 20 0 DHADHM CC(F)(F)CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000295468103 334223851 /nfs/dbraw/zinc/22/38/51/334223851.db2.gz HSBVDJVMZUHTQM-UHFFFAOYSA-N -1 3 311.250 3.576 20 0 DHADHM COc1cccc(-c2nc(C(C)(C)c3ccccc3)no2)c1[O-] ZINC000320383009 334258291 /nfs/dbraw/zinc/25/82/91/334258291.db2.gz BPWMCZABPVUTBL-UHFFFAOYSA-N -1 3 310.353 3.777 20 0 DHADHM CC1(C)C[C@@H](NCc2cc([O-])cc(F)c2)c2cc(N)ccc2O1 ZINC000415034054 334260322 /nfs/dbraw/zinc/26/03/22/334260322.db2.gz KTDMEXRAEXKMPN-MRXNPFEDSA-N -1 3 316.376 3.506 20 0 DHADHM Cc1ccccc1-c1cnc(C[S@@](=O)c2ccc([O-])cc2)o1 ZINC000534527890 334278961 /nfs/dbraw/zinc/27/89/61/334278961.db2.gz ZOPPPOYGVXIHTI-JOCHJYFZSA-N -1 3 313.378 3.663 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2COc3ccccc3C2)c1[O-] ZINC000534705919 334328911 /nfs/dbraw/zinc/32/89/11/334328911.db2.gz UDFXTDDLPPKCGN-GFCCVEGCSA-N -1 3 317.772 3.544 20 0 DHADHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000303834084 334333542 /nfs/dbraw/zinc/33/35/42/334333542.db2.gz RKVNTWPVIDZLEU-CQSZACIVSA-N -1 3 321.417 3.525 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000534918823 334348562 /nfs/dbraw/zinc/34/85/62/334348562.db2.gz MVHIXKZIIXZWNN-CYBMUJFWSA-N -1 3 317.772 3.802 20 0 DHADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529170256 334354726 /nfs/dbraw/zinc/35/47/26/334354726.db2.gz IATADCKBIFGETH-JTQLQIEISA-N -1 3 324.218 3.559 20 0 DHADHM COc1cc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)ccc1[O-] ZINC000443137148 338445272 /nfs/dbraw/zinc/44/52/72/338445272.db2.gz YGXRSERGZSZHNO-CQSZACIVSA-N -1 3 317.429 3.833 20 0 DHADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc([O-])ccc2Cl)o1 ZINC000340827277 334388164 /nfs/dbraw/zinc/38/81/64/334388164.db2.gz XEJSZUQOSLRYDN-JTQLQIEISA-N -1 3 307.777 3.698 20 0 DHADHM CCCCOc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)cc1 ZINC000342599718 334558421 /nfs/dbraw/zinc/55/84/21/334558421.db2.gz FRAQBZKRKOHSDM-ZDUSSCGKSA-N -1 3 315.417 3.520 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2occ3c2CCC3)c(F)c1 ZINC000342702591 334567226 /nfs/dbraw/zinc/56/72/26/334567226.db2.gz DFILPAJOVCYGMO-UHFFFAOYSA-N -1 3 305.280 3.501 20 0 DHADHM O=C([N-]c1scnc1C1CC1)c1c(F)c(F)cc(F)c1F ZINC000342875354 334585748 /nfs/dbraw/zinc/58/57/48/334585748.db2.gz WIZFXVYFSJZKIW-UHFFFAOYSA-N -1 3 316.279 3.829 20 0 DHADHM CC(F)(F)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000343144803 334603297 /nfs/dbraw/zinc/60/32/97/334603297.db2.gz WOFKHMPKLOVPNE-UHFFFAOYSA-N -1 3 309.287 3.573 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416283579 334659781 /nfs/dbraw/zinc/65/97/81/334659781.db2.gz FZMMDMGRMIPAIT-UKRRQHHQSA-N -1 3 307.409 3.747 20 0 DHADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)ccc1[O-] ZINC000416285618 334659900 /nfs/dbraw/zinc/65/99/00/334659900.db2.gz HLUCDPAWNQDRJR-ZIAGYGMSSA-N -1 3 305.418 3.688 20 0 DHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(C3CC3)cc2)ccc1[O-] ZINC000416292675 334661271 /nfs/dbraw/zinc/66/12/71/334661271.db2.gz SHACXUVMTHSAPR-LBPRGKRZSA-N -1 3 311.381 3.769 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N(CC(F)F)C(C)C)c(=O)c2c1 ZINC000165103338 334769543 /nfs/dbraw/zinc/76/95/43/334769543.db2.gz BQTAJBRXKVNGHG-UHFFFAOYSA-N -1 3 322.355 3.673 20 0 DHADHM COC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCCC1 ZINC000331042281 334831354 /nfs/dbraw/zinc/83/13/54/334831354.db2.gz FHTVJRQSOGBFCT-UHFFFAOYSA-N -1 3 317.307 3.699 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(OC)cc1[O-] ZINC000331289478 334855079 /nfs/dbraw/zinc/85/50/79/334855079.db2.gz OCEIAPWNRAIOPI-MRRJBJDNSA-N -1 3 321.417 3.713 20 0 DHADHM CCC1CCC(N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000331306705 334856260 /nfs/dbraw/zinc/85/62/60/334856260.db2.gz BAETTYYVHKEFTD-UHFFFAOYSA-N -1 3 303.402 3.636 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1[O-] ZINC000331348930 334857758 /nfs/dbraw/zinc/85/77/58/334857758.db2.gz NCWPQIPPGDXAQF-GUYCJALGSA-N -1 3 323.392 3.613 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(Cl)c1 ZINC000343974770 335204575 /nfs/dbraw/zinc/20/45/75/335204575.db2.gz JJHOQPQGYCQHQK-UHFFFAOYSA-N -1 3 311.775 3.765 20 0 DHADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccccc1SC ZINC000345128090 335303742 /nfs/dbraw/zinc/30/37/42/335303742.db2.gz PHYMALMSKSCAHG-UHFFFAOYSA-N -1 3 313.382 3.546 20 0 DHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)sc1C ZINC000345658704 335344195 /nfs/dbraw/zinc/34/41/95/335344195.db2.gz UMNGHAWGDMQENH-UHFFFAOYSA-N -1 3 316.361 3.541 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000345934914 335361957 /nfs/dbraw/zinc/36/19/57/335361957.db2.gz JBYPVMJXCCIKFG-FOUMNBMASA-N -1 3 312.369 3.554 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000345938218 335362255 /nfs/dbraw/zinc/36/22/55/335362255.db2.gz LQRAPYSVBPMNQE-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CSc2ccc(F)cc2)n1 ZINC000345946978 335362952 /nfs/dbraw/zinc/36/29/52/335362952.db2.gz VIPHAKSJEQKMOA-JTQLQIEISA-N -1 3 320.389 3.602 20 0 DHADHM Cc1ccc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)cn1 ZINC000345947137 335363079 /nfs/dbraw/zinc/36/30/79/335363079.db2.gz FTCOHBOXNZKXQP-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc([O-])ccc1Cl ZINC000346261982 335396015 /nfs/dbraw/zinc/39/60/15/335396015.db2.gz YDKJXHGRXFDLGL-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM O=C([N-]c1csc(-c2ccncc2)n1)c1sccc1F ZINC000346767476 335439111 /nfs/dbraw/zinc/43/91/11/335439111.db2.gz MOAUQRRHTLNNCG-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000346836207 335444811 /nfs/dbraw/zinc/44/48/11/335444811.db2.gz YQNZGPBYUWLJKK-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CC(C)C[C@@H](C)OCCC(=O)N1CCCc2cccc([O-])c21 ZINC000347637477 335512560 /nfs/dbraw/zinc/51/25/60/335512560.db2.gz ACFNWMAJORKRCZ-CQSZACIVSA-N -1 3 305.418 3.513 20 0 DHADHM [O-]c1cccnc1CNCc1ccccc1OCc1ccccc1 ZINC000347824996 335530817 /nfs/dbraw/zinc/53/08/17/335530817.db2.gz JVZQQPKSROUMLC-UHFFFAOYSA-N -1 3 320.392 3.656 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cn1 ZINC000348797184 335610665 /nfs/dbraw/zinc/61/06/65/335610665.db2.gz PTBBWYAHHMNVAV-MRVPVSSYSA-N -1 3 311.168 3.585 20 0 DHADHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1Cl ZINC000349852836 335704055 /nfs/dbraw/zinc/70/40/55/335704055.db2.gz KNBOZUMMQYGEGZ-GFCCVEGCSA-N -1 3 310.806 3.629 20 0 DHADHM CC[C@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094080077 335712354 /nfs/dbraw/zinc/71/23/54/335712354.db2.gz NLSWPNLMRBYAJS-AWEZNQCLSA-N -1 3 313.397 3.842 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1[O-] ZINC000519094565 335798799 /nfs/dbraw/zinc/79/87/99/335798799.db2.gz CQFNTQASLKYOJE-QGZVFWFLSA-N -1 3 311.381 3.915 20 0 DHADHM COc1ccc(C[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000536230110 335833065 /nfs/dbraw/zinc/83/30/65/335833065.db2.gz BDKAFDGCNXVFAZ-LLVKDONJSA-N -1 3 319.788 3.872 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2NC(C)C)c1 ZINC000536687544 335865326 /nfs/dbraw/zinc/86/53/26/335865326.db2.gz DYMHVZUKMAPENF-UHFFFAOYSA-N -1 3 318.348 3.613 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000351758849 336065682 /nfs/dbraw/zinc/06/56/82/336065682.db2.gz JXQHPIXCZFKSLZ-WDEREUQCSA-N -1 3 301.402 3.776 20 0 DHADHM CCN(Cc1cccc(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000351804146 336068038 /nfs/dbraw/zinc/06/80/38/336068038.db2.gz QVZGSBDHKWSWLV-UHFFFAOYSA-N -1 3 307.752 3.847 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnn1C1CCCC1 ZINC000331950779 336153990 /nfs/dbraw/zinc/15/39/90/336153990.db2.gz GQDPTHIZYREHJC-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM CC(C)CN(C(=O)c1ccccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000332313653 336167742 /nfs/dbraw/zinc/16/77/42/336167742.db2.gz HBILVMZENGSINZ-QGZVFWFLSA-N -1 3 324.424 3.963 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332336077 336168753 /nfs/dbraw/zinc/16/87/53/336168753.db2.gz QCHVPPPJDWXTRN-TZMCWYRMSA-N -1 3 321.808 3.759 20 0 DHADHM O=c1cc(C=Cc2ncc(C(F)(F)F)s2)nc(C2CC2)[n-]1 ZINC000352021269 336189620 /nfs/dbraw/zinc/18/96/20/336189620.db2.gz NXRVNHBAHWJRIZ-ONEGZZNKSA-N -1 3 313.304 3.705 20 0 DHADHM CCOc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OC ZINC000352021610 336189684 /nfs/dbraw/zinc/18/96/84/336189684.db2.gz QALVUCXYAFXVML-XBXARRHUSA-N -1 3 312.369 3.637 20 0 DHADHM COc1cc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352025638 336190098 /nfs/dbraw/zinc/19/00/98/336190098.db2.gz FMQPLYJHENKKBB-SREVYHEPSA-N -1 3 312.369 3.556 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)c1ccc2cc[nH]c2c1 ZINC000352172228 336198911 /nfs/dbraw/zinc/19/89/11/336198911.db2.gz RFWHNEMIHPNHOH-UHFFFAOYSA-N -1 3 300.745 3.804 20 0 DHADHM CCc1nc(C)c(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000352210428 336203053 /nfs/dbraw/zinc/20/30/53/336203053.db2.gz JYHFTHIFCHHMIU-UHFFFAOYSA-N -1 3 310.806 3.554 20 0 DHADHM O=S(=O)([N-]c1c(F)cccc1F)c1cc(F)ccc1Cl ZINC000103057819 336237513 /nfs/dbraw/zinc/23/75/13/336237513.db2.gz LRAWVRVXQRYBHW-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM [O-]c1ccc(CNCc2cscc2C(F)(F)F)cc1F ZINC000352809946 336244457 /nfs/dbraw/zinc/24/44/57/336244457.db2.gz KQPMPTQSRIAGAJ-UHFFFAOYSA-N -1 3 305.296 3.901 20 0 DHADHM Cc1ccnn1-c1ccccc1NCc1c(F)ccc([O-])c1F ZINC000352871908 336286252 /nfs/dbraw/zinc/28/62/52/336286252.db2.gz VBGDFXXGSGTJBY-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM Cc1cccc(C[N-]c2nc(-c3cccc(Cl)c3)no2)n1 ZINC000301178583 336293454 /nfs/dbraw/zinc/29/34/54/336293454.db2.gz GYBOJLMGXKXCTG-UHFFFAOYSA-N -1 3 300.749 3.706 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@@H]3CC=CCC3)nc2)n1 ZINC000302137929 336350206 /nfs/dbraw/zinc/35/02/06/336350206.db2.gz ILFBPIQYDDFXRR-CQSZACIVSA-N -1 3 324.428 3.599 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000353039761 336387808 /nfs/dbraw/zinc/38/78/08/336387808.db2.gz LLMZDKYROAACEL-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000108988139 336394825 /nfs/dbraw/zinc/39/48/25/336394825.db2.gz SVFJLJGLNIXRAJ-UHFFFAOYSA-N -1 3 324.475 3.743 20 0 DHADHM O=C([O-])c1cccc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000389497380 336396506 /nfs/dbraw/zinc/39/65/06/336396506.db2.gz UPFWTALADGSQMJ-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM Cc1ccc([O-])c(CNCC(F)(F)c2ccc(Cl)cc2)n1 ZINC000353086872 336400264 /nfs/dbraw/zinc/40/02/64/336400264.db2.gz MWIAGVILORIZOX-UHFFFAOYSA-N -1 3 312.747 3.631 20 0 DHADHM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2ncccc2c1 ZINC000353678317 336434221 /nfs/dbraw/zinc/43/42/21/336434221.db2.gz OZXZXBSTBRQAIB-UHFFFAOYSA-N -1 3 324.405 3.524 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)ccc1[O-] ZINC000353902003 336446970 /nfs/dbraw/zinc/44/69/70/336446970.db2.gz NEAVWKBBJXMTBG-CQSZACIVSA-N -1 3 317.385 3.807 20 0 DHADHM Cc1nccc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000354345432 336467726 /nfs/dbraw/zinc/46/77/26/336467726.db2.gz NPWYDABUVAUYCD-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](Cc2ccccc2)C1 ZINC000354713627 336479620 /nfs/dbraw/zinc/47/96/20/336479620.db2.gz QVNOHZXGVRDTBX-CQSZACIVSA-N -1 3 315.800 3.750 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000355328637 336504405 /nfs/dbraw/zinc/50/44/05/336504405.db2.gz IMYFAPLTHCHPOA-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM CCc1nc(C(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)o1 ZINC000355446267 336509489 /nfs/dbraw/zinc/50/94/89/336509489.db2.gz XTNPEZOIGPXPRV-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM C[C@]1(NC(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1c1ccccc1 ZINC000356496973 336552053 /nfs/dbraw/zinc/55/20/53/336552053.db2.gz VSVGCARHSFAARD-QAPCUYQASA-N -1 3 315.800 3.651 20 0 DHADHM COC(=O)c1cc(/C=C/c2ccc3cc(C)cc([O-])c3n2)cn1C ZINC000357081604 336573085 /nfs/dbraw/zinc/57/30/85/336573085.db2.gz VXSHPAJRQRKYLI-GQCTYLIASA-N -1 3 322.364 3.544 20 0 DHADHM CC(C)CN(Cc1ccccc1F)C(=O)c1cccc([O-])c1 ZINC000357304737 336579908 /nfs/dbraw/zinc/57/99/08/336579908.db2.gz MGTOCTLLSUZRSZ-UHFFFAOYSA-N -1 3 301.361 3.830 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cccc([O-])c1 ZINC000357334052 336581168 /nfs/dbraw/zinc/58/11/68/336581168.db2.gz DQGWADBCYNIKNM-SFHVURJKSA-N -1 3 311.381 3.550 20 0 DHADHM Cc1csc2[nH]c(C=Cc3cc([O-])cc(F)c3)nc(=O)c12 ZINC000358246125 336619209 /nfs/dbraw/zinc/61/92/09/336619209.db2.gz HHRBPHMUGVYABO-IHWYPQMZSA-N -1 3 302.330 3.720 20 0 DHADHM COC(=O)c1coc(/C=C/c2ccc3cc(C)cc([O-])c3n2)c1 ZINC000358659509 336638527 /nfs/dbraw/zinc/63/85/27/336638527.db2.gz JPWLKJPYFQWGJZ-AATRIKPKSA-N -1 3 309.321 3.799 20 0 DHADHM CCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000360135259 336702445 /nfs/dbraw/zinc/70/24/45/336702445.db2.gz ZHSFRJVPGSHGAW-UHFFFAOYSA-N -1 3 304.268 3.514 20 0 DHADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000360316362 336708015 /nfs/dbraw/zinc/70/80/15/336708015.db2.gz LRMYFOHXCLQOEZ-UHFFFAOYSA-N -1 3 320.267 3.567 20 0 DHADHM COc1cccc(C(=O)N2CCC3(C2)CCCCCC3)c1[O-] ZINC000361375657 336754228 /nfs/dbraw/zinc/75/42/28/336754228.db2.gz DERVWKPQQDLPPW-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(OC)nc1 ZINC000362185992 336787214 /nfs/dbraw/zinc/78/72/14/336787214.db2.gz MJEZVRANBLCDCF-UHFFFAOYSA-N -1 3 306.362 3.594 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000367687004 336827985 /nfs/dbraw/zinc/82/79/85/336827985.db2.gz MSUWBAYFHXRKPT-GFCCVEGCSA-N -1 3 316.788 3.511 20 0 DHADHM Cc1ccc([C@H]2C[C@H]2C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000368024311 336835200 /nfs/dbraw/zinc/83/52/00/336835200.db2.gz YPNDMEIIIDFICG-UONOGXRCSA-N -1 3 313.422 3.845 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C3CCCC3)nc2)n1 ZINC000368068142 336837172 /nfs/dbraw/zinc/83/71/72/336837172.db2.gz FWXZTZMYWXCIHX-GFCCVEGCSA-N -1 3 312.417 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3[C@H](CC)CC[C@@H]3C)nc2)n1 ZINC000368468173 336845429 /nfs/dbraw/zinc/84/54/29/336845429.db2.gz UMVCQMOMGDATDL-SWLSCSKDSA-N -1 3 312.417 3.574 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)CSCc2cccnc2)c1[O-] ZINC000116980579 336850431 /nfs/dbraw/zinc/85/04/31/336850431.db2.gz FALGMALAUQVLPX-UHFFFAOYSA-N -1 3 322.817 3.621 20 0 DHADHM COc1ccc([O-])c(C(=O)NC(C)(C)CCc2ccccc2)c1 ZINC000391204529 336955620 /nfs/dbraw/zinc/95/56/20/336955620.db2.gz BAQILIQUPWOHJA-UHFFFAOYSA-N -1 3 313.397 3.542 20 0 DHADHM Cc1cccc([C@H]2CCCCN2C(=O)c2csc(=O)[n-]2)c1C ZINC000375077240 337002675 /nfs/dbraw/zinc/00/26/75/337002675.db2.gz RWCWBCHWZCCZRY-OAHLLOKOSA-N -1 3 316.426 3.833 20 0 DHADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000376541017 337036278 /nfs/dbraw/zinc/03/62/78/337036278.db2.gz NKBVSKAGOIQUEY-MRXNPFEDSA-N -1 3 321.380 3.663 20 0 DHADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000376541016 337036298 /nfs/dbraw/zinc/03/62/98/337036298.db2.gz NKBVSKAGOIQUEY-INIZCTEOSA-N -1 3 321.380 3.663 20 0 DHADHM CC1(C)CCc2ccccc2[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000377189944 337048320 /nfs/dbraw/zinc/04/83/20/337048320.db2.gz SDOPOLFVOCDQJM-CYBMUJFWSA-N -1 3 316.426 3.682 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000426754076 337048678 /nfs/dbraw/zinc/04/86/78/337048678.db2.gz NKFGFPPUCGMDEO-MEDUHNTESA-N -1 3 305.324 3.516 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000426754077 337048798 /nfs/dbraw/zinc/04/87/98/337048798.db2.gz NKFGFPPUCGMDEO-ZBEGNZNMSA-N -1 3 305.324 3.516 20 0 DHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1occ2c1CCOC2 ZINC000377584683 337055637 /nfs/dbraw/zinc/05/56/37/337055637.db2.gz JXPJGMKJXSCQRC-UHFFFAOYSA-N -1 3 313.687 3.536 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc([O-])c2F)o1 ZINC000378300385 337069607 /nfs/dbraw/zinc/06/96/07/337069607.db2.gz XIENMNVATPFMAT-KXNHARMFSA-N -1 3 315.344 3.990 20 0 DHADHM Cn1cc([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)c2ccccc21 ZINC000378561019 337075796 /nfs/dbraw/zinc/07/57/96/337075796.db2.gz HGJAACVASWDSLC-HNNXBMFYSA-N -1 3 320.392 3.514 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1csc2ccccc12 ZINC000193928444 337080710 /nfs/dbraw/zinc/08/07/10/337080710.db2.gz PUHZRUYIVPCOGY-UHFFFAOYSA-N -1 3 311.338 3.943 20 0 DHADHM Cc1ccc(Cl)c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000194210375 337082778 /nfs/dbraw/zinc/08/27/78/337082778.db2.gz PKXUDCKODLONSN-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1coc2ccc(NC(=O)c3n[n-]nc3-c3ccccc3)cc12 ZINC000194234307 337086873 /nfs/dbraw/zinc/08/68/73/337086873.db2.gz NIHDCDOXRAEVBO-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM CC(=O)c1csc(-c2nc(-c3ccc([O-])c(C)c3)no2)c1 ZINC000582705130 337122423 /nfs/dbraw/zinc/12/24/23/337122423.db2.gz HPYJMMAKXNESEF-UHFFFAOYSA-N -1 3 300.339 3.682 20 0 DHADHM CN(C(=O)c1c[n-]nc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000173659542 337137246 /nfs/dbraw/zinc/13/72/46/337137246.db2.gz SQMDJBKRORFIAR-UHFFFAOYSA-N -1 3 313.307 3.632 20 0 DHADHM CC[C@@H](CC(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000582769834 337143598 /nfs/dbraw/zinc/14/35/98/337143598.db2.gz NWPQLZHEMOUKCH-ZETCQYMHSA-N -1 3 322.149 3.775 20 0 DHADHM CCOc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1OCC ZINC000179551516 337170203 /nfs/dbraw/zinc/17/02/03/337170203.db2.gz IIRSBTBGTMNJCB-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM O=C(CSc1ccc2ccccc2n1)Nc1ccccc1[O-] ZINC000180669830 337177191 /nfs/dbraw/zinc/17/71/91/337177191.db2.gz JPEHKPMNBRRPCQ-UHFFFAOYSA-N -1 3 310.378 3.671 20 0 DHADHM C[C@@H](c1ccco1)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000182181407 337187098 /nfs/dbraw/zinc/18/70/98/337187098.db2.gz VIKCIFUJXALYIF-NSHDSACASA-N -1 3 319.788 3.933 20 0 DHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc([O-])c1 ZINC000182261179 337187788 /nfs/dbraw/zinc/18/77/88/337187788.db2.gz LGASQYKYWQCHKY-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1nc(C(C)(C)C)cs1 ZINC000182394458 337188160 /nfs/dbraw/zinc/18/81/60/337188160.db2.gz ACUBYKSDWZAEDA-SNVBAGLBSA-N -1 3 304.415 3.637 20 0 DHADHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cccc([O-])c1 ZINC000182488374 337188599 /nfs/dbraw/zinc/18/85/99/337188599.db2.gz KHUVABFFPCFZFW-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000182973659 337190955 /nfs/dbraw/zinc/19/09/55/337190955.db2.gz CPOGTAQCIFSAKD-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CSc1nc2ccccc2o1 ZINC000183033110 337190983 /nfs/dbraw/zinc/19/09/83/337190983.db2.gz ULYVVDAPMFYCRK-UHFFFAOYSA-N -1 3 314.366 3.573 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1coc(-c2ccccc2)n1 ZINC000321061591 337191067 /nfs/dbraw/zinc/19/10/67/337191067.db2.gz YNAAXSHQVMUIKO-MRXNPFEDSA-N -1 3 314.385 3.561 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1(c2cccc(F)c2)CCC1 ZINC000183281414 337192760 /nfs/dbraw/zinc/19/27/60/337192760.db2.gz OEBJULSVWLNTOP-UHFFFAOYSA-N -1 3 303.308 3.731 20 0 DHADHM Cc1conc1[N-]C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184241179 337197563 /nfs/dbraw/zinc/19/75/63/337197563.db2.gz SBWYBROQKJFKCU-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1ccc(Oc2ccccc2)o1 ZINC000184569463 337198703 /nfs/dbraw/zinc/19/87/03/337198703.db2.gz APMOUXBBDAZJEJ-UHFFFAOYSA-N -1 3 324.340 3.710 20 0 DHADHM CC(C)OCc1cc(NC(=O)Nc2ccccc2)ccc1[O-] ZINC000583136531 337243384 /nfs/dbraw/zinc/24/33/84/337243384.db2.gz BQQVZBPBNBMWAD-UHFFFAOYSA-N -1 3 300.358 3.961 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c2cccnc12 ZINC000397063805 337245792 /nfs/dbraw/zinc/24/57/92/337245792.db2.gz ZPHXTLZIBFJSDJ-YPMHNXCESA-N -1 3 318.804 3.573 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)c2c([O-])cccc21 ZINC000186262289 337255399 /nfs/dbraw/zinc/25/53/99/337255399.db2.gz BNTHFUFXYFPGAY-BFUOFWGJSA-N -1 3 323.392 3.546 20 0 DHADHM Cc1ccc(SC[C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000186694259 337258537 /nfs/dbraw/zinc/25/85/37/337258537.db2.gz UUJBKFKDBKYTRG-CYBMUJFWSA-N -1 3 301.411 3.611 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000189695104 337281687 /nfs/dbraw/zinc/28/16/87/337281687.db2.gz UVYSKYZKGKOFSX-GUYCJALGSA-N -1 3 310.397 3.573 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([O-])cc1F ZINC000191002620 337293060 /nfs/dbraw/zinc/29/30/60/337293060.db2.gz IEOVPIBLGXJGLZ-UHFFFAOYSA-N -1 3 306.362 3.501 20 0 DHADHM CCO[N-]C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000191703942 337300754 /nfs/dbraw/zinc/30/07/54/337300754.db2.gz XPIAAYDHOPJQLT-UHFFFAOYSA-N -1 3 322.796 3.722 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccsc3)CC2)cc1F ZINC000583884064 337380808 /nfs/dbraw/zinc/38/08/08/337380808.db2.gz USZGDDLHVWENGV-UHFFFAOYSA-N -1 3 319.401 3.965 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc([O-])c1F ZINC000190916384 337397276 /nfs/dbraw/zinc/39/72/76/337397276.db2.gz OUJACKLRLNFLSL-UHFFFAOYSA-N -1 3 306.362 3.501 20 0 DHADHM CCCCCCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000127321178 337420246 /nfs/dbraw/zinc/42/02/46/337420246.db2.gz VLTAADVGKPUICB-UHFFFAOYSA-N -1 3 313.401 3.654 20 0 DHADHM O=C([N-][C@H](c1cccs1)c1ccc(Cl)cc1)C(F)F ZINC000194280400 337462106 /nfs/dbraw/zinc/46/21/06/337462106.db2.gz ZLAVPVKEDGBOFN-NSHDSACASA-N -1 3 301.745 3.872 20 0 DHADHM COCC[C@@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419425654 337484060 /nfs/dbraw/zinc/48/40/60/337484060.db2.gz MBRAIELXUOPZBB-GFCCVEGCSA-N -1 3 304.415 3.507 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 ZINC000321388046 337618910 /nfs/dbraw/zinc/61/89/10/337618910.db2.gz JEAKYTHWKXFSLF-AWEZNQCLSA-N -1 3 313.397 3.994 20 0 DHADHM O=C([O-])c1cccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000263439207 337629100 /nfs/dbraw/zinc/62/91/00/337629100.db2.gz VSSDLLZBCFEBTP-QGZVFWFLSA-N -1 3 317.335 3.830 20 0 DHADHM O=C(N[C@H](CC1CCCC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000527167350 337735282 /nfs/dbraw/zinc/73/52/82/337735282.db2.gz GQYYJNIPIXVFDJ-CQSZACIVSA-N -1 3 316.426 3.900 20 0 DHADHM CC(C)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000527253987 337740754 /nfs/dbraw/zinc/74/07/54/337740754.db2.gz QMLCYWDDAGWWHF-LLVKDONJSA-N -1 3 315.335 3.919 20 0 DHADHM C[C@H](C1CC1)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000527907670 337770322 /nfs/dbraw/zinc/77/03/22/337770322.db2.gz BTJBTYVUMNXEPZ-SECBINFHSA-N -1 3 324.218 3.558 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000533159822 337832179 /nfs/dbraw/zinc/83/21/79/337832179.db2.gz YZXJXCVIMASMCB-RDTXWAMCSA-N -1 3 313.784 3.888 20 0 DHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1[O-] ZINC000046713645 337838394 /nfs/dbraw/zinc/83/83/94/337838394.db2.gz XYNHJDKPVMZQAE-UHFFFAOYSA-N -1 3 309.287 3.683 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2cccs2)n1 ZINC000424616131 337920230 /nfs/dbraw/zinc/92/02/30/337920230.db2.gz FTZKBYPOLWYBRH-ZWNOBZJWSA-N -1 3 324.471 3.707 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000537565623 337943844 /nfs/dbraw/zinc/94/38/44/337943844.db2.gz VLIXEEAFFJRMSX-LBPRGKRZSA-N -1 3 323.380 3.640 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000537638337 337954557 /nfs/dbraw/zinc/95/45/57/337954557.db2.gz PISLOFBQYCWRKC-KRWDZBQOSA-N -1 3 309.409 3.938 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000537642581 337954880 /nfs/dbraw/zinc/95/48/80/337954880.db2.gz JIEHQUAEMANSKL-HNNXBMFYSA-N -1 3 322.408 3.584 20 0 DHADHM COc1ccc(C2(C(=O)Nc3ccccc3[O-])CCCC2)cc1 ZINC000514944390 337974733 /nfs/dbraw/zinc/97/47/33/337974733.db2.gz BRJKOYNXHKQAPC-UHFFFAOYSA-N -1 3 311.381 3.851 20 0 DHADHM O=C(Cc1ccccc1OC1CCCC1)Nc1ccccc1[O-] ZINC000516407408 338012538 /nfs/dbraw/zinc/01/25/38/338012538.db2.gz PDRCIABOSYAAJU-UHFFFAOYSA-N -1 3 311.381 3.895 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CNCC[C@H](C)CC(=O)[O-])o1 ZINC000426651822 338037144 /nfs/dbraw/zinc/03/71/44/338037144.db2.gz PGCZXSMJVLJZCA-LBPRGKRZSA-N -1 3 319.376 3.985 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccsc1 ZINC000426678696 338038006 /nfs/dbraw/zinc/03/80/06/338038006.db2.gz RDPUCTQYNXYXJU-CQSZACIVSA-N -1 3 318.373 3.674 20 0 DHADHM Cc1cc2cc(CNCc3ccccc3CC(=O)[O-])oc2cc1C ZINC000426681715 338038027 /nfs/dbraw/zinc/03/80/27/338038027.db2.gz YUWKUTFDOYYQBY-UHFFFAOYSA-N -1 3 323.392 3.967 20 0 DHADHM O=C([O-])CCCCCNCc1csc(-c2ccsc2)n1 ZINC000426685627 338038162 /nfs/dbraw/zinc/03/81/62/338038162.db2.gz JEJLIIKOHSUFFK-UHFFFAOYSA-N -1 3 310.444 3.606 20 0 DHADHM O=C([O-])C[C@@H](NC/C=C/c1ccc(F)cc1)c1ccsc1 ZINC000426684057 338038164 /nfs/dbraw/zinc/03/81/64/338038164.db2.gz WXOFPBNUPNZBHU-BGTMTDRBSA-N -1 3 305.374 3.706 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000426698205 338038389 /nfs/dbraw/zinc/03/83/89/338038389.db2.gz YZMCQGWXOWEBNV-CYBMUJFWSA-N -1 3 313.781 3.846 20 0 DHADHM O=C([O-])CCCCCNCc1csc(-c2cccs2)n1 ZINC000426697983 338038406 /nfs/dbraw/zinc/03/84/06/338038406.db2.gz YNNDXFWESWILBT-UHFFFAOYSA-N -1 3 310.444 3.606 20 0 DHADHM COc1ccc2cc(CNCc3cccc(C(=O)[O-])c3)ccc2c1 ZINC000426700212 338038441 /nfs/dbraw/zinc/03/84/41/338038441.db2.gz OWSNNDQFDUJOQM-UHFFFAOYSA-N -1 3 321.376 3.836 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000426715092 338038975 /nfs/dbraw/zinc/03/89/75/338038975.db2.gz GMVSNYUCBCNQEK-DYVFJYSZSA-N -1 3 308.381 3.720 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(F)c(C)c2)C(=O)[O-])c1C ZINC000426731376 338039654 /nfs/dbraw/zinc/03/96/54/338039654.db2.gz OUQYGFHUVQGXEE-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM CSc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426733557 338039871 /nfs/dbraw/zinc/03/98/71/338039871.db2.gz YOLMWAPTUSKQRW-HNNXBMFYSA-N -1 3 321.829 3.977 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000426749565 338040704 /nfs/dbraw/zinc/04/07/04/338040704.db2.gz GUUQSGPLBSAGLQ-MAUKXSAKSA-N -1 3 315.369 3.805 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000426754075 338040768 /nfs/dbraw/zinc/04/07/68/338040768.db2.gz NKFGFPPUCGMDEO-BZNIZROVSA-N -1 3 305.324 3.516 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cs1 ZINC000426758670 338041012 /nfs/dbraw/zinc/04/10/12/338041012.db2.gz JAKBPZDHWLXLKB-UONOGXRCSA-N -1 3 324.490 3.954 20 0 DHADHM Cc1cc2c([n-]c([C@H]3CSc4ccccc4O3)nc2=O)s1 ZINC000429569257 338084455 /nfs/dbraw/zinc/08/44/55/338084455.db2.gz RZSDXEYBQQKBRM-LLVKDONJSA-N -1 3 316.407 3.931 20 0 DHADHM O=S(=O)(Cc1ccccc1)[N-]c1cnccc1-c1ccccc1 ZINC000432349760 338153782 /nfs/dbraw/zinc/15/37/82/338153782.db2.gz BAZQRQAXDQTQAK-UHFFFAOYSA-N -1 3 324.405 3.691 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(F)ccc1Cl ZINC000432408544 338155182 /nfs/dbraw/zinc/15/51/82/338155182.db2.gz BXXPZMPPQMYEJW-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ncccc1Cl ZINC000432416854 338155641 /nfs/dbraw/zinc/15/56/41/338155641.db2.gz JAOZQMRFPUSJON-UHFFFAOYSA-N -1 3 316.773 3.506 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CC4(CCC4)C[C@H]3C)c(=O)c2c1 ZINC000432668647 338162084 /nfs/dbraw/zinc/16/20/84/338162084.db2.gz JKMQYXWGSLLTDG-CQSZACIVSA-N -1 3 324.424 3.550 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C)c2)CC)n1 ZINC000435341373 338237550 /nfs/dbraw/zinc/23/75/50/338237550.db2.gz WRIBYEWOHIAOAN-PTNGSMBKSA-N -1 3 312.413 3.990 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(F)c2ccccc12 ZINC000435676506 338244888 /nfs/dbraw/zinc/24/48/88/338244888.db2.gz URPXRFKEQIOESQ-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(F)c2ccccc12 ZINC000435676506 338244889 /nfs/dbraw/zinc/24/48/89/338244889.db2.gz URPXRFKEQIOESQ-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(F)c2ccccc12 ZINC000435676506 338244890 /nfs/dbraw/zinc/24/48/90/338244890.db2.gz URPXRFKEQIOESQ-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1C ZINC000435717770 338246155 /nfs/dbraw/zinc/24/61/55/338246155.db2.gz RFFANYCXTQDCED-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM COc1ccc(OCc2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435955229 338254102 /nfs/dbraw/zinc/25/41/02/338254102.db2.gz SGFOVCDJIVKLEY-BJMVGYQFSA-N -1 3 324.336 3.533 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(-c3cc(F)cc(F)c3)no2)c1 ZINC000435957419 338254294 /nfs/dbraw/zinc/25/42/94/338254294.db2.gz YENABYJSKMGRTH-SNAWJCMRSA-N -1 3 300.264 3.891 20 0 DHADHM O=c1[n-]c(=O)n(CC2CCC(c3ccccc3)CC2)cc1Cl ZINC000436047102 338256712 /nfs/dbraw/zinc/25/67/12/338256712.db2.gz CVXKLZHQPXNTEO-UHFFFAOYSA-N -1 3 318.804 3.576 20 0 DHADHM COc1cc(Cl)cc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436516047 338274839 /nfs/dbraw/zinc/27/48/39/338274839.db2.gz UECYIVCMTMBPOO-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436531250 338275491 /nfs/dbraw/zinc/27/54/91/338275491.db2.gz PAZMPQOKRGIUFB-GFCCVEGCSA-N -1 3 308.337 3.538 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(C)cc3F)no2)c1[O-] ZINC000436531387 338275507 /nfs/dbraw/zinc/27/55/07/338275507.db2.gz HSUQZYTVEGLNPA-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ncc(-c2ccccc2)o1 ZINC000436531251 338275574 /nfs/dbraw/zinc/27/55/74/338275574.db2.gz PAZMPQOKRGIUFB-LBPRGKRZSA-N -1 3 308.337 3.538 20 0 DHADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1[O-] ZINC000436534862 338275719 /nfs/dbraw/zinc/27/57/19/338275719.db2.gz YLWIEPHITLVQGK-HNNXBMFYSA-N -1 3 313.397 3.542 20 0 DHADHM Cc1ccsc1CCCc1nc(-c2ccc([O-])cc2)no1 ZINC000436536489 338275945 /nfs/dbraw/zinc/27/59/45/338275945.db2.gz VTRHHKOVYQVYND-UHFFFAOYSA-N -1 3 300.383 3.987 20 0 DHADHM Cc1cccc(C(=O)N(Cc2cccc(F)c2)C(C)C)c1[O-] ZINC000436545328 338276261 /nfs/dbraw/zinc/27/62/61/338276261.db2.gz LZGZQZYUZGFOOL-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[O-] ZINC000436545195 338276318 /nfs/dbraw/zinc/27/63/18/338276318.db2.gz RJCUJPYSBWGQGB-CMPLNLGQSA-N -1 3 301.308 3.504 20 0 DHADHM CCN(C(=O)c1cc(C)cc(OC)c1[O-])c1cccc(C)c1C ZINC000436550268 338276620 /nfs/dbraw/zinc/27/66/20/338276620.db2.gz SCHRBDBGPADMHX-UHFFFAOYSA-N -1 3 313.397 3.993 20 0 DHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000436550485 338276632 /nfs/dbraw/zinc/27/66/32/338276632.db2.gz IRUAKBYYEZXVJK-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436565367 338277200 /nfs/dbraw/zinc/27/72/00/338277200.db2.gz QTTGISDTJGRPQH-PWSUYJOCSA-N -1 3 301.308 3.504 20 0 DHADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436570922 338277636 /nfs/dbraw/zinc/27/76/36/338277636.db2.gz SUSSCKGUCFLVKY-LSDHHAIUSA-N -1 3 309.409 3.854 20 0 DHADHM CN(Cc1ccc[nH]1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436579269 338278134 /nfs/dbraw/zinc/27/81/34/338278134.db2.gz UFEINWHXYUBMNJ-UHFFFAOYSA-N -1 3 322.364 3.785 20 0 DHADHM COC1(c2noc(-c3ccc(C(C)C)cc3[O-])n2)CCCC1 ZINC000436579004 338278142 /nfs/dbraw/zinc/27/81/42/338278142.db2.gz YLUVWDSLTOTXLO-UHFFFAOYSA-N -1 3 302.374 3.981 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c([O-])c1 ZINC000436581488 338278293 /nfs/dbraw/zinc/27/82/93/338278293.db2.gz FRRQSYNJLRRZHZ-NSHDSACASA-N -1 3 317.335 3.738 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2nc3ccccc3o2)c([O-])c1 ZINC000436586827 338278603 /nfs/dbraw/zinc/27/86/03/338278603.db2.gz WKZMWWTZOMOXDN-UHFFFAOYSA-N -1 3 310.353 3.587 20 0 DHADHM Cc1ccc2c(c1)CN(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)C2 ZINC000436603922 338279437 /nfs/dbraw/zinc/27/94/37/338279437.db2.gz NEXNYWYTJHEGET-UHFFFAOYSA-N -1 3 323.392 3.570 20 0 DHADHM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(O)cc1[O-] ZINC000436615118 338280158 /nfs/dbraw/zinc/28/01/58/338280158.db2.gz DEUMKXMEPVZJBJ-UHFFFAOYSA-N -1 3 307.349 3.523 20 0 DHADHM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(O)cc1[O-] ZINC000436663273 338281971 /nfs/dbraw/zinc/28/19/71/338281971.db2.gz GKRKGZZYPPXVQH-KRWDZBQOSA-N -1 3 315.344 3.508 20 0 DHADHM CSc1ccc(NC(=O)c2c([O-])cccc2O)cc1Cl ZINC000436668172 338282225 /nfs/dbraw/zinc/28/22/25/338282225.db2.gz AGDXNAOKGJBSCB-UHFFFAOYSA-N -1 3 309.774 3.725 20 0 DHADHM CCc1cc(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)ccc1[O-] ZINC000436674650 338282338 /nfs/dbraw/zinc/28/23/38/338282338.db2.gz WCNGCNQUKLXRPR-FUHWJXTLSA-N -1 3 319.445 3.668 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436694554 338283102 /nfs/dbraw/zinc/28/31/02/338283102.db2.gz AQYDPWDYNVUUKQ-CABCVRRESA-N -1 3 307.459 3.701 20 0 DHADHM CN(Cc1ccccc1F)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436714041 338283764 /nfs/dbraw/zinc/28/37/64/338283764.db2.gz KTIJPDGKJABXFG-UHFFFAOYSA-N -1 3 313.372 3.682 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c([O-])c1 ZINC000436732233 338284699 /nfs/dbraw/zinc/28/46/99/338284699.db2.gz POTOQJYDYHJNSW-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cccc(C(=O)N2CCCn3c(cc4ccccc43)C2)c1[O-] ZINC000436737075 338284811 /nfs/dbraw/zinc/28/48/11/338284811.db2.gz IBXOFXDKZVRNDD-UHFFFAOYSA-N -1 3 320.392 3.701 20 0 DHADHM Cc1ccc(C(=O)NCC2(Sc3ccccc3)CC2)c([O-])c1 ZINC000436736649 338284873 /nfs/dbraw/zinc/28/48/73/338284873.db2.gz JNUVCEJZJHJUSL-UHFFFAOYSA-N -1 3 313.422 3.755 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436753267 338285529 /nfs/dbraw/zinc/28/55/29/338285529.db2.gz DFXDZZCAWVJDGJ-UHFFFAOYSA-N -1 3 317.360 3.592 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)c([O-])c1 ZINC000436756189 338285692 /nfs/dbraw/zinc/28/56/92/338285692.db2.gz OJSRDWGUZYQEQR-CQSZACIVSA-N -1 3 313.397 3.851 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c([O-])c1 ZINC000436755774 338285770 /nfs/dbraw/zinc/28/57/70/338285770.db2.gz NNZLQUYHQXJTKI-CQSZACIVSA-N -1 3 313.397 3.851 20 0 DHADHM Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)c([O-])c1C ZINC000436757010 338285878 /nfs/dbraw/zinc/28/58/78/338285878.db2.gz SJYSELIRCLJISX-GFCCVEGCSA-N -1 3 301.411 3.830 20 0 DHADHM C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436757856 338285978 /nfs/dbraw/zinc/28/59/78/338285978.db2.gz VJQRZEXPHLLHTO-LBPRGKRZSA-N -1 3 323.392 3.697 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)c([O-])c1 ZINC000436758698 338286069 /nfs/dbraw/zinc/28/60/69/338286069.db2.gz NJRTVXNFXWCZHK-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM CCOc1ccc(CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436765266 338286368 /nfs/dbraw/zinc/28/63/68/338286368.db2.gz ALZFHBMTKQURHQ-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM CCCc1nc(C)c(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436767723 338286481 /nfs/dbraw/zinc/28/64/81/338286481.db2.gz HJGCGJDVLTWMPV-UHFFFAOYSA-N -1 3 301.371 3.827 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccc(OC(F)F)cc3)n2)cc1 ZINC000436771112 338286687 /nfs/dbraw/zinc/28/66/87/338286687.db2.gz XPBBLASFKMNMGR-UHFFFAOYSA-N -1 3 318.279 3.634 20 0 DHADHM [O-]c1ccc(-c2noc(CCSc3ccccc3F)n2)cc1 ZINC000436770438 338286845 /nfs/dbraw/zinc/28/68/45/338286845.db2.gz RGRBDJDPQBGZKD-UHFFFAOYSA-N -1 3 316.357 3.916 20 0 DHADHM COc1cc(-c2noc(C(F)(F)c3ccccc3)n2)ccc1[O-] ZINC000436787063 338287366 /nfs/dbraw/zinc/28/73/66/338287366.db2.gz GRVZJGVYRXZRBP-UHFFFAOYSA-N -1 3 318.279 3.591 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c([O-])c1 ZINC000436823062 338288562 /nfs/dbraw/zinc/28/85/62/338288562.db2.gz SKYSSJVTOZXTAK-UHFFFAOYSA-N -1 3 308.381 3.708 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000436822844 338288683 /nfs/dbraw/zinc/28/86/83/338288683.db2.gz RDADLKVEJPDJRW-AWEZNQCLSA-N -1 3 307.459 3.702 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000436827771 338288719 /nfs/dbraw/zinc/28/87/19/338288719.db2.gz OMVIYNAYFFJUMR-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c([O-])c1C ZINC000436824181 338288812 /nfs/dbraw/zinc/28/88/12/338288812.db2.gz ZGCBABZXJWPQGH-UHFFFAOYSA-N -1 3 308.381 3.763 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)c([O-])c1 ZINC000436825509 338288837 /nfs/dbraw/zinc/28/88/37/338288837.db2.gz LJWVQPLEMCKGPC-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000436832531 338288981 /nfs/dbraw/zinc/28/89/81/338288981.db2.gz SADNMDAPJFMADJ-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM CCc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000436831404 338289073 /nfs/dbraw/zinc/28/90/73/338289073.db2.gz FZURWBTVNZZONL-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436834791 338289262 /nfs/dbraw/zinc/28/92/62/338289262.db2.gz AUCWMJXEJYJIMP-GWCFXTLKSA-N -1 3 315.335 3.758 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC000436834087 338289268 /nfs/dbraw/zinc/28/92/68/338289268.db2.gz YBDRSPGGXVOAEZ-FQEVSTJZSA-N -1 3 309.409 3.758 20 0 DHADHM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436837911 338289278 /nfs/dbraw/zinc/28/92/78/338289278.db2.gz ITEGFBRYHTWADL-UONOGXRCSA-N -1 3 307.459 3.920 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436844786 338289619 /nfs/dbraw/zinc/28/96/19/338289619.db2.gz AVEOCPPOVJZFRB-INIZCTEOSA-N -1 3 313.397 3.933 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436845320 338289735 /nfs/dbraw/zinc/28/97/35/338289735.db2.gz CJONISXRVLINKM-INIZCTEOSA-N -1 3 313.397 3.933 20 0 DHADHM Cc1sc(CNC(=O)c2ccc(C)c(C)c2[O-])nc1C(C)C ZINC000436863221 338290290 /nfs/dbraw/zinc/29/02/90/338290290.db2.gz JOWCMYYJIPVORM-UHFFFAOYSA-N -1 3 318.442 3.827 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[O-] ZINC000436861782 338290410 /nfs/dbraw/zinc/29/04/10/338290410.db2.gz VLTTZWRZPFCVIM-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM CCc1cc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)ccc1[O-] ZINC000436865871 338290518 /nfs/dbraw/zinc/29/05/18/338290518.db2.gz WDBHVSDZPSOTTQ-KRWDZBQOSA-N -1 3 313.397 3.844 20 0 DHADHM COc1cc(OC2CC2)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436867212 338290548 /nfs/dbraw/zinc/29/05/48/338290548.db2.gz AYKPPWMHMDGPBQ-UHFFFAOYSA-N -1 3 324.336 3.659 20 0 DHADHM CCOc1cc(-c2noc(C3(SC)CCC3)n2)ccc1[O-] ZINC000436875812 338291150 /nfs/dbraw/zinc/29/11/50/338291150.db2.gz FIDJGQQZNPLMND-UHFFFAOYSA-N -1 3 306.387 3.583 20 0 DHADHM COc1cc(-c2noc([C@H](F)c3ccccc3)n2)ccc1[O-] ZINC000436878525 338291313 /nfs/dbraw/zinc/29/13/13/338291313.db2.gz UEJXBINIFGWOFM-CQSZACIVSA-N -1 3 300.289 3.510 20 0 DHADHM COc1cccc(C2(c3noc(-c4ccccc4[O-])n3)CC2)c1 ZINC000436885142 338291706 /nfs/dbraw/zinc/29/17/06/338291706.db2.gz ILUQHVDUHOYUDX-UHFFFAOYSA-N -1 3 308.337 3.531 20 0 DHADHM Cc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1[O-] ZINC000436891523 338292109 /nfs/dbraw/zinc/29/21/09/338292109.db2.gz JBCMKTJGVJDJCG-UHFFFAOYSA-N -1 3 301.773 3.773 20 0 DHADHM COc1cc(-c2noc(-c3ccc(SC)cc3)n2)ccc1[O-] ZINC000436895312 338292268 /nfs/dbraw/zinc/29/22/68/338292268.db2.gz IEWMJYDCBSOGCN-UHFFFAOYSA-N -1 3 314.366 3.840 20 0 DHADHM COc1cc(Cc2noc(-c3cccc(C)c3[O-])n2)ccc1C ZINC000436893785 338292432 /nfs/dbraw/zinc/29/24/32/338292432.db2.gz BLVYMPBXDKOSRR-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436897736 338292547 /nfs/dbraw/zinc/29/25/47/338292547.db2.gz TYTOWKSKTQTRRQ-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1cccc(-c2nc(-c3ccccc3-n3cccn3)no2)c1[O-] ZINC000436914691 338293220 /nfs/dbraw/zinc/29/32/20/338293220.db2.gz MJSIPGOXVYTLRA-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)ccc1[O-] ZINC000436925107 338293608 /nfs/dbraw/zinc/29/36/08/338293608.db2.gz FRDCAXWNKMBSSW-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436924968 338293690 /nfs/dbraw/zinc/29/36/90/338293690.db2.gz YKASOBKMDFVQFL-UHFFFAOYSA-N -1 3 301.361 3.892 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)ccc1[O-] ZINC000436933050 338294181 /nfs/dbraw/zinc/29/41/81/338294181.db2.gz AVCYSXIWJFXNIP-CYBMUJFWSA-N -1 3 322.364 3.847 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N(CC3CC3)C3CCC3)c([O-])c2O1 ZINC000436933851 338294258 /nfs/dbraw/zinc/29/42/58/338294258.db2.gz VEBCRYOSSSIIGF-UHFFFAOYSA-N -1 3 315.413 3.510 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C1CC1 ZINC000436936544 338294348 /nfs/dbraw/zinc/29/43/48/338294348.db2.gz UGWFHAZHQATVQH-GFCCVEGCSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000436938103 338294668 /nfs/dbraw/zinc/29/46/68/338294668.db2.gz KCRTXIUVNTUELW-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)ccc1[O-] ZINC000436941028 338294837 /nfs/dbraw/zinc/29/48/37/338294837.db2.gz ZKSPGDRUSKBZIU-RDJZCZTQSA-N -1 3 309.409 3.794 20 0 DHADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000448583130 338294892 /nfs/dbraw/zinc/29/48/92/338294892.db2.gz QXTFJSPFYGWBIR-INIZCTEOSA-N -1 3 301.361 3.650 20 0 DHADHM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(O)cc1[O-] ZINC000436943058 338295009 /nfs/dbraw/zinc/29/50/09/338295009.db2.gz XTRNUNASQQUZPI-UHFFFAOYSA-N -1 3 317.360 3.535 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3F)n2)cc1 ZINC000436946422 338295101 /nfs/dbraw/zinc/29/51/01/338295101.db2.gz IWDAEGPFHVDASQ-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM COc1cccc(-c2nc(C[C@H](C)c3ccccc3)no2)c1[O-] ZINC000436943739 338295245 /nfs/dbraw/zinc/29/52/45/338295245.db2.gz GRAGBUPDYDEPKA-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM COc1ccc([O-])c(-c2nc(C[C@H](C)c3ccccc3)no2)c1 ZINC000436947133 338295325 /nfs/dbraw/zinc/29/53/25/338295325.db2.gz QZSNGTSWTBZIGA-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM COc1cc(-c2noc(-c3ccccc3[O-])n2)c2ccccc2n1 ZINC000436946996 338295381 /nfs/dbraw/zinc/29/53/81/338295381.db2.gz YMTSCAPJAXCDJK-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CO[C@@H](c1noc(-c2cccc(C)c2[O-])n1)c1ccc(F)cc1 ZINC000436947646 338295442 /nfs/dbraw/zinc/29/54/42/338295442.db2.gz GWQHGFYRRKRQHX-OAHLLOKOSA-N -1 3 314.316 3.626 20 0 DHADHM CC(C)c1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c([O-])c1 ZINC000436950828 338295623 /nfs/dbraw/zinc/29/56/23/338295623.db2.gz WEHAWHIXEWTEHJ-DGCLKSJQSA-N -1 3 302.374 3.848 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC(C)C)c1 ZINC000436963885 338296107 /nfs/dbraw/zinc/29/61/07/338296107.db2.gz DVZQUCJZRGWAAM-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C)CC2)c([O-])c1 ZINC000436971208 338296232 /nfs/dbraw/zinc/29/62/32/338296232.db2.gz ITUHBXGKGJHCOH-AWEZNQCLSA-N -1 3 305.418 3.833 20 0 DHADHM CC(C)c1ccc(C(=O)NCCC[C@@H]2CCCCO2)c([O-])c1 ZINC000436977312 338296416 /nfs/dbraw/zinc/29/64/16/338296416.db2.gz DNASOTRWDUDSLZ-HNNXBMFYSA-N -1 3 305.418 3.595 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c([O-])c1 ZINC000436991632 338296975 /nfs/dbraw/zinc/29/69/75/338296975.db2.gz RTUOZBVIRCPMGD-AWEZNQCLSA-N -1 3 317.429 3.547 20 0 DHADHM COc1cc(-c2noc(-c3ccc(F)cc3C)n2)ccc1[O-] ZINC000436996767 338297115 /nfs/dbraw/zinc/29/71/15/338297115.db2.gz GZAHCYCAUPELEV-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM [O-]c1ccccc1-c1nc(Cc2ccc(OC(F)F)cc2)no1 ZINC000437000169 338297260 /nfs/dbraw/zinc/29/72/60/338297260.db2.gz NXXKYNYDGDKYSB-UHFFFAOYSA-N -1 3 318.279 3.634 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1(C)C ZINC000437006699 338297489 /nfs/dbraw/zinc/29/74/89/338297489.db2.gz RPAZPEYNMQZMDX-MRXNPFEDSA-N -1 3 317.429 3.612 20 0 DHADHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C ZINC000437007113 338297528 /nfs/dbraw/zinc/29/75/28/338297528.db2.gz ZWFBOQNBDKTCKZ-ZDUSSCGKSA-N -1 3 310.353 3.851 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([O-])c1 ZINC000437283796 338306055 /nfs/dbraw/zinc/30/60/55/338306055.db2.gz IVDYJQGVEXFHRH-SWLSCSKDSA-N -1 3 322.191 3.985 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)sc1C ZINC000437674021 338317980 /nfs/dbraw/zinc/31/79/80/338317980.db2.gz KZPMAUITRDDUNP-UHFFFAOYSA-N -1 3 307.849 3.881 20 0 DHADHM CC1=CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000437991150 338327736 /nfs/dbraw/zinc/32/77/36/338327736.db2.gz XGHMEXCIAYMYGJ-UHFFFAOYSA-N -1 3 307.393 3.775 20 0 DHADHM CCn1ncc2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc21 ZINC000439118343 338361554 /nfs/dbraw/zinc/36/15/54/338361554.db2.gz KRMDTIDSLTYYFA-UHFFFAOYSA-N -1 3 309.369 3.631 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000439754747 338377154 /nfs/dbraw/zinc/37/71/54/338377154.db2.gz INMCXYLRJYTWBK-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM Cc1cccc(C(=O)NC[C@H](C)Sc2ccccc2)c1[O-] ZINC000440318808 338385444 /nfs/dbraw/zinc/38/54/44/338385444.db2.gz SZAGMRFBTRTUMO-ZDUSSCGKSA-N -1 3 301.411 3.611 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H](C)Sc2ccccc2)c1[O-] ZINC000440318807 338385468 /nfs/dbraw/zinc/38/54/68/338385468.db2.gz SZAGMRFBTRTUMO-CYBMUJFWSA-N -1 3 301.411 3.611 20 0 DHADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc(F)ccc2F)s1 ZINC000440764962 338396739 /nfs/dbraw/zinc/39/67/39/338396739.db2.gz VZQAOEUSRFZUJO-MRVPVSSYSA-N -1 3 312.341 3.771 20 0 DHADHM CCCC[C@@H](CCC)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000440827683 338398408 /nfs/dbraw/zinc/39/84/08/338398408.db2.gz ZKNJCEWJHYERER-CQSZACIVSA-N -1 3 314.429 3.864 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1ccncc1Oc1ccccc1 ZINC000441065227 338401690 /nfs/dbraw/zinc/40/16/90/338401690.db2.gz QORKHWXVVZKGPN-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM Cc1cc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)no1 ZINC000171056491 338532558 /nfs/dbraw/zinc/53/25/58/338532558.db2.gz DEIONQGRSOLJIL-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000447263693 338547925 /nfs/dbraw/zinc/54/79/25/338547925.db2.gz JMHALDYYQHQZGE-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM O=C(NC1CCC(c2ccccc2)CC1)c1c([O-])cccc1O ZINC000447563740 338557111 /nfs/dbraw/zinc/55/71/11/338557111.db2.gz SBMXKOBNPJZBBW-UHFFFAOYSA-N -1 3 311.381 3.554 20 0 DHADHM CO[C@](C)(CNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000449482179 338629371 /nfs/dbraw/zinc/62/93/71/338629371.db2.gz AVRKWZPXJRYFJI-QGZVFWFLSA-N -1 3 305.805 3.697 20 0 DHADHM CCc1noc(C)c1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450233761 338672472 /nfs/dbraw/zinc/67/24/72/338672472.db2.gz OSQNYLFJRQROPH-UHFFFAOYSA-N -1 3 324.380 3.976 20 0 DHADHM C[C@H]1CCN(C(=O)[C@H]2CC23CCSCC3)c2c([O-])cccc21 ZINC000450935447 338713273 /nfs/dbraw/zinc/71/32/73/338713273.db2.gz LPWWBZSFTLTQNI-GXTWGEPZSA-N -1 3 317.454 3.766 20 0 DHADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000452782039 338779243 /nfs/dbraw/zinc/77/92/43/338779243.db2.gz DGLALXVSEQMILL-UHFFFAOYSA-N -1 3 307.409 3.797 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459288705 339019434 /nfs/dbraw/zinc/01/94/34/339019434.db2.gz JMHASTDBBKPQLZ-LLVKDONJSA-N -1 3 317.820 3.906 20 0 DHADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459309798 339020839 /nfs/dbraw/zinc/02/08/39/339020839.db2.gz VXTSBUTVBZBNFW-JTQLQIEISA-N -1 3 319.355 3.531 20 0 DHADHM Cc1ccccc1[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000459390063 339026538 /nfs/dbraw/zinc/02/65/38/339026538.db2.gz IECTYTVLVSACOW-GOSISDBHSA-N -1 3 311.429 3.855 20 0 DHADHM CSc1ccccc1[C@@H](C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459437567 339029088 /nfs/dbraw/zinc/02/90/88/339029088.db2.gz SEFKMDHQSYNXBG-LLVKDONJSA-N -1 3 315.442 3.632 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCn3c(cc4ccccc43)C2)c1 ZINC000462846455 339094079 /nfs/dbraw/zinc/09/40/79/339094079.db2.gz VDAOAVLUJOCSDG-UHFFFAOYSA-N -1 3 320.392 3.565 20 0 DHADHM O=C(c1c[n-]nc1-c1ccccc1)N1CCc2c1cccc2Cl ZINC000465270249 339172817 /nfs/dbraw/zinc/17/28/17/339172817.db2.gz PEAOTXGXNCOVDT-UHFFFAOYSA-N -1 3 323.783 3.933 20 0 DHADHM CN(C)c1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468321830 339259759 /nfs/dbraw/zinc/25/97/59/339259759.db2.gz VEFFPGGPTXRKRB-UHFFFAOYSA-N -1 3 316.376 3.559 20 0 DHADHM CC[C@H]1CCCC[C@H]1OCC(=O)N1CCCc2cccc([O-])c21 ZINC000468327437 339259818 /nfs/dbraw/zinc/25/98/18/339259818.db2.gz QRKUHGMJFAWWFA-WMLDXEAASA-N -1 3 317.429 3.657 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCC1CCCC1 ZINC000468406832 339262165 /nfs/dbraw/zinc/26/21/65/339262165.db2.gz YRNFCPGHWQUTSC-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM O=C(Cc1ccc(Cl)c(F)c1)N1CCCc2cccc([O-])c21 ZINC000468421840 339262587 /nfs/dbraw/zinc/26/25/87/339262587.db2.gz VUNYKNDBSODROX-UHFFFAOYSA-N -1 3 319.763 3.707 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000468605450 339267084 /nfs/dbraw/zinc/26/70/84/339267084.db2.gz ACEHSABTZIPNLO-WBVHZDCISA-N -1 3 313.372 3.526 20 0 DHADHM CC1CCC(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468616526 339267145 /nfs/dbraw/zinc/26/71/45/339267145.db2.gz BZEFHJUIMDRVJS-UHFFFAOYSA-N -1 3 307.409 3.797 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000469026567 339278062 /nfs/dbraw/zinc/27/80/62/339278062.db2.gz QWUXEPBZMCHPOY-UHFFFAOYSA-N -1 3 321.364 3.573 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000469093577 339279982 /nfs/dbraw/zinc/27/99/82/339279982.db2.gz VNOCXXVOPFVZPS-IOASZLSFSA-N -1 3 307.409 3.795 20 0 DHADHM Cc1sccc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000469255620 339284430 /nfs/dbraw/zinc/28/44/30/339284430.db2.gz JJZQOCYGRBCRKI-UHFFFAOYSA-N -1 3 315.316 3.962 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CC1CC1)CC1CC1 ZINC000469384178 339287537 /nfs/dbraw/zinc/28/75/37/339287537.db2.gz QJGWQKMWHLJFPF-UHFFFAOYSA-N -1 3 305.393 3.503 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000469421146 339288498 /nfs/dbraw/zinc/28/84/98/339288498.db2.gz YVEJUSQWIKAYMI-BZUAXINKSA-N -1 3 319.420 3.939 20 0 DHADHM CC[C@@]1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469428305 339288725 /nfs/dbraw/zinc/28/87/25/339288725.db2.gz OTZRMLSMYOSSNO-SFHVURJKSA-N -1 3 307.409 3.893 20 0 DHADHM CC(=O)Nc1ccc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1 ZINC000470255493 339315360 /nfs/dbraw/zinc/31/53/60/339315360.db2.gz PSWZZVMSZNOXTM-YFHOEESVSA-N -1 3 311.385 3.609 20 0 DHADHM Cc1ccc(NC(=O)CCc2cnc3ccccc3c2)c([O-])c1 ZINC000471574159 339347806 /nfs/dbraw/zinc/34/78/06/339347806.db2.gz MGTOKEKSJHQVAI-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM CCOc1cc2c(cc1NCc1cc([O-])cc(F)c1)O[C@H](C)C2 ZINC000472040592 339360305 /nfs/dbraw/zinc/36/03/05/339360305.db2.gz GMQRCHLWUQHMSF-LLVKDONJSA-N -1 3 317.360 3.866 20 0 DHADHM COc1ccc(-c2ccccc2)cc1CNCc1ncccc1[O-] ZINC000475337317 339447641 /nfs/dbraw/zinc/44/76/41/339447641.db2.gz ZVFQMBHTYVMJAZ-UHFFFAOYSA-N -1 3 320.392 3.753 20 0 DHADHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])O2 ZINC000476484713 339477353 /nfs/dbraw/zinc/47/73/53/339477353.db2.gz QGMOQJPBQQVHDE-MRXNPFEDSA-N -1 3 317.772 3.686 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCOc2ccccc2Cl)n1 ZINC000477368344 339493335 /nfs/dbraw/zinc/49/33/35/339493335.db2.gz WWVVPPBKROXEEB-UHFFFAOYSA-N -1 3 324.833 3.710 20 0 DHADHM O=S(=O)([N-][C@H](CC1CCC1)c1ccccc1)c1cccs1 ZINC000479928816 339553514 /nfs/dbraw/zinc/55/35/14/339553514.db2.gz SNJYPJHFBRCAJN-OAHLLOKOSA-N -1 3 321.467 3.958 20 0 DHADHM CC(C=Cc1cc(=O)[n-]c(-c2ccncc2)n1)=Cc1ccccc1 ZINC000486106300 339721265 /nfs/dbraw/zinc/72/12/65/339721265.db2.gz ZSBIQVXIWXWRNO-QOEFFGCWSA-N -1 3 315.376 3.949 20 0 DHADHM CCc1cc(C(=O)NCCc2c[nH]c3c2cccc3C)ccc1[O-] ZINC000486433251 339727165 /nfs/dbraw/zinc/72/71/65/339727165.db2.gz JQAWBWZXJXHUST-UHFFFAOYSA-N -1 3 322.408 3.717 20 0 DHADHM CCc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)ccc1[O-] ZINC000486464111 339727777 /nfs/dbraw/zinc/72/77/77/339727777.db2.gz FRPLSNQYMUBOLB-RDTXWAMCSA-N -1 3 309.409 3.973 20 0 DHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486589159 339729575 /nfs/dbraw/zinc/72/95/75/339729575.db2.gz ZAFXQAGIYZHNBG-UHFFFAOYSA-N -1 3 319.854 3.596 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000486793036 339734553 /nfs/dbraw/zinc/73/45/53/339734553.db2.gz WCKZWAVTWRYYBE-JTQLQIEISA-N -1 3 305.324 3.724 20 0 DHADHM CCCOc1ccc(NC(=O)/C=C\c2cncc([O-])c2)c(C)c1 ZINC000492523439 339902872 /nfs/dbraw/zinc/90/28/72/339902872.db2.gz WUTCLXLIQPWBSG-DAXSKMNVSA-N -1 3 312.369 3.536 20 0 DHADHM O=C(/C=C\C1CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000493149823 339918444 /nfs/dbraw/zinc/91/84/44/339918444.db2.gz KMIQXEVRJDHCIN-VURMDHGXSA-N -1 3 324.218 3.517 20 0 DHADHM O=C(/C=C/c1ccc2c(c1)CCO2)Nc1c([O-])cccc1Cl ZINC000493873534 339935384 /nfs/dbraw/zinc/93/53/84/339935384.db2.gz VBLALEWIXKQICN-FNORWQNLSA-N -1 3 315.756 3.632 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(-c3ccccc3)o2)ccc1[O-] ZINC000499805998 340045001 /nfs/dbraw/zinc/04/50/01/340045001.db2.gz GWGDZABVVKSWRW-UHFFFAOYSA-N -1 3 307.349 3.891 20 0 DHADHM Cc1cc(C(=O)NCCCc2c[nH]c3ccccc23)ccc1[O-] ZINC000499863411 340046133 /nfs/dbraw/zinc/04/61/33/340046133.db2.gz PVZOGAWGFJZPTB-UHFFFAOYSA-N -1 3 308.381 3.545 20 0 DHADHM CC(C)C[C@@H](C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000499933297 340047161 /nfs/dbraw/zinc/04/71/61/340047161.db2.gz CKOWKHAXGNSAIY-GFCCVEGCSA-N -1 3 310.463 3.838 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3F)C2)c1 ZINC000501563013 340083779 /nfs/dbraw/zinc/08/37/79/340083779.db2.gz CGAFDARHNGKOJW-UHFFFAOYSA-N -1 3 311.356 3.633 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1 ZINC000501864316 340089880 /nfs/dbraw/zinc/08/98/80/340089880.db2.gz YIGUEDXGMVQAFX-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC)c2)c(C)c1 ZINC000501857060 340089932 /nfs/dbraw/zinc/08/99/32/340089932.db2.gz QNPUINBJGWTZQN-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)COc2ccc(F)cc2)c([O-])c1 ZINC000501950853 340091270 /nfs/dbraw/zinc/09/12/70/340091270.db2.gz SCEHFJXYQAZITN-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000501968966 340091725 /nfs/dbraw/zinc/09/17/25/340091725.db2.gz ZCVPGNLRHSEXKI-GXTWGEPZSA-N -1 3 305.418 3.833 20 0 DHADHM O=c1[n-]c(=O)n(Cc2ccc(C3CCCCC3)cc2)cc1Cl ZINC000505527272 340170332 /nfs/dbraw/zinc/17/03/32/340170332.db2.gz SMPCLGVNHSEFEI-UHFFFAOYSA-N -1 3 318.804 3.698 20 0 DHADHM [O-]c1ccc(F)c(CN(Cc2ccc(F)cc2)C2CC2)c1F ZINC000506807596 340202167 /nfs/dbraw/zinc/20/21/67/340202167.db2.gz RUZSKMDEXRHRCX-UHFFFAOYSA-N -1 3 307.315 3.974 20 0 DHADHM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000507169344 340210702 /nfs/dbraw/zinc/21/07/02/340210702.db2.gz IVXSQTXHQNMUAV-QMMMGPOBSA-N -1 3 309.715 3.897 20 0 DHADHM [O-]c1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1Cl ZINC000507984349 340236874 /nfs/dbraw/zinc/23/68/74/340236874.db2.gz FGMQRHOBNBBIHR-OAHLLOKOSA-N -1 3 302.805 3.732 20 0 DHADHM O=C(NCCc1cccc(Cl)c1Cl)c1cccc([O-])c1 ZINC000508771627 340252443 /nfs/dbraw/zinc/25/24/43/340252443.db2.gz YLPATZSOXPBVJW-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM CCCCCN(C(=O)c1ccc2n[n-]nc2c1)[C@H](C)CCC ZINC000509322419 340266207 /nfs/dbraw/zinc/26/62/07/340266207.db2.gz XMSLSJAFRDJZKM-CYBMUJFWSA-N -1 3 302.422 3.779 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000509393468 340268139 /nfs/dbraw/zinc/26/81/39/340268139.db2.gz ZQQOLJKGLBAYFA-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCc3ccccc32)c1F ZINC000509768316 340278679 /nfs/dbraw/zinc/27/86/79/340278679.db2.gz WEWAXQKSFQKCFU-ZDUSSCGKSA-N -1 3 303.352 3.880 20 0 DHADHM C[C@H](CNCc1c(F)ccc([O-])c1F)COCc1ccccc1 ZINC000510111041 340289196 /nfs/dbraw/zinc/28/91/96/340289196.db2.gz AKCJSKOBKNRGJC-CYBMUJFWSA-N -1 3 321.367 3.613 20 0 DHADHM CC[C@@H](C)Oc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000302974095 340291394 /nfs/dbraw/zinc/29/13/94/340291394.db2.gz IPCNHSWDVJCUNP-GFCCVEGCSA-N -1 3 315.369 3.830 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1[O-] ZINC000302974732 340291639 /nfs/dbraw/zinc/29/16/39/340291639.db2.gz RTVPVJAMVWAJMZ-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000510841048 340312693 /nfs/dbraw/zinc/31/26/93/340312693.db2.gz IEGFUCQTHFRSSH-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000510841048 340312694 /nfs/dbraw/zinc/31/26/94/340312694.db2.gz IEGFUCQTHFRSSH-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000510841048 340312695 /nfs/dbraw/zinc/31/26/95/340312695.db2.gz IEGFUCQTHFRSSH-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(NCCCc1ccccc1F)c1cc([O-])ccc1Cl ZINC000510861358 340313214 /nfs/dbraw/zinc/31/32/14/340313214.db2.gz XXPQIAPAGXKQRU-UHFFFAOYSA-N -1 3 307.752 3.547 20 0 DHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000511092767 340320349 /nfs/dbraw/zinc/32/03/49/340320349.db2.gz UYKMZINWIABKJE-BZNIZROVSA-N -1 3 313.388 3.601 20 0 DHADHM Cc1ccc(O[C@H](C)CNCc2c(F)ccc([O-])c2F)cc1 ZINC000511414376 340326915 /nfs/dbraw/zinc/32/69/15/340326915.db2.gz KURRPYSKXPZHSJ-GFCCVEGCSA-N -1 3 307.340 3.536 20 0 DHADHM C[C@H](NCc1c(F)ccc([O-])c1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000511488524 340328426 /nfs/dbraw/zinc/32/84/26/340328426.db2.gz OJUBCYYLFRCGLP-DDBGAENHSA-N -1 3 319.351 3.713 20 0 DHADHM COC(=O)c1cc(NCc2c(F)ccc([O-])c2F)cc(C)c1C ZINC000512241179 340353661 /nfs/dbraw/zinc/35/36/61/340353661.db2.gz DBWXJENJNCKFPI-UHFFFAOYSA-N -1 3 321.323 3.686 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2ccc(C)cc2[O-])on1 ZINC000304061377 340359407 /nfs/dbraw/zinc/35/94/07/340359407.db2.gz RAZOEKGRXAMOTI-UHFFFAOYSA-N -1 3 302.374 3.522 20 0 DHADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512908602 340383667 /nfs/dbraw/zinc/38/36/67/340383667.db2.gz HUCILVYUDGHVHU-CZUORRHYSA-N -1 3 305.418 3.833 20 0 DHADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000513052851 340390926 /nfs/dbraw/zinc/39/09/26/340390926.db2.gz WITWJMHEGPDIBV-SNVBAGLBSA-N -1 3 324.302 3.938 20 0 DHADHM CSc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1F ZINC000182918337 340485890 /nfs/dbraw/zinc/48/58/90/340485890.db2.gz QBMNSVUGYGIBHI-UHFFFAOYSA-N -1 3 317.385 3.846 20 0 DHADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000183143493 340486550 /nfs/dbraw/zinc/48/65/50/340486550.db2.gz AZLNHXZJLADRAQ-LLVKDONJSA-N -1 3 323.314 3.772 20 0 DHADHM Cc1cc(Br)ccc1CNCc1cc([O-])cc(F)c1 ZINC000185529164 340502455 /nfs/dbraw/zinc/50/24/55/340502455.db2.gz ALCZZPHYOJYDIC-UHFFFAOYSA-N -1 3 324.193 3.892 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000185593890 340503281 /nfs/dbraw/zinc/50/32/81/340503281.db2.gz HNSVCVKMARMSOV-UHFFFAOYSA-N -1 3 317.751 3.983 20 0 DHADHM C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186276413 340510281 /nfs/dbraw/zinc/51/02/81/340510281.db2.gz HDHWPHNDECALQB-KBPBESRZSA-N -1 3 311.381 3.700 20 0 DHADHM CC(C)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188929434 340523542 /nfs/dbraw/zinc/52/35/42/340523542.db2.gz UKMPSSDKUSBHLR-UHFFFAOYSA-N -1 3 306.369 3.847 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)C(C)(C)C)nc2)n1 ZINC000523658542 340631175 /nfs/dbraw/zinc/63/11/75/340631175.db2.gz YEYHIAPZKVOMCO-LBPRGKRZSA-N -1 3 314.433 3.677 20 0 DHADHM O=C(Nc1nc2c(s1)CCCC2)c1cc([O-])ccc1Cl ZINC000236610327 340663026 /nfs/dbraw/zinc/66/30/26/340663026.db2.gz XECKZIZODDQYDT-UHFFFAOYSA-N -1 3 308.790 3.633 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3cc(F)cc(F)c3)no2)c1 ZINC000315982862 340677792 /nfs/dbraw/zinc/67/77/92/340677792.db2.gz HBAREACXWLOCSS-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM CCc1ccc([O-])c(C(=O)NCc2coc(-c3ccccc3)n2)c1 ZINC000524739938 340678229 /nfs/dbraw/zinc/67/82/29/340678229.db2.gz AKTNEEWZBLNTGE-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000524872874 340683039 /nfs/dbraw/zinc/68/30/39/340683039.db2.gz QTUPHEBEVDYHRN-ZYHUDNBSSA-N -1 3 319.829 3.726 20 0 DHADHM Cc1ccccc1C[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000528939096 340740070 /nfs/dbraw/zinc/74/00/70/340740070.db2.gz SEPWDRCSMKOUOF-OAHLLOKOSA-N -1 3 309.409 3.859 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000528958387 340740720 /nfs/dbraw/zinc/74/07/20/340740720.db2.gz HRVDCTUQWMARBN-BXKDBHETSA-N -1 3 312.207 3.558 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000530012744 340776386 /nfs/dbraw/zinc/77/63/86/340776386.db2.gz KJVHXYIVDSTEAS-NSHDSACASA-N -1 3 309.356 3.531 20 0 DHADHM COc1c(C)cc(Cl)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000530122006 340779905 /nfs/dbraw/zinc/77/99/05/340779905.db2.gz FUKGPCPAFBTMCT-UHFFFAOYSA-N -1 3 319.792 3.642 20 0 DHADHM CCC(CC)n1nc(C(=O)Nc2ccc([O-])cc2F)cc1C ZINC000124631509 340800169 /nfs/dbraw/zinc/80/01/69/340800169.db2.gz DQOTXSXCJDUMMV-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM O=C(Cc1cccc(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125289283 340803380 /nfs/dbraw/zinc/80/33/80/340803380.db2.gz GPLDNXHTESVJQE-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM Cc1c(Cl)cccc1OCC(=O)Nc1cccc([O-])c1F ZINC000128359883 340877681 /nfs/dbraw/zinc/87/76/81/340877681.db2.gz ANLIMJDMAWHBAA-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCCOc1cccc(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000128446441 340886341 /nfs/dbraw/zinc/88/63/41/340886341.db2.gz KASNFJXKPTZHRJ-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000128608804 340899958 /nfs/dbraw/zinc/89/99/58/340899958.db2.gz NXERNSHRGDOXDI-NEPJUHHUSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1SCCc2ccccc21 ZINC000129166011 340949720 /nfs/dbraw/zinc/94/97/20/340949720.db2.gz RVPXQGYYCOWJNX-OAHLLOKOSA-N -1 3 303.358 3.500 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)ccc1[O-] ZINC000540927149 340952176 /nfs/dbraw/zinc/95/21/76/340952176.db2.gz OQPQSGQWZMDITL-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000129415002 340959332 /nfs/dbraw/zinc/95/93/32/340959332.db2.gz VPFYPVTZEJYUMO-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129752332 340985335 /nfs/dbraw/zinc/98/53/35/340985335.db2.gz VTVHCHGICBTQPM-CQSZACIVSA-N -1 3 301.361 3.985 20 0 DHADHM CC(C)(C)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000542816545 341021824 /nfs/dbraw/zinc/02/18/24/341021824.db2.gz RDXLSUHRJZBTTD-GFCCVEGCSA-N -1 3 323.742 3.681 20 0 DHADHM Cc1ccccc1-c1cnc(C[S@@](=O)c2cccc([O-])c2)o1 ZINC000543622155 341051364 /nfs/dbraw/zinc/05/13/64/341051364.db2.gz GCKWETLPDWQWCT-JOCHJYFZSA-N -1 3 313.378 3.663 20 0 DHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000131010768 341056224 /nfs/dbraw/zinc/05/62/24/341056224.db2.gz ICCWVMRSDIKWBO-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000544667151 341090669 /nfs/dbraw/zinc/09/06/69/341090669.db2.gz GBSCETRTYATHSB-LBPRGKRZSA-N -1 3 323.380 3.640 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000544417827 341081360 /nfs/dbraw/zinc/08/13/60/341081360.db2.gz BYUQHLUXJLKBRF-LLVKDONJSA-N -1 3 324.421 3.815 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000544668622 341090622 /nfs/dbraw/zinc/09/06/22/341090622.db2.gz VTWPRRPJRLCAGZ-GFCCVEGCSA-N -1 3 323.380 3.559 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@H]4Cc5ccccc54)no3)n[n-]2)o1 ZINC000544984198 341102853 /nfs/dbraw/zinc/10/28/53/341102853.db2.gz LWFZZNAMLYHYJA-ZDUSSCGKSA-N -1 3 318.336 3.716 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@H]4Cc5ccccc54)no3)[n-]n2)o1 ZINC000544984198 341102854 /nfs/dbraw/zinc/10/28/54/341102854.db2.gz LWFZZNAMLYHYJA-ZDUSSCGKSA-N -1 3 318.336 3.716 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cccc(Cl)c3)n2)cc1 ZINC000545175140 341111195 /nfs/dbraw/zinc/11/11/95/341111195.db2.gz LMBBRPCOTVYUFX-UHFFFAOYSA-N -1 3 300.745 3.881 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1[O-] ZINC000545242648 341116893 /nfs/dbraw/zinc/11/68/93/341116893.db2.gz CXKQQOQFVIAYRF-CYBMUJFWSA-N -1 3 321.376 3.675 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(Cl)cc1F ZINC000132141915 341117264 /nfs/dbraw/zinc/11/72/64/341117264.db2.gz USFSRAGUCMXGED-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(-c3ccco3)[n-]n2)c2ccccc21 ZINC000132556517 341127144 /nfs/dbraw/zinc/12/71/44/341127144.db2.gz VAVCLUVFWPRILO-GFCCVEGCSA-N -1 3 307.353 3.824 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(-c3ccco3)n[n-]2)c2ccccc21 ZINC000132556517 341127145 /nfs/dbraw/zinc/12/71/45/341127145.db2.gz VAVCLUVFWPRILO-GFCCVEGCSA-N -1 3 307.353 3.824 20 0 DHADHM CCc1ccc([O-])c(-c2nc([C@H]3OCCc4ccccc43)no2)c1 ZINC000545709246 341137263 /nfs/dbraw/zinc/13/72/63/341137263.db2.gz GHAPJSSKHCWXLO-KRWDZBQOSA-N -1 3 322.364 3.667 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(Br)cs1 ZINC000132686748 341140845 /nfs/dbraw/zinc/14/08/45/341140845.db2.gz SRVYAULWHFBPCN-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C(F)(F)F)cn1 ZINC000545919460 341146052 /nfs/dbraw/zinc/14/60/52/341146052.db2.gz AFDBBLWKDTYCAC-UHFFFAOYSA-N -1 3 311.263 3.527 20 0 DHADHM CC[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132964534 341150760 /nfs/dbraw/zinc/15/07/60/341150760.db2.gz SAJDAFUUKLPBIO-AWEZNQCLSA-N -1 3 301.361 3.731 20 0 DHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)Cc1cccc(F)c1 ZINC000074825036 341152771 /nfs/dbraw/zinc/15/27/71/341152771.db2.gz GKBKFOOPYJZDPN-GFCCVEGCSA-N -1 3 319.351 3.556 20 0 DHADHM COC1CCC(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)CC1 ZINC000546544715 341172791 /nfs/dbraw/zinc/17/27/91/341172791.db2.gz ZHTNJMTZXHIWKS-UHFFFAOYSA-N -1 3 316.401 3.807 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccc(-n4cccc4)cc3)n2)cc1 ZINC000546589665 341173673 /nfs/dbraw/zinc/17/36/73/341173673.db2.gz IXWJRXBVPOPVEI-UHFFFAOYSA-N -1 3 317.348 3.824 20 0 DHADHM CC(C)(NCc1ncccc1[O-])c1ccccc1Br ZINC000564305825 341174442 /nfs/dbraw/zinc/17/44/42/341174442.db2.gz TYHKLXUDMMQJJP-UHFFFAOYSA-N -1 3 321.218 3.575 20 0 DHADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000134107458 341206523 /nfs/dbraw/zinc/20/65/23/341206523.db2.gz GDYDIZOMXMQSDN-VIFPVBQESA-N -1 3 310.275 3.548 20 0 DHADHM CCc1cc(C)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)o1 ZINC000135066130 341230254 /nfs/dbraw/zinc/23/02/54/341230254.db2.gz RGYWMPIGGVGTSA-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM C[C@@H]1C[C@@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000547769521 341231387 /nfs/dbraw/zinc/23/13/87/341231387.db2.gz JGQJAJIORORQMW-NXEZZACHSA-N -1 3 315.398 3.640 20 0 DHADHM O=C(Nc1cccc2cc[nH]c21)c1c[n-]nc1-c1ccccc1 ZINC000547819359 341234579 /nfs/dbraw/zinc/23/45/79/341234579.db2.gz PSUPQVDWSFQOJZ-UHFFFAOYSA-N -1 3 302.337 3.810 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1[O-] ZINC000078242922 341238893 /nfs/dbraw/zinc/23/88/93/341238893.db2.gz LKWIEGASCSLSNK-UHFFFAOYSA-N -1 3 321.323 3.574 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1[O-] ZINC000078430524 341242173 /nfs/dbraw/zinc/24/21/73/341242173.db2.gz ZHILYWYQXOARKF-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM CCc1cccc(C(=O)N(C)CC2(c3ccccc3)CC2)c1[O-] ZINC000548055755 341244967 /nfs/dbraw/zinc/24/49/67/341244967.db2.gz JQOQKKBHMLMJAN-UHFFFAOYSA-N -1 3 309.409 3.758 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C)c1 ZINC000078677257 341246117 /nfs/dbraw/zinc/24/61/17/341246117.db2.gz OAGWQSJDBSRISQ-UHFFFAOYSA-N -1 3 300.383 3.586 20 0 DHADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C(F)(F)F)o1 ZINC000548105097 341247439 /nfs/dbraw/zinc/24/74/39/341247439.db2.gz AVXVRKMAPBGIBQ-UHFFFAOYSA-N -1 3 303.211 3.704 20 0 DHADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)c1 ZINC000078967810 341250651 /nfs/dbraw/zinc/25/06/51/341250651.db2.gz BMPXSAWGDISBOP-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136274659 341256191 /nfs/dbraw/zinc/25/61/91/341256191.db2.gz LWRHKPLBFKAOIP-VOJFVSQTSA-N -1 3 315.800 3.638 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2ccccc2)CCC1 ZINC000136917948 341269082 /nfs/dbraw/zinc/26/90/82/341269082.db2.gz CHXWKRMFPUASGN-UHFFFAOYSA-N -1 3 313.372 3.561 20 0 DHADHM CCc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000548789361 341275610 /nfs/dbraw/zinc/27/56/10/341275610.db2.gz LUQUQGWYFRGHLM-UHFFFAOYSA-N -1 3 304.415 3.961 20 0 DHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000549989699 341308234 /nfs/dbraw/zinc/30/82/34/341308234.db2.gz SXYKEYREFBZIJU-QWHCGFSZSA-N -1 3 319.829 3.632 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CCCOCC3)n2)c2ccccc12 ZINC000551605994 341347062 /nfs/dbraw/zinc/34/70/62/341347062.db2.gz ONTUMNLHHHJSKK-GFCCVEGCSA-N -1 3 310.353 3.880 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cccnc3)n2)c2ccccc12 ZINC000551605969 341347087 /nfs/dbraw/zinc/34/70/87/341347087.db2.gz LXEKUQSNUQTGAU-UHFFFAOYSA-N -1 3 317.348 3.776 20 0 DHADHM O=C(c1cccc([O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552961879 341410726 /nfs/dbraw/zinc/41/07/26/341410726.db2.gz VDJUUPSHNKERTF-QRVBRYPASA-N -1 3 307.393 3.801 20 0 DHADHM CCc1cc(C(=O)N[C@H](C)c2cc(F)ccc2OC)ccc1[O-] ZINC000553005670 341412549 /nfs/dbraw/zinc/41/25/49/341412549.db2.gz XDWBKICADYTCGN-LLVKDONJSA-N -1 3 317.360 3.593 20 0 DHADHM Cc1ccc(Cc2noc(Cc3ccc([O-])cc3Cl)n2)s1 ZINC000554844438 341466291 /nfs/dbraw/zinc/46/62/91/341466291.db2.gz CKTRQHQUSXQFMJ-UHFFFAOYSA-N -1 3 320.801 3.980 20 0 DHADHM CCc1ccc(CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000556255667 341499674 /nfs/dbraw/zinc/49/96/74/341499674.db2.gz OHDPZRZQHWTSTG-UHFFFAOYSA-N -1 3 303.789 3.581 20 0 DHADHM [O-]c1ccc(Cc2nc(C3(c4ccccc4)CCC3)no2)cc1F ZINC000566602990 341563043 /nfs/dbraw/zinc/56/30/43/341563043.db2.gz OXLORSCUBYGCQX-UHFFFAOYSA-N -1 3 324.355 3.975 20 0 DHADHM CCc1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)c([O-])c1 ZINC000566999147 341573734 /nfs/dbraw/zinc/57/37/34/341573734.db2.gz QQDXMJOTOVIYRC-AWEZNQCLSA-N -1 3 322.364 3.919 20 0 DHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000155230020 341604536 /nfs/dbraw/zinc/60/45/36/341604536.db2.gz YBJMBGZEGUMXAR-SNVBAGLBSA-N -1 3 322.767 3.745 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)ccc1[O-] ZINC000572934742 341709956 /nfs/dbraw/zinc/70/99/56/341709956.db2.gz YNKRCHKXKNNJSP-GOSISDBHSA-N -1 3 309.409 3.893 20 0 DHADHM CC(C)[C@@H](CNC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000577611383 341923225 /nfs/dbraw/zinc/92/32/25/341923225.db2.gz WDRQUBBSOMCPRX-GFCCVEGCSA-N -1 3 324.833 3.672 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1SCCc2sccc21 ZINC000178325704 341951646 /nfs/dbraw/zinc/95/16/46/341951646.db2.gz ZEPXEFVZCMJWKC-ZDUSSCGKSA-N -1 3 309.387 3.562 20 0 DHADHM O=C(Nc1ccc(Br)c(F)c1)c1cccc([O-])c1 ZINC000088084567 518200893 /nfs/dbraw/zinc/20/08/93/518200893.db2.gz OCSCKQGUSYXVDU-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM O=C(c1ccc(F)c(Cl)c1F)N1CCCc2cccc([O-])c21 ZINC000182922320 518202090 /nfs/dbraw/zinc/20/20/90/518202090.db2.gz MKOLDWSMCYZGPZ-UHFFFAOYSA-N -1 3 323.726 3.917 20 0 DHADHM C/C=C(\C=C\C(=O)NCc1ccc([O-])c(Br)c1)CC ZINC000156539106 518488111 /nfs/dbraw/zinc/48/81/11/518488111.db2.gz CKBLLNPKENQAFZ-QNTMDFBYSA-N -1 3 324.218 3.683 20 0 DHADHM CC(=O)CC(C)(C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000187938089 519377148 /nfs/dbraw/zinc/37/71/48/519377148.db2.gz AGETUVAXTUBYPH-LBPRGKRZSA-N -1 3 303.402 3.628 20 0 DHADHM CCOC(=O)C[C@@H](C)SCc1ccc([O-])c2nc(C)ccc12 ZINC000337752592 520839229 /nfs/dbraw/zinc/83/92/29/520839229.db2.gz KAGCYEOAYKEPFY-GFCCVEGCSA-N -1 3 319.426 3.824 20 0 DHADHM CCCn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C1CC1 ZINC000158904494 521671325 /nfs/dbraw/zinc/67/13/25/521671325.db2.gz NUIHWPOIJBGMJW-UHFFFAOYSA-N -1 3 319.792 3.782 20 0 DHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265701069 522402602 /nfs/dbraw/zinc/40/26/02/522402602.db2.gz QSBPUCSLIUPSGG-CXAGYDPISA-N -1 3 312.413 3.981 20 0 DHADHM COc1cc(Cl)c(CN[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000262720269 522523071 /nfs/dbraw/zinc/52/30/71/522523071.db2.gz VASMSLQFEJVFQQ-LBPRGKRZSA-N -1 3 320.216 3.591 20 0 DHADHM CC[C@H](NCc1ccc([O-])c2nc(C)ccc12)c1nccs1 ZINC000338293212 522648037 /nfs/dbraw/zinc/64/80/37/522648037.db2.gz SPENFIYPMHVYCQ-AWEZNQCLSA-N -1 3 313.426 3.946 20 0 DHADHM COCc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186265127 522951485 /nfs/dbraw/zinc/95/14/85/522951485.db2.gz IHFDGRSLDBZLLP-CYBMUJFWSA-N -1 3 311.381 3.693 20 0 DHADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265694069 525352973 /nfs/dbraw/zinc/35/29/73/525352973.db2.gz XBZIDWVWCVOORD-IGCXYCKISA-N -1 3 310.397 3.734 20 0 DHADHM COc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1[O-] ZINC000102302788 525798048 /nfs/dbraw/zinc/79/80/48/525798048.db2.gz QVEBPKPLQQXAJX-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM CC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000340311708 534887492 /nfs/dbraw/zinc/88/74/92/534887492.db2.gz CEUIJPVIIAYCPK-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182905818 525893326 /nfs/dbraw/zinc/89/33/26/525893326.db2.gz ZZATYGFGSSUXEC-KBPBESRZSA-N -1 3 313.422 3.845 20 0 DHADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)c1c(F)cccc1F ZINC000182949930 525980952 /nfs/dbraw/zinc/98/09/52/525980952.db2.gz NGTXGISQCFFFJY-NSHDSACASA-N -1 3 317.335 3.753 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227824241 526053272 /nfs/dbraw/zinc/05/32/72/526053272.db2.gz QARXBDGXAIOVKP-OTYXRUKQSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](c3cccs3)C[C@H]2C)c([O-])c1 ZINC000371001122 526138496 /nfs/dbraw/zinc/13/84/96/526138496.db2.gz SANZZVRUMWDWMX-OLZOCXBDSA-N -1 3 301.411 3.780 20 0 DHADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267189125 526220598 /nfs/dbraw/zinc/22/05/98/526220598.db2.gz BCLFITMAKSKPJJ-OCCSQVGLSA-N -1 3 312.413 3.885 20 0 DHADHM Cc1ccc2[nH]c(CNCc3cccc([O-])c3Cl)nc2c1 ZINC000339290156 526249251 /nfs/dbraw/zinc/24/92/51/526249251.db2.gz KAAJUPCZAPCMQO-UHFFFAOYSA-N -1 3 301.777 3.520 20 0 DHADHM Cc1ccc2nc(CNCc3cccc([O-])c3Cl)[nH]c2c1 ZINC000339290156 526249253 /nfs/dbraw/zinc/24/92/53/526249253.db2.gz KAAJUPCZAPCMQO-UHFFFAOYSA-N -1 3 301.777 3.520 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCCc3c(O)cccc32)c1Cl ZINC000339371148 526360489 /nfs/dbraw/zinc/36/04/89/526360489.db2.gz HNBTVARGNFHSEQ-AWEZNQCLSA-N -1 3 303.789 3.918 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1c1ccc(F)cc1 ZINC000267697140 526704190 /nfs/dbraw/zinc/70/41/90/526704190.db2.gz FPSOZURKSMEENL-INIZCTEOSA-N -1 3 315.344 3.604 20 0 DHADHM Cc1nc(CN(C)Cc2ccc([O-])c3nc(C)ccc23)cs1 ZINC000338240592 526841395 /nfs/dbraw/zinc/84/13/95/526841395.db2.gz YYQMEDNGCLUPHO-UHFFFAOYSA-N -1 3 313.426 3.646 20 0 DHADHM [O-]C(=NOCCC(F)(F)F)Nc1ccc2c3c(cccc31)CC2 ZINC000156298755 526845499 /nfs/dbraw/zinc/84/54/99/526845499.db2.gz KEKKNJHUXKDDHY-UHFFFAOYSA-N -1 3 324.302 3.944 20 0 DHADHM O=C([N-]OCCC(F)(F)F)Nc1ccc2c3c(cccc31)CC2 ZINC000156298755 526845509 /nfs/dbraw/zinc/84/55/09/526845509.db2.gz KEKKNJHUXKDDHY-UHFFFAOYSA-N -1 3 324.302 3.944 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cccc(Cl)c1F ZINC000182670442 527528357 /nfs/dbraw/zinc/52/83/57/527528357.db2.gz JMWKUTDMLRNZEZ-UHFFFAOYSA-N -1 3 322.771 3.828 20 0 DHADHM O=C([O-])CCCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000181556139 527582503 /nfs/dbraw/zinc/58/25/03/527582503.db2.gz GNKAYCDDRDWBNZ-UHFFFAOYSA-N -1 3 311.372 3.964 20 0 DHADHM CC(C)(CNCc1ccc(Oc2ccccc2)o1)CC(=O)[O-] ZINC000277547211 535147207 /nfs/dbraw/zinc/14/72/07/535147207.db2.gz ZYYPXSOENMCKCE-UHFFFAOYSA-N -1 3 303.358 3.662 20 0 DHADHM Cc1c(NCc2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822123163 607258089 /nfs/dbraw/zinc/25/80/89/607258089.db2.gz UUFBVAOMGMVPCI-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1c(NCc2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822123163 607258090 /nfs/dbraw/zinc/25/80/90/607258090.db2.gz UUFBVAOMGMVPCI-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000820554991 599342248 /nfs/dbraw/zinc/34/22/48/599342248.db2.gz DEAFDYBEAUXNFF-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000820554991 599342251 /nfs/dbraw/zinc/34/22/51/599342251.db2.gz DEAFDYBEAUXNFF-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000736192869 599168308 /nfs/dbraw/zinc/16/83/08/599168308.db2.gz NAEBBTRCDYPDQT-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000736192869 599168310 /nfs/dbraw/zinc/16/83/10/599168310.db2.gz NAEBBTRCDYPDQT-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736443622 599186447 /nfs/dbraw/zinc/18/64/47/599186447.db2.gz AXIDSIGRGWRDNX-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCCC[C@@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736443622 599186449 /nfs/dbraw/zinc/18/64/49/599186449.db2.gz AXIDSIGRGWRDNX-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000737180113 599233011 /nfs/dbraw/zinc/23/30/11/599233011.db2.gz PBMHLSQZLMXROE-QWRGUYRKSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000737180113 599233014 /nfs/dbraw/zinc/23/30/14/599233014.db2.gz PBMHLSQZLMXROE-QWRGUYRKSA-N -1 3 323.853 3.606 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533202795 597085649 /nfs/dbraw/zinc/08/56/49/597085649.db2.gz ZJUFIWBGLPYMQL-ZIAGYGMSSA-N -1 3 314.385 3.589 20 0 DHADHM Cc1cccc(Cl)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737396993 599363786 /nfs/dbraw/zinc/36/37/86/599363786.db2.gz PRISWVUURXZQEE-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1cccc(Cl)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737396993 599363788 /nfs/dbraw/zinc/36/37/88/599363788.db2.gz PRISWVUURXZQEE-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822034440 607311028 /nfs/dbraw/zinc/31/10/28/607311028.db2.gz CWAXMCKWEXMULT-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000822209352 607318799 /nfs/dbraw/zinc/31/87/99/607318799.db2.gz FBWZXKJSURCKEE-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000822209352 607318800 /nfs/dbraw/zinc/31/88/00/607318800.db2.gz FBWZXKJSURCKEE-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM C[C@@H](Sc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189667 599285209 /nfs/dbraw/zinc/28/52/09/599285209.db2.gz BGYCHQZWIYEPDX-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@@H](Sc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189667 599285210 /nfs/dbraw/zinc/28/52/10/599285210.db2.gz BGYCHQZWIYEPDX-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193347 599289512 /nfs/dbraw/zinc/28/95/12/599289512.db2.gz PMJXWCFOQBQKSI-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193347 599289515 /nfs/dbraw/zinc/28/95/15/599289515.db2.gz PMJXWCFOQBQKSI-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000736137129 598234115 /nfs/dbraw/zinc/23/41/15/598234115.db2.gz IKGPMKLSCTWHEH-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccccc1N(Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000737435848 598312389 /nfs/dbraw/zinc/31/23/89/598312389.db2.gz KZWOIJNWWHLCCH-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1ccccc1N(Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000737435848 598312391 /nfs/dbraw/zinc/31/23/91/598312391.db2.gz KZWOIJNWWHLCCH-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM CC[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736335181 598331047 /nfs/dbraw/zinc/33/10/47/598331047.db2.gz YPWRAPSVLLPIHK-OLZOCXBDSA-N -1 3 316.405 3.543 20 0 DHADHM CC[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736335181 598331049 /nfs/dbraw/zinc/33/10/49/598331049.db2.gz YPWRAPSVLLPIHK-OLZOCXBDSA-N -1 3 316.405 3.543 20 0 DHADHM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCCC2)cc1 ZINC000738429240 598522173 /nfs/dbraw/zinc/52/21/73/598522173.db2.gz WKIOISAFWIRHNA-QGZVFWFLSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCCC2)cc1 ZINC000738429240 598522174 /nfs/dbraw/zinc/52/21/74/598522174.db2.gz WKIOISAFWIRHNA-QGZVFWFLSA-N -1 3 320.400 3.605 20 0 DHADHM Cc1ccccc1[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000737420206 598815196 /nfs/dbraw/zinc/81/51/96/598815196.db2.gz HIDJRRNUGWRAHU-LBPRGKRZSA-N -1 3 311.364 3.512 20 0 DHADHM Cc1ccccc1[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000737420206 598815197 /nfs/dbraw/zinc/81/51/97/598815197.db2.gz HIDJRRNUGWRAHU-LBPRGKRZSA-N -1 3 311.364 3.512 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820554939 599344323 /nfs/dbraw/zinc/34/43/23/599344323.db2.gz CALYHXGJEOHXLZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820554939 599344325 /nfs/dbraw/zinc/34/43/25/599344325.db2.gz CALYHXGJEOHXLZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Nc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461320 599354700 /nfs/dbraw/zinc/35/47/00/599354700.db2.gz HHWZKKUVJUCHCV-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461320 599354704 /nfs/dbraw/zinc/35/47/04/599354704.db2.gz HHWZKKUVJUCHCV-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461888 599374115 /nfs/dbraw/zinc/37/41/15/599374115.db2.gz SGBXBTDGKVFHSQ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461888 599374118 /nfs/dbraw/zinc/37/41/18/599374118.db2.gz SGBXBTDGKVFHSQ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM c1ccc2c(c1)nc(NC1CCCCCC1)cc2-c1nnn[n-]1 ZINC000738433298 599394548 /nfs/dbraw/zinc/39/45/48/599394548.db2.gz POFYGWFWNTVBJT-UHFFFAOYSA-N -1 3 308.389 3.550 20 0 DHADHM c1ccc2c(c1)nc(NC1CCCCCC1)cc2-c1nn[n-]n1 ZINC000738433298 599394550 /nfs/dbraw/zinc/39/45/50/599394550.db2.gz POFYGWFWNTVBJT-UHFFFAOYSA-N -1 3 308.389 3.550 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820308489 599489861 /nfs/dbraw/zinc/48/98/61/599489861.db2.gz VVTHDQSZLVABGR-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820308489 599489863 /nfs/dbraw/zinc/48/98/63/599489863.db2.gz VVTHDQSZLVABGR-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820308495 599490357 /nfs/dbraw/zinc/49/03/57/599490357.db2.gz VVTHDQSZLVABGR-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820308495 599490358 /nfs/dbraw/zinc/49/03/58/599490358.db2.gz VVTHDQSZLVABGR-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM CC(C)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820192387 599492883 /nfs/dbraw/zinc/49/28/83/599492883.db2.gz LZFKBKDIYGNKTD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820192387 599492884 /nfs/dbraw/zinc/49/28/84/599492884.db2.gz LZFKBKDIYGNKTD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737424853 599529163 /nfs/dbraw/zinc/52/91/63/599529163.db2.gz YCOFDPNLPHFNND-GDBMZVCRSA-N -1 3 319.412 3.558 20 0 DHADHM Cc1cccc(C)c1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737391394 599598791 /nfs/dbraw/zinc/59/87/91/599598791.db2.gz ZEJLAYJJDAKDOU-UHFFFAOYSA-N -1 3 310.426 3.917 20 0 DHADHM Cc1cccc(C)c1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737391394 599598793 /nfs/dbraw/zinc/59/87/93/599598793.db2.gz ZEJLAYJJDAKDOU-UHFFFAOYSA-N -1 3 310.426 3.917 20 0 DHADHM CCCCC[C@@H](C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821050411 599623057 /nfs/dbraw/zinc/62/30/57/599623057.db2.gz RQHCQHLINJMGPM-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCC[C@@H](C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821050411 599623058 /nfs/dbraw/zinc/62/30/58/599623058.db2.gz RQHCQHLINJMGPM-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM COc1c(C)cc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000580955664 599719860 /nfs/dbraw/zinc/71/98/60/599719860.db2.gz LRFNDUURIWBUPT-ZDUSSCGKSA-N -1 3 317.385 3.796 20 0 DHADHM O=C([O-])c1occc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000740282357 599794059 /nfs/dbraw/zinc/79/40/59/599794059.db2.gz UXBAYGPAZQIAEA-HNNXBMFYSA-N -1 3 303.333 3.748 20 0 DHADHM C[C@@H](CN(Cc1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000652488859 599946993 /nfs/dbraw/zinc/94/69/93/599946993.db2.gz QAKWZGHYUBYDHM-VIFPVBQESA-N -1 3 302.201 3.679 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1cccs1 ZINC000564738868 600083036 /nfs/dbraw/zinc/08/30/36/600083036.db2.gz SYTWIMGVSQYMFQ-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM COc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738093724 600426865 /nfs/dbraw/zinc/42/68/65/600426865.db2.gz YIWSBUUWIUKBIF-MEDUHNTESA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000739505654 600428392 /nfs/dbraw/zinc/42/83/92/600428392.db2.gz DOOHNTREBVOWPD-HOTGVXAUSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000739510180 600436365 /nfs/dbraw/zinc/43/63/65/600436365.db2.gz XKMDMPNWJXNAJF-HOTGVXAUSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832877654 600744548 /nfs/dbraw/zinc/74/45/48/600744548.db2.gz MCVLNACAABMGFE-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000827717145 600746341 /nfs/dbraw/zinc/74/63/41/600746341.db2.gz DIFJRZUCHUUXKI-MWLCHTKSSA-N -1 3 317.216 3.786 20 0 DHADHM C/C(=C\CN1CCC(c2nc(C(C)(C)C)cs2)CC1)C(=O)[O-] ZINC000825735545 601160893 /nfs/dbraw/zinc/16/08/93/601160893.db2.gz QBNSFTIQMQCAHL-LFYBBSHMSA-N -1 3 322.474 3.651 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000828672709 601432875 /nfs/dbraw/zinc/43/28/75/601432875.db2.gz VKQAAHGIQXBZNN-AWEZNQCLSA-N -1 3 310.444 3.605 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000828671113 601557907 /nfs/dbraw/zinc/55/79/07/601557907.db2.gz ADXFBOBBBOWQEO-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM COc1ccc(CN(C)Cc2cc(C(=O)[O-])sc2C)cc1C ZINC000832311107 601628739 /nfs/dbraw/zinc/62/87/39/601628739.db2.gz PVCKUIFURWIMEP-UHFFFAOYSA-N -1 3 319.426 3.704 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN[C@@H](c1ncccc1C)C(C)C ZINC000832984058 601640811 /nfs/dbraw/zinc/64/08/11/601640811.db2.gz TYPVJFJKSBOLGU-OAHLLOKOSA-N -1 3 318.442 3.945 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000826053411 601656565 /nfs/dbraw/zinc/65/65/65/601656565.db2.gz IXBPKIKPIUAZAJ-AUUYWEPGSA-N -1 3 320.392 3.786 20 0 DHADHM COCCN(Cc1ccsc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000831741196 601810743 /nfs/dbraw/zinc/81/07/43/601810743.db2.gz MBERCCWYVSATPC-CYBMUJFWSA-N -1 3 319.426 3.656 20 0 DHADHM O=C([O-])c1cc(CNC2(c3cccc(C(F)(F)F)c3)CC2)c[nH]1 ZINC000833296784 601832742 /nfs/dbraw/zinc/83/27/42/601832742.db2.gz WQTKQJPULYACLW-UHFFFAOYSA-N -1 3 324.302 3.511 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000584177563 601939766 /nfs/dbraw/zinc/93/97/66/601939766.db2.gz CPILZBMMVYYDPD-NSHDSACASA-N -1 3 305.399 3.648 20 0 DHADHM O=C([O-])c1ccc(CN2CCS[C@@H](c3ccccc3)C2)s1 ZINC000833315133 601958400 /nfs/dbraw/zinc/95/84/00/601958400.db2.gz UJHHSTAHPSRZKQ-OAHLLOKOSA-N -1 3 319.451 3.736 20 0 DHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000832341384 602178462 /nfs/dbraw/zinc/17/84/62/602178462.db2.gz KHDYUQWLKNFKII-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000739025472 602444475 /nfs/dbraw/zinc/44/44/75/602444475.db2.gz KBSHREUVQSDVKJ-VXGBXAGGSA-N -1 3 310.825 3.769 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000739029156 602451170 /nfs/dbraw/zinc/45/11/70/602451170.db2.gz SXAWZEUBCOPBBT-VXGBXAGGSA-N -1 3 310.825 3.769 20 0 DHADHM CC(C)[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1 ZINC000824144409 603532336 /nfs/dbraw/zinc/53/23/36/603532336.db2.gz XUTOYUZYLCMGHU-MRXNPFEDSA-N -1 3 317.364 3.798 20 0 DHADHM COc1ccc2c(c1)nccc2NCc1cccc(C(=O)[O-])c1 ZINC000832486905 604272472 /nfs/dbraw/zinc/27/24/72/604272472.db2.gz CWBFNPVVHSVOHL-UHFFFAOYSA-N -1 3 308.337 3.554 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)Cc2ccccc2C(=O)[O-])s1 ZINC000833672856 604661218 /nfs/dbraw/zinc/66/12/18/604661218.db2.gz FDIHQQVSOCHZJI-GFCCVEGCSA-N -1 3 318.442 3.905 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000827717718 604985279 /nfs/dbraw/zinc/98/52/79/604985279.db2.gz LGFGDLJFTMIRFX-IINYFYTJSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc2ccccc2c1 ZINC000827717728 604985610 /nfs/dbraw/zinc/98/56/10/604985610.db2.gz LHZSIIGGCKIGGO-UGSOOPFHSA-N -1 3 306.365 3.711 20 0 DHADHM CCSc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830169708 604998922 /nfs/dbraw/zinc/99/89/22/604998922.db2.gz WLIBOCIUZUQRIT-LRDDRELGSA-N -1 3 316.426 3.670 20 0 DHADHM CCSc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830169706 604999116 /nfs/dbraw/zinc/99/91/16/604999116.db2.gz WLIBOCIUZUQRIT-BLLLJJGKSA-N -1 3 316.426 3.670 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])[nH]1)C1c2ccccc2-c2ccccc21 ZINC000833696198 605112225 /nfs/dbraw/zinc/11/22/25/605112225.db2.gz HBOYCIBUFJZCSY-UHFFFAOYSA-N -1 3 318.376 3.915 20 0 DHADHM C/C(=C/CN[C@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000833383331 605144515 /nfs/dbraw/zinc/14/45/15/605144515.db2.gz MBDVLBUYLCXWKH-DEQJRXDXSA-N -1 3 313.372 3.730 20 0 DHADHM C[C@@H]1CCCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000576114250 605211156 /nfs/dbraw/zinc/21/11/56/605211156.db2.gz QRHIHSOUCNMLET-CYBMUJFWSA-N -1 3 314.385 3.804 20 0 DHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccoc1C(=O)[O-] ZINC000833617464 605217465 /nfs/dbraw/zinc/21/74/65/605217465.db2.gz RXKRZKSUBIIQHF-MEBBXXQBSA-N -1 3 303.333 3.530 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165698696 605551456 /nfs/dbraw/zinc/55/14/56/605551456.db2.gz YOYMUGLFNZMHLP-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])Nc1cccc(CN2CCC(c3nccs3)CC2)c1 ZINC000834269349 605597626 /nfs/dbraw/zinc/59/76/26/605597626.db2.gz UAWSTFFVSUNDQL-UHFFFAOYSA-N -1 3 317.414 3.613 20 0 DHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccsc1C(=O)[O-] ZINC000833605173 605700980 /nfs/dbraw/zinc/70/09/80/605700980.db2.gz IFTVKTNWJOLICM-WPRPVWTQSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccsc1C(=O)[O-] ZINC000833605164 605700912 /nfs/dbraw/zinc/70/09/12/605700912.db2.gz IFTVKTNWJOLICM-SCZZXKLOSA-N -1 3 307.337 3.609 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](NC2(c3ccccc3)CC2)c2ccccc21 ZINC000834159271 605807774 /nfs/dbraw/zinc/80/77/74/605807774.db2.gz OOIRUGLMAMPFBY-SJORKVTESA-N -1 3 308.381 3.719 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](NC2(c3ccccc3)CC2)c2ccccc21 ZINC000834159265 605808135 /nfs/dbraw/zinc/80/81/35/605808135.db2.gz OOIRUGLMAMPFBY-IAGOWNOFSA-N -1 3 308.381 3.719 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821039095 606264275 /nfs/dbraw/zinc/26/42/75/606264275.db2.gz AGYTUMIZCWHEKJ-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821039095 606264277 /nfs/dbraw/zinc/26/42/77/606264277.db2.gz AGYTUMIZCWHEKJ-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c(C)s1 ZINC000822191685 606450450 /nfs/dbraw/zinc/45/04/50/606450450.db2.gz ODZQQGRWUQMXHY-SECBINFHSA-N -1 3 317.393 3.857 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c(C)s1 ZINC000822191685 606450451 /nfs/dbraw/zinc/45/04/51/606450451.db2.gz ODZQQGRWUQMXHY-SECBINFHSA-N -1 3 317.393 3.857 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819950239 606458256 /nfs/dbraw/zinc/45/82/56/606458256.db2.gz FYIAKGUWNTVYQA-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819950239 606458258 /nfs/dbraw/zinc/45/82/58/606458258.db2.gz FYIAKGUWNTVYQA-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229125 606733305 /nfs/dbraw/zinc/73/33/05/606733305.db2.gz NCWIHNSPGNWETD-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM CC(C)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000820192790 606927214 /nfs/dbraw/zinc/92/72/14/606927214.db2.gz ZNBJURVOSOKZAS-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000820192790 606927216 /nfs/dbraw/zinc/92/72/16/606927216.db2.gz ZNBJURVOSOKZAS-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM Fc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822783158 607007526 /nfs/dbraw/zinc/00/75/26/607007526.db2.gz XSSLKOQUYYUCSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822783158 607007529 /nfs/dbraw/zinc/00/75/29/607007529.db2.gz XSSLKOQUYYUCSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000822786751 607012173 /nfs/dbraw/zinc/01/21/73/607012173.db2.gz OMMNPVKWMVJIBE-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000822786751 607012175 /nfs/dbraw/zinc/01/21/75/607012175.db2.gz OMMNPVKWMVJIBE-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM CCC[C@H](C(=O)Nc1sc(CC)cc1-c1nnn[n-]1)C(C)C ZINC000825225114 608153992 /nfs/dbraw/zinc/15/39/92/608153992.db2.gz LWUKQHXSMIIHQO-NSHDSACASA-N -1 3 321.450 3.501 20 0 DHADHM CCC[C@H](C(=O)Nc1sc(CC)cc1-c1nn[n-]n1)C(C)C ZINC000825225114 608153993 /nfs/dbraw/zinc/15/39/93/608153993.db2.gz LWUKQHXSMIIHQO-NSHDSACASA-N -1 3 321.450 3.501 20 0 DHADHM Cc1cnc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826318727 608238435 /nfs/dbraw/zinc/23/84/35/608238435.db2.gz WSWFXEGLOGLJJQ-JTQLQIEISA-N -1 3 317.443 3.626 20 0 DHADHM Cc1cnc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826318727 608238438 /nfs/dbraw/zinc/23/84/38/608238438.db2.gz WSWFXEGLOGLJJQ-JTQLQIEISA-N -1 3 317.443 3.626 20 0 DHADHM CSc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826230595 608390183 /nfs/dbraw/zinc/39/01/83/608390183.db2.gz ARAJYWSDXWZNST-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826230595 608390185 /nfs/dbraw/zinc/39/01/85/608390185.db2.gz ARAJYWSDXWZNST-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CC(C)c1ccc([C@H](C)Nc2cnccc2-c2nnn[n-]2)cc1 ZINC000824348073 608768358 /nfs/dbraw/zinc/76/83/58/608768358.db2.gz YQRULVIKQOYTIL-LBPRGKRZSA-N -1 3 308.389 3.558 20 0 DHADHM CC(C)c1ccc([C@H](C)Nc2cnccc2-c2nn[n-]n2)cc1 ZINC000824348073 608768360 /nfs/dbraw/zinc/76/83/60/608768360.db2.gz YQRULVIKQOYTIL-LBPRGKRZSA-N -1 3 308.389 3.558 20 0 DHADHM c1c2ccccc2sc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826517071 608869398 /nfs/dbraw/zinc/86/93/98/608869398.db2.gz PDZRXLFWERPJKG-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1c2ccccc2sc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826517071 608869399 /nfs/dbraw/zinc/86/93/99/608869399.db2.gz PDZRXLFWERPJKG-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826291538 609161310 /nfs/dbraw/zinc/16/13/10/609161310.db2.gz KOENPTBZFFVTEB-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826291538 609161311 /nfs/dbraw/zinc/16/13/11/609161311.db2.gz KOENPTBZFFVTEB-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826298399 609183971 /nfs/dbraw/zinc/18/39/71/609183971.db2.gz QXKKTHBETZFMIY-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826298399 609183972 /nfs/dbraw/zinc/18/39/72/609183972.db2.gz QXKKTHBETZFMIY-LBPRGKRZSA-N -1 3 311.414 3.565 20 0 DHADHM CCOc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825615738 609277992 /nfs/dbraw/zinc/27/79/92/609277992.db2.gz ITSHGAWZTMNFLI-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825615738 609277994 /nfs/dbraw/zinc/27/79/94/609277994.db2.gz ITSHGAWZTMNFLI-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826291339 609348642 /nfs/dbraw/zinc/34/86/42/609348642.db2.gz ATWCBQMCUINWJG-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826291339 609348646 /nfs/dbraw/zinc/34/86/46/609348646.db2.gz ATWCBQMCUINWJG-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM FC(F)(F)c1cc(SC/C=C/Cl)ccc1-c1nnn[n-]1 ZINC000826368520 609451293 /nfs/dbraw/zinc/45/12/93/609451293.db2.gz SOJXLUYOPNCJHG-DAFODLJHSA-N -1 3 320.727 3.730 20 0 DHADHM FC(F)(F)c1cc(SC/C=C/Cl)ccc1-c1nn[n-]n1 ZINC000826368520 609451295 /nfs/dbraw/zinc/45/12/95/609451295.db2.gz SOJXLUYOPNCJHG-DAFODLJHSA-N -1 3 320.727 3.730 20 0 DHADHM Cc1cccc(Cl)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826298300 609479153 /nfs/dbraw/zinc/47/91/53/609479153.db2.gz MUJOTHJXLGMLFN-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(Cl)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826298300 609479154 /nfs/dbraw/zinc/47/91/54/609479154.db2.gz MUJOTHJXLGMLFN-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Clc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000737584958 945098336 /nfs/dbraw/zinc/09/83/36/945098336.db2.gz UNQKYAMAGXHRRQ-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000737584958 945098341 /nfs/dbraw/zinc/09/83/41/945098341.db2.gz UNQKYAMAGXHRRQ-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Cl/C=C(\Cl)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826350080 948095413 /nfs/dbraw/zinc/09/54/13/948095413.db2.gz HLANUHPFLNJIEC-XQRVVYSFSA-N -1 3 321.620 3.931 20 0 DHADHM Cl/C=C(\Cl)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826350080 948095427 /nfs/dbraw/zinc/09/54/27/948095427.db2.gz HLANUHPFLNJIEC-XQRVVYSFSA-N -1 3 321.620 3.931 20 0 DHADHM Clc1cc(-c2nnn[n-]2)ccc1OCCCc1ccsc1 ZINC000826351131 948098139 /nfs/dbraw/zinc/09/81/39/948098139.db2.gz YEDMHBVUQAQPMG-UHFFFAOYSA-N -1 3 320.805 3.593 20 0 DHADHM Clc1cc(-c2nn[n-]n2)ccc1OCCCc1ccsc1 ZINC000826351131 948098148 /nfs/dbraw/zinc/09/81/48/948098148.db2.gz YEDMHBVUQAQPMG-UHFFFAOYSA-N -1 3 320.805 3.593 20 0 DHADHM O=C1CCCCC[C@H]1Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480059 948392776 /nfs/dbraw/zinc/39/27/76/948392776.db2.gz QCWCGWMLAXYDBM-LLVKDONJSA-N -1 3 322.821 3.514 20 0 DHADHM O=C1CCCCC[C@H]1Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480059 948392784 /nfs/dbraw/zinc/39/27/84/948392784.db2.gz QCWCGWMLAXYDBM-LLVKDONJSA-N -1 3 322.821 3.514 20 0 DHADHM c1cc(CCCSCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826515965 948442631 /nfs/dbraw/zinc/44/26/31/948442631.db2.gz RKRITMQQOKSXSR-UHFFFAOYSA-N -1 3 316.455 3.794 20 0 DHADHM c1cc(CCCSCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826515965 948442635 /nfs/dbraw/zinc/44/26/35/948442635.db2.gz RKRITMQQOKSXSR-UHFFFAOYSA-N -1 3 316.455 3.794 20 0 DHADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1 ZINC000043594133 948892577 /nfs/dbraw/zinc/89/25/77/948892577.db2.gz UUKIOOAPFKUZCI-MRXNPFEDSA-N -1 3 301.773 3.524 20 0 DHADHM C[C@]1(c2ccccc2)CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575858009 949280094 /nfs/dbraw/zinc/28/00/94/949280094.db2.gz YDFCLZRKZRKWSB-MJGOQNOKSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@]1(c2ccccc2)CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575858009 949280117 /nfs/dbraw/zinc/28/01/17/949280117.db2.gz YDFCLZRKZRKWSB-MJGOQNOKSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@@H]1CCC[C@@H](CCSc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001576154667 949354800 /nfs/dbraw/zinc/35/48/00/949354800.db2.gz QZHQYKVHAKNNJC-NEPJUHHUSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H]1CCC[C@@H](CCSc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001576154667 949354820 /nfs/dbraw/zinc/35/48/20/949354820.db2.gz QZHQYKVHAKNNJC-NEPJUHHUSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CCC[C@H](CCSc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001576154672 949356607 /nfs/dbraw/zinc/35/66/07/949356607.db2.gz QZHQYKVHAKNNJC-NWDGAFQWSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CCC[C@H](CCSc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001576154672 949356628 /nfs/dbraw/zinc/35/66/28/949356628.db2.gz QZHQYKVHAKNNJC-NWDGAFQWSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263380825 950423469 /nfs/dbraw/zinc/42/34/69/950423469.db2.gz BORCRAWRFJSBEV-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM CC(C)CCCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574193449 950948546 /nfs/dbraw/zinc/94/85/46/950948546.db2.gz RYGFIFCXALFNLV-UHFFFAOYSA-N -1 3 313.405 3.509 20 0 DHADHM CC(C)CCCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574193449 950948564 /nfs/dbraw/zinc/94/85/64/950948564.db2.gz RYGFIFCXALFNLV-UHFFFAOYSA-N -1 3 313.405 3.509 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1ccccc1OC(F)F ZINC000336852498 951131649 /nfs/dbraw/zinc/13/16/49/951131649.db2.gz RUIWGHKSHDDATB-CYBMUJFWSA-N -1 3 313.344 3.507 20 0 DHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CCc2cccc(Cl)c2Cl)C1 ZINC001589280475 953500776 /nfs/dbraw/zinc/50/07/76/953500776.db2.gz FQLLDOPAZWZIBL-ZYHUDNBSSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@@H]1CCN(CCc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC001589355543 954133103 /nfs/dbraw/zinc/13/31/03/954133103.db2.gz SJSPDEZJMITYPA-ZYHUDNBSSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779689 957986026 /nfs/dbraw/zinc/98/60/26/957986026.db2.gz QFMRNHZEJQVFCI-YMTOWFKASA-N -1 3 302.201 3.851 20 0 DHADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000226730154 959899169 /nfs/dbraw/zinc/89/91/69/959899169.db2.gz NGRCKTXXZDDPHH-UHFFFAOYSA-N -1 3 312.207 3.522 20 0 DHADHM CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000065268762 1013205586 /nfs/dbraw/zinc/20/55/86/1013205586.db2.gz CBIUQAVHZBQDAA-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM CCCC[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262702103 961814890 /nfs/dbraw/zinc/81/48/90/961814890.db2.gz KYBGRZGRFLNWOR-NSHDSACASA-N -1 3 310.444 3.605 20 0 DHADHM CCCC[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000262724010 961829250 /nfs/dbraw/zinc/82/92/50/961829250.db2.gz XPEYSCVVDDWLLA-AWEZNQCLSA-N -1 3 322.405 3.682 20 0 DHADHM CC(C)Oc1ccc(CN2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263561714 962730969 /nfs/dbraw/zinc/73/09/69/962730969.db2.gz CHSGEXKGEHSKRG-CQSZACIVSA-N -1 3 311.809 3.566 20 0 DHADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000520124841 1013659913 /nfs/dbraw/zinc/65/99/13/1013659913.db2.gz IMRZOLRZVBRBIK-SECBINFHSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1cc(C(=O)N(C)C)ccc1Nc1cccc(Cl)c1[O-] ZINC001210223132 1013707788 /nfs/dbraw/zinc/70/77/88/1013707788.db2.gz KTGVZQJFHMLSQB-UHFFFAOYSA-N -1 3 304.777 3.799 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2cc(OC)cs2)c1F ZINC000340431611 1013778387 /nfs/dbraw/zinc/77/83/87/1013778387.db2.gz UFVKLCXBDPNIDS-UHFFFAOYSA-N -1 3 313.325 3.686 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c([O-])c1 ZINC000188452158 1013786434 /nfs/dbraw/zinc/78/64/34/1013786434.db2.gz SUALVOOTLJMQQR-QGZVFWFLSA-N -1 3 324.424 3.671 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c([O-])c1 ZINC000188452132 1013786582 /nfs/dbraw/zinc/78/65/82/1013786582.db2.gz SUALVOOTLJMQQR-KRWDZBQOSA-N -1 3 324.424 3.671 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)OC2CCCCCC2)c1[O-] ZINC000520439399 1013811735 /nfs/dbraw/zinc/81/17/35/1013811735.db2.gz RPVVEQMLWXGOPB-ZDUSSCGKSA-N -1 3 319.401 3.661 20 0 DHADHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000330798765 1013840402 /nfs/dbraw/zinc/84/04/02/1013840402.db2.gz GSQKVBQSZLEFCR-XHDPSFHLSA-N -1 3 311.809 3.825 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000331196112 1013865643 /nfs/dbraw/zinc/86/56/43/1013865643.db2.gz LPYFMHNBLOYVAB-MRRJBJDNSA-N -1 3 323.408 3.521 20 0 DHADHM CCCOCc1ccccc1CNCc1ccc(C(=O)[O-])s1 ZINC000903676677 969583541 /nfs/dbraw/zinc/58/35/41/969583541.db2.gz CVCUKXKZVWLYQF-UHFFFAOYSA-N -1 3 319.426 3.663 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618187663 1013977845 /nfs/dbraw/zinc/97/78/45/1013977845.db2.gz JSMKANHOEKAISH-OAHLLOKOSA-N -1 3 305.393 3.503 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)C3CC3)nc(=O)c2c1C ZINC000748149534 1014036669 /nfs/dbraw/zinc/03/66/69/1014036669.db2.gz HNUHGBFBDZGGHW-BDAKNGLRSA-N -1 3 320.414 3.664 20 0 DHADHM Nc1c(F)c(F)c(Nc2cccc([O-])c2Cl)c(F)c1F ZINC001210854756 1014072712 /nfs/dbraw/zinc/07/27/12/1014072712.db2.gz LUVGOZIHOFJVCB-UHFFFAOYSA-N -1 3 306.646 3.928 20 0 DHADHM NC(=O)c1oc2ccccc2c1Nc1cccc([O-])c1Cl ZINC001210851556 1014071165 /nfs/dbraw/zinc/07/11/65/1014071165.db2.gz BZIGDRNZWIHKAV-UHFFFAOYSA-N -1 3 302.717 3.634 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@](F)(c3ccccc3)C2)c1F ZINC000517599852 1014073481 /nfs/dbraw/zinc/07/34/81/1014073481.db2.gz JBFBGAQMZATKNF-QGZVFWFLSA-N -1 3 307.315 3.741 20 0 DHADHM COc1ccc(F)cc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417590472 973963438 /nfs/dbraw/zinc/96/34/38/973963438.db2.gz BQTARCAGNOSQFJ-MRXNPFEDSA-N -1 3 317.360 3.530 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CSCc3ccccc32)s1 ZINC001606491244 973977561 /nfs/dbraw/zinc/97/75/61/973977561.db2.gz XTSPQTILSDXPOU-CYBMUJFWSA-N -1 3 305.424 3.524 20 0 DHADHM CCc1ccc(C(=O)N(Cc2cccs2)C2CC2)c([O-])c1 ZINC000189230380 1014161201 /nfs/dbraw/zinc/16/12/01/1014161201.db2.gz PBEXAVBLYLOIEB-UHFFFAOYSA-N -1 3 301.411 3.821 20 0 DHADHM COc1cc(C)ccc1Nc1ncc(Br)cc1[O-] ZINC001211115670 1014170335 /nfs/dbraw/zinc/17/03/35/1014170335.db2.gz HGTWXDABKGDXOW-UHFFFAOYSA-N -1 3 309.163 3.610 20 0 DHADHM C[C@H]1CC(C)(C)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000515491260 974299488 /nfs/dbraw/zinc/29/94/88/974299488.db2.gz ZKOYBCJZIZSEHV-LBPRGKRZSA-N -1 3 314.385 3.660 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000521626743 974346007 /nfs/dbraw/zinc/34/60/07/974346007.db2.gz XSCXSTHTKYHXHD-NEPJUHHUSA-N -1 3 322.455 3.605 20 0 DHADHM O=C([O-])c1ccccc1CN1CCSC[C@H]1c1ccccc1 ZINC000563279315 974524746 /nfs/dbraw/zinc/52/47/46/974524746.db2.gz ZOHGDVMCYUYCMS-KRWDZBQOSA-N -1 3 313.422 3.675 20 0 DHADHM O=C([O-])CC1(CN(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000564460971 974548436 /nfs/dbraw/zinc/54/84/36/974548436.db2.gz FJMUTNOLLQVDIJ-UHFFFAOYSA-N -1 3 323.383 3.964 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1ccccc1C(=O)[O-])CCC2 ZINC000568281292 974663842 /nfs/dbraw/zinc/66/38/42/974663842.db2.gz GABSMGLDOPMNRA-HNNXBMFYSA-N -1 3 316.426 3.659 20 0 DHADHM CC1(C)CN(Cc2ccsc2C(=O)[O-])CC[C@@H]1C(F)(F)F ZINC000573008867 974758345 /nfs/dbraw/zinc/75/83/45/974758345.db2.gz FEURKKZAJJHMMP-JTQLQIEISA-N -1 3 321.364 3.857 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(CC)CC ZINC000575809697 974801955 /nfs/dbraw/zinc/80/19/55/974801955.db2.gz DICPGIAJAXSKLS-HOTGVXAUSA-N -1 3 323.433 3.702 20 0 DHADHM CCOc1ccc([C@H]2CCCN2Cc2ccoc2C(=O)[O-])cc1 ZINC000577226789 974832157 /nfs/dbraw/zinc/83/21/57/974832157.db2.gz QTCJJKOTTVQTDW-MRXNPFEDSA-N -1 3 315.369 3.714 20 0 DHADHM O=C([O-])c1occc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625971176 975067150 /nfs/dbraw/zinc/06/71/50/975067150.db2.gz OAQNHKUQWQTRHB-GFCCVEGCSA-N -1 3 321.323 3.636 20 0 DHADHM C[C@@H]1CCC[C@@H](CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000652470370 975543261 /nfs/dbraw/zinc/54/32/61/975543261.db2.gz VJSJDOCXRDKRKV-VKJFTORMSA-N -1 3 301.430 3.887 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(c2ccco2)CC1 ZINC000656757132 975684899 /nfs/dbraw/zinc/68/48/99/975684899.db2.gz KDJLUFYIOMVAOV-UHFFFAOYSA-N -1 3 305.399 3.727 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000417559166 1014315452 /nfs/dbraw/zinc/31/54/52/1014315452.db2.gz HLYOFVZUZRAFQN-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM CC(C)c1[nH]c(CN[C@@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC001591918514 976385586 /nfs/dbraw/zinc/38/55/86/976385586.db2.gz UFDMITJIQLZEOG-MRXNPFEDSA-N -1 3 316.376 3.753 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1ccccc1CF)c1cccc(F)c1 ZINC001592327738 977741824 /nfs/dbraw/zinc/74/18/24/977741824.db2.gz DMHHZPFFKZNAOL-GOSISDBHSA-N -1 3 319.351 3.775 20 0 DHADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000565819157 1014446591 /nfs/dbraw/zinc/44/65/91/1014446591.db2.gz CDTBHTWXOCYAKD-UHFFFAOYSA-N -1 3 311.381 3.566 20 0 DHADHM O=C([O-])c1cc(CN(Cc2ccco2)C2CCCC2)cs1 ZINC000580955676 1014483912 /nfs/dbraw/zinc/48/39/12/1014483912.db2.gz MIOJECIQLDRZDW-UHFFFAOYSA-N -1 3 305.399 3.984 20 0 DHADHM C[C@H](CN(Cc1cc(Cl)cc(Cl)c1F)C1CC1)C(=O)[O-] ZINC001592598833 978532941 /nfs/dbraw/zinc/53/29/41/978532941.db2.gz LBJOJZYYHWLINZ-MRVPVSSYSA-N -1 3 320.191 3.818 20 0 DHADHM O=C(C[C@H]1C=CCCC1)Nc1cc(Br)ccc1[O-] ZINC000427665068 1014509857 /nfs/dbraw/zinc/50/98/57/1014509857.db2.gz LFFOEQUHLXOIHZ-JTQLQIEISA-N -1 3 310.191 3.840 20 0 DHADHM C[C@H](CNC(C)(C)c1nocc1C(=O)[O-])c1cccc(Cl)c1 ZINC001592705510 979169925 /nfs/dbraw/zinc/16/99/25/979169925.db2.gz GFVBUJXVKZGZCO-SNVBAGLBSA-N -1 3 322.792 3.655 20 0 DHADHM C[C@H](CNCc1ccc(/C=C\C(=O)[O-])o1)Sc1ccccc1 ZINC001592712498 979206693 /nfs/dbraw/zinc/20/66/93/979206693.db2.gz ONNMRTCRIFFPAP-ASCRHOAZSA-N -1 3 317.410 3.648 20 0 DHADHM C[C@@H](CNCc1ccc(/C=C/C(=O)[O-])o1)Sc1ccccc1 ZINC001592712499 979206985 /nfs/dbraw/zinc/20/69/85/979206985.db2.gz ONNMRTCRIFFPAP-LXKVQUBZSA-N -1 3 317.410 3.648 20 0 DHADHM CCc1nnc([N-]c2cn(CC(C)C)nc2C(F)F)nc1CC ZINC000428149010 1014584155 /nfs/dbraw/zinc/58/41/55/1014584155.db2.gz ZOJAURVANCOYRR-UHFFFAOYSA-N -1 3 324.379 3.530 20 0 DHADHM C[C@@H](Cc1ccsc1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001592906098 979841833 /nfs/dbraw/zinc/84/18/33/979841833.db2.gz KPYIFFJOBQNCCS-FJOGCWAESA-N -1 3 305.399 3.502 20 0 DHADHM C[C@@H](Cc1ccsc1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001592906100 979841956 /nfs/dbraw/zinc/84/19/56/979841956.db2.gz KPYIFFJOBQNCCS-FYJFLYSWSA-N -1 3 305.399 3.502 20 0 DHADHM CC[C@@H](N[C@H](CO)c1sccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595281561 980335935 /nfs/dbraw/zinc/33/59/35/980335935.db2.gz QRAUMUCAJXNQJE-HUUCEWRRSA-N -1 3 319.426 3.529 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CC[C@@H](C)c3ccccc3)n[n-]2)o1 ZINC000442272049 1014653828 /nfs/dbraw/zinc/65/38/28/1014653828.db2.gz SHZSSGKVUQAQHY-GFCCVEGCSA-N -1 3 324.384 3.896 20 0 DHADHM C[C@H](CCc1ccsc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908184 980621707 /nfs/dbraw/zinc/62/17/07/980621707.db2.gz QFHHIVDYNUNQGM-ZJUUUORDSA-N -1 3 310.444 3.575 20 0 DHADHM Cc1ccccc1C1CC(N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901913577 980624974 /nfs/dbraw/zinc/62/49/74/980624974.db2.gz ZCADDQBADJNHHA-HIFPTAJRSA-N -1 3 316.426 3.747 20 0 DHADHM CCOCC(C)(C)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902269316 980810042 /nfs/dbraw/zinc/81/00/42/980810042.db2.gz NXDJRRYSTDBBRS-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM Cc1oc(CN[C@@H](C)CSc2ccc(C)cc2)cc1C(=O)[O-] ZINC000902333291 980837329 /nfs/dbraw/zinc/83/73/29/980837329.db2.gz RAYBIKMJAKBWLJ-LBPRGKRZSA-N -1 3 319.426 3.865 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000902348612 980844018 /nfs/dbraw/zinc/84/40/18/980844018.db2.gz JTKCCKWINXFMNF-GOSISDBHSA-N -1 3 317.360 3.589 20 0 DHADHM O=C([O-])c1csc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000902371864 980859634 /nfs/dbraw/zinc/85/96/34/980859634.db2.gz DHNSUMZCRGODGQ-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM CC[C@H](C)[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000903594085 980978102 /nfs/dbraw/zinc/97/81/02/980978102.db2.gz CPJOSLYNNSSWOJ-LKFCYVNXSA-N -1 3 316.228 3.851 20 0 DHADHM CCc1ccc(C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC000903911741 981034200 /nfs/dbraw/zinc/03/42/00/981034200.db2.gz OCFCYPCLQTUNOP-UHFFFAOYSA-N -1 3 324.424 3.722 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1CCc1cccc(Cl)c1Cl ZINC000903939084 981058310 /nfs/dbraw/zinc/05/83/10/981058310.db2.gz MAPOVGOKGSEPRI-ZYHUDNBSSA-N -1 3 316.228 3.721 20 0 DHADHM O=C([O-])c1ccc(CN(CCc2ccccc2)C2CC2)c(F)c1 ZINC000903943445 981067467 /nfs/dbraw/zinc/06/74/67/981067467.db2.gz KXTMEIPICKMNPI-UHFFFAOYSA-N -1 3 313.372 3.731 20 0 DHADHM Cc1cccc(C2=CCN(Cc3ccoc3C(=O)[O-])CC2)c1C ZINC000903961788 981077770 /nfs/dbraw/zinc/07/77/70/981077770.db2.gz GCGBHAIMPQSHKY-UHFFFAOYSA-N -1 3 311.381 3.884 20 0 DHADHM C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726119 981124912 /nfs/dbraw/zinc/12/49/12/981124912.db2.gz HWPFNIZJVILNFY-UGSOOPFHSA-N -1 3 310.397 3.583 20 0 DHADHM O=C([O-])c1ccc(CN[C@H](CC2CCC2)c2ccccc2)nc1 ZINC000905727685 981126390 /nfs/dbraw/zinc/12/63/90/981126390.db2.gz LTWSEKJAPDDXPQ-GOSISDBHSA-N -1 3 310.397 3.801 20 0 DHADHM CCCCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC001595771085 982517555 /nfs/dbraw/zinc/51/75/55/982517555.db2.gz UHVLQNAIXZHNRT-HZPDHXFCSA-N -1 3 323.408 3.597 20 0 DHADHM Cc1cc(F)c(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c(F)c1 ZINC000656568005 1014869631 /nfs/dbraw/zinc/86/96/31/1014869631.db2.gz NHTBZDNIQJCWSZ-ABAIWWIYSA-N -1 3 311.372 3.642 20 0 DHADHM CCn1ccc(CN(C)Cc2cccc([O-])c2Br)c1 ZINC000656570599 1014881834 /nfs/dbraw/zinc/88/18/34/1014881834.db2.gz MZUXJGBCSMQOTI-UHFFFAOYSA-N -1 3 323.234 3.608 20 0 DHADHM [O-]c1cncc(/C=C/c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000341079071 1014892685 /nfs/dbraw/zinc/89/26/85/1014892685.db2.gz NYZIZVWNLYUMCO-AATRIKPKSA-N -1 3 319.320 3.678 20 0 DHADHM O=C([O-])[C@H](c1ccccc1Cl)N1CCCC(F)(F)CC1 ZINC001118895572 982964270 /nfs/dbraw/zinc/96/42/70/982964270.db2.gz VBUFJTPLJNNHBS-LBPRGKRZSA-N -1 3 303.736 3.587 20 0 DHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000665331966 1014927693 /nfs/dbraw/zinc/92/76/93/1014927693.db2.gz RJSDBFFSASUULK-MLGOLLRUSA-N -1 3 303.402 3.636 20 0 DHADHM CCN(C)c1ccccc1CN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001596197634 983582368 /nfs/dbraw/zinc/58/23/68/983582368.db2.gz MUTYWNIHYJOEDH-LBPRGKRZSA-N -1 3 318.442 3.753 20 0 DHADHM O=C([O-])CCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000665343473 1014972015 /nfs/dbraw/zinc/97/20/15/1014972015.db2.gz KFNCSNGVTFSWRC-UPHRSURJSA-N -1 3 309.356 3.555 20 0 DHADHM CCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc(C)cc1 ZINC001596359815 983835787 /nfs/dbraw/zinc/83/57/87/983835787.db2.gz NTMUZKVGGNDZTG-UHFFFAOYSA-N -1 3 312.413 3.921 20 0 DHADHM Cc1ccc(Br)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129611212 1015056583 /nfs/dbraw/zinc/05/65/83/1015056583.db2.gz CTPNXGULZYOVIK-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC[C@@H]3CC[C@H]4C[C@H]43)nc2)n1 ZINC000895427689 1015143690 /nfs/dbraw/zinc/14/36/90/1015143690.db2.gz DDRONCVRRHOCEK-XEZPLFJOSA-N -1 3 324.428 3.655 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2ccccc2[C@H](C)C1 ZINC001594499541 985667732 /nfs/dbraw/zinc/66/77/32/985667732.db2.gz NVAHEVNQBSTSPK-VXGBXAGGSA-N -1 3 316.426 3.564 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1C2CCCC1CCC2 ZINC000625844923 1015256350 /nfs/dbraw/zinc/25/63/50/1015256350.db2.gz MRRUNRBRKPLAQJ-UHFFFAOYSA-N -1 3 324.218 3.702 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2c3ccccc3CC[C@H]2F)c1F ZINC000895690506 1015258462 /nfs/dbraw/zinc/25/84/62/1015258462.db2.gz IFCYPZBYYOODTA-RHSMWYFYSA-N -1 3 307.315 3.786 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3CC=CC3)nc2)n1 ZINC000896096211 1015453562 /nfs/dbraw/zinc/45/35/62/1015453562.db2.gz XISWQOGKGDHBMS-UHFFFAOYSA-N -1 3 310.401 3.575 20 0 DHADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CCc2ccc(Cl)cc21 ZINC000650520785 1015474860 /nfs/dbraw/zinc/47/48/60/1015474860.db2.gz LOTLZZNLVXSNBM-LBPRGKRZSA-N -1 3 315.800 3.848 20 0 DHADHM O=c1cc(CSCC[C@H]2CCCO2)nc(-c2ccccc2)[n-]1 ZINC000581933897 1015567359 /nfs/dbraw/zinc/56/73/59/1015567359.db2.gz DIBVYECLWFRJHC-OAHLLOKOSA-N -1 3 316.426 3.652 20 0 DHADHM CC(C)(CN[C@@H](C(=O)[O-])c1ccccc1Cl)C(F)(F)F ZINC001590758634 990561859 /nfs/dbraw/zinc/56/18/59/990561859.db2.gz LXWXKAJEKBJCBE-SNVBAGLBSA-N -1 3 309.715 3.644 20 0 DHADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1Cl ZINC000581952986 1015583316 /nfs/dbraw/zinc/58/33/16/1015583316.db2.gz BFLMCQACTJAFBE-FZMZJTMJSA-N -1 3 311.809 3.970 20 0 DHADHM Cc1sc2[n-]c(COc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000041864271 1015623738 /nfs/dbraw/zinc/62/37/38/1015623738.db2.gz KTTHHDNQHZHXEE-UHFFFAOYSA-N -1 3 320.801 3.834 20 0 DHADHM CC[C@H](C)N(CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719509 1015687026 /nfs/dbraw/zinc/68/70/26/1015687026.db2.gz MDEWQQFYNIJXHA-JTQLQIEISA-N -1 3 314.223 3.768 20 0 DHADHM CC[C@@H](C)N(CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719500 1015687270 /nfs/dbraw/zinc/68/72/70/1015687270.db2.gz MDEWQQFYNIJXHA-SNVBAGLBSA-N -1 3 314.223 3.768 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598516186 992620243 /nfs/dbraw/zinc/62/02/43/992620243.db2.gz FRJXZVVENWGYKR-MNOVXSKESA-N -1 3 305.296 3.531 20 0 DHADHM CN(Cc1ccnc(Cl)c1Cl)C1(C(=O)[O-])CCCCC1 ZINC001598531499 992787172 /nfs/dbraw/zinc/78/71/72/992787172.db2.gz UIKXDWBSLJXSLJ-UHFFFAOYSA-N -1 3 317.216 3.608 20 0 DHADHM CN(Cc1ccsc1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598533097 992811122 /nfs/dbraw/zinc/81/11/22/992811122.db2.gz CZTHPTZWIVMYBQ-UHFFFAOYSA-N -1 3 312.394 3.627 20 0 DHADHM CN(Cc1ccsc1C(=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598533575 992819027 /nfs/dbraw/zinc/81/90/27/992819027.db2.gz JAGGHCMDDORIND-MNOVXSKESA-N -1 3 321.364 3.999 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC(F)(F)C1 ZINC000684563029 1015750335 /nfs/dbraw/zinc/75/03/35/1015750335.db2.gz GLIKXRKHXPBOQD-ZETCQYMHSA-N -1 3 320.133 3.529 20 0 DHADHM CC(C)C[C@H](CNCc1csc(C(C)(C)C)n1)CC(=O)[O-] ZINC000276925620 1015753642 /nfs/dbraw/zinc/75/36/42/1015753642.db2.gz ASOXMUTYQBOTPM-LBPRGKRZSA-N -1 3 312.479 3.667 20 0 DHADHM COc1c(F)c(F)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001211889553 1015802058 /nfs/dbraw/zinc/80/20/58/1015802058.db2.gz UBHIAURYQQPPJF-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM C[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593195316 994146814 /nfs/dbraw/zinc/14/68/14/994146814.db2.gz DELNWAZDKMMULD-RFHZTLPTSA-N -1 3 316.426 3.684 20 0 DHADHM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccnc(Cl)c1 ZINC001593203022 994184453 /nfs/dbraw/zinc/18/44/53/994184453.db2.gz CAWSHDHUZKOZRT-DOMZBBRYSA-N -1 3 318.804 3.992 20 0 DHADHM C[C@H](NCCSCc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593271337 994602963 /nfs/dbraw/zinc/60/29/63/994602963.db2.gz HNEGQSIPQXSTGF-NSHDSACASA-N -1 3 323.389 3.701 20 0 DHADHM C[C@]12CCN(C(=O)c3cc([O-])c4ccccc4c3)C[C@H]1C2(F)F ZINC000294157421 1015881739 /nfs/dbraw/zinc/88/17/39/1015881739.db2.gz VTIZUDXJLSYSOP-WBVHZDCISA-N -1 3 317.335 3.663 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(F)c2ccccc21 ZINC001593304108 994741911 /nfs/dbraw/zinc/74/19/11/994741911.db2.gz IGNJUIXRBPAPBL-LBPRGKRZSA-N -1 3 324.355 3.923 20 0 DHADHM COc1cccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599670629 994805223 /nfs/dbraw/zinc/80/52/23/994805223.db2.gz DEMSMGVROBGNEM-UHFFFAOYSA-N -1 3 319.788 3.679 20 0 DHADHM C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1cncc(C(=O)[O-])c1 ZINC001593353977 994986227 /nfs/dbraw/zinc/98/62/27/994986227.db2.gz HICJXQGHWCIZSN-APPDUMDISA-N -1 3 314.360 3.647 20 0 DHADHM Cc1c(NCc2c(F)ccc([O-])c2F)cnn1C1CCCC1 ZINC000294741436 1032137681 /nfs/dbraw/zinc/13/76/81/1032137681.db2.gz QTFPDSZJSHBRTR-UHFFFAOYSA-N -1 3 307.344 3.903 20 0 DHADHM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])sc2C)cc1F ZINC001599509817 997277627 /nfs/dbraw/zinc/27/76/27/997277627.db2.gz PWWNFTWFICJKNH-SECBINFHSA-N -1 3 323.389 3.753 20 0 DHADHM COc1ccc([C@H](NCc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC001599530817 997648621 /nfs/dbraw/zinc/64/86/21/997648621.db2.gz GSCFWSHOVQQHAH-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccsc1C(=O)[O-] ZINC001594174225 998668939 /nfs/dbraw/zinc/66/89/39/998668939.db2.gz RETWNQMSUYWFNL-SCZZXKLOSA-N -1 3 307.337 3.609 20 0 DHADHM Cc1ccc(-n2cc(NCc3cc([O-])cc(F)c3)cn2)c(C)c1 ZINC000342299583 1016243515 /nfs/dbraw/zinc/24/35/15/1016243515.db2.gz BTIMBISAHNKPFM-UHFFFAOYSA-N -1 3 311.360 3.946 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ncccc1Cl ZINC000342408286 1016356335 /nfs/dbraw/zinc/35/63/35/1016356335.db2.gz BPWWLMWICRVOPG-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(Cl)cccc2C1 ZINC000622385188 1016385620 /nfs/dbraw/zinc/38/56/20/1016385620.db2.gz GOLXKPOREUFZPI-UHFFFAOYSA-N -1 3 322.191 3.898 20 0 DHADHM CSc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000281251632 1016414733 /nfs/dbraw/zinc/41/47/33/1016414733.db2.gz DQJAZENTQZGXBD-NEPJUHHUSA-N -1 3 303.431 3.624 20 0 DHADHM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622511390 1016441918 /nfs/dbraw/zinc/44/19/18/1016441918.db2.gz ANROOHKINYAWJV-NSHDSACASA-N -1 3 303.324 3.976 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2ccc3c(n2)CCCC3)c([O-])c1 ZINC000622558520 1016465651 /nfs/dbraw/zinc/46/56/51/1016465651.db2.gz NNKJBPOOKLAXTC-UHFFFAOYSA-N -1 3 324.424 3.719 20 0 DHADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283310 1016501928 /nfs/dbraw/zinc/50/19/28/1016501928.db2.gz XUCUDMDTIVIRLE-HOTGVXAUSA-N -1 3 323.408 3.549 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000108985847 1016503445 /nfs/dbraw/zinc/50/34/45/1016503445.db2.gz SOGDRHDJVFPZCA-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CC(C)c1ccc(C(=O)NCC(C)(C)c2cccnc2)c([O-])c1 ZINC000622714502 1016531034 /nfs/dbraw/zinc/53/10/34/1016531034.db2.gz GVFGLJGKNYTVKG-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM CN(Cc1nc(=O)c2sccc2[n-]1)C(C)(C)c1ccccc1 ZINC000671247107 1016737392 /nfs/dbraw/zinc/73/73/92/1016737392.db2.gz ZXVYTDOUVRGJCV-UHFFFAOYSA-N -1 3 313.426 3.764 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)CC2)sc1Cl ZINC001211548670 1016914137 /nfs/dbraw/zinc/91/41/37/1016914137.db2.gz CQASOLMKEXQMOL-KOLCDFICSA-N -1 3 321.895 3.957 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC4(CC4)C3)nc2)n1 ZINC000897039718 1017014401 /nfs/dbraw/zinc/01/44/01/1017014401.db2.gz BNEUTPJEBOGEBF-HNNXBMFYSA-N -1 3 324.428 3.941 20 0 DHADHM Cc1ccnc(-c2ccc(NC(=O)c3c(C)cccc3[O-])cc2)n1 ZINC001146331450 1032213071 /nfs/dbraw/zinc/21/30/71/1032213071.db2.gz BNVYHDCHARKVOV-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC001147923596 1032350265 /nfs/dbraw/zinc/35/02/65/1032350265.db2.gz FOCFPYKEVXEDEE-GOSISDBHSA-N -1 3 310.397 3.621 20 0 DHADHM COc1cccc(C(=O)Nc2cncc(-c3ccccc3)c2)c1[O-] ZINC001148197383 1032369351 /nfs/dbraw/zinc/36/93/51/1032369351.db2.gz HUGOSLQBKJGXHO-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3nc(C)ccc32)c1[O-] ZINC001148203038 1032377244 /nfs/dbraw/zinc/37/72/44/1032377244.db2.gz XRTITZSNZPYSEH-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC1(C)C[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001299243399 1017257069 /nfs/dbraw/zinc/25/70/69/1017257069.db2.gz SZUNQQGHONVOPS-SFHVURJKSA-N -1 3 309.409 3.706 20 0 DHADHM CN(CCc1cccs1)C(=O)c1cc2sccc2c([O-])c1 ZINC001148462200 1032402765 /nfs/dbraw/zinc/40/27/65/1032402765.db2.gz PIMWUSGXYWAVTP-UHFFFAOYSA-N -1 3 317.435 3.983 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@H]2CCCC2(C)C)cc1[O-] ZINC001148522086 1032407161 /nfs/dbraw/zinc/40/71/61/1032407161.db2.gz BAFHPALQCNEUBL-CQSZACIVSA-N -1 3 303.402 3.541 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc3c(C)ccnc3c2)ccc1[O-] ZINC001148664885 1032431737 /nfs/dbraw/zinc/43/17/37/1032431737.db2.gz UDJXICLCSCGTIV-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC000121479853 1032446964 /nfs/dbraw/zinc/44/69/64/1032446964.db2.gz SIQWPLMTRCVTGM-INIZCTEOSA-N -1 3 303.402 3.586 20 0 DHADHM C[C@@H]1C[C@@H](C)CN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238306673 1017080635 /nfs/dbraw/zinc/08/06/35/1017080635.db2.gz ARQRENIANHURNB-NXEZZACHSA-N -1 3 316.214 3.772 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000666942230 1032536309 /nfs/dbraw/zinc/53/63/09/1032536309.db2.gz CKXAEBHZIVGBPR-HNNXBMFYSA-N -1 3 305.443 3.909 20 0 DHADHM O=C([O-])CC[C@H]1CCCCN1Cc1cc(-c2ccccc2)on1 ZINC000320670301 1012105708 /nfs/dbraw/zinc/10/57/08/1012105708.db2.gz SBKJSBGEYGFLLS-MRXNPFEDSA-N -1 3 314.385 3.561 20 0 DHADHM CC(C)(CNCc1c(Cl)cccc1OC(F)F)CC(=O)[O-] ZINC000683171938 1012237921 /nfs/dbraw/zinc/23/79/21/1012237921.db2.gz RVBGXMCBHRPBMO-UHFFFAOYSA-N -1 3 321.751 3.532 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000683176968 1012256297 /nfs/dbraw/zinc/25/62/97/1012256297.db2.gz ZQRHZYGBRHJHAX-UHFFFAOYSA-N -1 3 310.180 3.981 20 0 DHADHM CCc1cccc(C(=O)N[C@H](c2nc(C)cs2)C2CC2)c1[O-] ZINC000537663897 1032615895 /nfs/dbraw/zinc/61/58/95/1032615895.db2.gz TWMJIQAMDWVGNU-AWEZNQCLSA-N -1 3 316.426 3.601 20 0 DHADHM O=[S@](Cc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000108085854 1012380841 /nfs/dbraw/zinc/38/08/41/1012380841.db2.gz MQLXVDJBMZWYJU-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM O=[S@@](Cc1ccc(Br)s1)c1ccc([O-])cc1 ZINC000108087017 1012382156 /nfs/dbraw/zinc/38/21/56/1012382156.db2.gz BIBBXTBESYIDTN-MRXNPFEDSA-N -1 3 317.229 3.524 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3ccccc3Cl)no2)c1 ZINC000109037696 1012404838 /nfs/dbraw/zinc/40/48/38/1012404838.db2.gz MTYWXJCZHRKJIF-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000032098360 1012425118 /nfs/dbraw/zinc/42/51/18/1012425118.db2.gz RLEGFKCCMZRWMI-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM CC[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000514791262 1012438992 /nfs/dbraw/zinc/43/89/92/1012438992.db2.gz KQSLLKKYMZZXLG-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM O=c1[n-]nc(SCC2CCCC2)n1CCc1ccccc1 ZINC000515289718 1012598339 /nfs/dbraw/zinc/59/83/39/1012598339.db2.gz UEHNQEJCIZDYKT-UHFFFAOYSA-N -1 3 303.431 3.509 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000232746173 1012939810 /nfs/dbraw/zinc/93/98/10/1012939810.db2.gz SMLHHHGYDSRIBS-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(OC2CCCC2)c1 ZINC000154682700 1012944777 /nfs/dbraw/zinc/94/47/77/1012944777.db2.gz ZWMFQIPMPVUZST-MRXNPFEDSA-N -1 3 320.389 3.588 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(OC2CCCC2)c1 ZINC000154682700 1012944785 /nfs/dbraw/zinc/94/47/85/1012944785.db2.gz ZWMFQIPMPVUZST-MRXNPFEDSA-N -1 3 320.389 3.588 20 0 DHADHM CSc1cc(C)c(C(=O)[N-]c2nnc(CC(C)C)s2)o1 ZINC000666967423 1032678575 /nfs/dbraw/zinc/67/85/75/1032678575.db2.gz FBWZBZSMWQPJIG-UHFFFAOYSA-N -1 3 311.432 3.612 20 0 DHADHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1OCC#N ZINC000077166049 1013043485 /nfs/dbraw/zinc/04/34/85/1013043485.db2.gz ZDLZOTLKOUHUJB-ZZXKWVIFSA-N -1 3 323.348 3.508 20 0 DHADHM Cc1ccc(-c2nc([C@H]3CCOC4(CCCC4)C3)no2)c([O-])c1 ZINC000897187702 1017138205 /nfs/dbraw/zinc/13/82/05/1017138205.db2.gz XBLSDTUHAPQJMS-ZDUSSCGKSA-N -1 3 314.385 3.957 20 0 DHADHM CCS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277812203 1017216906 /nfs/dbraw/zinc/21/69/06/1017216906.db2.gz WJOZHRAUVBQXMI-PWSUYJOCSA-N -1 3 313.850 3.840 20 0 DHADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2ccon2)c1 ZINC000135588457 1017302330 /nfs/dbraw/zinc/30/23/30/1017302330.db2.gz OMVGSLOAXLWNAZ-UHFFFAOYSA-N -1 3 316.304 3.890 20 0 DHADHM [O-]c1c(F)cc(Nc2ncc(Br)cc2F)cc1F ZINC001213373702 1017632496 /nfs/dbraw/zinc/63/24/96/1017632496.db2.gz UKKWYPMAVJKAFW-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2cccc(F)c2)c1 ZINC000523322934 1017635655 /nfs/dbraw/zinc/63/56/55/1017635655.db2.gz YNHIXWMADDROLI-UHFFFAOYSA-N -1 3 301.361 3.756 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000624128364 1017701640 /nfs/dbraw/zinc/70/16/40/1017701640.db2.gz DKPBAOSOAMJMDP-INIZCTEOSA-N -1 3 310.397 3.853 20 0 DHADHM CCC(CC)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000134377772 1017797896 /nfs/dbraw/zinc/79/78/96/1017797896.db2.gz HCQUYLUHYRXVJH-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM COc1cnccc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000445629436 1017934975 /nfs/dbraw/zinc/93/49/75/1017934975.db2.gz QDICDHCATWRGLG-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM O=S(=O)([N-][C@H](CC1CCCC1)c1ccccc1)c1ccco1 ZINC000445712701 1017957259 /nfs/dbraw/zinc/95/72/59/1017957259.db2.gz VDSOZALIFISYAC-MRXNPFEDSA-N -1 3 319.426 3.880 20 0 DHADHM COCc1cc(C(=O)[N-]c2ccccc2SC(C)C)no1 ZINC000122589467 1018002329 /nfs/dbraw/zinc/00/23/29/1018002329.db2.gz RACZMNLAFLSWEM-UHFFFAOYSA-N -1 3 306.387 3.574 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2Cl)C(C)C)n1 ZINC000183693940 1018036486 /nfs/dbraw/zinc/03/64/86/1018036486.db2.gz NHGVEPJEQGEPOE-KRWDZBQOSA-N -1 3 319.836 3.885 20 0 DHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172626574 1018073815 /nfs/dbraw/zinc/07/38/15/1018073815.db2.gz POGSEHMPLXZHOA-NSHDSACASA-N -1 3 320.339 3.573 20 0 DHADHM CC(C)C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000524885480 1018124201 /nfs/dbraw/zinc/12/42/01/1018124201.db2.gz DILGGJMDSMAXJZ-MRXNPFEDSA-N -1 3 315.388 3.977 20 0 DHADHM FC(F)(F)c1cc(NCCOC2CCCCC2)nc(=S)[n-]1 ZINC001171478433 1032747611 /nfs/dbraw/zinc/74/76/11/1032747611.db2.gz YXJRHEFZOYUPEZ-UHFFFAOYSA-N -1 3 321.368 3.545 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc(F)c(F)c2C1 ZINC000343129346 1018220012 /nfs/dbraw/zinc/22/00/12/1018220012.db2.gz YQEGUDWHUMAVSM-UHFFFAOYSA-N -1 3 323.726 3.522 20 0 DHADHM Cc1ncc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000339438019 1018234067 /nfs/dbraw/zinc/23/40/67/1018234067.db2.gz PVIQDCFATFBRKR-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM COC[C@@H]1CCCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142106042 1018320674 /nfs/dbraw/zinc/32/06/74/1018320674.db2.gz XIZGMFMYHLGLRT-JTQLQIEISA-N -1 3 304.217 3.700 20 0 DHADHM CO/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000764625443 1018331947 /nfs/dbraw/zinc/33/19/47/1018331947.db2.gz LCNQGYJMLPDHQT-DHDCSXOGSA-N -1 3 303.745 3.672 20 0 DHADHM Cc1nc2c(s1)CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142118556 1018380992 /nfs/dbraw/zinc/38/09/92/1018380992.db2.gz QKEUNLXUILDSFJ-UHFFFAOYSA-N -1 3 315.225 3.980 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2cc3cc(Br)ccc3o2)S1 ZINC000874929708 1032764876 /nfs/dbraw/zinc/76/48/76/1032764876.db2.gz NFNWWFYOOSTEFF-BJMVGYQFSA-N -1 3 324.155 3.519 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3F)o2)S1 ZINC000874928492 1032764983 /nfs/dbraw/zinc/76/49/83/1032764983.db2.gz NYDUMOUKNOJJOW-IZZDOVSWSA-N -1 3 307.277 3.549 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2cc[nH]c2c1 ZINC000447643038 1018451629 /nfs/dbraw/zinc/45/16/29/1018451629.db2.gz JONRBULUFFNRNQ-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384328 1018456603 /nfs/dbraw/zinc/45/66/03/1018456603.db2.gz GNEORKGETVMDSH-UHFFFAOYSA-N -1 3 318.323 3.536 20 0 DHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1cccc2n[n-]nc21 ZINC000527105225 1018514246 /nfs/dbraw/zinc/51/42/46/1018514246.db2.gz DZUREIWBEHHHAA-QGZVFWFLSA-N -1 3 320.396 3.619 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(OC)c1 ZINC000471550925 1018863413 /nfs/dbraw/zinc/86/34/13/1018863413.db2.gz KQXYPJWIVDYXFF-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c([O-])c1 ZINC000315551041 1032790860 /nfs/dbraw/zinc/79/08/60/1032790860.db2.gz IISZIFORZHBRHV-ZDUSSCGKSA-N -1 3 305.418 3.689 20 0 DHADHM O=C(N[C@@H]1CCCc2occc21)c1cc([O-])c2ccccc2c1 ZINC000471716092 1018924673 /nfs/dbraw/zinc/92/46/73/1018924673.db2.gz UEXONKUPDSJRGF-MRXNPFEDSA-N -1 3 307.349 3.946 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(F)ccc1F ZINC000018702860 1018938184 /nfs/dbraw/zinc/93/81/84/1018938184.db2.gz DQQKSJDKOAVYGZ-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc4c(c3)CCO4)no2)c([O-])c1 ZINC000685269331 1018971425 /nfs/dbraw/zinc/97/14/25/1018971425.db2.gz ZKFJNGQCGBLIBB-UHFFFAOYSA-N -1 3 322.364 3.530 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007381955 1019026239 /nfs/dbraw/zinc/02/62/39/1019026239.db2.gz WFOKEPWHBVVJKS-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCCCCc1nnc(NC(=O)[N-]OCc2ccccc2)s1 ZINC000076027344 1019079008 /nfs/dbraw/zinc/07/90/08/1019079008.db2.gz FLYPXBDPDNJQEW-UHFFFAOYSA-N -1 3 320.418 3.524 20 0 DHADHM O=C(NC[C@H]1CCCCS1)c1cc([O-])c2ccccc2c1 ZINC000355588198 1019123326 /nfs/dbraw/zinc/12/33/26/1019123326.db2.gz RJIZPEGZUUADLO-CQSZACIVSA-N -1 3 301.411 3.561 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000711653166 1019167821 /nfs/dbraw/zinc/16/78/21/1019167821.db2.gz IITQUQMLHAAEBK-HIFRSBDPSA-N -1 3 314.212 3.823 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000356159242 1019178175 /nfs/dbraw/zinc/17/81/75/1019178175.db2.gz BGZJVIKQCXHEMS-NSHDSACASA-N -1 3 323.314 3.960 20 0 DHADHM CCOC(=O)C1=C(Nc2ccc3c(c2)[N-]C(=S)C3)CCCC1 ZINC001168564393 1019191882 /nfs/dbraw/zinc/19/18/82/1019191882.db2.gz NYAYJPSNCFNGNL-UHFFFAOYSA-N -1 3 316.426 3.785 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Cl)ccc1Cl ZINC000073973466 1019314917 /nfs/dbraw/zinc/31/49/17/1019314917.db2.gz UCVVIAGESDEWIE-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM Cc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000075472673 1019321419 /nfs/dbraw/zinc/32/14/19/1019321419.db2.gz XULQONQLHSBMAW-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM O=C([O-])[C@@H]1CN(CC/C=C\c2ccccc2)Cc2ccccc21 ZINC000323708546 1019345120 /nfs/dbraw/zinc/34/51/20/1019345120.db2.gz MEBMZMRTTQKSSA-FUKWUPMWSA-N -1 3 307.393 3.774 20 0 DHADHM C[C@]1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCS1 ZINC000472324839 1019371553 /nfs/dbraw/zinc/37/15/53/1019371553.db2.gz WUMSWQTWJWMZBF-QGZVFWFLSA-N -1 3 301.411 3.561 20 0 DHADHM [O-]c1cccc(Nc2cc(F)cc(F)c2O)c1Br ZINC001212490903 1019495868 /nfs/dbraw/zinc/49/58/68/1019495868.db2.gz AKGLVNNACCQNSC-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000163784098 1019608329 /nfs/dbraw/zinc/60/83/29/1019608329.db2.gz VLLMLYNRNCGKSR-GFCCVEGCSA-N -1 3 313.781 3.846 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C ZINC000096659584 1019617440 /nfs/dbraw/zinc/61/74/40/1019617440.db2.gz UECNNZCKHDFXIL-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C(NCCC[C@@H]1CCCCO1)c1cc([O-])c2ccccc2c1 ZINC000279392292 1019654277 /nfs/dbraw/zinc/65/42/77/1019654277.db2.gz ACKFPZGVKXDHFO-INIZCTEOSA-N -1 3 313.397 3.625 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)sc1C ZINC000165260806 1019654827 /nfs/dbraw/zinc/65/48/27/1019654827.db2.gz YIVRTVLXRVFYHB-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccc(F)cc21 ZINC000060472627 1019699430 /nfs/dbraw/zinc/69/94/30/1019699430.db2.gz RIPBAOBSTFNWNE-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CCc1noc(CC)c1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000280463335 1019718305 /nfs/dbraw/zinc/71/83/05/1019718305.db2.gz SOYHKHVDYPRZFC-UHFFFAOYSA-N -1 3 324.380 3.588 20 0 DHADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280469009 1019721131 /nfs/dbraw/zinc/72/11/31/1019721131.db2.gz TWTGUAIXLULTNY-LLVKDONJSA-N -1 3 324.380 3.511 20 0 DHADHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526927618 1019739805 /nfs/dbraw/zinc/73/98/05/1019739805.db2.gz GJUQSFADOBASHX-APWZRJJASA-N -1 3 317.388 3.906 20 0 DHADHM Cc1cccc(OCCNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527165890 1019745177 /nfs/dbraw/zinc/74/51/77/1019745177.db2.gz MEDUJUGAMISDHL-UHFFFAOYSA-N -1 3 321.376 3.663 20 0 DHADHM O=C(NCc1ccc(F)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000527456988 1019752749 /nfs/dbraw/zinc/75/27/49/1019752749.db2.gz AGNVNUNTWPPTDK-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM Cc1nc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000063702580 1019820596 /nfs/dbraw/zinc/82/05/96/1019820596.db2.gz BSNAOYLQIJETBQ-UHFFFAOYSA-N -1 3 304.415 3.553 20 0 DHADHM O=c1[n-]c(Oc2ccccc2OC(F)F)nc2ccccc21 ZINC000729987411 1019935298 /nfs/dbraw/zinc/93/52/98/1019935298.db2.gz YOFLWDWGHRPWLT-UHFFFAOYSA-N -1 3 304.252 3.729 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(C(F)F)cc1)c1cccs1 ZINC000131342226 1019948919 /nfs/dbraw/zinc/94/89/19/1019948919.db2.gz INMPDOLJSSXEPR-GFCCVEGCSA-N -1 3 311.353 3.991 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000117568744 1019982964 /nfs/dbraw/zinc/98/29/64/1019982964.db2.gz KMFIJTRUOMKSPS-UHFFFAOYSA-N -1 3 319.361 3.874 20 0 DHADHM CC(C)Cc1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cs1 ZINC000068072005 1020011374 /nfs/dbraw/zinc/01/13/74/1020011374.db2.gz SYQVOLBLXBGVGX-UHFFFAOYSA-N -1 3 324.475 3.743 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2csc(C(C)(C)C)n2)n1 ZINC000068071724 1020012141 /nfs/dbraw/zinc/01/21/41/1020012141.db2.gz WWCDDRGNEITVLM-UHFFFAOYSA-N -1 3 324.475 3.842 20 0 DHADHM CC[C@@](C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000730791112 1020028227 /nfs/dbraw/zinc/02/82/27/1020028227.db2.gz RJSUNRCZTMOWAD-HXUWFJFHSA-N -1 3 320.392 3.583 20 0 DHADHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cc([O-])ccc1Cl ZINC000685675768 1020042790 /nfs/dbraw/zinc/04/27/90/1020042790.db2.gz BZLJMWIYZXSBRK-UHFFFAOYSA-N -1 3 319.763 3.994 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CCc2ccccc2F)c([O-])c1 ZINC000731837164 1020157378 /nfs/dbraw/zinc/15/73/78/1020157378.db2.gz JSJLJHXPZLKTIK-UHFFFAOYSA-N -1 3 315.388 3.969 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000624490782 1020210898 /nfs/dbraw/zinc/21/08/98/1020210898.db2.gz UKAQVMFWZMUULM-INIZCTEOSA-N -1 3 313.372 3.687 20 0 DHADHM CC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(C)cc1 ZINC000732257221 1020217831 /nfs/dbraw/zinc/21/78/31/1020217831.db2.gz GTAIUCUIXRFDLT-HNNXBMFYSA-N -1 3 321.380 3.525 20 0 DHADHM [O-]c1coc2cc(OCCOc3ccc4ccccc4c3)ccc12 ZINC000642608567 1020255953 /nfs/dbraw/zinc/25/59/53/1020255953.db2.gz HSHXNQIKSYDRDT-UHFFFAOYSA-N -1 3 320.344 3.873 20 0 DHADHM CC(C)(CCCc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000732956634 1020307638 /nfs/dbraw/zinc/30/76/38/1020307638.db2.gz JWXZWVNAPMJAFS-MRXNPFEDSA-N -1 3 305.418 3.610 20 0 DHADHM CCOCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000125849167 1020355219 /nfs/dbraw/zinc/35/52/19/1020355219.db2.gz LHWBKXRRUJLYKX-UHFFFAOYSA-N -1 3 313.423 3.940 20 0 DHADHM O=C(Nc1cccc2c1OCCO2)c1cc([O-])c2ccccc2c1 ZINC000352921512 1020359935 /nfs/dbraw/zinc/35/99/35/1020359935.db2.gz KHDZCRFOBXBTLG-UHFFFAOYSA-N -1 3 321.332 3.569 20 0 DHADHM [O-]c1ccc(CNCc2ccn(-c3ccccc3)n2)cc1Cl ZINC000733326076 1020372737 /nfs/dbraw/zinc/37/27/37/1020372737.db2.gz HUJYGWGAQJZNQH-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM O=C(OCCCCCn1cccn1)c1cc(Cl)c(Cl)[n-]1 ZINC000733429143 1020387528 /nfs/dbraw/zinc/38/75/28/1020387528.db2.gz AVQUGILCONWIJZ-UHFFFAOYSA-N -1 3 316.188 3.545 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(Cl)ccc1F ZINC000673699083 1020449232 /nfs/dbraw/zinc/44/92/32/1020449232.db2.gz IEFDQWZPTGIMTJ-UHFFFAOYSA-N -1 3 304.655 3.965 20 0 DHADHM CC(C)c1ccc(-c2nc([C@H](C)c3cnccn3)no2)c([O-])c1 ZINC000624739852 1020502768 /nfs/dbraw/zinc/50/27/68/1020502768.db2.gz QFMHAHVFEGRFPV-LLVKDONJSA-N -1 3 310.357 3.507 20 0 DHADHM CCN(Cc1ccccc1F)C(=O)c1cc([O-])ccc1Cl ZINC001117736030 1020560391 /nfs/dbraw/zinc/56/03/91/1020560391.db2.gz WSHYHBMWWVTEKX-UHFFFAOYSA-N -1 3 307.752 3.847 20 0 DHADHM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132873648 1020578082 /nfs/dbraw/zinc/57/80/82/1020578082.db2.gz NYAMDRGVKXJWAA-INIZCTEOSA-N -1 3 319.401 3.718 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000133203159 1020604738 /nfs/dbraw/zinc/60/47/38/1020604738.db2.gz SBMUFBQTUMVGBK-UHFFFAOYSA-N -1 3 318.735 3.596 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCC3CC3)nc(=O)c2c1C ZINC000734610867 1020632918 /nfs/dbraw/zinc/63/29/18/1020632918.db2.gz QMDZPEJLGBCPKZ-VIFPVBQESA-N -1 3 320.414 3.808 20 0 DHADHM CCCCN(CCCC)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735295830 1020715101 /nfs/dbraw/zinc/71/51/01/1020715101.db2.gz AKCXZZCLMPKWOW-UHFFFAOYSA-N -1 3 319.478 3.862 20 0 DHADHM CC(C)CN(C(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000735655266 1020758644 /nfs/dbraw/zinc/75/86/44/1020758644.db2.gz CYNKDISIUSFQIO-UHFFFAOYSA-N -1 3 321.380 3.638 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187235013 1021177507 /nfs/dbraw/zinc/17/75/07/1021177507.db2.gz VUCVLEPUEDEGLD-NSHDSACASA-N -1 3 320.352 3.504 20 0 DHADHM O=C(CCCc1ccc2ccccc2c1)[N-]OCc1cccnc1 ZINC000181477139 1021194562 /nfs/dbraw/zinc/19/45/62/1021194562.db2.gz XNIGMUVRQAPOSK-UHFFFAOYSA-N -1 3 320.392 3.806 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)c3ccc(F)cc3)cc(=O)oc12 ZINC000917161583 1021206473 /nfs/dbraw/zinc/20/64/73/1021206473.db2.gz ZLNHWCRIOZFNNZ-UHFFFAOYSA-N -1 3 313.328 3.583 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cnc(-c2ccsc2)s1 ZINC000128373320 1021237718 /nfs/dbraw/zinc/23/77/18/1021237718.db2.gz PLYZNYZVGOBKCK-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM Cc1cc(C)cc(OCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128777687 1021346847 /nfs/dbraw/zinc/34/68/47/1021346847.db2.gz PVPAODJSWDPSIM-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000917716478 1021348353 /nfs/dbraw/zinc/34/83/53/1021348353.db2.gz APXFEDXQMKPJHX-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM O=C(CCCCC(=O)c1ccccc1)Nc1cccc([O-])c1F ZINC000129148147 1021440718 /nfs/dbraw/zinc/44/07/18/1021440718.db2.gz UJNMQHMLZDROLS-UHFFFAOYSA-N -1 3 315.344 3.913 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129510516 1021500386 /nfs/dbraw/zinc/50/03/86/1021500386.db2.gz LJPNNLHPXBLWKX-BDAKNGLRSA-N -1 3 305.271 3.839 20 0 DHADHM COc1cccc([C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000744327397 1021511663 /nfs/dbraw/zinc/51/16/63/1021511663.db2.gz MHKFHBSMVNVVFR-NSHDSACASA-N -1 3 312.325 3.596 20 0 DHADHM COc1cccc([C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000744327397 1021511672 /nfs/dbraw/zinc/51/16/72/1021511672.db2.gz MHKFHBSMVNVVFR-NSHDSACASA-N -1 3 312.325 3.596 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CC[C@@H]1CCc3ccccc31)C2 ZINC000659790731 1021526019 /nfs/dbraw/zinc/52/60/19/1021526019.db2.gz LIGXQVYRMMBXAP-HNNXBMFYSA-N -1 3 307.393 3.821 20 0 DHADHM Cc1ccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)nc1 ZINC000659793102 1021526511 /nfs/dbraw/zinc/52/65/11/1021526511.db2.gz JGEOHGFEGXDOLG-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM O=C(OCCOC1CCCCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000918520978 1021557463 /nfs/dbraw/zinc/55/74/63/1021557463.db2.gz JESNRGCHEOIUOR-UHFFFAOYSA-N -1 3 306.189 3.828 20 0 DHADHM Cc1cc(OC(F)F)c(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129748154 1021569488 /nfs/dbraw/zinc/56/94/88/1021569488.db2.gz RVKXODDSVPNJDE-UHFFFAOYSA-N -1 3 317.288 3.755 20 0 DHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc([O-])c1F ZINC000129760413 1021571678 /nfs/dbraw/zinc/57/16/78/1021571678.db2.gz VCZPBCIEUQWWNK-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM CC(C)SCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085474 1021594581 /nfs/dbraw/zinc/59/45/81/1021594581.db2.gz HIHZXEQIPQTIMY-UHFFFAOYSA-N -1 3 314.357 3.799 20 0 DHADHM C=CCOc1ccccc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000023987265 1021654318 /nfs/dbraw/zinc/65/43/18/1021654318.db2.gz WBCYMXBTVNGGIG-CSKARUKUSA-N -1 3 310.349 3.862 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2cnc(OCC3CC3)nc2)c1F ZINC001214557439 1021708831 /nfs/dbraw/zinc/70/88/31/1021708831.db2.gz AABFCWKTQAHGTO-UHFFFAOYSA-N -1 3 309.728 3.507 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2ncccc2N2CCCC2)c1F ZINC001214557507 1021716939 /nfs/dbraw/zinc/71/69/39/1021716939.db2.gz APLKOFSDCAEBDZ-UHFFFAOYSA-N -1 3 307.756 3.924 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619356434 1021735535 /nfs/dbraw/zinc/73/55/35/1021735535.db2.gz CHWMFLGNXKKGDH-ZIAGYGMSSA-N -1 3 309.365 3.667 20 0 DHADHM CCC(C)(C)CCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745650674 1021753373 /nfs/dbraw/zinc/75/33/73/1021753373.db2.gz KCMXALUUTNALTD-UHFFFAOYSA-N -1 3 309.362 3.554 20 0 DHADHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)CC2CCCCC2)[n-]1 ZINC000619449735 1021766112 /nfs/dbraw/zinc/76/61/12/1021766112.db2.gz SURDOISDNMMYMI-CYBMUJFWSA-N -1 3 321.421 3.522 20 0 DHADHM CCOC(=O)c1nc(NC(=O)[C@H](CC)CC2CCCCC2)c[n-]1 ZINC000619449735 1021766127 /nfs/dbraw/zinc/76/61/27/1021766127.db2.gz SURDOISDNMMYMI-CYBMUJFWSA-N -1 3 321.421 3.522 20 0 DHADHM Cn1cc(Nc2ncc(Br)cc2[O-])c2ccccc21 ZINC001203414261 1021833212 /nfs/dbraw/zinc/83/32/12/1021833212.db2.gz HUGOFCCPVYICJA-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCc2cccs2)c1[O-] ZINC000556893040 1021926949 /nfs/dbraw/zinc/92/69/49/1021926949.db2.gz PSWITLHIAXXTEK-UHFFFAOYSA-N -1 3 303.383 3.618 20 0 DHADHM CCC(CC)CCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000620200426 1022070373 /nfs/dbraw/zinc/07/03/73/1022070373.db2.gz YDIRGRRSGSFGHH-UHFFFAOYSA-N -1 3 314.429 3.817 20 0 DHADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc2ccccc2nc1Cl ZINC000852740138 1022170051 /nfs/dbraw/zinc/17/00/51/1022170051.db2.gz OEZLDCKFVKLCQQ-UHFFFAOYSA-N -1 3 320.820 3.821 20 0 DHADHM O=C([N-][C@@H]1CCc2cc(F)ccc21)C(F)(F)c1ccc(F)cc1 ZINC000920846061 1022184081 /nfs/dbraw/zinc/18/40/81/1022184081.db2.gz XYOFXSDYPJSSDP-OAHLLOKOSA-N -1 3 323.289 3.860 20 0 DHADHM CCC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153696409 1022243314 /nfs/dbraw/zinc/24/33/14/1022243314.db2.gz QYZULERABYLNPQ-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(C)n1 ZINC000350452078 1022294757 /nfs/dbraw/zinc/29/47/57/1022294757.db2.gz BYPJJXWVPBGKCV-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1c([O-])ccc2c(CSCC(=O)C(C)(C)C)cc(=O)oc12 ZINC000175158567 1022302094 /nfs/dbraw/zinc/30/20/94/1022302094.db2.gz XHFVCAZAXYMOOO-UHFFFAOYSA-N -1 3 320.410 3.655 20 0 DHADHM Cc1ccc(-c2cnnc([N-][C@@H](C3CCC3)C(F)(F)F)n2)cc1 ZINC001169282296 1022334683 /nfs/dbraw/zinc/33/46/83/1022334683.db2.gz SAMLTDGXSMSCSF-AWEZNQCLSA-N -1 3 322.334 3.990 20 0 DHADHM O=c1[nH]cc(Br)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589315 1022359014 /nfs/dbraw/zinc/35/90/14/1022359014.db2.gz FRAQNTMUDLRPBB-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM O=c1cc(Nc2ccc(Cl)c([O-])c2)[nH]n1-c1ccccc1 ZINC001212590268 1022407734 /nfs/dbraw/zinc/40/77/34/1022407734.db2.gz DIUCZJGTGIJOFC-UHFFFAOYSA-N -1 3 301.733 3.681 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(CC2CCOCC2)n1 ZINC001212591429 1022451889 /nfs/dbraw/zinc/45/18/89/1022451889.db2.gz MLEUAFYMRHGPIO-UHFFFAOYSA-N -1 3 321.808 3.721 20 0 DHADHM [O-]c1cc(Nc2ccccc2N2CCOCC2)ccc1Cl ZINC001212591450 1022452081 /nfs/dbraw/zinc/45/20/81/1022452081.db2.gz NEPFCRRGERKZHX-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM [O-]c1cc(Nc2cccc(CN3CCOCC3)c2)ccc1Cl ZINC001212592596 1022491521 /nfs/dbraw/zinc/49/15/21/1022491521.db2.gz XRMJEZXYBDQGPG-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM CCc1cc(Br)ccc1NCc1ncccc1[O-] ZINC001169731982 1022526676 /nfs/dbraw/zinc/52/66/76/1022526676.db2.gz VKHGAXVBKNBGKS-UHFFFAOYSA-N -1 3 307.191 3.724 20 0 DHADHM O=C1c2ccc(Nc3ccc(Cl)c([O-])c3)cc2CN1C1CC1 ZINC001212595314 1022549385 /nfs/dbraw/zinc/54/93/85/1022549385.db2.gz NOUZFBOLKBIIPS-UHFFFAOYSA-N -1 3 314.772 3.907 20 0 DHADHM CC(F)(F)c1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417030381 1022566874 /nfs/dbraw/zinc/56/68/74/1022566874.db2.gz FUIGUYFKVAGJGW-UHFFFAOYSA-N -1 3 305.328 3.783 20 0 DHADHM CC12CC(C1)CN2C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000621215732 1022635708 /nfs/dbraw/zinc/63/57/08/1022635708.db2.gz PXKHCAAMQRHIKA-UHFFFAOYSA-N -1 3 309.365 3.809 20 0 DHADHM C[C@@]1(CCNC(=O)c2cc3sccc3c([O-])c2)CC1(F)F ZINC000855805551 1022699909 /nfs/dbraw/zinc/69/99/09/1022699909.db2.gz BXBIGVAJLQDYMA-CQSZACIVSA-N -1 3 311.353 3.772 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](CCF)C1 ZINC000855830310 1022706409 /nfs/dbraw/zinc/70/64/09/1022706409.db2.gz ZXJZSHUSHPAEAD-CYBMUJFWSA-N -1 3 301.361 3.757 20 0 DHADHM C[C@@H](N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000621482456 1022774870 /nfs/dbraw/zinc/77/48/70/1022774870.db2.gz UEKJTBVGQAJATH-SECBINFHSA-N -1 3 303.324 3.918 20 0 DHADHM CCCc1csc([N-]C(=O)c2c(C)noc2C(F)(F)F)n1 ZINC000768015209 1022865664 /nfs/dbraw/zinc/86/56/64/1022865664.db2.gz DFDFNNMBTNRZEO-UHFFFAOYSA-N -1 3 319.308 3.663 20 0 DHADHM Cc1ccccc1N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000623047785 1022867318 /nfs/dbraw/zinc/86/73/18/1022867318.db2.gz UROPVQZUBSYUQJ-UHFFFAOYSA-N -1 3 311.381 3.691 20 0 DHADHM CC1(C)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621867036 1022911573 /nfs/dbraw/zinc/91/15/73/1022911573.db2.gz RVCSRWFCCIIDEB-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc2c(c1)OCO2 ZINC000190735756 1022929781 /nfs/dbraw/zinc/92/97/81/1022929781.db2.gz SQRJBWSUJRQEKD-VIFPVBQESA-N -1 3 323.751 3.764 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CC(C)(C)C)nc(=O)c2c1C ZINC000011481847 1022958714 /nfs/dbraw/zinc/95/87/14/1022958714.db2.gz POXBSWKVNCDWIN-VIFPVBQESA-N -1 3 322.430 3.642 20 0 DHADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000084732799 1022960518 /nfs/dbraw/zinc/96/05/18/1022960518.db2.gz SKLSOOREFJKWJZ-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)[N-]OCC(F)F ZINC000768445102 1022968591 /nfs/dbraw/zinc/96/85/91/1022968591.db2.gz CDEXLRJKULEBCF-FNORWQNLSA-N -1 3 310.127 3.710 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NC(C1CCCC1)C1CCCC1 ZINC000857452908 1023011409 /nfs/dbraw/zinc/01/14/09/1023011409.db2.gz NTQUAOPLQVTEKP-UHFFFAOYSA-N -1 3 319.420 3.939 20 0 DHADHM Cc1cc(OCCCC(=O)[N-]OC2CCCC2)ccc1Cl ZINC000857480762 1023019228 /nfs/dbraw/zinc/01/92/28/1023019228.db2.gz OLZKYMDMWJQFML-UHFFFAOYSA-N -1 3 311.809 3.798 20 0 DHADHM CCCOc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000622305288 1023099511 /nfs/dbraw/zinc/09/95/11/1023099511.db2.gz HJWIIWJJEVETBH-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC000622349358 1023122603 /nfs/dbraw/zinc/12/26/03/1023122603.db2.gz WXNPPBZNPZXWPX-UHFFFAOYSA-N -1 3 313.372 3.670 20 0 DHADHM Cc1ccc(CCCCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162756175 1023200681 /nfs/dbraw/zinc/20/06/81/1023200681.db2.gz WJJZSTLPLFUBTE-UHFFFAOYSA-N -1 3 303.324 3.708 20 0 DHADHM CC(C)(O)C1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000651554042 1023317415 /nfs/dbraw/zinc/31/74/15/1023317415.db2.gz RLWPDGONBKXKGT-UHFFFAOYSA-N -1 3 311.809 3.561 20 0 DHADHM O=C(OCCSC(F)(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000770947124 1023373139 /nfs/dbraw/zinc/37/31/39/1023373139.db2.gz XBZYUKPJCVLTBQ-UHFFFAOYSA-N -1 3 308.108 3.731 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3ccccc3s2)n1 ZINC000660750759 1023394777 /nfs/dbraw/zinc/39/47/77/1023394777.db2.gz DUBNRKVIXMJUTO-UHFFFAOYSA-N -1 3 313.426 3.730 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc(Cl)c1 ZINC000007403687 1023418998 /nfs/dbraw/zinc/41/89/98/1023418998.db2.gz PLMNFCSJEOQORI-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC(F)(F)CC1 ZINC000628633073 1023517525 /nfs/dbraw/zinc/51/75/25/1023517525.db2.gz IOLMXQJOIDCNMM-UHFFFAOYSA-N -1 3 315.335 3.502 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000661435363 1023601322 /nfs/dbraw/zinc/60/13/22/1023601322.db2.gz FVHULUUMDYZZAW-BBRMVZONSA-N -1 3 313.401 3.762 20 0 DHADHM Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc3occc3[n-]2)cc1C ZINC000786030778 1023652952 /nfs/dbraw/zinc/65/29/52/1023652952.db2.gz BZCGVRMKYINPFK-LBPRGKRZSA-N -1 3 311.337 3.806 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000786030679 1023653266 /nfs/dbraw/zinc/65/32/66/1023653266.db2.gz VTDFBJJZWDRNTH-VIFPVBQESA-N -1 3 317.728 3.843 20 0 DHADHM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cc2occc2[n-]1 ZINC000786030900 1023653971 /nfs/dbraw/zinc/65/39/71/1023653971.db2.gz HYTNIUQVUPDMGX-OAHLLOKOSA-N -1 3 309.321 3.506 20 0 DHADHM Cc1cc(-n2ccnc2)ccc1COC(=O)c1cc2occc2[n-]1 ZINC000786031461 1023654140 /nfs/dbraw/zinc/65/41/40/1023654140.db2.gz BICAMAJPICLOTH-UHFFFAOYSA-N -1 3 321.336 3.612 20 0 DHADHM COc1ccc(Cl)cc1COC(=O)c1cc2occc2[n-]1 ZINC000786032014 1023654174 /nfs/dbraw/zinc/65/41/74/1023654174.db2.gz XCYRNZRNMLHDAP-UHFFFAOYSA-N -1 3 305.717 3.780 20 0 DHADHM C[C@@H](CCOC(=O)c1cc2occc2[n-]1)OCc1ccccc1 ZINC000786032519 1023654281 /nfs/dbraw/zinc/65/42/81/1023654281.db2.gz IXLUWFGDUBRWFA-ZDUSSCGKSA-N -1 3 313.353 3.913 20 0 DHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000786880118 1023738276 /nfs/dbraw/zinc/73/82/76/1023738276.db2.gz LNJQJCUMHSIAGF-UHFFFAOYSA-N -1 3 324.833 3.968 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OC/C(Cl)=C\Cl ZINC000787842001 1023825701 /nfs/dbraw/zinc/82/57/01/1023825701.db2.gz DJQPZFRTKPTFMX-JXMROGBWSA-N -1 3 307.148 3.716 20 0 DHADHM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)cc1 ZINC000652376511 1023828267 /nfs/dbraw/zinc/82/82/67/1023828267.db2.gz QRHJBMCOECJMPB-INIZCTEOSA-N -1 3 315.369 3.632 20 0 DHADHM O=C(CC1CCC(c2ccccc2)CC1)[N-]OC1CCOCC1 ZINC000772714142 1023852426 /nfs/dbraw/zinc/85/24/26/1023852426.db2.gz MTFAZYMHGNKGSG-UHFFFAOYSA-N -1 3 317.429 3.577 20 0 DHADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000049524892 1023855471 /nfs/dbraw/zinc/85/54/71/1023855471.db2.gz YJSCDBALJBCMAY-MWLCHTKSSA-N -1 3 322.257 3.850 20 0 DHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000788206000 1023861784 /nfs/dbraw/zinc/86/17/84/1023861784.db2.gz SKAQGJYLZNILGN-UHFFFAOYSA-N -1 3 324.833 3.968 20 0 DHADHM CC(C)n1nccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000788277664 1023869899 /nfs/dbraw/zinc/86/98/99/1023869899.db2.gz KJYRHJCADHVIHD-UHFFFAOYSA-N -1 3 301.371 3.637 20 0 DHADHM O=C(Nc1ccc(Cl)nc1)c1cc2sccc2c([O-])c1 ZINC000788277620 1023870315 /nfs/dbraw/zinc/87/03/15/1023870315.db2.gz IVFNQLZNBYRSGQ-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N(Cc1ccncc1)C1CC1 ZINC000788289358 1023870966 /nfs/dbraw/zinc/87/09/66/1023870966.db2.gz IMJYQYYZKUSKSU-UHFFFAOYSA-N -1 3 324.405 3.807 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2nn(C)c3ccccc23)CC)n1 ZINC000663230587 1023947494 /nfs/dbraw/zinc/94/74/94/1023947494.db2.gz WMASVSQHFHONSC-QBFSEMIESA-N -1 3 322.412 3.972 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC000538774908 1033177285 /nfs/dbraw/zinc/17/72/85/1033177285.db2.gz YMTMXQPORHRALF-CYBMUJFWSA-N -1 3 311.381 3.691 20 0 DHADHM Fc1ncc(Br)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243081465 1024067461 /nfs/dbraw/zinc/06/74/61/1024067461.db2.gz JAPRIWWABUVEIQ-UHFFFAOYSA-N -1 3 323.190 3.946 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000268314338 1024100570 /nfs/dbraw/zinc/10/05/70/1024100570.db2.gz RCAJTSOTNNSFKN-UHFFFAOYSA-N -1 3 319.445 3.935 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000452844478 1024216256 /nfs/dbraw/zinc/21/62/56/1024216256.db2.gz FBZCLNFMBUIXHI-GASCZTMLSA-N -1 3 305.393 3.503 20 0 DHADHM CC(C)c1ncc(C(=O)[N-]c2nc(C(C)(C)C)ns2)s1 ZINC000269404517 1024274027 /nfs/dbraw/zinc/27/40/27/1024274027.db2.gz AOWOMEFDWCFCHC-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCC(C)(C)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000790598755 1024333108 /nfs/dbraw/zinc/33/31/08/1024333108.db2.gz PAAZHEXPYRVDAM-HNNXBMFYSA-N -1 3 306.406 3.954 20 0 DHADHM CCC(C)(C)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000790598755 1024333121 /nfs/dbraw/zinc/33/31/21/1024333121.db2.gz PAAZHEXPYRVDAM-HNNXBMFYSA-N -1 3 306.406 3.954 20 0 DHADHM O=c1ccnc(C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)[n-]1 ZINC000131770232 1024430794 /nfs/dbraw/zinc/43/07/94/1024430794.db2.gz RYVRJNBNXFIWHQ-OWOJBTEDSA-N -1 3 321.163 3.566 20 0 DHADHM CCCn1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C1CC1 ZINC000270852527 1024434051 /nfs/dbraw/zinc/43/40/51/1024434051.db2.gz KCFSOCUZNHMJNN-UHFFFAOYSA-N -1 3 319.792 3.782 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000102997503 1024550601 /nfs/dbraw/zinc/55/06/01/1024550601.db2.gz ABKIFMJDJOLIGJ-UHFFFAOYSA-N -1 3 315.320 3.505 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCc2cccnc2)n1 ZINC000339115271 1024567696 /nfs/dbraw/zinc/56/76/96/1024567696.db2.gz NIUQWNKSFLSMCP-HJWRWDBZSA-N -1 3 319.364 3.635 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCc2cccnc2)n1 ZINC000339115269 1024568547 /nfs/dbraw/zinc/56/85/47/1024568547.db2.gz NIUQWNKSFLSMCP-CMDGGOBGSA-N -1 3 319.364 3.635 20 0 DHADHM O=C(NCCSC(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000792058784 1024620253 /nfs/dbraw/zinc/62/02/53/1024620253.db2.gz AWRRESDFOAOHHC-UHFFFAOYSA-N -1 3 315.316 3.528 20 0 DHADHM O=C(Nc1n[nH]c2ccccc21)c1cc([O-])c2ccccc2c1 ZINC000792046486 1024623968 /nfs/dbraw/zinc/62/39/68/1024623968.db2.gz KSIWQTUMVZBZMW-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM CCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000792208188 1024638254 /nfs/dbraw/zinc/63/82/54/1024638254.db2.gz RMIZBJUQMIXQNP-UHFFFAOYSA-N -1 3 308.337 3.591 20 0 DHADHM CON(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792307006 1024658981 /nfs/dbraw/zinc/65/89/81/1024658981.db2.gz LXBTVEPSRNAPDF-UHFFFAOYSA-N -1 3 307.349 3.749 20 0 DHADHM CCC(C)(C)C1CCC(NC(=O)NCc2ncccc2[O-])CC1 ZINC000349219372 1024689795 /nfs/dbraw/zinc/68/97/95/1024689795.db2.gz VQLRWPKNWKXCGR-UHFFFAOYSA-N -1 3 319.449 3.581 20 0 DHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000263066161 1024726256 /nfs/dbraw/zinc/72/62/56/1024726256.db2.gz OAMZFCNYOZIJRS-ZIAGYGMSSA-N -1 3 315.369 3.615 20 0 DHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCc1cccnc1 ZINC000792604738 1024730979 /nfs/dbraw/zinc/73/09/79/1024730979.db2.gz NURRKIBUDXOHJH-GOEBONIOSA-N -1 3 310.397 3.619 20 0 DHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCc1cccnc1 ZINC000792604741 1024731630 /nfs/dbraw/zinc/73/16/30/1024731630.db2.gz NURRKIBUDXOHJH-HOCLYGCPSA-N -1 3 310.397 3.619 20 0 DHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OCCC(F)(F)F ZINC000792606543 1024734515 /nfs/dbraw/zinc/73/45/15/1024734515.db2.gz IMNTUUJURYBGIZ-VXGBXAGGSA-N -1 3 315.335 3.976 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000349916002 1024766977 /nfs/dbraw/zinc/76/69/77/1024766977.db2.gz PLDPRVWYKAWJIO-WBMJQRKESA-N -1 3 312.413 3.977 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C ZINC000032587828 1024895959 /nfs/dbraw/zinc/89/59/59/1024895959.db2.gz PSCSBTYSLCCGLL-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCCN(CCC)Cc1ccc(C(=O)[O-])cc1Br ZINC000226718761 1024915378 /nfs/dbraw/zinc/91/53/78/1024915378.db2.gz SHTNSQNXUQYALY-UHFFFAOYSA-N -1 3 314.223 3.769 20 0 DHADHM COc1cccc(Cl)c1CNCc1c(F)ccc([O-])c1F ZINC000353175214 1024973843 /nfs/dbraw/zinc/97/38/43/1024973843.db2.gz XVHYEPVXAXLRNR-UHFFFAOYSA-N -1 3 313.731 3.622 20 0 DHADHM CCCOCc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000263438529 1024995430 /nfs/dbraw/zinc/99/54/30/1024995430.db2.gz CYEZLVBNXMNYHR-UHFFFAOYSA-N -1 3 313.397 3.601 20 0 DHADHM CC1(C)CN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C1CC1 ZINC000793416094 1025026329 /nfs/dbraw/zinc/02/63/29/1025026329.db2.gz PTRHPNQZNTZUIW-HNNXBMFYSA-N -1 3 301.411 3.868 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])cc1C=O ZINC000793736417 1025159035 /nfs/dbraw/zinc/15/90/35/1025159035.db2.gz QOKAWYOVNNILGQ-UHFFFAOYSA-N -1 3 303.745 3.727 20 0 DHADHM CC(C)CCCCC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884547819 1025163905 /nfs/dbraw/zinc/16/39/05/1025163905.db2.gz WCLJKWUIEGCDNH-UHFFFAOYSA-N -1 3 318.373 3.702 20 0 DHADHM Cc1cc(=O)[n-]c(CSC[C@@H](OC(C)C)c2ccccc2)n1 ZINC000793949655 1025195020 /nfs/dbraw/zinc/19/50/20/1025195020.db2.gz DNOUPXOMVFYCTA-OAHLLOKOSA-N -1 3 318.442 3.890 20 0 DHADHM CSCCO[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000794189179 1025234989 /nfs/dbraw/zinc/23/49/89/1025234989.db2.gz XIHKLIQNHQITGP-UHFFFAOYSA-N -1 3 311.491 3.784 20 0 DHADHM CCc1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000112228086 1025238052 /nfs/dbraw/zinc/23/80/52/1025238052.db2.gz CZLPEJNQXUUDCY-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM CC[C@@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719554 1025253248 /nfs/dbraw/zinc/25/32/48/1025253248.db2.gz XYGNXUKZTIJSKL-SNVBAGLBSA-N -1 3 314.223 3.625 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584002 1025254217 /nfs/dbraw/zinc/25/42/17/1025254217.db2.gz DQALROWSFQCJEL-NGZCFLSTSA-N -1 3 302.201 3.849 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436957965 1025256361 /nfs/dbraw/zinc/25/63/61/1025256361.db2.gz YVFDEQWLEJLFBG-QGZVFWFLSA-N -1 3 311.381 3.768 20 0 DHADHM Cc1cccc(C[C@]2(C)CCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000877204681 1033271165 /nfs/dbraw/zinc/27/11/65/1033271165.db2.gz LSHCERWJYPBDBI-FQEVSTJZSA-N -1 3 324.424 3.520 20 0 DHADHM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccccc1[O-] ZINC000885258581 1025301551 /nfs/dbraw/zinc/30/15/51/1025301551.db2.gz GXBAEWDKHJMASP-QGZVFWFLSA-N -1 3 301.411 3.691 20 0 DHADHM O=C(OCc1cnc(Cl)s1)c1cc(Cl)c(Cl)[n-]1 ZINC000760484896 1025417158 /nfs/dbraw/zinc/41/71/58/1025417158.db2.gz WPUSKFILOHOLLT-UHFFFAOYSA-N -1 3 311.577 3.788 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)o1 ZINC000539109285 1033283747 /nfs/dbraw/zinc/28/37/47/1033283747.db2.gz YBTCWPDPOGEOMW-UHFFFAOYSA-N -1 3 319.426 3.593 20 0 DHADHM CCC(CC)CCCN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001168260211 1025488271 /nfs/dbraw/zinc/48/82/71/1025488271.db2.gz MCVMOKNPZPJTOB-UHFFFAOYSA-N -1 3 305.418 3.883 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000126078623 1025502471 /nfs/dbraw/zinc/50/24/71/1025502471.db2.gz PODOPWTZQNMWGZ-AWEZNQCLSA-N -1 3 324.405 3.979 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3C[C@@H]3c3ccccc3)n[n-]2)o1 ZINC000354906569 1025544267 /nfs/dbraw/zinc/54/42/67/1025544267.db2.gz DOAVQKYIZBDQLG-UONOGXRCSA-N -1 3 322.368 3.505 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000354986935 1025568730 /nfs/dbraw/zinc/56/87/30/1025568730.db2.gz YRAHUDWUGPQGLH-AWEZNQCLSA-N -1 3 323.820 3.609 20 0 DHADHM O=c1nc(CN2CCC[C@@H]3CCCC[C@@H]32)[n-]c2ccsc21 ZINC000067132614 1025636243 /nfs/dbraw/zinc/63/62/43/1025636243.db2.gz BRBPLIDFHANVBT-AAEUAGOBSA-N -1 3 303.431 3.552 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2c(Cl)nc3cc(Cl)ccn32)n1 ZINC000806572134 1025928757 /nfs/dbraw/zinc/92/87/57/1025928757.db2.gz ANCGOAYPSCFNJH-NSCUHMNNSA-N -1 3 321.167 3.616 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2c(Cl)nc3cc(Cl)ccn32)n1 ZINC000806572130 1025929230 /nfs/dbraw/zinc/92/92/30/1025929230.db2.gz ANCGOAYPSCFNJH-IHWYPQMZSA-N -1 3 321.167 3.616 20 0 DHADHM O=C(NCc1ccc(Cl)s1)c1cc([O-])ccc1Cl ZINC000236617138 1025980249 /nfs/dbraw/zinc/98/02/49/1025980249.db2.gz WLFQOBYWEDGIJW-UHFFFAOYSA-N -1 3 302.182 3.691 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000614244580 1025985131 /nfs/dbraw/zinc/98/51/31/1025985131.db2.gz KZLDFRJKJMIYOF-GZMMTYOYSA-N -1 3 319.348 3.527 20 0 DHADHM Cc1cc(=O)[n-]c(CSC2CCC(C(F)(F)F)CC2)n1 ZINC000829930677 1026037983 /nfs/dbraw/zinc/03/79/83/1026037983.db2.gz ALJIEMYPQOTTMO-UHFFFAOYSA-N -1 3 306.353 3.845 20 0 DHADHM O=c1cc(CSCc2cccc(F)c2F)nc(C2CC2)[n-]1 ZINC000419350304 1026207988 /nfs/dbraw/zinc/20/79/88/1026207988.db2.gz FOMFGCDQOKPGLD-UHFFFAOYSA-N -1 3 308.353 3.771 20 0 DHADHM O=C([N-]c1ccnc(Cl)c1F)c1ncoc1-c1ccccc1 ZINC001275518868 1026294256 /nfs/dbraw/zinc/29/42/56/1026294256.db2.gz TZIKPRIYZQJORO-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM Cc1cc([O-])c(I)c(O[C@H](C)C(C)C)c1 ZINC001225510025 1026466476 /nfs/dbraw/zinc/46/64/76/1026466476.db2.gz CBAHGGVOFXPTRJ-SECBINFHSA-N -1 3 320.170 3.729 20 0 DHADHM O=C(NCC1CC(c2ccccc2)C1)c1cc([O-])ccc1Cl ZINC000513452128 1026512152 /nfs/dbraw/zinc/51/21/52/1026512152.db2.gz WKMNCQYEWIAHFJ-UHFFFAOYSA-N -1 3 315.800 3.969 20 0 DHADHM COc1ccnc(F)c1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244465607 1026617566 /nfs/dbraw/zinc/61/75/66/1026617566.db2.gz ABDWQDSBWZZVBX-UHFFFAOYSA-N -1 3 303.211 3.501 20 0 DHADHM CC(C)CNC(=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000280651287 1026681029 /nfs/dbraw/zinc/68/10/29/1026681029.db2.gz JZAUYRZYQMRXJC-UHFFFAOYSA-N -1 3 316.376 3.529 20 0 DHADHM O=C(OC[C@H]1CCSC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810630912 1026811943 /nfs/dbraw/zinc/81/19/43/1026811943.db2.gz NFQOHFKKACYTHR-SSDOTTSWSA-N -1 3 301.820 3.793 20 0 DHADHM O=C(OC[C@@H]1CCSC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810630914 1026812658 /nfs/dbraw/zinc/81/26/58/1026812658.db2.gz NFQOHFKKACYTHR-ZETCQYMHSA-N -1 3 301.820 3.793 20 0 DHADHM COCc1nocc1C(=O)[N-]c1cc(Cl)cc(Cl)c1F ZINC001132587973 1026921599 /nfs/dbraw/zinc/92/15/99/1026921599.db2.gz BIJAKOUEBJURHO-UHFFFAOYSA-N -1 3 319.119 3.519 20 0 DHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CCCC1 ZINC000811394825 1026992102 /nfs/dbraw/zinc/99/21/02/1026992102.db2.gz KCFQULZBZVKFAQ-UHFFFAOYSA-N -1 3 311.790 3.799 20 0 DHADHM CC(C)Oc1cc(O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000811457278 1027005713 /nfs/dbraw/zinc/00/57/13/1027005713.db2.gz IEIHLQQSZSGXMC-UHFFFAOYSA-N -1 3 321.760 3.791 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421888930 1027079534 /nfs/dbraw/zinc/07/95/34/1027079534.db2.gz JXMROQCRTMNOQJ-YMTOWFKASA-N -1 3 310.191 3.592 20 0 DHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccccc1F ZINC000362243815 1027111758 /nfs/dbraw/zinc/11/17/58/1027111758.db2.gz FLQANWVYOSJPFW-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccccc1F ZINC000362243815 1027111762 /nfs/dbraw/zinc/11/17/62/1027111762.db2.gz FLQANWVYOSJPFW-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM S=c1ccc(N[C@@H](Cc2ccccc2)c2nccs2)n[n-]1 ZINC001170659405 1027172402 /nfs/dbraw/zinc/17/24/02/1027172402.db2.gz QMVARJBZYFKIQK-LBPRGKRZSA-N -1 3 314.439 3.618 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(C(C)C)s2)c(F)c1 ZINC000271987518 1027197562 /nfs/dbraw/zinc/19/75/62/1027197562.db2.gz GOMKYNIPPDHFRQ-UHFFFAOYSA-N -1 3 324.352 4.000 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OC/C=C\Cl ZINC000812407577 1027283955 /nfs/dbraw/zinc/28/39/55/1027283955.db2.gz NSXDPJFYQPNCQG-WCIBSUBMSA-N -1 3 305.761 3.680 20 0 DHADHM Cc1cnc(OC(C)C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000295580386 1027344408 /nfs/dbraw/zinc/34/44/08/1027344408.db2.gz ABHQTVFYERJOLW-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)[N-]OC1CCC1 ZINC000812790394 1027406485 /nfs/dbraw/zinc/40/64/85/1027406485.db2.gz PVIAFDYPTPLQHJ-UHFFFAOYSA-N -1 3 320.776 3.528 20 0 DHADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)[N-]OC1CCC1 ZINC000812791626 1027408304 /nfs/dbraw/zinc/40/83/04/1027408304.db2.gz YDGKLUGKZHMOOK-UHFFFAOYSA-N -1 3 322.213 3.618 20 0 DHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OC1CCC1 ZINC000812793484 1027420565 /nfs/dbraw/zinc/42/05/65/1027420565.db2.gz WAHINQLGBDMWJB-UHFFFAOYSA-N -1 3 304.415 3.609 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN(Cc1ccco1)C1CCCC1 ZINC000575412972 1027482752 /nfs/dbraw/zinc/48/27/52/1027482752.db2.gz QZNGKLUAFRCTKQ-UHFFFAOYSA-N -1 3 303.358 3.824 20 0 DHADHM O=c1cc(CNc2ccc3c4c(cccc42)CC3)nc(C2CC2)[n-]1 ZINC000576091835 1027561787 /nfs/dbraw/zinc/56/17/87/1027561787.db2.gz XGLIOJOREXDVBL-UHFFFAOYSA-N -1 3 317.392 3.924 20 0 DHADHM COC(=O)c1ccc(OC)c(-c2ccc([O-])cc2Cl)c1F ZINC001245080790 1027733429 /nfs/dbraw/zinc/73/34/29/1027733429.db2.gz YMBUJTWCJNGSDY-UHFFFAOYSA-N -1 3 310.708 3.647 20 0 DHADHM C[C@@H](C1CC1)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000527907675 1027964052 /nfs/dbraw/zinc/96/40/52/1027964052.db2.gz BTJBTYVUMNXEPZ-VIFPVBQESA-N -1 3 324.218 3.558 20 0 DHADHM CC(C)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448665395 1027964193 /nfs/dbraw/zinc/96/41/93/1027964193.db2.gz QGLRGEMTQVBUCX-UHFFFAOYSA-N -1 3 301.361 3.514 20 0 DHADHM CC[C@H](C)CN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563279218 1027978807 /nfs/dbraw/zinc/97/88/07/1027978807.db2.gz QHQUAGDFYCRMBN-LBPRGKRZSA-N -1 3 302.374 3.518 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc2c(o1)c(F)ccc2C ZINC000935076447 1028194636 /nfs/dbraw/zinc/19/46/36/1028194636.db2.gz GISXSHRHJWRSRW-UHFFFAOYSA-N -1 3 302.305 3.991 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000578634838 1028201608 /nfs/dbraw/zinc/20/16/08/1028201608.db2.gz LASJCUSYOCSXEW-WDEREUQCSA-N -1 3 321.323 3.807 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2C)c([O-])c1 ZINC000578803908 1028245989 /nfs/dbraw/zinc/24/59/89/1028245989.db2.gz BQJIKEPGDNVHCP-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](C)c1ccccc1 ZINC000578926173 1028276804 /nfs/dbraw/zinc/27/68/04/1028276804.db2.gz YHTVOUKUZXDKMD-NWDGAFQWSA-N -1 3 303.789 3.968 20 0 DHADHM Cc1ccc(F)c(CN(C)CCc2ccccc2C(=O)[O-])c1 ZINC000389542319 1028282501 /nfs/dbraw/zinc/28/25/01/1028282501.db2.gz GRPKRZYJYXLKRN-UHFFFAOYSA-N -1 3 301.361 3.507 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CC2(CCC2)C1 ZINC000579114850 1028326792 /nfs/dbraw/zinc/32/67/92/1028326792.db2.gz XEZOHVJJYXZRFX-UHFFFAOYSA-N -1 3 324.218 3.982 20 0 DHADHM CCN(C)c1ccccc1CNCc1cccc([O-])c1Cl ZINC000815124094 1028369337 /nfs/dbraw/zinc/36/93/37/1028369337.db2.gz NRGSGDJDHVTYFR-UHFFFAOYSA-N -1 3 304.821 3.792 20 0 DHADHM Cc1nc2c(s1)[C@@H](NCc1cccc([O-])c1Cl)CCC2 ZINC000815135060 1028393520 /nfs/dbraw/zinc/39/35/20/1028393520.db2.gz ONZOMLSEQDQDTH-NSHDSACASA-N -1 3 308.834 3.978 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@H]3C3CCC3)nc2)n1 ZINC000564878627 1028513652 /nfs/dbraw/zinc/51/36/52/1028513652.db2.gz FIBQZVNSCMRWAX-HOCLYGCPSA-N -1 3 324.428 3.655 20 0 DHADHM CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c([O-])c1 ZINC000565455973 1028589956 /nfs/dbraw/zinc/58/99/56/1028589956.db2.gz WDRKTKRVVPBLJW-UHFFFAOYSA-N -1 3 319.744 3.589 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3C=CCCC3)c2)n1 ZINC000370437609 1028603426 /nfs/dbraw/zinc/60/34/26/1028603426.db2.gz YGHNLURKNBMQAQ-CQSZACIVSA-N -1 3 323.396 3.843 20 0 DHADHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc([O-])ccc1Cl ZINC000815751794 1028614398 /nfs/dbraw/zinc/61/43/98/1028614398.db2.gz OMKHYCGDCUSMCL-LLVKDONJSA-N -1 3 317.772 3.782 20 0 DHADHM CC(C)N(C(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000528637669 1028628809 /nfs/dbraw/zinc/62/88/09/1028628809.db2.gz DZXJIAHDHOCULK-UHFFFAOYSA-N -1 3 312.207 3.558 20 0 DHADHM COC(=O)c1cc(C(=O)O[C@H]2C[C@@H](C)c3c2cccc3C)c[n-]1 ZINC000816001587 1028678584 /nfs/dbraw/zinc/67/85/84/1028678584.db2.gz WOZQJZMKGDPEKG-ABAIWWIYSA-N -1 3 313.353 3.515 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN(C)CCOc1ccccc1C ZINC000566359214 1028709837 /nfs/dbraw/zinc/70/98/37/1028709837.db2.gz SULJSWGZVSOULH-UHFFFAOYSA-N -1 3 319.426 3.574 20 0 DHADHM COC(=O)c1cc(C(=O)Oc2ccc(C3CC3)cc2Cl)c[n-]1 ZINC000816217735 1028773475 /nfs/dbraw/zinc/77/34/75/1028773475.db2.gz MYQSDAKVLSZJDM-UHFFFAOYSA-N -1 3 319.744 3.551 20 0 DHADHM CC[C@@H](C)CN(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000528776239 1028796886 /nfs/dbraw/zinc/79/68/86/1028796886.db2.gz TYCJFNLEOSAGTL-SNVBAGLBSA-N -1 3 314.223 3.663 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000627789788 1028818043 /nfs/dbraw/zinc/81/80/43/1028818043.db2.gz PSKASEVJHPNBNJ-LLVKDONJSA-N -1 3 301.308 3.505 20 0 DHADHM O=S(=O)([N-]c1cccc(Cl)c1)C1=Cc2ccccc2OC1 ZINC000190182204 1028832125 /nfs/dbraw/zinc/83/21/25/1028832125.db2.gz MGMNWDXYAXSFFD-UHFFFAOYSA-N -1 3 321.785 3.515 20 0 DHADHM Cc1ccc(-c2noc([N-][C@@H](CCO)c3cccs3)n2)cc1 ZINC000778575036 1028853501 /nfs/dbraw/zinc/85/35/01/1028853501.db2.gz NECDDXRHMIAVNG-ZDUSSCGKSA-N -1 3 315.398 3.642 20 0 DHADHM CCOCCN(CCC1=CCCCC1)Cc1ccc(C(=O)[O-])o1 ZINC000567479333 1028903537 /nfs/dbraw/zinc/90/35/37/1028903537.db2.gz WWWDGFOBVRKCGU-UHFFFAOYSA-N -1 3 321.417 3.707 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(n1)CCCC2 ZINC000567914639 1028972984 /nfs/dbraw/zinc/97/29/84/1028972984.db2.gz ZWRAYXOUDXTCFG-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCCCCC1 ZINC000816814396 1029018849 /nfs/dbraw/zinc/01/88/49/1029018849.db2.gz PMQYACSCFAYDGB-UHFFFAOYSA-N -1 3 301.308 3.817 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000568750920 1029120252 /nfs/dbraw/zinc/12/02/52/1029120252.db2.gz PEUQZOWBMLDTCC-SCZZXKLOSA-N -1 3 316.170 3.622 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[O-] ZINC001135880865 1029127335 /nfs/dbraw/zinc/12/73/35/1029127335.db2.gz DIIYTOXQRWKVFM-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000450007648 1029140990 /nfs/dbraw/zinc/14/09/90/1029140990.db2.gz ZYCRWEJVAIVGFP-SWLSCSKDSA-N -1 3 317.360 3.667 20 0 DHADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)[N-]OCC1CC1 ZINC000817362316 1029142265 /nfs/dbraw/zinc/14/22/65/1029142265.db2.gz KQAMQLNHTLSNBC-IBGZPJMESA-N -1 3 309.409 3.861 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@H](C)c2ccccc2)cc1[O-] ZINC000411821296 1029218371 /nfs/dbraw/zinc/21/83/71/1029218371.db2.gz QPOLGZFJAKHMCB-ZDUSSCGKSA-N -1 3 311.381 3.518 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450207600 1029257967 /nfs/dbraw/zinc/25/79/67/1029257967.db2.gz GCFFTYOYBKIJBE-PXAZEXFGSA-N -1 3 313.372 3.829 20 0 DHADHM Nc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)c([O-])c1 ZINC000817933356 1029277925 /nfs/dbraw/zinc/27/79/25/1029277925.db2.gz BHQOPQZJOUHTRA-UHFFFAOYSA-N -1 3 324.424 3.602 20 0 DHADHM CCCCN(C(=O)c1ccc(N)cc1[O-])[C@@H](C)c1ccccc1 ZINC000817948479 1029290150 /nfs/dbraw/zinc/29/01/50/1029290150.db2.gz AKBLWVIVUQMQNX-AWEZNQCLSA-N -1 3 312.413 3.978 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)c2ccc(N)cc2[O-])c2ccccc21 ZINC000818000262 1029305438 /nfs/dbraw/zinc/30/54/38/1029305438.db2.gz LXNBAGDGMNKWJY-HNNXBMFYSA-N -1 3 310.397 3.765 20 0 DHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412217530 1029365677 /nfs/dbraw/zinc/36/56/77/1029365677.db2.gz XXWMDBLCJCGOOP-LRDDRELGSA-N -1 3 303.402 3.636 20 0 DHADHM Cc1cscc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000120911666 1029446614 /nfs/dbraw/zinc/44/66/14/1029446614.db2.gz UVDSAGLYLSKKIW-UHFFFAOYSA-N -1 3 316.357 3.598 20 0 DHADHM CC(C)(C)Cc1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC000450433415 1029471173 /nfs/dbraw/zinc/47/11/73/1029471173.db2.gz KENBBRSMXVKIMF-UHFFFAOYSA-N -1 3 322.405 3.758 20 0 DHADHM C[C@H]1C[C@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000303133975 1029592622 /nfs/dbraw/zinc/59/26/22/1029592622.db2.gz CLCVKLSTHXEHGV-DTWKUNHWSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@H]1C[C@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000303133975 1029592626 /nfs/dbraw/zinc/59/26/26/1029592626.db2.gz CLCVKLSTHXEHGV-DTWKUNHWSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@@H]1C[C@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000303133980 1029593943 /nfs/dbraw/zinc/59/39/43/1029593943.db2.gz CLCVKLSTHXEHGV-RKDXNWHRSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@@H]1C[C@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000303133980 1029593946 /nfs/dbraw/zinc/59/39/46/1029593946.db2.gz CLCVKLSTHXEHGV-RKDXNWHRSA-N -1 3 318.343 3.615 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC001136260415 1029607296 /nfs/dbraw/zinc/60/72/96/1029607296.db2.gz LIIXEBCGLWGDHJ-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM CC[C@@H](CNC(=O)c1ccc(C)cc1[O-])Oc1cccc(C)c1 ZINC001136278774 1029623191 /nfs/dbraw/zinc/62/31/91/1029623191.db2.gz GTTPVBXHODXNMK-HNNXBMFYSA-N -1 3 313.397 3.596 20 0 DHADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)C1=CCCCC1 ZINC000450718609 1029627520 /nfs/dbraw/zinc/62/75/20/1029627520.db2.gz UEEMJGBPMULODD-UHFFFAOYSA-N -1 3 305.393 3.717 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1noc2c1CC(C)(C)CC2 ZINC000820648158 1029757178 /nfs/dbraw/zinc/75/71/78/1029757178.db2.gz QTPDWKLVMNYJPH-UHFFFAOYSA-N -1 3 317.414 3.559 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1cc(Br)cs1 ZINC000794842891 1029905668 /nfs/dbraw/zinc/90/56/68/1029905668.db2.gz NSGQDRSJYSIJJS-SECBINFHSA-N -1 3 320.252 3.537 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1cccc(CC)c1[O-] ZINC000530641614 1029945204 /nfs/dbraw/zinc/94/52/04/1029945204.db2.gz VSRPOVNUYBIDQT-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM CO[C@@H](C)c1nc(CN[C@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000925238041 1029997365 /nfs/dbraw/zinc/99/73/65/1029997365.db2.gz RTAALHBMBSKJEM-ZJUUUORDSA-N -1 3 310.394 3.546 20 0 DHADHM C[C@H]1CC=CC[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000357336823 1030003643 /nfs/dbraw/zinc/00/36/43/1030003643.db2.gz MNAXWSKELXMDFQ-AAEUAGOBSA-N -1 3 322.368 3.759 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000794866000 1030017231 /nfs/dbraw/zinc/01/72/31/1030017231.db2.gz SHKYSYROXYUHED-LLVKDONJSA-N -1 3 319.323 3.612 20 0 DHADHM CCc1cccc(C(=O)N(CC)Cc2cccc(F)c2)c1[O-] ZINC000530959765 1030095113 /nfs/dbraw/zinc/09/51/13/1030095113.db2.gz PCCVALDWRNRFCV-UHFFFAOYSA-N -1 3 301.361 3.756 20 0 DHADHM CCc1cccc(C(=O)NCc2ncc(-c3ccccc3)o2)c1[O-] ZINC000530955130 1030100826 /nfs/dbraw/zinc/10/08/26/1030100826.db2.gz JMSAKHVZGLSVDI-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM COc1cccc(-c2noc([N-][C@@H](C)c3cnc(C)s3)n2)c1 ZINC000866055922 1030118182 /nfs/dbraw/zinc/11/81/82/1030118182.db2.gz KKRUGHKHYAIMQC-VIFPVBQESA-N -1 3 316.386 3.683 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000822917592 1030160775 /nfs/dbraw/zinc/16/07/75/1030160775.db2.gz FYYAFBDGLBHPAM-BRWVUGGUSA-N -1 3 303.402 3.535 20 0 DHADHM O=C(CCc1cccc2ccccc21)[N-]OCCC(F)(F)F ZINC000867550063 1030461236 /nfs/dbraw/zinc/46/12/36/1030461236.db2.gz GVHAJPDLIKJCEC-UHFFFAOYSA-N -1 3 311.303 3.773 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212008769 1030646385 /nfs/dbraw/zinc/64/63/85/1030646385.db2.gz DEHBTTSYZMBXGM-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM CCOC(=O)c1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212008800 1030648048 /nfs/dbraw/zinc/64/80/48/1030648048.db2.gz DXWLEVKVCCZBIT-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM [O-]c1ccc(Nc2cccc(Cn3cccn3)c2)c(F)c1F ZINC001212008775 1030648326 /nfs/dbraw/zinc/64/83/26/1030648326.db2.gz DOXMAPUXFRVNOO-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(C)c1cccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000358856879 1030654755 /nfs/dbraw/zinc/65/47/55/1030654755.db2.gz OGHCEHRSSLODIJ-UHFFFAOYSA-N -1 3 320.392 3.582 20 0 DHADHM C[C@H]1Cc2cc(Nc3ccc([O-])c(F)c3F)ccc2N(C)C1=O ZINC001212016376 1030672127 /nfs/dbraw/zinc/67/21/27/1030672127.db2.gz NDBYUJQIEDHQDO-VIFPVBQESA-N -1 3 318.323 3.569 20 0 DHADHM CCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212016625 1030674904 /nfs/dbraw/zinc/67/49/04/1030674904.db2.gz ZJFYOIQYPXCXPV-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COc1ccccc1[C@H]1CCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC000093593978 1030701521 /nfs/dbraw/zinc/70/15/21/1030701521.db2.gz FOHHWMGHLLVARV-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CCCC3CCCC3)n[n-]2)o1 ZINC000359004123 1030724166 /nfs/dbraw/zinc/72/41/66/1030724166.db2.gz STRRWMFMJZMYOB-UHFFFAOYSA-N -1 3 302.378 3.672 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(C)c3)n[n-]2)o1 ZINC000359021323 1030735173 /nfs/dbraw/zinc/73/51/73/1030735173.db2.gz USUWECXXVTVNDU-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1c(N[C@H](C)c2cc([O-])cc(F)c2)cnn1C1CCOCC1 ZINC000926498635 1030769726 /nfs/dbraw/zinc/76/97/26/1030769726.db2.gz HTSUNMRABFIGEK-LLVKDONJSA-N -1 3 319.380 3.561 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000626294401 1030937546 /nfs/dbraw/zinc/93/75/46/1030937546.db2.gz NMLXBPPYDKZQNR-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(CCF)CC1 ZINC000870280457 1030966304 /nfs/dbraw/zinc/96/63/04/1030966304.db2.gz KMFDBAFGTGSUAW-UHFFFAOYSA-N -1 3 301.361 3.757 20 0 DHADHM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]OCCCC(F)(F)F ZINC000871213658 1031165043 /nfs/dbraw/zinc/16/50/43/1031165043.db2.gz XCQJNASNJVQIAD-NSHDSACASA-N -1 3 321.314 3.785 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c([O-])c1 ZINC000871326887 1031195890 /nfs/dbraw/zinc/19/58/90/1031195890.db2.gz KXJQDAJVDOIEIC-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000633201032 1031245050 /nfs/dbraw/zinc/24/50/50/1031245050.db2.gz JFLZFTVPMYAHLO-FOSCPWQOSA-N -1 3 321.804 3.770 20 0 DHADHM O=C([O-])CC[C@@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000871622026 1031249404 /nfs/dbraw/zinc/24/94/04/1031249404.db2.gz WRAFVQUFSDXLLO-LSYFEZSPSA-N -1 3 309.356 3.555 20 0 DHADHM CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872018874 1031400666 /nfs/dbraw/zinc/40/06/66/1031400666.db2.gz QFWMAKPIMVWEBX-RYUDHWBXSA-N -1 3 316.376 3.902 20 0 DHADHM CCc1cccc(C(=O)Nc2ccccc2OCC(F)F)c1[O-] ZINC000536730474 1031416732 /nfs/dbraw/zinc/41/67/32/1031416732.db2.gz LTUDAHRSWYBQKI-UHFFFAOYSA-N -1 3 321.323 3.851 20 0 DHADHM C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cccc([O-])c1F ZINC000872055464 1031445204 /nfs/dbraw/zinc/44/52/04/1031445204.db2.gz IVBWEGYPICCOON-LLVKDONJSA-N -1 3 315.344 3.600 20 0 DHADHM COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc(OC)c1 ZINC000872084567 1031480525 /nfs/dbraw/zinc/48/05/25/1031480525.db2.gz HACJBUUNWGKBIZ-BLLLJJGKSA-N -1 3 319.376 3.578 20 0 DHADHM C[C@H](NCc1cnccc1C(F)(F)F)c1cccc([O-])c1F ZINC000872088276 1031485785 /nfs/dbraw/zinc/48/57/85/1031485785.db2.gz PDUKEZNFHBPXLN-VIFPVBQESA-N -1 3 314.282 3.796 20 0 DHADHM [O-]c1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1Cl ZINC000293861979 1031663195 /nfs/dbraw/zinc/66/31/95/1031663195.db2.gz IJEHGICACIQUMC-HOCLYGCPSA-N -1 3 307.821 3.579 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-n2cccc2)cc1 ZINC001144617131 1031766061 /nfs/dbraw/zinc/76/60/61/1031766061.db2.gz OXHHQYUOAJFDKK-UHFFFAOYSA-N -1 3 310.328 3.503 20 0 DHADHM [O-]c1cc(F)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc1F ZINC001144659537 1031813293 /nfs/dbraw/zinc/81/32/93/1031813293.db2.gz MJQHJMBHTRHAKZ-TXEJJXNPSA-N -1 3 301.336 3.757 20 0 DHADHM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1c([O-])cccc1Cl ZINC000897846897 1031856528 /nfs/dbraw/zinc/85/65/28/1031856528.db2.gz OXOGQQKOLQJRMU-NSHDSACASA-N -1 3 309.793 3.724 20 0 DHADHM CCc1cccc(C(=O)N2CCOc3c(C)cc(C)cc32)c1[O-] ZINC001144748187 1031932753 /nfs/dbraw/zinc/93/27/53/1031932753.db2.gz FIYZJXMCUCLTBM-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM CCOc1cc(NCc2c(F)ccc([O-])c2F)ccc1OC ZINC000294325596 1031939190 /nfs/dbraw/zinc/93/91/90/1031939190.db2.gz RFCPRLAYMYQZAI-UHFFFAOYSA-N -1 3 309.312 3.690 20 0 DHADHM C/C(=C/CN(Cc1cc(F)ccc1F)C1CCCC1)C(=O)[O-] ZINC000846255803 1031942790 /nfs/dbraw/zinc/94/27/90/1031942790.db2.gz RPNAIMGQOKOJPJ-WQLSENKSSA-N -1 3 309.356 3.740 20 0 DHADHM Cc1ccc2snc(C(=O)[N-]c3nnc(C(C)C)s3)c2c1 ZINC000294381709 1031970903 /nfs/dbraw/zinc/97/09/03/1031970903.db2.gz BNCHGAGCGZJFJV-UHFFFAOYSA-N -1 3 318.427 3.832 20 0 DHADHM C[C@@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)C[C@@]1(F)Cl ZINC000846400422 1031973722 /nfs/dbraw/zinc/97/37/22/1031973722.db2.gz PICLXJKNKKWVAA-SJORKVTESA-N -1 3 321.779 3.980 20 0 DHADHM COCCOc1ccc(NCc2c(F)ccc([O-])c2F)c(C)c1 ZINC000294474598 1032017488 /nfs/dbraw/zinc/01/74/88/1032017488.db2.gz ZQEVUSALBCOQHE-UHFFFAOYSA-N -1 3 323.339 3.616 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(Cc3nccs3)CC2)c1F ZINC000877674553 1033408259 /nfs/dbraw/zinc/40/82/59/1033408259.db2.gz ROGKWBSUFDWFQO-UHFFFAOYSA-N -1 3 324.396 3.582 20 0 DHADHM [O-]c1c(F)c(F)ccc1Nc1ccc(Cn2ccnc2)cc1 ZINC001212699109 1033497531 /nfs/dbraw/zinc/49/75/31/1033497531.db2.gz ODIJYKMRSGTMMY-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(=O)Nc1ccc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001212699765 1033500241 /nfs/dbraw/zinc/50/02/41/1033500241.db2.gz BTEGCABFLIVTIA-UHFFFAOYSA-N -1 3 317.345 3.843 20 0 DHADHM Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000877969029 1033534072 /nfs/dbraw/zinc/53/40/72/1033534072.db2.gz URCNJJVMYHIFFU-CQSZACIVSA-N -1 3 323.396 3.944 20 0 DHADHM [O-]c1cncc(-c2nc(-c3ccccc3C(F)(F)F)no2)c1 ZINC001212708845 1033572222 /nfs/dbraw/zinc/57/22/22/1033572222.db2.gz RZJZMTUPIJXWNK-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM Cc1cccc2c1CCCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC000878106757 1033580558 /nfs/dbraw/zinc/58/05/58/1033580558.db2.gz QPNIMNSHYUJGIG-UHFFFAOYSA-N -1 3 321.380 3.703 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccoc2)C2CC2)c1 ZINC000889088730 1033612601 /nfs/dbraw/zinc/61/26/01/1033612601.db2.gz BPJBMSLWFSGCKG-UHFFFAOYSA-N -1 3 303.383 3.512 20 0 DHADHM CC1(C)CN(Cc2nnc(-c3ccccc3[O-])o2)c2ccccc21 ZINC000878270570 1033644334 /nfs/dbraw/zinc/64/43/34/1033644334.db2.gz YHSJXZTVXJFZKT-UHFFFAOYSA-N -1 3 321.380 3.740 20 0 DHADHM CC[C@](C)(NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878362180 1033672647 /nfs/dbraw/zinc/67/26/47/1033672647.db2.gz OPAFYZBETBROPA-IBGZPJMESA-N -1 3 323.396 3.857 20 0 DHADHM C[C@@H]1CN(CCc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000659801006 1033757295 /nfs/dbraw/zinc/75/72/95/1033757295.db2.gz DYXJSZLBMGPFOW-PWSUYJOCSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@H]1C[C@H]1N(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878709635 1033802563 /nfs/dbraw/zinc/80/25/63/1033802563.db2.gz PWFKVTYTTMFRGV-XJKSGUPXSA-N -1 3 321.380 3.857 20 0 DHADHM NC(=O)c1ccc(Nc2ccccc2-c2ccccc2)cc1[O-] ZINC001173817998 1033857993 /nfs/dbraw/zinc/85/79/93/1033857993.db2.gz FAVRQNSDIROFLE-UHFFFAOYSA-N -1 3 304.349 3.902 20 0 DHADHM COc1ccc(Nc2cccc([O-])c2Br)cc1OC ZINC001173888536 1033974069 /nfs/dbraw/zinc/97/40/69/1033974069.db2.gz CXDPPGINOGSKMI-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2[nH]ccc2c1 ZINC001173936072 1033998425 /nfs/dbraw/zinc/99/84/25/1033998425.db2.gz ILKMIWAIXJCLLB-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)c1ccc(F)cc1 ZINC000023346314 1034027640 /nfs/dbraw/zinc/02/76/40/1034027640.db2.gz KFWXASJWBMYTLK-VIFPVBQESA-N -1 3 317.341 3.797 20 0 DHADHM Brc1nnc([N-]c2cnc3ccccc3c2)s1 ZINC001174000920 1034030170 /nfs/dbraw/zinc/03/01/70/1034030170.db2.gz GAKVWOQJDDRSQV-UHFFFAOYSA-N -1 3 307.176 3.592 20 0 DHADHM CC(C)CNC(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174078031 1034132559 /nfs/dbraw/zinc/13/25/59/1034132559.db2.gz LSFRTYAZBYVYNW-UHFFFAOYSA-N -1 3 319.792 3.570 20 0 DHADHM CC(C)CNC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174078173 1034132625 /nfs/dbraw/zinc/13/26/25/1034132625.db2.gz XLNULLZQHSLQMN-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM [O-]c1cc(Nc2cnn(Cc3ccccc3)c2)c(F)cc1F ZINC001174133135 1034157244 /nfs/dbraw/zinc/15/72/44/1034157244.db2.gz JQBGKTRMPDHISA-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM [O-]c1cc(F)c(Nc2cnn(Cc3ccccc3)c2)cc1F ZINC001174135243 1034160834 /nfs/dbraw/zinc/16/08/34/1034160834.db2.gz YDBZFPNSHHLHGY-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(Cl)c1O ZINC000554518580 1034191698 /nfs/dbraw/zinc/19/16/98/1034191698.db2.gz CTLGCZKUPYFTEP-DJWKRKHSSA-N -1 3 318.760 3.598 20 0 DHADHM CCCCNC(=O)c1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001174189216 1034205731 /nfs/dbraw/zinc/20/57/31/1034205731.db2.gz PLPJTRLOGVOSHQ-UHFFFAOYSA-N -1 3 316.405 3.641 20 0 DHADHM Cc1nc(C(C)C)ncc1C(=O)Nc1c([O-])cccc1Cl ZINC000880122303 1034217026 /nfs/dbraw/zinc/21/70/26/1034217026.db2.gz IIDBWXJVRJQFOO-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3[nH]cnc3c2)CC)n1 ZINC000864086501 1034287960 /nfs/dbraw/zinc/28/79/60/1034287960.db2.gz GOLVUGTXKGGKSB-JYRVWZFOSA-N -1 3 308.385 3.549 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3nc[nH]c3c2)CC)n1 ZINC000864086501 1034287979 /nfs/dbraw/zinc/28/79/79/1034287979.db2.gz GOLVUGTXKGGKSB-JYRVWZFOSA-N -1 3 308.385 3.549 20 0 DHADHM [O-]c1cc(NC2=CCCN(Cc3ccccc3)C2)c(F)cc1F ZINC001174395926 1034322108 /nfs/dbraw/zinc/32/21/08/1034322108.db2.gz AJCXFYRZBLJZAH-UHFFFAOYSA-N -1 3 316.351 3.872 20 0 DHADHM CC(C)n1cnc2cc(Nc3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC001174380651 1034355437 /nfs/dbraw/zinc/35/54/37/1034355437.db2.gz HPPILNXWRJMIOH-UHFFFAOYSA-N -1 3 309.373 3.734 20 0 DHADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184224921 1034455058 /nfs/dbraw/zinc/45/50/58/1034455058.db2.gz YVCQBUYAEGZDMW-CYBMUJFWSA-N -1 3 317.360 3.576 20 0 DHADHM [O-]c1cccc(Nc2cnc(C3CC3)nc2)c1Br ZINC001174617862 1034540903 /nfs/dbraw/zinc/54/09/03/1034540903.db2.gz HBHSFTONUXUBAE-UHFFFAOYSA-N -1 3 306.163 3.566 20 0 DHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nc(C2CCCCC2)no1 ZINC000185560939 1034556791 /nfs/dbraw/zinc/55/67/91/1034556791.db2.gz OEURRQNALRRBBU-NSHDSACASA-N -1 3 319.380 3.813 20 0 DHADHM C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000882025486 1034723187 /nfs/dbraw/zinc/72/31/87/1034723187.db2.gz DRRCVINVLUYUNU-IBGZPJMESA-N -1 3 313.372 3.612 20 0 DHADHM O=c1[n-]cncc1Nc1ccc(OCc2ccccc2)c(F)c1 ZINC001175019311 1034739394 /nfs/dbraw/zinc/73/93/94/1034739394.db2.gz RAHIELFXCKRULK-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM C[C@H]1Cc2cc(Nc3c(F)cc([O-])cc3F)ccc2N(C)C1=O ZINC001175102559 1034784436 /nfs/dbraw/zinc/78/44/36/1034784436.db2.gz ORTXZKYXQLWHGA-VIFPVBQESA-N -1 3 318.323 3.569 20 0 DHADHM COC(=O)c1cc(F)c(C)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102348 1034785151 /nfs/dbraw/zinc/78/51/51/1034785151.db2.gz JSGRRTRPKQVGDR-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM COc1cc(C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C ZINC001175112075 1034790697 /nfs/dbraw/zinc/79/06/97/1034790697.db2.gz XYCBACRFSFLCEA-UHFFFAOYSA-N -1 3 309.369 3.947 20 0 DHADHM COc1ccc(F)c([N-]c2nc3c(s2)C(=O)CCC3)c1F ZINC001175116498 1034791178 /nfs/dbraw/zinc/79/11/78/1034791178.db2.gz UDCPDWBCDZBYPW-UHFFFAOYSA-N -1 3 310.325 3.693 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421263 1034802497 /nfs/dbraw/zinc/80/24/97/1034802497.db2.gz HFJXCWOIFMCHIO-JTQLQIEISA-N -1 3 323.151 3.712 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421263 1034802513 /nfs/dbraw/zinc/80/25/13/1034802513.db2.gz HFJXCWOIFMCHIO-JTQLQIEISA-N -1 3 323.151 3.712 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175096856 1034811164 /nfs/dbraw/zinc/81/11/64/1034811164.db2.gz KMSZQGDGHBPVLM-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000192725041 1034816300 /nfs/dbraw/zinc/81/63/00/1034816300.db2.gz LLKKNUZDMSXFPS-UONOGXRCSA-N -1 3 315.417 3.690 20 0 DHADHM COC(=O)c1c(C)c(C)sc1Nc1c(F)ccc([O-])c1F ZINC001175263869 1034911266 /nfs/dbraw/zinc/91/12/66/1034911266.db2.gz VBLQSRNWKZAWFD-UHFFFAOYSA-N -1 3 313.325 3.879 20 0 DHADHM Nc1cc(Cl)nc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175262796 1034911453 /nfs/dbraw/zinc/91/14/53/1034911453.db2.gz LLFJHHYVXFFFDH-UHFFFAOYSA-N -1 3 306.099 3.698 20 0 DHADHM Cc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)cc(=O)[n-]1 ZINC001175261116 1034912232 /nfs/dbraw/zinc/91/22/32/1034912232.db2.gz PYFBFGBEBHOFNH-UHFFFAOYSA-N -1 3 303.671 3.906 20 0 DHADHM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175264095 1034912244 /nfs/dbraw/zinc/91/22/44/1034912244.db2.gz AFDOZOJHNNIMNY-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1ccc2cc(Nc3c(F)ccc([O-])c3F)ccc2n1 ZINC001175268562 1034913983 /nfs/dbraw/zinc/91/39/83/1034913983.db2.gz UHHXNOFJLVCTGE-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269532 1034916242 /nfs/dbraw/zinc/91/62/42/1034916242.db2.gz HDRVXCLWFZDFNR-UHFFFAOYSA-N -1 3 307.296 3.981 20 0 DHADHM CCN(CC)C(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175269830 1034916438 /nfs/dbraw/zinc/91/64/38/1034916438.db2.gz NLAQYXHPWIQOHQ-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM O=c1ccccn1-c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175270334 1034916590 /nfs/dbraw/zinc/91/65/90/1034916590.db2.gz XUNODNRPKUOELO-UHFFFAOYSA-N -1 3 314.291 3.565 20 0 DHADHM COc1cnc2c(cccc2Nc2c(F)ccc([O-])c2F)c1 ZINC001175270234 1034916654 /nfs/dbraw/zinc/91/66/54/1034916654.db2.gz WORNCHWYHWCNDN-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)CC2)c1 ZINC001175329143 1034936650 /nfs/dbraw/zinc/93/66/50/1034936650.db2.gz IEBLAJNVCPZALF-INIZCTEOSA-N -1 3 301.430 3.997 20 0 DHADHM [O-]c1cccc2sc(Nc3ccc(-n4cccn4)cc3)nc21 ZINC001175366716 1034954211 /nfs/dbraw/zinc/95/42/11/1034954211.db2.gz SQUOEUXUZYFODI-UHFFFAOYSA-N -1 3 308.366 3.931 20 0 DHADHM Clc1cnc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430297 1034980103 /nfs/dbraw/zinc/98/01/03/1034980103.db2.gz OXZQKYMNWURLRJ-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1ccc2cccnc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430270 1034980685 /nfs/dbraw/zinc/98/06/85/1034980685.db2.gz NJEQDADAUKSGCR-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC001175431742 1034980963 /nfs/dbraw/zinc/98/09/63/1034980963.db2.gz LFWBOOBDRKALJP-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Clc1cnc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001175432850 1034981342 /nfs/dbraw/zinc/98/13/42/1034981342.db2.gz MOLODQMJNZGMAL-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CCc1cc(=O)[n-]c(CSC[C@@H](OC)c2ccc(F)cc2)n1 ZINC000600621040 1035014755 /nfs/dbraw/zinc/01/47/55/1035014755.db2.gz FTENOTWHEBYUCM-CQSZACIVSA-N -1 3 322.405 3.505 20 0 DHADHM Cn1cc2c(cccc2Nc2cccc([O-])c2Br)n1 ZINC001175595142 1035037492 /nfs/dbraw/zinc/03/74/92/1035037492.db2.gz ZADUVXWAAUJGCC-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)CC1CCC1 ZINC000194350543 1035116955 /nfs/dbraw/zinc/11/69/55/1035116955.db2.gz VTIAWLFLVZMPNM-UHFFFAOYSA-N -1 3 311.381 3.540 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2scnc2c1 ZINC001175910978 1035159018 /nfs/dbraw/zinc/15/90/18/1035159018.db2.gz OWYBKEOWGRISCY-UHFFFAOYSA-N -1 3 322.187 3.903 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)s2)c1 ZINC000668114735 1035172794 /nfs/dbraw/zinc/17/27/94/1035172794.db2.gz BRUWQQFSGHQCNO-UHFFFAOYSA-N -1 3 307.440 3.756 20 0 DHADHM [O-]c1ccc(Nc2cccc(N3CCOCC3)c2)cc1Cl ZINC001176017075 1035185832 /nfs/dbraw/zinc/18/58/32/1035185832.db2.gz DURLWSXJGZCEHK-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM COc1cccc2[nH]c(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc21 ZINC001176061697 1035198803 /nfs/dbraw/zinc/19/88/03/1035198803.db2.gz MISYORVGXKCQEI-UHFFFAOYSA-N -1 3 320.352 3.811 20 0 DHADHM Cc1ccc2ccc(F)c(Nc3cc(=O)[n-]c(C4CC4)n3)c2n1 ZINC001176113014 1035207075 /nfs/dbraw/zinc/20/70/75/1035207075.db2.gz DUFXWJSGPDWELJ-UHFFFAOYSA-N -1 3 310.332 3.799 20 0 DHADHM COC(=O)c1oc2cccc(F)c2c1[N-]c1c(C)noc1C ZINC001176176314 1035212525 /nfs/dbraw/zinc/21/25/25/1035212525.db2.gz GYLZCJYQKXEHHZ-UHFFFAOYSA-N -1 3 304.277 3.707 20 0 DHADHM Cc1ccc(Nc2ccc(C(=O)N(C)C)cc2F)c(Cl)c1[O-] ZINC001176206348 1035224769 /nfs/dbraw/zinc/22/47/69/1035224769.db2.gz SHJBGFOKDLMTDD-UHFFFAOYSA-N -1 3 322.767 3.939 20 0 DHADHM O=c1cc(Nc2ccc(-c3ccncc3)cc2)nc(C2CC2)[n-]1 ZINC001176694160 1035313665 /nfs/dbraw/zinc/31/36/65/1035313665.db2.gz KFUFOSZBZYZBGL-UHFFFAOYSA-N -1 3 304.353 3.865 20 0 DHADHM CC(C)(C)c1nnc([N-]c2cccnc2N2CCCC2)s1 ZINC001176744322 1035322108 /nfs/dbraw/zinc/32/21/08/1035322108.db2.gz SVEDSPZKDVBLDK-UHFFFAOYSA-N -1 3 303.435 3.574 20 0 DHADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c(C)c1 ZINC000904045873 1035351820 /nfs/dbraw/zinc/35/18/20/1035351820.db2.gz QNGWVXVAGHEZKU-KRWDZBQOSA-N -1 3 301.361 3.748 20 0 DHADHM CCCC[C@H](C)NC(=O)Nc1ccc([O-])c(Br)c1 ZINC001193062622 1035547655 /nfs/dbraw/zinc/54/76/55/1035547655.db2.gz SNQNXTRAYTWFAM-VIFPVBQESA-N -1 3 315.211 3.855 20 0 DHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000485392978 1035603445 /nfs/dbraw/zinc/60/34/45/1035603445.db2.gz XXWHUTFRYQJFKG-UHFFFAOYSA-N -1 3 318.373 3.725 20 0 DHADHM CCCN(C(=O)c1ccccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000195645716 1035625962 /nfs/dbraw/zinc/62/59/62/1035625962.db2.gz BQEUNMYZOHVREE-QGZVFWFLSA-N -1 3 309.409 3.802 20 0 DHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc([O-])cc1C(F)(F)F ZINC001193758474 1035728223 /nfs/dbraw/zinc/72/82/23/1035728223.db2.gz SQMYIPHXMMAKGO-MRVPVSSYSA-N -1 3 323.261 3.719 20 0 DHADHM Cc1ccccc1[C@H](C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436959255 1035765989 /nfs/dbraw/zinc/76/59/89/1035765989.db2.gz CFGAIIBCRXUWLY-NSHDSACASA-N -1 3 324.336 3.631 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC001180936245 1035789095 /nfs/dbraw/zinc/78/90/95/1035789095.db2.gz DUAICJRRFDXFMU-AEFFLSMTSA-N -1 3 317.429 3.689 20 0 DHADHM CC(C)=CCC/C(C)=C/CNC(=O)c1c(C)cc(O)cc1[O-] ZINC001193945282 1035791760 /nfs/dbraw/zinc/79/17/60/1035791760.db2.gz BFKLHANSXMAQFI-MDWZMJQESA-N -1 3 303.402 3.829 20 0 DHADHM O=C(CC1c2ccccc2-c2ccccc21)Nc1cncc([O-])c1 ZINC001181307240 1035885886 /nfs/dbraw/zinc/88/58/86/1035885886.db2.gz PIPQHJHGJNNEMY-UHFFFAOYSA-N -1 3 316.360 3.928 20 0 DHADHM O=C(Nc1c([O-])cccc1Br)Oc1ccccc1 ZINC001194251705 1035888470 /nfs/dbraw/zinc/88/84/70/1035888470.db2.gz QULFCPPIRDBBQL-UHFFFAOYSA-N -1 3 308.131 3.766 20 0 DHADHM COC(=O)c1cnc(SCc2ccccc2C(F)(F)F)[n-]1 ZINC000193544992 1035896010 /nfs/dbraw/zinc/89/60/10/1035896010.db2.gz WEPRKHFMVNJHDY-UHFFFAOYSA-N -1 3 316.304 3.507 20 0 DHADHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1 ZINC000914476650 1035935623 /nfs/dbraw/zinc/93/56/23/1035935623.db2.gz KFTGQMJMYHJHRD-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2nsc3ccccc32)s1 ZINC000906370431 1035939985 /nfs/dbraw/zinc/93/99/85/1035939985.db2.gz LNKDICOCKUJJGQ-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM CSc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194634056 1035974497 /nfs/dbraw/zinc/97/44/97/1035974497.db2.gz MGIUNHVLUBTEHY-UHFFFAOYSA-N -1 3 307.440 3.826 20 0 DHADHM C[C@@H](CC(=O)Nc1cncc([O-])c1)Sc1ccc(Cl)cc1 ZINC001181766402 1035986905 /nfs/dbraw/zinc/98/69/05/1035986905.db2.gz MRVRMXLNNDVGRC-JTQLQIEISA-N -1 3 322.817 3.950 20 0 DHADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1C ZINC000486005549 1036087760 /nfs/dbraw/zinc/08/77/60/1036087760.db2.gz MUOVCVQHNDNLBO-AATRIKPKSA-N -1 3 303.365 3.619 20 0 DHADHM CSc1ccccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000540805383 1036159081 /nfs/dbraw/zinc/15/90/81/1036159081.db2.gz HAKGLQUXDWQFPO-UHFFFAOYSA-N -1 3 307.802 3.949 20 0 DHADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646577282 1036221855 /nfs/dbraw/zinc/22/18/55/1036221855.db2.gz UFMJDZHNVLREQI-UWVGGRQHSA-N -1 3 301.308 3.529 20 0 DHADHM Cc1ccc2nc(-c3ccc(OC(F)(F)F)cc3)[n-]c(=O)c2c1 ZINC000486437629 1036255251 /nfs/dbraw/zinc/25/52/51/1036255251.db2.gz OIQJEEUEZVBSGC-UHFFFAOYSA-N -1 3 320.270 3.797 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001182358743 1036257258 /nfs/dbraw/zinc/25/72/58/1036257258.db2.gz FZOOJIDCZKMJBP-CHWSQXEVSA-N -1 3 322.286 3.548 20 0 DHADHM CCc1cccc(C(=O)N2CCC(c3ccc(C)nc3)CC2)c1[O-] ZINC000541252716 1036275428 /nfs/dbraw/zinc/27/54/28/1036275428.db2.gz OQAIZYMRUSDKJP-UHFFFAOYSA-N -1 3 324.424 3.678 20 0 DHADHM FC(F)(F)[C@@H]([N-]c1ncc2sccc2n1)c1ccccn1 ZINC001168479021 1036300455 /nfs/dbraw/zinc/30/04/55/1036300455.db2.gz UDXHMISDJJNOBO-NSHDSACASA-N -1 3 310.304 3.802 20 0 DHADHM CC(C)Oc1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(F)c1 ZINC001195802358 1036353679 /nfs/dbraw/zinc/35/36/79/1036353679.db2.gz ZDRNIRAGCVQQEM-UHFFFAOYSA-N -1 3 307.296 3.710 20 0 DHADHM Cc1cc(=O)[n-]c(CSc2cccc(C(F)(F)F)c2)n1 ZINC000761851589 1036356798 /nfs/dbraw/zinc/35/67/98/1036356798.db2.gz KXWTYJMNUVNVMW-UHFFFAOYSA-N -1 3 300.305 3.802 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC001182540577 1036382124 /nfs/dbraw/zinc/38/21/24/1036382124.db2.gz HZEJKGJHBMYGPG-OLZOCXBDSA-N -1 3 305.418 3.680 20 0 DHADHM CCc1cccc(C(=O)N2CC=C(c3ccccc3F)C2)c1[O-] ZINC000541861570 1036444910 /nfs/dbraw/zinc/44/49/10/1036444910.db2.gz FHEUELSBOTZVCH-UHFFFAOYSA-N -1 3 311.356 3.633 20 0 DHADHM Cc1cccc(NC(=S)Nc2ncc([O-])cc2Cl)c1C ZINC001196394860 1036520170 /nfs/dbraw/zinc/52/01/70/1036520170.db2.gz QGTBVUMSGFSYHQ-UHFFFAOYSA-N -1 3 307.806 3.866 20 0 DHADHM CC1(C)CC[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183367326 1036585676 /nfs/dbraw/zinc/58/56/76/1036585676.db2.gz FCGYDVKWEQSDTL-NSHDSACASA-N -1 3 310.357 3.593 20 0 DHADHM CC[C@@H](C)[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000303748963 1036624590 /nfs/dbraw/zinc/62/45/90/1036624590.db2.gz BFZCIJZSZXAEQF-ACJLOTCBSA-N -1 3 315.388 3.977 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cncc(-c3ccccc3F)c2)n1 ZINC001196849125 1036625860 /nfs/dbraw/zinc/62/58/60/1036625860.db2.gz OKNVCCIIWLNBKD-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CC12CCC(F)(F)CC2 ZINC001183580771 1036632449 /nfs/dbraw/zinc/63/24/49/1036632449.db2.gz GRVWPOKZCRYVRL-GFCCVEGCSA-N -1 3 323.339 3.749 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(F)cc1 ZINC001196948188 1036655423 /nfs/dbraw/zinc/65/54/23/1036655423.db2.gz NKIRSDIZEVWQGF-UHFFFAOYSA-N -1 3 304.346 3.543 20 0 DHADHM C[C@H](CCc1ccccc1)SCCC[N-]C(=O)C(F)(F)F ZINC000774675900 1036663323 /nfs/dbraw/zinc/66/33/23/1036663323.db2.gz URJDVMKYNMFSRZ-GFCCVEGCSA-N -1 3 319.392 3.810 20 0 DHADHM CSc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774679745 1036669880 /nfs/dbraw/zinc/66/98/80/1036669880.db2.gz NWKNKGJIBASBCM-UHFFFAOYSA-N -1 3 323.405 3.710 20 0 DHADHM C[C@]12C[C@@H]3C[C@](C(=O)Nc4cncc([O-])c4)(C1)C[C@@](C)(C3)C2 ZINC001184494536 1036849085 /nfs/dbraw/zinc/84/90/85/1036849085.db2.gz HHLQLVDTYHJBSC-PGMCMWNHSA-N -1 3 300.402 3.722 20 0 DHADHM O=S(=O)(Cc1ccccn1)[N-]c1ccccc1-c1ccccc1 ZINC001197824796 1036888083 /nfs/dbraw/zinc/88/80/83/1036888083.db2.gz JPIBASSAUNZAOS-UHFFFAOYSA-N -1 3 324.405 3.691 20 0 DHADHM C[C@H](CCNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000235444362 1036901388 /nfs/dbraw/zinc/90/13/88/1036901388.db2.gz KQZKJEMPRXWGIA-GFCCVEGCSA-N -1 3 303.789 3.969 20 0 DHADHM Cc1sc(Cl)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000762843564 1036964536 /nfs/dbraw/zinc/96/45/36/1036964536.db2.gz KCEVOHOFPWBOGJ-UHFFFAOYSA-N -1 3 303.170 3.716 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c(C)c1Cl ZINC001198228305 1036981212 /nfs/dbraw/zinc/98/12/12/1036981212.db2.gz MUSVZJLTJIPHKE-UHFFFAOYSA-N -1 3 315.760 3.791 20 0 DHADHM CC(C)(C)c1ccc(NC(=S)Nc2cncc([O-])c2)cc1 ZINC001198467194 1037030362 /nfs/dbraw/zinc/03/03/62/1037030362.db2.gz AMCZKAOYZQFZMU-UHFFFAOYSA-N -1 3 301.415 3.894 20 0 DHADHM CC1=NO[C@@H](CSc2nnc([N-]c3ccccc3F)s2)C1 ZINC000915675056 1037125390 /nfs/dbraw/zinc/12/53/90/1037125390.db2.gz VQQFUARMMQVONO-SECBINFHSA-N -1 3 324.406 3.678 20 0 DHADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OC1CCCC1 ZINC000774874550 1037133134 /nfs/dbraw/zinc/13/31/34/1037133134.db2.gz HZZHKNSJNQDMBU-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521182 1037416317 /nfs/dbraw/zinc/41/63/17/1037416317.db2.gz IMUZQKWOWFNWEJ-UHFFFAOYSA-N -1 3 320.805 3.677 20 0 DHADHM CSc1ccccc1NC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001186744324 1037482646 /nfs/dbraw/zinc/48/26/46/1037482646.db2.gz CYIQGHBUYUPXLN-UHFFFAOYSA-N -1 3 316.382 3.961 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 ZINC001201074011 1037532110 /nfs/dbraw/zinc/53/21/10/1037532110.db2.gz BMGHKSCSRIEZGH-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM CCc1ccccc1NC(=S)Nc1ncc([O-])cc1Cl ZINC001201144520 1037543463 /nfs/dbraw/zinc/54/34/63/1037543463.db2.gz UIAMJHSONDLXSX-UHFFFAOYSA-N -1 3 307.806 3.812 20 0 DHADHM CCc1ccccc1NC(=S)Nc1c([O-])cccc1C(C)=O ZINC001201149002 1037543492 /nfs/dbraw/zinc/54/34/92/1037543492.db2.gz SGRSMENIVRUCMU-UHFFFAOYSA-N -1 3 314.410 3.966 20 0 DHADHM CCCCCC(C)(C)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000151044475 1037695197 /nfs/dbraw/zinc/69/51/97/1037695197.db2.gz OHCQSIVZRUBTMW-UHFFFAOYSA-N -1 3 314.429 3.864 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(C(F)(F)F)c[nH]1 ZINC001187702125 1037700594 /nfs/dbraw/zinc/70/05/94/1037700594.db2.gz FUVDKJBNSWQBNZ-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM CC(C)(CC(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000490668249 1037774471 /nfs/dbraw/zinc/77/44/71/1037774471.db2.gz GLKUVRFZKYIYMN-UHFFFAOYSA-N -1 3 312.207 3.920 20 0 DHADHM O=C(c1cccc(Cl)c1Nc1cncc([O-])c1)C(F)(F)F ZINC001201648781 1037832639 /nfs/dbraw/zinc/83/26/39/1037832639.db2.gz MFVWQCYUJRJAEH-UHFFFAOYSA-N -1 3 316.666 3.929 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000123621818 1037856474 /nfs/dbraw/zinc/85/64/74/1037856474.db2.gz LYHQHARKKZFRSD-AWEZNQCLSA-N -1 3 317.410 3.612 20 0 DHADHM Cc1ccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000125347707 1037933382 /nfs/dbraw/zinc/93/33/82/1037933382.db2.gz LXYXPOBSQVUPDK-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001188648747 1037943261 /nfs/dbraw/zinc/94/32/61/1037943261.db2.gz MUPGVUOBCKNEDF-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM CCN(Cc1cccc(F)c1F)C(=O)c1c(C)cccc1[O-] ZINC001188649042 1037943780 /nfs/dbraw/zinc/94/37/80/1037943780.db2.gz PVUNCKWTNFDOGH-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM COc1ccc(C2=CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC001188648107 1037944000 /nfs/dbraw/zinc/94/40/00/1037944000.db2.gz CIPCCJAYGOTQMC-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM COc1cc(OC)c(NC(=O)c2c(C)cccc2[O-])cc1Cl ZINC001188638272 1037954420 /nfs/dbraw/zinc/95/44/20/1037954420.db2.gz KCVPTQOUOZSLLV-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cnnc2ccc(Cl)cc21 ZINC001188640525 1037957777 /nfs/dbraw/zinc/95/77/77/1037957777.db2.gz QVMFSSQRDSAJBQ-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000571689830 1038180386 /nfs/dbraw/zinc/18/03/86/1038180386.db2.gz TVWJXSNJOIIORK-LLVKDONJSA-N -1 3 321.389 3.651 20 0 DHADHM CC(C)N(C(=O)c1cccc(OC(F)(F)F)c1[O-])C(C)C ZINC001189748024 1038205110 /nfs/dbraw/zinc/20/51/10/1038205110.db2.gz DBTVLBUQIMJBBH-UHFFFAOYSA-N -1 3 305.296 3.550 20 0 DHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190464854 1038327930 /nfs/dbraw/zinc/32/79/30/1038327930.db2.gz WXCKFKKEZVCTFF-UHFFFAOYSA-N -1 3 301.411 3.927 20 0 DHADHM O=C(c1ccc(=O)[n-]c1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC001190908557 1038406756 /nfs/dbraw/zinc/40/67/56/1038406756.db2.gz AITVPHCBDTZGEN-CYBMUJFWSA-N -1 3 308.809 3.626 20 0 DHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000589435467 1038484922 /nfs/dbraw/zinc/48/49/22/1038484922.db2.gz NWDFDUFKHBXSBE-AWEZNQCLSA-N -1 3 319.426 3.973 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(F)c(C)c1Cl ZINC001191372043 1038497596 /nfs/dbraw/zinc/49/75/96/1038497596.db2.gz ACZJUKKEMWVPNS-UHFFFAOYSA-N -1 3 321.735 3.948 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NCc2ccc3ocnc3c2)c([O-])c1 ZINC001192335082 1038629279 /nfs/dbraw/zinc/62/92/79/1038629279.db2.gz DIBJMWCFVLEQSS-UHFFFAOYSA-N -1 3 324.380 3.761 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2sc(C(C)C)nc2C)c1[O-] ZINC000573093478 1038783962 /nfs/dbraw/zinc/78/39/62/1038783962.db2.gz OVTHXGOFPOQJNH-UHFFFAOYSA-N -1 3 318.398 3.735 20 0 DHADHM CCO[N-]C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000170944028 1039121249 /nfs/dbraw/zinc/12/12/49/1039121249.db2.gz LCWOWXCKZOCNAI-UHFFFAOYSA-N -1 3 319.788 3.529 20 0 DHADHM C[C@H](CSCCNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000592460777 1039210427 /nfs/dbraw/zinc/21/04/27/1039210427.db2.gz AYLKXTGSOJXLPN-SECBINFHSA-N -1 3 322.257 3.537 20 0 DHADHM O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc([O-])c(F)c1 ZINC000606537443 1039920777 /nfs/dbraw/zinc/92/07/77/1039920777.db2.gz VKMBUUQDAYNRRF-UHFFFAOYSA-N -1 3 317.404 3.754 20 0 DHADHM CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606670962 1039949241 /nfs/dbraw/zinc/94/92/41/1039949241.db2.gz JFJYQSUVXCAWIV-UONOGXRCSA-N -1 3 308.397 3.545 20 0 DHADHM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc(C)c1 ZINC000606771338 1039963648 /nfs/dbraw/zinc/96/36/48/1039963648.db2.gz WQDSVVUXRDLQOJ-CYBMUJFWSA-N -1 3 323.421 3.678 20 0 DHADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000606907138 1040033107 /nfs/dbraw/zinc/03/31/07/1040033107.db2.gz ABXWIUULHZGLCT-SECBINFHSA-N -1 3 310.246 3.564 20 0 DHADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000608004586 1040349474 /nfs/dbraw/zinc/34/94/74/1040349474.db2.gz NQMGIGKXHUFIOP-UHFFFAOYSA-N -1 3 323.389 3.630 20 0 DHADHM CC(C)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000456342253 1040781558 /nfs/dbraw/zinc/78/15/58/1040781558.db2.gz PCXRYHNFTCKANJ-KXBFYZLASA-N -1 3 321.436 3.993 20 0 DHADHM CC(C)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000456342247 1040781938 /nfs/dbraw/zinc/78/19/38/1040781938.db2.gz PCXRYHNFTCKANJ-BEFAXECRSA-N -1 3 321.436 3.993 20 0 DHADHM O=C([O-])c1cccc2c1CCN(CCc1ccc(Cl)cc1)C2 ZINC000082797457 185204915 /nfs/dbraw/zinc/20/49/15/185204915.db2.gz GPCJLZFXYZFECA-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CC(C)c1cnc(CNC[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000417546030 334961792 /nfs/dbraw/zinc/96/17/92/334961792.db2.gz LDUVJUKFISRQIQ-CQSZACIVSA-N -1 3 318.442 3.615 20 0 DHADHM Cc1ccc(-c2csc3[n-]c(COC(C)C)nc(=O)c23)cc1 ZINC000080715621 192184432 /nfs/dbraw/zinc/18/44/32/192184432.db2.gz BGQRMPPOETZIML-UHFFFAOYSA-N -1 3 314.410 3.885 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000417573914 334994580 /nfs/dbraw/zinc/99/45/80/334994580.db2.gz IDIWVTBASDNHPF-UFBFGSQYSA-N -1 3 308.230 3.788 20 0 DHADHM CCCC[C@@H](NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000417602541 335003618 /nfs/dbraw/zinc/00/36/18/335003618.db2.gz VQECVVJBLKUDSD-LLVKDONJSA-N -1 3 321.751 3.674 20 0 DHADHM CCC(CC)n1nccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182906380 335004661 /nfs/dbraw/zinc/00/46/61/335004661.db2.gz KBRKDIMVSKFQQS-UHFFFAOYSA-N -1 3 313.401 3.543 20 0 DHADHM CSc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417612536 335011267 /nfs/dbraw/zinc/01/12/67/335011267.db2.gz BZHIXTSJXFEXKU-SJORKVTESA-N -1 3 313.422 3.811 20 0 DHADHM O=C([O-])CC[C@H]1CCCC[C@@H]1NCc1ccsc1Cl ZINC000417626115 335015671 /nfs/dbraw/zinc/01/56/71/335015671.db2.gz MSEJZQYCLMONEX-PWSUYJOCSA-N -1 3 301.839 3.915 20 0 DHADHM CCCc1csc(CN[C@@H]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000417626094 335015682 /nfs/dbraw/zinc/01/56/82/335015682.db2.gz MQUGBXXVSFVSDE-GXTWGEPZSA-N -1 3 310.463 3.609 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000417627654 335016559 /nfs/dbraw/zinc/01/65/59/335016559.db2.gz SPCHWBQSOLZBBT-ZDUSSCGKSA-N -1 3 304.415 3.543 20 0 DHADHM Cc1ccc(-c2ccc(CNC[C@@H](CC(=O)[O-])C(F)F)o2)cc1 ZINC000417623497 335017965 /nfs/dbraw/zinc/01/79/65/335017965.db2.gz MZONGDNIAZTRQP-CYBMUJFWSA-N -1 3 323.339 3.701 20 0 DHADHM O=S(=O)([N-]C1CCCCC1)c1cccc(Cl)c1Cl ZINC000016089079 182032580 /nfs/dbraw/zinc/03/25/80/182032580.db2.gz OXOMTOZXSNOPHS-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM COc1cccc(Cl)c1CN[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000417640409 335025797 /nfs/dbraw/zinc/02/57/97/335025797.db2.gz XYFHQVFZFOTVSN-CYBMUJFWSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1cc(C)c(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1C ZINC000417652399 335028303 /nfs/dbraw/zinc/02/83/03/335028303.db2.gz ZKURDONCJWJFKT-UHFFFAOYSA-N -1 3 319.351 3.878 20 0 DHADHM COc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000135403220 335033480 /nfs/dbraw/zinc/03/34/80/335033480.db2.gz HSNXXXWDMLHMOY-VHSXEESVSA-N -1 3 317.307 3.708 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442939527 338439843 /nfs/dbraw/zinc/43/98/43/338439843.db2.gz JFGWWORMNYFXIF-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]2CCCC[C@@H]12 ZINC000272799560 130065017 /nfs/dbraw/zinc/06/50/17/130065017.db2.gz AKLLUVKHZMPZFK-IGCXYCKISA-N -1 3 310.397 3.591 20 0 DHADHM CCCc1nnc([N-]C(=O)c2ccc(F)c(Cl)c2F)s1 ZINC000273668707 130151515 /nfs/dbraw/zinc/15/15/15/130151515.db2.gz XHIWLMOOYQNZRG-UHFFFAOYSA-N -1 3 317.748 3.675 20 0 DHADHM Cc1cccc(-c2nc(Cc3csc(C(C)C)n3)no2)c1[O-] ZINC000273979621 130194092 /nfs/dbraw/zinc/19/40/92/130194092.db2.gz XPCUNIQEKNEBFR-UHFFFAOYSA-N -1 3 315.398 3.921 20 0 DHADHM Cc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c(C(F)(F)F)o1 ZINC000274505242 130241159 /nfs/dbraw/zinc/24/11/59/130241159.db2.gz LPZYKVJWHFUQJQ-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM CCCCn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1 ZINC000274690934 130255160 /nfs/dbraw/zinc/25/51/60/130255160.db2.gz UUOSHLBITRTLQN-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM CCOC(=O)c1ccc(NC(=O)c2occc2C(C)C)c([O-])c1 ZINC000285776498 131201951 /nfs/dbraw/zinc/20/19/51/131201951.db2.gz WKDCGTXDZUKGML-UHFFFAOYSA-N -1 3 317.341 3.538 20 0 DHADHM CCc1c([N-]C(=O)c2ccoc2Cl)onc1C(F)(F)F ZINC000287696881 131295264 /nfs/dbraw/zinc/29/52/64/131295264.db2.gz CUOWGLKDFMZFLV-UHFFFAOYSA-N -1 3 308.643 3.755 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000288981198 131350167 /nfs/dbraw/zinc/35/01/67/131350167.db2.gz XUTNARDNURNFNN-SNVBAGLBSA-N -1 3 323.443 3.827 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ocnc2C2CC2)c1 ZINC000289278752 131371282 /nfs/dbraw/zinc/37/12/82/131371282.db2.gz FVYHCNUMOOYHDZ-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM CCCN(CCc1ccccn1)C(=O)c1cc([O-])ccc1Cl ZINC000289568513 131396768 /nfs/dbraw/zinc/39/67/68/131396768.db2.gz DDOQKANKMNWKFM-UHFFFAOYSA-N -1 3 318.804 3.536 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000294684641 131852906 /nfs/dbraw/zinc/85/29/06/131852906.db2.gz VEXIOLLXEWGVIB-BDJLRTHQSA-N -1 3 317.410 3.651 20 0 DHADHM CCOc1cc(CNc2ccc3n[nH]cc3c2)cc(Cl)c1[O-] ZINC000340561756 132003304 /nfs/dbraw/zinc/00/33/04/132003304.db2.gz UEHNPFFEIJPVGT-UHFFFAOYSA-N -1 3 317.776 3.933 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000297794361 132034984 /nfs/dbraw/zinc/03/49/84/132034984.db2.gz JODNXJYMOYWYLK-LLVKDONJSA-N -1 3 322.411 3.511 20 0 DHADHM Cc1cccc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)c1C ZINC000298800544 132078077 /nfs/dbraw/zinc/07/80/77/132078077.db2.gz DXRYEUKWYYALGG-LBPRGKRZSA-N -1 3 313.426 3.865 20 0 DHADHM O=c1[n-]c(SC2CCCC2)nc2c1cnn2-c1ccccc1 ZINC000299593551 132112698 /nfs/dbraw/zinc/11/26/98/132112698.db2.gz FHMIKEMXRLGCSV-UHFFFAOYSA-N -1 3 312.398 3.556 20 0 DHADHM CC(C)C[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442943964 338439959 /nfs/dbraw/zinc/43/99/59/338439959.db2.gz MYDBEXSSUCVMEG-SECBINFHSA-N -1 3 305.296 3.912 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2cc3[nH]ccc3s2)s1 ZINC000617094863 435367052 /nfs/dbraw/zinc/36/70/52/435367052.db2.gz YHMKHBJORVRTDC-UHFFFAOYSA-N -1 3 320.443 3.922 20 0 DHADHM CCCc1nc(C)c(C[N-]c2nc(-c3ccc(C)cc3)no2)o1 ZINC000516902757 435560463 /nfs/dbraw/zinc/56/04/63/435560463.db2.gz BCRLGLMZCAHSIC-UHFFFAOYSA-N -1 3 312.373 3.906 20 0 DHADHM COc1cccc(-c2nc(-c3ccccc3Cl)no2)c1[O-] ZINC000109037541 331504676 /nfs/dbraw/zinc/50/46/76/331504676.db2.gz BXZNFIGBUQAUOO-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)nc2ccccc12 ZINC000182905132 331554264 /nfs/dbraw/zinc/55/42/64/331554264.db2.gz TWEFHXYBDZYDHF-UHFFFAOYSA-N -1 3 318.376 3.842 20 0 DHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000180743731 331576784 /nfs/dbraw/zinc/57/67/84/331576784.db2.gz QOBBFOUCKLKNQP-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(NC(=O)Cc2cccc(Br)c2)c([O-])c1 ZINC000050041656 331593511 /nfs/dbraw/zinc/59/35/11/331593511.db2.gz IHIMFNYYOFYHHH-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000530658266 331616095 /nfs/dbraw/zinc/61/60/95/331616095.db2.gz YIWJCQKSXQYXNQ-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000530885951 331632701 /nfs/dbraw/zinc/63/27/01/331632701.db2.gz RGDATNSZIPCZDO-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC000558306111 331895414 /nfs/dbraw/zinc/89/54/14/331895414.db2.gz YRZZLDSYEUPDCJ-KRWDZBQOSA-N -1 3 309.409 3.974 20 0 DHADHM O=C([C@H]1CCCc2sccc21)N1CCCc2cccc([O-])c21 ZINC000130049594 332022251 /nfs/dbraw/zinc/02/22/51/332022251.db2.gz ZIHIFEGUXMDSAH-AWEZNQCLSA-N -1 3 313.422 3.853 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c([O-])c1 ZINC000089222658 332064806 /nfs/dbraw/zinc/06/48/06/332064806.db2.gz GQPMVLUSAMEBNP-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C([O-])c1occc1CN1CCC[C@H]1Cc1ccccc1Cl ZINC000569492248 332102342 /nfs/dbraw/zinc/10/23/42/332102342.db2.gz KPZLVZROYRKIRL-AWEZNQCLSA-N -1 3 319.788 3.838 20 0 DHADHM CC1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000518733290 332138499 /nfs/dbraw/zinc/13/84/99/332138499.db2.gz HYTKMGKIBVUOLL-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)cc1 ZINC000426807495 332151814 /nfs/dbraw/zinc/15/18/14/332151814.db2.gz NTGFIQPJWHFVJL-SFHVURJKSA-N -1 3 313.397 3.563 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000426781784 332152674 /nfs/dbraw/zinc/15/26/74/332152674.db2.gz BVNYGVFTMFGTDB-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1cc(Cl)ccc1F ZINC000426786100 332153392 /nfs/dbraw/zinc/15/33/92/332153392.db2.gz SPZHDPZTFMJOTO-INIZCTEOSA-N -1 3 321.779 3.655 20 0 DHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2)c1 ZINC000426787490 332153701 /nfs/dbraw/zinc/15/37/01/332153701.db2.gz FCUBBUFFMSRZGC-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM O=C([O-])[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccsc1 ZINC000426791349 332153927 /nfs/dbraw/zinc/15/39/27/332153927.db2.gz IAKDAXXQPLUEDT-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM CC(C)(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426830987 332156194 /nfs/dbraw/zinc/15/61/94/332156194.db2.gz CGZFLPMKVLMIAP-OAHLLOKOSA-N -1 3 303.427 3.961 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000426816226 332157331 /nfs/dbraw/zinc/15/73/31/332157331.db2.gz JKYSLNCEZYNMAH-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000426820004 332157747 /nfs/dbraw/zinc/15/77/47/332157747.db2.gz XDODYGMMVUMVHN-MRXNPFEDSA-N -1 3 303.789 3.818 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4ccncc43)n[n-]2)o1 ZINC000531041914 332224873 /nfs/dbraw/zinc/22/48/73/332224873.db2.gz AJAHSPPOMHVZIH-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4ccncc43)[n-]n2)o1 ZINC000531041914 332224874 /nfs/dbraw/zinc/22/48/74/332224874.db2.gz AJAHSPPOMHVZIH-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cccs2)c1F ZINC000536415523 332240704 /nfs/dbraw/zinc/24/07/04/332240704.db2.gz ZKBZXWSQDJICCL-UHFFFAOYSA-N -1 3 323.773 3.789 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1cc([O-])ccc1Cl)C[C@@H](C)O2 ZINC000560162417 332315829 /nfs/dbraw/zinc/31/58/29/332315829.db2.gz QXTIHGCOIMNUAX-LLVKDONJSA-N -1 3 317.772 3.782 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1cc([O-])ccc1Cl)C[C@H](C)O2 ZINC000560162421 332315872 /nfs/dbraw/zinc/31/58/72/332315872.db2.gz QXTIHGCOIMNUAX-NSHDSACASA-N -1 3 317.772 3.782 20 0 DHADHM COc1c2ccccc2[nH]c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000560613159 332368367 /nfs/dbraw/zinc/36/83/67/332368367.db2.gz CPMUUZWKCNBQBO-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000560636486 332371889 /nfs/dbraw/zinc/37/18/89/332371889.db2.gz XFEDBYJQLSYIOS-HNNXBMFYSA-N -1 3 317.772 3.641 20 0 DHADHM Cc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)c([O-])c1 ZINC000583388504 332380758 /nfs/dbraw/zinc/38/07/58/332380758.db2.gz KFNNCRWXZZUMBY-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1csc(-c2cccs2)n1 ZINC000531134799 332628349 /nfs/dbraw/zinc/62/83/49/332628349.db2.gz JJANYFBOYNJQNW-UHFFFAOYSA-N -1 3 320.370 3.969 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c([O-])c1 ZINC000171230726 332642845 /nfs/dbraw/zinc/64/28/45/332642845.db2.gz TXWMEWGBNLUFJX-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1 ZINC000182624843 333043740 /nfs/dbraw/zinc/04/37/40/333043740.db2.gz BSJCPEVZIFNORP-KRWDZBQOSA-N -1 3 311.381 3.692 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181871468 333135452 /nfs/dbraw/zinc/13/54/52/333135452.db2.gz AWHGJBASJUWKSF-NNNHXZLVSA-N -1 3 316.788 3.673 20 0 DHADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462111826 333141183 /nfs/dbraw/zinc/14/11/83/333141183.db2.gz OEUARWJNQNRUBK-UHFFFAOYSA-N -1 3 315.382 3.624 20 0 DHADHM CCCOc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c(C)c1 ZINC000181911673 333147508 /nfs/dbraw/zinc/14/75/08/333147508.db2.gz WUTCLXLIQPWBSG-QPJJXVBHSA-N -1 3 312.369 3.536 20 0 DHADHM Clc1ccccc1CCSc1n[n-]c(-c2ccccn2)n1 ZINC000522684945 333165240 /nfs/dbraw/zinc/16/52/40/333165240.db2.gz DOQSQYYLPNVPJV-UHFFFAOYSA-N -1 3 316.817 3.855 20 0 DHADHM CCOc1cc(Cl)ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000182509017 335128223 /nfs/dbraw/zinc/12/82/23/335128223.db2.gz LETVZXHWPJDSJB-UHFFFAOYSA-N -1 3 323.751 3.513 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1cccc(C)c1[O-] ZINC000184134939 333342182 /nfs/dbraw/zinc/34/21/82/333342182.db2.gz ADNXWVXENVYJMV-UHFFFAOYSA-N -1 3 303.427 3.857 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1[O-] ZINC000531355485 333345624 /nfs/dbraw/zinc/34/56/24/333345624.db2.gz BRFORBKYGDWRHS-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CC(C)c1ccccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000531373254 333347205 /nfs/dbraw/zinc/34/72/05/333347205.db2.gz MMELHUWLEKBNTG-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM O=C(Cc1cccc(Cl)c1)N1CCCc2cccc([O-])c21 ZINC000063063953 333391796 /nfs/dbraw/zinc/39/17/96/333391796.db2.gz KYKJWEVKWOXMHW-UHFFFAOYSA-N -1 3 301.773 3.568 20 0 DHADHM CCC(C)(C)[C@@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000563147369 333396839 /nfs/dbraw/zinc/39/68/39/333396839.db2.gz PAILIHXPFSWRHO-AWEZNQCLSA-N -1 3 318.442 3.789 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc2ccccc2c(=O)[nH]1 ZINC000570976539 333473064 /nfs/dbraw/zinc/47/30/64/333473064.db2.gz WMGSANPUQYRTMZ-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CO[C@](C)(c1noc(-c2ccc3c(c2[O-])CCCC3)n1)C1CC1 ZINC000571010306 333478831 /nfs/dbraw/zinc/47/88/31/333478831.db2.gz PKJYDOFPJOENNH-SFHVURJKSA-N -1 3 314.385 3.593 20 0 DHADHM CC(C)Oc1ccccc1CNCCc1ccccc1C(=O)[O-] ZINC000426643551 333510860 /nfs/dbraw/zinc/51/08/60/333510860.db2.gz QJEMOOIUOMEEMU-UHFFFAOYSA-N -1 3 313.397 3.504 20 0 DHADHM O=C([O-])C[C@H](CNCc1c(F)cccc1Cl)c1ccccc1 ZINC000426635126 333511629 /nfs/dbraw/zinc/51/16/29/333511629.db2.gz UUOLTZYRVMELKR-CYBMUJFWSA-N -1 3 321.779 3.827 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000410895367 333604836 /nfs/dbraw/zinc/60/48/36/333604836.db2.gz FNQGBXWTMUTSAS-JTQLQIEISA-N -1 3 322.411 3.511 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000563642614 333644891 /nfs/dbraw/zinc/64/48/91/333644891.db2.gz XGTLYQDFGFBTAF-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])ccc2Cl)o1 ZINC000571210789 333684735 /nfs/dbraw/zinc/68/47/35/333684735.db2.gz MVPRNCAALLWKHO-SKDRFNHKSA-N -1 3 305.761 3.692 20 0 DHADHM CC[C@H](C)n1nc(C(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000571297295 333715045 /nfs/dbraw/zinc/71/50/45/333715045.db2.gz IKCUOCRCHOAVPL-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1[O-] ZINC000412290422 333744419 /nfs/dbraw/zinc/74/44/19/333744419.db2.gz IXELMLMQXFBHBJ-UHFFFAOYSA-N -1 3 316.382 3.571 20 0 DHADHM CCN(Cc1occc1C)C(=O)Cc1ccc([O-])cc1Cl ZINC000412787102 333798850 /nfs/dbraw/zinc/79/88/50/333798850.db2.gz CTOBODOOBKWJDU-UHFFFAOYSA-N -1 3 307.777 3.538 20 0 DHADHM Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000436835760 334004588 /nfs/dbraw/zinc/00/45/88/334004588.db2.gz WZFTYCMYZQQKNS-KRWDZBQOSA-N -1 3 309.409 3.947 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@H](C)c2nccs2)c([O-])c1 ZINC000436979175 334023428 /nfs/dbraw/zinc/02/34/28/334023428.db2.gz JRAICRXUYJQVIE-NSHDSACASA-N -1 3 304.415 3.506 20 0 DHADHM COc1ccc(-c2ccccc2)cc1CN(C)CCCC(=O)[O-] ZINC000414643077 334052632 /nfs/dbraw/zinc/05/26/32/334052632.db2.gz WUSXWPVLLFLMDT-UHFFFAOYSA-N -1 3 313.397 3.659 20 0 DHADHM O=C([O-])CCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000414675876 334066956 /nfs/dbraw/zinc/06/69/56/334066956.db2.gz GLITYGIOJTZQQJ-UHFFFAOYSA-N -1 3 307.777 3.945 20 0 DHADHM O=C([O-])CCCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000414678881 334067463 /nfs/dbraw/zinc/06/74/63/334067463.db2.gz JWRRNDUGDINPJP-UHFFFAOYSA-N -1 3 309.312 3.569 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CNCCCCC(=O)[O-])o1 ZINC000414684064 334068371 /nfs/dbraw/zinc/06/83/71/334068371.db2.gz QIWIJYMJMDJYRO-UHFFFAOYSA-N -1 3 305.349 3.739 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000276359395 334076167 /nfs/dbraw/zinc/07/61/67/334076167.db2.gz PIBDOJCLVVEDTO-ZDUSSCGKSA-N -1 3 315.335 3.758 20 0 DHADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccccc1-c1cccs1 ZINC000276372026 334076390 /nfs/dbraw/zinc/07/63/90/334076390.db2.gz JVNWMQOANCCSQE-LBPRGKRZSA-N -1 3 318.398 3.505 20 0 DHADHM Clc1cc(-c2nc(CCC3CCOCC3)no2)[n-]c1Cl ZINC000293157031 334196015 /nfs/dbraw/zinc/19/60/15/334196015.db2.gz LIMVBZHVALEGLX-UHFFFAOYSA-N -1 3 316.188 3.731 20 0 DHADHM CC(C)c1nc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)no1 ZINC000295064506 334216502 /nfs/dbraw/zinc/21/65/02/334216502.db2.gz AFYALWKTVMEXQI-GFCCVEGCSA-N -1 3 323.343 3.514 20 0 DHADHM O=C(Nc1cnc2ccccc2c1)c1cn[n-]c1-c1ccsc1 ZINC000187471588 334222782 /nfs/dbraw/zinc/22/27/82/334222782.db2.gz HLPWXNZWZKYTJU-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM O=C(Nc1cnc2ccccc2c1)c1c[n-]nc1-c1ccsc1 ZINC000187471588 334222783 /nfs/dbraw/zinc/22/27/83/334222783.db2.gz HLPWXNZWZKYTJU-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM CC1(C)C[C@H](NCc2cc([O-])cc(F)c2)c2cc(N)ccc2O1 ZINC000415034053 334260348 /nfs/dbraw/zinc/26/03/48/334260348.db2.gz KTDMEXRAEXKMPN-INIZCTEOSA-N -1 3 316.376 3.506 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000124654849 334263368 /nfs/dbraw/zinc/26/33/68/334263368.db2.gz YEJIJJJRVUTLCZ-CQSZACIVSA-N -1 3 313.397 3.933 20 0 DHADHM O=C(Nc1ccc2[nH]ccc2c1)c1cn[n-]c1-c1ccsc1 ZINC000187564875 334265297 /nfs/dbraw/zinc/26/52/97/334265297.db2.gz CMNSFEQKNUOWIP-UHFFFAOYSA-N -1 3 308.366 3.872 20 0 DHADHM O=C(Nc1ccc2[nH]ccc2c1)c1c[n-]nc1-c1ccsc1 ZINC000187564875 334265298 /nfs/dbraw/zinc/26/52/98/334265298.db2.gz CMNSFEQKNUOWIP-UHFFFAOYSA-N -1 3 308.366 3.872 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1F ZINC000048653013 334290946 /nfs/dbraw/zinc/29/09/46/334290946.db2.gz WQVNGMKIQMADPR-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000048931119 334302625 /nfs/dbraw/zinc/30/26/25/334302625.db2.gz CTIMQHYIVBWOND-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM [O-]c1ccc(-c2nc3cc(Br)ccc3s2)nc1 ZINC000534637493 334310041 /nfs/dbraw/zinc/31/00/41/334310041.db2.gz QVWUKIPPZCZGTF-UHFFFAOYSA-N -1 3 307.172 3.826 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000111660023 334351590 /nfs/dbraw/zinc/35/15/90/334351590.db2.gz VOKQSLDBERTRMS-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000532017786 334373681 /nfs/dbraw/zinc/37/36/81/334373681.db2.gz VXTZWLYINZCKTD-HNNXBMFYSA-N -1 3 317.429 3.566 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccccc1CCC(F)(F)F ZINC000341906597 334490737 /nfs/dbraw/zinc/49/07/37/334490737.db2.gz ZDHRAWMXTHRRDR-UHFFFAOYSA-N -1 3 310.275 3.534 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C(C1CC1)C1CC1 ZINC000443561999 338454730 /nfs/dbraw/zinc/45/47/30/338454730.db2.gz BZZYZKITDDNWJU-UHFFFAOYSA-N -1 3 315.291 3.666 20 0 DHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C2CC2)cc1 ZINC000416290441 334656703 /nfs/dbraw/zinc/65/67/03/334656703.db2.gz LZGZSQCWVPHYBA-LBPRGKRZSA-N -1 3 313.372 3.829 20 0 DHADHM Cc1nc2ccc(NCc3cc(=O)[n-]c(C4CC4)n3)cc2s1 ZINC000416997176 334688059 /nfs/dbraw/zinc/68/80/59/334688059.db2.gz KCOSJKXQTVREAR-UHFFFAOYSA-N -1 3 312.398 3.590 20 0 DHADHM CCc1ncsc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000165214255 334862251 /nfs/dbraw/zinc/86/22/51/334862251.db2.gz KXDLQCOVUNRYLI-UHFFFAOYSA-N -1 3 313.382 3.520 20 0 DHADHM CC(C)COc1ncccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000343801498 335193894 /nfs/dbraw/zinc/19/38/94/335193894.db2.gz JPIWJFLPUBVXHL-UHFFFAOYSA-N -1 3 320.776 3.728 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2c(F)cccc2c1 ZINC000343890893 335203855 /nfs/dbraw/zinc/20/38/55/335203855.db2.gz VTFHBXXUIQKHOM-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CO[C@@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000343900937 335204455 /nfs/dbraw/zinc/20/44/55/335204455.db2.gz XRAMQJRGRXGVEP-GXSJLCMTSA-N -1 3 317.307 3.555 20 0 DHADHM CC[C@@]1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000344221300 335229785 /nfs/dbraw/zinc/22/97/85/335229785.db2.gz PMBXSGYABCTBPY-SFHVURJKSA-N -1 3 311.385 3.704 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCCc2occc21 ZINC000344496485 335256673 /nfs/dbraw/zinc/25/66/73/335256673.db2.gz JKIBNQDWRFLDQD-OAHLLOKOSA-N -1 3 317.360 3.641 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)c2c([O-])cccc21 ZINC000345165379 335308348 /nfs/dbraw/zinc/30/83/48/335308348.db2.gz SDXCZZQPYIUQNH-GFCCVEGCSA-N -1 3 309.365 3.576 20 0 DHADHM CCCC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCC1 ZINC000345626289 335337856 /nfs/dbraw/zinc/33/78/56/335337856.db2.gz OYNTVKQHARBUTQ-UHFFFAOYSA-N -1 3 302.353 3.520 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)n1 ZINC000345925515 335361145 /nfs/dbraw/zinc/36/11/45/335361145.db2.gz KADRLICABWNLAV-SECBINFHSA-N -1 3 306.312 3.506 20 0 DHADHM Cc1cncc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)c1 ZINC000345917911 335365236 /nfs/dbraw/zinc/36/52/36/335365236.db2.gz GVFJMRWTJBHEIB-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000345922727 335365704 /nfs/dbraw/zinc/36/57/04/335365704.db2.gz FZAVMAPKRIVFDN-OAHLLOKOSA-N -1 3 302.349 3.613 20 0 DHADHM CCOc1nc2cc(C(=O)N(CC)C3CCCCC3)ccc2[n-]1 ZINC000346150707 335382149 /nfs/dbraw/zinc/38/21/49/335382149.db2.gz MIYMOXMTJQDKHQ-UHFFFAOYSA-N -1 3 315.417 3.756 20 0 DHADHM CCOc1nc2ccc(C(=O)N(CC)C3CCCCC3)cc2[n-]1 ZINC000346150707 335382151 /nfs/dbraw/zinc/38/21/51/335382151.db2.gz MIYMOXMTJQDKHQ-UHFFFAOYSA-N -1 3 315.417 3.756 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3C)ccc2[n-]1 ZINC000346162272 335383566 /nfs/dbraw/zinc/38/35/66/335383566.db2.gz YUJPZKKWYNVKEK-WBMJQRKESA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3C)cc2[n-]1 ZINC000346162272 335383568 /nfs/dbraw/zinc/38/35/68/335383568.db2.gz YUJPZKKWYNVKEK-WBMJQRKESA-N -1 3 315.417 3.612 20 0 DHADHM Cc1cccc(-c2ccc(CNC(=O)c3csc(=O)[n-]3)cc2)c1 ZINC000348902471 335617292 /nfs/dbraw/zinc/61/72/92/335617292.db2.gz TYRWHUMKOSNOBK-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM CCCC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(OC)cc1 ZINC000349510533 335677955 /nfs/dbraw/zinc/67/79/55/335677955.db2.gz SNEJQLXAVAMMGB-ZDUSSCGKSA-N -1 3 320.414 3.519 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3COc4ccccc4O3)no2)c([O-])c1C ZINC000445484901 338496689 /nfs/dbraw/zinc/49/66/89/338496689.db2.gz YOHFBBGOLWYXES-HNNXBMFYSA-N -1 3 324.336 3.572 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1c2c(nc3ccccc31)CCC2 ZINC000536222302 335831705 /nfs/dbraw/zinc/83/17/05/335831705.db2.gz VWKYBCPUOHSOPY-UHFFFAOYSA-N -1 3 322.339 3.821 20 0 DHADHM Cc1ccc(-c2ccsc2C(=O)[N-]c2nncs2)cc1 ZINC000041909147 335930122 /nfs/dbraw/zinc/93/01/22/335930122.db2.gz XDVOUNIDEARUFF-UHFFFAOYSA-N -1 3 301.396 3.827 20 0 DHADHM Cc1ccc(NC(=O)c2cccc(Br)c2F)c([O-])c1 ZINC000192043459 336016867 /nfs/dbraw/zinc/01/68/67/336016867.db2.gz BXJZQQVYWBZTID-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc([O-])ccc1Cl ZINC000351528998 336040619 /nfs/dbraw/zinc/04/06/19/336040619.db2.gz HOSTXXSHBCHHTN-ZDUSSCGKSA-N -1 3 311.715 3.782 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnn1C1CCCC1 ZINC000331996097 336155395 /nfs/dbraw/zinc/15/53/95/336155395.db2.gz MJEHQEXHCBGGAX-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c2c([O-])cccc21 ZINC000332213221 336163121 /nfs/dbraw/zinc/16/31/21/336163121.db2.gz JKRRWZVTHQYRBK-FRRDWIJNSA-N -1 3 316.401 3.574 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332336072 336168892 /nfs/dbraw/zinc/16/88/92/336168892.db2.gz QCHVPPPJDWXTRN-JSGCOSHPSA-N -1 3 321.808 3.759 20 0 DHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c[n-]c2ccccc2c1=O ZINC000332794401 336185110 /nfs/dbraw/zinc/18/51/10/336185110.db2.gz HNTXWHWRJZDIRD-SOUVJXGZSA-N -1 3 324.424 3.617 20 0 DHADHM CCN(Cc1cc([O-])cc(F)c1)Cc1ccc(OC)cc1OC ZINC000352010698 336188603 /nfs/dbraw/zinc/18/86/03/336188603.db2.gz IEBQFSRJKNFAMR-UHFFFAOYSA-N -1 3 319.376 3.571 20 0 DHADHM CCc1nc(C)c(NC(=O)c2c[n-]nc2-c2ccccc2)s1 ZINC000352204069 336202181 /nfs/dbraw/zinc/20/21/81/336202181.db2.gz CEOWDUXTTNNPSY-UHFFFAOYSA-N -1 3 312.398 3.656 20 0 DHADHM CC(C)[C@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000333639161 336207643 /nfs/dbraw/zinc/20/76/43/336207643.db2.gz SBZLTEQUNMURRW-MRXNPFEDSA-N -1 3 320.408 3.642 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000042253201 336238001 /nfs/dbraw/zinc/23/80/01/336238001.db2.gz PKKBEWFUYMTICD-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM COc1ccc(C)nc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352837633 336273089 /nfs/dbraw/zinc/27/30/89/336273089.db2.gz OVAKQWGJAJLVQM-UHFFFAOYSA-N -1 3 312.291 3.735 20 0 DHADHM CC(C)Cn1nccc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352841623 336275243 /nfs/dbraw/zinc/27/52/43/336275243.db2.gz USZCNAYKXJTBAI-UHFFFAOYSA-N -1 3 313.323 3.876 20 0 DHADHM COc1cccc(C)c1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000192953850 336285917 /nfs/dbraw/zinc/28/59/17/336285917.db2.gz PLLLPGLOIWDBKU-UHFFFAOYSA-N -1 3 311.341 3.547 20 0 DHADHM COc1cccc(C)c1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000192953850 336285918 /nfs/dbraw/zinc/28/59/18/336285918.db2.gz PLLLPGLOIWDBKU-UHFFFAOYSA-N -1 3 311.341 3.547 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H](C)C3)nc2)n1 ZINC000301190146 336294125 /nfs/dbraw/zinc/29/41/25/336294125.db2.gz VUQOWQZJKLBABJ-SWLSCSKDSA-N -1 3 312.417 3.797 20 0 DHADHM COc1cc(F)c([C@H](C)[N-]c2nc(C(C)C)no2)cc1OC ZINC000301320524 336300512 /nfs/dbraw/zinc/30/05/12/336300512.db2.gz FZNDVEPFZWWNAY-VIFPVBQESA-N -1 3 309.341 3.522 20 0 DHADHM CC(C)c1noc([N-][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000301722443 336325694 /nfs/dbraw/zinc/32/56/94/336325694.db2.gz KJCGGPQXKQNBEG-HNNXBMFYSA-N -1 3 317.389 3.773 20 0 DHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c(C(F)(F)F)o1 ZINC000353779671 336440292 /nfs/dbraw/zinc/44/02/92/336440292.db2.gz OWHPVGASEPNMQS-UHFFFAOYSA-N -1 3 303.211 3.704 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CCc2nccs2)C(C)C)c1 ZINC000354888499 336486587 /nfs/dbraw/zinc/48/65/87/336486587.db2.gz IQYUIJAMVCVXAB-UHFFFAOYSA-N -1 3 318.442 3.504 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(C)s1 ZINC000356779590 336560654 /nfs/dbraw/zinc/56/06/54/336560654.db2.gz NJVIOLHCSCCZIP-UHFFFAOYSA-N -1 3 321.345 3.583 20 0 DHADHM CC(C)OCc1cc(NC(=O)c2ccc(Cl)o2)ccc1[O-] ZINC000356826022 336562126 /nfs/dbraw/zinc/56/21/26/336562126.db2.gz AJPOUJUNYJNBGX-UHFFFAOYSA-N -1 3 309.749 3.816 20 0 DHADHM CN(CCCOc1ccc(Cl)cc1)C(=O)c1cccc([O-])c1 ZINC000357184806 336576228 /nfs/dbraw/zinc/57/62/28/336576228.db2.gz ICDLUAZSXLOUMT-UHFFFAOYSA-N -1 3 319.788 3.587 20 0 DHADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cccc([O-])c1 ZINC000357368905 336582810 /nfs/dbraw/zinc/58/28/10/336582810.db2.gz IPEOKDOGRYSADQ-LBPRGKRZSA-N -1 3 324.163 3.563 20 0 DHADHM COc1cc(C(=O)N[C@@H](C)c2cc(C)sc2C)ccc1[O-] ZINC000357581379 336591257 /nfs/dbraw/zinc/59/12/57/336591257.db2.gz KRYBLHZQNDDKTM-JTQLQIEISA-N -1 3 305.399 3.570 20 0 DHADHM CC(C)[C@@H]1N(C(=O)Cc2ccc([O-])cc2Cl)CC12CCC2 ZINC000359194681 336662360 /nfs/dbraw/zinc/66/23/60/336662360.db2.gz ABABJXDCGZVBDE-INIZCTEOSA-N -1 3 307.821 3.625 20 0 DHADHM O=C([N-]c1cccc2cccnc21)c1cc(-c2ccccn2)no1 ZINC000360168613 336703419 /nfs/dbraw/zinc/70/34/19/336703419.db2.gz FYPMZIIVRGGACA-UHFFFAOYSA-N -1 3 316.320 3.537 20 0 DHADHM Cc1ncn(-c2ccc(NCc3nc(C)ccc3[O-])cc2)c1C ZINC000361239785 336746342 /nfs/dbraw/zinc/74/63/42/336746342.db2.gz YCCZWLVCGKYJLS-UHFFFAOYSA-N -1 3 308.385 3.510 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cn2ccccc2n1 ZINC000362185378 336787246 /nfs/dbraw/zinc/78/72/46/336787246.db2.gz VWBCLAVYPQSQSX-UHFFFAOYSA-N -1 3 315.373 3.838 20 0 DHADHM Cc1cc(C2CC2)nc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000362262912 336790106 /nfs/dbraw/zinc/79/01/06/336790106.db2.gz PTAPCONOYVAHDH-UHFFFAOYSA-N -1 3 320.352 3.570 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000368094514 336837759 /nfs/dbraw/zinc/83/77/59/336837759.db2.gz SENSZLBXQBMAGH-LBPRGKRZSA-N -1 3 317.772 3.859 20 0 DHADHM CCC(CC)n1ncc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000121847367 336981549 /nfs/dbraw/zinc/98/15/49/336981549.db2.gz DFJRFMALPAKYLO-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM COc1ccc(N(C)C(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000521448388 336998530 /nfs/dbraw/zinc/99/85/30/336998530.db2.gz GYRVTNXAQRHPSS-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM O=c1[n-]nc(CN2CCCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000375338636 337008419 /nfs/dbraw/zinc/00/84/19/337008419.db2.gz SDXAEDXAWVLYHV-GFCCVEGCSA-N -1 3 309.822 3.624 20 0 DHADHM O=c1cc(CN2CCCC23CCC3)c2cc(Cl)c([O-])cc2o1 ZINC000375701793 337017122 /nfs/dbraw/zinc/01/71/22/337017122.db2.gz FBYZBRDDPKKMLA-UHFFFAOYSA-N -1 3 319.788 3.671 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1occ2c1CCOC2 ZINC000376013062 337025264 /nfs/dbraw/zinc/02/52/64/337025264.db2.gz MAMUHYVZECRDBP-UHFFFAOYSA-N -1 3 324.336 3.568 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000426752996 337044959 /nfs/dbraw/zinc/04/49/59/337044959.db2.gz BUFVFWHZJAHZOP-FZKQIMNGSA-N -1 3 309.365 3.984 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000426752997 337044993 /nfs/dbraw/zinc/04/49/93/337044993.db2.gz BUFVFWHZJAHZOP-SCLBCKFNSA-N -1 3 309.365 3.984 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1Cc2cccc(Cl)c2C1 ZINC000377115841 337047069 /nfs/dbraw/zinc/04/70/69/337047069.db2.gz FCDWVXAOFQGEDI-UHFFFAOYSA-N -1 3 322.191 3.784 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(-c3ccccn3)cn2)c1F ZINC000378058904 337065734 /nfs/dbraw/zinc/06/57/34/337065734.db2.gz NIEMLBAWYVOTJZ-UHFFFAOYSA-N -1 3 313.307 3.740 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCCC[C@@H]1c1ccccc1 ZINC000194098234 337081681 /nfs/dbraw/zinc/08/16/81/337081681.db2.gz GVCHUJUCGLUBFV-QGZVFWFLSA-N -1 3 311.381 3.855 20 0 DHADHM O=C([O-])C1(CNCc2csc(-c3ccccc3)n2)CCCC1 ZINC000582462749 337092777 /nfs/dbraw/zinc/09/27/77/337092777.db2.gz BTFIDJVVHXSDHC-UHFFFAOYSA-N -1 3 316.426 3.545 20 0 DHADHM O=C(c1c[n-]nc1-c1ccccc1)N1CC2(CC2)c2ccccc21 ZINC000172409361 337128800 /nfs/dbraw/zinc/12/88/00/337128800.db2.gz AMLQINMNPAYZEB-UHFFFAOYSA-N -1 3 315.376 3.769 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1 ZINC000173355490 337134833 /nfs/dbraw/zinc/13/48/33/337134833.db2.gz GNIOZUIHXHHVAZ-WFASDCNBSA-N -1 3 315.369 3.607 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1C ZINC000175280627 337146605 /nfs/dbraw/zinc/14/66/05/337146605.db2.gz BMQUUKIFBQVVFR-UHFFFAOYSA-N -1 3 315.417 3.799 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c([O-])c1 ZINC000175465580 337147556 /nfs/dbraw/zinc/14/75/56/337147556.db2.gz LLQNQIQIKFZQPI-WFASDCNBSA-N -1 3 315.369 3.607 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1csc(-c2ccoc2)n1 ZINC000179547023 337170169 /nfs/dbraw/zinc/17/01/69/337170169.db2.gz IDKBOVWWNGXHSD-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM COc1cc(C(=O)Nc2c(C)cccc2[O-])ccc1OC(F)F ZINC000179552394 337170194 /nfs/dbraw/zinc/17/01/94/337170194.db2.gz DRWCJLRWLLCAMK-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM Cc1scc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1C ZINC000179839842 337172156 /nfs/dbraw/zinc/17/21/56/337172156.db2.gz NKKNGLMCEIKHHX-UHFFFAOYSA-N -1 3 316.361 3.541 20 0 DHADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000180857226 337178142 /nfs/dbraw/zinc/17/81/42/337178142.db2.gz GSUOSACFVKKZLI-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM O=C(c1cccc([O-])c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000181864088 337185061 /nfs/dbraw/zinc/18/50/61/337185061.db2.gz FNZYHNZMCLBTRN-UHFFFAOYSA-N -1 3 301.773 3.850 20 0 DHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc([O-])c1 ZINC000182315174 337187841 /nfs/dbraw/zinc/18/78/41/337187841.db2.gz JVLVALOWBQADHZ-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM CCSc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182379724 337188206 /nfs/dbraw/zinc/18/82/06/337188206.db2.gz LZSXLDOJNKFAHT-LBPRGKRZSA-N -1 3 301.411 3.995 20 0 DHADHM Cc1nc(-c2c[nH]c(C(=O)Nc3c(C)cccc3[O-])c2)cs1 ZINC000183032185 337191108 /nfs/dbraw/zinc/19/11/08/337191108.db2.gz WDBINRQSRSAMAK-UHFFFAOYSA-N -1 3 313.382 3.713 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000183067132 337191218 /nfs/dbraw/zinc/19/12/18/337191218.db2.gz CNTARMBODQGBQT-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc([O-])cc1F ZINC000183248143 337192381 /nfs/dbraw/zinc/19/23/81/337192381.db2.gz DFWQDHKFKCOHBO-UHFFFAOYSA-N -1 3 318.735 3.778 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000183241193 337192447 /nfs/dbraw/zinc/19/24/47/337192447.db2.gz CPFZWZKCMHMMJU-ZJUUUORDSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1cc(OC(F)F)c(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183245746 337192500 /nfs/dbraw/zinc/19/25/00/337192500.db2.gz LLTYDCGOPIQMNQ-UHFFFAOYSA-N -1 3 317.288 3.755 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183252668 337192573 /nfs/dbraw/zinc/19/25/73/337192573.db2.gz QZFPMKOIROCXOO-UHFFFAOYSA-N -1 3 315.344 3.750 20 0 DHADHM O=C(CCOc1ccccc1Cl)Nc1ccc([O-])cc1F ZINC000183256765 337192660 /nfs/dbraw/zinc/19/26/60/337192660.db2.gz XLMGQASYKITTQX-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM O=C(CCc1nc2ccccc2s1)Nc1ccc([O-])cc1F ZINC000183279037 337192735 /nfs/dbraw/zinc/19/27/35/337192735.db2.gz NOOBCOHFBOZNDN-UHFFFAOYSA-N -1 3 316.357 3.712 20 0 DHADHM O=C(Nc1cc2ccccn2n1)c1cc2cc(Cl)sc2[n-]1 ZINC000583060203 337234120 /nfs/dbraw/zinc/23/41/20/337234120.db2.gz ZPDLTIATHJDBKJ-UHFFFAOYSA-N -1 3 316.773 3.783 20 0 DHADHM COc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)c1 ZINC000583089588 337239151 /nfs/dbraw/zinc/23/91/51/337239151.db2.gz JFZMEMUBKUOSDC-INIZCTEOSA-N -1 3 315.369 3.632 20 0 DHADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1cn(C)c2ccccc12 ZINC000185622331 337249658 /nfs/dbraw/zinc/24/96/58/337249658.db2.gz NLYYWJTWOFFZAB-NSHDSACASA-N -1 3 312.344 3.765 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000186165230 337254064 /nfs/dbraw/zinc/25/40/64/337254064.db2.gz YWHCMECCGWLPEE-MRXNPFEDSA-N -1 3 321.417 3.774 20 0 DHADHM Cc1csc([C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000186205702 337254706 /nfs/dbraw/zinc/25/47/06/337254706.db2.gz ZZVHRYLLFZNNMR-CYBMUJFWSA-N -1 3 306.406 3.676 20 0 DHADHM Cc1cc(Br)cc(NCc2nc(C)ccc2[O-])c1 ZINC000230227456 337270601 /nfs/dbraw/zinc/27/06/01/337270601.db2.gz UAPVINMJVGLPTH-UHFFFAOYSA-N -1 3 307.191 3.779 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)c1ccccc1 ZINC000188806961 337275376 /nfs/dbraw/zinc/27/53/76/337275376.db2.gz MGKDDCSKCIVAIE-JTQLQIEISA-N -1 3 309.287 3.902 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc(CC2CC2)nc1C ZINC000189189350 337277317 /nfs/dbraw/zinc/27/73/17/337277317.db2.gz PRHRZDMZCGSIPU-UHFFFAOYSA-N -1 3 317.414 3.830 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000189695067 337281770 /nfs/dbraw/zinc/28/17/70/337281770.db2.gz UVYSKYZKGKOFSX-SUMWQHHRSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c([O-])c1 ZINC000189806405 337283184 /nfs/dbraw/zinc/28/31/84/337283184.db2.gz VPBYMYJHUZOSRM-GFCCVEGCSA-N -1 3 311.381 3.814 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000190004917 337284869 /nfs/dbraw/zinc/28/48/69/337284869.db2.gz NCAXUNWQZHTTBF-UHFFFAOYSA-N -1 3 302.399 3.670 20 0 DHADHM COc1cccc(-c2nc(-c3coc4ccccc34)no2)c1[O-] ZINC000321974398 337308064 /nfs/dbraw/zinc/30/80/64/337308064.db2.gz ZLGIIUWVRSCTJC-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM Cc1cc([N-]C(=O)COc2ccc(Cl)c3ccccc23)on1 ZINC000192967852 337308708 /nfs/dbraw/zinc/30/87/08/337308708.db2.gz HMGACVPINOGAHV-UHFFFAOYSA-N -1 3 316.744 3.807 20 0 DHADHM Cc1ccccc1C1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000584511663 337353562 /nfs/dbraw/zinc/35/35/62/337353562.db2.gz CBDOBBVCQRNHPN-UHFFFAOYSA-N -1 3 315.800 3.816 20 0 DHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1CCC(C)C ZINC000123504830 337399709 /nfs/dbraw/zinc/39/97/09/337399709.db2.gz XDMYKKWYYGFFER-UHFFFAOYSA-N -1 3 321.808 3.849 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc2[nH]cnc2c1 ZINC000078490909 337601692 /nfs/dbraw/zinc/60/16/92/337601692.db2.gz DDCNZXJEFHZUCS-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CC(C)C[C@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263485621 337630424 /nfs/dbraw/zinc/63/04/24/337630424.db2.gz MMYGZWNLILUJLI-SECBINFHSA-N -1 3 310.246 3.891 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000263571979 337631654 /nfs/dbraw/zinc/63/16/54/337631654.db2.gz KFRGBJAOXYWICZ-UHFFFAOYSA-N -1 3 317.429 3.699 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000421978010 337664355 /nfs/dbraw/zinc/66/43/55/337664355.db2.gz YHTGRPBOSYSJGZ-GFCCVEGCSA-N -1 3 315.335 3.759 20 0 DHADHM CCOc1cc(-c2noc(-c3oc(C)cc3C)n2)ccc1[O-] ZINC000445425365 337726558 /nfs/dbraw/zinc/72/65/58/337726558.db2.gz CNJRUXVLSOAFLQ-UHFFFAOYSA-N -1 3 300.314 3.718 20 0 DHADHM CCOc1cc(-c2noc(CCc3ccccc3)n2)ccc1[O-] ZINC000445428270 337728526 /nfs/dbraw/zinc/72/85/26/337728526.db2.gz VMHDFPOIKAVMAJ-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(C)ccc3F)n2)ccc1[O-] ZINC000445428674 337728706 /nfs/dbraw/zinc/72/87/06/337728706.db2.gz XPPRQDKBQHJHPU-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000527460813 337742985 /nfs/dbraw/zinc/74/29/85/337742985.db2.gz RFGWDBFASILVPT-CYBMUJFWSA-N -1 3 302.399 3.510 20 0 DHADHM CCC(=O)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000446146391 338521711 /nfs/dbraw/zinc/52/17/11/338521711.db2.gz KPXVQHYRICCHNZ-UHFFFAOYSA-N -1 3 314.291 3.873 20 0 DHADHM C[C@H]1CC[C@@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)O1 ZINC000528241486 337798037 /nfs/dbraw/zinc/79/80/37/337798037.db2.gz QATVNPHQEJOELX-BONVTDFDSA-N -1 3 300.358 3.561 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3c[nH]c4ccccc43)no2)c1[O-] ZINC000445446733 337844816 /nfs/dbraw/zinc/84/48/16/337844816.db2.gz MUJPNZGQQNKCMT-UHFFFAOYSA-N -1 3 321.336 3.908 20 0 DHADHM C[C@H]1SCCN(C(=O)c2ccccc2[O-])[C@H]1c1ccccc1 ZINC000118300880 337851000 /nfs/dbraw/zinc/85/10/00/337851000.db2.gz PHQHHCVUEALGAZ-CXAGYDPISA-N -1 3 313.422 3.711 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000424614086 337918610 /nfs/dbraw/zinc/91/86/10/337918610.db2.gz BWWGVGGIQXZKOK-SUMWQHHRSA-N -1 3 317.385 3.907 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000424623752 337925803 /nfs/dbraw/zinc/92/58/03/337925803.db2.gz QAFWARZQZDWDJF-ZANVPECISA-N -1 3 321.314 3.679 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1c(Cl)cccc1Cl ZINC000424625928 337926536 /nfs/dbraw/zinc/92/65/36/337926536.db2.gz TYRZXBSBQZVCIN-ZANVPECISA-N -1 3 304.217 3.828 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)c([O-])c1 ZINC000315452315 337987498 /nfs/dbraw/zinc/98/74/98/337987498.db2.gz SLBJEHWPFGOBNB-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C2CC2)c1 ZINC000515372919 337987536 /nfs/dbraw/zinc/98/75/36/337987536.db2.gz CLCKFNVYMHSRLJ-LBPRGKRZSA-N -1 3 309.413 3.788 20 0 DHADHM C(=C/c1ccccc1)\CCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000516130695 338004733 /nfs/dbraw/zinc/00/47/33/338004733.db2.gz SFUKOZAFJWOQAH-XBXARRHUSA-N -1 3 317.352 3.654 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)c([O-])c1C ZINC000445450808 338015631 /nfs/dbraw/zinc/01/56/31/338015631.db2.gz WXFDOHWPFOEPEM-UHFFFAOYSA-N -1 3 316.307 3.928 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccsc1 ZINC000426673698 338037737 /nfs/dbraw/zinc/03/77/37/338037737.db2.gz ZEHNBIJYLVABMJ-HNNXBMFYSA-N -1 3 318.373 3.674 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc2ncccc2c1)c1ccsc1 ZINC000426684102 338038093 /nfs/dbraw/zinc/03/80/93/338038093.db2.gz XGIKJDLGMGSFML-MRXNPFEDSA-N -1 3 312.394 3.602 20 0 DHADHM COc1ccc(CN[C@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000426688023 338038211 /nfs/dbraw/zinc/03/82/11/338038211.db2.gz NQBYLTUQSAMUSQ-VXGBXAGGSA-N -1 3 313.825 3.718 20 0 DHADHM O=C([O-])CCCCCNCc1csc(-c2ccccc2)n1 ZINC000426688084 338038296 /nfs/dbraw/zinc/03/82/96/338038296.db2.gz OBUVWUCSPYIBNE-UHFFFAOYSA-N -1 3 304.415 3.545 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000426700626 338038433 /nfs/dbraw/zinc/03/84/33/338038433.db2.gz SMZZITKWJGTIRF-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1ccc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000426709828 338038682 /nfs/dbraw/zinc/03/86/82/338038682.db2.gz FQLZEOXTWULPRN-CYBMUJFWSA-N -1 3 307.777 3.590 20 0 DHADHM Cc1ccc([C@@H](NCc2cc3c(cccc3F)[nH]2)C(=O)[O-])cc1 ZINC000426706809 338038745 /nfs/dbraw/zinc/03/87/45/338038745.db2.gz XERDZETULVJFSQ-QGZVFWFLSA-N -1 3 312.344 3.531 20 0 DHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000426725808 338039413 /nfs/dbraw/zinc/03/94/13/338039413.db2.gz FDUARFBXGGOIKG-SFHVURJKSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1cccc([C@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])c1C ZINC000426725879 338039448 /nfs/dbraw/zinc/03/94/48/338039448.db2.gz FUWGJWAOONLKQL-JXTAAOLFSA-N -1 3 313.372 3.871 20 0 DHADHM Cc1cccc([C@H](NCc2cc(F)ccc2C)C(=O)[O-])c1C ZINC000426738640 338040142 /nfs/dbraw/zinc/04/01/42/338040142.db2.gz XTXZVTFFDRCJAU-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000426742730 338040187 /nfs/dbraw/zinc/04/01/87/338040187.db2.gz QQXNITCCJOOSQW-CQSZACIVSA-N -1 3 310.180 3.909 20 0 DHADHM CC(C)(C)CC[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426743679 338040232 /nfs/dbraw/zinc/04/02/32/338040232.db2.gz UYQPRXJGFYDENE-ZDUSSCGKSA-N -1 3 301.789 3.848 20 0 DHADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426744082 338040434 /nfs/dbraw/zinc/04/04/34/338040434.db2.gz CAVUTPKBAFEOPD-QGZVFWFLSA-N -1 3 315.438 3.941 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@@H]2CCO)c([O-])c(C(C)C)c1 ZINC000428599963 338056965 /nfs/dbraw/zinc/05/69/65/338056965.db2.gz WCRGPNCRIFAPHH-OAHLLOKOSA-N -1 3 319.445 3.626 20 0 DHADHM Cc1ccoc1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000429376588 338079000 /nfs/dbraw/zinc/07/90/00/338079000.db2.gz AYLORVOEZHEGNB-UHFFFAOYSA-N -1 3 323.352 3.615 20 0 DHADHM CN(CCC(=O)[O-])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000430656985 338110588 /nfs/dbraw/zinc/11/05/88/338110588.db2.gz XOMGNPJJCKAPSN-UHFFFAOYSA-N -1 3 321.323 3.664 20 0 DHADHM CCc1occc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000430838199 338116729 /nfs/dbraw/zinc/11/67/29/338116729.db2.gz JNPMPWUURYUTSA-UHFFFAOYSA-N -1 3 305.384 3.674 20 0 DHADHM [O-]c1ccc(Br)c(-c2nc3cc(F)ccc3[nH]2)c1 ZINC000431191027 338125546 /nfs/dbraw/zinc/12/55/46/338125546.db2.gz JPGUTKWOJIZOPV-UHFFFAOYSA-N -1 3 307.122 3.837 20 0 DHADHM O=C(Nc1ccccc1N1CCCC1)c1cc([O-])ccc1Cl ZINC000431520925 338133068 /nfs/dbraw/zinc/13/30/68/338133068.db2.gz SQDUPEJTZRLPSH-UHFFFAOYSA-N -1 3 316.788 3.898 20 0 DHADHM O=C(NC[C@@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000431901346 338141349 /nfs/dbraw/zinc/14/13/49/338141349.db2.gz XDPMPNYYJPMLTR-ZDUSSCGKSA-N -1 3 315.800 3.896 20 0 DHADHM COC(=O)c1cnc(S[C@@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC000432671915 338162185 /nfs/dbraw/zinc/16/21/85/338162185.db2.gz XCGUFGPKXQZPFY-GFCCVEGCSA-N -1 3 308.790 3.629 20 0 DHADHM COc1c(Cl)cccc1NC(=O)c1cc([O-])ccc1Cl ZINC000432889015 338171998 /nfs/dbraw/zinc/17/19/98/338171998.db2.gz FKCOGIVMQQLLIJ-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CCc1ccc([C@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000433076958 338180679 /nfs/dbraw/zinc/18/06/79/338180679.db2.gz MGTULDOVKFGNTL-PBHICJAKSA-N -1 3 311.429 3.604 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433297593 338190117 /nfs/dbraw/zinc/19/01/17/338190117.db2.gz LTDRVIGQNVWRRY-OCCSQVGLSA-N -1 3 317.820 3.695 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1ccn(C(CC)CC)n1 ZINC000433373003 338194022 /nfs/dbraw/zinc/19/40/22/338194022.db2.gz FNDXCKFPBOXBOG-UHFFFAOYSA-N -1 3 323.466 3.634 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccoc1Cl ZINC000433592891 338197664 /nfs/dbraw/zinc/19/76/64/338197664.db2.gz SMGMGKHSVGXENU-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM CCOc1nccc(C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000434370008 338215399 /nfs/dbraw/zinc/21/53/99/338215399.db2.gz NYKPNVILAUQSDW-UHFFFAOYSA-N -1 3 320.776 3.708 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3ccccc3C)no2)c1[O-] ZINC000436510908 338274604 /nfs/dbraw/zinc/27/46/04/338274604.db2.gz FMOFJADSUXFMMZ-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c1[O-] ZINC000436513176 338274608 /nfs/dbraw/zinc/27/46/08/338274608.db2.gz LRRFIYJKRPBOMX-LJQANCHMSA-N -1 3 313.372 3.720 20 0 DHADHM COc1cccc2c1[C@@H](c1nc(-c3ccc([O-])cc3)no1)CC2 ZINC000436511092 338274715 /nfs/dbraw/zinc/27/47/15/338274715.db2.gz GISFSGHJZWXHBO-AWEZNQCLSA-N -1 3 308.337 3.529 20 0 DHADHM CC(C)c1nnc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])s1 ZINC000436521338 338275008 /nfs/dbraw/zinc/27/50/08/338275008.db2.gz LTKVUUTUMWKKDJ-UHFFFAOYSA-N -1 3 319.430 3.917 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CC[C@H]3c3ccccc3)c([O-])c2O1 ZINC000436524791 338275194 /nfs/dbraw/zinc/27/51/94/338275194.db2.gz BLYRNUXMNDNEPO-INIZCTEOSA-N -1 3 323.392 3.693 20 0 DHADHM Cc1ccc2cc(-c3nc(-c4ccc([O-])cc4)no3)ccc2n1 ZINC000436530767 338275339 /nfs/dbraw/zinc/27/53/39/338275339.db2.gz FWPVMJLFVIIOML-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)[C@H](CC)c2ccncc2)c1 ZINC000436532183 338275499 /nfs/dbraw/zinc/27/54/99/338275499.db2.gz VPXRQOWOJCRMFL-QGZVFWFLSA-N -1 3 312.413 3.963 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000436530819 338275604 /nfs/dbraw/zinc/27/56/04/338275604.db2.gz GEHNPRNYQNSIJJ-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM COc1ccc([C@@H](C)Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436531849 338275632 /nfs/dbraw/zinc/27/56/32/338275632.db2.gz HYBCKYGHWVUNBK-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1[O-] ZINC000436555117 338276833 /nfs/dbraw/zinc/27/68/33/338276833.db2.gz JKXGSXFGGLWSEI-UHFFFAOYSA-N -1 3 308.337 3.637 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3ccc(F)c(F)c3)n2)cc1 ZINC000436561837 338277010 /nfs/dbraw/zinc/27/70/10/338277010.db2.gz CXGFKFXIHAAOCT-WAPJZHGLSA-N -1 3 300.264 3.891 20 0 DHADHM CC[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccncc1 ZINC000436565734 338277218 /nfs/dbraw/zinc/27/72/18/338277218.db2.gz VQRNNCGCKGRLHE-KRWDZBQOSA-N -1 3 310.397 3.547 20 0 DHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000436570428 338277576 /nfs/dbraw/zinc/27/75/76/338277576.db2.gz QDTLUZBXJHXAFK-UHFFFAOYSA-N -1 3 313.397 3.786 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC000436570920 338277685 /nfs/dbraw/zinc/27/76/85/338277685.db2.gz SUSSCKGUCFLVKY-GJZGRUSLSA-N -1 3 309.409 3.854 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436572152 338277793 /nfs/dbraw/zinc/27/77/93/338277793.db2.gz DHSMLLPJYSQXFC-RDJZCZTQSA-N -1 3 309.409 3.794 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1 ZINC000436579497 338278190 /nfs/dbraw/zinc/27/81/90/338278190.db2.gz XGCMCIVKKIKCQH-NVXWUHKLSA-N -1 3 309.409 3.794 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1 ZINC000436584225 338278387 /nfs/dbraw/zinc/27/83/87/338278387.db2.gz POHTXDXRRJPDGF-LLVKDONJSA-N -1 3 317.335 3.738 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1cccc(C)c1[O-])CCCC2 ZINC000436586828 338278563 /nfs/dbraw/zinc/27/85/63/338278563.db2.gz VBNKRVJMWIYCBH-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436586858 338278625 /nfs/dbraw/zinc/27/86/25/338278625.db2.gz NOIISCXTFHLMPQ-CYBMUJFWSA-N -1 3 317.429 3.758 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1C ZINC000436588303 338278775 /nfs/dbraw/zinc/27/87/75/338278775.db2.gz SKZFKCHTZDRAJH-LSDHHAIUSA-N -1 3 305.443 3.509 20 0 DHADHM Cc1nc(C)c(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000436592059 338278871 /nfs/dbraw/zinc/27/88/71/338278871.db2.gz ZGOUOHMPKPUIEY-UHFFFAOYSA-N -1 3 302.399 3.597 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000436591669 338278877 /nfs/dbraw/zinc/27/88/77/338278877.db2.gz XRZLHQAEEDBHFU-VXGBXAGGSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1ccc(C(=O)NCc2ncoc2-c2ccccc2)c([O-])c1C ZINC000436591364 338279028 /nfs/dbraw/zinc/27/90/28/338279028.db2.gz WGKDVZBLGXJJMI-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000436593354 338279030 /nfs/dbraw/zinc/27/90/30/338279030.db2.gz AUYMSGQFYXVJHB-SFHVURJKSA-N -1 3 311.425 3.676 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[O-] ZINC000436600985 338279305 /nfs/dbraw/zinc/27/93/05/338279305.db2.gz BAJNYIYZKTXPBS-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM CCCC1CCC(N(C)C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000436601172 338279466 /nfs/dbraw/zinc/27/94/66/338279466.db2.gz BVLBBKUVNFGRSJ-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccc(O)c3ccccc23)no1 ZINC000436606665 338279586 /nfs/dbraw/zinc/27/95/86/338279586.db2.gz DPHAFFZWJLCUAT-UHFFFAOYSA-N -1 3 304.305 3.968 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c([O-])c1C ZINC000436606367 338279645 /nfs/dbraw/zinc/27/96/45/338279645.db2.gz QTQSGAUPLWCKSN-QGZVFWFLSA-N -1 3 324.424 3.726 20 0 DHADHM Cc1cncc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436609939 338279827 /nfs/dbraw/zinc/27/98/27/338279827.db2.gz IWANKMSONBCHHU-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1[O-] ZINC000436615532 338280112 /nfs/dbraw/zinc/28/01/12/338280112.db2.gz FVQAEPOPKOQZHX-UHFFFAOYSA-N -1 3 320.320 3.841 20 0 DHADHM COc1cccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1[O-] ZINC000436620426 338280245 /nfs/dbraw/zinc/28/02/45/338280245.db2.gz VOCDKHWNFKFTKF-UONOGXRCSA-N -1 3 308.337 3.722 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)c([O-])c1C ZINC000436627432 338280424 /nfs/dbraw/zinc/28/04/24/338280424.db2.gz WAPOKIJPABGVBS-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM COc1cc(/C=C\c2nc(-c3ccc([O-])cc3)no2)ccc1F ZINC000436639568 338280990 /nfs/dbraw/zinc/28/09/90/338280990.db2.gz DJCMYTMLXVTVSL-OQFOIZHKSA-N -1 3 312.300 3.760 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c([O-])c1C ZINC000436646434 338281319 /nfs/dbraw/zinc/28/13/19/338281319.db2.gz GEOQWSVEOZTEAS-UHFFFAOYSA-N -1 3 313.353 3.769 20 0 DHADHM CCc1cc(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)ccc1[O-] ZINC000436674651 338282396 /nfs/dbraw/zinc/28/23/96/338282396.db2.gz WCNGCNQUKLXRPR-SJLPKXTDSA-N -1 3 319.445 3.668 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c([O-])c1 ZINC000436684306 338282603 /nfs/dbraw/zinc/28/26/03/338282603.db2.gz YJUPHMLJWIVFAF-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cccc(C)c3F)no2)c1[O-] ZINC000436686719 338282886 /nfs/dbraw/zinc/28/28/86/338282886.db2.gz HWHDFBIQFZOWBC-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c1[O-] ZINC000436696803 338283095 /nfs/dbraw/zinc/28/30/95/338283095.db2.gz IAKGKTPOBWHAAK-GOSISDBHSA-N -1 3 317.335 3.551 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c([O-])c1C ZINC000436696454 338283150 /nfs/dbraw/zinc/28/31/50/338283150.db2.gz HCAVSUHJXLMRGL-HNNXBMFYSA-N -1 3 311.381 3.765 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436694556 338283206 /nfs/dbraw/zinc/28/32/06/338283206.db2.gz AQYDPWDYNVUUKQ-HUUCEWRRSA-N -1 3 307.459 3.701 20 0 DHADHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1OC(C)C ZINC000436693420 338283232 /nfs/dbraw/zinc/28/32/32/338283232.db2.gz AAMBZQOSWJCYQG-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2cncc(F)c2)c([O-])c1 ZINC000436723913 338284346 /nfs/dbraw/zinc/28/43/46/338284346.db2.gz RGSCYYGJTWRPIB-LLVKDONJSA-N -1 3 302.349 3.541 20 0 DHADHM CCCCN(Cc1ccccc1F)C(=O)c1ccccc1[O-] ZINC000436742050 338285045 /nfs/dbraw/zinc/28/50/45/338285045.db2.gz WRPKIYQVPSVONC-UHFFFAOYSA-N -1 3 301.361 3.974 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc3ccc(O)cc32)c1[O-] ZINC000436743498 338285111 /nfs/dbraw/zinc/28/51/11/338285111.db2.gz XMUVVQIVHCKTPN-UHFFFAOYSA-N -1 3 323.348 3.820 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC000436748169 338285265 /nfs/dbraw/zinc/28/52/65/338285265.db2.gz RATRXYSFYMVOAM-UHFFFAOYSA-N -1 3 309.409 3.999 20 0 DHADHM CCCOc1ccccc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000436753617 338285581 /nfs/dbraw/zinc/28/55/81/338285581.db2.gz FBQJZXZLERWWNC-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM O=C(NCc1ccncc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755381 338285797 /nfs/dbraw/zinc/28/57/97/338285797.db2.gz LUGPFCSFQLDQJB-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1 ZINC000436759777 338285996 /nfs/dbraw/zinc/28/59/96/338285996.db2.gz GGLYMAKIPVOJEF-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM [O-]c1ccc(-c2noc(CSc3ccc(F)cc3)n2)cc1 ZINC000436770784 338286791 /nfs/dbraw/zinc/28/67/91/338286791.db2.gz UTBKMUMWRQNUJU-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM Cc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436779235 338286952 /nfs/dbraw/zinc/28/69/52/338286952.db2.gz VZYHNIJHEFHZSN-UHFFFAOYSA-N -1 3 308.337 3.566 20 0 DHADHM COc1cc(-c2noc(CSCCC(C)C)n2)ccc1[O-] ZINC000436782877 338287073 /nfs/dbraw/zinc/28/70/73/338287073.db2.gz DNIIVPXNPGOTSU-UHFFFAOYSA-N -1 3 308.403 3.730 20 0 DHADHM CCC(CC)n1ccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000436795379 338287574 /nfs/dbraw/zinc/28/75/74/338287574.db2.gz YLHQBPIRWQIKTE-UHFFFAOYSA-N -1 3 307.781 3.856 20 0 DHADHM Cc1noc(C)c1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436793745 338287668 /nfs/dbraw/zinc/28/76/68/338287668.db2.gz STOFAMJXMIIIFI-UHFFFAOYSA-N -1 3 322.364 3.840 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000436807975 338288101 /nfs/dbraw/zinc/28/81/01/338288101.db2.gz JUAPIQHMWFLSLV-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(-c3nnco3)ccc2C)c([O-])c1 ZINC000436819429 338288425 /nfs/dbraw/zinc/28/84/25/338288425.db2.gz NKAFJVNNURUUKD-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COCC[C@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436821718 338288567 /nfs/dbraw/zinc/28/85/67/338288567.db2.gz XUDBXOKXZAYNCL-OAHLLOKOSA-N -1 3 319.445 3.794 20 0 DHADHM CCc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c([O-])c1 ZINC000436831579 338288975 /nfs/dbraw/zinc/28/89/75/338288975.db2.gz QOYHWBSBFRFCIC-UHFFFAOYSA-N -1 3 319.470 3.847 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1(C)CCCC1 ZINC000436835413 338289098 /nfs/dbraw/zinc/28/90/98/338289098.db2.gz DPEZEDDGUKGIIK-UHFFFAOYSA-N -1 3 303.402 3.510 20 0 DHADHM CCc1ccc(C(=O)NCc2coc(-c3ccccc3)n2)c([O-])c1 ZINC000436835082 338289179 /nfs/dbraw/zinc/28/91/79/338289179.db2.gz UBUSVDZMMIVEJO-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM CSc1ccccc1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000436856343 338290046 /nfs/dbraw/zinc/29/00/46/338290046.db2.gz ZLYVEQMJKJISOH-UHFFFAOYSA-N -1 3 301.411 3.695 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000436872383 338291042 /nfs/dbraw/zinc/29/10/42/338291042.db2.gz WFKLZDYLECGWGQ-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM Cc1ccc(C(=O)CCCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436874124 338291051 /nfs/dbraw/zinc/29/10/51/338291051.db2.gz ZBVRPQOWAJADNS-UHFFFAOYSA-N -1 3 322.364 3.956 20 0 DHADHM C[C@@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436895494 338292272 /nfs/dbraw/zinc/29/22/72/338292272.db2.gz VHTOVSGDJFNVLY-SNVBAGLBSA-N -1 3 300.289 3.721 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)ccc1[O-] ZINC000436901852 338292739 /nfs/dbraw/zinc/29/27/39/338292739.db2.gz OEXZYDIDWBHZDI-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM Cc1ccc(-c2nc(Cc3csc(C(C)C)n3)no2)c([O-])c1 ZINC000436910779 338293019 /nfs/dbraw/zinc/29/30/19/338293019.db2.gz DLNUGEJZYLHFQP-UHFFFAOYSA-N -1 3 315.398 3.921 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3cccc(COC)c3)no2)c1 ZINC000436909364 338293029 /nfs/dbraw/zinc/29/30/29/338293029.db2.gz MPRQYEOHCURSPN-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c1 ZINC000436921456 338293473 /nfs/dbraw/zinc/29/34/73/338293473.db2.gz STTFXYYXPMRAJQ-UHFFFAOYSA-N -1 3 323.327 3.962 20 0 DHADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436924098 338293712 /nfs/dbraw/zinc/29/37/12/338293712.db2.gz FZTLPIGNUMUXLG-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000436923907 338293740 /nfs/dbraw/zinc/29/37/40/338293740.db2.gz BGFABJMTLKMFPG-WMLDXEAASA-N -1 3 319.445 3.839 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccc4cnccc43)no2)c1 ZINC000436927462 338293939 /nfs/dbraw/zinc/29/39/39/338293939.db2.gz NXSDSVRQGZNKDX-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)ccc1[O-] ZINC000436933052 338294236 /nfs/dbraw/zinc/29/42/36/338294236.db2.gz AVCYSXIWJFXNIP-ZDUSSCGKSA-N -1 3 322.364 3.847 20 0 DHADHM Cc1cccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1[O-] ZINC000436938241 338294541 /nfs/dbraw/zinc/29/45/41/338294541.db2.gz IUDKXSWCOLSODE-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CCc1nnc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)o1 ZINC000436938120 338294564 /nfs/dbraw/zinc/29/45/64/338294564.db2.gz KGLGPIGTASDLGP-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000436938502 338294586 /nfs/dbraw/zinc/29/45/86/338294586.db2.gz LZKKJYUMQMUZIB-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM CCOc1cc(Cl)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436937354 338294602 /nfs/dbraw/zinc/29/46/02/338294602.db2.gz IAJMIFWOCMWVHR-UHFFFAOYSA-N -1 3 319.788 3.683 20 0 DHADHM Cc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000436940088 338294788 /nfs/dbraw/zinc/29/47/88/338294788.db2.gz UCPUSXALESTXEQ-LLVKDONJSA-N -1 3 305.324 3.512 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000436945748 338295112 /nfs/dbraw/zinc/29/51/12/338295112.db2.gz QCTCYCHJELEDKT-FZMZJTMJSA-N -1 3 319.763 3.779 20 0 DHADHM CN(CCc1ccccc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436946697 338295199 /nfs/dbraw/zinc/29/51/99/338295199.db2.gz FHGZYEQLJJQZOZ-UHFFFAOYSA-N -1 3 309.409 3.586 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2ccon2)no1 ZINC000436945303 338295238 /nfs/dbraw/zinc/29/52/38/338295238.db2.gz PEPGIJRICGZQCW-UHFFFAOYSA-N -1 3 319.320 3.688 20 0 DHADHM Cc1cccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c1[O-] ZINC000436951074 338295591 /nfs/dbraw/zinc/29/55/91/338295591.db2.gz RAKPGXWFGICISE-UHFFFAOYSA-N -1 3 301.773 3.773 20 0 DHADHM C[C@@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436961257 338296150 /nfs/dbraw/zinc/29/61/50/338296150.db2.gz GQEJUHXHXHUYMU-LJQANCHMSA-N -1 3 313.372 3.557 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000436972692 338296410 /nfs/dbraw/zinc/29/64/10/338296410.db2.gz PZZYHDLKOGWBHG-KBPBESRZSA-N -1 3 305.418 3.689 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCS[C@H](CC)C2)c([O-])c1 ZINC000436983496 338296713 /nfs/dbraw/zinc/29/67/13/338296713.db2.gz CLGUDGSNTVUPPQ-CQSZACIVSA-N -1 3 323.458 3.539 20 0 DHADHM COc1ccc(C)cc1Cc1noc(-c2cccc(C)c2[O-])n1 ZINC000436995752 338297089 /nfs/dbraw/zinc/29/70/89/338297089.db2.gz DRSIUEQUNUMPNG-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437659640 338317542 /nfs/dbraw/zinc/31/75/42/338317542.db2.gz IOAURRHUTMBUSB-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(Cl)c1 ZINC000438782749 338352105 /nfs/dbraw/zinc/35/21/05/338352105.db2.gz AIBGBRBNSHGWKN-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CCSCc1cccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000439589730 338373991 /nfs/dbraw/zinc/37/39/91/338373991.db2.gz APJUTJZKBDUMCD-LBPRGKRZSA-N -1 3 319.430 3.675 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c([O-])c1C ZINC000439754854 338377144 /nfs/dbraw/zinc/37/71/44/338377144.db2.gz GHOWCJOLETZHDY-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1cccc2c(CCNC(=O)c3ccc(C)c(C)c3[O-])c[nH]c21 ZINC000439802720 338378776 /nfs/dbraw/zinc/37/87/76/338378776.db2.gz VFDNDHINMNGERA-UHFFFAOYSA-N -1 3 322.408 3.771 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccncc1Oc1ccccc1 ZINC000442301500 338423254 /nfs/dbraw/zinc/42/32/54/338423254.db2.gz YZUBGHJZEUHNAH-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM Cc1cc([N-]C(=O)[C@@H](C)N2C[C@H](C(C)C)c3ccccc32)on1 ZINC000447399581 338551543 /nfs/dbraw/zinc/55/15/43/338551543.db2.gz YAAFVVHLIPYDQZ-UKRRQHHQSA-N -1 3 313.401 3.570 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000447771087 338566141 /nfs/dbraw/zinc/56/61/41/338566141.db2.gz CGJNIZZMNQCKDN-DOTOQJQBSA-N -1 3 319.420 3.939 20 0 DHADHM CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000449157135 338597619 /nfs/dbraw/zinc/59/76/19/338597619.db2.gz UNVJUFMPZRSUMF-UHFFFAOYSA-N -1 3 317.360 3.716 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C)c1 ZINC000450954175 338714021 /nfs/dbraw/zinc/71/40/21/338714021.db2.gz BRUFCDRKRLGJJF-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC000452121104 338754378 /nfs/dbraw/zinc/75/43/78/338754378.db2.gz MVEKWRAVAJJBIL-QGZVFWFLSA-N -1 3 313.372 3.576 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC12CCCC2 ZINC000452748078 338777721 /nfs/dbraw/zinc/77/77/21/338777721.db2.gz JMLSIHWICJUJDJ-JTQLQIEISA-N -1 3 324.218 3.982 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1[O-] ZINC000195697159 338914277 /nfs/dbraw/zinc/91/42/77/338914277.db2.gz LEYGOOUUPVWWTG-KRWDZBQOSA-N -1 3 309.409 3.938 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000456103921 338919445 /nfs/dbraw/zinc/91/94/45/338919445.db2.gz BIRXENPVSRPUGE-JQWIXIFHSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000456841475 338943505 /nfs/dbraw/zinc/94/35/05/338943505.db2.gz LHWWFUNXDYRXCO-MRXNPFEDSA-N -1 3 315.344 3.523 20 0 DHADHM Cc1ccc([C@@H]2CCCN2Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459280563 339019011 /nfs/dbraw/zinc/01/90/11/339019011.db2.gz NMJHVPMQDQGGLX-KRWDZBQOSA-N -1 3 309.413 3.705 20 0 DHADHM Cc1occc1CN(C)Cc1cccc([O-])c1Br ZINC000459321051 339021433 /nfs/dbraw/zinc/02/14/33/339021433.db2.gz GISIKAZFERWDSS-UHFFFAOYSA-N -1 3 310.191 3.688 20 0 DHADHM O=c1cc(CN[C@@H](c2ccccc2)C2CCC2)nc(C2CC2)[n-]1 ZINC000459372359 339025415 /nfs/dbraw/zinc/02/54/15/339025415.db2.gz QTSOSZPRTQUDJM-SFHVURJKSA-N -1 3 309.413 3.691 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc2ccccc2o1 ZINC000459403636 339027267 /nfs/dbraw/zinc/02/72/67/339027267.db2.gz LDVGRCZBYDUUST-LLVKDONJSA-N -1 3 309.369 3.657 20 0 DHADHM C/C(=C/c1ccccc1)CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459427767 339028617 /nfs/dbraw/zinc/02/86/17/339028617.db2.gz VJQWZDJGHSDUSU-UVTDQMKNSA-N -1 3 309.413 3.595 20 0 DHADHM CC(C)Cn1nccc1NCc1cccc([O-])c1Br ZINC000459483005 339032067 /nfs/dbraw/zinc/03/20/67/339032067.db2.gz RXFLSRIGJGLXLJ-UHFFFAOYSA-N -1 3 324.222 3.619 20 0 DHADHM C[C@H](c1ccccn1)N(C)Cc1cccc([O-])c1Br ZINC000459486414 339032141 /nfs/dbraw/zinc/03/21/41/339032141.db2.gz TVMOHQZCMAIWLY-LLVKDONJSA-N -1 3 321.218 3.743 20 0 DHADHM C[C@H]1CN(Cc2cccc([O-])c2Br)CCC1(F)F ZINC000459567611 339036207 /nfs/dbraw/zinc/03/62/07/339036207.db2.gz UJZCMZCSCMKCCQ-VIFPVBQESA-N -1 3 320.177 3.632 20 0 DHADHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462361341 339076629 /nfs/dbraw/zinc/07/66/29/339076629.db2.gz NZJVMGQHGYJHHO-VIFPVBQESA-N -1 3 323.380 3.597 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@H]2C)o1 ZINC000462686033 339084192 /nfs/dbraw/zinc/08/41/92/339084192.db2.gz SUFHAGBRIUFMQJ-SJKOYZFVSA-N -1 3 319.426 3.580 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)cc2c1OCC2 ZINC000462778633 339088077 /nfs/dbraw/zinc/08/80/77/339088077.db2.gz NNVMGZFSEFBAFV-UHFFFAOYSA-N -1 3 324.163 3.886 20 0 DHADHM CC(C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC000463111246 339106157 /nfs/dbraw/zinc/10/61/57/339106157.db2.gz YBAXKDXYVPBZJW-BYPYZUCNSA-N -1 3 302.079 3.836 20 0 DHADHM CCCC[C@@H](CC)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000464407475 339141569 /nfs/dbraw/zinc/14/15/69/339141569.db2.gz QVGZUYBAHHEMDZ-LLVKDONJSA-N -1 3 310.394 3.569 20 0 DHADHM CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCCc2cccc([O-])c21 ZINC000468327436 339259847 /nfs/dbraw/zinc/25/98/47/339259847.db2.gz QRKUHGMJFAWWFA-RHSMWYFYSA-N -1 3 317.429 3.657 20 0 DHADHM C[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C ZINC000468576266 339266665 /nfs/dbraw/zinc/26/66/65/339266665.db2.gz IWNZGPLXPQQERZ-XJKCOSOUSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)c2c([O-])cccc21 ZINC000469259284 339284426 /nfs/dbraw/zinc/28/44/26/339284426.db2.gz SJVYZJHKSFDQSC-AWEZNQCLSA-N -1 3 321.420 3.964 20 0 DHADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000469392640 339287760 /nfs/dbraw/zinc/28/77/60/339287760.db2.gz DZZOYZIGUSYJCY-VIFPVBQESA-N -1 3 322.257 3.850 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000469562435 339293324 /nfs/dbraw/zinc/29/33/24/339293324.db2.gz RMMFRJLQNDXYJA-UMVBOHGHSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C[C@H]1C ZINC000469562434 339293381 /nfs/dbraw/zinc/29/33/81/339293381.db2.gz RMMFRJLQNDXYJA-NFAWXSAZSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1(C)C ZINC000469567604 339293399 /nfs/dbraw/zinc/29/33/99/339293399.db2.gz UYVNOUHUFUKDJQ-ZDUSSCGKSA-N -1 3 307.409 3.749 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc(C)c1O ZINC000469639373 339294820 /nfs/dbraw/zinc/29/48/20/339294820.db2.gz KYAUXNNDLKHBCP-UHFFFAOYSA-N -1 3 317.360 3.815 20 0 DHADHM C[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469671822 339295221 /nfs/dbraw/zinc/29/52/21/339295221.db2.gz AAUDHJIRXPBKAM-ZFWWWQNUSA-N -1 3 307.409 3.939 20 0 DHADHM CC(C)(CF)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000472926984 339379149 /nfs/dbraw/zinc/37/91/49/339379149.db2.gz DJYAJAXVYWJTDF-UHFFFAOYSA-N -1 3 315.797 3.520 20 0 DHADHM CCc1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1[O-] ZINC000486387085 339726419 /nfs/dbraw/zinc/72/64/19/339726419.db2.gz IAUQETWGLDWTSY-GOSISDBHSA-N -1 3 309.409 3.706 20 0 DHADHM CCc1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)ccc1[O-] ZINC000486479029 339728034 /nfs/dbraw/zinc/72/80/34/339728034.db2.gz MMNLTTVHFCDTCG-NSHDSACASA-N -1 3 315.344 3.521 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1C ZINC000489001057 339799590 /nfs/dbraw/zinc/79/95/90/339799590.db2.gz HHUGJEPENWWUQB-BREBYQMCSA-N -1 3 319.829 3.582 20 0 DHADHM Cc1cc(F)ccc1CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000489447781 339809258 /nfs/dbraw/zinc/80/92/58/339809258.db2.gz LHJOTBCQNYWKIF-UHFFFAOYSA-N -1 3 321.779 3.694 20 0 DHADHM O=C(NCCC1Cc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000489673767 339815886 /nfs/dbraw/zinc/81/58/86/339815886.db2.gz BLQZYVPEDQTANE-UHFFFAOYSA-N -1 3 315.800 3.581 20 0 DHADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000490651190 339836551 /nfs/dbraw/zinc/83/65/51/339836551.db2.gz RNLDDBZOSWAYJU-VIFPVBQESA-N -1 3 319.744 3.517 20 0 DHADHM C[C@H](Sc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000490882494 339842706 /nfs/dbraw/zinc/84/27/06/339842706.db2.gz WQQUKKIYEMKENQ-ZDUSSCGKSA-N -1 3 313.422 3.852 20 0 DHADHM COC(=O)Nc1cccc(NCc2c(F)ccc([O-])c2F)c1C ZINC000495818267 339992802 /nfs/dbraw/zinc/99/28/02/339992802.db2.gz QLEXOMDEILKPEU-UHFFFAOYSA-N -1 3 322.311 3.769 20 0 DHADHM CCCO[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000496403038 340004723 /nfs/dbraw/zinc/00/47/23/340004723.db2.gz MUGBOQXXSUDKTJ-UHFFFAOYSA-N -1 3 323.393 3.805 20 0 DHADHM CC(C)CN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000498873438 340024730 /nfs/dbraw/zinc/02/47/30/340024730.db2.gz FTTFHNBRIMPBAI-UHFFFAOYSA-N -1 3 309.369 3.973 20 0 DHADHM CC(C)CN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000498873438 340024731 /nfs/dbraw/zinc/02/47/31/340024731.db2.gz FTTFHNBRIMPBAI-UHFFFAOYSA-N -1 3 309.369 3.973 20 0 DHADHM Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1[O-] ZINC000499697695 340042906 /nfs/dbraw/zinc/04/29/06/340042906.db2.gz RLXVFLJJJHPPRR-UHFFFAOYSA-N -1 3 302.399 3.678 20 0 DHADHM Cc1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)ccc1[O-] ZINC000499866253 340046261 /nfs/dbraw/zinc/04/62/61/340046261.db2.gz COWYSGCQGCFRMO-UHFFFAOYSA-N -1 3 322.408 3.577 20 0 DHADHM Cc1ccc([O-])c(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)n1 ZINC000500414204 340057537 /nfs/dbraw/zinc/05/75/37/340057537.db2.gz GHFPKKPBHTVEAV-PIGZYNQJSA-N -1 3 302.805 3.774 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000500415817 340057588 /nfs/dbraw/zinc/05/75/88/340057588.db2.gz RYFCIMBRVLUBAP-LLVKDONJSA-N -1 3 317.360 3.593 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000500731831 340066110 /nfs/dbraw/zinc/06/61/10/340066110.db2.gz LWLLVGDLOHFGPS-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1 ZINC000501244488 340077000 /nfs/dbraw/zinc/07/70/00/340077000.db2.gz NLOSMVYHBGXLHL-IBGZPJMESA-N -1 3 313.372 3.720 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000501951736 340091444 /nfs/dbraw/zinc/09/14/44/340091444.db2.gz SZUNBQVMEDDIBP-UHFFFAOYSA-N -1 3 313.353 3.671 20 0 DHADHM CC[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(CC)CC ZINC000501981132 340091925 /nfs/dbraw/zinc/09/19/25/340091925.db2.gz UVCNSBJHNXQWJI-GFCCVEGCSA-N -1 3 319.232 3.758 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@@H](C)CCC ZINC000503182748 340122780 /nfs/dbraw/zinc/12/27/80/340122780.db2.gz SQPCJTRNRJOPDR-LBPRGKRZSA-N -1 3 320.412 3.918 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H](C)CCC ZINC000503182748 340122781 /nfs/dbraw/zinc/12/27/81/340122781.db2.gz SQPCJTRNRJOPDR-LBPRGKRZSA-N -1 3 320.412 3.918 20 0 DHADHM CCCCCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H](C)CCC ZINC000503182748 340122782 /nfs/dbraw/zinc/12/27/82/340122782.db2.gz SQPCJTRNRJOPDR-LBPRGKRZSA-N -1 3 320.412 3.918 20 0 DHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000504324124 340145048 /nfs/dbraw/zinc/14/50/48/340145048.db2.gz JDUOMOCJTZLUDI-ACJLOTCBSA-N -1 3 323.392 3.542 20 0 DHADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000504324129 340145056 /nfs/dbraw/zinc/14/50/56/340145056.db2.gz JDUOMOCJTZLUDI-FZKQIMNGSA-N -1 3 323.392 3.542 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505379413 340167478 /nfs/dbraw/zinc/16/74/78/340167478.db2.gz KCPBYYPJUHYFPI-YDZSZYSISA-N -1 3 323.392 3.719 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1C(F)F ZINC000505431513 340168241 /nfs/dbraw/zinc/16/82/41/340168241.db2.gz VJUOAAMHGIUMIX-CYBMUJFWSA-N -1 3 315.335 3.500 20 0 DHADHM C[C@@H]1C[C@]1(NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000505759812 340176917 /nfs/dbraw/zinc/17/69/17/340176917.db2.gz GPEVELHTGBYTGO-PIGZYNQJSA-N -1 3 301.773 3.711 20 0 DHADHM CC(C)Cn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cn1 ZINC000506244083 340189912 /nfs/dbraw/zinc/18/99/12/340189912.db2.gz SRDMQEHUNWUFAQ-UHFFFAOYSA-N -1 3 315.417 3.795 20 0 DHADHM CCCCC1CCC(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000506520443 340196079 /nfs/dbraw/zinc/19/60/79/340196079.db2.gz ZZLCTENFKWYNPV-UHFFFAOYSA-N -1 3 316.405 4.000 20 0 DHADHM CCCCC1CCC(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000506520443 340196080 /nfs/dbraw/zinc/19/60/80/340196080.db2.gz ZZLCTENFKWYNPV-UHFFFAOYSA-N -1 3 316.405 4.000 20 0 DHADHM CCCCC1CCC(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000506520443 340196081 /nfs/dbraw/zinc/19/60/81/340196081.db2.gz ZZLCTENFKWYNPV-UHFFFAOYSA-N -1 3 316.405 4.000 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000506799658 340202172 /nfs/dbraw/zinc/20/21/72/340202172.db2.gz VYNGUFWBMVTADW-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM Clc1ccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000508014379 340237373 /nfs/dbraw/zinc/23/73/73/340237373.db2.gz SONMGUQLLBXPEM-UHFFFAOYSA-N -1 3 323.743 3.842 20 0 DHADHM CC[C@H](CC(F)(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000402646111 340251303 /nfs/dbraw/zinc/25/13/03/340251303.db2.gz QQVVQQACINAVLI-SNVBAGLBSA-N -1 3 301.308 3.650 20 0 DHADHM CC[C@H](O)CN(Cc1ccccc1)Cc1cccc([O-])c1Cl ZINC000508774618 340252868 /nfs/dbraw/zinc/25/28/68/340252868.db2.gz NEFDGYMOPFETNJ-INIZCTEOSA-N -1 3 319.832 3.819 20 0 DHADHM CCCN(C(=O)c1cccc([O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000509082077 340260708 /nfs/dbraw/zinc/26/07/08/340260708.db2.gz IRGDCCHIFHUMDQ-GOSISDBHSA-N -1 3 309.409 3.802 20 0 DHADHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc([O-])c1Cl ZINC000509083957 340260824 /nfs/dbraw/zinc/26/08/24/340260824.db2.gz NSUCNHAZPPTEMD-SJCJKPOMSA-N -1 3 317.816 3.870 20 0 DHADHM O=c1[n-]nc(SC2CCCCC2)n1CCc1ccccc1 ZINC000509103839 340261483 /nfs/dbraw/zinc/26/14/83/340261483.db2.gz RDFSHWRHZKLOBZ-UHFFFAOYSA-N -1 3 303.431 3.651 20 0 DHADHM O=C(NCCCCCOC1CCCCC1)c1cccc([O-])c1 ZINC000509137262 340262083 /nfs/dbraw/zinc/26/20/83/340262083.db2.gz JSKNPCBMMXMLGF-UHFFFAOYSA-N -1 3 305.418 3.642 20 0 DHADHM COc1ccc([C@H](NC(=O)c2cccc(C)c2[O-])C2CC2)cc1 ZINC000302902662 340285807 /nfs/dbraw/zinc/28/58/07/340285807.db2.gz XIMRDONQJIPFGS-QGZVFWFLSA-N -1 3 311.381 3.590 20 0 DHADHM Cc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1[O-] ZINC000302930212 340286981 /nfs/dbraw/zinc/28/69/81/340286981.db2.gz FAQHMZWOZASUEG-OAHLLOKOSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1[O-] ZINC000302934227 340287854 /nfs/dbraw/zinc/28/78/54/340287854.db2.gz HBNCBFYHTXCZRZ-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM CC(C)COc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000510177733 340291725 /nfs/dbraw/zinc/29/17/25/340291725.db2.gz VLNBXPIBWATWJK-UHFFFAOYSA-N -1 3 321.367 3.995 20 0 DHADHM CC(C)(CNCc1c(F)ccc([O-])c1F)c1ccccc1F ZINC000510535183 340302067 /nfs/dbraw/zinc/30/20/67/340302067.db2.gz UBHKNBBKGMNWSA-UHFFFAOYSA-N -1 3 309.331 3.877 20 0 DHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000511696861 340335514 /nfs/dbraw/zinc/33/55/14/340335514.db2.gz ZSYARDUGHZWSDS-GFCCVEGCSA-N -1 3 323.389 3.804 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512020830 340345568 /nfs/dbraw/zinc/34/55/68/340345568.db2.gz ABBVTOOQFUROSG-DTWKUNHWSA-N -1 3 310.246 3.706 20 0 DHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000303774176 340346106 /nfs/dbraw/zinc/34/61/06/340346106.db2.gz NJSLSQSTQUCQIF-BZNIZROVSA-N -1 3 319.788 3.552 20 0 DHADHM [O-]c1cccc(CN2CC[C@H](COc3ccccc3)C2)c1Cl ZINC000512339548 340357892 /nfs/dbraw/zinc/35/78/92/340357892.db2.gz WWLBIIHYAKKWEM-AWEZNQCLSA-N -1 3 317.816 3.947 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000512574204 340367521 /nfs/dbraw/zinc/36/75/21/340367521.db2.gz WNUNRKWLAHXDOM-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000173618397 340369026 /nfs/dbraw/zinc/36/90/26/340369026.db2.gz CMTLUHYVJPVSMV-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCCc2cccc([O-])c21 ZINC000182927269 340485851 /nfs/dbraw/zinc/48/58/51/340485851.db2.gz RYBHDHZPMRPNKH-LAUBAEHRSA-N -1 3 319.404 3.576 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CSc1nccc2ccccc21 ZINC000183079449 340486547 /nfs/dbraw/zinc/48/65/47/340486547.db2.gz CCFWRWOWMCWXHW-UHFFFAOYSA-N -1 3 324.405 3.980 20 0 DHADHM CC(C)COc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000185485203 340501666 /nfs/dbraw/zinc/50/16/66/340501666.db2.gz GEJSKRBEBRKSSG-UHFFFAOYSA-N -1 3 303.377 3.856 20 0 DHADHM CCOc1cc(Cl)ccc1CNCc1cc([O-])cc(F)c1 ZINC000185606670 340503384 /nfs/dbraw/zinc/50/33/84/340503384.db2.gz IEGWXYSSGPOQRE-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)c(C)c1 ZINC000188987902 340523975 /nfs/dbraw/zinc/52/39/75/340523975.db2.gz IMAGRXFLLPGINU-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)c1cccs1 ZINC000232515200 340633124 /nfs/dbraw/zinc/63/31/24/340633124.db2.gz ROIUREUJNBTWLS-UHFFFAOYSA-N -1 3 309.818 3.815 20 0 DHADHM CC[C@@H](C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000303748964 340640797 /nfs/dbraw/zinc/64/07/97/340640797.db2.gz BFZCIJZSZXAEQF-FZKQIMNGSA-N -1 3 315.388 3.977 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)c(F)c1 ZINC000303746889 340640850 /nfs/dbraw/zinc/64/08/50/340640850.db2.gz ZZVRKBQMZQDOBZ-CQSZACIVSA-N -1 3 321.417 3.790 20 0 DHADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235675184 340661179 /nfs/dbraw/zinc/66/11/79/340661179.db2.gz QGELQTHRMJXUHF-SECBINFHSA-N -1 3 307.802 3.867 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000236605615 340663028 /nfs/dbraw/zinc/66/30/28/340663028.db2.gz PDPRQCGHJLAHDN-CYBMUJFWSA-N -1 3 301.773 3.675 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCC12CC2 ZINC000528907740 340738545 /nfs/dbraw/zinc/73/85/45/340738545.db2.gz YVYSMZUEEITJDP-JTQLQIEISA-N -1 3 310.191 3.674 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1F ZINC000538012463 340807237 /nfs/dbraw/zinc/80/72/37/340807237.db2.gz QIVLQAPUDURIMW-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128565064 340897036 /nfs/dbraw/zinc/89/70/36/340897036.db2.gz YUCSKQUAXJMPOE-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM CC(=O)C[C@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000539873891 340907762 /nfs/dbraw/zinc/90/77/62/340907762.db2.gz OXFJGJIKZBGVDK-LBPRGKRZSA-N -1 3 305.418 3.736 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000540206492 340923481 /nfs/dbraw/zinc/92/34/81/340923481.db2.gz RFXAFGGXELCMBD-HOTGVXAUSA-N -1 3 319.426 3.593 20 0 DHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129641836 340978129 /nfs/dbraw/zinc/97/81/29/340978129.db2.gz HRSAEJIUMIUNIR-UHFFFAOYSA-N -1 3 317.360 3.981 20 0 DHADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1[O-] ZINC000129762522 340985844 /nfs/dbraw/zinc/98/58/44/340985844.db2.gz AWSJEDVUFLWSFN-LLVKDONJSA-N -1 3 305.374 3.898 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc3c(c2)COC3)c1[O-] ZINC000542650417 341015634 /nfs/dbraw/zinc/01/56/34/341015634.db2.gz SSSRACBLDDUCSD-UHFFFAOYSA-N -1 3 317.772 3.565 20 0 DHADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000130712787 341039758 /nfs/dbraw/zinc/03/97/58/341039758.db2.gz MXPNVJIATVLLRL-UHFFFAOYSA-N -1 3 310.413 3.745 20 0 DHADHM COc1cccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1 ZINC000132005700 341114801 /nfs/dbraw/zinc/11/48/01/341114801.db2.gz WQUBYYSVRYLOQK-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM O=C([N-]c1ccncc1F)c1occc1COc1ccccc1 ZINC000132230747 341118927 /nfs/dbraw/zinc/11/89/27/341118927.db2.gz CURLILJUGUJUKL-UHFFFAOYSA-N -1 3 312.300 3.645 20 0 DHADHM CCc1cccc(-c2nc(-c3n[nH]c4ccccc43)no2)c1[O-] ZINC000545722404 341137947 /nfs/dbraw/zinc/13/79/47/341137947.db2.gz OVMIYMWPEOOBCS-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000076195306 341203796 /nfs/dbraw/zinc/20/37/96/341203796.db2.gz YAOMHUFHIMSBQN-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC000076513309 341208760 /nfs/dbraw/zinc/20/87/60/341208760.db2.gz LIOMPDBWXMHVSI-HNNXBMFYSA-N -1 3 313.372 3.545 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc(C3CC3)cn2)c2c([O-])cccc21 ZINC000547367453 341209307 /nfs/dbraw/zinc/20/93/07/341209307.db2.gz GIIWYJLMLPPIOX-LBPRGKRZSA-N -1 3 308.381 3.819 20 0 DHADHM CCc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[O-] ZINC000547522495 341220356 /nfs/dbraw/zinc/22/03/56/341220356.db2.gz BSYJVYMHARHWDL-UHFFFAOYSA-N -1 3 307.393 3.642 20 0 DHADHM Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)[n-]c(=O)c2c1 ZINC000077257346 341221741 /nfs/dbraw/zinc/22/17/41/341221741.db2.gz BYILCJWOOXPDHG-UHFFFAOYSA-N -1 3 304.271 3.917 20 0 DHADHM COC1CCC(Cc2noc(/C=C/c3cccc([O-])c3)n2)CC1 ZINC000547700849 341227335 /nfs/dbraw/zinc/22/73/35/341227335.db2.gz ZTDCREJWKCCOLX-JXMROGBWSA-N -1 3 314.385 3.693 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(F)ccc1F ZINC000078490934 341242923 /nfs/dbraw/zinc/24/29/23/341242923.db2.gz VNMPPCCARGOQKH-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1[O-] ZINC000078577306 341244304 /nfs/dbraw/zinc/24/43/04/341244304.db2.gz OBBAIOJEMNNFHN-HNNXBMFYSA-N -1 3 315.344 3.517 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NCCc1ccc(Cl)cc1 ZINC000136043746 341251408 /nfs/dbraw/zinc/25/14/08/341251408.db2.gz BFPAFZBKAQNLND-UHFFFAOYSA-N -1 3 324.207 3.600 20 0 DHADHM CCc1cccc(C(=O)N2CCN(C3CC3)c3ccccc32)c1[O-] ZINC000548641512 341268358 /nfs/dbraw/zinc/26/83/58/341268358.db2.gz VNZFGQDJSPRJTK-UHFFFAOYSA-N -1 3 322.408 3.584 20 0 DHADHM CCOCCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459997 341291684 /nfs/dbraw/zinc/29/16/84/341291684.db2.gz QXVHVMBWMHDZFM-UHFFFAOYSA-N -1 3 313.397 3.738 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000549807923 341303531 /nfs/dbraw/zinc/30/35/31/341303531.db2.gz MHBLIKKGOSLTMH-SNVBAGLBSA-N -1 3 323.318 3.973 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)[n-]n2)c2ccccc21 ZINC000549807923 341303532 /nfs/dbraw/zinc/30/35/32/341303532.db2.gz MHBLIKKGOSLTMH-SNVBAGLBSA-N -1 3 323.318 3.973 20 0 DHADHM Cc1cccc(O[C@@H](C)CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000551104469 341331859 /nfs/dbraw/zinc/33/18/59/341331859.db2.gz HYMZNSBZANKNMT-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM C[C@H]1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)c2c([O-])cccc21 ZINC000551960954 341356204 /nfs/dbraw/zinc/35/62/04/341356204.db2.gz DZPMZUUFUHQMMW-SWLSCSKDSA-N -1 3 323.392 3.668 20 0 DHADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000247619889 341368022 /nfs/dbraw/zinc/36/80/22/341368022.db2.gz SYFRJBMLGPYGLM-AXAPSJFSSA-N -1 3 307.821 3.768 20 0 DHADHM C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)[C@H]2CCCC[C@@H]12 ZINC000248395356 341376476 /nfs/dbraw/zinc/37/64/76/341376476.db2.gz YSGSQCRQCGBPLD-WPGHFRTFSA-N -1 3 307.821 3.625 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1O ZINC000552287071 341384275 /nfs/dbraw/zinc/38/42/75/341384275.db2.gz HLQRVQCARYIBFN-UHFFFAOYSA-N -1 3 321.332 3.706 20 0 DHADHM CC(C)(C)c1nc(CC(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000552436794 341393731 /nfs/dbraw/zinc/39/37/31/341393731.db2.gz XXQNYGIULIWVKI-UHFFFAOYSA-N -1 3 324.833 3.981 20 0 DHADHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc([O-])c2)cc1 ZINC000554020574 341440791 /nfs/dbraw/zinc/44/07/91/341440791.db2.gz RFQCNFDHOTZNOX-CQSZACIVSA-N -1 3 313.397 3.713 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC1CCCCCC1 ZINC000093317163 341466026 /nfs/dbraw/zinc/46/60/26/341466026.db2.gz MMSFGERGMXJSFM-UHFFFAOYSA-N -1 3 322.405 3.713 20 0 DHADHM C[C@@H](NCc1ncccc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000554860310 341467120 /nfs/dbraw/zinc/46/71/20/341467120.db2.gz COSSARTUKWFUCG-CQSZACIVSA-N -1 3 305.381 3.700 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1OC(F)F ZINC000153438276 341540241 /nfs/dbraw/zinc/54/02/41/341540241.db2.gz BNICRESDYUERIE-UHFFFAOYSA-N -1 3 319.716 3.961 20 0 DHADHM O=C([O-])c1ccc(CN2CCc3ccccc3CC2)cc1Cl ZINC000565957308 341543736 /nfs/dbraw/zinc/54/37/36/341543736.db2.gz NLDBPNOYBAOJFI-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000155274230 341605463 /nfs/dbraw/zinc/60/54/63/341605463.db2.gz YZFDLTXBWGUJJQ-INIZCTEOSA-N -1 3 315.388 3.662 20 0 DHADHM O=C(c1cc2cc(F)ccc2o1)N1CCCc2cccc([O-])c21 ZINC000155557758 341609170 /nfs/dbraw/zinc/60/91/70/341609170.db2.gz UMYUWQDJIIYZCS-UHFFFAOYSA-N -1 3 311.312 3.871 20 0 DHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000574772019 341768589 /nfs/dbraw/zinc/76/85/89/341768589.db2.gz WTKZGNXIEDTMNZ-QRWLVFNGSA-N -1 3 324.424 3.638 20 0 DHADHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H](C)C1 ZINC000575908022 341814077 /nfs/dbraw/zinc/81/40/77/341814077.db2.gz HHOJYBFYZUCJCZ-UWVGGRQHSA-N -1 3 319.829 3.582 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1csc(C(F)(F)F)n1 ZINC000575944098 341816403 /nfs/dbraw/zinc/81/64/03/341816403.db2.gz WKTYRBRWHLWKKR-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM [O-]c1ccc(CCCc2nc(-c3cccc(F)c3)no2)cc1F ZINC000576430851 341845858 /nfs/dbraw/zinc/84/58/58/341845858.db2.gz YURBHGFNOSRHBE-UHFFFAOYSA-N -1 3 316.307 3.896 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000576637311 341856361 /nfs/dbraw/zinc/85/63/61/341856361.db2.gz VIFPLLVOZAEIIR-KGLIPLIRSA-N -1 3 316.426 3.543 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1F ZINC000176430675 341874597 /nfs/dbraw/zinc/87/45/97/341874597.db2.gz YSIGXKIKZZNCGD-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM CCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448897917 517600785 /nfs/dbraw/zinc/60/07/85/517600785.db2.gz SYHYAGJDIZXOTE-INIZCTEOSA-N -1 3 315.388 3.601 20 0 DHADHM [O-]c1cccc(CN2CCC(C(F)F)CC2)c1Br ZINC000315684335 518203654 /nfs/dbraw/zinc/20/36/54/518203654.db2.gz WBPCCGHMNYVCBJ-UHFFFAOYSA-N -1 3 320.177 3.632 20 0 DHADHM CC(C)COc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156612050 519764590 /nfs/dbraw/zinc/76/45/90/519764590.db2.gz JADHJDWLPRZMNB-UHFFFAOYSA-N -1 3 320.311 3.727 20 0 DHADHM CC(C)COc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156612050 519764591 /nfs/dbraw/zinc/76/45/91/519764591.db2.gz JADHJDWLPRZMNB-UHFFFAOYSA-N -1 3 320.311 3.727 20 0 DHADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)Cc1ccsc1 ZINC000186370737 520088750 /nfs/dbraw/zinc/08/87/50/520088750.db2.gz ABIASYOETPOBRN-GFCCVEGCSA-N -1 3 319.426 3.556 20 0 DHADHM CC1CCC(NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000338817964 520952723 /nfs/dbraw/zinc/95/27/23/520952723.db2.gz WGZYCSQTRBCLDI-UHFFFAOYSA-N -1 3 301.308 3.720 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(OC)c(OC)cc2F)on1 ZINC000154847632 522422999 /nfs/dbraw/zinc/42/29/99/522422999.db2.gz FXARWFXKEDAZMR-SECBINFHSA-N -1 3 322.336 3.597 20 0 DHADHM CCc1ncsc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186342422 522614974 /nfs/dbraw/zinc/61/49/74/522614974.db2.gz BLGGXKRWOMJFIG-SNVBAGLBSA-N -1 3 302.399 3.565 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c([O-])c1 ZINC000191326946 523880653 /nfs/dbraw/zinc/88/06/53/523880653.db2.gz WQNZBSOOEAIYKY-NSHDSACASA-N -1 3 318.442 3.861 20 0 DHADHM Cc1cccc(NC2CCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000157775701 524672090 /nfs/dbraw/zinc/67/20/90/524672090.db2.gz LELVNUZXSJDAGS-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000179550346 524702944 /nfs/dbraw/zinc/70/29/44/524702944.db2.gz MGKCJNSUUSCSHU-WFASDCNBSA-N -1 3 324.380 3.547 20 0 DHADHM Cc1c(C(=O)[N-]c2cc(F)c(F)cc2F)oc2c1C(=O)CCC2 ZINC000264250800 525653492 /nfs/dbraw/zinc/65/34/92/525653492.db2.gz OTDUFQDPWTYBMD-UHFFFAOYSA-N -1 3 323.270 3.777 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1[O-] ZINC000365012324 525800127 /nfs/dbraw/zinc/80/01/27/525800127.db2.gz MNULKJSYKBCPFE-CJTWTEFWSA-N -1 3 323.392 3.719 20 0 DHADHM CSc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000156158540 526034838 /nfs/dbraw/zinc/03/48/38/526034838.db2.gz QVLDBRJNLXDOLR-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000156158540 526034845 /nfs/dbraw/zinc/03/48/45/526034845.db2.gz QVLDBRJNLXDOLR-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccccc1[C@@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000337376335 526187221 /nfs/dbraw/zinc/18/72/21/526187221.db2.gz RUOPBGCQAHJNOW-VXGBXAGGSA-N -1 3 303.431 3.624 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000364843614 526334546 /nfs/dbraw/zinc/33/45/46/526334546.db2.gz LMZMVZITVJTYAQ-UHFFFAOYSA-N -1 3 308.356 3.883 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccoc1)C1CCCCC1 ZINC000129445351 526703123 /nfs/dbraw/zinc/70/31/23/526703123.db2.gz BPORUANDDTWLBC-UHFFFAOYSA-N -1 3 315.369 3.666 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)cccc1Cl ZINC000182713347 527528328 /nfs/dbraw/zinc/52/83/28/527528328.db2.gz HQXHUWCGPBGCRN-UHFFFAOYSA-N -1 3 322.771 3.828 20 0 DHADHM CC[C@H]1c2ccccc2CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736412249 598914355 /nfs/dbraw/zinc/91/43/55/598914355.db2.gz RXGWZKUJMKPRAQ-HNNXBMFYSA-N -1 3 323.375 3.520 20 0 DHADHM CC[C@H]1c2ccccc2CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736412249 598914357 /nfs/dbraw/zinc/91/43/57/598914357.db2.gz RXGWZKUJMKPRAQ-HNNXBMFYSA-N -1 3 323.375 3.520 20 0 DHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](C)c2cccc(C)c2C)n1 ZINC000737247081 599065957 /nfs/dbraw/zinc/06/59/57/599065957.db2.gz ZCBBBFDXNKQIJB-AWEZNQCLSA-N -1 3 322.416 3.668 20 0 DHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](C)c2cccc(C)c2C)n1 ZINC000737247081 599065960 /nfs/dbraw/zinc/06/59/60/599065960.db2.gz ZCBBBFDXNKQIJB-AWEZNQCLSA-N -1 3 322.416 3.668 20 0 DHADHM Cc1ccc(Cl)cc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822240010 599083749 /nfs/dbraw/zinc/08/37/49/599083749.db2.gz OHTBWKSEDBHARS-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM Cc1ccc(Cl)cc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822240010 599083752 /nfs/dbraw/zinc/08/37/52/599083752.db2.gz OHTBWKSEDBHARS-UHFFFAOYSA-N -1 3 322.155 3.669 20 0 DHADHM CC(C)(C)C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000735592959 599119164 /nfs/dbraw/zinc/11/91/64/599119164.db2.gz DHBZMWSYFIAFTR-HNNXBMFYSA-N -1 3 322.416 3.851 20 0 DHADHM CC(C)(C)C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000735592959 599119165 /nfs/dbraw/zinc/11/91/65/599119165.db2.gz DHBZMWSYFIAFTR-HNNXBMFYSA-N -1 3 322.416 3.851 20 0 DHADHM C[C@@H](CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736046965 599168355 /nfs/dbraw/zinc/16/83/55/599168355.db2.gz NWEXUFJVBXYDLS-NSHDSACASA-N -1 3 314.389 3.902 20 0 DHADHM C[C@@H](CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736046965 599168358 /nfs/dbraw/zinc/16/83/58/599168358.db2.gz NWEXUFJVBXYDLS-NSHDSACASA-N -1 3 314.389 3.902 20 0 DHADHM CCCCCC[C@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736443623 599186211 /nfs/dbraw/zinc/18/62/11/599186211.db2.gz AXIDSIGRGWRDNX-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCCC[C@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736443623 599186212 /nfs/dbraw/zinc/18/62/12/599186212.db2.gz AXIDSIGRGWRDNX-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736436122 599224290 /nfs/dbraw/zinc/22/42/90/599224290.db2.gz AZDNLKJHNJKSDF-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736436122 599224293 /nfs/dbraw/zinc/22/42/93/599224293.db2.gz AZDNLKJHNJKSDF-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCSc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821460883 607316860 /nfs/dbraw/zinc/31/68/60/607316860.db2.gz GAYLEGZDQWUNJX-UHFFFAOYSA-N -1 3 317.443 3.652 20 0 DHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000822209396 607318740 /nfs/dbraw/zinc/31/87/40/607318740.db2.gz HHGOKEQCSJZBAD-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000822209396 607318741 /nfs/dbraw/zinc/31/87/41/607318741.db2.gz HHGOKEQCSJZBAD-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736193901 598242874 /nfs/dbraw/zinc/24/28/74/598242874.db2.gz UJNZIZXPTXEGRP-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Cc1cc(CSCc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000737262833 598313161 /nfs/dbraw/zinc/31/31/61/598313161.db2.gz GNDWZPCCVJUOHR-UHFFFAOYSA-N -1 3 316.455 3.978 20 0 DHADHM Cc1cc(CSCc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000737262833 598313163 /nfs/dbraw/zinc/31/31/63/598313163.db2.gz GNDWZPCCVJUOHR-UHFFFAOYSA-N -1 3 316.455 3.978 20 0 DHADHM Fc1ccc(COc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000737651850 598675363 /nfs/dbraw/zinc/67/53/63/598675363.db2.gz YUYYBUOIOINOCH-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1ccc(COc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000737651850 598675365 /nfs/dbraw/zinc/67/53/65/598675365.db2.gz YUYYBUOIOINOCH-UHFFFAOYSA-N -1 3 320.327 3.738 20 0 DHADHM Fc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737651300 598695699 /nfs/dbraw/zinc/69/56/99/598695699.db2.gz VQTWXYBOBOQAQR-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737651300 598695700 /nfs/dbraw/zinc/69/57/00/598695700.db2.gz VQTWXYBOBOQAQR-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cccs1 ZINC000736136791 598791362 /nfs/dbraw/zinc/79/13/62/598791362.db2.gz HMAOSNPZXDYGJY-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cccs1 ZINC000736136791 598791364 /nfs/dbraw/zinc/79/13/64/598791364.db2.gz HMAOSNPZXDYGJY-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736197899 598814723 /nfs/dbraw/zinc/81/47/23/598814723.db2.gz DBFVYGBTRNSUGW-LLVKDONJSA-N -1 3 313.792 3.718 20 0 DHADHM C[C@H](Nc1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736138887 599324935 /nfs/dbraw/zinc/32/49/35/599324935.db2.gz SCNNGDTZAQLLGU-JTQLQIEISA-N -1 3 315.327 3.977 20 0 DHADHM C[C@H](Nc1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138887 599324937 /nfs/dbraw/zinc/32/49/37/599324937.db2.gz SCNNGDTZAQLLGU-JTQLQIEISA-N -1 3 315.327 3.977 20 0 DHADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](C)c2ccccc21 ZINC000736289044 599338272 /nfs/dbraw/zinc/33/82/72/599338272.db2.gz CHMVPQKLCFLKHF-OLZOCXBDSA-N -1 3 305.385 3.551 20 0 DHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](C)c2ccccc21 ZINC000736289044 599338274 /nfs/dbraw/zinc/33/82/74/599338274.db2.gz CHMVPQKLCFLKHF-OLZOCXBDSA-N -1 3 305.385 3.551 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735994460 599397045 /nfs/dbraw/zinc/39/70/45/599397045.db2.gz YOCQYXTXBXPASG-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735994460 599397048 /nfs/dbraw/zinc/39/70/48/599397048.db2.gz YOCQYXTXBXPASG-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](SCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000736192750 599521496 /nfs/dbraw/zinc/52/14/96/599521496.db2.gz MAQPUBVVTNVYQS-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM C[C@H](SCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000736192750 599521498 /nfs/dbraw/zinc/52/14/98/599521498.db2.gz MAQPUBVVTNVYQS-JTQLQIEISA-N -1 3 302.428 3.923 20 0 DHADHM C[C@@H](Sc1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000736194025 599532101 /nfs/dbraw/zinc/53/21/01/599532101.db2.gz WOFXMMUUFRKNBU-SSDOTTSWSA-N -1 3 323.834 3.830 20 0 DHADHM C[C@@H](Sc1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000736194025 599532098 /nfs/dbraw/zinc/53/20/98/599532098.db2.gz WOFXMMUUFRKNBU-SSDOTTSWSA-N -1 3 323.834 3.830 20 0 DHADHM O=C([O-])[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000387675292 599758766 /nfs/dbraw/zinc/75/87/66/599758766.db2.gz CSVGBRUODZITEX-AWEZNQCLSA-N -1 3 309.287 3.621 20 0 DHADHM COc1ccc(CN(Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000263495348 599994164 /nfs/dbraw/zinc/99/41/64/599994164.db2.gz SPQDOQVOFJLAAS-UHFFFAOYSA-N -1 3 311.381 3.558 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000740077048 600089432 /nfs/dbraw/zinc/08/94/32/600089432.db2.gz BAAOHVAZTMLRCI-KRWDZBQOSA-N -1 3 315.344 3.567 20 0 DHADHM CC[C@@](NCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000041753513 600131082 /nfs/dbraw/zinc/13/10/82/600131082.db2.gz DVECYOYDXNMPJD-KRWDZBQOSA-N -1 3 303.789 3.820 20 0 DHADHM Cc1ccc([C@H]2CCCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000566357973 600217750 /nfs/dbraw/zinc/21/77/50/600217750.db2.gz BMQDOTUKLFQEKJ-MRXNPFEDSA-N -1 3 315.369 3.502 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCS[C@H](c2ccccc2)C1 ZINC000738963106 600412624 /nfs/dbraw/zinc/41/26/24/600412624.db2.gz HAYHQLFYGILFJF-INIZCTEOSA-N -1 3 317.410 3.576 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000582306123 600432227 /nfs/dbraw/zinc/43/22/27/600432227.db2.gz BVXNSTCDILLJKJ-UKRRQHHQSA-N -1 3 309.356 3.603 20 0 DHADHM Clc1ccc(Cl)c(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822573955 607453440 /nfs/dbraw/zinc/45/34/40/607453440.db2.gz LJJFVKHLKFIQIN-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM Clc1ccc(Cl)c(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822573955 607453441 /nfs/dbraw/zinc/45/34/41/607453441.db2.gz LJJFVKHLKFIQIN-UHFFFAOYSA-N -1 3 321.167 3.753 20 0 DHADHM CC[C@](C)(NCc1nc2ccccc2c(C)c1Cl)C(=O)[O-] ZINC000094229207 600562155 /nfs/dbraw/zinc/56/21/55/600562155.db2.gz RPSDZWZEOYEXCL-INIZCTEOSA-N -1 3 306.793 3.540 20 0 DHADHM CC(C)n1c2ccccc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000820211821 607457563 /nfs/dbraw/zinc/45/75/63/607457563.db2.gz YHXVHESSOXOTQC-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM CC(C)n1c2ccccc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000820211821 607457565 /nfs/dbraw/zinc/45/75/65/607457565.db2.gz YHXVHESSOXOTQC-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736663607 600639809 /nfs/dbraw/zinc/63/98/09/600639809.db2.gz CJJCGUFIFFOFBB-GFCCVEGCSA-N -1 3 319.788 3.654 20 0 DHADHM Cc1ccc(-c2cnc(CN(CCC(=O)[O-])CC(C)C)o2)cc1 ZINC000567055076 600820697 /nfs/dbraw/zinc/82/06/97/600820697.db2.gz MQBPZYCEFITPFY-UHFFFAOYSA-N -1 3 316.401 3.583 20 0 DHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000566363217 600836170 /nfs/dbraw/zinc/83/61/70/600836170.db2.gz YFJNZBRCWRHSLO-NHYWBVRUSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1coc(CN2CC[C@H](CSc3ccccc3)C2)c1 ZINC000579364369 600846830 /nfs/dbraw/zinc/84/68/30/600846830.db2.gz FYBJSLXSSNCQLO-ZDUSSCGKSA-N -1 3 317.410 3.592 20 0 DHADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832921665 601500183 /nfs/dbraw/zinc/50/01/83/601500183.db2.gz UMLQJYQYCBRLJT-MEDUHNTESA-N -1 3 305.324 3.750 20 0 DHADHM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000566508724 601613569 /nfs/dbraw/zinc/61/35/69/601613569.db2.gz LEZVCXBHHJPKRS-UHFFFAOYSA-N -1 3 317.360 3.555 20 0 DHADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827934363 601616028 /nfs/dbraw/zinc/61/60/28/601616028.db2.gz FHSXKLIXNDWSDS-NSHDSACASA-N -1 3 305.324 3.856 20 0 DHADHM CCN(Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000519702875 601619768 /nfs/dbraw/zinc/61/97/68/601619768.db2.gz DRMTYHCUHQYEQK-UHFFFAOYSA-N -1 3 317.360 3.555 20 0 DHADHM O=C([O-])c1sccc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000833348701 601808703 /nfs/dbraw/zinc/80/87/03/601808703.db2.gz PPGXKDKRCRIWRJ-OAHLLOKOSA-N -1 3 316.426 3.959 20 0 DHADHM O=C([O-])c1sccc1CN1CCC(OC2CCCCC2)CC1 ZINC000833347796 601811973 /nfs/dbraw/zinc/81/19/73/601811973.db2.gz UCNRCDYRYDWUFB-UHFFFAOYSA-N -1 3 323.458 3.760 20 0 DHADHM CC(C)N(Cc1ccc(C(=O)[O-])s1)Cc1ccc(F)cc1 ZINC000826951248 601944716 /nfs/dbraw/zinc/94/47/16/601944716.db2.gz ASNBPLARCFSHON-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM COCCN(Cc1ccc(C(=O)[O-])s1)[C@H](C)c1ccccc1 ZINC000831735346 601945092 /nfs/dbraw/zinc/94/50/92/601945092.db2.gz PWGODRUHYZVVOH-CYBMUJFWSA-N -1 3 319.426 3.656 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1coc(-c2cccc(Cl)c2)n1 ZINC000828664734 602216678 /nfs/dbraw/zinc/21/66/78/602216678.db2.gz HELKFWAKWQEECI-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1coc(-c2cccc(Cl)c2)n1 ZINC000828664733 602216754 /nfs/dbraw/zinc/21/67/54/602216754.db2.gz HELKFWAKWQEECI-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(C2CCCCC2)n1 ZINC000828672501 602221182 /nfs/dbraw/zinc/22/11/82/602221182.db2.gz SOKCBBYTEOONSD-MRXNPFEDSA-N -1 3 310.463 3.924 20 0 DHADHM O=C([O-])N[C@H](CNCc1ccc(Cl)s1)c1ccccc1 ZINC000832139718 603176695 /nfs/dbraw/zinc/17/66/95/603176695.db2.gz BVGNYFLCWKNBPX-GFCCVEGCSA-N -1 3 310.806 3.500 20 0 DHADHM Cc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)c(C)c1 ZINC000830325213 603852832 /nfs/dbraw/zinc/85/28/32/603852832.db2.gz YPHSLUYBENVRMQ-UHFFFAOYSA-N -1 3 310.397 3.634 20 0 DHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000827718606 604292547 /nfs/dbraw/zinc/29/25/47/604292547.db2.gz WTBGYVPCZKCSNI-MWLCHTKSSA-N -1 3 317.216 3.786 20 0 DHADHM c1cc2cccc(NCc3ccccc3-c3nnn[n-]3)c2s1 ZINC000826519710 607688640 /nfs/dbraw/zinc/68/86/40/607688640.db2.gz KURVRXVQENANPK-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1cc2cccc(NCc3ccccc3-c3nn[n-]n3)c2s1 ZINC000826519710 607688642 /nfs/dbraw/zinc/68/86/42/607688642.db2.gz KURVRXVQENANPK-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Cc1cc([C@@H](C)N(C)CCOc2ccccc2C)oc1C(=O)[O-] ZINC000571887562 604381688 /nfs/dbraw/zinc/38/16/88/604381688.db2.gz GEVNDIYRUCBXDB-CQSZACIVSA-N -1 3 317.385 3.666 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000826106004 604628597 /nfs/dbraw/zinc/62/85/97/604628597.db2.gz PBHVKAIGLNKJGP-HNNXBMFYSA-N -1 3 318.804 3.677 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000826105648 604628658 /nfs/dbraw/zinc/62/86/58/604628658.db2.gz FGRSUQHNPFNDNW-INIZCTEOSA-N -1 3 319.351 3.907 20 0 DHADHM C[C@H](NC1CCN(C(=O)[O-])CC1)c1cc(Cl)sc1Cl ZINC000825478209 604980734 /nfs/dbraw/zinc/98/07/34/604980734.db2.gz FQDUGGCWGXOWCA-ZETCQYMHSA-N -1 3 323.245 3.848 20 0 DHADHM Cc1ccc(-c2nc(CNCCCCCC(=O)[O-])cs2)cc1 ZINC000277082776 605122256 /nfs/dbraw/zinc/12/22/56/605122256.db2.gz WTAFHLZYROYFRH-UHFFFAOYSA-N -1 3 318.442 3.853 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000833413622 605177702 /nfs/dbraw/zinc/17/77/02/605177702.db2.gz IWVIDZUAKINEOT-OAHLLOKOSA-N -1 3 318.804 3.677 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cnc(Cl)s1)c1ccccc1 ZINC000833412985 605180431 /nfs/dbraw/zinc/18/04/31/605180431.db2.gz GCXRKHAUIMVYSP-GFCCVEGCSA-N -1 3 324.833 3.738 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1cc(F)cc(F)c1 ZINC000834264035 605574014 /nfs/dbraw/zinc/57/40/14/605574014.db2.gz XTTUFJAHVQZNFO-INIZCTEOSA-N -1 3 318.323 3.832 20 0 DHADHM Cc1cccnc1[C@H](NCc1cccc(NC(=O)[O-])c1)C(C)C ZINC000833909478 605605317 /nfs/dbraw/zinc/60/53/17/605605317.db2.gz BJVZGTGFKQZRLJ-MRXNPFEDSA-N -1 3 313.401 3.967 20 0 DHADHM O=C([O-])Nc1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000834269179 605991913 /nfs/dbraw/zinc/99/19/13/605991913.db2.gz RTXUMYQFWALQIR-NSHDSACASA-N -1 3 302.296 3.551 20 0 DHADHM Cc1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000822280482 606303968 /nfs/dbraw/zinc/30/39/68/606303968.db2.gz PIMWNHMZJPNSKC-AATRIKPKSA-N -1 3 319.393 3.955 20 0 DHADHM Cc1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000822280482 606303970 /nfs/dbraw/zinc/30/39/70/606303970.db2.gz PIMWNHMZJPNSKC-AATRIKPKSA-N -1 3 319.393 3.955 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)C1CC1 ZINC000822743701 606445469 /nfs/dbraw/zinc/44/54/69/606445469.db2.gz DVNHQHJIRQRHQY-MRXNPFEDSA-N -1 3 309.348 3.569 20 0 DHADHM CCCCCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821056858 606446885 /nfs/dbraw/zinc/44/68/85/606446885.db2.gz ZJHLAGGXBGTLMX-UHFFFAOYSA-N -1 3 324.388 3.656 20 0 DHADHM CC(C)(C)c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819958735 606635642 /nfs/dbraw/zinc/63/56/42/606635642.db2.gz PJMXMWBXGKKJIW-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819958735 606635643 /nfs/dbraw/zinc/63/56/43/606635643.db2.gz PJMXMWBXGKKJIW-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM Cc1cccc(Cl)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822303859 606931738 /nfs/dbraw/zinc/93/17/38/606931738.db2.gz MNQGWZHQIGMTKO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(Cl)c1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822303859 606931739 /nfs/dbraw/zinc/93/17/39/606931739.db2.gz MNQGWZHQIGMTKO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000820554927 607014895 /nfs/dbraw/zinc/01/48/95/607014895.db2.gz BROMDLKDCLZQNU-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000820554927 607014897 /nfs/dbraw/zinc/01/48/97/607014897.db2.gz BROMDLKDCLZQNU-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM CCC(CC)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820881898 607243650 /nfs/dbraw/zinc/24/36/50/607243650.db2.gz FCWFUAMFQPGFIA-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM CCC(CC)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820881898 607243651 /nfs/dbraw/zinc/24/36/51/607243651.db2.gz FCWFUAMFQPGFIA-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM Fc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826373918 607915810 /nfs/dbraw/zinc/91/58/10/607915810.db2.gz DVBKMORQPVOOGL-SOFGYWHQSA-N -1 3 323.356 3.786 20 0 DHADHM Fc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826373918 607915811 /nfs/dbraw/zinc/91/58/11/607915811.db2.gz DVBKMORQPVOOGL-SOFGYWHQSA-N -1 3 323.356 3.786 20 0 DHADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1Cl ZINC000826299436 608451986 /nfs/dbraw/zinc/45/19/86/608451986.db2.gz FHQFHOZVRPFWGK-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824755220 609309244 /nfs/dbraw/zinc/30/92/44/609309244.db2.gz KENDANBFGDNEPA-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824755220 609309246 /nfs/dbraw/zinc/30/92/46/609309246.db2.gz KENDANBFGDNEPA-SNVBAGLBSA-N -1 3 323.381 3.861 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826291421 609346957 /nfs/dbraw/zinc/34/69/57/609346957.db2.gz FIUCCBBOPWBOMM-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826291421 609346959 /nfs/dbraw/zinc/34/69/59/609346959.db2.gz FIUCCBBOPWBOMM-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826270547 609348192 /nfs/dbraw/zinc/34/81/92/609348192.db2.gz FKFGXEJPAIWDLL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826270547 609348194 /nfs/dbraw/zinc/34/81/94/609348194.db2.gz FKFGXEJPAIWDLL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM c1cc(-c2nnn[n-]2)sc1CNc1csc2ccccc12 ZINC000826523774 609445390 /nfs/dbraw/zinc/44/53/90/609445390.db2.gz XIZBNCLNUONWFS-UHFFFAOYSA-N -1 3 313.411 3.755 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OC(C)C)c1 ZINC000826278679 609479424 /nfs/dbraw/zinc/47/94/24/609479424.db2.gz NYBOUPDRUGXISB-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC(C)C)c1 ZINC000826278679 609479426 /nfs/dbraw/zinc/47/94/26/609479426.db2.gz NYBOUPDRUGXISB-UHFFFAOYSA-N -1 3 323.400 3.574 20 0 DHADHM CSc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000826231069 609486016 /nfs/dbraw/zinc/48/60/16/609486016.db2.gz VRLAXDLZHKCMPC-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000826231069 609486018 /nfs/dbraw/zinc/48/60/18/609486018.db2.gz VRLAXDLZHKCMPC-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM Fc1cccc(F)c1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826377410 609517747 /nfs/dbraw/zinc/51/77/47/609517747.db2.gz QXEJHQNUELTISQ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(F)c1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826377410 609517748 /nfs/dbraw/zinc/51/77/48/609517748.db2.gz QXEJHQNUELTISQ-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM c1ccc(-c2nnn[n-]2)c(SCc2cccc3cccnc32)c1 ZINC000738424219 945266835 /nfs/dbraw/zinc/26/68/35/945266835.db2.gz COQZUFVLTXDCCA-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc(-c2nn[n-]n2)c(SCc2cccc3cccnc32)c1 ZINC000738424219 945266840 /nfs/dbraw/zinc/26/68/40/945266840.db2.gz COQZUFVLTXDCCA-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM CCCCC[C@H](CC)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825267615 947138046 /nfs/dbraw/zinc/13/80/46/947138046.db2.gz LAORQWHYLTWSHP-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@H](CC)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825267615 947138052 /nfs/dbraw/zinc/13/80/52/947138052.db2.gz LAORQWHYLTWSHP-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825735752 947305292 /nfs/dbraw/zinc/30/52/92/947305292.db2.gz UMEGTFGQORXCFK-OLZOCXBDSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825735752 947305307 /nfs/dbraw/zinc/30/53/07/947305307.db2.gz UMEGTFGQORXCFK-OLZOCXBDSA-N -1 3 307.401 3.731 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013911138 948784330 /nfs/dbraw/zinc/78/43/30/948784330.db2.gz OKXKNWNGCBIZET-AWEZNQCLSA-N -1 3 309.287 3.621 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccc(-c3cccnc3)cc2)cc1 ZINC001595230499 949340463 /nfs/dbraw/zinc/34/04/63/949340463.db2.gz KFMRGQQGADRHFZ-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1F ZINC000180466401 1013094068 /nfs/dbraw/zinc/09/40/68/1013094068.db2.gz AEGBRDQCNLEQSS-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)(C)CCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573845098 950214523 /nfs/dbraw/zinc/21/45/23/950214523.db2.gz QKZODYJLXFBDKQ-UHFFFAOYSA-N -1 3 308.817 3.543 20 0 DHADHM CC(C)(C)CCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573845098 950214541 /nfs/dbraw/zinc/21/45/41/950214541.db2.gz QKZODYJLXFBDKQ-UHFFFAOYSA-N -1 3 308.817 3.543 20 0 DHADHM O=C([O-])CC[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000263089250 950256584 /nfs/dbraw/zinc/25/65/84/950256584.db2.gz IRFJWUGLCOTWAO-LBPRGKRZSA-N -1 3 313.800 3.598 20 0 DHADHM C[C@H](CSc1cc(-c2nnn[n-]2)ccn1)C1CCCCC1 ZINC001575185992 952436335 /nfs/dbraw/zinc/43/63/35/952436335.db2.gz XKXYTJYDLCMPTH-LLVKDONJSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H](CSc1cc(-c2nn[n-]n2)ccn1)C1CCCCC1 ZINC001575185992 952436338 /nfs/dbraw/zinc/43/63/38/952436338.db2.gz XKXYTJYDLCMPTH-LLVKDONJSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(CCc2cccc(Cl)c2Cl)C1 ZINC001589280474 953499111 /nfs/dbraw/zinc/49/91/11/953499111.db2.gz FQLLDOPAZWZIBL-PWSUYJOCSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@H]1C[C@H](C(=O)[O-])CN(CCc2cccc(Cl)c2Cl)C1 ZINC001589280472 953499785 /nfs/dbraw/zinc/49/97/85/953499785.db2.gz FQLLDOPAZWZIBL-JQWIXIFHSA-N -1 3 316.228 3.579 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)s1 ZINC000565107167 953612622 /nfs/dbraw/zinc/61/26/22/953612622.db2.gz WHKMMSPKCWJRJV-SNVBAGLBSA-N -1 3 323.364 3.714 20 0 DHADHM C[C@@H]1CCN(CCc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC001589355332 954129078 /nfs/dbraw/zinc/12/90/78/954129078.db2.gz PJWJZRSYXSBQAY-PWSUYJOCSA-N -1 3 316.228 3.579 20 0 DHADHM O=C([O-])CCCCCNCc1c(Cl)cccc1OC(F)F ZINC000683170275 954603181 /nfs/dbraw/zinc/60/31/81/954603181.db2.gz HQOMLIHPGLRPGK-UHFFFAOYSA-N -1 3 321.751 3.676 20 0 DHADHM Cc1cc(C)cc(CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000901621007 956381495 /nfs/dbraw/zinc/38/14/95/956381495.db2.gz CFFHUCANAIISKG-IBGZPJMESA-N -1 3 309.409 3.530 20 0 DHADHM C[C@](NCc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001262156816 957269176 /nfs/dbraw/zinc/26/91/76/957269176.db2.gz FMTDETSZMDIKLN-MRXNPFEDSA-N -1 3 307.752 3.569 20 0 DHADHM O=C([O-])[C@H]1CCCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086814267 957996406 /nfs/dbraw/zinc/99/64/06/957996406.db2.gz DRGUYHULXWEZEJ-CYBMUJFWSA-N -1 3 302.201 3.823 20 0 DHADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c2nccc(C)c2c1 ZINC000339960597 1013173882 /nfs/dbraw/zinc/17/38/82/1013173882.db2.gz SJUVHVFWYWJEDM-UHFFFAOYSA-N -1 3 324.355 3.626 20 0 DHADHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccnc(Cl)c1 ZINC001603242270 972390780 /nfs/dbraw/zinc/39/07/80/972390780.db2.gz BNLULIBDYMLQAP-COLVAYQJSA-N -1 3 316.788 3.699 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000339983612 1013188750 /nfs/dbraw/zinc/18/87/50/1013188750.db2.gz MKBPBDCMMNDMEP-GFCCVEGCSA-N -1 3 319.763 3.814 20 0 DHADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CCc2c(Cl)cccc2Cl)C1 ZINC001573700129 959823563 /nfs/dbraw/zinc/82/35/63/959823563.db2.gz YXJIZOHSLLBFKZ-GHMZBOCLSA-N -1 3 316.228 3.579 20 0 DHADHM Cc1ccccc1[C@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263442980 962624401 /nfs/dbraw/zinc/62/44/01/962624401.db2.gz XBXYEKZMKJNVHO-IBGZPJMESA-N -1 3 313.372 3.764 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(SC(F)F)cc1 ZINC000155372204 1013386944 /nfs/dbraw/zinc/38/69/44/1013386944.db2.gz QYKGYJXXQVQYAW-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(SC(F)F)cc1 ZINC000155372204 1013386952 /nfs/dbraw/zinc/38/69/52/1013386952.db2.gz QYKGYJXXQVQYAW-NSHDSACASA-N -1 3 318.345 3.581 20 0 DHADHM COc1cc(C(F)(F)F)ccc1Nc1ncc(F)cc1[O-] ZINC001209882656 1013410519 /nfs/dbraw/zinc/41/05/19/1013410519.db2.gz NOYNIURFJUBRFJ-UHFFFAOYSA-N -1 3 302.227 3.697 20 0 DHADHM Cc1ccc(-c2nc(C(=O)Nc3cc(F)ccc3[O-])cs2)o1 ZINC000340328241 1013498116 /nfs/dbraw/zinc/49/81/16/1013498116.db2.gz QDCKEWXYZWLBJO-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC000340375853 1013531311 /nfs/dbraw/zinc/53/13/11/1013531311.db2.gz NLLGTDUXGPIZAX-QMMMGPOBSA-N -1 3 311.715 3.815 20 0 DHADHM COC1(CNC(=O)c2cc([O-])ccc2Cl)CCCCCC1 ZINC000890839897 1013541903 /nfs/dbraw/zinc/54/19/03/1013541903.db2.gz RXDYPIYCFGKZFW-UHFFFAOYSA-N -1 3 311.809 3.515 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000683501852 1013583534 /nfs/dbraw/zinc/58/35/34/1013583534.db2.gz ZIVORXXOLJDFQW-UHFFFAOYSA-N -1 3 304.371 3.622 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)on1 ZINC000440991518 1013650315 /nfs/dbraw/zinc/65/03/15/1013650315.db2.gz OOSYRDYOJUODPQ-UHFFFAOYSA-N -1 3 314.263 3.775 20 0 DHADHM COCCOc1ccc(F)cc1Nc1cccc(Cl)c1[O-] ZINC001210222090 1013710168 /nfs/dbraw/zinc/71/01/68/1013710168.db2.gz NOJYYUSYJVMESJ-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(OC)c1 ZINC001210222069 1013710480 /nfs/dbraw/zinc/71/04/80/1013710480.db2.gz MIJTXINOXOLNTB-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1F ZINC001210223571 1013715155 /nfs/dbraw/zinc/71/51/55/1013715155.db2.gz SPMJAPOPMBYJHM-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cc1ccc(-c2nc(CNC[C@@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000277184192 967904388 /nfs/dbraw/zinc/90/43/88/967904388.db2.gz FMDHISUAGBXUCA-OAHLLOKOSA-N -1 3 318.442 3.565 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)OC2CCCCCC2)c1[O-] ZINC000520439398 1013811378 /nfs/dbraw/zinc/81/13/78/1013811378.db2.gz RPVVEQMLWXGOPB-CYBMUJFWSA-N -1 3 319.401 3.661 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903689502 969587348 /nfs/dbraw/zinc/58/73/48/969587348.db2.gz IVOAGGCEJSGTSL-BDAKNGLRSA-N -1 3 307.337 3.609 20 0 DHADHM [O-]c1cccc(Nc2cccc3c2OCO3)c1Br ZINC001210565684 1013934140 /nfs/dbraw/zinc/93/41/40/1013934140.db2.gz UZVFCKOVUQFCPB-UHFFFAOYSA-N -1 3 308.131 3.627 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(F)cc2F)c(F)c1 ZINC000340534502 1013934935 /nfs/dbraw/zinc/93/49/35/1013934935.db2.gz YDRUNHPEQZPWTN-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM C[C@@H](NCc1csc(C(C)(C)C)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099555 1013994101 /nfs/dbraw/zinc/99/41/01/1013994101.db2.gz XTOMBMZOOOQNRK-KGYLQXTDSA-N -1 3 324.490 3.666 20 0 DHADHM O=C1c2ccc(Nc3cccc([O-])c3Cl)cc2CN1C1CC1 ZINC001210859494 1014074188 /nfs/dbraw/zinc/07/41/88/1014074188.db2.gz JURPUHZFXQMWQI-UHFFFAOYSA-N -1 3 314.772 3.907 20 0 DHADHM O=C([O-])[C@@H]1C[C@@H](NCc2nccc3ccccc32)c2ccccc21 ZINC001605982916 973018373 /nfs/dbraw/zinc/01/83/73/973018373.db2.gz FMMFQTNEPIMMRW-QZTJIDSGSA-N -1 3 318.376 3.638 20 0 DHADHM Cc1cccc([C@H](NCc2ccccc2OC(F)F)C(=O)[O-])c1 ZINC001605330118 973205824 /nfs/dbraw/zinc/20/58/24/973205824.db2.gz NUGSISACDRREPX-HNNXBMFYSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC000568067194 974659151 /nfs/dbraw/zinc/65/91/51/974659151.db2.gz OQCOCKQTWMQILE-OLZOCXBDSA-N -1 3 316.426 3.528 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1Br ZINC000573330977 974764520 /nfs/dbraw/zinc/76/45/20/974764520.db2.gz HKTNAWQVQKIGHG-NXEZZACHSA-N -1 3 312.207 3.520 20 0 DHADHM CCc1ccc(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000625971647 975067563 /nfs/dbraw/zinc/06/75/63/975067563.db2.gz ONNKBNYLGPSXLR-UHFFFAOYSA-N -1 3 313.397 3.920 20 0 DHADHM Cc1cccc(CCCN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000652469973 975543577 /nfs/dbraw/zinc/54/35/77/975543577.db2.gz KCGYOXBGKDBIRF-LJQANCHMSA-N -1 3 309.409 3.612 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1NC1CCC1 ZINC000652790109 1014284254 /nfs/dbraw/zinc/28/42/54/1014284254.db2.gz NLBFKDNPCSPDDE-UHFFFAOYSA-N -1 3 314.360 3.677 20 0 DHADHM Cc1ccnc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000659793078 975880218 /nfs/dbraw/zinc/88/02/18/975880218.db2.gz GAFFTWLOQWDABY-UHFFFAOYSA-N -1 3 324.424 3.543 20 0 DHADHM CC(C)c1[nH]c(CN2CCSC(C)(C)CC2)cc1C(=O)[O-] ZINC001591913122 976354492 /nfs/dbraw/zinc/35/44/92/976354492.db2.gz XXSDZLCWBDJVFX-UHFFFAOYSA-N -1 3 310.463 3.554 20 0 DHADHM CC(C)c1[nH]c(CNC(C)(C)c2cccs2)cc1C(=O)[O-] ZINC001591915502 976358906 /nfs/dbraw/zinc/35/89/06/976358906.db2.gz BWFCNVMKFOVARS-UHFFFAOYSA-N -1 3 306.431 3.923 20 0 DHADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001141623170 1014346590 /nfs/dbraw/zinc/34/65/90/1014346590.db2.gz XRZUAWURCNZZAP-OTYXRUKQSA-N -1 3 312.207 3.920 20 0 DHADHM CCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614598123 1014354839 /nfs/dbraw/zinc/35/48/39/1014354839.db2.gz JJLQLCYFNGJOOV-SECBINFHSA-N -1 3 310.246 3.769 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cc(Cl)ccc1Cl)CC2 ZINC000711653154 977562622 /nfs/dbraw/zinc/56/26/22/977562622.db2.gz IFZMLRIBPFEAPI-HIFRSBDPSA-N -1 3 314.212 3.823 20 0 DHADHM [O-]c1cc(F)c(Nc2cnc(F)c(Br)c2)cc1F ZINC001215569636 1014478216 /nfs/dbraw/zinc/47/82/16/1014478216.db2.gz ABGMWJXRMUODRQ-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM O=C([O-])C[C@@H]1CCCCN1Cc1cc2ccccc2nc1Cl ZINC000844836408 979400438 /nfs/dbraw/zinc/40/04/38/979400438.db2.gz CHFTZWJEVNQNRW-AWEZNQCLSA-N -1 3 318.804 3.717 20 0 DHADHM C[C@H](Oc1cccc([O-])c1Cl)c1cc(Br)no1 ZINC001226710314 1014581078 /nfs/dbraw/zinc/58/10/78/1014581078.db2.gz YNTQDCNQHCGEGC-LURJTMIESA-N -1 3 318.554 3.936 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1[O-] ZINC000581206724 1014615692 /nfs/dbraw/zinc/61/56/92/1014615692.db2.gz CPKPQUHEAIFZQL-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM COc1cc(CC(=O)Nc2cc(Cl)ccc2[O-])ccc1C ZINC000520974273 1014620462 /nfs/dbraw/zinc/62/04/62/1014620462.db2.gz ZLUBVZQSFXMZOD-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM CCc1oc(CN2CCSC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000901436681 980284444 /nfs/dbraw/zinc/28/44/44/980284444.db2.gz XLDKSOYTMXCPPG-UHFFFAOYSA-N -1 3 323.458 3.792 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CC(C(C)C)C(C)C)CC2 ZINC000901551733 980377135 /nfs/dbraw/zinc/37/71/35/980377135.db2.gz LYLSIIOGTMVFHO-UHFFFAOYSA-N -1 3 319.445 3.680 20 0 DHADHM CC[C@@H](NCc1ccc(C)cc1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299802 980430569 /nfs/dbraw/zinc/43/05/69/980430569.db2.gz GEMBNHJFNBHTQE-QGZVFWFLSA-N -1 3 313.397 3.943 20 0 DHADHM CC[C@@H](C)C[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000901675029 980437926 /nfs/dbraw/zinc/43/79/26/980437926.db2.gz QOYHKRJDFIEERM-ZWNOBZJWSA-N -1 3 324.471 3.851 20 0 DHADHM CC[C@H](C)C[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000901675026 980437929 /nfs/dbraw/zinc/43/79/29/980437929.db2.gz QOYHKRJDFIEERM-GWCFXTLKSA-N -1 3 324.471 3.851 20 0 DHADHM CCN(Cc1cccs1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000902072262 980720478 /nfs/dbraw/zinc/72/04/78/980720478.db2.gz CZMSIASZMRNHGW-ZDUSSCGKSA-N -1 3 319.426 3.622 20 0 DHADHM CC(C)Oc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902178332 980771365 /nfs/dbraw/zinc/77/13/65/980771365.db2.gz UFHRSYQSSJXLSS-GFCCVEGCSA-N -1 3 303.358 3.616 20 0 DHADHM Cc1ccc(SC[C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000902333061 980837346 /nfs/dbraw/zinc/83/73/46/980837346.db2.gz QGWOLFDWUXXLJJ-GFCCVEGCSA-N -1 3 305.399 3.557 20 0 DHADHM CC(C)(C)Oc1cccc(CNCc2cc(C(=O)[O-])cs2)c1 ZINC000902499781 980911749 /nfs/dbraw/zinc/91/17/49/980911749.db2.gz BTNFHPHNZJUJKY-UHFFFAOYSA-N -1 3 319.426 3.913 20 0 DHADHM CN(Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000902509584 980914906 /nfs/dbraw/zinc/91/49/06/980914906.db2.gz FKGHFAGNOHXTFS-UHFFFAOYSA-N -1 3 311.381 3.558 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902528192 980922795 /nfs/dbraw/zinc/92/27/95/980922795.db2.gz OGLJDNWSSNONEH-UWVGGRQHSA-N -1 3 312.207 3.520 20 0 DHADHM O=C([O-])c1cc(CN2CCC[C@@H]2CCC2CCCCC2)on1 ZINC000902530588 980923688 /nfs/dbraw/zinc/92/36/88/980923688.db2.gz MNQDYUPFCQYASS-CQSZACIVSA-N -1 3 306.406 3.698 20 0 DHADHM O=C([O-])c1cccc(CN2CCC3(CCCCO3)CC2)c1Cl ZINC000903620707 980996992 /nfs/dbraw/zinc/99/69/92/980996992.db2.gz DAVNUNSMFYZCSH-UHFFFAOYSA-N -1 3 323.820 3.573 20 0 DHADHM C[C@H](c1ccccc1F)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923942 981040558 /nfs/dbraw/zinc/04/05/58/981040558.db2.gz FAVWLQXPWRXHMI-MNOVXSKESA-N -1 3 320.389 3.531 20 0 DHADHM CC(C)Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000656567369 1014866096 /nfs/dbraw/zinc/86/60/96/1014866096.db2.gz OYGNRTIUSVPKSH-SFHVURJKSA-N -1 3 312.413 3.586 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(c2cccs2)CCCCC1 ZINC000341095327 1014907340 /nfs/dbraw/zinc/90/73/40/1014907340.db2.gz IDDWEMWQIZOQGI-UHFFFAOYSA-N -1 3 302.399 3.689 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1[O-] ZINC000665330524 1014926165 /nfs/dbraw/zinc/92/61/65/1014926165.db2.gz ZRUVTQGIOUMATP-UHFFFAOYSA-N -1 3 315.413 3.637 20 0 DHADHM CSCc1c2ccccc2oc1C(=O)Nc1ncccc1[O-] ZINC000022261884 1014978863 /nfs/dbraw/zinc/97/88/63/1014978863.db2.gz VBZGSKJVZSLLRQ-UHFFFAOYSA-N -1 3 314.366 3.649 20 0 DHADHM C[C@H]1CC[C@@](NCc2ncc(Cl)cc2Cl)(C(=O)[O-])CC1 ZINC001599908438 984953167 /nfs/dbraw/zinc/95/31/67/984953167.db2.gz ACOCACMLXIYREX-KMHCFJFGSA-N -1 3 317.216 3.512 20 0 DHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(c2ccco2)CC1 ZINC000656756548 1015129284 /nfs/dbraw/zinc/12/92/84/1015129284.db2.gz FWXMJLRCHWECTA-INIZCTEOSA-N -1 3 319.788 3.938 20 0 DHADHM CCSCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000160984910 1015156787 /nfs/dbraw/zinc/15/67/87/1015156787.db2.gz OILGWRCMJYIYOP-CQSZACIVSA-N -1 3 310.419 3.519 20 0 DHADHM CCSCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000160984910 1015156793 /nfs/dbraw/zinc/15/67/93/1015156793.db2.gz OILGWRCMJYIYOP-CQSZACIVSA-N -1 3 310.419 3.519 20 0 DHADHM O=C(/C=C\c1ccccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000255357428 1015188070 /nfs/dbraw/zinc/18/80/70/1015188070.db2.gz BZQCNTLKWVYBGV-VURMDHGXSA-N -1 3 305.736 3.514 20 0 DHADHM CC[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1 ZINC001597291413 987377454 /nfs/dbraw/zinc/37/74/54/987377454.db2.gz HJMWMXPBITYELP-RHSMWYFYSA-N -1 3 313.397 3.952 20 0 DHADHM CC[C@H](N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1F ZINC001597349502 987485821 /nfs/dbraw/zinc/48/58/21/987485821.db2.gz MBQCTCCIGPCVIZ-IRXDYDNUSA-N -1 3 317.360 3.701 20 0 DHADHM CCCc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)co1 ZINC000354001942 1015339637 /nfs/dbraw/zinc/33/96/37/1015339637.db2.gz LHBPVHUFWPHTQX-UHFFFAOYSA-N -1 3 314.263 3.604 20 0 DHADHM CCOc1cc(CN[C@H](C)c2cscn2)cc(Cl)c1[O-] ZINC000668501666 1015346506 /nfs/dbraw/zinc/34/65/06/1015346506.db2.gz IKWYVWGELUZYBH-SECBINFHSA-N -1 3 312.822 3.752 20 0 DHADHM CC(C)(C)C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1(C)C ZINC001589764295 988100120 /nfs/dbraw/zinc/10/01/20/988100120.db2.gz FOBQVLDFDWGKPL-NSHDSACASA-N -1 3 310.463 3.878 20 0 DHADHM CSCc1ccc(CNCc2cc(C(=O)[O-])cs2)cc1 ZINC001599802768 988204713 /nfs/dbraw/zinc/20/47/13/988204713.db2.gz RSGDAGYHOKFBLB-UHFFFAOYSA-N -1 3 307.440 3.599 20 0 DHADHM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2OC)cc1 ZINC001597563243 988312838 /nfs/dbraw/zinc/31/28/38/988312838.db2.gz CPCUVRJCHJZNSI-ZDUSSCGKSA-N -1 3 313.397 3.807 20 0 DHADHM CCc1ccccc1CN[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001597609542 988496542 /nfs/dbraw/zinc/49/65/42/988496542.db2.gz RCGRPUNXAUMDMQ-AWEZNQCLSA-N -1 3 313.397 3.563 20 0 DHADHM CSc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599823186 988550387 /nfs/dbraw/zinc/55/03/87/988550387.db2.gz CFVPMOXQUCALOG-LLVKDONJSA-N -1 3 318.442 3.604 20 0 DHADHM CC(C)(C)c1cnc(CN2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)s1 ZINC001590515771 990130805 /nfs/dbraw/zinc/13/08/05/990130805.db2.gz GEXAAFKHFBYEDJ-SJKOYZFVSA-N -1 3 322.474 3.517 20 0 DHADHM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1(F)CC1 ZINC000843584923 1015576698 /nfs/dbraw/zinc/57/66/98/1015576698.db2.gz GJPUWOXVOPSITJ-SECBINFHSA-N -1 3 313.653 3.701 20 0 DHADHM COc1ccc([C@H]([N-]c2nnc(C(F)F)o2)C2CCC2)cc1 ZINC000896423301 1015581863 /nfs/dbraw/zinc/58/18/63/1015581863.db2.gz QJHKRXGXXZUTRU-GFCCVEGCSA-N -1 3 309.316 3.969 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H](Cc3nccs3)C2)c1Cl ZINC000896529190 1015612173 /nfs/dbraw/zinc/61/21/73/1015612173.db2.gz YWZNMCUSZDVVQU-GFCCVEGCSA-N -1 3 322.861 3.957 20 0 DHADHM Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C/c2ccc([O-])cc2)c1 ZINC000041694018 1015622700 /nfs/dbraw/zinc/62/27/00/1015622700.db2.gz PFLVPHONMHYQHV-FOWTUZBSSA-N -1 3 320.392 3.659 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2csc(-c3ccoc3)n2)s1 ZINC000341760544 1015725734 /nfs/dbraw/zinc/72/57/34/1015725734.db2.gz DFSASUKRMLDCSC-UHFFFAOYSA-N -1 3 320.399 3.630 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1C ZINC001599620842 994079970 /nfs/dbraw/zinc/07/99/70/994079970.db2.gz UQTPGXFAHWWVQI-OLZOCXBDSA-N -1 3 314.385 3.509 20 0 DHADHM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)[C@@H]1Oc2ccccc2[C@H]1C ZINC001593195824 994150265 /nfs/dbraw/zinc/15/02/65/994150265.db2.gz FZGAUEJWYLUMDY-UZTWBRENSA-N -1 3 315.369 3.582 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000341897526 1015839374 /nfs/dbraw/zinc/83/93/74/1015839374.db2.gz CWGKDDZYQCUNSU-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252231 994505089 /nfs/dbraw/zinc/50/50/89/994505089.db2.gz QWYROQARVDENBF-OCCSQVGLSA-N -1 3 307.390 3.510 20 0 DHADHM C[C@H](NCCC1(c2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593262278 994553364 /nfs/dbraw/zinc/55/33/64/994553364.db2.gz RDLKCTSQPWMACN-LBPRGKRZSA-N -1 3 316.426 3.614 20 0 DHADHM COc1cccc([C@H](N[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599659929 994640755 /nfs/dbraw/zinc/64/07/55/994640755.db2.gz QDJPJHPWUTXWPC-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM C[C@@]12CCN(C(=O)c3cc([O-])c4ccccc4c3)C[C@@H]1C2(F)F ZINC000294157417 1015881471 /nfs/dbraw/zinc/88/14/71/1015881471.db2.gz VTIZUDXJLSYSOP-DOTOQJQBSA-N -1 3 317.335 3.663 20 0 DHADHM COc1cccc(C2(N[C@H](C)c3cc(C(=O)[O-])cs3)CC2)c1 ZINC001599667229 994750730 /nfs/dbraw/zinc/75/07/30/994750730.db2.gz WVTIZILMNPFJNF-LLVKDONJSA-N -1 3 317.410 3.795 20 0 DHADHM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC001599673801 994860954 /nfs/dbraw/zinc/86/09/54/994860954.db2.gz KHTRAACVPAQGOP-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(O)cc2)CC1 ZINC001593685675 996117813 /nfs/dbraw/zinc/11/78/13/996117813.db2.gz DIFFFQYFAUJJDF-LBPRGKRZSA-N -1 3 313.353 3.534 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(F)(c2ccccc2)CC1 ZINC001593685980 996120548 /nfs/dbraw/zinc/12/05/48/996120548.db2.gz LANWUNJCRVBIKQ-CYBMUJFWSA-N -1 3 317.360 4.000 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C2CCCC2)C1 ZINC001593732768 996314842 /nfs/dbraw/zinc/31/48/42/996314842.db2.gz YXGCCMNWMDGAOA-DGCLKSJQSA-N -1 3 308.447 3.805 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCC2(CCCC2)CC1 ZINC001593738295 996345214 /nfs/dbraw/zinc/34/52/14/996345214.db2.gz YXGQEOLTJHPTPY-GFCCVEGCSA-N -1 3 308.447 3.949 20 0 DHADHM Cc1ccc2c(c1)CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000349654619 1016088368 /nfs/dbraw/zinc/08/83/68/1016088368.db2.gz MPWRDOKTRJNUBL-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM COc1cc(C)cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599392807 997070235 /nfs/dbraw/zinc/07/02/35/997070235.db2.gz TVBRDKHAGNZQDU-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc([C@H](NCc2cc(C)cc(Cl)c2)C(=O)[O-])cc1 ZINC001599532091 997674115 /nfs/dbraw/zinc/67/41/15/997674115.db2.gz NCSUKZDDRUZIPB-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC001594411945 999538007 /nfs/dbraw/zinc/53/80/07/999538007.db2.gz CFHIUACBXFNUBN-FDYHWXHSSA-N -1 3 308.447 3.803 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H]2C(F)(F)F)c1Br ZINC001140547450 1016336548 /nfs/dbraw/zinc/33/65/48/1016336548.db2.gz GPFNJXNSWDGZLK-JTQLQIEISA-N -1 3 324.140 3.681 20 0 DHADHM O=C(NC1(C2CC2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622439443 1016410356 /nfs/dbraw/zinc/41/03/56/1016410356.db2.gz GWHNDUWXZXMPAS-UHFFFAOYSA-N -1 3 307.393 3.655 20 0 DHADHM CC1(C)C(CNC(=O)CCCc2ccc([O-])c(F)c2)C1(C)C ZINC000622575241 1016475181 /nfs/dbraw/zinc/47/51/81/1016475181.db2.gz KVVBFZFNOZBKBZ-UHFFFAOYSA-N -1 3 307.409 3.652 20 0 DHADHM CCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000172519813 1016685267 /nfs/dbraw/zinc/68/52/67/1016685267.db2.gz HYPFVPOQHNZGQP-INIZCTEOSA-N -1 3 316.376 3.872 20 0 DHADHM Cc1cc(OC(F)F)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000174876608 1016845397 /nfs/dbraw/zinc/84/53/97/1016845397.db2.gz DUWIWMRRYSLQPR-UHFFFAOYSA-N -1 3 317.288 3.755 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000176433864 1016965507 /nfs/dbraw/zinc/96/55/07/1016965507.db2.gz SOGIPESOXUJGHG-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC(C)[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C(F)(F)F ZINC001227586727 1017047568 /nfs/dbraw/zinc/04/75/68/1017047568.db2.gz ODGLNIIWJTUINK-VIFPVBQESA-N -1 3 303.202 3.772 20 0 DHADHM C[C@@H](Cc1ccco1)Oc1c([O-])cc(Br)cc1F ZINC001227588781 1017048839 /nfs/dbraw/zinc/04/88/39/1017048839.db2.gz VKFRUFRUIHASOE-QMMMGPOBSA-N -1 3 315.138 3.897 20 0 DHADHM CC[C@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362237612 1032281854 /nfs/dbraw/zinc/28/18/54/1032281854.db2.gz QCGRFCHAQRTMNN-APPDUMDISA-N -1 3 310.357 3.593 20 0 DHADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c([O-])c1 ZINC001147581666 1032324669 /nfs/dbraw/zinc/32/46/69/1032324669.db2.gz WMTFIFVWIBBAHO-GOEBONIOSA-N -1 3 315.800 3.894 20 0 DHADHM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001147900186 1032352468 /nfs/dbraw/zinc/35/24/68/1032352468.db2.gz FFBKDFYTMVDFGD-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM CC(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)ccc1[O-] ZINC001148663342 1032431197 /nfs/dbraw/zinc/43/11/97/1032431197.db2.gz YPCVTZWKIWOYQN-QGZVFWFLSA-N -1 3 315.413 3.780 20 0 DHADHM Cc1cc2cc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])oc2cc1C ZINC000424425781 1012018174 /nfs/dbraw/zinc/01/81/74/1012018174.db2.gz ZOSGAVKMJSALMQ-GTNSWQLSSA-N -1 3 301.386 3.735 20 0 DHADHM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000425118230 1012297554 /nfs/dbraw/zinc/29/75/54/1012297554.db2.gz LLCGDBMBZFCEKY-INIZCTEOSA-N -1 3 311.381 3.711 20 0 DHADHM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000874476849 1032644214 /nfs/dbraw/zinc/64/42/14/1032644214.db2.gz JQZQWPXXQMLEMD-MRXNPFEDSA-N -1 3 323.314 3.960 20 0 DHADHM CC(C)[C@@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(F)(F)F ZINC001225852799 1012757898 /nfs/dbraw/zinc/75/78/98/1012757898.db2.gz LFUJTBDOHXUWEJ-SSDOTTSWSA-N -1 3 320.258 3.750 20 0 DHADHM O=C(Nc1ccc2scnc2c1)c1cc([O-])ccc1Cl ZINC000339687278 1012759702 /nfs/dbraw/zinc/75/97/02/1012759702.db2.gz IPUKMBNXADKGMY-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM CCN(Cc1csc(C(C)C)n1)C1CCC(C(=O)[O-])CC1 ZINC000565432909 1032666974 /nfs/dbraw/zinc/66/69/74/1032666974.db2.gz XNMGKTJVLZLBRG-UHFFFAOYSA-N -1 3 310.463 3.732 20 0 DHADHM Cc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c(C(C)C)n1 ZINC000179464203 1013035558 /nfs/dbraw/zinc/03/55/58/1013035558.db2.gz WKRPVELNKPUIDN-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM CCCc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)s1 ZINC000628375210 1017149669 /nfs/dbraw/zinc/14/96/69/1017149669.db2.gz JLLZZUUGABSFPJ-UHFFFAOYSA-N -1 3 305.447 3.530 20 0 DHADHM [O-]c1c(F)cc(Nc2cccnc2Br)cc1F ZINC001213370475 1017195653 /nfs/dbraw/zinc/19/56/53/1017195653.db2.gz HCNGPZBVUPPLKA-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM O=c1nc([C@H]2CCCS2)[n-]c2sc(C(F)(F)F)cc21 ZINC000416418214 1017226467 /nfs/dbraw/zinc/22/64/67/1017226467.db2.gz ZOLIBVOKTQTCLR-ZCFIWIBFSA-N -1 3 306.334 3.984 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874641451 1032690119 /nfs/dbraw/zinc/69/01/19/1032690119.db2.gz FFDICRIQSYMPMI-JTQLQIEISA-N -1 3 324.302 3.605 20 0 DHADHM Cc1nc(-c2ccncc2)nc(NCc2ccc([O-])c(F)c2)c1C ZINC000078020215 1017501642 /nfs/dbraw/zinc/50/16/42/1017501642.db2.gz ODZBEVJQSSOHGB-UHFFFAOYSA-N -1 3 324.359 3.612 20 0 DHADHM C[C@H](CCCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000342833340 1017528662 /nfs/dbraw/zinc/52/86/62/1017528662.db2.gz YXRSGPWNHTULNI-CYBMUJFWSA-N -1 3 324.384 3.662 20 0 DHADHM CC(C)(C)OCc1cc(C/N=C/c2cc(Cl)ccc2[O-])no1 ZINC000185917285 1017544593 /nfs/dbraw/zinc/54/45/93/1017544593.db2.gz DSRCZSLDDWYTOV-QGMBQPNBSA-N -1 3 322.792 3.968 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2scnc2C(C)(C)C)n1 ZINC000874695920 1032708879 /nfs/dbraw/zinc/70/88/79/1032708879.db2.gz UVMZFSVLZHNWPS-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CS[C@@H](C)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000773317661 1032709471 /nfs/dbraw/zinc/70/94/71/1032709471.db2.gz HZKJFSGMHORFPW-JTQLQIEISA-N -1 3 321.364 3.785 20 0 DHADHM COc1ccccc1C1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000523340291 1017649716 /nfs/dbraw/zinc/64/97/16/1017649716.db2.gz AKPKWOQJRQEJSJ-UHFFFAOYSA-N -1 3 317.772 3.725 20 0 DHADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c(C)cccc1[O-] ZINC000624150954 1017704055 /nfs/dbraw/zinc/70/40/55/1017704055.db2.gz CHSIGIUREJAGGU-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2cccc(F)c2)C(C)(C)C)n1 ZINC000181059287 1017720843 /nfs/dbraw/zinc/72/08/43/1017720843.db2.gz LBUUOGDKRYXNJG-KRWDZBQOSA-N -1 3 317.408 3.761 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000674256208 1017903117 /nfs/dbraw/zinc/90/31/17/1017903117.db2.gz JTFRQDMSAZACIY-UHFFFAOYSA-N -1 3 314.744 3.987 20 0 DHADHM CC(C)[C@@H](C)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000079083253 1017923911 /nfs/dbraw/zinc/92/39/11/1017923911.db2.gz DBEWEKJCVUDPGK-SNVBAGLBSA-N -1 3 302.399 3.947 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000016149076 1017969613 /nfs/dbraw/zinc/96/96/13/1017969613.db2.gz GQFJMSBBHAFDFD-UHFFFAOYSA-N -1 3 315.438 3.983 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1ncsc1-c1ccccc1 ZINC000446017736 1018033876 /nfs/dbraw/zinc/03/38/76/1018033876.db2.gz FIWKDJIGXLNQGH-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM Cc1ccc(C(=O)Cc2nc(=O)c3c4ccccc4sc3[n-]2)o1 ZINC000446148051 1018067616 /nfs/dbraw/zinc/06/76/16/1018067616.db2.gz YFUKZVDFROBABK-UHFFFAOYSA-N -1 3 324.361 3.877 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)co1)c1scnc1C(F)F ZINC001128792025 1018112363 /nfs/dbraw/zinc/11/23/63/1018112363.db2.gz UPIGUXWABAQHOA-UHFFFAOYSA-N -1 3 321.308 3.988 20 0 DHADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1cn(C)c2ccccc12 ZINC000185783438 1018131190 /nfs/dbraw/zinc/13/11/90/1018131190.db2.gz ANIRAMZCHXQUTN-LLVKDONJSA-N -1 3 312.344 3.765 20 0 DHADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000339393214 1018194703 /nfs/dbraw/zinc/19/47/03/1018194703.db2.gz VSZCEBWBTZAUQU-ZDUSSCGKSA-N -1 3 306.365 3.774 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c1 ZINC000447058715 1018321707 /nfs/dbraw/zinc/32/17/07/1018321707.db2.gz IXRAJSTYEMMEND-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM [O-]c1cc(Cl)c(CN2CCC3(C2)CCOCC3)c(Cl)c1 ZINC001142115082 1018368036 /nfs/dbraw/zinc/36/80/36/1018368036.db2.gz WILAXWSBWFMWTE-UHFFFAOYSA-N -1 3 316.228 3.702 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3c(F)cccc3F)o2)S1 ZINC000874928862 1032763426 /nfs/dbraw/zinc/76/34/26/1032763426.db2.gz WYJSCGHSKSJFDA-WDZFZDKYSA-N -1 3 307.277 3.549 20 0 DHADHM CC(C)(C)Oc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1 ZINC001212558712 1018470708 /nfs/dbraw/zinc/47/07/08/1018470708.db2.gz BEMGZCADPQBSMD-UHFFFAOYSA-N -1 3 311.341 3.682 20 0 DHADHM CCc1ccc(C2=CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000447892283 1018494947 /nfs/dbraw/zinc/49/49/47/1018494947.db2.gz UWDIGMOAXSWTEP-OAHLLOKOSA-N -1 3 323.440 3.903 20 0 DHADHM COc1cccc2c1[C@H](C(=O)Nc1cc(Cl)ccc1[O-])CC2 ZINC000343292671 1018557945 /nfs/dbraw/zinc/55/79/45/1018557945.db2.gz GAZXTNZOOOVXQI-GFCCVEGCSA-N -1 3 317.772 3.723 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1 ZINC000092225915 1018594810 /nfs/dbraw/zinc/59/48/10/1018594810.db2.gz KBTDWARVYKEXHO-LBPRGKRZSA-N -1 3 303.427 3.719 20 0 DHADHM Cc1cc(Cl)ccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000317933547 1018751159 /nfs/dbraw/zinc/75/11/59/1018751159.db2.gz RSTOYMXSIGSGTG-KRWDZBQOSA-N -1 3 315.800 3.660 20 0 DHADHM O=C(Nc1cccc2[nH]cnc21)c1cc([O-])c2ccccc2c1 ZINC000354472950 1018800642 /nfs/dbraw/zinc/80/06/42/1018800642.db2.gz ZBSORAAWDZMUEO-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000708924786 1018843369 /nfs/dbraw/zinc/84/33/69/1018843369.db2.gz 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1018934007 /nfs/dbraw/zinc/93/40/07/1018934007.db2.gz HDMJJKFAYKSHCG-LBPRGKRZSA-N -1 3 318.442 3.861 20 0 DHADHM O=C([O-])c1occc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000584118579 1018959667 /nfs/dbraw/zinc/95/96/67/1018959667.db2.gz BNYRJTYLHLOEBU-NSHDSACASA-N -1 3 317.307 3.532 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000007052231 1019001482 /nfs/dbraw/zinc/00/14/82/1019001482.db2.gz XJMXHNDJRGPJTC-UHFFFAOYSA-N -1 3 315.438 3.983 20 0 DHADHM CCC(CC)N(CCOC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471793964 1019030380 /nfs/dbraw/zinc/03/03/80/1019030380.db2.gz QBSVWLHYAIFNFC-UHFFFAOYSA-N -1 3 315.413 3.823 20 0 DHADHM O=c1nc(-c2cscn2)[n-]c2sc3c(c21)CCCS3 ZINC000278713829 1019074409 /nfs/dbraw/zinc/07/44/09/1019074409.db2.gz KGFQIFPMLSBFFR-UHFFFAOYSA-N -1 3 307.425 3.559 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC)c(SC)c2)c1 ZINC001299166412 1019077330 /nfs/dbraw/zinc/07/73/30/1019077330.db2.gz OYOMMAWVJUHHPY-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM CCCCc1nc(NC(=O)C[C@H](C)CCC)c(C(=O)OCC)[n-]1 ZINC001127967065 1019101751 /nfs/dbraw/zinc/10/17/51/1019101751.db2.gz UKYBNNLOHXLBTR-GFCCVEGCSA-N -1 3 323.437 3.694 20 0 DHADHM O=C([N-]c1c(F)cccc1NC1CC1)c1ocnc1C(F)F ZINC000625960750 1019133921 /nfs/dbraw/zinc/13/39/21/1019133921.db2.gz CLIJVTHMKUTVNP-UHFFFAOYSA-N -1 3 311.263 3.578 20 0 DHADHM C[C@H](C1CC1)n1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000355947025 1019146852 /nfs/dbraw/zinc/14/68/52/1019146852.db2.gz UZVWUCHDORKQSR-GFCCVEGCSA-N -1 3 321.380 3.965 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2csc(C(C)(C)C)n2)n1 ZINC000477352104 1032816818 /nfs/dbraw/zinc/81/68/18/1032816818.db2.gz QDDLFQIGAYOUSG-UHFFFAOYSA-N -1 3 323.487 3.932 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c([O-])c1 ZINC000065665572 1019203309 /nfs/dbraw/zinc/20/33/09/1019203309.db2.gz HBDMNAHDRXAEOP-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c([O-])c1 ZINC000031418623 1019220030 /nfs/dbraw/zinc/22/00/30/1019220030.db2.gz WNSLSSIOPYKLMI-CQSZACIVSA-N -1 3 317.385 3.807 20 0 DHADHM C[C@@H](CCCC(C)(C)O)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001168698514 1019239926 /nfs/dbraw/zinc/23/99/26/1019239926.db2.gz WHLFGVIPENYIKS-QMMMGPOBSA-N -1 3 307.221 3.836 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCOC2CCCCCC2)n1 ZINC000477361252 1032821370 /nfs/dbraw/zinc/82/13/70/1032821370.db2.gz ZNPZJYSKSOAYRJ-UHFFFAOYSA-N -1 3 310.463 3.717 20 0 DHADHM C[C@H]1CCC[C@H](C)N1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163547467 1019307218 /nfs/dbraw/zinc/30/72/18/1019307218.db2.gz ZOTMJZXYQZAEQB-YUMQZZPRSA-N -1 3 307.797 3.731 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)c(Cl)c1 ZINC000073973386 1019313176 /nfs/dbraw/zinc/31/31/76/1019313176.db2.gz RBWDEVFYZNIEIE-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM O=S(=O)([N-]Cc1ccsc1)c1c(Cl)cccc1Cl ZINC000042996307 1019328505 /nfs/dbraw/zinc/32/85/05/1019328505.db2.gz XXDPMBCREXQSLF-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCC1 ZINC000091683899 1019476795 /nfs/dbraw/zinc/47/67/95/1019476795.db2.gz WVHCPEFLMBWHHC-UHFFFAOYSA-N -1 3 309.409 3.802 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C)c1[O-] ZINC000093902667 1019593464 /nfs/dbraw/zinc/59/34/64/1019593464.db2.gz IDAIYDKKSLXYPH-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)c([O-])c1 ZINC000682527599 1019644816 /nfs/dbraw/zinc/64/48/16/1019644816.db2.gz INVAOBSAFYRGSO-PWSUYJOCSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cc(C(F)(F)F)ccn2)n1 ZINC000657273976 1019675539 /nfs/dbraw/zinc/67/55/39/1019675539.db2.gz BVZPNKZOCGVBEO-QMMMGPOBSA-N -1 3 315.320 3.758 20 0 DHADHM O=C(N[C@H]1COc2ccc(F)cc21)c1cc([O-])c2ccccc2c1 ZINC000525930686 1019727945 /nfs/dbraw/zinc/72/79/45/1019727945.db2.gz HYNIZLCZCFDJIN-INIZCTEOSA-N -1 3 323.323 3.548 20 0 DHADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])c3ccccc3c1)CO2 ZINC000525926368 1019728721 /nfs/dbraw/zinc/72/87/21/1019728721.db2.gz DNDKYDIBWVBYRJ-KRWDZBQOSA-N -1 3 319.360 3.717 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H](C)S1 ZINC000525935347 1019728839 /nfs/dbraw/zinc/72/88/39/1019728839.db2.gz KVOMAUKOIHNAOG-VXGBXAGGSA-N -1 3 301.411 3.511 20 0 DHADHM COc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccc1C ZINC000525922143 1019728935 /nfs/dbraw/zinc/72/89/35/1019728935.db2.gz VGNPFQSUTCKGIU-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM O=C(NCc1cccc2cc[nH]c21)c1cc([O-])c2ccccc2c1 ZINC000525936480 1019729010 /nfs/dbraw/zinc/72/90/10/1019729010.db2.gz OLHALRQEWKQACV-UHFFFAOYSA-N -1 3 316.360 3.957 20 0 DHADHM CO[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000526854215 1019735645 /nfs/dbraw/zinc/73/56/45/1019735645.db2.gz YSEZNPMZFFDXQV-LJQANCHMSA-N -1 3 321.376 3.663 20 0 DHADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc2n[nH]cc21 ZINC000526921359 1019738674 /nfs/dbraw/zinc/73/86/74/1019738674.db2.gz DEJWGHZAWCJJFZ-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2c1cccc2F ZINC000526923616 1019740043 /nfs/dbraw/zinc/74/00/43/1019740043.db2.gz STNYDQULNXDKTK-UHFFFAOYSA-N -1 3 307.324 3.887 20 0 DHADHM O=C(N[C@@H]1CCc2c1cccc2O)c1cc([O-])c2ccccc2c1 ZINC000527164058 1019744682 /nfs/dbraw/zinc/74/46/82/1019744682.db2.gz LXWGKQDZQNZGEB-QGZVFWFLSA-N -1 3 319.360 3.668 20 0 DHADHM C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C ZINC000347588828 1019745788 /nfs/dbraw/zinc/74/57/88/1019745788.db2.gz XDOLQCIJMCZCFY-NWDGAFQWSA-N -1 3 311.385 3.560 20 0 DHADHM Cc1cc([C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)on1 ZINC000527447723 1019751815 /nfs/dbraw/zinc/75/18/15/1019751815.db2.gz SBJKFYGWQAKHRC-MRXNPFEDSA-N -1 3 322.364 3.819 20 0 DHADHM C[C@H](C1CC1)n1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280909435 1019752067 /nfs/dbraw/zinc/75/20/67/1019752067.db2.gz NKSJBBDUANLOBD-GFCCVEGCSA-N -1 3 321.380 3.965 20 0 DHADHM C[C@H]1CCSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281212161 1019768552 /nfs/dbraw/zinc/76/85/52/1019768552.db2.gz MZURCFGCPGUYJA-LBPRGKRZSA-N -1 3 301.411 3.513 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000281162180 1019769466 /nfs/dbraw/zinc/76/94/66/1019769466.db2.gz JBCIQWCJNJZQFK-GFCCVEGCSA-N -1 3 301.411 3.513 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000067831799 1019797179 /nfs/dbraw/zinc/79/71/79/1019797179.db2.gz VJYLOSQFULNJDU-UHFFFAOYSA-N -1 3 320.392 3.928 20 0 DHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ncccn1 ZINC000073422830 1019821797 /nfs/dbraw/zinc/82/17/97/1019821797.db2.gz PHDVBARFIDCMQL-UHFFFAOYSA-N -1 3 307.806 3.883 20 0 DHADHM CCCCCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000727848915 1019827703 /nfs/dbraw/zinc/82/77/03/1019827703.db2.gz ZTNSWGDJFKQQEF-LBPRGKRZSA-N -1 3 304.394 4.000 20 0 DHADHM Cc1nc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2[nH]1 ZINC000352149965 1019831845 /nfs/dbraw/zinc/83/18/45/1019831845.db2.gz VSOWSDPRZQPQSS-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2)o1 ZINC000263339238 1019851032 /nfs/dbraw/zinc/85/10/32/1019851032.db2.gz NDDCZFXHAWVLDH-ZIAGYGMSSA-N -1 3 315.369 3.757 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000109103178 1019888608 /nfs/dbraw/zinc/88/86/08/1019888608.db2.gz FZMRXPHXDNCQCF-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccccc2C)n1 ZINC000066352518 1019945471 /nfs/dbraw/zinc/94/54/71/1019945471.db2.gz HLRNCWZXBAVLPR-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM CC(C)COc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000730151268 1019955841 /nfs/dbraw/zinc/95/58/41/1019955841.db2.gz JDIGPNWVVWYMNZ-WOJGMQOQSA-N -1 3 321.376 3.532 20 0 DHADHM CCc1onc(C)c1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000922305783 1019982091 /nfs/dbraw/zinc/98/20/91/1019982091.db2.gz RLDZPVWDWJJODI-UHFFFAOYSA-N -1 3 303.145 3.537 20 0 DHADHM C[C@@H]1CCCC[C@@H]1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000070694310 1020057325 /nfs/dbraw/zinc/05/73/25/1020057325.db2.gz VWTILZPRZPMKFC-PWSUYJOCSA-N -1 3 318.442 3.569 20 0 DHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000264230315 1032881496 /nfs/dbraw/zinc/88/14/96/1032881496.db2.gz XVIJPCYTJKQDOB-OLZOCXBDSA-N -1 3 312.413 3.980 20 0 DHADHM COc1cc(O)cc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000352462304 1020268798 /nfs/dbraw/zinc/26/87/98/1020268798.db2.gz CASFHIKODWNNAN-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM Cc1ccccc1[C@@H](C)NCc1ncc(Br)cc1[O-] ZINC000892431758 1020294441 /nfs/dbraw/zinc/29/44/41/1020294441.db2.gz DAYUGYHMYMXIRF-LLVKDONJSA-N -1 3 321.218 3.709 20 0 DHADHM COc1ccccc1CC(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000732952403 1020302494 /nfs/dbraw/zinc/30/24/94/1020302494.db2.gz VOPDEOWQWUTNIN-UHFFFAOYSA-N -1 3 313.397 3.512 20 0 DHADHM CCCc1ccc(CCCC(=O)[N-]OCc2cccnc2)cc1 ZINC000843830689 1020367996 /nfs/dbraw/zinc/36/79/96/1020367996.db2.gz DZUPCEVPMKHTDV-UHFFFAOYSA-N -1 3 312.413 3.605 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)C(C)C)nc(=O)c2c1C ZINC000733580988 1020411423 /nfs/dbraw/zinc/41/14/23/1020411423.db2.gz XPFSXPQIVQQFIK-PSASIEDQSA-N -1 3 322.430 3.910 20 0 DHADHM Cc1ccc([C@H](C)CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000685751041 1020428224 /nfs/dbraw/zinc/42/82/24/1020428224.db2.gz MJSVVFIZDABQDM-GFCCVEGCSA-N -1 3 303.789 3.888 20 0 DHADHM O=c1[n-]c(-c2ccon2)nc2ccc(Oc3ccccc3)cc12 ZINC000673696878 1020454286 /nfs/dbraw/zinc/45/42/86/1020454286.db2.gz FESAFYKAYFADHM-UHFFFAOYSA-N -1 3 305.293 3.783 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000055687835 1020457319 /nfs/dbraw/zinc/45/73/19/1020457319.db2.gz QMLGDCAXFGPEOH-UHFFFAOYSA-N -1 3 323.389 3.724 20 0 DHADHM O=c1[n-]c(N[C@@H]2CCCc3cccnc32)c(Cl)cc1Cl ZINC001168649148 1020550884 /nfs/dbraw/zinc/55/08/84/1020550884.db2.gz DBEOZAVBKYYETC-LLVKDONJSA-N -1 3 310.184 3.979 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCC34CC4)nc2)n1 ZINC000624757863 1020555053 /nfs/dbraw/zinc/55/50/53/1020555053.db2.gz RWGUYJXERHIAKZ-CQSZACIVSA-N -1 3 324.428 3.799 20 0 DHADHM Cc1csc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000354001708 1020583230 /nfs/dbraw/zinc/58/32/30/1020583230.db2.gz JBRZICCNIQZJOI-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccn1Cc1ccccc1 ZINC000674014970 1020637046 /nfs/dbraw/zinc/63/70/46/1020637046.db2.gz AKIIYHNYTMAUSL-UHFFFAOYSA-N -1 3 310.328 3.633 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000674015535 1020638593 /nfs/dbraw/zinc/63/85/93/1020638593.db2.gz RRPJQCDZEFCZAJ-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC2CCC(OC(C)C)CC2)c1 ZINC000612849494 1020727713 /nfs/dbraw/zinc/72/77/13/1020727713.db2.gz TZJSZQRDTQRYCE-UHFFFAOYSA-N -1 3 323.458 3.580 20 0 DHADHM COC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC(F)(F)CC1 ZINC000613026688 1020779918 /nfs/dbraw/zinc/77/99/18/1020779918.db2.gz HVFNENMXJXWAPF-UHFFFAOYSA-N -1 3 319.735 3.579 20 0 DHADHM O=C([N-]C1(c2ccccc2F)CC1)C(F)(F)c1ccc(F)cc1 ZINC000736045564 1020792719 /nfs/dbraw/zinc/79/27/19/1020792719.db2.gz XQLODVXOAJHREF-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccnc1Cl ZINC000736062804 1020797107 /nfs/dbraw/zinc/79/71/07/1020797107.db2.gz VSJREHQUSLREHV-UHFFFAOYSA-N -1 3 324.833 3.661 20 0 DHADHM N#CC(=C([O-])C1=CCCC1)c1nc2ccccc2n1C(F)F ZINC000177849440 1020823291 /nfs/dbraw/zinc/82/32/91/1020823291.db2.gz MHFQXMNGWSZVJI-NSHDSACASA-N -1 3 301.296 3.718 20 0 DHADHM Cc1cc(Nc2cc(Cl)nc(=O)[n-]2)nn1C1CCCCC1 ZINC000858549824 1032940158 /nfs/dbraw/zinc/94/01/58/1032940158.db2.gz CKARHZUIHOXVRI-UHFFFAOYSA-N -1 3 307.785 3.589 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000613396229 1020930243 /nfs/dbraw/zinc/93/02/43/1020930243.db2.gz RAPNFVJJDQKNGG-SJCJKPOMSA-N -1 3 305.443 3.766 20 0 DHADHM Nc1cccc(C(=S)Nc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001212633008 1032949707 /nfs/dbraw/zinc/94/97/07/1032949707.db2.gz ALBPEORITMGSDE-UHFFFAOYSA-N -1 3 312.316 3.781 20 0 DHADHM CCCCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000742221115 1021098948 /nfs/dbraw/zinc/09/89/48/1021098948.db2.gz YVLZXNZNZZOJSA-VURMDHGXSA-N -1 3 300.358 3.540 20 0 DHADHM CCCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000742220780 1021098997 /nfs/dbraw/zinc/09/89/97/1021098997.db2.gz SHWUEKLAXSIYKM-CLFYSBASSA-N -1 3 314.385 3.930 20 0 DHADHM C[C@H]1CN(Cc2cc(Cl)c([O-])c(Cl)c2)CCC[C@]1(C)O ZINC001140835157 1021122743 /nfs/dbraw/zinc/12/27/43/1021122743.db2.gz OEGNJXPAGCVOBK-BONVTDFDSA-N -1 3 318.244 3.682 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)c([O-])c(Cl)c2)CCC[C@@]1(C)O ZINC001140835158 1021123395 /nfs/dbraw/zinc/12/33/95/1021123395.db2.gz OEGNJXPAGCVOBK-MEBBXXQBSA-N -1 3 318.244 3.682 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(-c2ccoc2)c1 ZINC000089831196 1021188593 /nfs/dbraw/zinc/18/85/93/1021188593.db2.gz MRBXUGUMCSGTAK-UHFFFAOYSA-N -1 3 311.312 3.721 20 0 DHADHM Cc1cccc(NC(=O)Nc2ncc([O-])cc2Br)c1 ZINC001202307620 1021196307 /nfs/dbraw/zinc/19/63/07/1021196307.db2.gz UZXHDFMKCRIMNA-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000128285274 1021211669 /nfs/dbraw/zinc/21/16/69/1021211669.db2.gz PVKOAWQQTMKZLG-LBPRGKRZSA-N -1 3 317.360 3.763 20 0 DHADHM CC(C)(C)c1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000901497271 1021258262 /nfs/dbraw/zinc/25/82/62/1021258262.db2.gz BHLJPINFAMSDLF-UHFFFAOYSA-N -1 3 310.463 3.708 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000829555030 1021275425 /nfs/dbraw/zinc/27/54/25/1021275425.db2.gz XAVWAWKBUZUQQM-CQSZACIVSA-N -1 3 313.422 3.571 20 0 DHADHM Nc1cc(Nc2cc(Br)cc(F)c2[O-])ccc1F ZINC001212345358 1021289035 /nfs/dbraw/zinc/28/90/35/1021289035.db2.gz MWDUGMCVUKDNIQ-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM Cc1ncc(C(F)(F)F)cc1Nc1ncc(Cl)cc1[O-] ZINC001213827059 1021298324 /nfs/dbraw/zinc/29/83/24/1021298324.db2.gz YIBDOEWUWKPZBT-UHFFFAOYSA-N -1 3 303.671 3.906 20 0 DHADHM Cc1nnc(-c2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2)o1 ZINC000743477154 1021307300 /nfs/dbraw/zinc/30/73/00/1021307300.db2.gz KDUURWUROCBXRV-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000128665436 1021315059 /nfs/dbraw/zinc/31/50/59/1021315059.db2.gz ZDJMHIGPXOSPNU-RKDXNWHRSA-N -1 3 307.271 3.552 20 0 DHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000128891564 1021370108 /nfs/dbraw/zinc/37/01/08/1021370108.db2.gz BOUFCWTVLUIVRH-ZDUSSCGKSA-N -1 3 323.751 3.981 20 0 DHADHM O=C(CCOc1ccccc1)[N-]OCc1ccc(C(F)F)cc1 ZINC000763425196 1021391824 /nfs/dbraw/zinc/39/18/24/1021391824.db2.gz FEYHRBLWIZFXCU-UHFFFAOYSA-N -1 3 321.323 3.641 20 0 DHADHM O=C(CCSc1ccccc1F)Nc1cccc([O-])c1F ZINC000129040780 1021410264 /nfs/dbraw/zinc/41/02/64/1021410264.db2.gz LXUNPWHZWRFPAX-UHFFFAOYSA-N -1 3 309.337 3.791 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1SCCc2ccccc21 ZINC000129165775 1021444660 /nfs/dbraw/zinc/44/46/60/1021444660.db2.gz RVPXQGYYCOWJNX-HNNXBMFYSA-N -1 3 303.358 3.500 20 0 DHADHM CCC/C(C)=C/C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744216429 1021472647 /nfs/dbraw/zinc/47/26/47/1021472647.db2.gz GZZKLOZTBFJENX-FMIVXFBMSA-N -1 3 312.369 3.809 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1ccccc1 ZINC000450624173 1021492858 /nfs/dbraw/zinc/49/28/58/1021492858.db2.gz OUXVEVGEHXFFQM-QGZVFWFLSA-N -1 3 313.372 3.828 20 0 DHADHM Cc1ccc(OCCC(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000129485203 1021493683 /nfs/dbraw/zinc/49/36/83/1021493683.db2.gz LDCZGZIUQJITCG-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM Cc1cncc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647517 1021500357 /nfs/dbraw/zinc/50/03/57/1021500357.db2.gz SXVILYMTLZKNGV-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM COc1cccc([C@@H](C)CC(=O)Nc2cccc([O-])c2F)c1 ZINC000129601483 1021519007 /nfs/dbraw/zinc/51/90/07/1021519007.db2.gz CCXDOIHWEIARBW-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM O=C(Nc1ccc2c(c1)C=CCCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC000618845159 1021535153 /nfs/dbraw/zinc/53/51/53/1021535153.db2.gz MNOHOYXYPVSYAN-UHFFFAOYSA-N -1 3 321.380 3.661 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337430172 1032989774 /nfs/dbraw/zinc/98/97/74/1032989774.db2.gz USOHMBHLSGOVRF-MLGOLLRUSA-N -1 3 303.381 3.678 20 0 DHADHM CC(C)COC[C@@H](NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000892782612 1021614583 /nfs/dbraw/zinc/61/45/83/1021614583.db2.gz RQARWDFSXYUJGK-OAHLLOKOSA-N -1 3 307.365 3.628 20 0 DHADHM COC(=O)Nc1ccc(C(=O)OCCCC2CCCC2)cc1[O-] ZINC000745652533 1021756472 /nfs/dbraw/zinc/75/64/72/1021756472.db2.gz KFFQGBIJLXECAF-UHFFFAOYSA-N -1 3 321.373 3.698 20 0 DHADHM C[C@]12CC3CC(C(=O)[N-]OCCC(F)(F)F)(C1)C[C@@](C)(C3)C2 ZINC000154979290 1021795063 /nfs/dbraw/zinc/79/50/63/1021795063.db2.gz HHWXYRQSEHVRHI-LCBVDAKKSA-N -1 3 319.367 3.983 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cnc2c(F)ccc(F)c2c1 ZINC000556692912 1021816767 /nfs/dbraw/zinc/81/67/67/1021816767.db2.gz MGBXZHZILYIUTQ-UHFFFAOYSA-N -1 3 318.254 3.610 20 0 DHADHM Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000746057425 1021841335 /nfs/dbraw/zinc/84/13/35/1021841335.db2.gz IYNOEURIMNOIAQ-LBPRGKRZSA-N -1 3 324.336 3.669 20 0 DHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152843984 1021845787 /nfs/dbraw/zinc/84/57/87/1021845787.db2.gz USMWBMOYXJPNRT-WFASDCNBSA-N -1 3 308.397 3.642 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(C2CC2)cs1 ZINC000746155737 1021876260 /nfs/dbraw/zinc/87/62/60/1021876260.db2.gz PMEATKSLNBIQRS-UHFFFAOYSA-N -1 3 317.292 3.588 20 0 DHADHM CCc1cccc(C(=O)N2CCCc3ccc(OC)cc32)c1[O-] ZINC000619937692 1021964426 /nfs/dbraw/zinc/96/44/26/1021964426.db2.gz QLPPZUDFTNDQRU-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](c2ccncc2)C1 ZINC000556954745 1021971035 /nfs/dbraw/zinc/97/10/35/1021971035.db2.gz LPAPCOSIPALLEV-MRXNPFEDSA-N -1 3 318.376 3.570 20 0 DHADHM CN(C(=O)c1cccc2n[n-]nc21)c1ccc(C(C)(C)C)cc1 ZINC000183461121 1022147903 /nfs/dbraw/zinc/14/79/03/1022147903.db2.gz MOGNIRMZPYRAIC-UHFFFAOYSA-N -1 3 308.385 3.532 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000920843778 1022182339 /nfs/dbraw/zinc/18/23/39/1022182339.db2.gz ITXYHNRQNRFAJK-IINYFYTJSA-N -1 3 323.314 3.950 20 0 DHADHM O=C([N-][C@@H]1CCc2c1cccc2F)C(F)(F)c1ccc(F)cc1 ZINC000920846077 1022184797 /nfs/dbraw/zinc/18/47/97/1022184797.db2.gz YHXJRMGRVMRQCL-OAHLLOKOSA-N -1 3 323.289 3.860 20 0 DHADHM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000852900651 1022186437 /nfs/dbraw/zinc/18/64/37/1022186437.db2.gz OLNMIJZDZKOCJM-MRXNPFEDSA-N -1 3 310.397 3.569 20 0 DHADHM O=C([N-]Cc1cccc(F)c1)C(F)(F)c1cccc(Cl)c1 ZINC000921003617 1022202320 /nfs/dbraw/zinc/20/23/20/1022202320.db2.gz IOEUMJPKJXKLMA-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1NC(C)(C)CC(C)(C)C ZINC001169052256 1022230571 /nfs/dbraw/zinc/23/05/71/1022230571.db2.gz HEQDBDGUKNFGME-UHFFFAOYSA-N -1 3 303.410 3.502 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1NC(C)(C)CC(C)(C)C ZINC001169052256 1022230579 /nfs/dbraw/zinc/23/05/79/1022230579.db2.gz HEQDBDGUKNFGME-UHFFFAOYSA-N -1 3 303.410 3.502 20 0 DHADHM O=C([N-][C@H](CC1CCC1)c1ccccc1)C(F)(F)C(F)F ZINC001127557114 1022280713 /nfs/dbraw/zinc/28/07/13/1022280713.db2.gz SYXYAGJTADZYJN-GFCCVEGCSA-N -1 3 303.299 3.935 20 0 DHADHM COC(=O)c1c(C)cc(Nc2ccc([O-])c(F)c2F)cc1C ZINC001213123060 1022283284 /nfs/dbraw/zinc/28/32/84/1022283284.db2.gz QRUDKALIIMSOAH-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM O=c1nc(CC(F)(F)F)[n-]c2sc3c(c21)CCCS3 ZINC000416410814 1022312560 /nfs/dbraw/zinc/31/25/60/1022312560.db2.gz HGCVQBVSUOEQMP-UHFFFAOYSA-N -1 3 306.334 3.540 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001169383136 1022387369 /nfs/dbraw/zinc/38/73/69/1022387369.db2.gz ZYPJZUXXEUHRJT-IAQYHMDHSA-N -1 3 321.384 3.536 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001169383136 1022387387 /nfs/dbraw/zinc/38/73/87/1022387387.db2.gz ZYPJZUXXEUHRJT-IAQYHMDHSA-N -1 3 321.384 3.536 20 0 DHADHM [O-]c1cc(Nc2cnc3c(C4CC4)cnn3c2)ccc1Cl ZINC001212590543 1022423163 /nfs/dbraw/zinc/42/31/63/1022423163.db2.gz QZOZEMWFSJMUAR-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@H](c1ccco1)c1ccccc1OC ZINC000854514883 1022487049 /nfs/dbraw/zinc/48/70/49/1022487049.db2.gz KZQFRAGDEFRYEY-AWEZNQCLSA-N -1 3 309.312 3.539 20 0 DHADHM [O-]c1cccnc1CNc1nnc(Cl)c2c1C1CCC2CC1 ZINC001169726647 1022507746 /nfs/dbraw/zinc/50/77/46/1022507746.db2.gz AOCOJBXJFOESMX-UHFFFAOYSA-N -1 3 316.792 3.598 20 0 DHADHM [O-]c1cccnc1CNc1cc(-c2ccc(Cl)cc2)ncn1 ZINC001169732161 1022526125 /nfs/dbraw/zinc/52/61/25/1022526125.db2.gz JKZHAGXBUOIDMQ-UHFFFAOYSA-N -1 3 312.760 3.510 20 0 DHADHM CCOC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(OC)c1 ZINC001212594338 1022527562 /nfs/dbraw/zinc/52/75/62/1022527562.db2.gz WUUDRAFSDPGSQR-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM CC1(C)C[C@]1(NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000621039281 1022527870 /nfs/dbraw/zinc/52/78/70/1022527870.db2.gz NZQXSNRNOXMYLY-IBGZPJMESA-N -1 3 313.372 3.515 20 0 DHADHM CC1(C)CNC(=O)c2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212594920 1022544461 /nfs/dbraw/zinc/54/44/61/1022544461.db2.gz DBOYNSCUAHCBNM-UHFFFAOYSA-N -1 3 316.788 3.810 20 0 DHADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(F)c1F ZINC001212595098 1022551456 /nfs/dbraw/zinc/55/14/56/1022551456.db2.gz HHLFBHAWCROMSD-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)[C@H]1Cc2cccc(Nc3ccc(Cl)c([O-])c3)c2C1 ZINC001212595516 1022561192 /nfs/dbraw/zinc/56/11/92/1022561192.db2.gz XNTBFKRMCUAFMH-NSHDSACASA-N -1 3 317.772 3.677 20 0 DHADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc3sccc3c([O-])c2)n[nH]1 ZINC000855002222 1022561522 /nfs/dbraw/zinc/56/15/22/1022561522.db2.gz QJWNTKSIHHYRAX-KCJUWKMLSA-N -1 3 313.382 3.706 20 0 DHADHM CSc1ccc(C)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417021971 1022563449 /nfs/dbraw/zinc/56/34/49/1022563449.db2.gz HBKHWNOXNOBTEC-UHFFFAOYSA-N -1 3 301.415 3.702 20 0 DHADHM O=c1cc(CNc2ccc(CC(F)(F)F)cc2)nc(C2CC2)[n-]1 ZINC000417034522 1022570090 /nfs/dbraw/zinc/57/00/90/1022570090.db2.gz QYCPGPMRHHZXQI-UHFFFAOYSA-N -1 3 323.318 3.777 20 0 DHADHM COC(=O)c1c(C)cc(Nc2c(F)cc([O-])cc2F)cc1C ZINC001213123773 1022585941 /nfs/dbraw/zinc/58/59/41/1022585941.db2.gz HTQYWACYFHZCGG-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000615988149 1022613757 /nfs/dbraw/zinc/61/37/57/1022613757.db2.gz DTSGUYVFEVBBEI-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM CSCC1(CCNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000855398213 1022629055 /nfs/dbraw/zinc/62/90/55/1022629055.db2.gz TXPVKGNUWYMPKS-UHFFFAOYSA-N -1 3 315.438 3.809 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](CCF)C1 ZINC000855830311 1022706956 /nfs/dbraw/zinc/70/69/56/1022706956.db2.gz ZXJZSHUSHPAEAD-ZDUSSCGKSA-N -1 3 301.361 3.757 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000113711657 1022709513 /nfs/dbraw/zinc/70/95/13/1022709513.db2.gz WKBHPUZXUMPMGN-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1O ZINC000184241621 1022791396 /nfs/dbraw/zinc/79/13/96/1022791396.db2.gz CHLUWNKDTLOHJU-CMDGGOBGSA-N -1 3 323.801 3.767 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000584850699 1022809246 /nfs/dbraw/zinc/80/92/46/1022809246.db2.gz LPJIBRMPRGXHIX-LJQANCHMSA-N -1 3 313.372 3.666 20 0 DHADHM CCC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621695844 1022816660 /nfs/dbraw/zinc/81/66/60/1022816660.db2.gz ANXGQNXKRVIWIO-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM CC(C)c1ccc(/C=C/CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000162477225 1022848489 /nfs/dbraw/zinc/84/84/89/1022848489.db2.gz IUJFTLQAKRJWTL-QWNKOJSDSA-N -1 3 303.402 3.788 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000132981251 1033086065 /nfs/dbraw/zinc/08/60/65/1033086065.db2.gz TZHOSBHICNVFPV-WDEREUQCSA-N -1 3 319.298 3.516 20 0 DHADHM CC(C)CCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053442312 1022917870 /nfs/dbraw/zinc/91/78/70/1022917870.db2.gz UIWCNEAUDYFZGY-UHFFFAOYSA-N -1 3 314.429 3.864 20 0 DHADHM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000857484397 1023020446 /nfs/dbraw/zinc/02/04/46/1023020446.db2.gz FRVJBPVXPPPQCZ-INIZCTEOSA-N -1 3 313.372 3.884 20 0 DHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)cc1 ZINC000011808727 1023038206 /nfs/dbraw/zinc/03/82/06/1023038206.db2.gz QEQRWGQZEOMENV-UHFFFAOYSA-N -1 3 316.115 3.500 20 0 DHADHM C[C@@H]1c2cccn2CCN1Cc1ccc(Br)c([O-])c1 ZINC001236698472 1023067825 /nfs/dbraw/zinc/06/78/25/1023067825.db2.gz LUMJUNPZHFHSDB-LLVKDONJSA-N -1 3 321.218 3.533 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(c3ccccc3)C2)c1 ZINC000622213031 1023075612 /nfs/dbraw/zinc/07/56/12/1023075612.db2.gz PCJBTHOXLCEJDV-UHFFFAOYSA-N -1 3 313.422 3.528 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089719031 1023099619 /nfs/dbraw/zinc/09/96/19/1023099619.db2.gz NLJHHKCPZVBBON-NSHDSACASA-N -1 3 320.439 3.969 20 0 DHADHM CCCN(CC1CCCCC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622323313 1023108851 /nfs/dbraw/zinc/10/88/51/1023108851.db2.gz AMFGPHKXQPLRLY-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000622382712 1023134808 /nfs/dbraw/zinc/13/48/08/1023134808.db2.gz BUVPXBWFHKTAHU-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM CCc1cccc(C(=O)N(CCc2ccccc2)C2CC2)c1[O-] ZINC000769735250 1023205905 /nfs/dbraw/zinc/20/59/05/1023205905.db2.gz IDAFVFIKUVTVOF-UHFFFAOYSA-N -1 3 309.409 3.802 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2ncc(Cl)cc2Cl)on1 ZINC000636573848 1023291957 /nfs/dbraw/zinc/29/19/57/1023291957.db2.gz JYIDQKGBAYKFCA-UHFFFAOYSA-N -1 3 300.145 3.752 20 0 DHADHM O=C(OCC1CCC(C(F)(F)F)CC1)c1ccc([O-])cc1 ZINC000770314730 1023296157 /nfs/dbraw/zinc/29/61/57/1023296157.db2.gz XWOJMWQFJLMHPY-UHFFFAOYSA-N -1 3 302.292 3.918 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000007403681 1023418263 /nfs/dbraw/zinc/41/82/63/1023418263.db2.gz YZAXKXKOWVSEJM-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2ccccc2F)C(C)C)n1 ZINC000661484064 1023615299 /nfs/dbraw/zinc/61/52/99/1023615299.db2.gz JNQHXMLPRRABLP-WBMJQRKESA-N -1 3 303.381 3.678 20 0 DHADHM CCCCc1nc(COC(=O)c2cc3occc3[n-]2)cs1 ZINC000786031776 1023653046 /nfs/dbraw/zinc/65/30/46/1023653046.db2.gz QFRCFHIWRGWQRA-UHFFFAOYSA-N -1 3 304.371 3.917 20 0 DHADHM O=C(OCc1cn2ccccc2n1)c1cc2sccc2c([O-])c1 ZINC000786133028 1023665796 /nfs/dbraw/zinc/66/57/96/1023665796.db2.gz ZQHLARULEPIKDV-UHFFFAOYSA-N -1 3 324.361 3.612 20 0 DHADHM O=C(OCc1cnoc1C1CC1)c1cc2sccc2c([O-])c1 ZINC000786138019 1023666638 /nfs/dbraw/zinc/66/66/38/1023666638.db2.gz QTMOGLXDISVLBT-UHFFFAOYSA-N -1 3 315.350 3.829 20 0 DHADHM O=C(OCc1nccn1C(F)F)c1cc2sccc2c([O-])c1 ZINC000786137990 1023666980 /nfs/dbraw/zinc/66/69/80/1023666980.db2.gz QLBQNLXAISJBCR-UHFFFAOYSA-N -1 3 324.308 3.556 20 0 DHADHM C[C@@H](COC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000787848571 1023826180 /nfs/dbraw/zinc/82/61/80/1023826180.db2.gz QAVMLVINHFOADJ-VIFPVBQESA-N -1 3 308.271 3.596 20 0 DHADHM O=C(NCc1ccc(F)cc1)c1cc2sccc2c([O-])c1 ZINC000788261706 1023867515 /nfs/dbraw/zinc/86/75/15/1023867515.db2.gz POGRRAIIAPDRGP-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000788303390 1023868519 /nfs/dbraw/zinc/86/85/19/1023868519.db2.gz DGSLGIGZNNGZDQ-RYUDHWBXSA-N -1 3 301.411 3.869 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000538748343 1033168045 /nfs/dbraw/zinc/16/80/45/1033168045.db2.gz DDJGSEVOVOOVSI-QGZVFWFLSA-N -1 3 311.381 3.550 20 0 DHADHM COc1cc(C=NNc2ccccc2)cc(Br)c1[O-] ZINC000254870636 1024021431 /nfs/dbraw/zinc/02/14/31/1024021431.db2.gz ZUHSGDFHVUZADS-UHFFFAOYSA-N -1 3 321.174 3.609 20 0 DHADHM O=C(OCCCC1CCOCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000789542818 1024111550 /nfs/dbraw/zinc/11/15/50/1024111550.db2.gz DTPTYRKPYIAKGB-UHFFFAOYSA-N -1 3 306.189 3.685 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)nc2)CC)n1 ZINC000789829817 1024172995 /nfs/dbraw/zinc/17/29/95/1024172995.db2.gz VXHXATHCOKYJGC-WQLSENKSSA-N -1 3 303.793 3.721 20 0 DHADHM CC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(CC)CC ZINC000538830720 1033198185 /nfs/dbraw/zinc/19/81/85/1033198185.db2.gz MYSACHMQFURQQX-GFCCVEGCSA-N -1 3 319.232 3.758 20 0 DHADHM O=C(CCC(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000269579999 1024291645 /nfs/dbraw/zinc/29/16/45/1024291645.db2.gz XYJWXYDQJWZGOQ-UHFFFAOYSA-N -1 3 315.213 3.596 20 0 DHADHM COc1ccc(Cl)c(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000790559627 1024323464 /nfs/dbraw/zinc/32/34/64/1024323464.db2.gz OZVCSBMQUHYNAI-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM CC(C)(C)C1=CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000270516351 1024400769 /nfs/dbraw/zinc/40/07/69/1024400769.db2.gz ZNWWTBJXSKXAPF-UHFFFAOYSA-N -1 3 310.397 3.759 20 0 DHADHM CC[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000790950717 1024401861 /nfs/dbraw/zinc/40/18/61/1024401861.db2.gz SJNANWYPWSGABX-VIFPVBQESA-N -1 3 318.186 3.572 20 0 DHADHM O=C([N-]CCCCc1ccc(Cl)s1)C(F)(F)C(F)F ZINC000791113332 1024443732 /nfs/dbraw/zinc/44/37/32/1024443732.db2.gz DPRGMVBHXRAGLQ-UHFFFAOYSA-N -1 3 317.735 3.741 20 0 DHADHM O=C(NCc1cc(F)ccc1F)c1cc2sccc2c([O-])c1 ZINC000791351519 1024481659 /nfs/dbraw/zinc/48/16/59/1024481659.db2.gz GFSDOZPGKHGNRF-UHFFFAOYSA-N -1 3 319.332 3.815 20 0 DHADHM COCCCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000791911480 1024601080 /nfs/dbraw/zinc/60/10/80/1024601080.db2.gz WUEVBHHMGSYQEJ-LBPRGKRZSA-N -1 3 321.314 3.561 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000348793069 1024615898 /nfs/dbraw/zinc/61/58/98/1024615898.db2.gz FCENHWHNMLZYSN-ZJUUUORDSA-N -1 3 323.179 3.836 20 0 DHADHM CS[C@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792198355 1024647966 /nfs/dbraw/zinc/64/79/66/1024647966.db2.gz LZSZTCCZDSEBIK-KGLIPLIRSA-N -1 3 301.411 3.559 20 0 DHADHM CN(OCc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792275063 1024659939 /nfs/dbraw/zinc/65/99/39/1024659939.db2.gz YVEBLCUGNSJBNN-UHFFFAOYSA-N -1 3 307.349 3.749 20 0 DHADHM Cc1cc(Cl)ccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000317933548 1024671178 /nfs/dbraw/zinc/67/11/78/1024671178.db2.gz RSTOYMXSIGSGTG-QGZVFWFLSA-N -1 3 315.800 3.660 20 0 DHADHM O=C([O-])[C@H]1CCCCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000317934652 1024671509 /nfs/dbraw/zinc/67/15/09/1024671509.db2.gz NTVNQQVLSWMMOG-CYBMUJFWSA-N -1 3 319.298 3.674 20 0 DHADHM COCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792483974 1024673070 /nfs/dbraw/zinc/67/30/70/1024673070.db2.gz GITARJAJXNUNMC-UHFFFAOYSA-N -1 3 307.349 3.944 20 0 DHADHM O=S(=O)([N-]CCC1=CCCCC1)c1cccc(Cl)c1F ZINC000032402324 1024722512 /nfs/dbraw/zinc/72/25/12/1024722512.db2.gz NIMUMUGEUZMNNV-UHFFFAOYSA-N -1 3 317.813 3.648 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000349965098 1024775824 /nfs/dbraw/zinc/77/58/24/1024775824.db2.gz NOIGBCLTLVTOFG-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM Clc1cccc(-c2noc([N-]Cc3cc(C4CC4)no3)n2)c1 ZINC000884637984 1025199017 /nfs/dbraw/zinc/19/90/17/1025199017.db2.gz HYAPHLOEPYBGPJ-UHFFFAOYSA-N -1 3 316.748 3.868 20 0 DHADHM CCCCC[C@](C)(CC)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000793963565 1025198906 /nfs/dbraw/zinc/19/89/06/1025198906.db2.gz MFNPITMOHTUHHH-INIZCTEOSA-N -1 3 309.410 3.522 20 0 DHADHM CCCCC[C@](C)(CC)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000793963565 1025198910 /nfs/dbraw/zinc/19/89/10/1025198910.db2.gz MFNPITMOHTUHHH-INIZCTEOSA-N -1 3 309.410 3.522 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CC4(CC4)C3)c2)n1 ZINC000666587867 1025221281 /nfs/dbraw/zinc/22/12/81/1025221281.db2.gz QDRFQEDFDHZDRD-UHFFFAOYSA-N -1 3 323.396 3.540 20 0 DHADHM CCc1ccc(-c2nc(Cc3c(F)cccc3F)no2)c([O-])c1 ZINC000436845460 1025224942 /nfs/dbraw/zinc/22/49/42/1025224942.db2.gz SNRGTMXVPMOOKJ-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM CSCCO[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000794191995 1025235303 /nfs/dbraw/zinc/23/53/03/1025235303.db2.gz ZPEVMFLRLVJMMF-UHFFFAOYSA-N -1 3 315.394 3.539 20 0 DHADHM COC(=O)c1cc(Cl)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001213331990 1025359518 /nfs/dbraw/zinc/35/95/18/1025359518.db2.gz WMRMUUMGJRSARX-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cccc(O[C@H]2COCc3ccccc32)c1Br ZINC001229141175 1025417185 /nfs/dbraw/zinc/41/71/85/1025417185.db2.gz JENNJJNBIGEINK-AWEZNQCLSA-N -1 3 321.170 3.805 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2scnc2C(C)C)c(F)c1 ZINC000410619701 1025465992 /nfs/dbraw/zinc/46/59/92/1025465992.db2.gz CHKGISNGLWXKRS-UHFFFAOYSA-N -1 3 324.352 4.000 20 0 DHADHM COc1ccc(C)cc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000536236173 1025470527 /nfs/dbraw/zinc/47/05/27/1025470527.db2.gz ZYPASCQJFBSGNT-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000354964157 1025560072 /nfs/dbraw/zinc/56/00/72/1025560072.db2.gz XVDXPKJNQNXLGA-JQWIXIFHSA-N -1 3 313.850 3.792 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000130924825 1025673845 /nfs/dbraw/zinc/67/38/45/1025673845.db2.gz GUNBSGNXZOWFKT-FQEVSTJZSA-N -1 3 319.408 3.712 20 0 DHADHM Cn1nc(C2CCCC2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000355579763 1025771761 /nfs/dbraw/zinc/77/17/61/1025771761.db2.gz RXZGYYNUIMILKY-UHFFFAOYSA-N -1 3 319.792 3.689 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000060776591 1025928141 /nfs/dbraw/zinc/92/81/41/1025928141.db2.gz FUYPRGFNUNJDLF-UHFFFAOYSA-N -1 3 311.357 3.972 20 0 DHADHM CC(C)S(=O)(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001244033029 1026038252 /nfs/dbraw/zinc/03/82/52/1026038252.db2.gz JLHIGNYEHXWJDV-UHFFFAOYSA-N -1 3 310.802 3.895 20 0 DHADHM [O-]c1cccc(Cl)c1-c1cc(C(F)(F)F)cn2ncnc12 ZINC001244050397 1026060442 /nfs/dbraw/zinc/06/04/42/1026060442.db2.gz LVTBVWGIOZBIMC-UHFFFAOYSA-N -1 3 313.666 3.774 20 0 DHADHM CCc1cccc(C(=O)N2Cc3cccc(Cl)c3C2)c1[O-] ZINC000807816113 1026121515 /nfs/dbraw/zinc/12/15/15/1026121515.db2.gz ZLPQGPXJJGJORJ-UHFFFAOYSA-N -1 3 301.773 3.764 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412666413 1026210195 /nfs/dbraw/zinc/21/01/95/1026210195.db2.gz GCCLBGUFDFLSJU-KRWDZBQOSA-N -1 3 307.393 3.802 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCCc3sccc32)cc1[O-] ZINC000614372089 1026265508 /nfs/dbraw/zinc/26/55/08/1026265508.db2.gz GKURZGNIDWHZSN-UHFFFAOYSA-N -1 3 315.394 3.639 20 0 DHADHM CCCc1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000419392641 1026453439 /nfs/dbraw/zinc/45/34/39/1026453439.db2.gz YVMBPZSQZVCNFD-UHFFFAOYSA-N -1 3 321.471 3.902 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000043389497 1026464155 /nfs/dbraw/zinc/46/41/55/1026464155.db2.gz BMTQAPUBTIAGTD-GFCCVEGCSA-N -1 3 313.781 3.846 20 0 DHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000809339011 1026515117 /nfs/dbraw/zinc/51/51/17/1026515117.db2.gz QBEYUDJFYPPHBV-MEBBXXQBSA-N -1 3 321.298 3.556 20 0 DHADHM Cc1ccc(OC[C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000810245120 1026727482 /nfs/dbraw/zinc/72/74/82/1026727482.db2.gz RUWCKFMCPZYMOP-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM O=C(NCc1ccnc2ccccc12)c1cc([O-])ccc1Cl ZINC000810477275 1026769125 /nfs/dbraw/zinc/76/91/25/1026769125.db2.gz LEMPSUVQQKDBCY-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM Nc1ccc(F)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001211840451 1026860039 /nfs/dbraw/zinc/86/00/39/1026860039.db2.gz YRRFIEXXGGETFX-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM CC(C)(O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000811399846 1026993666 /nfs/dbraw/zinc/99/36/66/1026993666.db2.gz QZIDPTHMTIVBEZ-UHFFFAOYSA-N -1 3 305.761 3.525 20 0 DHADHM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1cc([O-])ccc1Cl ZINC000811495129 1027011991 /nfs/dbraw/zinc/01/19/91/1027011991.db2.gz DXSQQOGTMXGWAM-GFCCVEGCSA-N -1 3 322.191 3.596 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000561950421 1027139809 /nfs/dbraw/zinc/13/98/09/1027139809.db2.gz CYHXUQSLKBDIQE-MRXNPFEDSA-N -1 3 304.340 3.793 20 0 DHADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(F)c(F)c1 ZINC000561962517 1027147986 /nfs/dbraw/zinc/14/79/86/1027147986.db2.gz BKEICGONXXVXBO-UHFFFAOYSA-N -1 3 317.335 3.826 20 0 DHADHM Cc1nc(CCC(=O)[N-]OC2CCCC2)oc1-c1ccccc1 ZINC000271836121 1027159065 /nfs/dbraw/zinc/15/90/65/1027159065.db2.gz XSXFMRTWWZJJQF-UHFFFAOYSA-N -1 3 314.385 3.573 20 0 DHADHM O=C(Cc1coc2ccc3ccccc3c12)[N-]OC/C=C\Cl ZINC000812403993 1027262861 /nfs/dbraw/zinc/26/28/61/1027262861.db2.gz VQEHBUDWEACADK-BAQGIRSFSA-N -1 3 315.756 3.929 20 0 DHADHM COCC1(COC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC000812594572 1027336654 /nfs/dbraw/zinc/33/66/54/1027336654.db2.gz MIQMMEOFPVTGAX-UHFFFAOYSA-N -1 3 306.383 3.580 20 0 DHADHM CCc1cccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1[O-] ZINC000574109429 1027361794 /nfs/dbraw/zinc/36/17/94/1027361794.db2.gz IITZRXNHXANMNZ-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000295652152 1027377148 /nfs/dbraw/zinc/37/71/48/1027377148.db2.gz GLROORJMRPSCBE-KBPBESRZSA-N -1 3 312.413 3.887 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3c([O-])cccc3Cl)n[nH]2)o1 ZINC000574488783 1027399747 /nfs/dbraw/zinc/39/97/47/1027399747.db2.gz HMVBZVABIIZWOV-UHFFFAOYSA-N -1 3 317.732 3.589 20 0 DHADHM CC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000575322695 1027470727 /nfs/dbraw/zinc/47/07/27/1027470727.db2.gz RHPKTZALOGYYTQ-CYBMUJFWSA-N -1 3 302.201 3.851 20 0 DHADHM Oc1[n-]c(SCc2ccc(C3CCC3)cc2)nc2nncc1-2 ZINC000562585560 1027514808 /nfs/dbraw/zinc/51/48/08/1027514808.db2.gz VXBJZWRWHBGRPD-UHFFFAOYSA-N -1 3 312.398 3.618 20 0 DHADHM CC[C@@H](SC)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000296262869 1027590481 /nfs/dbraw/zinc/59/04/81/1027590481.db2.gz YEPHKVSXWZWZOF-SNVBAGLBSA-N -1 3 318.236 3.543 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448664748 1027960523 /nfs/dbraw/zinc/96/05/23/1027960523.db2.gz KKOPDVXRYPUAMS-UHFFFAOYSA-N -1 3 319.351 3.652 20 0 DHADHM O=c1cc(CSC[C@@H]2CCC(F)(F)C2)nc(C2CC2)[n-]1 ZINC000601056077 1027961402 /nfs/dbraw/zinc/96/14/02/1027961402.db2.gz HLEGRLGPEAKOMO-SECBINFHSA-N -1 3 300.374 3.728 20 0 DHADHM Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448667222 1027962758 /nfs/dbraw/zinc/96/27/58/1027962758.db2.gz QNCSDHRBCVNLDH-CYBMUJFWSA-N -1 3 301.361 3.602 20 0 DHADHM CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000563330244 1028002066 /nfs/dbraw/zinc/00/20/66/1028002066.db2.gz ZOFPFEFSEGQMCX-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM CC(C)(C)OC(=O)c1nc(F)ccc1-c1ccc([O-])cc1F ZINC001206080518 1028091875 /nfs/dbraw/zinc/09/18/75/1028091875.db2.gz NAFKFHKTFJFHQI-UHFFFAOYSA-N -1 3 307.296 3.688 20 0 DHADHM CC(C)CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448823108 1028104077 /nfs/dbraw/zinc/10/40/77/1028104077.db2.gz LFRASYSQWDOUDR-UHFFFAOYSA-N -1 3 301.361 3.763 20 0 DHADHM COc1cccc(C[C@@H](C)CC(=O)Nc2cccc([O-])c2F)c1 ZINC000935138909 1028206746 /nfs/dbraw/zinc/20/67/46/1028206746.db2.gz YLHPRYSJJVUHRE-GFCCVEGCSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1oc([C@H](C)N2CC[C@H](Oc3ccccc3)C2)cc1C(=O)[O-] ZINC000578900244 1028267980 /nfs/dbraw/zinc/26/79/80/1028267980.db2.gz PEDVOCZGCCZIGT-WFASDCNBSA-N -1 3 315.369 3.501 20 0 DHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000578926174 1028277154 /nfs/dbraw/zinc/27/71/54/1028277154.db2.gz YHTVOUKUZXDKMD-RYUDHWBXSA-N -1 3 303.789 3.968 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000579086594 1028319253 /nfs/dbraw/zinc/31/92/53/1028319253.db2.gz ARFIRGBDACNHEX-AWEZNQCLSA-N -1 3 315.369 3.759 20 0 DHADHM Cc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)c([O-])c1 ZINC000579233438 1028356320 /nfs/dbraw/zinc/35/63/20/1028356320.db2.gz KAGVBWFNQFQEIN-UHFFFAOYSA-N -1 3 307.802 3.614 20 0 DHADHM Cc1nc2c(s1)[C@H](NCc1cccc([O-])c1Cl)CCC2 ZINC000815135053 1028392196 /nfs/dbraw/zinc/39/21/96/1028392196.db2.gz ONZOMLSEQDQDTH-LLVKDONJSA-N -1 3 308.834 3.978 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2CCCc3c(F)cccc32)c1F ZINC000449346875 1028561003 /nfs/dbraw/zinc/56/10/03/1028561003.db2.gz ARGCJDMJBXDGSV-OAHLLOKOSA-N -1 3 307.315 3.977 20 0 DHADHM O=C(CCc1cc(F)ccc1F)Nc1c([O-])cccc1Cl ZINC000565910267 1028649901 /nfs/dbraw/zinc/64/99/01/1028649901.db2.gz ZAJZNIPKBVGTMX-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM C[C@H](NCc1ncccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000565977029 1028662310 /nfs/dbraw/zinc/66/23/10/1028662310.db2.gz SNCQTRIKJFOJQE-LBPRGKRZSA-N -1 3 311.410 3.762 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2csc3ccccc23)c2ccccc21 ZINC000778516803 1028673809 /nfs/dbraw/zinc/67/38/09/1028673809.db2.gz HQPOLICJANMTQS-NTEUORMPSA-N -1 3 320.373 3.624 20 0 DHADHM Cc1onc(-c2ccc(F)cc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000041481015 1028734253 /nfs/dbraw/zinc/73/42/53/1028734253.db2.gz LKBXRLQIACMVLJ-CQSZACIVSA-N -1 3 321.311 3.674 20 0 DHADHM CCCC[C@@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000627416042 1028763682 /nfs/dbraw/zinc/76/36/82/1028763682.db2.gz JRNZFYBLBKFZKQ-SNVBAGLBSA-N -1 3 314.223 3.805 20 0 DHADHM CC(C)C(=C([O-])c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000566678109 1028763795 /nfs/dbraw/zinc/76/37/95/1028763795.db2.gz QNJRKFXFUBLCDS-GOSISDBHSA-N -1 3 316.422 3.509 20 0 DHADHM Cc1cccc(Oc2ccccc2NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001135527145 1028818215 /nfs/dbraw/zinc/81/82/15/1028818215.db2.gz STXDFYYNUJQVKL-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(OCC(F)F)cc2)c1F ZINC000816524082 1028933652 /nfs/dbraw/zinc/93/36/52/1028933652.db2.gz PSTGKINNRRRYMZ-UHFFFAOYSA-N -1 3 315.266 3.926 20 0 DHADHM CC(C)CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001135647139 1028962382 /nfs/dbraw/zinc/96/23/82/1028962382.db2.gz UANBQJBVXAJJHA-UHFFFAOYSA-N -1 3 311.425 3.953 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)c1[O-] ZINC000567956763 1028982914 /nfs/dbraw/zinc/98/29/14/1028982914.db2.gz XXBFCYGUCPFJPV-KXBFYZLASA-N -1 3 309.365 3.511 20 0 DHADHM Cc1nc(CCC(=O)[N-]Oc2ccccc2)oc1-c1ccccc1 ZINC000816684703 1028987112 /nfs/dbraw/zinc/98/71/12/1028987112.db2.gz NCSSVOFUVVCAND-UHFFFAOYSA-N -1 3 322.364 3.693 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000568075079 1029002354 /nfs/dbraw/zinc/00/23/54/1029002354.db2.gz WSDSAPJIAZXQBN-IBGZPJMESA-N -1 3 324.424 3.697 20 0 DHADHM CC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000568543871 1029090403 /nfs/dbraw/zinc/09/04/03/1029090403.db2.gz JRLGTRJPEJUEJM-UHFFFAOYSA-N -1 3 313.397 3.750 20 0 DHADHM CC(C)(C)Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449939273 1029093217 /nfs/dbraw/zinc/09/32/17/1029093217.db2.gz MVLHMFRLWMWDNO-UHFFFAOYSA-N -1 3 317.360 3.890 20 0 DHADHM CCCCC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001135842670 1029096067 /nfs/dbraw/zinc/09/60/67/1029096067.db2.gz ZGTVAJWTOVDQJU-HNNXBMFYSA-N -1 3 315.421 3.658 20 0 DHADHM CCCCC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001135842670 1029096080 /nfs/dbraw/zinc/09/60/80/1029096080.db2.gz ZGTVAJWTOVDQJU-HNNXBMFYSA-N -1 3 315.421 3.658 20 0 DHADHM C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@H]1C(=O)[O-] ZINC000300426511 1029116250 /nfs/dbraw/zinc/11/62/50/1029116250.db2.gz GLFDBMNVUYQHCD-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H](c2ccco2)C1 ZINC000450007646 1029140607 /nfs/dbraw/zinc/14/06/07/1029140607.db2.gz ZYCRWEJVAIVGFP-DOMZBBRYSA-N -1 3 317.360 3.667 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H](c2ccco2)C1 ZINC000450007649 1029141878 /nfs/dbraw/zinc/14/18/78/1029141878.db2.gz ZYCRWEJVAIVGFP-WFASDCNBSA-N -1 3 317.360 3.667 20 0 DHADHM CC(C)(C)c1nnc([N-]c2ccc(CO)c(C(F)(F)F)c2)o1 ZINC001214675596 1029186773 /nfs/dbraw/zinc/18/67/73/1029186773.db2.gz YJTCAHMQFHLSAQ-UHFFFAOYSA-N -1 3 315.295 3.622 20 0 DHADHM Cc1csc([C@H](C)NCc2c([O-])ccc(Cl)c2F)n1 ZINC000190941674 1029220773 /nfs/dbraw/zinc/22/07/73/1029220773.db2.gz SEEMMZWOMBITTH-QMMMGPOBSA-N -1 3 300.786 3.800 20 0 DHADHM CCCOc1ccc(CNCc2c([O-])ccc(Cl)c2F)cn1 ZINC000190985096 1029236609 /nfs/dbraw/zinc/23/66/09/1029236609.db2.gz DWTOOAQTKDIJHW-UHFFFAOYSA-N -1 3 324.783 3.658 20 0 DHADHM C[C@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450207603 1029257391 /nfs/dbraw/zinc/25/73/91/1029257391.db2.gz GCFFTYOYBKIJBE-YVEFUNNKSA-N -1 3 313.372 3.829 20 0 DHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(N)cc1[O-] ZINC000817913024 1029275703 /nfs/dbraw/zinc/27/57/03/1029275703.db2.gz MLAOZOLJGTYGDL-UHFFFAOYSA-N -1 3 310.397 3.691 20 0 DHADHM CC[C@@H](C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000570101594 1029312953 /nfs/dbraw/zinc/31/29/53/1029312953.db2.gz XUPGYFRTAUIHFY-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccccc3s2)n1 ZINC000155860622 1029323496 /nfs/dbraw/zinc/32/34/96/1029323496.db2.gz RONKLOLXLWFWHV-VIFPVBQESA-N -1 3 303.412 3.954 20 0 DHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412170590 1029349936 /nfs/dbraw/zinc/34/99/36/1029349936.db2.gz SXFIDSHAMHIHJJ-LRDDRELGSA-N -1 3 303.402 3.636 20 0 DHADHM COc1ccc(Cl)cc1CN(C)C(=O)c1c(C)cccc1[O-] ZINC001136129924 1029350065 /nfs/dbraw/zinc/35/00/65/1029350065.db2.gz IRMKALCKSNKXAQ-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC3(CCC3)c3ccccc32)cc1[O-] ZINC000412295474 1029393935 /nfs/dbraw/zinc/39/39/35/1029393935.db2.gz XRTVCVJLPKEVFV-UHFFFAOYSA-N -1 3 321.376 3.677 20 0 DHADHM CCc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000412404818 1029434547 /nfs/dbraw/zinc/43/45/47/1029434547.db2.gz VUSPHDVUNWNNSW-UHFFFAOYSA-N -1 3 315.800 3.848 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC001136265576 1029605880 /nfs/dbraw/zinc/60/58/80/1029605880.db2.gz CUJAEJQAEBIFPS-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM O=C(C=Cc1ccccc1Cl)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213232 1029689176 /nfs/dbraw/zinc/68/91/76/1029689176.db2.gz JJWOWSNIJWABGU-VMPITWQZSA-N -1 3 313.744 3.574 20 0 DHADHM O=C(C=Cc1ccc(Cl)cc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218375 1029704187 /nfs/dbraw/zinc/70/41/87/1029704187.db2.gz JMRTYKRLXSFDQE-BAQGIRSFSA-N -1 3 313.744 3.574 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1F ZINC000530678272 1029968005 /nfs/dbraw/zinc/96/80/05/1029968005.db2.gz LQTVCUSZBBCMRB-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(OCC1CC(F)(F)C1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085528 1030016678 /nfs/dbraw/zinc/01/66/78/1030016678.db2.gz IUIVFFMBOWREOC-UHFFFAOYSA-N -1 3 316.254 3.703 20 0 DHADHM O=C(Cc1cc(F)c(F)cc1F)Nc1c([O-])cccc1Cl ZINC000557183713 1030042476 /nfs/dbraw/zinc/04/24/76/1030042476.db2.gz NQQQNEHJFSNPNN-UHFFFAOYSA-N -1 3 315.678 3.644 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)Nc1c([O-])cccc1Cl ZINC000557184075 1030042516 /nfs/dbraw/zinc/04/25/16/1030042516.db2.gz UXRQFFLHBVTWDH-UHFFFAOYSA-N -1 3 308.765 3.793 20 0 DHADHM C[C@H](Sc1ccccn1)C(=O)Nc1c([O-])cccc1Cl ZINC000557180739 1030044047 /nfs/dbraw/zinc/04/40/47/1030044047.db2.gz KOLHONFABOUBBU-VIFPVBQESA-N -1 3 308.790 3.560 20 0 DHADHM CSCCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001136588643 1030047952 /nfs/dbraw/zinc/04/79/52/1030047952.db2.gz JOUWNBLYWNLERK-UHFFFAOYSA-N -1 3 319.401 3.618 20 0 DHADHM Cc1nc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cs1 ZINC000290787223 1030188993 /nfs/dbraw/zinc/18/89/93/1030188993.db2.gz RKOHZNCDMWHNFD-CQSZACIVSA-N -1 3 322.817 3.788 20 0 DHADHM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]2CCCC[C@H]12 ZINC000533239378 1030209375 /nfs/dbraw/zinc/20/93/75/1030209375.db2.gz ZJBCYRXKTNSUFG-YRGRVCCFSA-N -1 3 317.458 3.798 20 0 DHADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1cc([O-])cc(F)c1 ZINC000925567440 1030407220 /nfs/dbraw/zinc/40/72/20/1030407220.db2.gz DHLYNVSBWABVEJ-LBPRGKRZSA-N -1 3 303.381 3.694 20 0 DHADHM CC(C)CC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001136794213 1030418945 /nfs/dbraw/zinc/41/89/45/1030418945.db2.gz GJRQGZWDEONIIK-MRXNPFEDSA-N -1 3 321.417 3.702 20 0 DHADHM CC(C)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000016721034 1030480347 /nfs/dbraw/zinc/48/03/47/1030480347.db2.gz VOHNFIULMWHNSD-GZTJUZNOSA-N -1 3 306.365 3.533 20 0 DHADHM CSc1cc(Cl)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000824299910 1030519023 /nfs/dbraw/zinc/51/90/23/1030519023.db2.gz PHJGZPYMCPGGHN-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1cc(Cl)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000824299910 1030519037 /nfs/dbraw/zinc/51/90/37/1030519037.db2.gz PHJGZPYMCPGGHN-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM C[C@@H]1c2ccccc2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000777582194 1030560543 /nfs/dbraw/zinc/56/05/43/1030560543.db2.gz CGQTWCNZSCYKAS-CYBMUJFWSA-N -1 3 321.376 3.618 20 0 DHADHM Cc1nccn1Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212009837 1030650689 /nfs/dbraw/zinc/65/06/89/1030650689.db2.gz VOFSWKQBKIYKOT-UHFFFAOYSA-N -1 3 315.323 3.967 20 0 DHADHM COC(=O)c1cc(C)c(Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001212011061 1030655650 /nfs/dbraw/zinc/65/56/50/1030655650.db2.gz PCZASOKAATZWAA-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM CCOc1cc(Nc2ccc([O-])c(F)c2F)cc(C(=O)OC)c1 ZINC001212013773 1030659376 /nfs/dbraw/zinc/65/93/76/1030659376.db2.gz JEVUSZADJVJBAY-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1C1CC1 ZINC000358885399 1030664266 /nfs/dbraw/zinc/66/42/66/1030664266.db2.gz JPLNVKQKHMMTMG-UHFFFAOYSA-N -1 3 318.376 3.966 20 0 DHADHM COCCOc1cccc(F)c1Nc1ccc([O-])c(F)c1F ZINC001212016315 1030672241 /nfs/dbraw/zinc/67/22/41/1030672241.db2.gz JYOWVTAZZXLNMQ-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cc4cccc(C)c4o3)n[n-]2)o1 ZINC000359001151 1030719141 /nfs/dbraw/zinc/71/91/41/1030719141.db2.gz LAQJKSQXWNQFGT-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(F)F)cc3)n[n-]2)o1 ZINC000359015910 1030732793 /nfs/dbraw/zinc/73/27/93/1030732793.db2.gz OSYACYSJYHOQPD-UHFFFAOYSA-N -1 3 318.283 3.563 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC2CCCC2)nc1 ZINC000359357572 1030923616 /nfs/dbraw/zinc/92/36/16/1030923616.db2.gz FHAPMIQUBOETHQ-UHFFFAOYSA-N -1 3 316.332 3.500 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000615040029 1030946949 /nfs/dbraw/zinc/94/69/49/1030946949.db2.gz YUYZKBIAPOQISB-OAHLLOKOSA-N -1 3 303.427 3.519 20 0 DHADHM CCCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000844084627 1030949435 /nfs/dbraw/zinc/94/94/35/1030949435.db2.gz DERQLXLJSOBPEB-WHCAJBEMSA-N -1 3 305.340 3.593 20 0 DHADHM CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000615076178 1031044760 /nfs/dbraw/zinc/04/47/60/1031044760.db2.gz JGPLPEOLCLYIBN-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(C(CC)CC)s2)o1 ZINC000292600674 1031091243 /nfs/dbraw/zinc/09/12/43/1031091243.db2.gz VZTHYGYNACYQPA-UHFFFAOYSA-N -1 3 322.434 3.943 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc([S@](C)=O)cc1 ZINC000292744148 1031152843 /nfs/dbraw/zinc/15/28/43/1031152843.db2.gz APFOTVMMRDFBBB-MQJDWESPSA-N -1 3 323.845 3.634 20 0 DHADHM COc1cccc([C@H](C)CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871213584 1031163194 /nfs/dbraw/zinc/16/31/94/1031163194.db2.gz UUKWSNXCDNVZQB-LLVKDONJSA-N -1 3 319.323 3.579 20 0 DHADHM O=C(NOCCCC(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000871216316 1031164859 /nfs/dbraw/zinc/16/48/59/1031164859.db2.gz WANPMIIQRBTNEH-UHFFFAOYSA-N -1 3 319.304 3.611 20 0 DHADHM CCC(CC)(CNC(=O)Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000871265712 1031176524 /nfs/dbraw/zinc/17/65/24/1031176524.db2.gz QULFTVVUQOXJBD-UHFFFAOYSA-N -1 3 321.314 3.559 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1[O-] ZINC000871328943 1031198868 /nfs/dbraw/zinc/19/88/68/1031198868.db2.gz MZNPPJDKQJOZAT-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c(c1)CCCCC2 ZINC000844807010 1031350277 /nfs/dbraw/zinc/35/02/77/1031350277.db2.gz YXIPPNUJLZCZNN-MRXNPFEDSA-N -1 3 304.390 3.535 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c(c1)CCCCC2 ZINC000844807010 1031350299 /nfs/dbraw/zinc/35/02/99/1031350299.db2.gz YXIPPNUJLZCZNN-MRXNPFEDSA-N -1 3 304.390 3.535 20 0 DHADHM CCOc1cccc(F)c1CN[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000871877219 1031368396 /nfs/dbraw/zinc/36/83/96/1031368396.db2.gz BPVUDULRKVZBIV-STQMWFEESA-N -1 3 311.397 3.594 20 0 DHADHM C/C=C/c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000360324012 1031375650 /nfs/dbraw/zinc/37/56/50/1031375650.db2.gz JCWUONDKFNUNJZ-GORDUTHDSA-N -1 3 304.349 3.814 20 0 DHADHM COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872017415 1031399326 /nfs/dbraw/zinc/39/93/26/1031399326.db2.gz AZOCEMPXOXHZGE-NWDGAFQWSA-N -1 3 319.376 3.960 20 0 DHADHM CCc1ccc([C@H](COC)N[C@@H](C)c2cccc([O-])c2F)o1 ZINC000872037353 1031421995 /nfs/dbraw/zinc/42/19/95/1031421995.db2.gz AZCIALHAMHDFOH-FZMZJTMJSA-N -1 3 307.365 3.725 20 0 DHADHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cccc([O-])c1F ZINC000872052021 1031441087 /nfs/dbraw/zinc/44/10/87/1031441087.db2.gz AHMBASMUZITQBV-LBPRGKRZSA-N -1 3 318.392 3.954 20 0 DHADHM COc1ccc(C2(N[C@@H](C)c3cccc([O-])c3F)CC2)cc1 ZINC000872054901 1031445107 /nfs/dbraw/zinc/44/51/07/1031445107.db2.gz DHBKTCOHTGUATI-LBPRGKRZSA-N -1 3 301.361 3.880 20 0 DHADHM COCC[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872060343 1031454704 /nfs/dbraw/zinc/45/47/04/1031454704.db2.gz PAZDNYFBEFDXJW-JSGCOSHPSA-N -1 3 307.365 3.861 20 0 DHADHM CCN(CC)c1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000293438680 1031471731 /nfs/dbraw/zinc/47/17/31/1031471731.db2.gz BSJXEPMSBMCNIV-UHFFFAOYSA-N -1 3 319.836 3.577 20 0 DHADHM COC[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc(OC)c1 ZINC000872084568 1031481570 /nfs/dbraw/zinc/48/15/70/1031481570.db2.gz HACJBUUNWGKBIZ-LRDDRELGSA-N -1 3 319.376 3.578 20 0 DHADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000293543615 1031509495 /nfs/dbraw/zinc/50/94/95/1031509495.db2.gz SYTROUTXZASFOP-UHFFFAOYSA-N -1 3 321.808 3.621 20 0 DHADHM Cc1ccc(CN(Cc2cc(C(=O)[O-])cs2)CC2CC2)cn1 ZINC000872158399 1031541564 /nfs/dbraw/zinc/54/15/64/1031541564.db2.gz DDVAUOFTBLYHRC-UHFFFAOYSA-N -1 3 316.426 3.562 20 0 DHADHM COc1ccccc1[C@H]1CCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144542164 1031687937 /nfs/dbraw/zinc/68/79/37/1031687937.db2.gz QJXVQUKUIRJURF-LBPRGKRZSA-N -1 3 319.351 3.669 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC001144558708 1031710486 /nfs/dbraw/zinc/71/04/86/1031710486.db2.gz AWOOPBGUTYCXNQ-LBPRGKRZSA-N -1 3 307.315 3.799 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1CF ZINC000293989244 1031739543 /nfs/dbraw/zinc/73/95/43/1031739543.db2.gz GZCPSZHYDIIQHL-ZDUSSCGKSA-N -1 3 315.344 3.759 20 0 DHADHM CCC1(NC(=O)Cc2ccc([O-])c(F)c2)CCC(F)(F)CC1 ZINC001144633106 1031780817 /nfs/dbraw/zinc/78/08/17/1031780817.db2.gz FGEYAPSWVNBASN-UHFFFAOYSA-N -1 3 315.335 3.548 20 0 DHADHM CCN(Cc1ccc(OC)cc1)Cc1cc(F)c([O-])cc1F ZINC001144659473 1031811456 /nfs/dbraw/zinc/81/14/56/1031811456.db2.gz KAZULQYCFQATMR-UHFFFAOYSA-N -1 3 307.340 3.701 20 0 DHADHM COc1ccccc1C[C@H](C)N(C)Cc1cc(F)c([O-])cc1F ZINC001144659374 1031813214 /nfs/dbraw/zinc/81/32/14/1031813214.db2.gz GLRGAVCTRASGTA-LBPRGKRZSA-N -1 3 321.367 3.742 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1Cl ZINC000294271591 1031911240 /nfs/dbraw/zinc/91/12/40/1031911240.db2.gz OLGJEGJPURMECA-HIFRSBDPSA-N -1 3 321.804 3.727 20 0 DHADHM CCCc1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC000874134234 1031980370 /nfs/dbraw/zinc/98/03/70/1031980370.db2.gz IUEPCWLFWHXLHK-UHFFFAOYSA-N -1 3 303.359 3.742 20 0 DHADHM CCCc1nnc([N-]C(=O)c2nsc3ccc(C)cc32)s1 ZINC000294433353 1031995619 /nfs/dbraw/zinc/99/56/19/1031995619.db2.gz FCXOWFSMEAOUGW-UHFFFAOYSA-N -1 3 318.427 3.661 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1noc2c1CCCCC2 ZINC000294472079 1032016771 /nfs/dbraw/zinc/01/67/71/1032016771.db2.gz IRUKIQPINOFDRN-UHFFFAOYSA-N -1 3 310.275 3.613 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001144884407 1032033735 /nfs/dbraw/zinc/03/37/35/1032033735.db2.gz LVQJOVPOPIYCLU-NSHDSACASA-N -1 3 318.442 3.946 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(F)c(F)c1 ZINC000117868709 1033542028 /nfs/dbraw/zinc/54/20/28/1033542028.db2.gz DZUQRWSQXWLOKF-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C2CC2)C2CCC(C)CC2)cc1[O-] ZINC000667370006 1033542188 /nfs/dbraw/zinc/54/21/88/1033542188.db2.gz MHDYRZRQCGLZHV-UHFFFAOYSA-N -1 3 315.413 3.778 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCN(C3CC3)c3c(C)cccc32)c1 ZINC000478679166 1033552224 /nfs/dbraw/zinc/55/22/24/1033552224.db2.gz CIMQBJFAVGJCOZ-UHFFFAOYSA-N -1 3 322.408 3.638 20 0 DHADHM Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1 ZINC001173912598 1033943944 /nfs/dbraw/zinc/94/39/44/1033943944.db2.gz ZVEYARMTEOQWQF-UHFFFAOYSA-N -1 3 324.405 3.737 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc(F)cc(F)c1 ZINC001173912792 1033944248 /nfs/dbraw/zinc/94/42/48/1033944248.db2.gz GLHSVAZNSLRDFY-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CC1(C)CCC(C)(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000862965026 1033966880 /nfs/dbraw/zinc/96/68/80/1033966880.db2.gz HAHOMWFIXQBGAY-UHFFFAOYSA-N -1 3 312.413 3.617 20 0 DHADHM Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000879287443 1033973423 /nfs/dbraw/zinc/97/34/23/1033973423.db2.gz IHODAPDMCWBAFR-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)c1ccc(F)cc1 ZINC000023346312 1034028568 /nfs/dbraw/zinc/02/85/68/1034028568.db2.gz KFWXASJWBMYTLK-SECBINFHSA-N -1 3 317.341 3.797 20 0 DHADHM CCCCNC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174189048 1034206619 /nfs/dbraw/zinc/20/66/19/1034206619.db2.gz LRLOGODJEZEWGT-UHFFFAOYSA-N -1 3 319.792 3.714 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174192814 1034210282 /nfs/dbraw/zinc/21/02/82/1034210282.db2.gz KSSIIMLJXAXSNK-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM O=c1cc(Nc2cccc(-n3cccn3)c2)[n-]n1-c1ccccc1 ZINC001174300281 1034258345 /nfs/dbraw/zinc/25/83/45/1034258345.db2.gz WKGCQGLYXRBMFS-UHFFFAOYSA-N -1 3 317.352 3.507 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174322112 1034285792 /nfs/dbraw/zinc/28/57/92/1034285792.db2.gz GBRQRPDTRRPJKD-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM COc1cccc(/C(C)=C/C(=O)Nc2cccc([O-])c2F)c1 ZINC000128344966 1034288295 /nfs/dbraw/zinc/28/82/95/1034288295.db2.gz QAHVXJBNIWOMTH-PKNBQFBNSA-N -1 3 301.317 3.582 20 0 DHADHM Cn1cc(-c2ccc(Nc3ncc(Cl)cc3[O-])cc2)cn1 ZINC001174376859 1034351467 /nfs/dbraw/zinc/35/14/67/1034351467.db2.gz JOMLYUGSSRFONP-UHFFFAOYSA-N -1 3 300.749 3.585 20 0 DHADHM CCc1nc(CNC[C@H](CC(=O)[O-])C2CCCCCC2)cs1 ZINC000864521352 1034374012 /nfs/dbraw/zinc/37/40/12/1034374012.db2.gz IFYOMSXVKAJGQT-AWEZNQCLSA-N -1 3 324.490 3.856 20 0 DHADHM CCc1nc(CNC[C@@H](CC(=O)[O-])C2CCCCCC2)cs1 ZINC000864521354 1034374783 /nfs/dbraw/zinc/37/47/83/1034374783.db2.gz IFYOMSXVKAJGQT-CQSZACIVSA-N -1 3 324.490 3.856 20 0 DHADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1OC ZINC001174429588 1034377262 /nfs/dbraw/zinc/37/72/62/1034377262.db2.gz INAQGRULTPQXQN-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM Nc1ccc(Nc2cc(Br)cc(F)c2[O-])c(F)c1 ZINC001174484002 1034405598 /nfs/dbraw/zinc/40/55/98/1034405598.db2.gz WWEKDLFLSJLLSL-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM CCS(=O)(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174463102 1034425304 /nfs/dbraw/zinc/42/53/04/1034425304.db2.gz IEZFJPRGGFTRFI-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc3ccccc3s2)n1 ZINC000184360993 1034467515 /nfs/dbraw/zinc/46/75/15/1034467515.db2.gz VKWOZXSMUDCNJR-LLVKDONJSA-N -1 3 313.426 3.810 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174520890 1034479098 /nfs/dbraw/zinc/47/90/98/1034479098.db2.gz SMDIALHTYXBCKW-UHFFFAOYSA-N -1 3 305.765 3.931 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cc(C)cnc2F)s1 ZINC000864969355 1034487822 /nfs/dbraw/zinc/48/78/22/1034487822.db2.gz NOEZFQCBCVERMU-UHFFFAOYSA-N -1 3 308.382 3.537 20 0 DHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]OCc1ccccc1 ZINC000794821795 1034548713 /nfs/dbraw/zinc/54/87/13/1034548713.db2.gz XCUISXSFAKMYLL-HNNXBMFYSA-N -1 3 308.381 3.525 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899420541 1034655121 /nfs/dbraw/zinc/65/51/21/1034655121.db2.gz JZRSCHDRYGAQPW-NHYWBVRUSA-N -1 3 313.319 3.505 20 0 DHADHM CC(C)OC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174915982 1034680063 /nfs/dbraw/zinc/68/00/63/1034680063.db2.gz NMQRODRCTOQVAK-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM CC(C)OC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174918046 1034682622 /nfs/dbraw/zinc/68/26/22/1034682622.db2.gz RLYOKDHHNOIICP-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)c2ccccc2c1 ZINC000481263698 1034698280 /nfs/dbraw/zinc/69/82/80/1034698280.db2.gz XRGDMNMMHQPOTM-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM O=c1cc(Nc2ccc(F)c(F)c2F)[n-]n1-c1ccccc1 ZINC001174967144 1034716692 /nfs/dbraw/zinc/71/66/92/1034716692.db2.gz LFXQDLHPWIYNSM-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc(O)c1C ZINC000882122787 1034750148 /nfs/dbraw/zinc/75/01/48/1034750148.db2.gz NIHHFBQCZQEXSI-UHFFFAOYSA-N -1 3 317.360 3.815 20 0 DHADHM COc1cc(OC)c(F)c(Nc2c(F)cc([O-])cc2F)c1F ZINC001175100279 1034782113 /nfs/dbraw/zinc/78/21/13/1034782113.db2.gz LSNKUHINANEPRS-UHFFFAOYSA-N -1 3 317.238 3.709 20 0 DHADHM COc1cc(Nc2c(F)cc([O-])cc2F)cc2cccnc21 ZINC001175099780 1034782234 /nfs/dbraw/zinc/78/22/34/1034782234.db2.gz SMLHZPAHDIKMDP-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099448 1034782506 /nfs/dbraw/zinc/78/25/06/1034782506.db2.gz HHQZLJNVDPLFMP-UHFFFAOYSA-N -1 3 307.296 3.981 20 0 DHADHM Nc1ccc(OC(F)(F)F)cc1Nc1c(F)cc([O-])cc1F ZINC001175099480 1034782724 /nfs/dbraw/zinc/78/27/24/1034782724.db2.gz IPJNBWKADBRPNC-UHFFFAOYSA-N -1 3 320.217 3.895 20 0 DHADHM [O-]c1cc(F)c(Nc2cccc(O)c2Br)c(F)c1 ZINC001175102466 1034784458 /nfs/dbraw/zinc/78/44/58/1034784458.db2.gz LWVNTJUXDJAWFD-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1c(F)cc([O-])cc1F ZINC001175095757 1034811716 /nfs/dbraw/zinc/81/17/16/1034811716.db2.gz MEWRHPINMMGZGR-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM Cc1noc(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2)n1 ZINC001175098073 1034813140 /nfs/dbraw/zinc/81/31/40/1034813140.db2.gz XHCWCGVNLQVBTI-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM CCOC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1C ZINC001175098171 1034813692 /nfs/dbraw/zinc/81/36/92/1034813692.db2.gz ZTYJPOREWDLQPA-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM CN(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643394 1034860232 /nfs/dbraw/zinc/86/02/32/1034860232.db2.gz SCBRZRDGNGEVDW-UHFFFAOYSA-N -1 3 307.752 3.809 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncccc2Br)c1F ZINC001175261586 1034911497 /nfs/dbraw/zinc/91/14/97/1034911497.db2.gz NMDAZLRISLDIQY-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1ccc(-n2nccc2Nc2c(F)ccc([O-])c2F)cc1 ZINC001175264046 1034911766 /nfs/dbraw/zinc/91/17/66/1034911766.db2.gz QRIDEAQMYLSVIS-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM [O-]c1ccc(F)c(Nc2nc(F)ccc2Br)c1F ZINC001175263628 1034912262 /nfs/dbraw/zinc/91/22/62/1034912262.db2.gz NLFONUPXEFQRSZ-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CC(C)(C)NC(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175265436 1034913490 /nfs/dbraw/zinc/91/34/90/1034913490.db2.gz OLOOHDOBSVRBCR-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c2ncccc12 ZINC001175268148 1034913523 /nfs/dbraw/zinc/91/35/23/1034913523.db2.gz LMXNAAYEZTYNEM-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(Cn3ccnc3)cc2)c1F ZINC001175266011 1034914170 /nfs/dbraw/zinc/91/41/70/1034914170.db2.gz SFGNOKWXLSXUCI-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(C)(C)c1nc2ccc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175266369 1034914814 /nfs/dbraw/zinc/91/48/14/1034914814.db2.gz YMDCYSFNCVBNDD-UHFFFAOYSA-N -1 3 318.327 3.754 20 0 DHADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c2ccncc12 ZINC001175269082 1034915915 /nfs/dbraw/zinc/91/59/15/1034915915.db2.gz APTRYWQGUDIFJB-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CO[C@H]1CCOc2c(Nc3c(F)ccc([O-])c3F)cccc21 ZINC001175269124 1034915972 /nfs/dbraw/zinc/91/59/72/1034915972.db2.gz CUJQAYXGOFLAHL-ZDUSSCGKSA-N -1 3 307.296 3.884 20 0 DHADHM CC(C)Oc1cccc(F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431749 1034980440 /nfs/dbraw/zinc/98/04/40/1034980440.db2.gz LMVBPUULRHMVMJ-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM Fc1ccc(C(F)(F)F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430200 1034980793 /nfs/dbraw/zinc/98/07/93/1034980793.db2.gz KGKOYACVEBHKGA-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM CCS(=O)(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001175452792 1035005339 /nfs/dbraw/zinc/00/53/39/1035005339.db2.gz VHMXYQSDUDUJTO-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000482013854 1035046353 /nfs/dbraw/zinc/04/63/53/1035046353.db2.gz YJCQWUVGAYAHMF-GXFFZTMASA-N -1 3 315.335 3.758 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 ZINC000615166490 1035098617 /nfs/dbraw/zinc/09/86/17/1035098617.db2.gz BDGQXVPHUPWNAH-HNNXBMFYSA-N -1 3 305.443 3.765 20 0 DHADHM COc1c(Cl)cc(Nc2cnc(C)[n-]c2=O)cc1Cl ZINC001176308792 1035249004 /nfs/dbraw/zinc/24/90/04/1035249004.db2.gz HNXBLQHXXIPHCL-UHFFFAOYSA-N -1 3 300.145 3.550 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000160869850 1035256883 /nfs/dbraw/zinc/25/68/83/1035256883.db2.gz DYKZCHVDPPDLLV-GFCCVEGCSA-N -1 3 313.781 3.846 20 0 DHADHM CN(C)[C@@H]1CCOc2c(Nc3csc(C(=O)[O-])c3)cccc21 ZINC001176440062 1035264808 /nfs/dbraw/zinc/26/48/08/1035264808.db2.gz FGAANPGYZMLBQA-CYBMUJFWSA-N -1 3 318.398 3.575 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001176465474 1035274922 /nfs/dbraw/zinc/27/49/22/1035274922.db2.gz BGXSFAOXUYSHEP-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001176465637 1035274984 /nfs/dbraw/zinc/27/49/84/1035274984.db2.gz DGOJKWFUJRVYBE-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM Cc1ccc(Nc2cnc(N3CCCCC3)nc2)c(Cl)c1[O-] ZINC001176508607 1035283799 /nfs/dbraw/zinc/28/37/99/1035283799.db2.gz WUABNBMFPXNHMT-UHFFFAOYSA-N -1 3 318.808 3.878 20 0 DHADHM CN1CCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2C1 ZINC001176673819 1035312223 /nfs/dbraw/zinc/31/22/23/1035312223.db2.gz NIYAIIJFIPKFRT-UHFFFAOYSA-N -1 3 308.303 3.541 20 0 DHADHM CC(C)Oc1ncccc1Nc1nc2c(cccc2[O-])s1 ZINC001176730575 1035319816 /nfs/dbraw/zinc/31/98/16/1035319816.db2.gz PHNKDUBJWXWNEI-UHFFFAOYSA-N -1 3 301.371 3.928 20 0 DHADHM O=C([O-])C[C@@H](CCc1ccccc1)NCc1c(F)cccc1F ZINC000904037716 1035349214 /nfs/dbraw/zinc/34/92/14/1035349214.db2.gz ANYONBWVRQBLCA-CQSZACIVSA-N -1 3 319.351 3.531 20 0 DHADHM CC(C)(C)c1nc(CN[C@H](CC(=O)[O-])C2CCCC2)cs1 ZINC000904040430 1035350409 /nfs/dbraw/zinc/35/04/09/1035350409.db2.gz DFLUUFGSICHZLV-CYBMUJFWSA-N -1 3 310.463 3.564 20 0 DHADHM CCNc1ccc(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000484549668 1035360468 /nfs/dbraw/zinc/36/04/68/1035360468.db2.gz VVAGJEUNHBAPSF-UHFFFAOYSA-N -1 3 308.740 3.869 20 0 DHADHM CC[C@H](N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2)c1cc(F)ccc1F ZINC000904221851 1035385625 /nfs/dbraw/zinc/38/56/25/1035385625.db2.gz QPEYPIAWEYYZLO-SOUVJXGZSA-N -1 3 324.371 3.584 20 0 DHADHM Cc1ccc(CCC(=O)Nc2ncccc2[O-])c2ccccc12 ZINC001178593998 1035436439 /nfs/dbraw/zinc/43/64/39/1035436439.db2.gz OFNUOLKVZRYTLH-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM CC(C)C(C)(C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485128331 1035475861 /nfs/dbraw/zinc/47/58/61/1035475861.db2.gz NJWDDVBKZXBXCV-UHFFFAOYSA-N -1 3 312.373 3.839 20 0 DHADHM COCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCC1 ZINC000457671144 1035583648 /nfs/dbraw/zinc/58/36/48/1035583648.db2.gz UJPVUNNQBANFFG-UHFFFAOYSA-N -1 3 317.307 3.556 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c([O-])c1 ZINC001180184722 1035607339 /nfs/dbraw/zinc/60/73/39/1035607339.db2.gz RPSPZBJUWHHVAV-KRWDZBQOSA-N -1 3 312.413 3.921 20 0 DHADHM COc1ccc([C@@H](NCc2ccoc2C(=O)[O-])C2CCC2)cc1 ZINC000905753288 1035646536 /nfs/dbraw/zinc/64/65/36/1035646536.db2.gz ZIMYOCXRGWCANY-INIZCTEOSA-N -1 3 315.369 3.617 20 0 DHADHM CC(C)c1csc(C(=O)[N-]c2cc(Cl)nnc2Cl)n1 ZINC001193500829 1035650455 /nfs/dbraw/zinc/65/04/55/1035650455.db2.gz JOJUGSQFXUAAJT-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM CCc1ccc2c(c1)CCN2C(=O)c1cc([O-])ccc1Cl ZINC001180441319 1035673817 /nfs/dbraw/zinc/67/38/17/1035673817.db2.gz XDHLGDXWDLFYDU-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM O=C([O-])C[C@@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000905814495 1035674007 /nfs/dbraw/zinc/67/40/07/1035674007.db2.gz KDFULBWCDNONDO-PWSUYJOCSA-N -1 3 322.455 3.605 20 0 DHADHM CC[C@@H](NC(=O)c1c(C)cc(O)cc1[O-])c1ccc(C)cc1C ZINC001193945693 1035792031 /nfs/dbraw/zinc/79/20/31/1035792031.db2.gz IJAAJVYNDGHMFM-MRXNPFEDSA-N -1 3 313.397 3.904 20 0 DHADHM CC(C)CCOC(=O)[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443518 1035855814 /nfs/dbraw/zinc/85/58/14/1035855814.db2.gz HYEPJEDQIOJNII-VIFPVBQESA-N -1 3 304.745 3.541 20 0 DHADHM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001194232689 1035866719 /nfs/dbraw/zinc/86/67/19/1035866719.db2.gz BQAJQUWSSLUXQT-CYBMUJFWSA-N -1 3 322.257 3.708 20 0 DHADHM O=C(CC1c2ccccc2-c2ccccc21)Nc1ncccc1[O-] ZINC001181306916 1035885599 /nfs/dbraw/zinc/88/55/99/1035885599.db2.gz IRFAEDBKJBKRRN-UHFFFAOYSA-N -1 3 316.360 3.928 20 0 DHADHM Cc1cc(SCC(=O)Nc2cncc([O-])c2)c(C)cc1Cl ZINC001181521097 1035940186 /nfs/dbraw/zinc/94/01/86/1035940186.db2.gz UTTGYXOYIWMYHT-UHFFFAOYSA-N -1 3 322.817 3.788 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000646872226 1035946342 /nfs/dbraw/zinc/94/63/42/1035946342.db2.gz ZJIGZSJVNDCCTA-HZMBPMFUSA-N -1 3 313.319 3.816 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)S(=O)(=O)c1cccc([O-])c1 ZINC000350599168 1036075976 /nfs/dbraw/zinc/07/59/76/1036075976.db2.gz ONAKJLREIYYPNG-OAHLLOKOSA-N -1 3 312.337 3.595 20 0 DHADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC001182183912 1036118309 /nfs/dbraw/zinc/11/83/09/1036118309.db2.gz KPLUKQQKMYPJKG-CYBMUJFWSA-N -1 3 311.360 3.568 20 0 DHADHM O=C(c1ccc(Cl)[n-]c1=O)N1CCC[C@@H]1C1CCCCC1 ZINC001195135448 1036148604 /nfs/dbraw/zinc/14/86/04/1036148604.db2.gz WWDSNZCGCMTVCH-CYBMUJFWSA-N -1 3 308.809 3.626 20 0 DHADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C2CCCC2)n1 ZINC000907139503 1036154811 /nfs/dbraw/zinc/15/48/11/1036154811.db2.gz JPRXDHXSPKWPMT-UHFFFAOYSA-N -1 3 319.792 3.689 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000907139455 1036155040 /nfs/dbraw/zinc/15/50/40/1036155040.db2.gz HDRRRFHQZDCOLC-NSHDSACASA-N -1 3 309.793 3.724 20 0 DHADHM C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)[C@@H](C(=O)[O-])C1 ZINC000228829512 1036203889 /nfs/dbraw/zinc/20/38/89/1036203889.db2.gz LGHSVAUXSYGWOF-BXKDBHETSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(NCC1CCCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646578474 1036223083 /nfs/dbraw/zinc/22/30/83/1036223083.db2.gz UBWDLVLFDPYNCC-UHFFFAOYSA-N -1 3 301.308 3.721 20 0 DHADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2ccncc2[O-])CC1 ZINC001182626135 1036404114 /nfs/dbraw/zinc/40/41/14/1036404114.db2.gz FFRLUFXDGBIUFX-SHYRYGCCSA-N -1 3 316.445 3.780 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(CC2CCOCC2)no1 ZINC000761973314 1036429118 /nfs/dbraw/zinc/42/91/18/1036429118.db2.gz LCLLMFNECIDDJG-UHFFFAOYSA-N -1 3 310.353 3.565 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196969875 1036650287 /nfs/dbraw/zinc/65/02/87/1036650287.db2.gz ORAQPLOFQXBZOO-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c([O-])c1C ZINC000762318769 1036702138 /nfs/dbraw/zinc/70/21/38/1036702138.db2.gz KTYQAGUQXNIOBX-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM CC(C)CC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000569863631 1036707731 /nfs/dbraw/zinc/70/77/31/1036707731.db2.gz GRJWANDIPWGTTH-AWEZNQCLSA-N -1 3 319.449 3.640 20 0 DHADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000668810950 1036788162 /nfs/dbraw/zinc/78/81/62/1036788162.db2.gz KEJTWOPIFLUYOR-LBPRGKRZSA-N -1 3 316.426 3.732 20 0 DHADHM CC(C)O[C@H]1C[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001122973965 1036834379 /nfs/dbraw/zinc/83/43/79/1036834379.db2.gz NKFFOPHVJHSYMR-AOOOYVTPSA-N -1 3 324.327 3.613 20 0 DHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccn1 ZINC000910349767 1036854975 /nfs/dbraw/zinc/85/49/75/1036854975.db2.gz ZDKALEDQRXGSIQ-HNNXBMFYSA-N -1 3 316.376 3.517 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1cccs1)C1CC1 ZINC000236601630 1036968203 /nfs/dbraw/zinc/96/82/03/1036968203.db2.gz NDDWQHCUCWDCIU-UHFFFAOYSA-N -1 3 307.802 3.912 20 0 DHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1csc(Cl)c1 ZINC001185096685 1037025030 /nfs/dbraw/zinc/02/50/30/1037025030.db2.gz LJIONCPWTSTNEO-UHFFFAOYSA-N -1 3 323.773 3.622 20 0 DHADHM COc1cc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1C ZINC001185392840 1037124331 /nfs/dbraw/zinc/12/43/31/1037124331.db2.gz XLAWQPBWSKKIKY-UHFFFAOYSA-N -1 3 317.819 3.519 20 0 DHADHM O=C(CCc1nc2cc(Cl)ccc2s1)[N-]OC1CCCC1 ZINC000774874377 1037133312 /nfs/dbraw/zinc/13/33/12/1037133312.db2.gz DZQBGLIIWGYGSN-UHFFFAOYSA-N -1 3 324.833 3.873 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(F)c1F ZINC001185828271 1037245074 /nfs/dbraw/zinc/24/50/74/1037245074.db2.gz AGDIYMLLBHNUHU-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM COc1ccc2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc2c1 ZINC000170217678 1037304362 /nfs/dbraw/zinc/30/43/62/1037304362.db2.gz PYGPOUQYUQGXMX-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cccn1Cc1ccccc1 ZINC001199778398 1037337340 /nfs/dbraw/zinc/33/73/40/1037337340.db2.gz JHTWLUNCGFRZNO-UHFFFAOYSA-N -1 3 310.328 3.633 20 0 DHADHM [O-]c1cccc(C(F)(F)F)c1NC(=S)Nc1cccnc1 ZINC001199902687 1037359071 /nfs/dbraw/zinc/35/90/71/1037359071.db2.gz IUBGACXLKNSHAJ-UHFFFAOYSA-N -1 3 313.304 3.615 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2coc(-c3cccs3)n2)n1 ZINC000763215482 1037505248 /nfs/dbraw/zinc/50/52/48/1037505248.db2.gz KGVBMTFAXJTNFN-UHFFFAOYSA-N -1 3 319.411 3.641 20 0 DHADHM O=S(=O)([N-]C1(c2cccc(F)c2)CCCCC1)c1ccco1 ZINC001186875524 1037509500 /nfs/dbraw/zinc/50/95/00/1037509500.db2.gz JVAJJZPWTZTFKB-UHFFFAOYSA-N -1 3 323.389 3.557 20 0 DHADHM Cc1c(Nc2cc([O-])c(F)cc2F)cnn1-c1ccccc1 ZINC001201376028 1037641110 /nfs/dbraw/zinc/64/11/10/1037641110.db2.gz YZEACYPFIWOHFD-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c1[O-] ZINC000913134518 1037732284 /nfs/dbraw/zinc/73/22/84/1037732284.db2.gz KPLBUKOYMQBTLI-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])c(F)c1 ZINC001187925651 1037754398 /nfs/dbraw/zinc/75/43/98/1037754398.db2.gz QLJZMNFNXKJCIY-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1[O-] ZINC001187924772 1037756474 /nfs/dbraw/zinc/75/64/74/1037756474.db2.gz DMIZOVDIOYYCAG-UHFFFAOYSA-N -1 3 310.712 3.837 20 0 DHADHM CCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)CC ZINC000347437838 1037790090 /nfs/dbraw/zinc/79/00/90/1037790090.db2.gz LCBAUXSXPRDKSG-ZDUSSCGKSA-N -1 3 300.402 3.569 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000913298468 1037790115 /nfs/dbraw/zinc/79/01/15/1037790115.db2.gz MNGVMPYVYQBEFU-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000913298468 1037790135 /nfs/dbraw/zinc/79/01/35/1037790135.db2.gz MNGVMPYVYQBEFU-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM [O-]c1cc(F)cc(CNc2cccc(Oc3cnccn3)c2)c1 ZINC000185481159 1037811179 /nfs/dbraw/zinc/81/11/79/1037811179.db2.gz YOEDMQLDSMFLLW-UHFFFAOYSA-N -1 3 311.316 3.726 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccnn2Cc2ccccc2F)c1 ZINC000185578827 1037816486 /nfs/dbraw/zinc/81/64/86/1037816486.db2.gz ROEXOEMFKITMHC-UHFFFAOYSA-N -1 3 315.323 3.527 20 0 DHADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])cnn1CCC(C)C ZINC000124437071 1037899041 /nfs/dbraw/zinc/89/90/41/1037899041.db2.gz ZSOIEWNKHZIUDP-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(C(F)(F)F)[nH]1 ZINC001188508413 1037916510 /nfs/dbraw/zinc/91/65/10/1037916510.db2.gz IAQKGIDAFXUWFP-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc(F)cc1F ZINC001202015033 1037966703 /nfs/dbraw/zinc/96/67/03/1037966703.db2.gz RUCBJQWLWIQCAC-UHFFFAOYSA-N -1 3 305.240 3.857 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccccc1Cl ZINC001202053057 1037993751 /nfs/dbraw/zinc/99/37/51/1037993751.db2.gz DVWYMRRRSGUZTL-UHFFFAOYSA-N -1 3 305.643 3.991 20 0 DHADHM CCCc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)s1 ZINC001189512858 1038162498 /nfs/dbraw/zinc/16/24/98/1038162498.db2.gz LGSLPZMRVSSRRX-UHFFFAOYSA-N -1 3 301.371 3.535 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571535397 1038167117 /nfs/dbraw/zinc/16/71/17/1038167117.db2.gz PJMWHPWEICBYKT-UHFFFAOYSA-N -1 3 309.369 3.579 20 0 DHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1csc(Cl)c1 ZINC001189650839 1038188280 /nfs/dbraw/zinc/18/82/80/1038188280.db2.gz GUYADWUWLJNWRO-UHFFFAOYSA-N -1 3 323.773 3.622 20 0 DHADHM COc1ccc(C)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000055555893 1038188837 /nfs/dbraw/zinc/18/88/37/1038188837.db2.gz DNMWIFUAUJDCBL-KHPPLWFESA-N -1 3 317.410 3.725 20 0 DHADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000055576846 1038190688 /nfs/dbraw/zinc/19/06/88/1038190688.db2.gz NDVJEQIJHROPRY-SREVYHEPSA-N -1 3 309.337 3.686 20 0 DHADHM C[C@@H]1CCCCN(C(=O)c2cccc(OC(F)(F)F)c2[O-])C1 ZINC001189755178 1038204711 /nfs/dbraw/zinc/20/47/11/1038204711.db2.gz KYQNYVHQNWUEMB-SNVBAGLBSA-N -1 3 317.307 3.553 20 0 DHADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC001190512962 1038331657 /nfs/dbraw/zinc/33/16/57/1038331657.db2.gz XAMKMOBBOVFDIF-UHFFFAOYSA-N -1 3 322.257 3.995 20 0 DHADHM CC[C@@H](C)C1CCC(NC(=O)c2ccc(=O)[n-]c2Cl)CC1 ZINC001190918428 1038409749 /nfs/dbraw/zinc/40/97/49/1038409749.db2.gz QYYUCBNWJBCJHF-VOMCLLRMSA-N -1 3 310.825 3.775 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC001191195808 1038457785 /nfs/dbraw/zinc/45/77/85/1038457785.db2.gz ZSWBNNJWYQBLGY-QGZVFWFLSA-N -1 3 311.429 3.780 20 0 DHADHM O=C([N-]c1cc(-c2ccc(F)c(F)c2)no1)Nc1ccccn1 ZINC001191299500 1038482809 /nfs/dbraw/zinc/48/28/09/1038482809.db2.gz OZRFEINCQYWAJN-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cccc(F)c1 ZINC001191855002 1038551897 /nfs/dbraw/zinc/55/18/97/1038551897.db2.gz CNOJXZKSCWCSIU-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000669356308 1038622912 /nfs/dbraw/zinc/62/29/12/1038622912.db2.gz XIVHRIPEUYMNLD-SJCJKPOMSA-N -1 3 313.422 3.947 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC2(c3cccnc3)CC2)c([O-])c1 ZINC001192335950 1038628998 /nfs/dbraw/zinc/62/89/98/1038628998.db2.gz PYLYXQWMCPDTAR-UHFFFAOYSA-N -1 3 310.397 3.504 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCc3cnccc32)c([O-])c1 ZINC001192340295 1038632020 /nfs/dbraw/zinc/63/20/20/1038632020.db2.gz OMVKNLOFXGAXBC-QGZVFWFLSA-N -1 3 324.424 3.892 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@H]2CCCc3cnccc32)c([O-])c1 ZINC001192340293 1038633332 /nfs/dbraw/zinc/63/33/32/1038633332.db2.gz OMVKNLOFXGAXBC-KRWDZBQOSA-N -1 3 324.424 3.892 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1C ZINC000604971936 1039584229 /nfs/dbraw/zinc/58/42/29/1039584229.db2.gz FRSMCXAXTKCLJX-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC[C@H](C)CN(C)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000171890582 1039666376 /nfs/dbraw/zinc/66/63/76/1039666376.db2.gz ACBKKOFQSUHYAR-ZDUSSCGKSA-N -1 3 310.511 3.999 20 0 DHADHM CC[C@@H](C)CN(C)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000171890581 1039667069 /nfs/dbraw/zinc/66/70/69/1039667069.db2.gz ACBKKOFQSUHYAR-CYBMUJFWSA-N -1 3 310.511 3.999 20 0 DHADHM CCc1nc(CN(C)Cc2c([O-])ccc3ccncc32)cs1 ZINC000063128505 1040130120 /nfs/dbraw/zinc/13/01/20/1040130120.db2.gz BZCSDIXXSXXUDB-UHFFFAOYSA-N -1 3 313.426 3.591 20 0 DHADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccc(OC(F)F)cc1 ZINC000063895526 1040582172 /nfs/dbraw/zinc/58/21/72/1040582172.db2.gz DQXQLEMJGKQDHJ-SNVBAGLBSA-N -1 3 308.280 3.912 20 0 DHADHM COCCOc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000060421329 1040634491 /nfs/dbraw/zinc/63/44/91/1040634491.db2.gz HOIDALCDOBKDPN-XDHOZWIPSA-N -1 3 319.788 3.690 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456248573 1040746445 /nfs/dbraw/zinc/74/64/45/1040746445.db2.gz KBPYXPZVPVUKSD-DNVCBOLYSA-N -1 3 317.404 3.501 20 0 DHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000534210095 1040746627 /nfs/dbraw/zinc/74/66/27/1040746627.db2.gz JNNPHMPBMXQSGY-XJKCOSOUSA-N -1 3 323.408 3.947 20 0 DHADHM CSCCc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000601926852 1040822677 /nfs/dbraw/zinc/82/26/77/1040822677.db2.gz GUFFBKPQZJWVPL-UHFFFAOYSA-N -1 3 315.442 3.577 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC000456850210 1040951516 /nfs/dbraw/zinc/95/15/16/1040951516.db2.gz VXVJJDLYILGUST-SFHVURJKSA-N -1 3 319.470 3.875 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000092429795 185317856 /nfs/dbraw/zinc/31/78/56/185317856.db2.gz ZXTXQKSCWRYKSA-MRXNPFEDSA-N -1 3 323.392 3.578 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc(Cl)cs1)c1ccsc1 ZINC000417534937 334956176 /nfs/dbraw/zinc/95/61/76/334956176.db2.gz OUCFPFFMNAGVGH-LLVKDONJSA-N -1 3 301.820 3.769 20 0 DHADHM CC(C)CCc1nc(C[S@](=O)c2ccc([O-])cc2)cs1 ZINC000108086583 185500550 /nfs/dbraw/zinc/50/05/50/185500550.db2.gz KXAAMNJEOAIAGM-HXUWFJFHSA-N -1 3 309.456 3.745 20 0 DHADHM Cc1ccc(NC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000003569967 181036268 /nfs/dbraw/zinc/03/62/68/181036268.db2.gz NKVWIXXAJVWACR-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000188391464 200239044 /nfs/dbraw/zinc/23/90/44/200239044.db2.gz JDTXZFNSWVXFAA-UHFFFAOYSA-N -1 3 322.459 3.631 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000448613636 541326688 /nfs/dbraw/zinc/32/66/88/541326688.db2.gz OBHJBUZYVKAEEO-RRFJBIMHSA-N -1 3 305.393 3.549 20 0 DHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(C2CCCC2)cc1 ZINC000417582587 334998670 /nfs/dbraw/zinc/99/86/70/334998670.db2.gz ISAUDELCCOXXGH-CQSZACIVSA-N -1 3 315.335 3.839 20 0 DHADHM COc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000417605896 335006848 /nfs/dbraw/zinc/00/68/48/335006848.db2.gz ZEXATXFYYFZLBR-QGZVFWFLSA-N -1 3 313.397 3.699 20 0 DHADHM C[C@@H](CCC(=O)[O-])NCc1ccc(-c2ccccc2)cc1F ZINC000417614977 335008458 /nfs/dbraw/zinc/00/84/58/335008458.db2.gz SVYIILLUXQXMCJ-ZDUSSCGKSA-N -1 3 301.361 3.836 20 0 DHADHM CC(C)C[C@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000417616530 335009276 /nfs/dbraw/zinc/00/92/76/335009276.db2.gz AZNJETXPLMASBK-CQSZACIVSA-N -1 3 318.442 3.647 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000417622089 335017424 /nfs/dbraw/zinc/01/74/24/335017424.db2.gz LLRJWNAWVNSLLF-ZDUSSCGKSA-N -1 3 322.405 3.682 20 0 DHADHM Cc1ccc(-c2ccc(CNC[C@H](CC(=O)[O-])C(F)F)o2)cc1 ZINC000417623498 335018064 /nfs/dbraw/zinc/01/80/64/335018064.db2.gz MZONGDNIAZTRQP-ZDUSSCGKSA-N -1 3 323.339 3.701 20 0 DHADHM Cc1cc(C(=O)CCC(=O)Nc2ccccc2[O-])c(C)s1 ZINC000016483116 182046689 /nfs/dbraw/zinc/04/66/89/182046689.db2.gz NUZWLYXEVUGURS-UHFFFAOYSA-N -1 3 303.383 3.672 20 0 DHADHM C[C@@H](CC(C)(C)NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000417638805 335022595 /nfs/dbraw/zinc/02/25/95/335022595.db2.gz QGDZJOTWUFYYAI-VIFPVBQESA-N -1 3 304.217 3.972 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000021913639 182298449 /nfs/dbraw/zinc/29/84/49/182298449.db2.gz VPMYPAAMGGFLNN-SNVBAGLBSA-N -1 3 320.186 3.646 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000417644396 335024373 /nfs/dbraw/zinc/02/43/73/335024373.db2.gz AOZATGNZCZZBDW-DGCLKSJQSA-N -1 3 310.463 3.564 20 0 DHADHM CC[C@H](CCNCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000417672418 335037104 /nfs/dbraw/zinc/03/71/04/335037104.db2.gz SRFMTQKPAIUDMH-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cc(C(C)=O)cs2)s1 ZINC000106595007 194236195 /nfs/dbraw/zinc/23/61/95/194236195.db2.gz UCGCVRMVBPKWRA-UHFFFAOYSA-N -1 3 323.443 3.787 20 0 DHADHM [O-]c1coc2cc(OCc3cccc(Br)c3)ccc12 ZINC000057524156 184040784 /nfs/dbraw/zinc/04/07/84/184040784.db2.gz QJVCMRTZGUEFKU-UHFFFAOYSA-N -1 3 319.154 3.603 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c([O-])c(C(C)C)c1 ZINC000193927706 335054945 /nfs/dbraw/zinc/05/49/45/335054945.db2.gz SPHHQANMOMOLFF-ZDUSSCGKSA-N -1 3 317.429 3.690 20 0 DHADHM COc1cc(C(=O)N(Cc2ccco2)C2CCCC2)ccc1[O-] ZINC000272582318 130043698 /nfs/dbraw/zinc/04/36/98/130043698.db2.gz GEPHKHWKACRXSA-UHFFFAOYSA-N -1 3 315.369 3.579 20 0 DHADHM Cc1nc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cs1 ZINC000273494456 130128883 /nfs/dbraw/zinc/12/88/83/130128883.db2.gz WXQBCKNVRYZARS-UHFFFAOYSA-N -1 3 315.398 3.921 20 0 DHADHM CC[C@@H]1C[C@@H](CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000274380787 130230333 /nfs/dbraw/zinc/23/03/33/130230333.db2.gz MYEPKAACOFSWDF-QLFBSQMISA-N -1 3 317.429 3.828 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000274402378 130232264 /nfs/dbraw/zinc/23/22/64/130232264.db2.gz GAUUKXIARWONCY-KRWDZBQOSA-N -1 3 301.361 3.707 20 0 DHADHM CC[C@H](C)Oc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275167132 130295354 /nfs/dbraw/zinc/29/53/54/130295354.db2.gz BLRSEIKFXJFVII-JTQLQIEISA-N -1 3 320.311 3.869 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275167132 130295355 /nfs/dbraw/zinc/29/53/55/130295355.db2.gz BLRSEIKFXJFVII-JTQLQIEISA-N -1 3 320.311 3.869 20 0 DHADHM Cc1ccc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c([O-])c1 ZINC000281606382 130873381 /nfs/dbraw/zinc/87/33/81/130873381.db2.gz WELBJQMUKGQRIK-UHFFFAOYSA-N -1 3 323.396 3.784 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000287081904 131262657 /nfs/dbraw/zinc/26/26/57/131262657.db2.gz QRHZOSQDUAROHV-UHFFFAOYSA-N -1 3 323.418 3.509 20 0 DHADHM CCOc1cc(-c2noc(-c3ccoc3C3CC3)n2)ccc1[O-] ZINC000289019298 131352024 /nfs/dbraw/zinc/35/20/24/131352024.db2.gz FJWJHZZZHQCCNC-UHFFFAOYSA-N -1 3 312.325 3.978 20 0 DHADHM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CCO1 ZINC000293512675 131741904 /nfs/dbraw/zinc/74/19/04/131741904.db2.gz XIWWXIWECHFCGU-RYUDHWBXSA-N -1 3 310.353 3.878 20 0 DHADHM CC(C)O[N-]C(=O)Nc1cccc(Cl)c1Br ZINC000297788977 132034159 /nfs/dbraw/zinc/03/41/59/132034159.db2.gz MNIGCFOYMLZIPN-UHFFFAOYSA-N -1 3 307.575 3.564 20 0 DHADHM CCOc1cc(CN(CC(F)F)C2CC2)cc(Cl)c1[O-] ZINC000297615575 132025959 /nfs/dbraw/zinc/02/59/59/132025959.db2.gz GWOIYBZLSYOVSB-UHFFFAOYSA-N -1 3 305.752 3.674 20 0 DHADHM CC(C)ON=C([O-])Nc1cccc(Cl)c1Br ZINC000297788977 132034157 /nfs/dbraw/zinc/03/41/57/132034157.db2.gz MNIGCFOYMLZIPN-UHFFFAOYSA-N -1 3 307.575 3.564 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cnc(C2CC2)nc1 ZINC000297866908 132038232 /nfs/dbraw/zinc/03/82/32/132038232.db2.gz TUDFADZZVXKQOJ-UHFFFAOYSA-N -1 3 317.389 3.857 20 0 DHADHM C[C@H](NCc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)[O-] ZINC000340675327 132143792 /nfs/dbraw/zinc/14/37/92/132143792.db2.gz GDXOMIYLKFGIAW-QMMMGPOBSA-N -1 3 314.168 3.816 20 0 DHADHM O=C([O-])CCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000340680086 132144592 /nfs/dbraw/zinc/14/45/92/132144592.db2.gz YDJQGJWQNHDOSV-UHFFFAOYSA-N -1 3 305.761 3.697 20 0 DHADHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCCCC1 ZINC000340777141 132187874 /nfs/dbraw/zinc/18/78/74/132187874.db2.gz ZGOJQJPQIVCVED-UHFFFAOYSA-N -1 3 318.804 3.586 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1c(Cl)cccc1Cl ZINC000417714437 335070322 /nfs/dbraw/zinc/07/03/22/335070322.db2.gz ZVORZMSBHSAWRD-CYBMUJFWSA-N -1 3 302.201 3.726 20 0 DHADHM CC(C)CCc1cc(NC(=O)Cc2ccc([O-])cc2Cl)n[nH]1 ZINC000471421242 429711838 /nfs/dbraw/zinc/71/18/38/429711838.db2.gz BNWYSHFXARFXTC-UHFFFAOYSA-N -1 3 321.808 3.539 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000109036965 331504498 /nfs/dbraw/zinc/50/44/98/331504498.db2.gz XFHYBXWJVVSZAV-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1OC1CCCC1 ZINC000179437684 331524096 /nfs/dbraw/zinc/52/40/96/331524096.db2.gz KZQQKTGDJNOFHR-MDZDMXLPSA-N -1 3 324.380 3.761 20 0 DHADHM CC(C)[C@H]1C[C@](NCc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC000556322600 331664188 /nfs/dbraw/zinc/66/41/88/331664188.db2.gz SYNXDKHFQSXAHP-YLJYHZDGSA-N -1 3 309.409 3.900 20 0 DHADHM Cc1cccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557181005 331774885 /nfs/dbraw/zinc/77/48/85/331774885.db2.gz KSSOTWVJKGOGPH-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2ccccc2)no1 ZINC000557183548 331775387 /nfs/dbraw/zinc/77/53/87/331775387.db2.gz JAIZDZAPFPTBLT-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031225016 331868537 /nfs/dbraw/zinc/86/85/37/331868537.db2.gz SQLBEWCVGYLLIE-UHFFFAOYSA-N -1 3 318.279 3.727 20 0 DHADHM CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000559160351 331984042 /nfs/dbraw/zinc/98/40/42/331984042.db2.gz XXTHJQHNFRDJHH-INIZCTEOSA-N -1 3 319.426 3.843 20 0 DHADHM CSCc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000518336740 332015456 /nfs/dbraw/zinc/01/54/56/332015456.db2.gz LBGQPOQSKFYGMI-UHFFFAOYSA-N -1 3 324.409 3.587 20 0 DHADHM CSCc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000518336740 332015457 /nfs/dbraw/zinc/01/54/57/332015457.db2.gz LBGQPOQSKFYGMI-UHFFFAOYSA-N -1 3 324.409 3.587 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)nc1 ZINC000087066631 332027550 /nfs/dbraw/zinc/02/75/50/332027550.db2.gz HAUDUSWHBTUYIP-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1ccc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)nc1 ZINC000087066631 332027551 /nfs/dbraw/zinc/02/75/51/332027551.db2.gz HAUDUSWHBTUYIP-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM C[C@@H](CC1CCCCC1)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000518449178 332047735 /nfs/dbraw/zinc/04/77/35/332047735.db2.gz GHCKMAZWGWCKBC-ZDUSSCGKSA-N -1 3 312.417 3.560 20 0 DHADHM COc1cc(C)cc(C(=O)N(CC2CC2)c2ccccc2)c1[O-] ZINC000092426553 332130092 /nfs/dbraw/zinc/13/00/92/332130092.db2.gz FSLBZZQJQAZYPN-UHFFFAOYSA-N -1 3 311.381 3.766 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)c1 ZINC000096659344 332138383 /nfs/dbraw/zinc/13/83/83/332138383.db2.gz YXDIMKPXDUQBLC-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM Cc1cc(C(F)(F)F)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426789874 332153468 /nfs/dbraw/zinc/15/34/68/332153468.db2.gz YEOSCQSHEQLLPA-OAHLLOKOSA-N -1 3 323.314 3.929 20 0 DHADHM CCc1ccc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000426793098 332154157 /nfs/dbraw/zinc/15/41/57/332154157.db2.gz LZZZGWGHDRWFHM-MRXNPFEDSA-N -1 3 303.789 3.818 20 0 DHADHM Cc1cc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])ccc1Cl ZINC000426826694 332155668 /nfs/dbraw/zinc/15/56/68/332155668.db2.gz UHJOHUQCSOYXJC-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CC(C)(C)C[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000426827142 332155804 /nfs/dbraw/zinc/15/58/04/332155804.db2.gz HQNADDGBALOJSB-LLVKDONJSA-N -1 3 324.471 3.851 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(F)c(C)c2)C(=O)[O-])cc1 ZINC000426811735 332157066 /nfs/dbraw/zinc/15/70/66/332157066.db2.gz NYVQGLXJJOKGBY-QGZVFWFLSA-N -1 3 301.361 3.612 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426824434 332158024 /nfs/dbraw/zinc/15/80/24/332158024.db2.gz HWGDXQDSSGNFJN-MRXNPFEDSA-N -1 3 321.779 3.957 20 0 DHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2s1 ZINC000427135553 332168435 /nfs/dbraw/zinc/16/84/35/332168435.db2.gz JRDIWHVJXHFPIR-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM CC(C)C1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000427138601 332169362 /nfs/dbraw/zinc/16/93/62/332169362.db2.gz ZBTBODBUVYOFQV-UHFFFAOYSA-N -1 3 323.849 3.958 20 0 DHADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000427218666 332184625 /nfs/dbraw/zinc/18/46/25/332184625.db2.gz MNYUKNUVDBHYSW-AWEZNQCLSA-N -1 3 323.314 3.543 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C1CC1 ZINC000427247020 332187841 /nfs/dbraw/zinc/18/78/41/332187841.db2.gz WLOWAMJVHDYELN-ZDUSSCGKSA-N -1 3 313.319 3.672 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000215688129 332196254 /nfs/dbraw/zinc/19/62/54/332196254.db2.gz NRBORIUVWJCPBN-LLVKDONJSA-N -1 3 311.337 3.638 20 0 DHADHM CCCn1c(=O)[n-]nc1SCCCSCc1ccccc1 ZINC000560187762 332317849 /nfs/dbraw/zinc/31/78/49/332317849.db2.gz OAHIXYPANORIQP-UHFFFAOYSA-N -1 3 323.487 3.809 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1[O-] ZINC000560551135 332358002 /nfs/dbraw/zinc/35/80/02/332358002.db2.gz SDHZFIZAZUZGPR-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1cccc([O-])c1F ZINC000560613527 332368418 /nfs/dbraw/zinc/36/84/18/332368418.db2.gz IBTVEZZHUZEJQZ-LBPRGKRZSA-N -1 3 312.344 3.761 20 0 DHADHM CCc1csc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000560659705 332374788 /nfs/dbraw/zinc/37/47/88/332374788.db2.gz RIWOBBGLFGZLHL-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM CC(=O)c1c(C)cc(C)c(CN2CCC[C@](C)(C(=O)[O-])C2)c1C ZINC000583386094 332379081 /nfs/dbraw/zinc/37/90/81/332379081.db2.gz GQBSKZGYMNPLHA-IBGZPJMESA-N -1 3 317.429 3.501 20 0 DHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000561302210 332435389 /nfs/dbraw/zinc/43/53/89/332435389.db2.gz ZUZRTINOMPGIBD-UKRRQHHQSA-N -1 3 312.413 3.617 20 0 DHADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000151341196 332572488 /nfs/dbraw/zinc/57/24/88/332572488.db2.gz RRABNVPLCGVOIN-UHFFFAOYSA-N -1 3 308.378 3.747 20 0 DHADHM CCc1cnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000525721897 333002320 /nfs/dbraw/zinc/00/23/20/333002320.db2.gz ISROBIJSYLPSHF-UHFFFAOYSA-N -1 3 317.345 3.752 20 0 DHADHM Cc1ccc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000580201900 333003674 /nfs/dbraw/zinc/00/36/74/333003674.db2.gz JZGUZZBQKVPDRH-KRWDZBQOSA-N -1 3 317.816 3.776 20 0 DHADHM CCOc1cc(-c2nc3ccc(C)nc3[nH]2)cc(Cl)c1[O-] ZINC000178980613 333023089 /nfs/dbraw/zinc/02/30/89/333023089.db2.gz VMOWWAJDFIDPLU-UHFFFAOYSA-N -1 3 303.749 3.691 20 0 DHADHM CC(C)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000179538574 333025411 /nfs/dbraw/zinc/02/54/11/333025411.db2.gz SJUDPIPKQVSESS-UHFFFAOYSA-N -1 3 309.409 3.996 20 0 DHADHM O=C(Nc1ccc2n[nH]cc2c1)c1cc([O-])ccc1C(F)(F)F ZINC000188979993 333060072 /nfs/dbraw/zinc/06/00/72/333060072.db2.gz VZLODUVZVCNPOV-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000314246016 333095965 /nfs/dbraw/zinc/09/59/65/333095965.db2.gz WWTCIJJKFYEUIQ-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)[C@H](c3ccccc3)C(C)C)[n-]2)o1 ZINC000497742544 333286060 /nfs/dbraw/zinc/28/60/60/333286060.db2.gz MLRPDHMWUOZEDZ-HNNXBMFYSA-N -1 3 324.384 3.751 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](c3ccccc3)C(C)C)n2)o1 ZINC000497742544 333286062 /nfs/dbraw/zinc/28/60/62/333286062.db2.gz MLRPDHMWUOZEDZ-HNNXBMFYSA-N -1 3 324.384 3.751 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@H](c3ccccc3)C(C)C)n[n-]2)o1 ZINC000497742544 333286064 /nfs/dbraw/zinc/28/60/64/333286064.db2.gz MLRPDHMWUOZEDZ-HNNXBMFYSA-N -1 3 324.384 3.751 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(Br)s3)n2)cc1 ZINC000020432776 333310998 /nfs/dbraw/zinc/31/09/98/333310998.db2.gz KWIAKGBYXAUYLF-UHFFFAOYSA-N -1 3 323.171 3.933 20 0 DHADHM CC(C)C(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184138307 333342444 /nfs/dbraw/zinc/34/24/44/333342444.db2.gz PGRUWUWPJWKTLK-UHFFFAOYSA-N -1 3 302.349 3.738 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000531430433 333351641 /nfs/dbraw/zinc/35/16/41/333351641.db2.gz XNOJQTAUFQTNFE-UHFFFAOYSA-N -1 3 319.470 3.847 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1ccccc1Br ZINC000426643278 333511257 /nfs/dbraw/zinc/51/12/57/333511257.db2.gz OALBDOQRAKCLDD-LLVKDONJSA-N -1 3 314.223 3.572 20 0 DHADHM C[C@H]1CC[C@](CNCc2cc(Cl)ccc2F)(CC(=O)[O-])C1 ZINC000426636597 333511836 /nfs/dbraw/zinc/51/18/36/333511836.db2.gz HIFLDRWYCUZYDT-MEDUHNTESA-N -1 3 313.800 3.850 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC000124087409 333535379 /nfs/dbraw/zinc/53/53/79/333535379.db2.gz KXBFZEKGIDUHQU-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCSc2ccccc21 ZINC000534208966 333568436 /nfs/dbraw/zinc/56/84/36/333568436.db2.gz CXVPDEZDWUVDDO-NSHDSACASA-N -1 3 303.358 3.749 20 0 DHADHM CC(C)(CC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000412171583 333735752 /nfs/dbraw/zinc/73/57/52/333735752.db2.gz UMBLYQIVQVKAPK-UHFFFAOYSA-N -1 3 322.149 3.775 20 0 DHADHM CC1(C)C[C@H](C(=O)Nc2cc(F)ccc2[O-])c2ccccc2O1 ZINC000412154366 333733549 /nfs/dbraw/zinc/73/35/49/333733549.db2.gz CHVRAUPWJYRCBY-ZDUSSCGKSA-N -1 3 315.344 3.815 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCC[C@H]2F)c1Br ZINC000414510100 334002464 /nfs/dbraw/zinc/00/24/64/334002464.db2.gz HCSZMDUTSTVDFK-GHMZBOCLSA-N -1 3 302.187 3.525 20 0 DHADHM COc1ccc(SCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436887420 334014941 /nfs/dbraw/zinc/01/49/41/334014941.db2.gz JQPGOLVEPOBBKP-UHFFFAOYSA-N -1 3 314.366 3.743 20 0 DHADHM COc1cc(-c2ccccc2)ccc1CN(C)CCCC(=O)[O-] ZINC000414640137 334050632 /nfs/dbraw/zinc/05/06/32/334050632.db2.gz RINAQULPLNNSOV-UHFFFAOYSA-N -1 3 313.397 3.659 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c([O-])c1C ZINC000274322530 334059688 /nfs/dbraw/zinc/05/96/88/334059688.db2.gz BCLZSSBOGUDVAO-CYBMUJFWSA-N -1 3 321.376 3.730 20 0 DHADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccncc2)cc1F ZINC000414672656 334064986 /nfs/dbraw/zinc/06/49/86/334064986.db2.gz CCVTYCOQHZZWBR-ZDUSSCGKSA-N -1 3 316.376 3.573 20 0 DHADHM CC(C)c1nc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)no1 ZINC000295064509 334216493 /nfs/dbraw/zinc/21/64/93/334216493.db2.gz AFYALWKTVMEXQI-LBPRGKRZSA-N -1 3 323.343 3.514 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCCC2(CC2)C1 ZINC000295072466 334217133 /nfs/dbraw/zinc/21/71/33/334217133.db2.gz WQCFCISMNNMYRW-UHFFFAOYSA-N -1 3 309.409 3.881 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000296082835 334229728 /nfs/dbraw/zinc/22/97/28/334229728.db2.gz LNAOUTPAHXDCHT-IUCAKERBSA-N -1 3 321.726 3.849 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000296082838 334229732 /nfs/dbraw/zinc/22/97/32/334229732.db2.gz LNAOUTPAHXDCHT-RKDXNWHRSA-N -1 3 321.726 3.849 20 0 DHADHM Cc1c(F)cccc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000187845024 334274596 /nfs/dbraw/zinc/27/45/96/334274596.db2.gz BGVOKIVJWMEHBP-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM Cc1c(F)cccc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000187845024 334274598 /nfs/dbraw/zinc/27/45/98/334274598.db2.gz BGVOKIVJWMEHBP-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 ZINC000532015033 334375106 /nfs/dbraw/zinc/37/51/06/334375106.db2.gz UNVLCSVWHPRLNT-OAHLLOKOSA-N -1 3 317.429 3.976 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(C(F)F)cc1 ZINC000340830017 334388422 /nfs/dbraw/zinc/38/84/22/334388422.db2.gz ROJBSAMHGMTHPZ-UHFFFAOYSA-N -1 3 319.279 3.703 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)CNc2cccc(F)c2)c1[O-] ZINC000535419711 334730931 /nfs/dbraw/zinc/73/09/31/334730931.db2.gz JKKQYQGDIDNETJ-UHFFFAOYSA-N -1 3 308.740 3.544 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n(C)n1 ZINC000330415016 334780098 /nfs/dbraw/zinc/78/00/98/334780098.db2.gz WMWDVLUKUKVYRJ-UHFFFAOYSA-N -1 3 315.417 3.799 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)cc1[O-] ZINC000331360265 334858534 /nfs/dbraw/zinc/85/85/34/334858534.db2.gz XPENHZUMQSZGSD-CQSZACIVSA-N -1 3 303.402 3.636 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)c([O-])c1 ZINC000189065277 334881689 /nfs/dbraw/zinc/88/16/89/334881689.db2.gz QABRBXCBAWAMMS-CYBMUJFWSA-N -1 3 313.397 3.796 20 0 DHADHM O=c1[nH]c(-c2ccc([O-])cc2Cl)nc2ccc(Cl)cc12 ZINC000190097899 334923193 /nfs/dbraw/zinc/92/31/93/334923193.db2.gz OFSJYOBVOYWNKM-UHFFFAOYSA-N -1 3 307.136 3.603 20 0 DHADHM Cc1ccc(NC(=O)CCc2ccc3ccccc3n2)c([O-])c1 ZINC000343753777 335190798 /nfs/dbraw/zinc/19/07/98/335190798.db2.gz KVMWTWASOFDUSZ-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc2nccnc2n1 ZINC000343791988 335193321 /nfs/dbraw/zinc/19/33/21/335193321.db2.gz UUXUXSZMGQNFAP-UHFFFAOYSA-N -1 3 324.409 3.778 20 0 DHADHM Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000343857282 335198041 /nfs/dbraw/zinc/19/80/41/335198041.db2.gz MPMROOODSIHLHK-UHFFFAOYSA-N -1 3 324.355 3.626 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1c(C)noc1C ZINC000343900877 335204391 /nfs/dbraw/zinc/20/43/91/335204391.db2.gz UHYOGCDARUSCHY-CYBMUJFWSA-N -1 3 308.765 3.532 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cc(C)ccc2F)c([O-])c1 ZINC000444449339 338473004 /nfs/dbraw/zinc/47/30/04/338473004.db2.gz YDGMUBRXLXLBBU-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM CC[C@]1(C)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000344221299 335229763 /nfs/dbraw/zinc/22/97/63/335229763.db2.gz PMBXSGYABCTBPY-GOSISDBHSA-N -1 3 311.385 3.704 20 0 DHADHM CSc1cccc(F)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000344310402 335239691 /nfs/dbraw/zinc/23/96/91/335239691.db2.gz TYJCGYRKGMZDRE-UHFFFAOYSA-N -1 3 311.407 3.775 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccccc2Cl)n1 ZINC000344374742 335248161 /nfs/dbraw/zinc/24/81/61/335248161.db2.gz XEHRPRCPAPHHTG-HNNXBMFYSA-N -1 3 317.820 3.735 20 0 DHADHM O=C(Nc1ccc(-c2ncco2)cc1)c1cc([O-])ccc1Cl ZINC000344579362 335259699 /nfs/dbraw/zinc/25/96/99/335259699.db2.gz KLCDYEWSTRSMQI-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000344994862 335289996 /nfs/dbraw/zinc/28/99/96/335289996.db2.gz XHDPMDIFTLCLQZ-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM CC(C)N(C)c1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000345057519 335296128 /nfs/dbraw/zinc/29/61/28/335296128.db2.gz KNQDELIXTQOXGW-UHFFFAOYSA-N -1 3 324.384 3.767 20 0 DHADHM CC(C)N(C)c1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000345057519 335296130 /nfs/dbraw/zinc/29/61/30/335296130.db2.gz KNQDELIXTQOXGW-UHFFFAOYSA-N -1 3 324.384 3.767 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)COC3)c2c([O-])cccc21 ZINC000345165382 335308305 /nfs/dbraw/zinc/30/83/05/335308305.db2.gz SDXCZZQPYIUQNH-LBPRGKRZSA-N -1 3 309.365 3.576 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cnc(-c3ccsc3)s2)n1 ZINC000345925747 335361204 /nfs/dbraw/zinc/36/12/04/335361204.db2.gz KZKWSEXYEXDGIT-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000345928329 335361557 /nfs/dbraw/zinc/36/15/57/335361557.db2.gz NQBTWMZGGWWRCK-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2CCC(F)(F)F)n1 ZINC000345936505 335362191 /nfs/dbraw/zinc/36/21/91/335362191.db2.gz VRKDGGYZKBKANT-UHFFFAOYSA-N -1 3 324.302 3.843 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)nc2C)n1 ZINC000345977831 335367184 /nfs/dbraw/zinc/36/71/84/335367184.db2.gz IDVZPIBPRSNUIJ-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000346150921 335382230 /nfs/dbraw/zinc/38/22/30/335382230.db2.gz NZNURIHDWNFLDZ-MRXNPFEDSA-N -1 3 301.773 3.805 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3F)n[n-]2)o1 ZINC000346224856 335385849 /nfs/dbraw/zinc/38/58/49/335385849.db2.gz RRHPEZHGTLSALQ-UHFFFAOYSA-N -1 3 303.268 3.509 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3F)[n-]n2)o1 ZINC000346224856 335385851 /nfs/dbraw/zinc/38/58/51/335385851.db2.gz RRHPEZHGTLSALQ-UHFFFAOYSA-N -1 3 303.268 3.509 20 0 DHADHM CSC[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000347311468 335489258 /nfs/dbraw/zinc/48/92/58/335489258.db2.gz DPNCACMTOYVMQA-ZDUSSCGKSA-N -1 3 315.438 3.761 20 0 DHADHM COc1cc(C(=O)[N-]c2cccc(C(F)F)c2Cl)on1 ZINC000348129821 335555209 /nfs/dbraw/zinc/55/52/09/335555209.db2.gz IUIAOOWMEWLEAJ-UHFFFAOYSA-N -1 3 302.664 3.527 20 0 DHADHM COc1ncccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000326902778 335651323 /nfs/dbraw/zinc/65/13/23/335651323.db2.gz LSTKSPZXQOGWNV-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)CC2(CCCC2)O1 ZINC000349261928 335658047 /nfs/dbraw/zinc/65/80/47/335658047.db2.gz QYGANNKXBHNNTL-UHFFFAOYSA-N -1 3 323.820 3.609 20 0 DHADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c([O-])c1 ZINC000113413881 335737187 /nfs/dbraw/zinc/73/71/87/335737187.db2.gz HJFPQYGXHOCZTQ-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM CCN(C(=O)c1[n-]nc2c1cccc2OC)c1ccccc1C ZINC000582216510 336004462 /nfs/dbraw/zinc/00/44/62/336004462.db2.gz CBMCYMOJPOENNU-UHFFFAOYSA-N -1 3 309.369 3.547 20 0 DHADHM CCN(C(=O)c1n[n-]c2c1cccc2OC)c1ccccc1C ZINC000582216510 336004464 /nfs/dbraw/zinc/00/44/64/336004464.db2.gz CBMCYMOJPOENNU-UHFFFAOYSA-N -1 3 309.369 3.547 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1ncc(F)cc1F ZINC000192032964 336016485 /nfs/dbraw/zinc/01/64/85/336016485.db2.gz WHQWXGXFTCFWRB-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CN(CCCC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000351350226 336029539 /nfs/dbraw/zinc/02/95/39/336029539.db2.gz JHAWZMRQIPNELX-UHFFFAOYSA-N -1 3 313.825 3.599 20 0 DHADHM Cc1ncc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)o1 ZINC000192538709 336074283 /nfs/dbraw/zinc/07/42/83/336074283.db2.gz KOUYHRMRQYIRQE-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2csc3ccccc23)n1 ZINC000192541325 336074543 /nfs/dbraw/zinc/07/45/43/336074543.db2.gz NUDNXVWXYBLJLS-GFCCVEGCSA-N -1 3 313.426 3.898 20 0 DHADHM Cc1nc(-c2cccc(NCc3c(F)ccc([O-])c3F)c2)no1 ZINC000351876480 336075761 /nfs/dbraw/zinc/07/57/61/336075761.db2.gz OKTKEOAGLVORGX-UHFFFAOYSA-N -1 3 317.295 3.641 20 0 DHADHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000331366143 336133743 /nfs/dbraw/zinc/13/37/43/336133743.db2.gz CXELLOYKGNCVCQ-CRAIPNDOSA-N -1 3 311.381 3.807 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000332113793 336159076 /nfs/dbraw/zinc/15/90/76/336159076.db2.gz ANJFGLMCOFAPGO-KRWDZBQOSA-N -1 3 311.381 3.632 20 0 DHADHM COC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCCC1 ZINC000332457627 336172007 /nfs/dbraw/zinc/17/20/07/336172007.db2.gz ODNMZVJBDGZJQT-UHFFFAOYSA-N -1 3 313.397 3.625 20 0 DHADHM COc1cccc([C@@H]2CCCN2Cc2cc([O-])cc(F)c2)c1 ZINC000352022440 336189795 /nfs/dbraw/zinc/18/97/95/336189795.db2.gz OTTMZWHLTDPWGB-SFHVURJKSA-N -1 3 301.361 3.877 20 0 DHADHM COc1cc(NCc2nc(C)ccc2[O-])cc(OC)c1C(C)C ZINC000352121670 336195592 /nfs/dbraw/zinc/19/55/92/336195592.db2.gz SZYFHGCCLHHDMR-UHFFFAOYSA-N -1 3 316.401 3.848 20 0 DHADHM Cc1noc(C2CC2)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000333035923 336197122 /nfs/dbraw/zinc/19/71/22/336197122.db2.gz IOCNCGSFMJHVOX-UHFFFAOYSA-N -1 3 312.369 3.697 20 0 DHADHM C[C@H]1CCc2c(sc3[n-]c(-c4ccsn4)nc(=O)c23)C1 ZINC000333150743 336198636 /nfs/dbraw/zinc/19/86/36/336198636.db2.gz KNXDMHLIURVFKI-ZETCQYMHSA-N -1 3 303.412 3.645 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(Cc2ccc(F)cc2)CC1 ZINC000526119232 336204789 /nfs/dbraw/zinc/20/47/89/336204789.db2.gz WZNACXQZXHPKMG-UHFFFAOYSA-N -1 3 303.308 3.632 20 0 DHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000532445973 336247795 /nfs/dbraw/zinc/24/77/95/336247795.db2.gz VYQGNFCGDMTGGY-CQSZACIVSA-N -1 3 324.384 3.581 20 0 DHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000532445973 336247796 /nfs/dbraw/zinc/24/77/96/336247796.db2.gz VYQGNFCGDMTGGY-CQSZACIVSA-N -1 3 324.384 3.581 20 0 DHADHM CC[C@H](Cc1ccccc1)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000532445973 336247797 /nfs/dbraw/zinc/24/77/97/336247797.db2.gz VYQGNFCGDMTGGY-CQSZACIVSA-N -1 3 324.384 3.581 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(Br)c(F)c2)c([O-])c1 ZINC000043577441 336266902 /nfs/dbraw/zinc/26/69/02/336266902.db2.gz OVIUAODQGQWXDM-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000532838633 336272708 /nfs/dbraw/zinc/27/27/08/336272708.db2.gz ZDSOSNROBCRGQB-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM CCc1nc(CNCc2cc([O-])cc(C(F)(F)F)c2)cs1 ZINC000352844783 336276327 /nfs/dbraw/zinc/27/63/27/336276327.db2.gz GNNWXUDBDQKOHZ-UHFFFAOYSA-N -1 3 316.348 3.720 20 0 DHADHM CC(C)CCc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000527067509 336281884 /nfs/dbraw/zinc/28/18/84/336281884.db2.gz DEFOFKQZONUEBI-UHFFFAOYSA-N -1 3 313.401 3.698 20 0 DHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192956400 336285989 /nfs/dbraw/zinc/28/59/89/336285989.db2.gz DRTLOVJYYSYQEA-CYBMUJFWSA-N -1 3 311.381 3.539 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCCCCC3)nc2)n1 ZINC000301179096 336293620 /nfs/dbraw/zinc/29/36/20/336293620.db2.gz NUPFSLTXAOEKJW-UHFFFAOYSA-N -1 3 312.417 3.941 20 0 DHADHM Clc1cc(Cl)cc(-c2nc(Sc3ncccn3)n[n-]2)c1 ZINC000301465617 336308600 /nfs/dbraw/zinc/30/86/00/336308600.db2.gz PXKRFSXZDCLNED-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM CO[C@@H](C)[C@H](C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000302610316 336362552 /nfs/dbraw/zinc/36/25/52/336362552.db2.gz BMDXDUISMARQGI-YUMQZZPRSA-N -1 3 316.188 3.879 20 0 DHADHM COc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1[O-] ZINC000352996581 336381425 /nfs/dbraw/zinc/38/14/25/336381425.db2.gz HWWAZKNYFXYBLA-SFHVURJKSA-N -1 3 323.392 3.768 20 0 DHADHM COc1ccc2nc(NC(=O)c3ccc([O-])c(C)c3)sc2c1 ZINC000389422409 336385228 /nfs/dbraw/zinc/38/52/28/336385228.db2.gz VUGUIYUCHDNYTE-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1ccc(-n2cccn2)cc1NCc1c(F)ccc([O-])c1F ZINC000353156827 336405053 /nfs/dbraw/zinc/40/50/53/336405053.db2.gz SERFMZJQRPHKRE-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccn1C ZINC000355030993 336492451 /nfs/dbraw/zinc/49/24/51/336492451.db2.gz FOAHCTJDWBCYOA-UHFFFAOYSA-N -1 3 312.291 3.564 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000355106208 336494753 /nfs/dbraw/zinc/49/47/53/336494753.db2.gz WOCKCSPPZKPUAS-UHFFFAOYSA-N -1 3 304.777 3.872 20 0 DHADHM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc([O-])c1 ZINC000357211271 336577046 /nfs/dbraw/zinc/57/70/46/336577046.db2.gz ZYVXCRCHMNCHEA-AWEZNQCLSA-N -1 3 309.287 3.816 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000357296440 336579634 /nfs/dbraw/zinc/57/96/34/336579634.db2.gz CSDYTNXJTRFGFA-NRFANRHFSA-N -1 3 321.420 3.903 20 0 DHADHM COc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1[O-] ZINC000357598819 336592059 /nfs/dbraw/zinc/59/20/59/336592059.db2.gz LXZCLMRUBGYWIC-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM CCCN(C(=O)c1cccc([O-])c1)[C@H]1CCCc2cccnc21 ZINC000358938775 336648420 /nfs/dbraw/zinc/64/84/20/336648420.db2.gz SBFSPEDFDWXVNN-KRWDZBQOSA-N -1 3 310.397 3.717 20 0 DHADHM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ncccc1[O-] ZINC000359184597 336661908 /nfs/dbraw/zinc/66/19/08/336661908.db2.gz ALZJWOVPEMJGMU-CQSZACIVSA-N -1 3 321.380 3.645 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c(=O)c2c1 ZINC000361484997 336758663 /nfs/dbraw/zinc/75/86/63/336758663.db2.gz LQWNAXDCLPPZKQ-WMLDXEAASA-N -1 3 324.424 3.550 20 0 DHADHM COc1cccc(F)c1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000361924918 336778398 /nfs/dbraw/zinc/77/83/98/336778398.db2.gz HTGUSBAZXRTAIH-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ncc(C)cc1OC ZINC000362184235 336787244 /nfs/dbraw/zinc/78/72/44/336787244.db2.gz SBLGZGAPKAAHPD-UHFFFAOYSA-N -1 3 320.389 3.902 20 0 DHADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(C)c2[O-])n1 ZINC000367542225 336824664 /nfs/dbraw/zinc/82/46/64/336824664.db2.gz NEXNEZCAAGFVEU-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000368256822 336841277 /nfs/dbraw/zinc/84/12/77/336841277.db2.gz BQZUVRKMYCMBHN-WOJBJXKFSA-N -1 3 321.420 3.843 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)ccc1[O-] ZINC000368692511 336850972 /nfs/dbraw/zinc/85/09/72/336850972.db2.gz NWFRPRXOLRIDCC-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM O=C(N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000369092306 336858456 /nfs/dbraw/zinc/85/84/56/336858456.db2.gz BCFNRXDIDOBZTI-VXGBXAGGSA-N -1 3 322.817 3.568 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3C=CCCC3)c2)n1 ZINC000370437608 336884964 /nfs/dbraw/zinc/88/49/64/336884964.db2.gz YGHNLURKNBMQAQ-AWEZNQCLSA-N -1 3 323.396 3.843 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)s1 ZINC000371563661 336908194 /nfs/dbraw/zinc/90/81/94/336908194.db2.gz PAAJNTRZIBOKQW-ZKKXHLJNSA-N -1 3 314.410 3.534 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3cnccn3)ccc2C)c([O-])c1 ZINC000373620626 336966951 /nfs/dbraw/zinc/96/69/51/336966951.db2.gz BZXRTBWZLVMLNG-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1ccc([C@H]2CCCN2[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000375759134 337018839 /nfs/dbraw/zinc/01/88/39/337018839.db2.gz WSKIVDNRDKMIGP-QWHCGFSZSA-N -1 3 303.431 3.759 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000376047371 337025832 /nfs/dbraw/zinc/02/58/32/337025832.db2.gz ULFZJRJQKCGIHV-ZDUSSCGKSA-N -1 3 322.817 3.870 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000376688414 337039622 /nfs/dbraw/zinc/03/96/22/337039622.db2.gz JZJSMCKCWNNSRE-UHFFFAOYSA-N -1 3 322.817 3.522 20 0 DHADHM CCCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000123210836 337040806 /nfs/dbraw/zinc/04/08/06/337040806.db2.gz FDIIUXWLHJDCPS-UHFFFAOYSA-N -1 3 322.364 3.569 20 0 DHADHM CCCOc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000123210836 337040807 /nfs/dbraw/zinc/04/08/07/337040807.db2.gz FDIIUXWLHJDCPS-UHFFFAOYSA-N -1 3 322.364 3.569 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([O-])c1 ZINC000175465618 337147580 /nfs/dbraw/zinc/14/75/80/337147580.db2.gz LLQNQIQIKFZQPI-SWLSCSKDSA-N -1 3 315.369 3.607 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2nc3ccccc3s2)n1 ZINC000177971099 337159450 /nfs/dbraw/zinc/15/94/50/337159450.db2.gz UGCCOMDYGGUDOU-UHFFFAOYSA-N -1 3 317.439 3.788 20 0 DHADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nc4ccccn4n3)s2)o1 ZINC000181770522 337184630 /nfs/dbraw/zinc/18/46/30/337184630.db2.gz FSFFVNDYKKWUFX-UHFFFAOYSA-N -1 3 324.365 3.612 20 0 DHADHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc([O-])c1 ZINC000182127816 337186664 /nfs/dbraw/zinc/18/66/64/337186664.db2.gz YVYBXJNXZGODQQ-UHFFFAOYSA-N -1 3 309.287 3.683 20 0 DHADHM COc1ccsc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182153574 337186877 /nfs/dbraw/zinc/18/68/77/337186877.db2.gz RNOQOHJJGKPJGU-UHFFFAOYSA-N -1 3 323.424 3.589 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1C ZINC000182228625 337187527 /nfs/dbraw/zinc/18/75/27/337187527.db2.gz CCVYQUYOUQBRHJ-UHFFFAOYSA-N -1 3 312.369 3.692 20 0 DHADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc([O-])c1 ZINC000182235624 337187659 /nfs/dbraw/zinc/18/76/59/337187659.db2.gz ZTOFCPFHFVFZOF-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc(F)c(F)cc1F ZINC000182385399 337188114 /nfs/dbraw/zinc/18/81/14/337188114.db2.gz PIHKRPIQUZBPHY-UHFFFAOYSA-N -1 3 315.678 3.644 20 0 DHADHM O=C(c1cc(F)cc2cccnc21)N1CCCc2cccc([O-])c21 ZINC000182950143 337190781 /nfs/dbraw/zinc/19/07/81/337190781.db2.gz AUEFIRCVVRLQIC-UHFFFAOYSA-N -1 3 322.339 3.673 20 0 DHADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cccc([O-])c1 ZINC000182959810 337190858 /nfs/dbraw/zinc/19/08/58/337190858.db2.gz FLTKAGSHWJIYPP-UHFFFAOYSA-N -1 3 319.763 3.646 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000183241249 337192433 /nfs/dbraw/zinc/19/24/33/337192433.db2.gz CPFZWZKCMHMMJU-VHSXEESVSA-N -1 3 307.271 3.552 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000183267197 337192603 /nfs/dbraw/zinc/19/26/03/337192603.db2.gz JVXOKIVVNAJGCP-VXGBXAGGSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1oc(-c2cccs2)nc1C[S@@](=O)c1cccc([O-])c1 ZINC000184046842 337196929 /nfs/dbraw/zinc/19/69/29/337196929.db2.gz PMLCQLHIYLFJTF-OAQYLSRUSA-N -1 3 319.407 3.725 20 0 DHADHM Cc1c(C(=O)Nc2ncccc2[O-])sc2cccc(F)c12 ZINC000184344440 337198070 /nfs/dbraw/zinc/19/80/70/337198070.db2.gz BSESTNBLHGKLMT-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CSc2ccccc21 ZINC000582861636 337208951 /nfs/dbraw/zinc/20/89/51/337208951.db2.gz ALWGUNDZFDPYMA-JTQLQIEISA-N -1 3 305.786 3.874 20 0 DHADHM Cc1cc(Cl)cc(C)c1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000582915956 337217533 /nfs/dbraw/zinc/21/75/33/337217533.db2.gz JPNQVNCCJPCNSI-INIZCTEOSA-N -1 3 318.804 3.657 20 0 DHADHM O=C(Cc1cnc2ccccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000185879145 337252338 /nfs/dbraw/zinc/25/23/38/337252338.db2.gz LVXJFFIWNLCUCO-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccnc1C(F)(F)F ZINC000188427056 337273301 /nfs/dbraw/zinc/27/33/01/337273301.db2.gz IVPRQDNXENAVCU-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000189482474 337279398 /nfs/dbraw/zinc/27/93/98/337279398.db2.gz UYMUNUYTAPMSOM-QWRGUYRKSA-N -1 3 313.319 3.673 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000190153746 337285281 /nfs/dbraw/zinc/28/52/81/337285281.db2.gz ORQLVYWGPRFDNK-UHFFFAOYSA-N -1 3 324.837 3.661 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000192076285 337302304 /nfs/dbraw/zinc/30/23/04/337302304.db2.gz VMJXXBGRARVEQC-NSHDSACASA-N -1 3 320.352 3.504 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)[C@@H]1C(=O)[O-] ZINC000235666440 337326657 /nfs/dbraw/zinc/32/66/57/337326657.db2.gz WQQHTQXMDUIAQW-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM CC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000584474870 337346205 /nfs/dbraw/zinc/34/62/05/337346205.db2.gz LBQHZHMNSBGWMF-CYBMUJFWSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC3=CCCCC3)cc2)n1 ZINC000106633503 337387089 /nfs/dbraw/zinc/38/70/89/337387089.db2.gz JLDYXFPXYCBBEG-UHFFFAOYSA-N -1 3 323.396 3.574 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1ccccc1C(F)(F)F ZINC000322079450 337462703 /nfs/dbraw/zinc/46/27/03/337462703.db2.gz OTFSLBOIKXRRMK-UHFFFAOYSA-N -1 3 323.314 3.622 20 0 DHADHM Cc1ccc(C=CCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000571905290 337580281 /nfs/dbraw/zinc/58/02/81/337580281.db2.gz WCAPNRUGYOSJPY-IHWYPQMZSA-N -1 3 317.352 3.572 20 0 DHADHM Cc1ccccc1[C@@H](C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572069082 337588437 /nfs/dbraw/zinc/58/84/37/337588437.db2.gz VEQJARBPRXYGID-LBPRGKRZSA-N -1 3 319.368 3.663 20 0 DHADHM Cc1ccccc1[C@H](C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000572069081 337588480 /nfs/dbraw/zinc/58/84/80/337588480.db2.gz VEQJARBPRXYGID-GFCCVEGCSA-N -1 3 319.368 3.663 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1[O-] ZINC000079172732 337615628 /nfs/dbraw/zinc/61/56/28/337615628.db2.gz DLISFAPWAYIYIF-OAHLLOKOSA-N -1 3 315.344 3.517 20 0 DHADHM CCC(CC)(CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000263080372 337624110 /nfs/dbraw/zinc/62/41/10/337624110.db2.gz RORAMOWWDFRZCM-UHFFFAOYSA-N -1 3 304.217 3.974 20 0 DHADHM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000162584842 337642127 /nfs/dbraw/zinc/64/21/27/337642127.db2.gz HUGXNHORFPRDJL-LBPRGKRZSA-N -1 3 303.789 3.774 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CCCc3cccc([O-])c32)nc1 ZINC000421797838 337644228 /nfs/dbraw/zinc/64/42/28/337644228.db2.gz VTIAFJHIXVESEF-UHFFFAOYSA-N -1 3 310.397 3.678 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000421978023 337664340 /nfs/dbraw/zinc/66/43/40/337664340.db2.gz YHTGRPBOSYSJGZ-LBPRGKRZSA-N -1 3 315.335 3.759 20 0 DHADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000171013725 337671545 /nfs/dbraw/zinc/67/15/45/337671545.db2.gz HDVAOVUREIOQCO-AWEZNQCLSA-N -1 3 319.426 3.812 20 0 DHADHM CCOc1cc(-c2noc(-c3cscc3C)n2)ccc1[O-] ZINC000445425431 337726153 /nfs/dbraw/zinc/72/61/53/337726153.db2.gz CPLNHXCOVQFUPJ-UHFFFAOYSA-N -1 3 302.355 3.878 20 0 DHADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1c1cc(Cl)c(=O)[n-]n1 ZINC000528199436 337793351 /nfs/dbraw/zinc/79/33/51/337793351.db2.gz REQVIMMLUFLFFJ-LBPRGKRZSA-N -1 3 321.783 3.747 20 0 DHADHM COc1cccc(OC)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979175 337845450 /nfs/dbraw/zinc/84/54/50/337845450.db2.gz VEXSEPHRFYBHBM-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM COc1cc(OC)c(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC000121730124 337898459 /nfs/dbraw/zinc/89/84/59/337898459.db2.gz CDYKSEJWVPTLIX-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(Cl)c1Cl ZINC000424618466 337924359 /nfs/dbraw/zinc/92/43/59/337924359.db2.gz KAGWSFQPHLXJID-APPZFPTMSA-N -1 3 310.246 3.890 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1[O-] ZINC000537493829 337938258 /nfs/dbraw/zinc/93/82/58/337938258.db2.gz XYUXSRVCCNDFGO-UHFFFAOYSA-N -1 3 323.314 3.644 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nccn3C)c2)c1 ZINC000537640233 337954736 /nfs/dbraw/zinc/95/47/36/337954736.db2.gz LTSRVJBHTARKJD-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM CC(C)(CCCNCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426647711 338036878 /nfs/dbraw/zinc/03/68/78/338036878.db2.gz QBTIUUDPHHNPRD-UHFFFAOYSA-N -1 3 301.386 3.927 20 0 DHADHM O=C([O-])C[C@@H](CNCc1ccc(Cl)cc1F)c1ccccc1 ZINC000426645940 338036943 /nfs/dbraw/zinc/03/69/43/338036943.db2.gz GXUFZTUYUSHGRP-AWEZNQCLSA-N -1 3 321.779 3.827 20 0 DHADHM O=C([O-])C[C@@H](CNCc1cc(Cl)ccc1F)c1ccccc1 ZINC000426654935 338037110 /nfs/dbraw/zinc/03/71/10/338037110.db2.gz PFZFYJGZMWQYRZ-ZDUSSCGKSA-N -1 3 321.779 3.827 20 0 DHADHM Cc1ccc(-c2nc(CNC[C@H](C)CCC(=O)[O-])cs2)cc1 ZINC000426661803 338037353 /nfs/dbraw/zinc/03/73/53/338037353.db2.gz FQDJTGGOMVMLMM-CYBMUJFWSA-N -1 3 318.442 3.709 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(Cl)c(F)c1)c1ccsc1 ZINC000426671797 338037726 /nfs/dbraw/zinc/03/77/26/338037726.db2.gz OAYFJVXVJOVJEG-ZDUSSCGKSA-N -1 3 313.781 3.846 20 0 DHADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000426685323 338038042 /nfs/dbraw/zinc/03/80/42/338038042.db2.gz HAFUAOFHIOFCSS-UHFFFAOYSA-N -1 3 321.376 3.836 20 0 DHADHM O=C([O-])[C@@H](CNCc1ccccc1F)Cc1ccccc1Cl ZINC000426705766 338038587 /nfs/dbraw/zinc/03/85/87/338038587.db2.gz XQAOPURAEOSBQC-CQSZACIVSA-N -1 3 321.779 3.512 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000426715094 338039009 /nfs/dbraw/zinc/03/90/09/338039009.db2.gz GMVSNYUCBCNQEK-SUMWQHHRSA-N -1 3 308.381 3.720 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000426727270 338039472 /nfs/dbraw/zinc/03/94/72/338039472.db2.gz NZVFWTGTCFURSU-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM Cc1ccc(F)c(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000426735193 338039840 /nfs/dbraw/zinc/03/98/40/338039840.db2.gz SEUHTNCZFHFNHL-MRXNPFEDSA-N -1 3 321.779 3.573 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cccc3[nH]ccc32)C(=O)[O-])c1 ZINC000426742858 338040182 /nfs/dbraw/zinc/04/01/82/338040182.db2.gz LTGUYLZFDAPPKI-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc3cccnc32)C(=O)[O-])c1C ZINC000426742479 338040280 /nfs/dbraw/zinc/04/02/80/338040280.db2.gz PKPMQETVRYMDGD-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000426758133 338041007 /nfs/dbraw/zinc/04/10/07/338041007.db2.gz GYGUZRVUQPHTPI-WBMJQRKESA-N -1 3 303.789 3.892 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC)cc1 ZINC000431610153 338134755 /nfs/dbraw/zinc/13/47/55/338134755.db2.gz PVLCYECUOZQZAA-INIZCTEOSA-N -1 3 319.788 3.935 20 0 DHADHM C[C@H](Cc1ccccc1F)NC(=O)c1cc([O-])ccc1Cl ZINC000431760687 338138146 /nfs/dbraw/zinc/13/81/46/338138146.db2.gz LWUIWGDPRGWNSX-SNVBAGLBSA-N -1 3 307.752 3.546 20 0 DHADHM Cc1cc(N(C)C)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000431764161 338138335 /nfs/dbraw/zinc/13/83/35/338138335.db2.gz YUDYFZKIAYFYMF-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM O=C(NCCc1cc2ccccc2o1)c1cc([O-])ccc1Cl ZINC000431798967 338138928 /nfs/dbraw/zinc/13/89/28/338138928.db2.gz HGZSCHZSXOIHPX-UHFFFAOYSA-N -1 3 315.756 3.764 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1cccc(F)c1)C1CC1 ZINC000431861790 338140413 /nfs/dbraw/zinc/14/04/13/338140413.db2.gz ZFPLBJLHTRKYLP-UHFFFAOYSA-N -1 3 319.763 3.990 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)ccc1[O-] ZINC000432289888 338152284 /nfs/dbraw/zinc/15/22/84/338152284.db2.gz UATGCNDOTSPIFZ-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM COc1cc(C)ccc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000432550237 338158704 /nfs/dbraw/zinc/15/87/04/338158704.db2.gz RXALVOISOWJBEW-UHFFFAOYSA-N -1 3 322.324 3.704 20 0 DHADHM COc1cc(C)ccc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000432550237 338158705 /nfs/dbraw/zinc/15/87/05/338158705.db2.gz RXALVOISOWJBEW-UHFFFAOYSA-N -1 3 322.324 3.704 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433124018 338182477 /nfs/dbraw/zinc/18/24/77/338182477.db2.gz YZNAQJXPNVEDHN-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2cc(Cl)ccc2F)ccc1[O-] ZINC000434345105 338215060 /nfs/dbraw/zinc/21/50/60/338215060.db2.gz UTPHHQGHUZDAJH-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000434620752 338221305 /nfs/dbraw/zinc/22/13/05/338221305.db2.gz ZNTROGLHKNULFK-GOSISDBHSA-N -1 3 317.408 3.713 20 0 DHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000434635181 338222197 /nfs/dbraw/zinc/22/21/97/338222197.db2.gz FHIXRHIXKIBCPH-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CN(C)c1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435947601 338253905 /nfs/dbraw/zinc/25/39/05/338253905.db2.gz MXNZGMOSSFIMST-IZZDOVSWSA-N -1 3 307.353 3.679 20 0 DHADHM Cc1cc[nH]c1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000436152897 338259732 /nfs/dbraw/zinc/25/97/32/338259732.db2.gz KQYSFULDEARGNV-UHFFFAOYSA-N -1 3 306.365 3.872 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000436149433 338259752 /nfs/dbraw/zinc/25/97/52/338259752.db2.gz CVOGMXIKJGNZEK-OAHLLOKOSA-N -1 3 304.777 3.819 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC[C@@H]1C(F)F ZINC000436496592 338274289 /nfs/dbraw/zinc/27/42/89/338274289.db2.gz QSMKWZMUKIZBME-CQSZACIVSA-N -1 3 309.356 3.531 20 0 DHADHM CCCCN(C(=O)c1cc(OC)ccc1[O-])C1CCCCC1 ZINC000436530739 338275306 /nfs/dbraw/zinc/27/53/06/338275306.db2.gz FQKHLQIDPIXFTN-UHFFFAOYSA-N -1 3 305.418 3.976 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@H]1c1ccccc1 ZINC000436529567 338275371 /nfs/dbraw/zinc/27/53/71/338275371.db2.gz OSOSJLZVBUHRAR-GOSISDBHSA-N -1 3 307.393 3.858 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H]1c1ccccc1 ZINC000436529569 338275429 /nfs/dbraw/zinc/27/54/29/338275429.db2.gz OSOSJLZVBUHRAR-SFHVURJKSA-N -1 3 307.393 3.858 20 0 DHADHM Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436532539 338275566 /nfs/dbraw/zinc/27/55/66/338275566.db2.gz RWTADCXYFZTJFO-QGZVFWFLSA-N -1 3 309.409 3.938 20 0 DHADHM CCc1c(-c2nc(-c3ccc([O-])cc3)no2)cnn1CC(C)C ZINC000436535254 338275698 /nfs/dbraw/zinc/27/56/98/338275698.db2.gz YZSLSPKQZXCTJH-UHFFFAOYSA-N -1 3 312.373 3.524 20 0 DHADHM Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccc([O-])cc3)no1)C2 ZINC000436535245 338275754 /nfs/dbraw/zinc/27/57/54/338275754.db2.gz REKMINXUABYPFF-MRXNPFEDSA-N -1 3 308.337 3.735 20 0 DHADHM CCCOc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436536896 338276032 /nfs/dbraw/zinc/27/60/32/338276032.db2.gz WANFDXLOXOYDMJ-UHFFFAOYSA-N -1 3 310.353 3.822 20 0 DHADHM Cc1csc(C2(NC(=O)c3ccc(C)c(C)c3[O-])CCC2)n1 ZINC000436545513 338276238 /nfs/dbraw/zinc/27/62/38/338276238.db2.gz HGVBULBQZUBGGD-UHFFFAOYSA-N -1 3 316.426 3.583 20 0 DHADHM Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000436545413 338276328 /nfs/dbraw/zinc/27/63/28/338276328.db2.gz BJKSZIUHYTUFFT-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000436548579 338276496 /nfs/dbraw/zinc/27/64/96/338276496.db2.gz NFJUZHSTUDCGMV-CQSZACIVSA-N -1 3 307.459 3.702 20 0 DHADHM CC[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436552253 338276749 /nfs/dbraw/zinc/27/67/49/338276749.db2.gz VDHOQEUPYUPSLS-QGZVFWFLSA-N -1 3 309.409 3.998 20 0 DHADHM CCCN(CCc1cccc(F)c1)C(=O)c1cc(C)ccc1[O-] ZINC000436557694 338277093 /nfs/dbraw/zinc/27/70/93/338277093.db2.gz XRZNISRYKFIUPW-UHFFFAOYSA-N -1 3 315.388 3.935 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c([O-])c1C ZINC000436562734 338277179 /nfs/dbraw/zinc/27/71/79/338277179.db2.gz JYLBKGMRRSAVFB-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM COc1cccc(C2(c3nc(-c4ccc([O-])cc4)no3)CC2)c1 ZINC000436567380 338277481 /nfs/dbraw/zinc/27/74/81/338277481.db2.gz SJVZWLVJOAOPSR-UHFFFAOYSA-N -1 3 308.337 3.531 20 0 DHADHM Cc1cnc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436572583 338277739 /nfs/dbraw/zinc/27/77/39/338277739.db2.gz DVPOUUPABGEYKX-NSHDSACASA-N -1 3 304.415 3.772 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC000436572150 338277769 /nfs/dbraw/zinc/27/77/69/338277769.db2.gz DHSMLLPJYSQXFC-NVXWUHKLSA-N -1 3 309.409 3.794 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(F)cc2NC2CC2)c1[O-] ZINC000436582908 338278331 /nfs/dbraw/zinc/27/83/31/338278331.db2.gz JADIAQPKGXREHJ-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c([O-])c1C ZINC000436584066 338278379 /nfs/dbraw/zinc/27/83/79/338278379.db2.gz IPSUFQKBSKACNT-UHFFFAOYSA-N -1 3 314.360 3.975 20 0 DHADHM Cc1cccc(C(=O)N2CCN(CC3CC3)c3ccccc32)c1[O-] ZINC000436585264 338278477 /nfs/dbraw/zinc/27/84/77/338278477.db2.gz RWAHRZWNPANNBQ-UHFFFAOYSA-N -1 3 322.408 3.577 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cc(C)ccc2Cl)c1[O-] ZINC000436589900 338278711 /nfs/dbraw/zinc/27/87/11/338278711.db2.gz QMQOLCLLJXTYES-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000436591663 338279006 /nfs/dbraw/zinc/27/90/06/338279006.db2.gz XRZLHQAEEDBHFU-NEPJUHHUSA-N -1 3 315.335 3.799 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnn([C@H](C)CC)c2C)c1 ZINC000436598106 338279268 /nfs/dbraw/zinc/27/92/68/338279268.db2.gz YCCJAWCJZLSFHG-LLVKDONJSA-N -1 3 301.390 3.683 20 0 DHADHM Cc1[nH]nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1C ZINC000436610846 338279711 /nfs/dbraw/zinc/27/97/11/338279711.db2.gz NQDBFCBFXJONRJ-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3cnccn3)n2)c2ccccc12 ZINC000436617008 338280192 /nfs/dbraw/zinc/28/01/92/338280192.db2.gz JEUYKVCMJYBDSO-YVMONPNESA-N -1 3 316.320 3.556 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000436632549 338280586 /nfs/dbraw/zinc/28/05/86/338280586.db2.gz WUFWAMDPBOOXRB-INIZCTEOSA-N -1 3 311.381 3.517 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1cc(F)ccc1F ZINC000436635143 338280832 /nfs/dbraw/zinc/28/08/32/338280832.db2.gz KDIHDBHCTMKARR-CQSZACIVSA-N -1 3 321.323 3.560 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c([O-])c1 ZINC000436660408 338282034 /nfs/dbraw/zinc/28/20/34/338282034.db2.gz CKBQIVSHJFSRPM-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3ncco3)c2)cc1[O-] ZINC000436666940 338282195 /nfs/dbraw/zinc/28/21/95/338282195.db2.gz SBKKPLKJUAUHEQ-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436666208 338282254 /nfs/dbraw/zinc/28/22/54/338282254.db2.gz QBVHTEZDPGHCQP-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM C[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c2ccccc21 ZINC000436680940 338282585 /nfs/dbraw/zinc/28/25/85/338282585.db2.gz LGNWVWMEHQYTKF-GFCCVEGCSA-N -1 3 323.392 3.870 20 0 DHADHM CCSCc1ccnc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436690408 338282956 /nfs/dbraw/zinc/28/29/56/338282956.db2.gz VETRSINNPRLGBS-UHFFFAOYSA-N -1 3 302.399 3.601 20 0 DHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436695692 338283084 /nfs/dbraw/zinc/28/30/84/338283084.db2.gz FJRZLZLPKHFKPI-GDBMZVCRSA-N -1 3 307.459 3.749 20 0 DHADHM CCn1cnnc1NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436698770 338283342 /nfs/dbraw/zinc/28/33/42/338283342.db2.gz NJUGJJAQHXPGBO-UHFFFAOYSA-N -1 3 316.405 3.503 20 0 DHADHM CCCCCn1nc(C)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436700836 338283417 /nfs/dbraw/zinc/28/34/17/338283417.db2.gz XUJHFLWHLRKACI-UHFFFAOYSA-N -1 3 315.417 3.902 20 0 DHADHM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(O)cc1[O-] ZINC000436732146 338284675 /nfs/dbraw/zinc/28/46/75/338284675.db2.gz OZYOMEWNFAUQTA-CABCVRRESA-N -1 3 311.381 3.554 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCC[C@@H]1C ZINC000436743986 338285143 /nfs/dbraw/zinc/28/51/43/338285143.db2.gz IMDFCCGPOWTREC-YOEHRIQHSA-N -1 3 319.445 3.793 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(OC(F)F)cc2)c1[O-] ZINC000436747004 338285200 /nfs/dbraw/zinc/28/52/00/338285200.db2.gz JMMKOUKUXIREKD-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3ccc(C)cc3[O-])c2C1 ZINC000436751031 338285385 /nfs/dbraw/zinc/28/53/85/338285385.db2.gz ZFPMRYPIYIEXOM-UHFFFAOYSA-N -1 3 310.397 3.679 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3cccc(C)c3[O-])c2C1 ZINC000436750482 338285422 /nfs/dbraw/zinc/28/54/22/338285422.db2.gz XLGQDBJYLTVYPY-UHFFFAOYSA-N -1 3 310.397 3.679 20 0 DHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccccc1[O-] ZINC000436759810 338285903 /nfs/dbraw/zinc/28/59/03/338285903.db2.gz GWYHVJITHUHAOO-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM Cc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)c([O-])c1 ZINC000436758270 338286039 /nfs/dbraw/zinc/28/60/39/338286039.db2.gz YFNRYDSPEMWBMI-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM C[C@@H](Oc1ccc(F)c(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436765432 338286318 /nfs/dbraw/zinc/28/63/18/338286318.db2.gz BCFBWNXCNILOOE-SECBINFHSA-N -1 3 318.279 3.860 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccc(OC(F)F)c3)n2)cc1 ZINC000436769914 338286525 /nfs/dbraw/zinc/28/65/25/338286525.db2.gz PDQCENRVNYYUFT-UHFFFAOYSA-N -1 3 318.279 3.634 20 0 DHADHM C[C@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436768290 338286545 /nfs/dbraw/zinc/28/65/45/338286545.db2.gz JCYSMXSJAAJWDU-JTQLQIEISA-N -1 3 300.289 3.721 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(-c4cccs4)on3)n2)cc1 ZINC000436767913 338286599 /nfs/dbraw/zinc/28/65/99/338286599.db2.gz HCVZISFCWDXFMS-UHFFFAOYSA-N -1 3 311.322 3.826 20 0 DHADHM COc1cccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)c1[O-] ZINC000436778371 338287043 /nfs/dbraw/zinc/28/70/43/338287043.db2.gz GNNCTZDZTFOWMH-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM [O-]c1ccc(-c2noc(-c3nc(C4CC4)n4ccccc34)n2)cc1 ZINC000436782575 338287071 /nfs/dbraw/zinc/28/70/71/338287071.db2.gz JBQYFESEVHZOOT-UHFFFAOYSA-N -1 3 318.336 3.634 20 0 DHADHM COc1cc(-c2noc(-c3ccc(Cl)s3)n2)ccc1[O-] ZINC000436786064 338287243 /nfs/dbraw/zinc/28/72/43/338287243.db2.gz RJVICHLASJILMQ-UHFFFAOYSA-N -1 3 308.746 3.833 20 0 DHADHM CCOc1cccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)c1 ZINC000436786075 338287381 /nfs/dbraw/zinc/28/73/81/338287381.db2.gz RMRRAAZZWFGBSY-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM Cc1cc(F)ccc1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436790444 338287489 /nfs/dbraw/zinc/28/74/89/338287489.db2.gz HPFHGYKWJSIONE-UHFFFAOYSA-N -1 3 313.372 3.860 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)c([O-])c1 ZINC000436793851 338287683 /nfs/dbraw/zinc/28/76/83/338287683.db2.gz UCJYAULITIGCIM-MRXNPFEDSA-N -1 3 317.429 3.547 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)c([O-])c1 ZINC000436796209 338287816 /nfs/dbraw/zinc/28/78/16/338287816.db2.gz ISPGOWMMKUXHNQ-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM Cc1cccc2[nH]cc(CCNC(=O)c3ccc(C)c(C)c3[O-])c21 ZINC000436804988 338287989 /nfs/dbraw/zinc/28/79/89/338287989.db2.gz CHNZYKOQYHIMFZ-UHFFFAOYSA-N -1 3 322.408 3.771 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c([O-])c1 ZINC000436812714 338288266 /nfs/dbraw/zinc/28/82/66/338288266.db2.gz BSWDFOKLGOJIBM-HXUWFJFHSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1[nH]c2ccc(CNC(=O)c3cccc(C)c3[O-])cc2c1C ZINC000436811823 338288280 /nfs/dbraw/zinc/28/82/80/338288280.db2.gz KKEFNNOSZYMSHA-UHFFFAOYSA-N -1 3 308.381 3.729 20 0 DHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CC1(C)C ZINC000436813961 338288311 /nfs/dbraw/zinc/28/83/11/338288311.db2.gz JLHXMZQYILBQJO-GOSISDBHSA-N -1 3 309.409 3.854 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c([O-])c1C ZINC000436813240 338288334 /nfs/dbraw/zinc/28/83/34/338288334.db2.gz DHVISVAWGHBDKD-UHFFFAOYSA-N -1 3 323.314 3.699 20 0 DHADHM Cc1cccc(CCCNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436820296 338288550 /nfs/dbraw/zinc/28/85/50/338288550.db2.gz GKVRBUPBYKHAPO-UHFFFAOYSA-N -1 3 312.413 3.582 20 0 DHADHM CCc1ccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000436828233 338288790 /nfs/dbraw/zinc/28/87/90/338288790.db2.gz HIHYXIMRLKQWCF-KRWDZBQOSA-N -1 3 312.413 3.519 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)c([O-])c1 ZINC000436832671 338288979 /nfs/dbraw/zinc/28/89/79/338288979.db2.gz JRHBYPQETQDJHB-OAHLLOKOSA-N -1 3 316.426 3.601 20 0 DHADHM CCc1ccc(-c2nc(-c3cccc(COC)c3)no2)c([O-])c1 ZINC000436857081 338290216 /nfs/dbraw/zinc/29/02/16/338290216.db2.gz CCXPODLOCRJTGD-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)c([O-])c1 ZINC000436870819 338290788 /nfs/dbraw/zinc/29/07/88/338290788.db2.gz GCKXZKBCALDEIU-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM COc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1C1CC1 ZINC000436872164 338291012 /nfs/dbraw/zinc/29/10/12/338291012.db2.gz SRBDAXONMWMFFK-UHFFFAOYSA-N -1 3 308.337 3.995 20 0 DHADHM Cc1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c([O-])c1 ZINC000436888018 338291942 /nfs/dbraw/zinc/29/19/42/338291942.db2.gz YYVPIOHKYRIXPH-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1cc2[nH]ncc2cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436889195 338291976 /nfs/dbraw/zinc/29/19/76/338291976.db2.gz VHBJQVBFQZYEAB-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM [O-]c1c(-c2nc(Cc3cccs3)no2)ccc2c1CCCC2 ZINC000436895769 338292553 /nfs/dbraw/zinc/29/25/53/338292553.db2.gz YUHHLINZPQYQPM-UHFFFAOYSA-N -1 3 312.394 3.973 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1[O-] ZINC000436905078 338292844 /nfs/dbraw/zinc/29/28/44/338292844.db2.gz YMDYUORFNNJMSM-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM CCc1nnc(-c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)o1 ZINC000436923962 338293655 /nfs/dbraw/zinc/29/36/55/338293655.db2.gz FAWGPLFWSVBUHC-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436924837 338293688 /nfs/dbraw/zinc/29/36/88/338293688.db2.gz IOLAOOCTWVBELG-GOSISDBHSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436925515 338293829 /nfs/dbraw/zinc/29/38/29/338293829.db2.gz GQJTYYMIYAPUER-HNNXBMFYSA-N -1 3 313.397 3.515 20 0 DHADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000436930174 338294030 /nfs/dbraw/zinc/29/40/30/338294030.db2.gz XBIKECFBHRRPEN-AWEZNQCLSA-N -1 3 313.397 3.933 20 0 DHADHM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436937071 338294363 /nfs/dbraw/zinc/29/43/63/338294363.db2.gz HOFVNLCBUROAGV-UHFFFAOYSA-N -1 3 309.369 3.631 20 0 DHADHM CCc1cnccc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436938906 338294689 /nfs/dbraw/zinc/29/46/89/338294689.db2.gz LNPHEKLAIARPRJ-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM Cc1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)c([O-])c1C ZINC000436942638 338294936 /nfs/dbraw/zinc/29/49/36/338294936.db2.gz WIFBANYFSFXCFE-UHFFFAOYSA-N -1 3 320.352 3.526 20 0 DHADHM Cc1cccc(-c2nc(CCCc3ccsc3)no2)c1[O-] ZINC000436948829 338295398 /nfs/dbraw/zinc/29/53/98/338295398.db2.gz PLUSUAAIGVAJQV-UHFFFAOYSA-N -1 3 300.383 3.987 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H](C)c3ccccc3C)no2)c1 ZINC000436961236 338296000 /nfs/dbraw/zinc/29/60/00/338296000.db2.gz JLXQCDJQZREYMD-GFCCVEGCSA-N -1 3 310.353 3.911 20 0 DHADHM Cc1csc([C@@H](C)CNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436978044 338296444 /nfs/dbraw/zinc/29/64/44/338296444.db2.gz GBDTUTWWPULYBJ-NSHDSACASA-N -1 3 318.442 3.814 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1C ZINC000436979437 338296672 /nfs/dbraw/zinc/29/66/72/338296672.db2.gz JWLMOLZDBWIECA-YVEFUNNKSA-N -1 3 310.397 3.627 20 0 DHADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436987433 338296854 /nfs/dbraw/zinc/29/68/54/338296854.db2.gz IYQDCANLNBZHLW-AGIUHOORSA-N -1 3 317.429 3.612 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)c([O-])c1 ZINC000436991738 338296959 /nfs/dbraw/zinc/29/69/59/338296959.db2.gz ZCRIDPIFEFNPCG-CQSZACIVSA-N -1 3 305.418 3.689 20 0 DHADHM CS[C@@H]1CCCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436991452 338296986 /nfs/dbraw/zinc/29/69/86/338296986.db2.gz YEIUSYATGMMRNN-CQSZACIVSA-N -1 3 319.470 3.629 20 0 DHADHM COc1ccc(C)cc1Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000436997718 338297184 /nfs/dbraw/zinc/29/71/84/338297184.db2.gz HMGNVWMDEILMKG-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM Cc1cccc(C(=O)N2CCc3cc(Cl)ccc3C2)c1[O-] ZINC000436994803 338297222 /nfs/dbraw/zinc/29/72/22/338297222.db2.gz ASTKICLHTAVSIJ-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM CC(C)(C)c1ncc(C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000155648946 338299092 /nfs/dbraw/zinc/29/90/92/338299092.db2.gz PRDFKZXQYWVVTE-UHFFFAOYSA-N -1 3 316.426 3.739 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1ncsc1-c1ccccc1 ZINC000438284461 338338606 /nfs/dbraw/zinc/33/86/06/338338606.db2.gz UBFMBRBAEKOVNT-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CC[C@@H](C)c1cc(-c2nc(-c3ccc([O-])c(OC)c3)no2)on1 ZINC000438742166 338351463 /nfs/dbraw/zinc/35/14/63/338351463.db2.gz VVEAGILHEFODFU-SECBINFHSA-N -1 3 315.329 3.619 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)n1 ZINC000439315829 338366952 /nfs/dbraw/zinc/36/69/52/338366952.db2.gz BXQUKJTXXSBTJO-GOEBONIOSA-N -1 3 311.429 3.513 20 0 DHADHM CC1(C)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000440043714 338382894 /nfs/dbraw/zinc/38/28/94/338382894.db2.gz IWHWULYANQVCNC-UHFFFAOYSA-N -1 3 301.430 3.923 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2ccccc2SC)c1[O-] ZINC000441422048 338412675 /nfs/dbraw/zinc/41/26/75/338412675.db2.gz JIAFZONECYHBFA-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2nc3cc(Cl)ccc3s2)o1 ZINC000447315092 338549236 /nfs/dbraw/zinc/54/92/36/338549236.db2.gz OYCBLMDITULWKK-UHFFFAOYSA-N -1 3 320.757 3.998 20 0 DHADHM Cc1cc(C)cc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448928343 338580191 /nfs/dbraw/zinc/58/01/91/338580191.db2.gz LURGAKCBJRURLR-ZDUSSCGKSA-N -1 3 301.361 3.568 20 0 DHADHM Cc1ccc(CS(=O)(=O)[N-]c2c(C)cccc2F)c(F)c1 ZINC000194676194 338706201 /nfs/dbraw/zinc/70/62/01/338706201.db2.gz TWAPZGQVUGFGET-UHFFFAOYSA-N -1 3 311.353 3.524 20 0 DHADHM Cc1csc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000451564327 338739419 /nfs/dbraw/zinc/73/94/19/338739419.db2.gz IPULRUIQIZGGMX-NSHDSACASA-N -1 3 323.430 3.550 20 0 DHADHM CCCn1ncc(NC(=O)c2cc([O-])ccc2Cl)c1C1CC1 ZINC000452469619 338767804 /nfs/dbraw/zinc/76/78/04/338767804.db2.gz WKVFAMYCLHRAQR-UHFFFAOYSA-N -1 3 319.792 3.782 20 0 DHADHM CCCn1ncc(NC(=O)c2ccc([O-])c(CC)c2)c1C1CC1 ZINC000452978894 338785315 /nfs/dbraw/zinc/78/53/15/338785315.db2.gz IAHFCURHYMENCN-UHFFFAOYSA-N -1 3 313.401 3.691 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H]1C1CC1 ZINC000452987042 338785544 /nfs/dbraw/zinc/78/55/44/338785544.db2.gz JCCRIURSQAQUKQ-SFHVURJKSA-N -1 3 307.393 3.608 20 0 DHADHM CCOc1cc(-c2noc([C@]3(C)CC=CCC3)n2)ccc1[O-] ZINC000453159993 338801055 /nfs/dbraw/zinc/80/10/55/338801055.db2.gz GDCIISPSIMAVJN-QGZVFWFLSA-N -1 3 300.358 3.839 20 0 DHADHM COc1cc(-c2nc(C(C)(C)C3CCC3)no2)cc(OC)c1[O-] ZINC000453301999 338821094 /nfs/dbraw/zinc/82/10/94/338821094.db2.gz ZSOMFOJNELZGED-UHFFFAOYSA-N -1 3 318.373 3.537 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456268988 338923705 /nfs/dbraw/zinc/92/37/05/338923705.db2.gz DOMLQJZBYJAJET-MJGOQNOKSA-N -1 3 311.425 3.532 20 0 DHADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1ccc(F)cc1 ZINC000459306123 339020729 /nfs/dbraw/zinc/02/07/29/339020729.db2.gz PXODUKLEFJWWSI-GFCCVEGCSA-N -1 3 315.392 3.782 20 0 DHADHM CC(C)N(Cc1cccc(F)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459314063 339021201 /nfs/dbraw/zinc/02/12/01/339021201.db2.gz YVNOJYHWGILVRS-UHFFFAOYSA-N -1 3 315.392 3.609 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Cl ZINC000459346246 339023339 /nfs/dbraw/zinc/02/33/39/339023339.db2.gz JBCWUYNDRHDQOB-JTQLQIEISA-N -1 3 303.793 3.564 20 0 DHADHM CSc1ccc([C@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000459430680 339028777 /nfs/dbraw/zinc/02/87/77/339028777.db2.gz JGUNAHFAAQCLKC-NSHDSACASA-N -1 3 315.442 3.632 20 0 DHADHM CCOc1cc(CN[C@H](C)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000459456381 339030078 /nfs/dbraw/zinc/03/00/78/339030078.db2.gz FBKUTRGGFAYXML-SNVBAGLBSA-N -1 3 324.783 3.829 20 0 DHADHM CC[C@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000459501509 339032841 /nfs/dbraw/zinc/03/28/41/339032841.db2.gz ZZSONMHSVHPTKJ-VIFPVBQESA-N -1 3 312.129 3.585 20 0 DHADHM CC1(C)CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1c1cccs1 ZINC000459532689 339034378 /nfs/dbraw/zinc/03/43/78/339034378.db2.gz NOCZMQIADTZKIY-OAHLLOKOSA-N -1 3 315.442 3.704 20 0 DHADHM CCOc1cc(CN2CCCc3occc3C2)cc(Cl)c1[O-] ZINC000459567193 339036128 /nfs/dbraw/zinc/03/61/28/339036128.db2.gz JOLWKQJDZRLUJC-UHFFFAOYSA-N -1 3 321.804 3.986 20 0 DHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000462707871 339084502 /nfs/dbraw/zinc/08/45/02/339084502.db2.gz ZVAPYSATQZTAAH-GARJFASQSA-N -1 3 319.879 3.649 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000468277147 339258717 /nfs/dbraw/zinc/25/87/17/339258717.db2.gz MDFBHZGUBMOTNU-KRWDZBQOSA-N -1 3 319.836 3.885 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC1CCCCC1 ZINC000468318616 339259778 /nfs/dbraw/zinc/25/97/78/339259778.db2.gz KTCKAJFMSWIOLL-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468335390 339260112 /nfs/dbraw/zinc/26/01/12/339260112.db2.gz GFWIEKGUZWDUDL-UHFFFAOYSA-N -1 3 301.361 3.907 20 0 DHADHM Cc1cc(C)nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469044750 339278522 /nfs/dbraw/zinc/27/85/22/339278522.db2.gz QRYIGZBIACTICD-UHFFFAOYSA-N -1 3 302.349 3.505 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC(F)(F)C1 ZINC000469103631 339280326 /nfs/dbraw/zinc/28/03/26/339280326.db2.gz WWVINDKYXUIMRX-LBPRGKRZSA-N -1 3 315.335 3.548 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c(C)c1 ZINC000469170889 339281977 /nfs/dbraw/zinc/28/19/77/339281977.db2.gz GCHLJZPOPWCTOZ-LBPRGKRZSA-N -1 3 311.381 3.863 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)c2c([O-])cccc21 ZINC000469259340 339284460 /nfs/dbraw/zinc/28/44/60/339284460.db2.gz SJVYZJHKSFDQSC-CQSZACIVSA-N -1 3 321.420 3.964 20 0 DHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000469804972 339301232 /nfs/dbraw/zinc/30/12/32/339301232.db2.gz VMDFUMUPWOJDLQ-ZDUSSCGKSA-N -1 3 307.409 3.749 20 0 DHADHM CCCC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000470619311 339323176 /nfs/dbraw/zinc/32/31/76/339323176.db2.gz CUTXSNFEHUUAOP-UHFFFAOYSA-N -1 3 321.364 3.564 20 0 DHADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000475527645 339454156 /nfs/dbraw/zinc/45/41/56/339454156.db2.gz DFHQURLLRKWHSJ-MRXNPFEDSA-N -1 3 319.401 3.564 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000476245820 339472126 /nfs/dbraw/zinc/47/21/26/339472126.db2.gz HBEGAKYHQXNDOH-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=c1ccnc(C(=Cc2ccc(F)c(F)c2)Cc2ccccc2)[n-]1 ZINC000477413602 339494380 /nfs/dbraw/zinc/49/43/80/339494380.db2.gz DBVDPHNEWUVXIS-PTNGSMBKSA-N -1 3 324.330 3.831 20 0 DHADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477518314 339496546 /nfs/dbraw/zinc/49/65/46/339496546.db2.gz XRUYNHRGDBGMMF-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000478275264 339512369 /nfs/dbraw/zinc/51/23/69/339512369.db2.gz DWHWHNQWLCWPBD-IFIJOSMWSA-N -1 3 323.408 3.947 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000478275263 339512381 /nfs/dbraw/zinc/51/23/81/339512381.db2.gz DWHWHNQWLCWPBD-HACGYAERSA-N -1 3 323.408 3.947 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1 ZINC000482973684 339648900 /nfs/dbraw/zinc/64/89/00/339648900.db2.gz DWCGMDLGQJUFPC-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(F)c1 ZINC000485347083 339701612 /nfs/dbraw/zinc/70/16/12/339701612.db2.gz MZTZPIBZFHTGHI-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM CCc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1[O-] ZINC000485460958 339703793 /nfs/dbraw/zinc/70/37/93/339703793.db2.gz DXWNCXLMFDQGNU-NSHDSACASA-N -1 3 301.411 3.776 20 0 DHADHM CCc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000485671175 339708762 /nfs/dbraw/zinc/70/87/62/339708762.db2.gz NXKQLXPMQFCSDG-SNVBAGLBSA-N -1 3 305.324 3.724 20 0 DHADHM O=c1cc(C=Cc2ccc(OCC(F)F)cc2)nc(C2CC2)[n-]1 ZINC000486100175 339721197 /nfs/dbraw/zinc/72/11/97/339721197.db2.gz ACYOVRARWPMJCV-BHQIHCQQSA-N -1 3 318.323 3.874 20 0 DHADHM CCc1cc(C(=O)N2CCc3c2cccc3Cl)ccc1[O-] ZINC000486657081 339730492 /nfs/dbraw/zinc/73/04/92/339730492.db2.gz XRJPTMGEFYYPME-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM CCc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)ccc1[O-] ZINC000487665580 339760687 /nfs/dbraw/zinc/76/06/87/339760687.db2.gz KZGBYOWBVMQJKW-SHTZXODSSA-N -1 3 313.372 3.770 20 0 DHADHM Cc1cc(Br)oc1C(=O)Nc1c(C)cccc1[O-] ZINC000490647690 339836446 /nfs/dbraw/zinc/83/64/46/339836446.db2.gz RSHJOCHXSJNNTA-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2c[nH]c(C(F)(F)F)c2)c1[O-] ZINC000490817489 339841060 /nfs/dbraw/zinc/84/10/60/339841060.db2.gz HLZPJQJNEQXNKK-UHFFFAOYSA-N -1 3 318.682 3.953 20 0 DHADHM COc1ccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c([O-])c1 ZINC000491957001 339887785 /nfs/dbraw/zinc/88/77/85/339887785.db2.gz BHZBSKQKGYKUKU-CLTKARDFSA-N -1 3 308.337 3.534 20 0 DHADHM Cc1cc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)ccc1[O-] ZINC000499668616 340042465 /nfs/dbraw/zinc/04/24/65/340042465.db2.gz LYPGGZAEYGHKNK-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000500093825 340049949 /nfs/dbraw/zinc/04/99/49/340049949.db2.gz YSYMIILIDCNFBM-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1[O-] ZINC000500151769 340051456 /nfs/dbraw/zinc/05/14/56/340051456.db2.gz WWARMISDMBLGEB-OLZOCXBDSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)ccc1[O-] ZINC000500316366 340055104 /nfs/dbraw/zinc/05/51/04/340055104.db2.gz NBPCKFIQHXZXCI-QGZVFWFLSA-N -1 3 309.409 3.966 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)c1 ZINC000501789217 340088882 /nfs/dbraw/zinc/08/88/82/340088882.db2.gz AEFSXYQYIRBTQB-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2n[nH]c3ccccc32)c([O-])c1 ZINC000501945235 340091222 /nfs/dbraw/zinc/09/12/22/340091222.db2.gz IIHLRHLKSYWSHC-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC000501966493 340091617 /nfs/dbraw/zinc/09/16/17/340091617.db2.gz JJGGSGAMLXICMH-FUNVUKJBSA-N -1 3 315.413 3.634 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2[n-]nnc21)C1CCCCC1 ZINC000503441202 340128364 /nfs/dbraw/zinc/12/83/64/340128364.db2.gz OEDIEPNNKRPCDL-UHFFFAOYSA-N -1 3 318.396 3.672 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2nn[n-]c21)C1CCCCC1 ZINC000503441202 340128365 /nfs/dbraw/zinc/12/83/65/340128365.db2.gz OEDIEPNNKRPCDL-UHFFFAOYSA-N -1 3 318.396 3.672 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2n[n-]nc21)C1CCCCC1 ZINC000503441202 340128366 /nfs/dbraw/zinc/12/83/66/340128366.db2.gz OEDIEPNNKRPCDL-UHFFFAOYSA-N -1 3 318.396 3.672 20 0 DHADHM O=C(NC1(c2ccccc2)CCCCC1)c1ccc2n[n-]nc2c1 ZINC000505741345 340176294 /nfs/dbraw/zinc/17/62/94/340176294.db2.gz DFWHYPKWZDCCRG-UHFFFAOYSA-N -1 3 320.396 3.547 20 0 DHADHM CCc1ncsc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506247205 340190046 /nfs/dbraw/zinc/19/00/46/340190046.db2.gz HAMXLIIWXUQFPF-UHFFFAOYSA-N -1 3 304.415 3.961 20 0 DHADHM Cc1cc(C(=O)NCCc2cc3ccccc3s2)ccc1[O-] ZINC000506517726 340196050 /nfs/dbraw/zinc/19/60/50/340196050.db2.gz GUVFLOGJBIOTKW-UHFFFAOYSA-N -1 3 311.406 3.888 20 0 DHADHM CCOc1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000506931138 340203967 /nfs/dbraw/zinc/20/39/67/340203967.db2.gz PJYWKYAWEQFCKN-UHFFFAOYSA-N -1 3 307.340 3.701 20 0 DHADHM COCCN(CCc1ccccc1)Cc1cccc([O-])c1Cl ZINC000507390124 340218340 /nfs/dbraw/zinc/21/83/40/340218340.db2.gz QIODRDLWBPMRCO-UHFFFAOYSA-N -1 3 319.832 3.737 20 0 DHADHM CN(CCCOc1ccccc1)Cc1cccc([O-])c1Cl ZINC000507534979 340224665 /nfs/dbraw/zinc/22/46/65/340224665.db2.gz QGAHTNWDHDQWRY-UHFFFAOYSA-N -1 3 305.805 3.947 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)sc1C ZINC000508126415 340239516 /nfs/dbraw/zinc/23/95/16/340239516.db2.gz TZTPNJPBSJQEFD-UHFFFAOYSA-N -1 3 323.430 3.611 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1cccc(OC)c1 ZINC000508604676 340247820 /nfs/dbraw/zinc/24/78/20/340247820.db2.gz QAPDZRDECKCSGC-UHFFFAOYSA-N -1 3 319.788 3.650 20 0 DHADHM Cc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000508606376 340247868 /nfs/dbraw/zinc/24/78/68/340247868.db2.gz POSXOHXTWUDSJU-UHFFFAOYSA-N -1 3 303.789 3.521 20 0 DHADHM Cc1cc(C)c(CNC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000508617811 340248381 /nfs/dbraw/zinc/24/83/81/340248381.db2.gz YEEUFLXIGHKZKQ-UHFFFAOYSA-N -1 3 317.816 3.830 20 0 DHADHM [O-]c1cccc(CN(C[C@@H]2CCCO2)C2CCCC2)c1Cl ZINC000508757045 340252646 /nfs/dbraw/zinc/25/26/46/340252646.db2.gz KPSGYCKJZRGHFG-HNNXBMFYSA-N -1 3 309.837 3.969 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H](Nc3ccccc3)C2)c1F ZINC000508790014 340253179 /nfs/dbraw/zinc/25/31/79/340253179.db2.gz QMPBDLLIBWXWIL-AWEZNQCLSA-N -1 3 318.367 3.747 20 0 DHADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)Oc1cccc(Cl)c1 ZINC000509002743 340257796 /nfs/dbraw/zinc/25/77/96/340257796.db2.gz UXVXNHHTQJJZQE-HNNXBMFYSA-N -1 3 319.788 3.633 20 0 DHADHM CC(C)(C)c1csc(NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000509091890 340261018 /nfs/dbraw/zinc/26/10/18/340261018.db2.gz CVTJPVSCLANNON-UHFFFAOYSA-N -1 3 324.833 3.981 20 0 DHADHM O=C(Nc1nc2c(s1)CCCCCC2)c1cccc([O-])c1 ZINC000509093078 340261045 /nfs/dbraw/zinc/26/10/45/340261045.db2.gz KOKNTVSGWGEGMS-UHFFFAOYSA-N -1 3 302.399 3.760 20 0 DHADHM Cc1ccc(CCNC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000509098381 340261318 /nfs/dbraw/zinc/26/13/18/340261318.db2.gz XATMKTPTLZPOMX-UHFFFAOYSA-N -1 3 317.816 3.564 20 0 DHADHM CC(C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000509240154 340264343 /nfs/dbraw/zinc/26/43/43/340264343.db2.gz NBADCDQORCBPPS-MRXNPFEDSA-N -1 3 305.324 3.798 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cccc(C(F)(F)F)c2)c1F ZINC000509644059 340275388 /nfs/dbraw/zinc/27/53/88/340275388.db2.gz QBGNUJPIVSIQRK-UHFFFAOYSA-N -1 3 317.257 3.979 20 0 DHADHM COc1cc(C(=O)NCC2(CC(C)C)CCCC2)ccc1[O-] ZINC000510041942 340286151 /nfs/dbraw/zinc/28/61/51/340286151.db2.gz LWBYIQOUJVFQSE-UHFFFAOYSA-N -1 3 305.418 3.737 20 0 DHADHM CCCCCc1nnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000302925528 340286876 /nfs/dbraw/zinc/28/68/76/340286876.db2.gz BIMRKWNDNRZAAZ-UHFFFAOYSA-N -1 3 305.403 3.537 20 0 DHADHM Cc1[nH]c2ccccc2c1CCNCc1c(F)ccc([O-])c1F ZINC000510521764 340301773 /nfs/dbraw/zinc/30/17/73/340301773.db2.gz FCTLZEVRTFZWBY-UHFFFAOYSA-N -1 3 316.351 3.792 20 0 DHADHM CC(C)(CNCc1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000510676096 340306236 /nfs/dbraw/zinc/30/62/36/340306236.db2.gz VWBAJPYNOFNCAV-UHFFFAOYSA-N -1 3 309.331 3.877 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512030908 340345848 /nfs/dbraw/zinc/34/58/48/340345848.db2.gz MGVSHMGTZWSADA-BDAKNGLRSA-N -1 3 310.246 3.706 20 0 DHADHM O=S(=O)([N-][C@H]1CCCC[C@H]1c1ccccc1)c1cccs1 ZINC000512037437 340346264 /nfs/dbraw/zinc/34/62/64/340346264.db2.gz PYTKYXYFGCKMDU-GJZGRUSLSA-N -1 3 321.467 3.753 20 0 DHADHM CCC(CC)[C@H]1C[C@H](NCc2c(F)ccc([O-])c2F)CCO1 ZINC000512230452 340353316 /nfs/dbraw/zinc/35/33/16/340353316.db2.gz UELOWQFALZKFMG-MLGOLLRUSA-N -1 3 313.388 3.744 20 0 DHADHM COc1ccc([C@H](C)CCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000303959078 340356282 /nfs/dbraw/zinc/35/62/82/340356282.db2.gz VYTJWRPTDMQJNJ-CQSZACIVSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000304045180 340359190 /nfs/dbraw/zinc/35/91/90/340359190.db2.gz OGOLDVGTEBQFBZ-WBVHZDCISA-N -1 3 309.409 3.966 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C ZINC000512571768 340367356 /nfs/dbraw/zinc/36/73/56/340367356.db2.gz GRJDRHLIALRMPN-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CCOc1c(F)cccc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000173731856 340373163 /nfs/dbraw/zinc/37/31/63/340373163.db2.gz TYCQSINEJRTTLG-UHFFFAOYSA-N -1 3 323.393 3.527 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000513613042 340414944 /nfs/dbraw/zinc/41/49/44/340414944.db2.gz LIOUYPGYIRSWTB-KBPBESRZSA-N -1 3 317.335 3.823 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)c([O-])c1 ZINC000513744674 340423069 /nfs/dbraw/zinc/42/30/69/340423069.db2.gz OAKNSUMHTXOGEX-UHFFFAOYSA-N -1 3 312.369 3.669 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000517207941 340465530 /nfs/dbraw/zinc/46/55/30/340465530.db2.gz JSUCFQFPQZPBQP-LLVKDONJSA-N -1 3 323.801 3.533 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000183049261 340486392 /nfs/dbraw/zinc/48/63/92/340486392.db2.gz QNWXYOXCUIBXBQ-VAWYXSNFSA-N -1 3 304.349 3.901 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183239437 340487088 /nfs/dbraw/zinc/48/70/88/340487088.db2.gz LXYCYEYGELPLAZ-LBPRGKRZSA-N -1 3 317.360 3.747 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2c([O-])cccc2Cl)c1C ZINC000565199911 340506045 /nfs/dbraw/zinc/50/60/45/340506045.db2.gz NFTFXIZNYNUPCK-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM COCc1ccsc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186333324 340511446 /nfs/dbraw/zinc/51/14/46/340511446.db2.gz YKQBCHKXSGVUGW-LLVKDONJSA-N -1 3 317.410 3.754 20 0 DHADHM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000186909233 340516748 /nfs/dbraw/zinc/51/67/48/340516748.db2.gz HTCZKPSZTAWQLN-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2c(C)oc3ccccc32)c1[O-] ZINC000521686934 340528947 /nfs/dbraw/zinc/52/89/47/340528947.db2.gz LQAAFHFJYSGYQI-UHFFFAOYSA-N -1 3 309.321 3.902 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cc(Cl)ccc1F ZINC000231110669 340621869 /nfs/dbraw/zinc/62/18/69/340621869.db2.gz VTABPEDVZZMNHF-GHMZBOCLSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1ccc(C[C@H](C)NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235174185 340657491 /nfs/dbraw/zinc/65/74/91/340657491.db2.gz HKZMHPVAYZVMNT-VIFPVBQESA-N -1 3 309.818 3.777 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1 ZINC000524640781 340659907 /nfs/dbraw/zinc/65/99/07/340659907.db2.gz RZYNJKNWXRJTAV-UHFFFAOYSA-N -1 3 319.426 3.973 20 0 DHADHM O=C(N[C@H]1CCCc2sccc21)c1cc([O-])ccc1Cl ZINC000236608643 340663039 /nfs/dbraw/zinc/66/30/39/340663039.db2.gz MOTRFFWOSUKXCJ-ZDUSSCGKSA-N -1 3 307.802 3.915 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000527275037 340709220 /nfs/dbraw/zinc/70/92/20/340709220.db2.gz NIPAYEPFDPQNAV-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@H](C)C(C)C ZINC000529400954 340754193 /nfs/dbraw/zinc/75/41/93/340754193.db2.gz DXOHEEOBVPENDI-SNVBAGLBSA-N -1 3 314.223 3.661 20 0 DHADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([O-])ccc1Cl ZINC000529831245 340770877 /nfs/dbraw/zinc/77/08/77/340770877.db2.gz QQVVKCTYOAWUQS-MRXNPFEDSA-N -1 3 316.788 3.712 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)o1 ZINC000539107305 340873688 /nfs/dbraw/zinc/87/36/88/340873688.db2.gz OTEUQVBGJDSSOG-KRWDZBQOSA-N -1 3 319.426 3.798 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(OC(F)(F)F)cc1 ZINC000128322081 340873785 /nfs/dbraw/zinc/87/37/85/340873785.db2.gz IKGKLSDRAIIOPI-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000069692949 340976966 /nfs/dbraw/zinc/97/69/66/340976966.db2.gz RBAHEPAZCUIKJO-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM Cc1ccc([O-])c(CN(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000130118942 341000688 /nfs/dbraw/zinc/00/06/88/341000688.db2.gz NMNPKBQHNXJUCH-UHFFFAOYSA-N -1 3 304.340 3.538 20 0 DHADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc([O-])c1 ZINC000543844713 341061389 /nfs/dbraw/zinc/06/13/89/341061389.db2.gz VHAMBSSYLUNMEP-UHFFFAOYSA-N -1 3 313.372 3.988 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000544835855 341095799 /nfs/dbraw/zinc/09/57/99/341095799.db2.gz NTQZVQSWYWBZPM-ZDUSSCGKSA-N -1 3 319.426 3.506 20 0 DHADHM CCc1cccc(-c2nc(CC3CCC(OC)CC3)no2)c1[O-] ZINC000545126520 341109646 /nfs/dbraw/zinc/10/96/46/341109646.db2.gz MQKAVIAHPIKZHI-UHFFFAOYSA-N -1 3 316.401 3.752 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1C ZINC000545892346 341144645 /nfs/dbraw/zinc/14/46/45/341144645.db2.gz VUQSMZMXFOAPJA-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1[O-] ZINC000546378708 341165832 /nfs/dbraw/zinc/16/58/32/341165832.db2.gz WTRRLADIPJOTDB-UHFFFAOYSA-N -1 3 306.365 3.887 20 0 DHADHM Cc1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)c([O-])c1C ZINC000546402188 341166752 /nfs/dbraw/zinc/16/67/52/341166752.db2.gz OCIWKBBZLNOLFX-AWEZNQCLSA-N -1 3 322.364 3.973 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc4nccnc4c3)no2)c1[O-] ZINC000547146612 341198044 /nfs/dbraw/zinc/19/80/44/341198044.db2.gz HZBJOYUVNHOOTM-UHFFFAOYSA-N -1 3 318.336 3.615 20 0 DHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000134210524 341209560 /nfs/dbraw/zinc/20/95/60/341209560.db2.gz STOZKBVVMPIJBK-JTQLQIEISA-N -1 3 323.314 3.620 20 0 DHADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)c3ccon3)on2)cc1 ZINC000077009435 341217104 /nfs/dbraw/zinc/21/71/04/341217104.db2.gz JEEOGCZGDXSRPQ-UHFFFAOYSA-N -1 3 311.341 3.879 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-][C@@](C)(CC)C(F)(F)F)cc1 ZINC000547496111 341217784 /nfs/dbraw/zinc/21/77/84/341217784.db2.gz MLJDLVBUILBDKP-ZDUSSCGKSA-N -1 3 323.380 3.648 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C)nc3ccccc32)n1 ZINC000134691354 341222059 /nfs/dbraw/zinc/22/20/59/341222059.db2.gz PFRZSSGLFAZNFQ-SNVBAGLBSA-N -1 3 312.398 3.596 20 0 DHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000134976690 341227777 /nfs/dbraw/zinc/22/77/77/341227777.db2.gz OCPQOOQKBUJFKG-LBPRGKRZSA-N -1 3 303.789 3.749 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000547839153 341236824 /nfs/dbraw/zinc/23/68/24/341236824.db2.gz KFPPCQVBYSCUFC-GWCFXTLKSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000078361013 341241184 /nfs/dbraw/zinc/24/11/84/341241184.db2.gz DFWWFHQQXGBQPD-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)ccc1[O-] ZINC000135996685 341249880 /nfs/dbraw/zinc/24/98/80/341249880.db2.gz QPRKMTGASXLRGQ-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C([N-]c1ccccc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000136274443 341256175 /nfs/dbraw/zinc/25/61/75/341256175.db2.gz UWVAGTJIOHYGQT-UHFFFAOYSA-N -1 3 324.311 3.668 20 0 DHADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000548402759 341259034 /nfs/dbraw/zinc/25/90/34/341259034.db2.gz WSGBCNUKXHDCQT-NVXWUHKLSA-N -1 3 320.396 3.572 20 0 DHADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000548402759 341259035 /nfs/dbraw/zinc/25/90/35/341259035.db2.gz WSGBCNUKXHDCQT-NVXWUHKLSA-N -1 3 320.396 3.572 20 0 DHADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000548402759 341259036 /nfs/dbraw/zinc/25/90/36/341259036.db2.gz WSGBCNUKXHDCQT-NVXWUHKLSA-N -1 3 320.396 3.572 20 0 DHADHM CC[C@H]1[C@H](C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548490061 341263874 /nfs/dbraw/zinc/26/38/74/341263874.db2.gz QZXBEPVXTFEILG-YPMHNXCESA-N -1 3 311.385 3.702 20 0 DHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000080035865 341268842 /nfs/dbraw/zinc/26/88/42/341268842.db2.gz FPKVBQMLPHXCPP-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c([O-])c1 ZINC000080038950 341268851 /nfs/dbraw/zinc/26/88/51/341268851.db2.gz KRYDOXBAOACTBU-UHFFFAOYSA-N -1 3 305.443 3.593 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCCc2sccc21 ZINC000137392235 341274561 /nfs/dbraw/zinc/27/45/61/341274561.db2.gz ANFUGDSDOQPKHT-AWEZNQCLSA-N -1 3 321.829 3.843 20 0 DHADHM O=C(NCCCc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000550556420 341318662 /nfs/dbraw/zinc/31/86/62/341318662.db2.gz IAWAOGAXSQNZFY-UHFFFAOYSA-N -1 3 307.752 3.547 20 0 DHADHM COc1cccc([C@H](C)CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000084633682 341361288 /nfs/dbraw/zinc/36/12/88/341361288.db2.gz XDUHQANELWJPML-LLVKDONJSA-N -1 3 303.333 3.672 20 0 DHADHM Cc1ccccc1[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC000552050966 341365262 /nfs/dbraw/zinc/36/52/62/341365262.db2.gz WHGGVYNOOAGNNB-KRWDZBQOSA-N -1 3 319.351 3.552 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2sccc2C2CC2)c1[O-] ZINC000552069406 341367280 /nfs/dbraw/zinc/36/72/80/341367280.db2.gz QNVYXFZOHNWMRF-UHFFFAOYSA-N -1 3 301.367 3.786 20 0 DHADHM CSc1ccccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552286939 341384347 /nfs/dbraw/zinc/38/43/47/341384347.db2.gz ACYDOXFCLYTTMM-UHFFFAOYSA-N -1 3 301.367 3.569 20 0 DHADHM CCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccn1 ZINC000552287086 341384373 /nfs/dbraw/zinc/38/43/73/341384373.db2.gz HPNZOXZDJIAVSF-CQSZACIVSA-N -1 3 312.369 3.512 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2csc3c2CCCC3)c1[O-] ZINC000552287649 341384437 /nfs/dbraw/zinc/38/44/37/341384437.db2.gz YJCSPHSCQBRUOE-UHFFFAOYSA-N -1 3 315.394 3.787 20 0 DHADHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000249154837 341394754 /nfs/dbraw/zinc/39/47/54/341394754.db2.gz WGZYCSQTRBCLDI-MGCOHNPYSA-N -1 3 301.308 3.720 20 0 DHADHM COc1ccc(NC(=O)[C@@H](C)Cn2ccc3ccccc32)c([O-])c1 ZINC000552485973 341396020 /nfs/dbraw/zinc/39/60/20/341396020.db2.gz TTWUYGBPRYXCIA-ZDUSSCGKSA-N -1 3 324.380 3.630 20 0 DHADHM Cc1ccc(NC(=O)CCCc2cc(F)ccc2F)c([O-])c1 ZINC000090071032 341413123 /nfs/dbraw/zinc/41/31/23/341413123.db2.gz NJJZAOJATJIFGF-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM CCc1ccc([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000553591690 341432012 /nfs/dbraw/zinc/43/20/12/341432012.db2.gz NXRWAOGXEIKCMF-SFHVURJKSA-N -1 3 309.409 3.974 20 0 DHADHM Cc1cc(CNC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])no1 ZINC000554527256 341456550 /nfs/dbraw/zinc/45/65/50/341456550.db2.gz UYBGVTLKXFMAQY-UHFFFAOYSA-N -1 3 316.401 3.865 20 0 DHADHM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262472057 341522841 /nfs/dbraw/zinc/52/28/41/341522841.db2.gz AGXQVGJFZPESCK-SFHVURJKSA-N -1 3 313.397 3.781 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccccc2[O-])nn1-c1ccccc1 ZINC000154656262 341593326 /nfs/dbraw/zinc/59/33/26/341593326.db2.gz HKISSBHYJJBUPC-UHFFFAOYSA-N -1 3 321.380 3.954 20 0 DHADHM CC(C)Cn1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000567805020 341634376 /nfs/dbraw/zinc/63/43/76/341634376.db2.gz INZLMZVYMHRQCT-UHFFFAOYSA-N -1 3 322.821 3.988 20 0 DHADHM Cc1ccc(NC(=O)[C@H](C)CC(=O)c2ccccc2F)c([O-])c1 ZINC000568732963 341679895 /nfs/dbraw/zinc/67/98/95/341679895.db2.gz OQXZELNXQXAPKS-GFCCVEGCSA-N -1 3 315.344 3.687 20 0 DHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1ccc(F)cc1F ZINC000577165477 341892925 /nfs/dbraw/zinc/89/29/25/341892925.db2.gz UDZJMJRLIWTCMT-KRWDZBQOSA-N -1 3 319.351 3.531 20 0 DHADHM CCc1ccc(-c2ccc(CNC(C)(C)CC(=O)[O-])o2)cc1 ZINC000577188291 341895400 /nfs/dbraw/zinc/89/54/00/341895400.db2.gz CFJQINRPVGBUNO-UHFFFAOYSA-N -1 3 301.386 3.852 20 0 DHADHM CC1(C)CCC[C@H](CN[C@H](C(=O)[O-])c2c(F)cccc2F)C1 ZINC000577339156 341904841 /nfs/dbraw/zinc/90/48/41/341904841.db2.gz QSWHTUVCPPJCGT-NHYWBVRUSA-N -1 3 311.372 3.897 20 0 DHADHM CC1CCN(Cc2nc(-c3ccc([O-])c4ccccc34)no2)CC1 ZINC000577777931 341936371 /nfs/dbraw/zinc/93/63/71/341936371.db2.gz KIBKRCTZNGZOAT-UHFFFAOYSA-N -1 3 323.396 3.827 20 0 DHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1[O-] ZINC000178090758 341944108 /nfs/dbraw/zinc/94/41/08/341944108.db2.gz BCOURVQWKZYWAR-AWEZNQCLSA-N -1 3 305.761 3.842 20 0 DHADHM CC(C)(c1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000106685273 519382318 /nfs/dbraw/zinc/38/23/18/519382318.db2.gz RKYQIDCPKRDCPH-UHFFFAOYSA-N -1 3 313.382 3.709 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)cc1 ZINC000339588347 519781022 /nfs/dbraw/zinc/78/10/22/519781022.db2.gz ZUUPOIAKSXYYFX-UHFFFAOYSA-N -1 3 322.368 3.511 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)cc1 ZINC000339588347 519781023 /nfs/dbraw/zinc/78/10/23/519781023.db2.gz ZUUPOIAKSXYYFX-UHFFFAOYSA-N -1 3 322.368 3.511 20 0 DHADHM CCO[N-]C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000182870039 520233331 /nfs/dbraw/zinc/23/33/31/520233331.db2.gz SMLZKIVSFQMWNB-UHFFFAOYSA-N -1 3 316.201 3.797 20 0 DHADHM CCC[C@H](C)N(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000266154784 521033953 /nfs/dbraw/zinc/03/39/53/521033953.db2.gz MEZZOKSWQFHKEE-NSHDSACASA-N -1 3 304.365 3.649 20 0 DHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265701077 522009001 /nfs/dbraw/zinc/00/90/01/522009001.db2.gz QSBPUCSLIUPSGG-SUMWQHHRSA-N -1 3 312.413 3.981 20 0 DHADHM COCc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186265146 522950423 /nfs/dbraw/zinc/95/04/23/522950423.db2.gz IHFDGRSLDBZLLP-ZDUSSCGKSA-N -1 3 311.381 3.693 20 0 DHADHM CCc1oc(C(=O)[N-]c2ccccc2SC)cc1C(=O)OC ZINC000338410586 523000446 /nfs/dbraw/zinc/00/04/46/523000446.db2.gz LDVZPJHDJZRNGM-UHFFFAOYSA-N -1 3 319.382 3.603 20 0 DHADHM CCc1ccc(C(=O)N2CC=C(c3cnccc3C)CC2)c([O-])c1 ZINC000364891100 523882018 /nfs/dbraw/zinc/88/20/18/523882018.db2.gz BTSRABQLXQQKKY-UHFFFAOYSA-N -1 3 322.408 3.588 20 0 DHADHM Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154826409 524659171 /nfs/dbraw/zinc/65/91/71/524659171.db2.gz OMYTZFJOBVELDD-UHFFFAOYSA-N -1 3 310.328 3.536 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108249443 525791590 /nfs/dbraw/zinc/79/15/90/525791590.db2.gz VMEDCJKBUAFSTB-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816709 526045728 /nfs/dbraw/zinc/04/57/28/526045728.db2.gz SCMGYFPVCKUMRU-FXPVBKGRSA-N -1 3 302.201 3.707 20 0 DHADHM CSc1cccc(F)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000336885947 526104646 /nfs/dbraw/zinc/10/46/46/526104646.db2.gz FWVAKEACWZMPFQ-UHFFFAOYSA-N -1 3 319.333 3.589 20 0 DHADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267189129 526222211 /nfs/dbraw/zinc/22/22/11/526222211.db2.gz BCLFITMAKSKPJJ-TZMCWYRMSA-N -1 3 312.413 3.885 20 0 DHADHM [O-]c1cccc(CNC2CCC3(CCOCC3)CC2)c1Cl ZINC000339294722 526358532 /nfs/dbraw/zinc/35/85/32/526358532.db2.gz VYDMKDRKTCEHJF-UHFFFAOYSA-N -1 3 309.837 3.875 20 0 DHADHM Cc1noc([N-]C(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C ZINC000266265555 526637462 /nfs/dbraw/zinc/63/74/62/526637462.db2.gz YRANYLOUMAOHPD-UHFFFAOYSA-N -1 3 308.765 3.741 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccsc1 ZINC000163758693 526684734 /nfs/dbraw/zinc/68/47/34/526684734.db2.gz ZXKZTQQYWXRJPO-AWEZNQCLSA-N -1 3 320.389 3.640 20 0 DHADHM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(F)cc1 ZINC000337163301 527248700 /nfs/dbraw/zinc/24/87/00/527248700.db2.gz WMUMEPJWFUKLAQ-UHFFFAOYSA-N -1 3 309.337 3.643 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(F)cc1Cl ZINC000336884241 527532970 /nfs/dbraw/zinc/53/29/70/527532970.db2.gz HSMHHHWDOUXXSH-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000273485905 535146940 /nfs/dbraw/zinc/14/69/40/535146940.db2.gz NZDLKQKKJPFFQQ-UHFFFAOYSA-N -1 3 320.418 3.697 20 0 DHADHM CC(C)c1cc(C(=O)N(C)c2ccn(C)n2)c([O-])c(C(C)C)c1 ZINC000274817104 535344606 /nfs/dbraw/zinc/34/46/06/535344606.db2.gz RSYGEANWJNOTLB-UHFFFAOYSA-N -1 3 315.417 3.649 20 0 DHADHM CCc1cc(C(=O)NCCc2csc(C(C)C)n2)ccc1[O-] ZINC000291482988 536122122 /nfs/dbraw/zinc/12/21/22/536122122.db2.gz KTSPAPYJDLNGHH-UHFFFAOYSA-N -1 3 318.442 3.507 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc2ccccc2c1 ZINC000737295992 598858181 /nfs/dbraw/zinc/85/81/81/598858181.db2.gz DPGSTQOCWHCJCZ-UHFFFAOYSA-N -1 3 315.380 3.940 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc2ccccc2c1 ZINC000737295992 598858184 /nfs/dbraw/zinc/85/81/84/598858184.db2.gz DPGSTQOCWHCJCZ-UHFFFAOYSA-N -1 3 315.380 3.940 20 0 DHADHM Cc1cc(C)c(C)c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737245494 598935934 /nfs/dbraw/zinc/93/59/34/598935934.db2.gz DFKNZMABJHPIPL-UHFFFAOYSA-N -1 3 315.764 3.633 20 0 DHADHM Cc1cc(C)c(C)c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737245494 598935935 /nfs/dbraw/zinc/93/59/35/598935935.db2.gz DFKNZMABJHPIPL-UHFFFAOYSA-N -1 3 315.764 3.633 20 0 DHADHM Clc1cc(-c2nnn[n-]2)cnc1SCC1CCCCC1 ZINC000737558878 598940290 /nfs/dbraw/zinc/94/02/90/598940290.db2.gz QDTSBAHSVLPDHJ-UHFFFAOYSA-N -1 3 309.826 3.588 20 0 DHADHM Clc1cc(-c2nn[n-]n2)cnc1SCC1CCCCC1 ZINC000737558878 598940291 /nfs/dbraw/zinc/94/02/91/598940291.db2.gz QDTSBAHSVLPDHJ-UHFFFAOYSA-N -1 3 309.826 3.588 20 0 DHADHM Fc1cccc(Cl)c1CSc1ccccc1-c1nnn[n-]1 ZINC000737659500 599110956 /nfs/dbraw/zinc/11/09/56/599110956.db2.gz DQFGVCWBSFZPNP-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cccc(Cl)c1CSc1ccccc1-c1nn[n-]n1 ZINC000737659500 599110958 /nfs/dbraw/zinc/11/09/58/599110958.db2.gz DQFGVCWBSFZPNP-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM CC(C)(C)C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000735594315 599119169 /nfs/dbraw/zinc/11/91/69/599119169.db2.gz QTXLNXBQDAMIHK-OAHLLOKOSA-N -1 3 322.416 3.851 20 0 DHADHM CC(C)(C)C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000735594315 599119171 /nfs/dbraw/zinc/11/91/71/599119171.db2.gz QTXLNXBQDAMIHK-OAHLLOKOSA-N -1 3 322.416 3.851 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533202794 597085772 /nfs/dbraw/zinc/08/57/72/597085772.db2.gz ZJUFIWBGLPYMQL-UONOGXRCSA-N -1 3 314.385 3.589 20 0 DHADHM Cc1cc(C)c(CNc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737247235 598242759 /nfs/dbraw/zinc/24/27/59/598242759.db2.gz TXLRFXMOVZCWEF-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cccc(N(Cc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000737395734 598354869 /nfs/dbraw/zinc/35/48/69/598354869.db2.gz GISKLBXBEJYVST-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1cccc(N(Cc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000737395734 598354871 /nfs/dbraw/zinc/35/48/71/598354871.db2.gz GISKLBXBEJYVST-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737253028 598426425 /nfs/dbraw/zinc/42/64/25/598426425.db2.gz NXAZFSAWCGZMNX-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM c1ccc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738425784 598459794 /nfs/dbraw/zinc/45/97/94/598459794.db2.gz AYPBZLIBWBKERS-INIZCTEOSA-N -1 3 319.412 3.641 20 0 DHADHM O=C1CCCCC[C@H]1Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826480145 607845951 /nfs/dbraw/zinc/84/59/51/607845951.db2.gz RWJOOHQDCXSLRK-CYBMUJFWSA-N -1 3 322.821 3.514 20 0 DHADHM O=C1CCCCC[C@H]1Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826480145 607845952 /nfs/dbraw/zinc/84/59/52/607845952.db2.gz RWJOOHQDCXSLRK-CYBMUJFWSA-N -1 3 322.821 3.514 20 0 DHADHM CCc1c(C)sc(NC(=O)CC(C)(C)CC)c1-c1nn[n-]n1 ZINC000821465388 599689869 /nfs/dbraw/zinc/68/98/69/599689869.db2.gz GEFRDXHFCIBUKA-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460712 599376430 /nfs/dbraw/zinc/37/64/30/599376430.db2.gz AGEAJFMYQICBJR-LLVKDONJSA-N -1 3 304.357 3.521 20 0 DHADHM C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460712 599376433 /nfs/dbraw/zinc/37/64/33/599376433.db2.gz AGEAJFMYQICBJR-LLVKDONJSA-N -1 3 304.357 3.521 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736065901 599415954 /nfs/dbraw/zinc/41/59/54/599415954.db2.gz HMQFRSAAMNCVHL-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](Cc1ccsc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736065901 599415955 /nfs/dbraw/zinc/41/59/55/599415955.db2.gz HMQFRSAAMNCVHL-VIFPVBQESA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736136229 599431452 /nfs/dbraw/zinc/43/14/52/599431452.db2.gz FHILYZRAOWFLHN-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736136229 599431453 /nfs/dbraw/zinc/43/14/53/599431453.db2.gz FHILYZRAOWFLHN-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820254626 599464975 /nfs/dbraw/zinc/46/49/75/599464975.db2.gz SHHMREKXFNWGCD-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820254626 599464977 /nfs/dbraw/zinc/46/49/77/599464977.db2.gz SHHMREKXFNWGCD-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000736193341 599532159 /nfs/dbraw/zinc/53/21/59/599532159.db2.gz PHMULJHZUBZLLW-QMMMGPOBSA-N -1 3 306.391 3.921 20 0 DHADHM CCc1c(C)sc(NC(=O)CC(C)(C)CC)c1-c1nnn[n-]1 ZINC000821465388 599689868 /nfs/dbraw/zinc/68/98/68/599689868.db2.gz GEFRDXHFCIBUKA-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM Cc1ccc([C@@H](NCC(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000738261547 599854847 /nfs/dbraw/zinc/85/48/47/599854847.db2.gz NXRARQWXEWSJTJ-MRXNPFEDSA-N -1 3 307.752 3.551 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1ccsc1 ZINC000517575629 600085176 /nfs/dbraw/zinc/08/51/76/600085176.db2.gz KFLKJKGFFBOJSI-OAHLLOKOSA-N -1 3 305.374 3.923 20 0 DHADHM CCCN(CCCC(=O)[O-])Cc1ccccc1Br ZINC000737020919 600227176 /nfs/dbraw/zinc/22/71/76/600227176.db2.gz NFOMQSRDGXNMMI-UHFFFAOYSA-N -1 3 314.223 3.526 20 0 DHADHM CCC[C@@](C)(NCc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000736962724 600323082 /nfs/dbraw/zinc/32/30/82/600323082.db2.gz MXXVBRGYSFKEMH-MRXNPFEDSA-N -1 3 322.405 3.682 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000736661983 600416884 /nfs/dbraw/zinc/41/68/84/600416884.db2.gz KJAZCHGXQQYYQZ-VFZGTOFNSA-N -1 3 309.287 3.580 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000739499402 600433788 /nfs/dbraw/zinc/43/37/88/600433788.db2.gz JKYSLNCEZYNMAH-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM Cc1ccc([C@H]2CCCCCN2Cc2occc2C(=O)[O-])o1 ZINC000574579027 600442333 /nfs/dbraw/zinc/44/23/33/600442333.db2.gz XAGTVOOMXFBURI-CQSZACIVSA-N -1 3 303.358 3.997 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736951765 600908176 /nfs/dbraw/zinc/90/81/76/600908176.db2.gz XOXZBBLUZQZLHU-OAHLLOKOSA-N -1 3 301.411 3.956 20 0 DHADHM Cc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000832871692 601370128 /nfs/dbraw/zinc/37/01/28/601370128.db2.gz VOVQORFIRKTYGI-MEDUHNTESA-N -1 3 305.324 3.750 20 0 DHADHM C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000828461935 601538566 /nfs/dbraw/zinc/53/85/66/601538566.db2.gz FODMDJDQDLAVGK-RYUDHWBXSA-N -1 3 316.426 3.596 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1nc2ccccc2c(C)c1Cl ZINC000828673017 601555052 /nfs/dbraw/zinc/55/50/52/601555052.db2.gz ZFFRQNMJKSKFMN-KRWDZBQOSA-N -1 3 320.820 3.930 20 0 DHADHM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000828295550 601566189 /nfs/dbraw/zinc/56/61/89/601566189.db2.gz JPUDHUZFSFZLRH-NEPJUHHUSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000826053413 601656491 /nfs/dbraw/zinc/65/64/91/601656491.db2.gz IXBPKIKPIUAZAJ-IFXJQAMLSA-N -1 3 320.392 3.786 20 0 DHADHM COCCN(Cc1ccsc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000831741199 601810605 /nfs/dbraw/zinc/81/06/05/601810605.db2.gz MBERCCWYVSATPC-ZDUSSCGKSA-N -1 3 319.426 3.656 20 0 DHADHM Cc1ccccc1CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832979799 601900117 /nfs/dbraw/zinc/90/01/17/601900117.db2.gz SEAXAEUWFCKRPX-MRXNPFEDSA-N -1 3 323.314 3.670 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133613 601919636 /nfs/dbraw/zinc/91/96/36/601919636.db2.gz RIMCFVGILURIRE-KBPBESRZSA-N -1 3 313.850 3.683 20 0 DHADHM CC(C)N(Cc1ccc(C(=O)[O-])s1)Cc1cccc(F)c1 ZINC000826951484 601945240 /nfs/dbraw/zinc/94/52/40/601945240.db2.gz KGPMGIBBGNTGID-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC(C)(C)C)CC1 ZINC000833032520 602334404 /nfs/dbraw/zinc/33/44/04/602334404.db2.gz IWQQJDMFKSDJLL-UHFFFAOYSA-N -1 3 311.447 3.534 20 0 DHADHM CC(C)c1ccc([C@@H](CNCc2ccoc2)NC(=O)[O-])cc1 ZINC000738884045 602335418 /nfs/dbraw/zinc/33/54/18/602335418.db2.gz VKFHKTDJWUEFQU-MRXNPFEDSA-N -1 3 302.374 3.502 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739029152 602451167 /nfs/dbraw/zinc/45/11/67/602451167.db2.gz SXAWZEUBCOPBBT-NWDGAFQWSA-N -1 3 310.825 3.769 20 0 DHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(-c2ccccc2)o1 ZINC000827717205 604292584 /nfs/dbraw/zinc/29/25/84/604292584.db2.gz FKFJURKGHPYUQB-DZGCQCFKSA-N -1 3 314.385 3.740 20 0 DHADHM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)s1 ZINC000263399420 604524664 /nfs/dbraw/zinc/52/46/64/604524664.db2.gz HPUHCVHFJCNPFA-AWEZNQCLSA-N -1 3 305.374 3.603 20 0 DHADHM CC(C)CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1F ZINC000833486559 604557882 /nfs/dbraw/zinc/55/78/82/604557882.db2.gz MRGHKFFTUPZCSM-UHFFFAOYSA-N -1 3 304.365 3.510 20 0 DHADHM C[C@]1(NCc2ncc(-c3cccs3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569897 604811994 /nfs/dbraw/zinc/81/19/94/604811994.db2.gz QHPNSMOBAAQQKD-BZNIZROVSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@@H](NC1CCN(C(=O)[O-])CC1)c1cc(Cl)sc1Cl ZINC000825478207 604980825 /nfs/dbraw/zinc/98/08/25/604980825.db2.gz FQDUGGCWGXOWCA-SSDOTTSWSA-N -1 3 323.245 3.848 20 0 DHADHM CC(C)Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826913432 604985378 /nfs/dbraw/zinc/98/53/78/604985378.db2.gz WBOJQFWOTKLXJQ-KDOFPFPSSA-N -1 3 312.413 3.757 20 0 DHADHM CC(C)Oc1cccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000652437619 605051306 /nfs/dbraw/zinc/05/13/06/605051306.db2.gz YURPGAYBILAVEX-ZDUSSCGKSA-N -1 3 317.385 3.958 20 0 DHADHM CC(C)(C)c1nc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC000833450655 605060951 /nfs/dbraw/zinc/06/09/51/605060951.db2.gz HFSPFMVCSQWIKE-LRDDRELGSA-N -1 3 310.463 3.564 20 0 DHADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833548039 605062535 /nfs/dbraw/zinc/06/25/35/605062535.db2.gz KNFKIPIMCFLGFQ-GFCCVEGCSA-N -1 3 319.351 3.785 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1ccc(OC)cc1 ZINC000833681185 605063985 /nfs/dbraw/zinc/06/39/85/605063985.db2.gz WLWQLXBLUGIIFP-HNNXBMFYSA-N -1 3 317.385 3.790 20 0 DHADHM C[C@H]1CCN(Cc2ccccc2CC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000833616376 605072065 /nfs/dbraw/zinc/07/20/65/605072065.db2.gz SLNBEQHYBPTBLP-WMLDXEAASA-N -1 3 313.397 3.880 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000833415769 605183698 /nfs/dbraw/zinc/18/36/98/605183698.db2.gz VAIKQOAMKTXOQM-MRXNPFEDSA-N -1 3 319.351 3.907 20 0 DHADHM C[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000565486560 605205920 /nfs/dbraw/zinc/20/59/20/605205920.db2.gz MTHVXSDSLYLTPB-ZDUSSCGKSA-N -1 3 314.385 3.662 20 0 DHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000833606714 605703553 /nfs/dbraw/zinc/70/35/53/605703553.db2.gz URVLOUUABZYHCI-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833669419 605835583 /nfs/dbraw/zinc/83/55/83/605835583.db2.gz WUNCYFAWIJPLCM-KGLIPLIRSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2c1 ZINC000820456885 606026485 /nfs/dbraw/zinc/02/64/85/606026485.db2.gz WXYZZKNGDYQYPL-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC000820456885 606026491 /nfs/dbraw/zinc/02/64/91/606026491.db2.gz WXYZZKNGDYQYPL-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1csc2ccccc12 ZINC000820457248 606077334 /nfs/dbraw/zinc/07/73/34/606077334.db2.gz ZDPNUWLJGCZDKZ-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1csc2ccccc12 ZINC000820457248 606077338 /nfs/dbraw/zinc/07/73/38/606077338.db2.gz ZDPNUWLJGCZDKZ-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM COc1cccc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821858956 606360797 /nfs/dbraw/zinc/36/07/97/606360797.db2.gz JJUSKZLFAXNTSU-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821858956 606360799 /nfs/dbraw/zinc/36/07/99/606360799.db2.gz JJUSKZLFAXNTSU-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM Fc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822774781 606633028 /nfs/dbraw/zinc/63/30/28/606633028.db2.gz OFMAPUYLXMUARM-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822774781 606633029 /nfs/dbraw/zinc/63/30/29/606633029.db2.gz OFMAPUYLXMUARM-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM CCCc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821141947 606927191 /nfs/dbraw/zinc/92/71/91/606927191.db2.gz AEIGHMQWYCDTTE-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCCc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821141947 606927193 /nfs/dbraw/zinc/92/71/93/606927193.db2.gz AEIGHMQWYCDTTE-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820557338 607011477 /nfs/dbraw/zinc/01/14/77/607011477.db2.gz YOFWYSXQCYLCFU-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820557338 607011479 /nfs/dbraw/zinc/01/14/79/607011479.db2.gz YOFWYSXQCYLCFU-JTQLQIEISA-N -1 3 300.362 3.859 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819906021 607188905 /nfs/dbraw/zinc/18/89/05/607188905.db2.gz AJWOBSUPJFTFRM-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819906021 607188906 /nfs/dbraw/zinc/18/89/06/607188906.db2.gz AJWOBSUPJFTFRM-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824756307 607844360 /nfs/dbraw/zinc/84/43/60/607844360.db2.gz NVSZWWNGNQXOEJ-YFKPBYRVSA-N -1 3 308.716 3.563 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824756307 607844361 /nfs/dbraw/zinc/84/43/61/607844361.db2.gz NVSZWWNGNQXOEJ-YFKPBYRVSA-N -1 3 308.716 3.563 20 0 DHADHM Clc1ccc2oc(C=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826352867 607883519 /nfs/dbraw/zinc/88/35/19/607883519.db2.gz QTWRTQWUBJUVHM-VMPITWQZSA-N -1 3 323.743 3.832 20 0 DHADHM Clc1ccc2oc(C=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826352867 607883520 /nfs/dbraw/zinc/88/35/20/607883520.db2.gz QTWRTQWUBJUVHM-VMPITWQZSA-N -1 3 323.743 3.832 20 0 DHADHM CC(C)c1cc(Oc2ccc(-c3nnn[n-]3)cc2)nc(C(C)C)n1 ZINC000824347903 608046181 /nfs/dbraw/zinc/04/61/81/608046181.db2.gz RXXQZIDGWNSZPN-UHFFFAOYSA-N -1 3 324.388 3.696 20 0 DHADHM CC(C)c1cc(Oc2ccc(-c3nn[n-]n3)cc2)nc(C(C)C)n1 ZINC000824347903 608046182 /nfs/dbraw/zinc/04/61/82/608046182.db2.gz RXXQZIDGWNSZPN-UHFFFAOYSA-N -1 3 324.388 3.696 20 0 DHADHM Cc1cccnc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826308893 608219047 /nfs/dbraw/zinc/21/90/47/608219047.db2.gz UTJZNHDFYRHOHU-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1cccnc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826308893 608219048 /nfs/dbraw/zinc/21/90/48/608219048.db2.gz UTJZNHDFYRHOHU-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000826274864 608300408 /nfs/dbraw/zinc/30/04/08/608300408.db2.gz HHTXVHUNUGGCLK-ZBEGNZNMSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000826274864 608300410 /nfs/dbraw/zinc/30/04/10/608300410.db2.gz HHTXVHUNUGGCLK-ZBEGNZNMSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccc2oc(CNc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826295547 608868604 /nfs/dbraw/zinc/86/86/04/608868604.db2.gz MEBKCZMQLQBABB-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1F ZINC000826271143 609252171 /nfs/dbraw/zinc/25/21/71/609252171.db2.gz FLVFGTNDTBNITP-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1F ZINC000826271143 609252173 /nfs/dbraw/zinc/25/21/73/609252173.db2.gz FLVFGTNDTBNITP-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826291682 609267303 /nfs/dbraw/zinc/26/73/03/609267303.db2.gz QTZQAMURNVDMAB-SFHVURJKSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826291682 609267304 /nfs/dbraw/zinc/26/73/04/609267304.db2.gz QTZQAMURNVDMAB-SFHVURJKSA-N -1 3 319.412 3.973 20 0 DHADHM FC(F)(F)c1cc(SC/C=C\Cl)ccc1-c1nnn[n-]1 ZINC000826368521 609451103 /nfs/dbraw/zinc/45/11/03/609451103.db2.gz SOJXLUYOPNCJHG-RJRFIUFISA-N -1 3 320.727 3.730 20 0 DHADHM FC(F)(F)c1cc(SC/C=C\Cl)ccc1-c1nn[n-]n1 ZINC000826368521 609451104 /nfs/dbraw/zinc/45/11/04/609451104.db2.gz SOJXLUYOPNCJHG-RJRFIUFISA-N -1 3 320.727 3.730 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000824756820 946926159 /nfs/dbraw/zinc/92/61/59/946926159.db2.gz PZCLVVBIMMBOSW-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000824756820 946926169 /nfs/dbraw/zinc/92/61/69/946926169.db2.gz PZCLVVBIMMBOSW-SECBINFHSA-N -1 3 317.805 3.768 20 0 DHADHM FC(F)(F)CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826368036 948149274 /nfs/dbraw/zinc/14/92/74/948149274.db2.gz ZOVAGYCLYKSVHL-UHFFFAOYSA-N -1 3 308.716 3.565 20 0 DHADHM FC(F)(F)CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826368036 948149280 /nfs/dbraw/zinc/14/92/80/948149280.db2.gz ZOVAGYCLYKSVHL-UHFFFAOYSA-N -1 3 308.716 3.565 20 0 DHADHM c1cc(CCCSc2ccccc2-c2nnn[n-]2)cs1 ZINC000826519859 948449219 /nfs/dbraw/zinc/44/92/19/948449219.db2.gz REVKYWMPJLVNHX-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM c1cc(CCCSc2ccccc2-c2nn[n-]n2)cs1 ZINC000826519859 948449222 /nfs/dbraw/zinc/44/92/22/948449222.db2.gz REVKYWMPJLVNHX-UHFFFAOYSA-N -1 3 302.428 3.653 20 0 DHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263380827 950423426 /nfs/dbraw/zinc/42/34/26/950423426.db2.gz BORCRAWRFJSBEV-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM O=C([O-])c1cccc(CNCc2ccccc2C(F)(F)F)c1 ZINC000318200900 950922908 /nfs/dbraw/zinc/92/29/08/950922908.db2.gz WHUDPHZJANOSFM-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM CCC(CC)N(CCOC)Cc1cccc(C(=O)[O-])c1Cl ZINC000381479768 971761482 /nfs/dbraw/zinc/76/14/82/971761482.db2.gz AFAIGCZCFBOAGC-UHFFFAOYSA-N -1 3 313.825 3.675 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C[C@H]1C(=O)[O-] ZINC000567352079 953632083 /nfs/dbraw/zinc/63/20/83/953632083.db2.gz NXPBFNFDCNXBQQ-CZUORRHYSA-N -1 3 315.369 3.615 20 0 DHADHM CC(C)Cc1ccc(CCC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000777973919 1032061957 /nfs/dbraw/zinc/06/19/57/1032061957.db2.gz UFMDGJKMRVJKOV-UHFFFAOYSA-N -1 3 317.351 3.818 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC001594844280 954118116 /nfs/dbraw/zinc/11/81/16/954118116.db2.gz TVRSOYUNUHZXNV-CQSZACIVSA-N -1 3 309.287 3.679 20 0 DHADHM CC[C@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000903704379 956894711 /nfs/dbraw/zinc/89/47/11/956894711.db2.gz HBJMMEJTWZPBIJ-SNVBAGLBSA-N -1 3 324.833 3.664 20 0 DHADHM O=C([O-])[C@@H](NCc1ccsc1C(F)(F)F)c1ccccc1 ZINC001574748436 957717312 /nfs/dbraw/zinc/71/73/12/957717312.db2.gz WSYLBPOWODCNCW-NSHDSACASA-N -1 3 315.316 3.682 20 0 DHADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129368259 958699701 /nfs/dbraw/zinc/69/97/01/958699701.db2.gz SOXQKXIVKFMSDG-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1cccc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC001594398212 958795591 /nfs/dbraw/zinc/79/55/91/958795591.db2.gz UIACTULLNIPISI-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])c1 ZINC001594398543 958807497 /nfs/dbraw/zinc/80/74/97/958807497.db2.gz XMTNDBCXUQGOMA-OAHLLOKOSA-N -1 3 321.323 3.512 20 0 DHADHM CSc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594196279 959196838 /nfs/dbraw/zinc/19/68/38/959196838.db2.gz JUZXCCXXDKPFOP-UHFFFAOYSA-N -1 3 301.411 3.739 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cnn[n-]1 ZINC000047623598 1013238935 /nfs/dbraw/zinc/23/89/35/1013238935.db2.gz YXIUGQJJGFEBRK-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1c[n-]nn1 ZINC000047623598 1013238945 /nfs/dbraw/zinc/23/89/45/1013238945.db2.gz YXIUGQJJGFEBRK-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cn[n-]n1 ZINC000047623598 1013238955 /nfs/dbraw/zinc/23/89/55/1013238955.db2.gz YXIUGQJJGFEBRK-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM C[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001332232496 961542021 /nfs/dbraw/zinc/54/20/21/961542021.db2.gz QLJOJLWIUCXQRQ-DGCLKSJQSA-N -1 3 321.726 3.740 20 0 DHADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCC[C@@H]1C ZINC000340130962 1013334128 /nfs/dbraw/zinc/33/41/28/1013334128.db2.gz MBONIOZSDFZDTI-GUYCJALGSA-N -1 3 312.413 3.569 20 0 DHADHM O=C([O-])C[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 ZINC001574679993 962575256 /nfs/dbraw/zinc/57/52/56/962575256.db2.gz MVUYSPPQDLXVLK-LLVKDONJSA-N -1 3 316.228 3.723 20 0 DHADHM CC(C)Cc1coc([N-]C(=O)c2scnc2C(F)(F)F)n1 ZINC000894437738 1013362835 /nfs/dbraw/zinc/36/28/35/1013362835.db2.gz CLXSCDUHIICRMR-UHFFFAOYSA-N -1 3 319.308 3.601 20 0 DHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccoc1Cl ZINC000683380317 1013369250 /nfs/dbraw/zinc/36/92/50/1013369250.db2.gz NIJODCMMCWVKLD-UHFFFAOYSA-N -1 3 319.773 3.628 20 0 DHADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc([O-])ccc1Cl ZINC000340161776 1013378043 /nfs/dbraw/zinc/37/80/43/1013378043.db2.gz LEHQSRZXKSTJLI-LBPRGKRZSA-N -1 3 301.773 3.505 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2ccc(F)cc2c1 ZINC000340330571 1013497874 /nfs/dbraw/zinc/49/78/74/1013497874.db2.gz OXEVEDSYSMLQIJ-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1cccc(F)c1 ZINC000426768267 1013502737 /nfs/dbraw/zinc/50/27/37/1013502737.db2.gz WUCYBLPLSFCFLD-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(c3ccsc3)CC2)s1 ZINC000519605949 1013528215 /nfs/dbraw/zinc/52/82/15/1013528215.db2.gz MEYWLBAMDGPWOE-UHFFFAOYSA-N -1 3 307.440 3.887 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2[O-])C1 ZINC000187970896 1013550313 /nfs/dbraw/zinc/55/03/13/1013550313.db2.gz FIYPYLOTTJUQHR-KGLIPLIRSA-N -1 3 307.459 3.701 20 0 DHADHM [O-]c1coc2cc(OCc3ccccc3C(F)(F)F)ccc12 ZINC000389015824 1013703452 /nfs/dbraw/zinc/70/34/52/1013703452.db2.gz KSPRNXCBPWFGOZ-UHFFFAOYSA-N -1 3 308.255 3.860 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210223553 1013715347 /nfs/dbraw/zinc/71/53/47/1013715347.db2.gz ZGTPHWQPEFIQMA-UHFFFAOYSA-N -1 3 316.788 3.912 20 0 DHADHM Cc1ccc(-c2nc(CNC[C@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000277184184 967904562 /nfs/dbraw/zinc/90/45/62/967904562.db2.gz FMDHISUAGBXUCA-HNNXBMFYSA-N -1 3 318.442 3.565 20 0 DHADHM COc1ccccc1/C(C)=C\C(=O)Nc1cccc([O-])c1F ZINC000255129762 1013845462 /nfs/dbraw/zinc/84/54/62/1013845462.db2.gz LIGNITBNXGUKCN-KHPPLWFESA-N -1 3 301.317 3.582 20 0 DHADHM [O-]c1cccc2sc(Nc3cncc(N4CCCC4)c3)nc21 ZINC001210606105 1013972997 /nfs/dbraw/zinc/97/29/97/1013972997.db2.gz QMXHEDLAPVPSKO-UHFFFAOYSA-N -1 3 312.398 3.741 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3n(n2)CCCC3)CC)n1 ZINC000656104762 1013998224 /nfs/dbraw/zinc/99/82/24/1013998224.db2.gz DGVKTUYNLOITSJ-JLHYYAGUSA-N -1 3 312.417 3.618 20 0 DHADHM CC(C)c1cc2ncc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855522 1014073805 /nfs/dbraw/zinc/07/38/05/1014073805.db2.gz TTZVGSNQSGITOS-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM COC(Cc1ccc(Nc2cccc([O-])c2Cl)cc1)OC ZINC001210859736 1014074174 /nfs/dbraw/zinc/07/41/74/1014074174.db2.gz LWUJQCLNUOEGPU-UHFFFAOYSA-N -1 3 307.777 3.951 20 0 DHADHM CC1(C)NC(=O)Cc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210859761 1014074577 /nfs/dbraw/zinc/07/45/77/1014074577.db2.gz NFJGCBJJKOMEHN-UHFFFAOYSA-N -1 3 316.788 3.697 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCc1c(Cl)cccc1Cl ZINC001603391628 973013886 /nfs/dbraw/zinc/01/38/86/973013886.db2.gz NBUBKFAYEWIKTE-MNOVXSKESA-N -1 3 316.228 3.721 20 0 DHADHM COc1ccc(C(C)C)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000656190742 1014100355 /nfs/dbraw/zinc/10/03/55/1014100355.db2.gz OZLWRTUIATVPHY-MRXNPFEDSA-N -1 3 317.429 3.505 20 0 DHADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])C(C)(C)C ZINC000580486355 1014168290 /nfs/dbraw/zinc/16/82/90/1014168290.db2.gz AZVRJTKKSIWRPD-MRVPVSSYSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cn2)cc1C ZINC000518990505 974326304 /nfs/dbraw/zinc/32/63/04/974326304.db2.gz JNNQBBMTDZAOJV-SFHVURJKSA-N -1 3 310.397 3.734 20 0 DHADHM O=C([O-])c1ccc(F)c2c1CN([C@H]1C=CCCCCC1)CC2 ZINC000530170631 974361162 /nfs/dbraw/zinc/36/11/62/974361162.db2.gz ULJRKSHFZBDJSW-ZDUSSCGKSA-N -1 3 303.377 3.771 20 0 DHADHM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000565112021 974574756 /nfs/dbraw/zinc/57/47/56/974574756.db2.gz OVPZNQMUSJYJNX-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000566361736 974609357 /nfs/dbraw/zinc/60/93/57/974609357.db2.gz MSUGIWATWCRJQD-LLVKDONJSA-N -1 3 321.364 3.857 20 0 DHADHM CCCCO[C@@H]1C[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(C)C ZINC000566803006 974621778 /nfs/dbraw/zinc/62/17/78/974621778.db2.gz QXLMXVIWUHIPQG-LSDHHAIUSA-N -1 3 323.433 3.702 20 0 DHADHM CCOc1ccc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000569981418 974703041 /nfs/dbraw/zinc/70/30/41/974703041.db2.gz CHZKYOZFAVQVTN-LBPRGKRZSA-N -1 3 303.358 3.570 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccccc1Cl ZINC000573379800 974764575 /nfs/dbraw/zinc/76/45/75/974764575.db2.gz RSJCKLJKQVGKRZ-LLVKDONJSA-N -1 3 323.776 3.703 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1CC1CCCC1 ZINC000655366898 1014217609 /nfs/dbraw/zinc/21/76/09/1014217609.db2.gz KCVXOMBMGHVWEU-HNNXBMFYSA-N -1 3 324.424 3.713 20 0 DHADHM C[C@@H]1CCC[C@H](CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000652470368 975542988 /nfs/dbraw/zinc/54/29/88/975542988.db2.gz VJSJDOCXRDKRKV-RKVPGOIHSA-N -1 3 301.430 3.887 20 0 DHADHM O=C([O-])c1coc(CN2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC000652507841 975568073 /nfs/dbraw/zinc/56/80/73/975568073.db2.gz OVSSYWOGAJOONK-OAHLLOKOSA-N -1 3 317.360 3.714 20 0 DHADHM Cc1cccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1F ZINC000417558873 1014313822 /nfs/dbraw/zinc/31/38/22/1014313822.db2.gz GUXFSWJBKDFJIG-GUYCJALGSA-N -1 3 301.361 3.686 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000190666509 1014332648 /nfs/dbraw/zinc/33/26/48/1014332648.db2.gz MQYLFWXFGJKXJE-ZDUSSCGKSA-N -1 3 315.335 3.751 20 0 DHADHM CC(C)c1ccc2c(c1)[C@@H](N[C@H](C(=O)[O-])c1cccnc1)CCC2 ZINC001591981701 976599214 /nfs/dbraw/zinc/59/92/14/976599214.db2.gz YKWZZIGDNFQOBG-OALUTQOASA-N -1 3 324.424 3.998 20 0 DHADHM Cc1cscc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000427607320 1014379230 /nfs/dbraw/zinc/37/92/30/1014379230.db2.gz SHQYHMHWVZJCJT-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1ccc(CF)cc1)c1cccc(F)c1 ZINC001592327521 977741164 /nfs/dbraw/zinc/74/11/64/977741164.db2.gz CEBHJEPVXAQIDV-GOSISDBHSA-N -1 3 319.351 3.775 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1ccc(C2CCC2)cc1)c1ccncc1 ZINC001592328610 977748742 /nfs/dbraw/zinc/74/87/42/977748742.db2.gz NFGIJLMPWIXVAA-HXUWFJFHSA-N -1 3 324.424 3.829 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1F ZINC000756332236 978697793 /nfs/dbraw/zinc/69/77/93/978697793.db2.gz GNQFPVDYTKIXIY-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM C/C(=C\CN1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000825733866 978941073 /nfs/dbraw/zinc/94/10/73/978941073.db2.gz GHGPLFKLTOPVOS-WUXMJOGZSA-N -1 3 316.426 3.507 20 0 DHADHM CCC(CC)n1ccc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000581089928 1014550576 /nfs/dbraw/zinc/55/05/76/1014550576.db2.gz VJYRBFIEIIJBKK-UHFFFAOYSA-N -1 3 307.781 3.856 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(Cl)cc2)CC1 ZINC000128228931 1014558870 /nfs/dbraw/zinc/55/88/70/1014558870.db2.gz AYZWIVXRGREOQF-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM CC[C@](NCc1cccnc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874232 980588696 /nfs/dbraw/zinc/58/86/96/980588696.db2.gz XKVUGRZZQLKLPU-QGZVFWFLSA-N -1 3 318.804 3.523 20 0 DHADHM C[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912738 980625324 /nfs/dbraw/zinc/62/53/24/980625324.db2.gz RKCJVZDHTDTFMP-NXEZZACHSA-N -1 3 324.833 3.777 20 0 DHADHM CC1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000902058423 980715790 /nfs/dbraw/zinc/71/57/90/980715790.db2.gz UERAIXYHEPYOOX-UHFFFAOYSA-N -1 3 301.308 3.636 20 0 DHADHM CN(CCCCc1ccccc1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902140517 980753645 /nfs/dbraw/zinc/75/36/45/980753645.db2.gz HCOSEUUEYKOORL-SEYXRHQNSA-N -1 3 313.397 3.832 20 0 DHADHM CCc1oc(CNCCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000902145119 980756159 /nfs/dbraw/zinc/75/61/59/980756159.db2.gz VOTNZVKTPDYBCM-UHFFFAOYSA-N -1 3 313.806 3.587 20 0 DHADHM CC[C@H](c1ccccc1)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001595363301 980780699 /nfs/dbraw/zinc/78/06/99/980780699.db2.gz DMSGMYRRKFNRCV-QGZVFWFLSA-N -1 3 311.381 3.731 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000902305257 980825333 /nfs/dbraw/zinc/82/53/33/980825333.db2.gz QAYSKHXFZMCKML-SNVBAGLBSA-N -1 3 321.446 3.557 20 0 DHADHM Cc1cc(CNC[C@@H](C)Sc2ccccc2)oc1C(=O)[O-] ZINC000902317369 980829966 /nfs/dbraw/zinc/82/99/66/980829966.db2.gz NLSLLBPXMCGRJG-GFCCVEGCSA-N -1 3 305.399 3.557 20 0 DHADHM CCC1(CC)CN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC001595375364 980894796 /nfs/dbraw/zinc/89/47/96/980894796.db2.gz HMCSVTCQIQRNPH-LBPRGKRZSA-N -1 3 311.447 3.955 20 0 DHADHM Cc1ccc(F)c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1F ZINC000903603780 980985026 /nfs/dbraw/zinc/98/50/26/980985026.db2.gz ODWMSAGZLYNNND-LBPRGKRZSA-N -1 3 311.372 3.596 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000903683369 981012723 /nfs/dbraw/zinc/01/27/23/981012723.db2.gz LQXHDHHMSNWEHC-SNVBAGLBSA-N -1 3 321.446 3.557 20 0 DHADHM CCC[C@@H](C)CCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958994 981076075 /nfs/dbraw/zinc/07/60/75/981076075.db2.gz UJVFCFKVKVGIGC-CQSZACIVSA-N -1 3 305.418 3.796 20 0 DHADHM CCC[C@H](C)CCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958993 981076155 /nfs/dbraw/zinc/07/61/55/981076155.db2.gz UJVFCFKVKVGIGC-AWEZNQCLSA-N -1 3 305.418 3.796 20 0 DHADHM CC(C)(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000521462160 1014708656 /nfs/dbraw/zinc/70/86/56/1014708656.db2.gz DCWCQFVQNOEUPR-KRWDZBQOSA-N -1 3 312.413 3.685 20 0 DHADHM O=C(Nc1ccc2ccoc2c1)c1c[n-]c2ccccc2c1=O ZINC000442806607 1014734335 /nfs/dbraw/zinc/73/43/35/1014734335.db2.gz BOTOIMMMWZRJJH-UHFFFAOYSA-N -1 3 304.305 3.527 20 0 DHADHM CCC[C@H]1[C@@H](C)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595619768 981681704 /nfs/dbraw/zinc/68/17/04/981681704.db2.gz NXUNESDZHKALGC-LRDDRELGSA-N -1 3 315.417 3.662 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(C2CCC2)cc1)c1ccncc1 ZINC000656568396 1014877576 /nfs/dbraw/zinc/87/75/76/1014877576.db2.gz FVNIFWSUTWBHRU-SFHVURJKSA-N -1 3 310.397 3.655 20 0 DHADHM O=C(/C=C\c1ccco1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000255309841 1014914347 /nfs/dbraw/zinc/91/43/47/1014914347.db2.gz UUQWBIUUKAHZFT-FPLPWBNLSA-N -1 3 311.259 3.560 20 0 DHADHM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000255343849 1015143895 /nfs/dbraw/zinc/14/38/95/1015143895.db2.gz BSYNCEJBQHWACD-ALCCZGGFSA-N -1 3 320.389 3.937 20 0 DHADHM CCc1cccc2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)oc21 ZINC000656771854 1015144674 /nfs/dbraw/zinc/14/46/74/1015144674.db2.gz LEQQTCKHXFVONB-AWEZNQCLSA-N -1 3 313.357 3.842 20 0 DHADHM Cc1[nH]c(CN[C@@H]2CCCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC001599963933 985856850 /nfs/dbraw/zinc/85/68/50/985856850.db2.gz UKNSQZOOBPRVTN-MRXNPFEDSA-N -1 3 318.804 3.842 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)s2)c([O-])c1 ZINC000114671538 1015261146 /nfs/dbraw/zinc/26/11/46/1015261146.db2.gz CMUYYPQJKDDOAJ-CQSZACIVSA-N -1 3 317.410 3.748 20 0 DHADHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1F ZINC001597291572 987379071 /nfs/dbraw/zinc/37/90/71/987379071.db2.gz MBQCTCCIGPCVIZ-IAGOWNOFSA-N -1 3 317.360 3.701 20 0 DHADHM CC[C@H](C)[C@H](NCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001597324639 987455958 /nfs/dbraw/zinc/45/59/58/987455958.db2.gz BEQFIZHBVBKRMQ-HZMBPMFUSA-N -1 3 322.792 3.584 20 0 DHADHM CCc1[nH]c(CN2CC3(CCCC3)[C@H]2C(C)C)cc1C(=O)[O-] ZINC001597383406 987582507 /nfs/dbraw/zinc/58/25/07/987582507.db2.gz FAFIMZOCIIAAQK-MRXNPFEDSA-N -1 3 304.434 3.676 20 0 DHADHM CSc1ccccc1[C@@H](C)NCc1ccccc1CC(=O)[O-] ZINC001599826790 988610394 /nfs/dbraw/zinc/61/03/94/988610394.db2.gz ZIGCRRIAHWDSLX-CYBMUJFWSA-N -1 3 315.438 3.886 20 0 DHADHM COc1ccc(C(=O)N(CC2CCCCC2)C2CC2)c([O-])c1 ZINC000097702917 1015492877 /nfs/dbraw/zinc/49/28/77/1015492877.db2.gz BPVKLQGQGFJGSG-UHFFFAOYSA-N -1 3 303.402 3.586 20 0 DHADHM CC(C)(CC(F)(F)F)NCc1cc(C(=O)[O-])ccc1Cl ZINC001590649046 990336241 /nfs/dbraw/zinc/33/62/41/990336241.db2.gz PQMTYNIGASPVNF-UHFFFAOYSA-N -1 3 309.715 3.859 20 0 DHADHM CC1(C)CC[C@@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000840525101 1015565116 /nfs/dbraw/zinc/56/51/16/1015565116.db2.gz WOBVJWQRLZQLGT-GFCCVEGCSA-N -1 3 304.367 3.521 20 0 DHADHM COc1ccc([C@@H]([N-]c2nnc(C(F)F)o2)C2CCC2)cc1 ZINC000896423302 1015582352 /nfs/dbraw/zinc/58/23/52/1015582352.db2.gz QJHKRXGXXZUTRU-LBPRGKRZSA-N -1 3 309.316 3.969 20 0 DHADHM [O-]c1ccc(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc1F ZINC000891762161 1015597772 /nfs/dbraw/zinc/59/77/72/1015597772.db2.gz MVYOLPDUCYIRGJ-AWEZNQCLSA-N -1 3 317.364 3.519 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H](Cc3nccs3)C2)c1Cl ZINC000896529191 1015612994 /nfs/dbraw/zinc/61/29/94/1015612994.db2.gz YWZNMCUSZDVVQU-LBPRGKRZSA-N -1 3 322.861 3.957 20 0 DHADHM CC(C)[C@@H]1CCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001591095664 991683911 /nfs/dbraw/zinc/68/39/11/991683911.db2.gz ZDLNEUOCJJCGBR-ZDUSSCGKSA-N -1 3 301.308 3.634 20 0 DHADHM CC(C)[C@@H]1N(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC12CCC2 ZINC001591099629 991713440 /nfs/dbraw/zinc/71/34/40/991713440.db2.gz LZGLFCQBWCECOW-INIZCTEOSA-N -1 3 302.418 3.601 20 0 DHADHM CC(C)[C@H]1c2ccccc2CCN1Cc1cncc(C(=O)[O-])c1 ZINC001591105437 991733707 /nfs/dbraw/zinc/73/37/07/991733707.db2.gz TUJXTGHHMZIFOA-SFHVURJKSA-N -1 3 310.397 3.535 20 0 DHADHM CN(Cc1cc(C(=O)[O-])cs1)Cc1ccc2cc[nH]c2c1 ZINC001598524614 992702991 /nfs/dbraw/zinc/70/29/91/992702991.db2.gz LDHJIOOLFAPOPL-UHFFFAOYSA-N -1 3 300.383 3.560 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC001593190868 994128932 /nfs/dbraw/zinc/12/89/32/994128932.db2.gz XSXSFEFNVQRPFV-RNCFNFMXSA-N -1 3 312.291 3.510 20 0 DHADHM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000341897518 1015840225 /nfs/dbraw/zinc/84/02/25/1015840225.db2.gz CTGKXGPWTOEWIC-AWEZNQCLSA-N -1 3 302.399 3.543 20 0 DHADHM C[C@H](NC[C@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593258223 994539492 /nfs/dbraw/zinc/53/94/92/994539492.db2.gz XUVXXONFLQLEGK-WCQYABFASA-N -1 3 316.426 3.612 20 0 DHADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001593289350 994662372 /nfs/dbraw/zinc/66/23/72/994662372.db2.gz QTOFIVINYUUZPF-SECBINFHSA-N -1 3 312.291 3.583 20 0 DHADHM C[C@](NCc1cccc(C(F)F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593304522 994747982 /nfs/dbraw/zinc/74/79/82/994747982.db2.gz NHOONYVLPWVKDE-QGZVFWFLSA-N -1 3 323.314 3.853 20 0 DHADHM C[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593354464 994991947 /nfs/dbraw/zinc/99/19/47/994991947.db2.gz QSJLSLKFNOSXFB-GHMZBOCLSA-N -1 3 304.777 3.845 20 0 DHADHM C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001593687311 996126727 /nfs/dbraw/zinc/12/67/27/996126727.db2.gz QSGUTBIPLLUSPN-LBPRGKRZSA-N -1 3 312.369 3.663 20 0 DHADHM C[C@H](c1ccc2c(c1)CCC2)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001593700119 996174163 /nfs/dbraw/zinc/17/41/63/996174163.db2.gz VRRBUWMMGSNJBM-CQSZACIVSA-N -1 3 321.420 3.993 20 0 DHADHM CC1(C)[C@@H](c2ccccc2)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001593841601 996599894 /nfs/dbraw/zinc/59/98/94/996599894.db2.gz FAWLXQXRMDPYDS-CYBMUJFWSA-N -1 3 316.426 3.609 20 0 DHADHM COc1ccc([C@@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC001599530638 997645285 /nfs/dbraw/zinc/64/52/85/997645285.db2.gz DSRKBHJSACYGHV-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1 ZINC000014223693 1016227449 /nfs/dbraw/zinc/22/74/49/1016227449.db2.gz ZMHYYLCTGFYNOZ-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000892141856 1016292210 /nfs/dbraw/zinc/29/22/10/1016292210.db2.gz WOAGNVTWJXVYQA-BZNIZROVSA-N -1 3 307.390 3.555 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1F ZINC000071978019 1016318865 /nfs/dbraw/zinc/31/88/65/1016318865.db2.gz WHDIEYVSXITVLZ-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000622438866 1016410515 /nfs/dbraw/zinc/41/05/15/1016410515.db2.gz QAXWPFGICPSNSM-UHFFFAOYSA-N -1 3 304.415 3.916 20 0 DHADHM CCCC1CCC(N(C)C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622554141 1016463506 /nfs/dbraw/zinc/46/35/06/1016463506.db2.gz MWHRCEBNGVMMTD-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1(C)C ZINC000622617039 1016499844 /nfs/dbraw/zinc/49/98/44/1016499844.db2.gz UCSXYYHUTVPKMP-CYBMUJFWSA-N -1 3 315.335 3.918 20 0 DHADHM CC(C)[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCS1 ZINC000563285046 1016509506 /nfs/dbraw/zinc/50/95/06/1016509506.db2.gz XHEVMWKWRXUZSK-AWEZNQCLSA-N -1 3 313.850 3.612 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC000171249799 1016548940 /nfs/dbraw/zinc/54/89/40/1016548940.db2.gz PSGNJWOLHDNYKZ-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1nccs1 ZINC000185078046 1016545977 /nfs/dbraw/zinc/54/59/77/1016545977.db2.gz OJLCTZLXLGZUNJ-CYBMUJFWSA-N -1 3 324.833 3.946 20 0 DHADHM CC1(C)C[C@@H](Oc2c([O-])cc(Br)cc2F)CCO1 ZINC001227588827 1017048096 /nfs/dbraw/zinc/04/80/96/1017048096.db2.gz VPUVDBBVMYKMKA-VIFPVBQESA-N -1 3 319.170 3.630 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC000623467872 1017060364 /nfs/dbraw/zinc/06/03/64/1017060364.db2.gz DLINQPLRVHTTMI-UHFFFAOYSA-N -1 3 309.818 3.942 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2coc3c2C(=O)CCC3)c1[O-] ZINC000294795262 1032157142 /nfs/dbraw/zinc/15/71/42/1032157142.db2.gz DQMDQLRXPIEQFM-UHFFFAOYSA-N -1 3 319.744 3.718 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000055549834 1032221217 /nfs/dbraw/zinc/22/12/17/1032221217.db2.gz NFVMYYJNEXNHRM-UHFFFAOYSA-N -1 3 312.369 3.692 20 0 DHADHM C[C@H]1SCCN(C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000118300883 1032241351 /nfs/dbraw/zinc/24/13/51/1032241351.db2.gz PHQHHCVUEALGAZ-DYVFJYSZSA-N -1 3 313.422 3.711 20 0 DHADHM CCCC[C@H](COC)NC(=O)c1cc2sccc2c([O-])c1 ZINC001147243333 1032293827 /nfs/dbraw/zinc/29/38/27/1032293827.db2.gz HOXGBDOWKSAKBF-GFCCVEGCSA-N -1 3 307.415 3.542 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)cc3ncoc32)no1 ZINC001147484355 1032318559 /nfs/dbraw/zinc/31/85/59/1032318559.db2.gz MGLNWLBCYKQULR-UHFFFAOYSA-N -1 3 305.721 3.845 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C2CCC2)C(F)(F)F)c([O-])c1 ZINC001148504393 1032409300 /nfs/dbraw/zinc/40/93/00/1032409300.db2.gz OCBDSNPFBXYGLF-CYBMUJFWSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cccc3cccnc32)c([O-])c1 ZINC001148504091 1032409529 /nfs/dbraw/zinc/40/95/29/1032409529.db2.gz GCFPDYLMIQNJII-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM CCOc1ccc(C)cc1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148663146 1032431227 /nfs/dbraw/zinc/43/12/27/1032431227.db2.gz VSJIAPNLILMACP-UHFFFAOYSA-N -1 3 313.353 3.554 20 0 DHADHM CCc1cccc(CC)c1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148665144 1032431829 /nfs/dbraw/zinc/43/18/29/1032431829.db2.gz XWWMEHLKHZZRDI-UHFFFAOYSA-N -1 3 311.381 3.972 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000121362176 1032442611 /nfs/dbraw/zinc/44/26/11/1032442611.db2.gz FENDCCGIUMWPDC-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c([O-])c1 ZINC000121337587 1032443470 /nfs/dbraw/zinc/44/34/70/1032443470.db2.gz HARGLFPVFWQWEI-UHFFFAOYSA-N -1 3 322.364 3.531 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2OC(C)(C)C)c1 ZINC000537640656 1032546277 /nfs/dbraw/zinc/54/62/77/1032546277.db2.gz DRZLYEJGHHKEDV-UHFFFAOYSA-N -1 3 315.369 3.830 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(Cl)o1 ZINC000078829077 1012028656 /nfs/dbraw/zinc/02/86/56/1012028656.db2.gz RBQDGWYJBYAXSL-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM O=c1nc(-c2cccnn2)[n-]c2scc(C3CCCCC3)c21 ZINC000887316265 1032621315 /nfs/dbraw/zinc/62/13/15/1032621315.db2.gz NCBZXQLZJBHDBE-UHFFFAOYSA-N -1 3 312.398 3.902 20 0 DHADHM Cc1ccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)c(C)c1 ZINC001167084720 1012712146 /nfs/dbraw/zinc/71/21/46/1012712146.db2.gz OLKZWFZTBISPAF-UHFFFAOYSA-N -1 3 309.369 3.695 20 0 DHADHM CC(C)[C@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(F)(F)F ZINC001225852801 1012757265 /nfs/dbraw/zinc/75/72/65/1012757265.db2.gz LFUJTBDOHXUWEJ-ZETCQYMHSA-N -1 3 320.258 3.750 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000517031535 1012891837 /nfs/dbraw/zinc/89/18/37/1012891837.db2.gz IBSQXTQZJIFJOX-CJNGLKHVSA-N -1 3 319.401 3.519 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c1Cl ZINC000517088352 1012908608 /nfs/dbraw/zinc/90/86/08/1012908608.db2.gz UMDVWDRLDSTPQF-GZMMTYOYSA-N -1 3 322.257 3.769 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000232751010 1012946738 /nfs/dbraw/zinc/94/67/38/1012946738.db2.gz DYQJHDLSPQDCQZ-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)C ZINC000517287155 1012955117 /nfs/dbraw/zinc/95/51/17/1012955117.db2.gz MFCWZXLLYXYCOX-LBPRGKRZSA-N -1 3 307.818 3.582 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccc(Oc2ccccc2)c1 ZINC000045574525 1012962956 /nfs/dbraw/zinc/96/29/56/1012962956.db2.gz OVCYJQNQYJYMAS-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(F)c2ccccc2c1 ZINC000339862416 1012968651 /nfs/dbraw/zinc/96/86/51/1012968651.db2.gz VTVYJCIROUOYPR-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(CCSc1ccccn1)Nc1ccc(Cl)cc1[O-] ZINC000179640998 1017280263 /nfs/dbraw/zinc/28/02/63/1017280263.db2.gz KIJLICSYZLIJPJ-UHFFFAOYSA-N -1 3 308.790 3.562 20 0 DHADHM CCOc1ccc(C[C@@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000665791119 1017434431 /nfs/dbraw/zinc/43/44/31/1017434431.db2.gz BQKNRPMHTXRWBA-GFCCVEGCSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)c(F)c1 ZINC000666972363 1032701891 /nfs/dbraw/zinc/70/18/91/1032701891.db2.gz XTBGUXMLDSBIHF-UHFFFAOYSA-N -1 3 311.357 3.675 20 0 DHADHM O=C(Nc1ccc2c(n1)CCCC2)c1cc([O-])ccc1Cl ZINC000874672031 1032702131 /nfs/dbraw/zinc/70/21/31/1032702131.db2.gz VAOIFTOQANSRFB-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM CCc1cc(NCc2ccc([O-])c(F)c2)nc(-c2ccncc2)n1 ZINC000078020049 1017502762 /nfs/dbraw/zinc/50/27/62/1017502762.db2.gz XOTXKPKUXPAEBK-UHFFFAOYSA-N -1 3 324.359 3.558 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2sccc2C(F)F)n1 ZINC000874692432 1032705278 /nfs/dbraw/zinc/70/52/78/1032705278.db2.gz BZYVEGLGIVVEJN-UHFFFAOYSA-N -1 3 303.359 3.913 20 0 DHADHM C[C@@H](CCCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000342833341 1017530135 /nfs/dbraw/zinc/53/01/35/1017530135.db2.gz YXRSGPWNHTULNI-ZDUSSCGKSA-N -1 3 324.384 3.662 20 0 DHADHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)cccc1[O-])CC3 ZINC000623920155 1017589151 /nfs/dbraw/zinc/58/91/51/1017589151.db2.gz BWLISCYSQGZBKT-UHFFFAOYSA-N -1 3 320.392 3.689 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H](Oc1ccccc1)c1ccccc1 ZINC000181002828 1017715547 /nfs/dbraw/zinc/71/55/47/1017715547.db2.gz VDBKRBYFIRGEJT-QGZVFWFLSA-N -1 3 320.348 3.546 20 0 DHADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ncccc1[O-] ZINC000181002087 1017715949 /nfs/dbraw/zinc/71/59/49/1017715949.db2.gz HJCMUHSCISBVKU-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM c1cc(-c2ccccc2)oc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181791117 1017812090 /nfs/dbraw/zinc/81/20/90/1017812090.db2.gz VHKRBXWUDUSSTG-HNNXBMFYSA-N -1 3 311.341 3.793 20 0 DHADHM CCSc1ccc([C@@H](C)NCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000182117668 1017864255 /nfs/dbraw/zinc/86/42/55/1017864255.db2.gz POVWNEAQTRBASV-GFCCVEGCSA-N -1 3 317.458 3.707 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(C(C)C)nc3)no2)c1[O-] ZINC000445525365 1017898766 /nfs/dbraw/zinc/89/87/66/1017898766.db2.gz USEACBIKCCNIEN-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM O=c1[n-]c(NCCOC2CCCCC2)c(Cl)cc1Cl ZINC001171473667 1032744100 /nfs/dbraw/zinc/74/41/00/1032744100.db2.gz KWTBTRJMBJLROR-UHFFFAOYSA-N -1 3 305.205 3.855 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001212520831 1018153358 /nfs/dbraw/zinc/15/33/58/1018153358.db2.gz UPPKLEQJMIGAQK-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CC(C)CCOc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000161582854 1018181933 /nfs/dbraw/zinc/18/19/33/1018181933.db2.gz KRKNSGPEAURUMR-INIZCTEOSA-N -1 3 322.405 3.691 20 0 DHADHM CC(C)CCOc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000161582854 1018181936 /nfs/dbraw/zinc/18/19/36/1018181936.db2.gz KRKNSGPEAURUMR-INIZCTEOSA-N -1 3 322.405 3.691 20 0 DHADHM CC[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194972538 1018217286 /nfs/dbraw/zinc/21/72/86/1018217286.db2.gz KWDDHSWDVWODTK-AWEZNQCLSA-N -1 3 313.426 3.568 20 0 DHADHM O=c1ccnc(C=Cc2ccc(-c3c(F)cccc3F)o2)[n-]1 ZINC000764443187 1018283178 /nfs/dbraw/zinc/28/31/78/1018283178.db2.gz UPYBLXMCBWMYKW-ALCCZGGFSA-N -1 3 300.264 3.891 20 0 DHADHM C[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC[C@]1(C)O ZINC001142105767 1018313212 /nfs/dbraw/zinc/31/32/12/1018313212.db2.gz MOHBHQORCIUIQP-BONVTDFDSA-N -1 3 318.244 3.682 20 0 DHADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001127826825 1018478269 /nfs/dbraw/zinc/47/82/69/1018478269.db2.gz UNUPIXICGCDCIG-WCQYABFASA-N -1 3 317.326 3.963 20 0 DHADHM Cc1c([O-])ccc2c(CSc3ccccc3O)cc(=O)oc12 ZINC000161737221 1018500673 /nfs/dbraw/zinc/50/06/73/1018500673.db2.gz CXHDVGPYTHYIQP-UHFFFAOYSA-N -1 3 314.362 3.805 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1[O-] ZINC000583501535 1018512924 /nfs/dbraw/zinc/51/29/24/1018512924.db2.gz LCXKLMYKVXBXGK-YMRXKLBXSA-N -1 3 309.365 3.583 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1CC ZINC000486084449 1018538280 /nfs/dbraw/zinc/53/82/80/1018538280.db2.gz HCUUSOYFQXDECR-UHFFFAOYSA-N -1 3 307.390 3.751 20 0 DHADHM CC(C)N(Cc1ccccc1F)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448820414 1018635112 /nfs/dbraw/zinc/63/51/12/1018635112.db2.gz ZTFKZRJTIUXVCU-UHFFFAOYSA-N -1 3 319.351 3.650 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000627301813 1018831306 /nfs/dbraw/zinc/83/13/06/1018831306.db2.gz OWOJIEYANUVZOQ-OAHLLOKOSA-N -1 3 301.411 3.985 20 0 DHADHM CN(CCCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000565101266 1018906731 /nfs/dbraw/zinc/90/67/31/1018906731.db2.gz DBHSFZFJFOBGBA-UHFFFAOYSA-N -1 3 315.388 3.979 20 0 DHADHM O=C(N[C@H]1CCCc2occc21)c1cc([O-])c2ccccc2c1 ZINC000471716091 1018923998 /nfs/dbraw/zinc/92/39/98/1018923998.db2.gz UEXONKUPDSJRGF-INIZCTEOSA-N -1 3 307.349 3.946 20 0 DHADHM CCOc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471753404 1018930464 /nfs/dbraw/zinc/93/04/64/1018930464.db2.gz AFTBPDHERCXHJP-UHFFFAOYSA-N -1 3 321.376 3.874 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000650793720 1018939917 /nfs/dbraw/zinc/93/99/17/1018939917.db2.gz IAMUKZLPTOZQIX-IAQYHMDHSA-N -1 3 319.401 3.992 20 0 DHADHM CC(C)(C)c1nnc([N-]c2cc(F)c(OC(F)F)c(F)c2)o1 ZINC001212444024 1018960013 /nfs/dbraw/zinc/96/00/13/1018960013.db2.gz YWPHYNPMLGHUFS-UHFFFAOYSA-N -1 3 319.258 3.990 20 0 DHADHM C[C@@H](c1nc2ccccc2s1)N(C)CCCCCC(=O)[O-] ZINC000584118904 1018968740 /nfs/dbraw/zinc/96/87/40/1018968740.db2.gz PMDUFZBSWQDZFX-LBPRGKRZSA-N -1 3 306.431 3.934 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cc(F)c(OC(F)F)c(F)c1 ZINC001212447099 1019059645 /nfs/dbraw/zinc/05/96/45/1019059645.db2.gz SHXOUDGNSQJFBL-UHFFFAOYSA-N -1 3 306.190 3.550 20 0 DHADHM CCCOCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000063579573 1019062682 /nfs/dbraw/zinc/06/26/82/1019062682.db2.gz XNBPFQIYGHPBCZ-UHFFFAOYSA-N -1 3 300.383 3.578 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000349264144 1019077699 /nfs/dbraw/zinc/07/76/99/1019077699.db2.gz GIDOWVQLWWMFNW-UHFFFAOYSA-N -1 3 320.348 3.756 20 0 DHADHM O=C(NCc1ccc2c(c1)COC2)c1cc([O-])c2ccccc2c1 ZINC000355157302 1019095119 /nfs/dbraw/zinc/09/51/19/1019095119.db2.gz GPRPMYAJTTZBBA-UHFFFAOYSA-N -1 3 319.360 3.506 20 0 DHADHM CC(C)c1ocnc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000092314911 1019154608 /nfs/dbraw/zinc/15/46/08/1019154608.db2.gz QILAHJAKJWOAFG-UHFFFAOYSA-N -1 3 324.380 3.742 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cccc(Cl)c1Cl)CC2 ZINC000711651875 1019167021 /nfs/dbraw/zinc/16/70/21/1019167021.db2.gz BEKNFVVPAQGALW-DOMZBBRYSA-N -1 3 314.212 3.823 20 0 DHADHM CCC(CC)c1nnc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000039549272 1019266572 /nfs/dbraw/zinc/26/65/72/1019266572.db2.gz QSBCLSCJAVMXAQ-UHFFFAOYSA-N -1 3 305.403 3.708 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccc(Br)cn1 ZINC001212478080 1019396380 /nfs/dbraw/zinc/39/63/80/1019396380.db2.gz TVHGRBORADZSFX-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1nc(F)ccc1Br ZINC001212482076 1019429664 /nfs/dbraw/zinc/42/96/64/1019429664.db2.gz ZCZHWAMVRJLZSV-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000091685421 1019478579 /nfs/dbraw/zinc/47/85/79/1019478579.db2.gz SUGZTLVGAGSAMB-OAHLLOKOSA-N -1 3 301.773 3.941 20 0 DHADHM O=C1CCOc2c(Nc3cc(F)cc(F)c3[O-])ccc(F)c21 ZINC001212493055 1019506110 /nfs/dbraw/zinc/50/61/10/1019506110.db2.gz QGTYZGPJVSUSPN-UHFFFAOYSA-N -1 3 309.243 3.518 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1[O-] ZINC000093917057 1019593960 /nfs/dbraw/zinc/59/39/60/1019593960.db2.gz DFFZYYJDEPFUJN-ZDUSSCGKSA-N -1 3 313.397 3.796 20 0 DHADHM Cc1cc(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)cc1O ZINC000682531704 1019638209 /nfs/dbraw/zinc/63/82/09/1019638209.db2.gz ARZXTOMZUJDSNY-UHFFFAOYSA-N -1 3 317.360 3.815 20 0 DHADHM CCc1cccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000536218698 1019698874 /nfs/dbraw/zinc/69/88/74/1019698874.db2.gz CTXFMHZSVBQUSN-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CN(CCc1ccccc1O)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525931408 1019727887 /nfs/dbraw/zinc/72/78/87/1019727887.db2.gz KVEMVQSNHJDYRH-UHFFFAOYSA-N -1 3 321.376 3.566 20 0 DHADHM O=C(NC/C=C/c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526921143 1019738280 /nfs/dbraw/zinc/73/82/80/1019738280.db2.gz BUFKRROCUSLSFO-RMKNXTFCSA-N -1 3 303.361 3.989 20 0 DHADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477505255 1032850953 /nfs/dbraw/zinc/85/09/53/1032850953.db2.gz ORQVQXOGGSODER-UHFFFAOYSA-N -1 3 318.442 3.677 20 0 DHADHM CN(Cc1cccc(O)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527457957 1019753292 /nfs/dbraw/zinc/75/32/92/1019753292.db2.gz VCLGBZFMPDORPO-UHFFFAOYSA-N -1 3 307.349 3.523 20 0 DHADHM O=C(NCc1cc(F)ccc1F)c1cc([O-])c2ccccc2c1 ZINC000527448946 1019753334 /nfs/dbraw/zinc/75/33/34/1019753334.db2.gz UGOUOZDKXZUHNK-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1ccon1 ZINC000067708200 1019780725 /nfs/dbraw/zinc/78/07/25/1019780725.db2.gz POBNPGPMXXNNEM-UHFFFAOYSA-N -1 3 302.277 3.581 20 0 DHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000685590346 1019965168 /nfs/dbraw/zinc/96/51/68/1019965168.db2.gz GUSKEPGLRQDUGP-UHFFFAOYSA-N -1 3 322.290 3.643 20 0 DHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000685590346 1019965173 /nfs/dbraw/zinc/96/51/73/1019965173.db2.gz GUSKEPGLRQDUGP-UHFFFAOYSA-N -1 3 322.290 3.643 20 0 DHADHM CC1(C)CN(c2cc(Cl)nc(=O)[n-]2)c2cccc(Cl)c21 ZINC000858373607 1032867113 /nfs/dbraw/zinc/86/71/13/1032867113.db2.gz KZZJKQZXTDZDNE-UHFFFAOYSA-N -1 3 310.184 3.918 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OCc2cccnc2)c2ccccc21 ZINC000785190583 1020098637 /nfs/dbraw/zinc/09/86/37/1020098637.db2.gz PMXRJAYOVWFPQG-LPHOPBHVSA-N -1 3 324.424 3.947 20 0 DHADHM O=c1[n-]c(Sc2nc(-c3ccccc3)c[nH]2)nc2ccccc12 ZINC000731921804 1020172969 /nfs/dbraw/zinc/17/29/69/1020172969.db2.gz PSTQUZOCSFOXMX-UHFFFAOYSA-N -1 3 320.377 3.877 20 0 DHADHM O=C([N-]c1c(F)cccc1Cl)c1scc2c1OCCO2 ZINC001128010234 1020175252 /nfs/dbraw/zinc/17/52/52/1020175252.db2.gz GCZWLZQMNLJWHD-UHFFFAOYSA-N -1 3 313.737 3.564 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624513975 1020222755 /nfs/dbraw/zinc/22/27/55/1020222755.db2.gz WHDGHOUPVKXGHX-UHFFFAOYSA-N -1 3 301.318 3.520 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000089877840 1020316418 /nfs/dbraw/zinc/31/64/18/1020316418.db2.gz DJTRZHANUKWKSP-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM CCCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000179758348 1020438528 /nfs/dbraw/zinc/43/85/28/1020438528.db2.gz SVRIGLAMXUXRGF-UHFFFAOYSA-N -1 3 311.307 3.766 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c([O-])c1 ZINC000673945963 1020565923 /nfs/dbraw/zinc/56/59/23/1020565923.db2.gz ZJHVTDPNRWTRBJ-UBHSHLNASA-N -1 3 313.319 3.538 20 0 DHADHM COc1cc(C(=O)/C=C/c2cc(Cl)ccc2OC)ccc1[O-] ZINC000053105418 1020586714 /nfs/dbraw/zinc/58/67/14/1020586714.db2.gz WPXGTNYUYPTTBE-GQCTYLIASA-N -1 3 318.756 3.959 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCc2nc(C(C)C)cs2)c1 ZINC000612491820 1020588345 /nfs/dbraw/zinc/58/83/45/1020588345.db2.gz BGFUYGLJEGEESM-UHFFFAOYSA-N -1 3 322.455 3.624 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1csc2ccccc12 ZINC000132992523 1020588879 /nfs/dbraw/zinc/58/88/79/1020588879.db2.gz AAZXJCLGHJXOCX-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(s1)CCCCC2 ZINC000303830943 1020606379 /nfs/dbraw/zinc/60/63/79/1020606379.db2.gz QVNGBGRBAHOSDI-UHFFFAOYSA-N -1 3 319.401 3.792 20 0 DHADHM CCCCC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(C)(C)C ZINC000734505870 1020615271 /nfs/dbraw/zinc/61/52/71/1020615271.db2.gz UKWKUIAFQBBHTH-ZDUSSCGKSA-N -1 3 316.467 3.565 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCC3CC3)nc(=O)c2c1C ZINC000734610866 1020633210 /nfs/dbraw/zinc/63/32/10/1020633210.db2.gz QMDZPEJLGBCPKZ-SECBINFHSA-N -1 3 320.414 3.808 20 0 DHADHM CC(C)COc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448734234 1020675474 /nfs/dbraw/zinc/67/54/74/1020675474.db2.gz GMUJVDNHLVRRMR-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000735040014 1020686551 /nfs/dbraw/zinc/68/65/51/1020686551.db2.gz IYRMKFHBGPCSJL-VIFPVBQESA-N -1 3 306.332 3.759 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000735040014 1020686559 /nfs/dbraw/zinc/68/65/59/1020686559.db2.gz IYRMKFHBGPCSJL-VIFPVBQESA-N -1 3 306.332 3.759 20 0 DHADHM CCCO[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000264433527 1032930647 /nfs/dbraw/zinc/93/06/47/1032930647.db2.gz APYHBXLTYUBIRV-MRXNPFEDSA-N -1 3 319.445 3.937 20 0 DHADHM CCOC(=O)CCCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000735527896 1020745239 /nfs/dbraw/zinc/74/52/39/1020745239.db2.gz LXJOJFGQBXDCDW-UHFFFAOYSA-N -1 3 322.188 3.602 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2cccnc2-n2cccn2)c1F ZINC001214554585 1020867699 /nfs/dbraw/zinc/86/76/99/1020867699.db2.gz VJOIVEWWESQEBR-UHFFFAOYSA-N -1 3 304.712 3.509 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2CSC)c1 ZINC000186138298 1021083923 /nfs/dbraw/zinc/08/39/23/1021083923.db2.gz BCZZGFBJWCAXTO-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM Cc1cc(C)cc(NC(=S)NCc2ccc([O-])c(F)c2)c1 ZINC000737461938 1021103366 /nfs/dbraw/zinc/10/33/66/1021103366.db2.gz VHMPIRHZTBXKQR-UHFFFAOYSA-N -1 3 304.390 3.635 20 0 DHADHM C[C@@H]1CC(/N=C/c2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000162456072 1021124930 /nfs/dbraw/zinc/12/49/30/1021124930.db2.gz YMBLUJZBLALEPY-OFNOFRFJSA-N -1 3 312.207 3.530 20 0 DHADHM O=C(CCCc1cc(F)ccc1F)Nc1cccc([O-])c1F ZINC000128331905 1021220563 /nfs/dbraw/zinc/22/05/63/1021220563.db2.gz JAPAXZBNSPCNNE-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM COc1ccc(NC(=O)Nc2nc3c(cccc3[O-])s2)cc1 ZINC001202382982 1021240244 /nfs/dbraw/zinc/24/02/44/1021240244.db2.gz UUNOJXINQLNZEF-UHFFFAOYSA-N -1 3 315.354 3.655 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(C2CCCCC2)[nH]n1 ZINC000128454824 1021258162 /nfs/dbraw/zinc/25/81/62/1021258162.db2.gz IQFSWQJTZBILTI-UHFFFAOYSA-N -1 3 303.337 3.554 20 0 DHADHM O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccccc3)o2)c2ccccc21 ZINC000917518654 1021287030 /nfs/dbraw/zinc/28/70/30/1021287030.db2.gz INLDMIFFRCIGOR-ATVHPVEESA-N -1 3 315.328 3.757 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000128659498 1021309427 /nfs/dbraw/zinc/30/94/27/1021309427.db2.gz MUQOYTJLJQRKMR-QWRGUYRKSA-N -1 3 307.271 3.552 20 0 DHADHM CC(C)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000623019083 1021364175 /nfs/dbraw/zinc/36/41/75/1021364175.db2.gz GSGIVVSKBJLHDY-UHFFFAOYSA-N -1 3 301.308 3.814 20 0 DHADHM O=C(C=C(C1CC1)C1CC1)Nc1ccc(Br)cc1[O-] ZINC000918125742 1021457875 /nfs/dbraw/zinc/45/78/75/1021457875.db2.gz RIKFPDMPQFXVOE-UHFFFAOYSA-N -1 3 322.202 3.840 20 0 DHADHM O=c1cc(C=Cc2ccccc2OC(F)F)nc(C2CC2)[n-]1 ZINC000253426540 1021484788 /nfs/dbraw/zinc/48/47/88/1021484788.db2.gz WQUAHYHCTSLCFI-BQYQJAHWSA-N -1 3 304.296 3.831 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)o1 ZINC000129680779 1021536935 /nfs/dbraw/zinc/53/69/35/1021536935.db2.gz UJAHYMQTNRGAHW-LXIAQJANSA-N -1 3 301.317 3.900 20 0 DHADHM CCCN(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129724740 1021563711 /nfs/dbraw/zinc/56/37/11/1021563711.db2.gz IFNHRFUAYOGCNM-UHFFFAOYSA-N -1 3 302.349 3.630 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619359858 1021737364 /nfs/dbraw/zinc/73/73/64/1021737364.db2.gz MIFQDZCNMRKJTA-QZTJIDSGSA-N -1 3 321.420 3.659 20 0 DHADHM CCN(Cc1sc(=O)[n-]c1Cl)Cc1cccc(F)c1F ZINC001237169377 1021773697 /nfs/dbraw/zinc/77/36/97/1021773697.db2.gz NCKYJXWFFRLLCV-UHFFFAOYSA-N -1 3 318.776 3.802 20 0 DHADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000152990197 1021914693 /nfs/dbraw/zinc/91/46/93/1021914693.db2.gz ZHKSQKYCHDRDIT-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCC2(CCCCC2)CC1 ZINC000188803125 1021967500 /nfs/dbraw/zinc/96/75/00/1021967500.db2.gz GKOHZUBQRVAFKS-UHFFFAOYSA-N -1 3 303.402 3.674 20 0 DHADHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000620048087 1022028760 /nfs/dbraw/zinc/02/87/60/1022028760.db2.gz VGEASKKPEYLKHC-ZJUUUORDSA-N -1 3 307.868 3.506 20 0 DHADHM CC(C)O[N-]C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000836798166 1022037308 /nfs/dbraw/zinc/03/73/08/1022037308.db2.gz HRTZKHZCJVUOBA-UHFFFAOYSA-N -1 3 303.324 3.730 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1F ZINC000538297985 1033027230 /nfs/dbraw/zinc/02/72/30/1033027230.db2.gz CTGUKFHKOFWPCG-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000620203417 1022071042 /nfs/dbraw/zinc/07/10/42/1022071042.db2.gz UGZHAOMRHJZZMV-CYBMUJFWSA-N -1 3 305.443 3.766 20 0 DHADHM CCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC001299225622 1022140851 /nfs/dbraw/zinc/14/08/51/1022140851.db2.gz VRAMOEFNMFAXKW-MRXNPFEDSA-N -1 3 303.402 3.684 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000804292433 1022145076 /nfs/dbraw/zinc/14/50/76/1022145076.db2.gz FRYFRGWIOVAMEQ-PKOBYXMFSA-N -1 3 321.420 3.802 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)cc1[O-] ZINC000620570015 1022191779 /nfs/dbraw/zinc/19/17/79/1022191779.db2.gz XZRSULJMFALRHH-MRXNPFEDSA-N -1 3 315.413 3.780 20 0 DHADHM Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000620680447 1022227922 /nfs/dbraw/zinc/22/79/22/1022227922.db2.gz ONXCPWFPPWMCPI-KRWDZBQOSA-N -1 3 313.372 3.576 20 0 DHADHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416283577 1022233776 /nfs/dbraw/zinc/23/37/76/1022233776.db2.gz FZMMDMGRMIPAIT-DZGCQCFKSA-N -1 3 307.409 3.747 20 0 DHADHM COc1nc(Nc2ccc(Cl)c([O-])c2)cc2cccnc21 ZINC001212588470 1022349634 /nfs/dbraw/zinc/34/96/34/1022349634.db2.gz QOXTYMZUOUSTEH-UHFFFAOYSA-N -1 3 301.733 3.741 20 0 DHADHM Nc1cc(Br)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589307 1022357616 /nfs/dbraw/zinc/35/76/16/1022357616.db2.gz FINREXLOYZPKAG-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM O=c1[nH]cc(-c2ccncc2)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589228 1022358292 /nfs/dbraw/zinc/35/82/92/1022358292.db2.gz AZZCAPPGYLHQBW-UHFFFAOYSA-N -1 3 313.744 3.952 20 0 DHADHM COc1ccc(-n2nccc2Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212590603 1022429964 /nfs/dbraw/zinc/42/99/64/1022429964.db2.gz USDRTQSDKQWFRJ-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1c([O-])cccc1Cl ZINC000854652667 1022507613 /nfs/dbraw/zinc/50/76/13/1022507613.db2.gz RYODARFPBQZXDY-SSDOTTSWSA-N -1 3 308.592 3.958 20 0 DHADHM CCOc1cc(Nc2ccc(Cl)c([O-])c2)cc(C(=O)OC)c1 ZINC001212593773 1022513559 /nfs/dbraw/zinc/51/35/59/1022513559.db2.gz JOESJYYIBZHGGT-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]OCc1ccccc1 ZINC000068094987 1022513672 /nfs/dbraw/zinc/51/36/72/1022513672.db2.gz BWHVYDPVYFGLJQ-UHFFFAOYSA-N -1 3 314.772 3.612 20 0 DHADHM Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C ZINC000156998515 1022514706 /nfs/dbraw/zinc/51/47/06/1022514706.db2.gz VQLGQDWKZYFNOX-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM [O-]c1c(Cl)cccc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000179838592 1022557691 /nfs/dbraw/zinc/55/76/91/1022557691.db2.gz DJFOFKXRJSPNDP-HNNXBMFYSA-N -1 3 321.804 3.820 20 0 DHADHM COC(=O)[C@@H]1Cc2cccc(Nc3ccc(Cl)c([O-])c3)c2C1 ZINC001212595515 1022561542 /nfs/dbraw/zinc/56/15/42/1022561542.db2.gz XNTBFKRMCUAFMH-LLVKDONJSA-N -1 3 317.772 3.677 20 0 DHADHM CC[C@H](C)[C@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000780390890 1022728117 /nfs/dbraw/zinc/72/81/17/1022728117.db2.gz JVDIVLJTXGIKBK-AAEUAGOBSA-N -1 3 314.385 3.745 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2NC2CCC2)cc1[O-] ZINC000616534232 1022742497 /nfs/dbraw/zinc/74/24/97/1022742497.db2.gz POGZPXFNTGWXFB-UHFFFAOYSA-N -1 3 324.380 3.812 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cscc2C(F)(F)F)s1 ZINC000621409130 1022746430 /nfs/dbraw/zinc/74/64/30/1022746430.db2.gz VQCSCHNLLCJJFB-UHFFFAOYSA-N -1 3 321.349 3.823 20 0 DHADHM CSc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417532939 1022769541 /nfs/dbraw/zinc/76/95/41/1022769541.db2.gz LSCPEOWLLLEGKA-NSHDSACASA-N -1 3 313.469 3.837 20 0 DHADHM CCCCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000621510153 1022786085 /nfs/dbraw/zinc/78/60/85/1022786085.db2.gz LDDSJSJYOIMWMI-UHFFFAOYSA-N -1 3 301.308 3.816 20 0 DHADHM O=c1cc(Nc2ccc(C3CCOCC3)cc2)nc(C2CC2)[n-]1 ZINC001212650522 1033084437 /nfs/dbraw/zinc/08/44/37/1033084437.db2.gz MQFYIVGBCCPPMG-UHFFFAOYSA-N -1 3 311.385 3.697 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)c3ccco3)cc(=O)oc12 ZINC000069069005 1022882248 /nfs/dbraw/zinc/88/22/48/1022882248.db2.gz SGDOXSYUTCYSOJ-LBPRGKRZSA-N -1 3 313.353 3.593 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CC1CC1)CC1CC1 ZINC000621871036 1022912490 /nfs/dbraw/zinc/91/24/90/1022912490.db2.gz ZPNKCMFGXMWHCF-UHFFFAOYSA-N -1 3 313.319 3.673 20 0 DHADHM CN(C[C@@H]1CC=CCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621951496 1022954464 /nfs/dbraw/zinc/95/44/64/1022954464.db2.gz ZVBPKNOZSGZUBO-LLVKDONJSA-N -1 3 313.319 3.839 20 0 DHADHM O=C(C[C@H]1CCCc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000857484398 1023020056 /nfs/dbraw/zinc/02/00/56/1023020056.db2.gz FRVJBPVXPPPQCZ-MRXNPFEDSA-N -1 3 313.372 3.884 20 0 DHADHM Cc1ccoc1CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622063398 1023023052 /nfs/dbraw/zinc/02/30/52/1023023052.db2.gz FSNXBZKOPPCEJE-UHFFFAOYSA-N -1 3 313.275 3.585 20 0 DHADHM Cc1cc(OCCCC(=O)[N-]OCCC2CC2)ccc1Cl ZINC000857512515 1023026299 /nfs/dbraw/zinc/02/62/99/1023026299.db2.gz OGBHBCLQNGRUFH-UHFFFAOYSA-N -1 3 311.809 3.655 20 0 DHADHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC(C)(C)C1 ZINC000622100963 1023027325 /nfs/dbraw/zinc/02/73/25/1023027325.db2.gz RSPXKZHBMCNASU-UHFFFAOYSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000622119862 1023038069 /nfs/dbraw/zinc/03/80/69/1023038069.db2.gz NZILPPNQBNYBPZ-NXEZZACHSA-N -1 3 301.308 3.672 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000617769883 1023050288 /nfs/dbraw/zinc/05/02/88/1023050288.db2.gz OFUHTZDYYLKNOO-UHFFFAOYSA-N -1 3 305.443 3.766 20 0 DHADHM Cc1ccccc1[C@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133177659 1033104501 /nfs/dbraw/zinc/10/45/01/1033104501.db2.gz XHMJPQTWWVDZKM-CYBMUJFWSA-N -1 3 301.361 3.650 20 0 DHADHM COc1ccc(C2(NC(=O)c3ccccc3[O-])CCCC2)cc1 ZINC000622343632 1023120356 /nfs/dbraw/zinc/12/03/56/1023120356.db2.gz IPOMHLFLIBSMNV-UHFFFAOYSA-N -1 3 311.381 3.600 20 0 DHADHM CC(C)Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(F)c1 ZINC000622338731 1023120695 /nfs/dbraw/zinc/12/06/95/1023120695.db2.gz WAHMNHLPGBVNBL-UHFFFAOYSA-N -1 3 321.323 3.639 20 0 DHADHM COCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000194249153 1023160795 /nfs/dbraw/zinc/16/07/95/1023160795.db2.gz CHCHFPMMUIZAFM-UHFFFAOYSA-N -1 3 319.426 3.559 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc2ncccc2c1 ZINC000769829705 1023225714 /nfs/dbraw/zinc/22/57/14/1023225714.db2.gz IUPSGUCXFBIZRM-UHFFFAOYSA-N -1 3 320.392 3.806 20 0 DHADHM CC(C)Cn1ncc(NCc2ccc([O-])c(F)c2)c1C(F)F ZINC000893398565 1023327228 /nfs/dbraw/zinc/32/72/28/1023327228.db2.gz MXOLRIIQZUGECY-UHFFFAOYSA-N -1 3 313.323 3.934 20 0 DHADHM Cc1coc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC001126033191 1023481037 /nfs/dbraw/zinc/48/10/37/1023481037.db2.gz ONJYLVUVQAGWMB-UHFFFAOYSA-N -1 3 305.403 3.815 20 0 DHADHM O=C(OCc1csc(-c2ccoc2)n1)c1cc2occc2[n-]1 ZINC000786030724 1023652875 /nfs/dbraw/zinc/65/28/75/1023652875.db2.gz XWFXYMVDZMFFKE-UHFFFAOYSA-N -1 3 314.322 3.834 20 0 DHADHM O=C(OCC[C@H]1CCCC1=O)c1cc2sccc2c([O-])c1 ZINC000786139452 1023663039 /nfs/dbraw/zinc/66/30/39/1023663039.db2.gz HUCSLOFHBGBUDG-SNVBAGLBSA-N -1 3 304.367 3.523 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c([O-])c1 ZINC000787170751 1023767696 /nfs/dbraw/zinc/76/76/96/1023767696.db2.gz BDKNBAUXMKGIOC-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CCC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000048584162 1023797307 /nfs/dbraw/zinc/79/73/07/1023797307.db2.gz UFZVNLYHTIVAFM-MRVPVSSYSA-N -1 3 311.407 3.881 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000538760612 1033162582 /nfs/dbraw/zinc/16/25/82/1033162582.db2.gz AAXNTIWSALPTQO-OAHLLOKOSA-N -1 3 301.411 3.993 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000538742913 1033164847 /nfs/dbraw/zinc/16/48/47/1033164847.db2.gz HTKMEMJAAIKGOB-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C2CCC1CC2 ZINC000538746610 1033166980 /nfs/dbraw/zinc/16/69/80/1033166980.db2.gz NFBNVEGEPMDUBU-UHFFFAOYSA-N -1 3 307.393 3.750 20 0 DHADHM CC(C)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000028055765 1023859235 /nfs/dbraw/zinc/85/92/35/1023859235.db2.gz YBGSIDFXODHPQY-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(NCCc1cccs1)c1cc2sccc2c([O-])c1 ZINC000788262309 1023867632 /nfs/dbraw/zinc/86/76/32/1023867632.db2.gz VLGMWSUMLHEHSV-UHFFFAOYSA-N -1 3 303.408 3.641 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1C1CC1 ZINC000652514329 1023904986 /nfs/dbraw/zinc/90/49/86/1023904986.db2.gz XHXOQLTZVDSQIP-QWHCGFSZSA-N -1 3 314.212 3.536 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC(C)C)nc(=O)c2c1C ZINC000788593995 1023910155 /nfs/dbraw/zinc/91/01/55/1023910155.db2.gz DDNRQVDXIVHGAQ-SECBINFHSA-N -1 3 308.403 3.664 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)[N-]c1nnc(C(C)(C)C)o1 ZINC000882191405 1023995992 /nfs/dbraw/zinc/99/59/92/1023995992.db2.gz GRGBBVSXPJAFND-LLVKDONJSA-N -1 3 313.405 3.910 20 0 DHADHM O=C([N-]CC(F)(F)c1ccccc1)C(F)(F)c1ccccc1 ZINC000789323638 1024050408 /nfs/dbraw/zinc/05/04/08/1024050408.db2.gz YCAAZJHFCNKRBM-UHFFFAOYSA-N -1 3 311.278 3.687 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@@H]4CCCC[C@H]34)nc2)n1 ZINC000882907130 1024167923 /nfs/dbraw/zinc/16/79/23/1024167923.db2.gz MQMBGFLOSDPXPI-VBNZEHGJSA-N -1 3 324.428 3.797 20 0 DHADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452743555 1024176645 /nfs/dbraw/zinc/17/66/45/1024176645.db2.gz AUMIZAGFDVUXMH-OTYXRUKQSA-N -1 3 312.207 3.838 20 0 DHADHM CC(C)(C)c1cnc(CO[N-]C(=O)CCC2CCCCC2)o1 ZINC000131490317 1024371984 /nfs/dbraw/zinc/37/19/84/1024371984.db2.gz OOQVQGZCCMPONK-UHFFFAOYSA-N -1 3 308.422 3.880 20 0 DHADHM CC1(C)CCC(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000270752433 1024426071 /nfs/dbraw/zinc/42/60/71/1024426071.db2.gz JWCRJPRBQNMLHL-UHFFFAOYSA-N -1 3 312.413 3.887 20 0 DHADHM O=c1ccnc(C=Cc2cccc(OCc3ccccc3)c2)[n-]1 ZINC000131815173 1024435709 /nfs/dbraw/zinc/43/57/09/1024435709.db2.gz DCODLAZCMOETGA-MDZDMXLPSA-N -1 3 304.349 3.519 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c([O-])c1 ZINC000271222522 1024472794 /nfs/dbraw/zinc/47/27/94/1024472794.db2.gz CWXUZTRICJXBBK-INIZCTEOSA-N -1 3 313.401 3.606 20 0 DHADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000585711698 1024569223 /nfs/dbraw/zinc/56/92/23/1024569223.db2.gz GJMNAVWAQAUSQA-HNNXBMFYSA-N -1 3 312.413 3.617 20 0 DHADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000283303177 1024627217 /nfs/dbraw/zinc/62/72/17/1024627217.db2.gz GPRSRTFPJCFRLO-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]c1C1CC1 ZINC000792133231 1024633132 /nfs/dbraw/zinc/63/31/32/1024633132.db2.gz LFUUJYAIONNFRN-UHFFFAOYSA-N -1 3 307.353 3.707 20 0 DHADHM CC(C)CCc1nc(C[S@@](=O)c2ccc([O-])cc2)cs1 ZINC000108086579 1024633639 /nfs/dbraw/zinc/63/36/39/1024633639.db2.gz KXAAMNJEOAIAGM-FQEVSTJZSA-N -1 3 309.456 3.745 20 0 DHADHM CCN(CCc1cccs1)C(=O)c1cc(SC)ccc1[O-] ZINC000666173976 1024752022 /nfs/dbraw/zinc/75/20/22/1024752022.db2.gz MXQLKSYPXBSDTK-UHFFFAOYSA-N -1 3 321.467 3.880 20 0 DHADHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc([O-])ccc1Cl ZINC000319812859 1024773120 /nfs/dbraw/zinc/77/31/20/1024773120.db2.gz JJEDTWCGKZTLOI-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1ccc(F)cc1 ZINC001228952467 1024817021 /nfs/dbraw/zinc/81/70/21/1024817021.db2.gz CBXVNKXEAHIOQX-MRVPVSSYSA-N -1 3 312.138 3.829 20 0 DHADHM Cc1coc(C)c1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000793158840 1024915847 /nfs/dbraw/zinc/91/58/47/1024915847.db2.gz MWORDVMUKBHTHV-UHFFFAOYSA-N -1 3 324.336 3.587 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666329452 1024956389 /nfs/dbraw/zinc/95/63/89/1024956389.db2.gz NLYYUWXXSVBGGW-JMJZKYOTSA-N -1 3 310.191 3.529 20 0 DHADHM CC(C)(C)c1cnc(C[N-]c2nnc(-c3ccco3)o2)s1 ZINC000279564028 1025076551 /nfs/dbraw/zinc/07/65/51/1025076551.db2.gz NUDMNPYBYWRTCL-UHFFFAOYSA-N -1 3 304.375 3.696 20 0 DHADHM COc1ccc(NC(=O)Nc2cccc(C(C)=O)c2[O-])c(C)c1 ZINC001202727068 1025087868 /nfs/dbraw/zinc/08/78/68/1025087868.db2.gz GCCOCBJENAXJFF-UHFFFAOYSA-N -1 3 314.341 3.556 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2nc3ccccc3s2)c1F ZINC000353494681 1025091396 /nfs/dbraw/zinc/09/13/96/1025091396.db2.gz DOLWCLHKUICTTG-UHFFFAOYSA-N -1 3 320.364 3.612 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3sccc3C3CC3)n[n-]2)o1 ZINC000353507198 1025099231 /nfs/dbraw/zinc/09/92/31/1025099231.db2.gz KXJUQTSMDAMSNQ-UHFFFAOYSA-N -1 3 314.370 3.564 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(C2CC2)cnc1Cl ZINC000793744539 1025158004 /nfs/dbraw/zinc/15/80/04/1025158004.db2.gz OKXWOGUDYSCVBU-UHFFFAOYSA-N -1 3 306.724 3.709 20 0 DHADHM CCCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC000747151291 1025183393 /nfs/dbraw/zinc/18/33/93/1025183393.db2.gz AERIPZAZBROCSX-UHFFFAOYSA-N -1 3 301.308 3.834 20 0 DHADHM Cc1ccc(C(C)C)c(OCCC(=O)[N-]OC/C=C\Cl)c1 ZINC000794290964 1025249979 /nfs/dbraw/zinc/24/99/79/1025249979.db2.gz PSCMMPRPEBDYOL-YWEYNIOJSA-N -1 3 311.809 3.688 20 0 DHADHM CCCOc1ccc(C(C)(C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000794357747 1025257030 /nfs/dbraw/zinc/25/70/30/1025257030.db2.gz VGGZLVJUCWQFRT-UHFFFAOYSA-N -1 3 321.314 3.727 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc3cccc(F)c3o2)o1 ZINC000353829131 1025261900 /nfs/dbraw/zinc/26/19/00/1025261900.db2.gz CNRNTWGDTDLZLZ-JTQLQIEISA-N -1 3 323.345 3.513 20 0 DHADHM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccccc1[O-] ZINC000885258580 1025301054 /nfs/dbraw/zinc/30/10/54/1025301054.db2.gz GXBAEWDKHJMASP-KRWDZBQOSA-N -1 3 301.411 3.691 20 0 DHADHM O=C(NCC1(C(F)(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000342945942 1025390323 /nfs/dbraw/zinc/39/03/23/1025390323.db2.gz BIGGTJQLLNRTBG-UHFFFAOYSA-N -1 3 309.287 3.618 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](Cc2ccccc2)C1 ZINC000354713624 1025487809 /nfs/dbraw/zinc/48/78/09/1025487809.db2.gz QVNOHZXGVRDTBX-AWEZNQCLSA-N -1 3 315.800 3.750 20 0 DHADHM CSc1cc(F)ccc1[N-]C(=O)c1cc(Cl)ncc1F ZINC001130090823 1025540884 /nfs/dbraw/zinc/54/08/84/1025540884.db2.gz SDBOARQUFMBJEW-UHFFFAOYSA-N -1 3 314.744 3.987 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3C[C@H]3c3ccccc3)n[n-]2)o1 ZINC000354906559 1025544480 /nfs/dbraw/zinc/54/44/80/1025544480.db2.gz DOAVQKYIZBDQLG-KBPBESRZSA-N -1 3 322.368 3.505 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628962146 1025905398 /nfs/dbraw/zinc/90/53/98/1025905398.db2.gz GLSZWAYOTPUBGW-QMMMGPOBSA-N -1 3 323.261 3.671 20 0 DHADHM [O-]c1cccnc1CSc1nc2ccccc2n1C(F)F ZINC000575978552 1025929848 /nfs/dbraw/zinc/92/98/48/1025929848.db2.gz SYONFKAAFJVAAH-UHFFFAOYSA-N -1 3 307.325 3.824 20 0 DHADHM CCOc1cc(F)c(F)cc1Nc1ncc(Cl)cc1[O-] ZINC001211799077 1026043930 /nfs/dbraw/zinc/04/39/30/1026043930.db2.gz WBXPPJIEJIFYGZ-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM COc1ccc2c(c1)C1(CC1)CN(Cc1cc([O-])cc(F)c1)C2 ZINC000356515824 1026066864 /nfs/dbraw/zinc/06/68/64/1026066864.db2.gz AJNCKTJRWZGGFG-UHFFFAOYSA-N -1 3 313.372 3.587 20 0 DHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000122169012 1026176704 /nfs/dbraw/zinc/17/67/04/1026176704.db2.gz FHKVDTPNBYQUIJ-MRVPVSSYSA-N -1 3 307.781 3.518 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)=Cc2ccc(F)cc2)c1[O-] ZINC000808189093 1026221849 /nfs/dbraw/zinc/22/18/49/1026221849.db2.gz JTMSIQSVXIRGPP-KHPPLWFESA-N -1 3 313.328 3.776 20 0 DHADHM C[C@H](CCOc1ccc2c([O-])coc2c1)OCc1ccccc1 ZINC000664133666 1026241998 /nfs/dbraw/zinc/24/19/98/1026241998.db2.gz ADRHATCNKFUSTC-CQSZACIVSA-N -1 3 312.365 3.636 20 0 DHADHM CC(C)O[C@H](COc1ccc2c([O-])coc2c1)c1ccccc1 ZINC000664137166 1026243474 /nfs/dbraw/zinc/24/34/74/1026243474.db2.gz XZPVDWZTAQIFHT-LJQANCHMSA-N -1 3 312.365 3.807 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccccc1F ZINC000808494326 1026309381 /nfs/dbraw/zinc/30/93/81/1026309381.db2.gz MWZXORFNNHEWON-ZUZCIYMTSA-N -1 3 321.298 3.556 20 0 DHADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccccc1F ZINC000808494324 1026310696 /nfs/dbraw/zinc/31/06/96/1026310696.db2.gz MWZXORFNNHEWON-MEBBXXQBSA-N -1 3 321.298 3.556 20 0 DHADHM CC(C)c1ccc(-c2nc(Cc3cncs3)no2)c([O-])c1 ZINC000280435231 1026652014 /nfs/dbraw/zinc/65/20/14/1026652014.db2.gz CEGLVSMKPVMSIF-UHFFFAOYSA-N -1 3 301.371 3.613 20 0 DHADHM COCC[C@H](C)SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419425655 1026709897 /nfs/dbraw/zinc/70/98/97/1026709897.db2.gz MBRAIELXUOPZBB-LBPRGKRZSA-N -1 3 304.415 3.507 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810326616 1026743897 /nfs/dbraw/zinc/74/38/97/1026743897.db2.gz NZNPWISNPXWBQP-UHFFFAOYSA-N -1 3 319.670 3.611 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000420272490 1026794474 /nfs/dbraw/zinc/79/44/74/1026794474.db2.gz MDWWQKGRWNPAES-MLGOLLRUSA-N -1 3 311.372 3.993 20 0 DHADHM COc1cccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000810624168 1026802691 /nfs/dbraw/zinc/80/26/91/1026802691.db2.gz MSTYWGCSWKDABJ-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM C[C@H]1C[C@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810659477 1026830730 /nfs/dbraw/zinc/83/07/30/1026830730.db2.gz TYZDUFKGQBFHNS-DTWKUNHWSA-N -1 3 313.806 3.855 20 0 DHADHM CSC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810852895 1026874111 /nfs/dbraw/zinc/87/41/11/1026874111.db2.gz LNGYZNFYYDTPPG-UHFFFAOYSA-N -1 3 301.820 3.935 20 0 DHADHM CCC(C)(C)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000811202202 1026955165 /nfs/dbraw/zinc/95/51/65/1026955165.db2.gz XPGGGEYBSGSJPB-UHFFFAOYSA-N -1 3 306.383 3.769 20 0 DHADHM CCc1cccc(C(=O)N[C@@H]2CCCc3nc(C)sc32)c1[O-] ZINC000780788983 1027104982 /nfs/dbraw/zinc/10/49/82/1027104982.db2.gz GBHQYMZHWIBMAD-CQSZACIVSA-N -1 3 316.426 3.527 20 0 DHADHM O=C([N-]c1nocc1C1CC1)c1cc(F)c(Cl)nc1Cl ZINC001133060847 1027106404 /nfs/dbraw/zinc/10/64/04/1027106404.db2.gz PDDQPBIYBHKUNQ-UHFFFAOYSA-N -1 3 316.119 3.645 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1CC=CCC1 ZINC000362244955 1027110070 /nfs/dbraw/zinc/11/00/70/1027110070.db2.gz OWSBLCJADWRQIL-LLVKDONJSA-N -1 3 308.341 3.513 20 0 DHADHM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc([O-])ccc1Cl ZINC000571434013 1027127666 /nfs/dbraw/zinc/12/76/66/1027127666.db2.gz GTDPJHQWTQKZKD-GFCCVEGCSA-N -1 3 317.772 3.802 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)c1ccc(C(F)(F)F)cc1 ZINC000812407022 1027282909 /nfs/dbraw/zinc/28/29/09/1027282909.db2.gz UVLRWJCRVSJYQD-ATRZURONSA-N -1 3 321.726 3.999 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OC/C=C\Cl ZINC000812405922 1027283805 /nfs/dbraw/zinc/28/38/05/1027283805.db2.gz KQMTUXCVHQYDJH-KMKOMSMNSA-N -1 3 317.772 3.603 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)c(F)c1 ZINC000047247867 1027560376 /nfs/dbraw/zinc/56/03/76/1027560376.db2.gz YXJUKSWQHGOSLS-SNVBAGLBSA-N -1 3 311.278 3.934 20 0 DHADHM COCC(C)(C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000813992843 1027802369 /nfs/dbraw/zinc/80/23/69/1027802369.db2.gz DTVIJILWEFBWAC-UHFFFAOYSA-N -1 3 301.795 3.712 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCCCCCC1 ZINC000527761781 1027861290 /nfs/dbraw/zinc/86/12/90/1027861290.db2.gz HWODXVPBHDNMKZ-UHFFFAOYSA-N -1 3 312.207 3.561 20 0 DHADHM O=c1cc(CSCc2csc(C3CC3)n2)nc(C2CC2)[n-]1 ZINC000577844037 1027948159 /nfs/dbraw/zinc/94/81/59/1027948159.db2.gz NJYILQNAMACEMH-UHFFFAOYSA-N -1 3 319.455 3.827 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCC12CC2 ZINC000527930023 1027990917 /nfs/dbraw/zinc/99/09/17/1027990917.db2.gz JHNLLLSHHNMBNP-SNVBAGLBSA-N -1 3 310.191 3.674 20 0 DHADHM O=C(C[C@@H]1CC=CCC1)NCc1ccc([O-])c(Br)c1 ZINC000934944144 1028167032 /nfs/dbraw/zinc/16/70/32/1028167032.db2.gz FTHMZBHURDSNSE-LLVKDONJSA-N -1 3 324.218 3.517 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NCCCCCc1ccccc1 ZINC000448888668 1028171460 /nfs/dbraw/zinc/17/14/60/1028171460.db2.gz XLERLIKLGFGRCK-UHFFFAOYSA-N -1 3 315.388 3.603 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCCc3ccccc32)c1[O-] ZINC000578632548 1028199285 /nfs/dbraw/zinc/19/92/85/1028199285.db2.gz CIWZSZOYHJUYJP-HXUWFJFHSA-N -1 3 323.392 3.828 20 0 DHADHM Cc1ccc2oc(C(=O)Nc3c([O-])cccc3Cl)cc2n1 ZINC000579165812 1028338169 /nfs/dbraw/zinc/33/81/69/1028338169.db2.gz ASDQBLJASCQIMP-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2ccc(Cl)cn2)no1 ZINC000368795343 1028412045 /nfs/dbraw/zinc/41/20/45/1028412045.db2.gz CWRVSGUUKFUXCW-UHFFFAOYSA-N -1 3 319.773 3.783 20 0 DHADHM C[C@@H](CNc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564504684 1028464250 /nfs/dbraw/zinc/46/42/50/1028464250.db2.gz LCMYMJRDDODDHD-AWEZNQCLSA-N -1 3 320.392 3.776 20 0 DHADHM C[C@@](O)(CC/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000189355855 1028572039 /nfs/dbraw/zinc/57/20/39/1028572039.db2.gz XPAQQZZDJCJQEC-MIQLPHMESA-N -1 3 303.789 3.762 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC000565487626 1028593934 /nfs/dbraw/zinc/59/39/34/1028593934.db2.gz VYTWDOZAUSZAJR-UWVGGRQHSA-N -1 3 312.207 3.520 20 0 DHADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626914864 1028689370 /nfs/dbraw/zinc/68/93/70/1028689370.db2.gz IFMRPAYYXUENQH-LJQANCHMSA-N -1 3 313.372 3.720 20 0 DHADHM [O-]c1ccc(F)c(CN2CC3(CCC3)[C@H]2c2ccco2)c1F ZINC000449638702 1028886897 /nfs/dbraw/zinc/88/68/97/1028886897.db2.gz LTRXSKITWLZZHF-MRXNPFEDSA-N -1 3 305.324 3.991 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cnc(Cl)s2)c([O-])c1 ZINC000816502956 1028908324 /nfs/dbraw/zinc/90/83/24/1028908324.db2.gz XCFZTRJEMRBHJY-UHFFFAOYSA-N -1 3 310.806 3.556 20 0 DHADHM [O-]c1ccc(F)c(CN2CCS[C@H](c3ccccc3)C2)c1F ZINC000816512811 1028912521 /nfs/dbraw/zinc/91/25/21/1028912521.db2.gz VPJWNFQAERVJKT-INIZCTEOSA-N -1 3 321.392 3.961 20 0 DHADHM CC(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1C ZINC000816524205 1028933019 /nfs/dbraw/zinc/93/30/19/1028933019.db2.gz WLNMFKSCEJDQPR-UHFFFAOYSA-N -1 3 306.312 3.549 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC4(CCC4)C[C@H]3C)nc2)n1 ZINC000373037010 1028940544 /nfs/dbraw/zinc/94/05/44/1028940544.db2.gz NYQRMKVMHXEYRG-CYBMUJFWSA-N -1 3 324.428 3.576 20 0 DHADHM Cc1nc2c(s1)[C@H](NCc1c(F)ccc([O-])c1F)CCC2 ZINC000816566510 1028950029 /nfs/dbraw/zinc/95/00/29/1028950029.db2.gz XSBYLCMEGIKVBD-LLVKDONJSA-N -1 3 310.369 3.603 20 0 DHADHM CN1CCCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233380 1028953100 /nfs/dbraw/zinc/95/31/00/1028953100.db2.gz YIEDIOCCCOQKEK-HNNXBMFYSA-N -1 3 318.804 3.622 20 0 DHADHM Cc1nc2cc(C(F)(F)F)c(-c3ccc([O-])cc3F)cn2n1 ZINC001206087515 1029087729 /nfs/dbraw/zinc/08/77/29/1029087729.db2.gz CWJBOQQORZEBAT-UHFFFAOYSA-N -1 3 311.238 3.568 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@@H]3C=CCCC3)c2)n1 ZINC000778651722 1029093067 /nfs/dbraw/zinc/09/30/67/1029093067.db2.gz PYUZTHIAPSTJIN-CQSZACIVSA-N -1 3 324.380 3.809 20 0 DHADHM O=C([N-]OC1CCCCC1)C1(Cc2cccc(F)c2)CCC1 ZINC000779321046 1029093661 /nfs/dbraw/zinc/09/36/61/1029093661.db2.gz TZCVFSOMKSKTOJ-UHFFFAOYSA-N -1 3 305.393 3.919 20 0 DHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCCC2CC2)cc1 ZINC000817420931 1029155675 /nfs/dbraw/zinc/15/56/75/1029155675.db2.gz GMLJJNPHHCMSLY-UHFFFAOYSA-N -1 3 317.429 3.832 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c([O-])c1 ZINC000817997261 1029304889 /nfs/dbraw/zinc/30/48/89/1029304889.db2.gz LEBSEQLSRBAXCG-MRXNPFEDSA-N -1 3 316.445 3.940 20 0 DHADHM CCc1cc(=O)[n-]c(CSCC[C@@H]2CC2(Cl)Cl)n1 ZINC000818151778 1029342866 /nfs/dbraw/zinc/34/28/66/1029342866.db2.gz IDTGQMOWPOANKB-MRVPVSSYSA-N -1 3 307.246 3.562 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(Cc3cccs3)C2)c([O-])c1 ZINC000629624821 1029390610 /nfs/dbraw/zinc/39/06/10/1029390610.db2.gz BGZGXVIYNVJULI-UHFFFAOYSA-N -1 3 315.438 3.892 20 0 DHADHM CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)cc1[O-] ZINC000412357167 1029415666 /nfs/dbraw/zinc/41/56/66/1029415666.db2.gz HBKUVXNQLZWWBX-GOSISDBHSA-N -1 3 323.392 3.518 20 0 DHADHM O=C(C=Cc1ccccc1Cl)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213235 1029688736 /nfs/dbraw/zinc/68/87/36/1029688736.db2.gz JJWOWSNIJWABGU-YVMONPNESA-N -1 3 313.744 3.574 20 0 DHADHM CC(C)c1oncc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC001136358938 1029749165 /nfs/dbraw/zinc/74/91/65/1029749165.db2.gz LEYBDRRQYMOOTD-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM O=C(Cc1csc(C2CC2)n1)Nc1cc(Cl)ccc1[O-] ZINC000821142360 1029815113 /nfs/dbraw/zinc/81/51/13/1029815113.db2.gz CGYHAFMVCWXHPX-UHFFFAOYSA-N -1 3 308.790 3.561 20 0 DHADHM O=C(Cc1csc(C2CC2)n1)Nc1ccc(Cl)cc1[O-] ZINC000821344412 1029830147 /nfs/dbraw/zinc/83/01/47/1029830147.db2.gz RSOLUQKHNMKUGX-UHFFFAOYSA-N -1 3 308.790 3.561 20 0 DHADHM O=C(OCC[C@H]1CCCCO1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085710 1030016375 /nfs/dbraw/zinc/01/63/75/1030016375.db2.gz PIGXIKZUNKKGID-SNVBAGLBSA-N -1 3 324.327 3.617 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)C1=Cc2cc(F)ccc2OC1 ZINC000557183506 1030042743 /nfs/dbraw/zinc/04/27/43/1030042743.db2.gz KCMPWAQXRQAMIJ-UHFFFAOYSA-N -1 3 319.719 3.599 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000794871125 1030044930 /nfs/dbraw/zinc/04/49/30/1030044930.db2.gz PSOOMBKVUMJVJA-CYBMUJFWSA-N -1 3 311.447 3.661 20 0 DHADHM COc1cccc(-c2nc(CC3CCC(F)(F)CC3)no2)c1[O-] ZINC000924257882 1030068300 /nfs/dbraw/zinc/06/83/00/1030068300.db2.gz RZJQMZOAMSDIFS-UHFFFAOYSA-N -1 3 324.327 3.819 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CCC(F)(F)CC1 ZINC000290818113 1030207933 /nfs/dbraw/zinc/20/79/33/1030207933.db2.gz GOZKUBUDTZBSTF-UHFFFAOYSA-N -1 3 303.736 3.696 20 0 DHADHM O=C(Nc1cccc(-c2ccccc2)c1)c1cccc2n[n-]nc21 ZINC000557947276 1030352353 /nfs/dbraw/zinc/35/23/53/1030352353.db2.gz HBSNTXFUMJQCNG-UHFFFAOYSA-N -1 3 314.348 3.877 20 0 DHADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cc([O-])cc(F)c1 ZINC000925729663 1030468026 /nfs/dbraw/zinc/46/80/26/1030468026.db2.gz LRBGARHIVRDUGC-GFCCVEGCSA-N -1 3 314.360 3.831 20 0 DHADHM C[S@@](=O)(=NC(=O)c1cc2ccsc2[n-]1)C1CCCCC1 ZINC000926012525 1030577086 /nfs/dbraw/zinc/57/70/86/1030577086.db2.gz YAVSTKLDRQIFCU-FQEVSTJZSA-N -1 3 310.444 3.800 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1(C)C ZINC001136924083 1030614748 /nfs/dbraw/zinc/61/47/48/1030614748.db2.gz NXJDTIKZOSHHDM-IAGOWNOFSA-N -1 3 319.445 3.791 20 0 DHADHM CCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001212007601 1030644256 /nfs/dbraw/zinc/64/42/56/1030644256.db2.gz PXHISTSUKBACNL-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM [O-]c1ccc(Nc2c(O)cccc2Br)c(F)c1F ZINC001212009458 1030650308 /nfs/dbraw/zinc/65/03/08/1030650308.db2.gz PJQZTNLXEPTBJY-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1oc2ccc(F)cc2c1C ZINC000339083108 1030655577 /nfs/dbraw/zinc/65/55/77/1030655577.db2.gz BPOFJIDBKBGSGC-UHFFFAOYSA-N -1 3 302.305 3.991 20 0 DHADHM CS[C@@H](C)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000358893680 1030667632 /nfs/dbraw/zinc/66/76/32/1030667632.db2.gz SPNGYCWKHWBIKI-QMMMGPOBSA-N -1 3 307.337 3.881 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c([O-])c1 ZINC001136967138 1030679736 /nfs/dbraw/zinc/67/97/36/1030679736.db2.gz TVUCOSSPBDMLCV-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2F)[C@@H]2CCC[C@H]21 ZINC000629373596 1030799194 /nfs/dbraw/zinc/79/91/94/1030799194.db2.gz KEBUYMJNRPMDKU-GZBFAFLISA-N -1 3 311.784 3.554 20 0 DHADHM CCCO[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000844086630 1030951213 /nfs/dbraw/zinc/95/12/13/1030951213.db2.gz WFKJBAIYXJVNOU-UHFFFAOYSA-N -1 3 318.200 3.804 20 0 DHADHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212093885 1031007149 /nfs/dbraw/zinc/00/71/49/1031007149.db2.gz NXNRVDRAJHZWNY-DGCLKSJQSA-N -1 3 322.257 3.706 20 0 DHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC000871268467 1031177590 /nfs/dbraw/zinc/17/75/90/1031177590.db2.gz DPLFNZHEESJINL-UHFFFAOYSA-N -1 3 316.254 3.915 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871326319 1031195805 /nfs/dbraw/zinc/19/58/05/1031195805.db2.gz DJQVIQAIJWJUPW-CQSZACIVSA-N -1 3 323.820 3.609 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000455668851 1031278586 /nfs/dbraw/zinc/27/85/86/1031278586.db2.gz ZRMCTDNPUYBRTE-CYBMUJFWSA-N -1 3 315.335 3.795 20 0 DHADHM CCOc1cccc(F)c1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000871877218 1031369368 /nfs/dbraw/zinc/36/93/68/1031369368.db2.gz BPVUDULRKVZBIV-QWHCGFSZSA-N -1 3 311.397 3.594 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000536711715 1031413341 /nfs/dbraw/zinc/41/33/41/1031413341.db2.gz JXHZHGJADYFUNQ-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM COc1cccc(C2(N[C@@H](C)c3cccc([O-])c3F)CC2)c1 ZINC000872054825 1031445287 /nfs/dbraw/zinc/44/52/87/1031445287.db2.gz BZFZLBDAOOYMCQ-LBPRGKRZSA-N -1 3 301.361 3.880 20 0 DHADHM C[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000872166983 1031547431 /nfs/dbraw/zinc/54/74/31/1031547431.db2.gz ZCJQLQAOSXZZHQ-WCQYABFASA-N -1 3 321.726 3.740 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccccc2OCC2CC2)c1F ZINC000293660621 1031560476 /nfs/dbraw/zinc/56/04/76/1031560476.db2.gz PMOITSYGXHMSOR-UHFFFAOYSA-N -1 3 319.351 3.749 20 0 DHADHM CC(C)OCCON=c1cc(-c2cccc(Cl)c2)nc[n-]1 ZINC000872551151 1031625556 /nfs/dbraw/zinc/62/55/56/1031625556.db2.gz AVQIVMPNTHPTEL-UHFFFAOYSA-N -1 3 307.781 3.566 20 0 DHADHM Cc1ccc(OC(C)C)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631250 1031781689 /nfs/dbraw/zinc/78/16/89/1031781689.db2.gz LTGKUNXWKPJDKS-UHFFFAOYSA-N -1 3 317.360 3.808 20 0 DHADHM CCCN(CCc1ccccn1)Cc1cc(F)c([O-])cc1F ZINC001144657624 1031796016 /nfs/dbraw/zinc/79/60/16/1031796016.db2.gz APTWJXRXWUSDFT-UHFFFAOYSA-N -1 3 306.356 3.520 20 0 DHADHM CCc1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001144644880 1031797342 /nfs/dbraw/zinc/79/73/42/1031797342.db2.gz CSDISFAXHRNBRC-UHFFFAOYSA-N -1 3 315.388 3.733 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001144667144 1031804503 /nfs/dbraw/zinc/80/45/03/1031804503.db2.gz URCMFKASHRJQRU-AWEZNQCLSA-N -1 3 303.352 3.735 20 0 DHADHM Cc1ccc(N(CC(C)C)C(=O)c2cccc3n[n-]nc32)c(C)c1 ZINC000846300045 1031955631 /nfs/dbraw/zinc/95/56/31/1031955631.db2.gz ZXSAAPDHXLTSRD-UHFFFAOYSA-N -1 3 322.412 3.878 20 0 DHADHM Cc1ccc2c(c1C)OC[C@H]2NCc1c(F)ccc([O-])c1F ZINC000294368725 1031961693 /nfs/dbraw/zinc/96/16/93/1031961693.db2.gz UFVYTOBAFZOMKT-CQSZACIVSA-N -1 3 305.324 3.511 20 0 DHADHM O=C(NCCC[C@H]1CC1(Cl)Cl)c1cc([O-])ccc1Cl ZINC000846593103 1032022134 /nfs/dbraw/zinc/02/21/34/1032022134.db2.gz RAITVOPKAZKVRS-QMMMGPOBSA-N -1 3 322.619 3.749 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(F)cc1Cl ZINC000044253203 1032042511 /nfs/dbraw/zinc/04/25/11/1032042511.db2.gz UTSHZCHCIMZESX-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777958397 1032043199 /nfs/dbraw/zinc/04/31/99/1032043199.db2.gz LMPWVNMQJBKKDJ-CQSZACIVSA-N -1 3 305.418 3.644 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2scnc2CC)s1 ZINC000136581170 1033309143 /nfs/dbraw/zinc/30/91/43/1033309143.db2.gz HZPGJVKSDLAPMN-UHFFFAOYSA-N -1 3 310.448 3.542 20 0 DHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001137246553 1033340623 /nfs/dbraw/zinc/34/06/23/1033340623.db2.gz GKMJMBAGHLFDMR-OCCSQVGLSA-N -1 3 311.472 3.518 20 0 DHADHM O=C(C[C@H]1OCCc2ccccc21)Nc1c([O-])cccc1Cl ZINC000552780900 1033509661 /nfs/dbraw/zinc/50/96/61/1033509661.db2.gz VTBYVHQXPHBLHH-OAHLLOKOSA-N -1 3 317.772 3.688 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CC1CC1)CC1CCC1 ZINC000478627537 1033535496 /nfs/dbraw/zinc/53/54/96/1033535496.db2.gz VOCXGHPUHMNUAX-UHFFFAOYSA-N -1 3 319.420 3.893 20 0 DHADHM Cc1ccc(C(F)(F)F)c(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708339 1033569087 /nfs/dbraw/zinc/56/90/87/1033569087.db2.gz FGNZISRCQJSMRQ-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cnc(CC3CC3)s2)s1 ZINC000878068061 1033570503 /nfs/dbraw/zinc/57/05/03/1033570503.db2.gz JYZSLXYZWZIMLW-UHFFFAOYSA-N -1 3 322.459 3.542 20 0 DHADHM Cc1nc(CCCC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000153716352 1033592463 /nfs/dbraw/zinc/59/24/63/1033592463.db2.gz JKGSFQYUPDSHEV-UHFFFAOYSA-N -1 3 310.806 3.772 20 0 DHADHM CC(C)CC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878190618 1033616892 /nfs/dbraw/zinc/61/68/92/1033616892.db2.gz IWWAFCLNSRVFQM-UHFFFAOYSA-N -1 3 315.417 3.700 20 0 DHADHM CC(C)(C)C1=CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878306784 1033655456 /nfs/dbraw/zinc/65/54/56/1033655456.db2.gz HMUUVEHRFCNNFI-UHFFFAOYSA-N -1 3 313.401 3.620 20 0 DHADHM Cc1cccc([C@H](C)NCc2nnc(-c3ccccc3[O-])o2)c1C ZINC000878363874 1033675189 /nfs/dbraw/zinc/67/51/89/1033675189.db2.gz BFQVNZXBUFWQPT-AWEZNQCLSA-N -1 3 323.396 3.910 20 0 DHADHM Cc1ccccc1C1(NCc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878760133 1033822758 /nfs/dbraw/zinc/82/27/58/1033822758.db2.gz JVGUMKYEUOAGJW-UHFFFAOYSA-N -1 3 321.380 3.530 20 0 DHADHM CCOC(=O)c1nc(Cl)sc1[N-]c1c(F)cccc1F ZINC001173860048 1033891876 /nfs/dbraw/zinc/89/18/76/1033891876.db2.gz MUSHLOPVGHIMBH-UHFFFAOYSA-N -1 3 318.732 3.995 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC(F)(F)CC1 ZINC000862713892 1033914061 /nfs/dbraw/zinc/91/40/61/1033914061.db2.gz CTEGSZPWABVWAR-UHFFFAOYSA-N -1 3 305.324 3.807 20 0 DHADHM CC(C)(C)c1cc2c([n-]c(COC3CCCC3)nc2=O)s1 ZINC000174447273 1033931337 /nfs/dbraw/zinc/93/13/37/1033931337.db2.gz GIQNPGPNBBCYLW-UHFFFAOYSA-N -1 3 306.431 3.741 20 0 DHADHM COc1cccc(OC)c1Nc1cccc([O-])c1Br ZINC001173925024 1033958332 /nfs/dbraw/zinc/95/83/32/1033958332.db2.gz VDIBTIMSALZDPZ-UHFFFAOYSA-N -1 3 324.174 3.916 20 0 DHADHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000863011695 1033976210 /nfs/dbraw/zinc/97/62/10/1033976210.db2.gz MXNYWEKMNKJZKP-SECBINFHSA-N -1 3 311.353 3.867 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc2c(c1)CCO2 ZINC001174012897 1034041478 /nfs/dbraw/zinc/04/14/78/1034041478.db2.gz XLQJLXFYBJQYEN-UHFFFAOYSA-N -1 3 324.149 3.972 20 0 DHADHM CC(C)(C)NC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001174124158 1034145488 /nfs/dbraw/zinc/14/54/88/1034145488.db2.gz DQYAHRWQDYNKAR-UHFFFAOYSA-N -1 3 316.405 3.639 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000177921781 1034197753 /nfs/dbraw/zinc/19/77/53/1034197753.db2.gz QHIAHBOEYDTBRF-YVEFUNNKSA-N -1 3 315.392 3.822 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174195267 1034215640 /nfs/dbraw/zinc/21/56/40/1034215640.db2.gz LGMLSLBISPERRB-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cnccc1Oc1ccccc1 ZINC000554570348 1034223132 /nfs/dbraw/zinc/22/31/32/1034223132.db2.gz DPXCUANNMQWTDJ-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc3oc(CO)cc3c2)c1F ZINC000864042058 1034271571 /nfs/dbraw/zinc/27/15/71/1034271571.db2.gz UPOSIKXKFJSEFU-UHFFFAOYSA-N -1 3 305.280 3.521 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3c(s2)CCC3(C)C)c([O-])c1 ZINC001142601993 1034317220 /nfs/dbraw/zinc/31/72/20/1034317220.db2.gz RORKVRCVUSSUFE-UHFFFAOYSA-N -1 3 302.399 3.633 20 0 DHADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2nc3ccccc3o2)n1 ZINC000183278092 1034370130 /nfs/dbraw/zinc/37/01/30/1034370130.db2.gz MZLVJKSIKOVKRK-SNVBAGLBSA-N -1 3 315.398 3.880 20 0 DHADHM O=C([O-])CCc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000864518593 1034370975 /nfs/dbraw/zinc/37/09/75/1034370975.db2.gz ODVCUYXIQIBEND-UHFFFAOYSA-N -1 3 309.818 3.709 20 0 DHADHM [O-]c1cccc(Nc2cnn(CC3CC3)c2)c1Br ZINC001174472111 1034430990 /nfs/dbraw/zinc/43/09/90/1034430990.db2.gz ZAVSYHUMQGMYDW-UHFFFAOYSA-N -1 3 308.179 3.505 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2c(c1)CCCO2 ZINC001174719580 1034580188 /nfs/dbraw/zinc/58/01/88/1034580188.db2.gz JJAZNEQEQUDBKJ-UHFFFAOYSA-N -1 3 321.174 3.618 20 0 DHADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)Cc1ccsc1 ZINC000186370723 1034624700 /nfs/dbraw/zinc/62/47/00/1034624700.db2.gz ABIASYOETPOBRN-LBPRGKRZSA-N -1 3 319.426 3.556 20 0 DHADHM O=C(C[C@H]1C=CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000186908120 1034674473 /nfs/dbraw/zinc/67/44/73/1034674473.db2.gz HLRGNDUDFWPGHE-NSHDSACASA-N -1 3 324.218 3.517 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc2ncccc21 ZINC001174905558 1034672515 /nfs/dbraw/zinc/67/25/15/1034672515.db2.gz TUPAPQCYZVGRPJ-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM O=C(C[C@@H]1C=CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000186908139 1034674374 /nfs/dbraw/zinc/67/43/74/1034674374.db2.gz HLRGNDUDFWPGHE-LLVKDONJSA-N -1 3 324.218 3.517 20 0 DHADHM CN(C)c1cccc(Nc2cccc([O-])c2Br)c1 ZINC001174966565 1034713480 /nfs/dbraw/zinc/71/34/80/1034713480.db2.gz VRWOMFLJOYHATH-UHFFFAOYSA-N -1 3 307.191 3.964 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)c2ccccc12 ZINC001174986898 1034748974 /nfs/dbraw/zinc/74/89/74/1034748974.db2.gz GVRQNXYGCUQLHL-UHFFFAOYSA-N -1 3 312.394 3.531 20 0 DHADHM O=c1cc(Nc2cc(F)cc(C(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001175062316 1034754001 /nfs/dbraw/zinc/75/40/01/1034754001.db2.gz DPPVQCSOMYCPRT-UHFFFAOYSA-N -1 3 313.254 3.961 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175103019 1034784373 /nfs/dbraw/zinc/78/43/73/1034784373.db2.gz QYNCRRLHMJAAGQ-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1Cl ZINC001175101960 1034784486 /nfs/dbraw/zinc/78/44/86/1034784486.db2.gz BHMDGIOTWJPFDO-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1ccc(F)c(Nc2cc(=O)[n-]n2C2CCCC2)c1F ZINC001175116642 1034792831 /nfs/dbraw/zinc/79/28/31/1034792831.db2.gz ZLNNYSNYYRSBLX-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000192724898 1034815453 /nfs/dbraw/zinc/81/54/53/1034815453.db2.gz ZMRIEFXFBFIDKB-RISCZKNCSA-N -1 3 305.809 3.946 20 0 DHADHM [O-]c1cccc(Nc2c(F)ccc(O)c2F)c1Br ZINC001175271083 1034917965 /nfs/dbraw/zinc/91/79/65/1034917965.db2.gz RABXBHYQYOWWHD-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(C)C)[n-]1 ZINC000600368820 1034890970 /nfs/dbraw/zinc/89/09/70/1034890970.db2.gz JUZUQYCWCPYOIA-UHFFFAOYSA-N -1 3 320.776 3.830 20 0 DHADHM [O-]c1ccc(F)c(Nc2cncc(Br)c2)c1F ZINC001175261541 1034912616 /nfs/dbraw/zinc/91/26/16/1034912616.db2.gz LWLAXSILVOVSNI-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CCOC(=O)c1ccc(OC)cc1Nc1c(F)ccc([O-])c1F ZINC001175269976 1034915857 /nfs/dbraw/zinc/91/58/57/1034915857.db2.gz PQIXDZBRYFCHKP-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CC1(C)NC(=O)Nc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175271663 1034918436 /nfs/dbraw/zinc/91/84/36/1034918436.db2.gz ZKSRRRMESTXVRS-UHFFFAOYSA-N -1 3 319.311 3.784 20 0 DHADHM c1ccc(N2CCCCC2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429703 1034977491 /nfs/dbraw/zinc/97/74/91/1034977491.db2.gz NJWDLSDLNCEAGA-UHFFFAOYSA-N -1 3 320.400 3.601 20 0 DHADHM Fc1cccc(C(F)(F)F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429635 1034978223 /nfs/dbraw/zinc/97/82/23/1034978223.db2.gz XVUXRWWFVUYDFJ-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(OC2CCCC2)c1 ZINC001175429348 1034978540 /nfs/dbraw/zinc/97/85/40/1034978540.db2.gz HXRGFEJWSVURNG-UHFFFAOYSA-N -1 3 321.384 3.932 20 0 DHADHM Fc1ccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001175432822 1034980016 /nfs/dbraw/zinc/98/00/16/1034980016.db2.gz LASNEZAIQCSBAR-UHFFFAOYSA-N -1 3 305.316 3.903 20 0 DHADHM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175430177 1034980178 /nfs/dbraw/zinc/98/01/78/1034980178.db2.gz IURJUQCHQTZMFT-UHFFFAOYSA-N -1 3 315.764 3.662 20 0 DHADHM Fc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175430018 1034981192 /nfs/dbraw/zinc/98/11/92/1034981192.db2.gz ANCZREFZCVOVMO-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Fc1ccc(Cl)c(F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430741 1034981302 /nfs/dbraw/zinc/98/13/02/1034981302.db2.gz WDTNKARIYVFSKE-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Cc1c(F)ccc(Nc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001175433467 1034983037 /nfs/dbraw/zinc/98/30/37/1034983037.db2.gz XQUXDGKCIZETCT-UHFFFAOYSA-N -1 3 303.728 3.711 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000482013856 1035044717 /nfs/dbraw/zinc/04/47/17/1035044717.db2.gz YJCQWUVGAYAHMF-ZWNOBZJWSA-N -1 3 315.335 3.758 20 0 DHADHM O=C(NC1CC1)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001175608451 1035062524 /nfs/dbraw/zinc/06/25/24/1035062524.db2.gz DJLBXQSNVAABIX-UHFFFAOYSA-N -1 3 302.761 3.681 20 0 DHADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000668023743 1035091994 /nfs/dbraw/zinc/09/19/94/1035091994.db2.gz NLFXOLMVIRENSN-BLLLJJGKSA-N -1 3 303.402 3.636 20 0 DHADHM CC(=O)OCc1cccc(C)c1Nc1cc([O-])c(F)cc1F ZINC001212771548 1035134679 /nfs/dbraw/zinc/13/46/79/1035134679.db2.gz XSNBRIGFLFPXPU-UHFFFAOYSA-N -1 3 307.296 3.786 20 0 DHADHM Cc1ccc(Nc2cc(C(=O)N(C)C)ccc2F)c(Cl)c1[O-] ZINC001176046020 1035184962 /nfs/dbraw/zinc/18/49/62/1035184962.db2.gz FZMYGKXQGQMOGT-UHFFFAOYSA-N -1 3 322.767 3.939 20 0 DHADHM [O-]c1cc(F)c(Nc2cnn(Cc3cccs3)c2)cc1F ZINC001176163189 1035221372 /nfs/dbraw/zinc/22/13/72/1035221372.db2.gz WBPFMJUHZWEFPE-UHFFFAOYSA-N -1 3 307.325 3.720 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1[O-] ZINC000668210774 1035231355 /nfs/dbraw/zinc/23/13/55/1035231355.db2.gz LHSDAXYFMRGAKY-UHFFFAOYSA-N -1 3 309.365 3.578 20 0 DHADHM CSc1cc(O)ccc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000194600550 1035236375 /nfs/dbraw/zinc/23/63/75/1035236375.db2.gz NDXOQUGYERGKSI-UHFFFAOYSA-N -1 3 323.443 3.515 20 0 DHADHM Cc1cc(C)c(/C=C/CNCc2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000903997818 1035336121 /nfs/dbraw/zinc/33/61/21/1035336121.db2.gz XCNJDQRKDLDNQR-AATRIKPKSA-N -1 3 324.424 3.816 20 0 DHADHM Cc1cc(C)c(/C=C\CNCc2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000903997819 1035336405 /nfs/dbraw/zinc/33/64/05/1035336405.db2.gz XCNJDQRKDLDNQR-WAYWQWQTSA-N -1 3 324.424 3.816 20 0 DHADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)F)nc2)c1 ZINC000904046095 1035352517 /nfs/dbraw/zinc/35/25/17/1035352517.db2.gz UVPWZXIWIXPODO-OAHLLOKOSA-N -1 3 320.339 3.633 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000904288789 1035396387 /nfs/dbraw/zinc/39/63/87/1035396387.db2.gz ISLAKOMOXOORLE-UHFFFAOYSA-N -1 3 304.708 3.826 20 0 DHADHM [O-]c1ccc(Cc2nc(Cc3ccccc3Cl)no2)cc1F ZINC000904372459 1035406441 /nfs/dbraw/zinc/40/64/41/1035406441.db2.gz NWDCSGYPLURHNE-UHFFFAOYSA-N -1 3 318.735 3.749 20 0 DHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c(F)cc(C)cc2Cl)C1 ZINC000904397189 1035411117 /nfs/dbraw/zinc/41/11/17/1035411117.db2.gz BEVNDXRJMZHHSK-INIZCTEOSA-N -1 3 313.800 3.864 20 0 DHADHM CCCOc1ccc2c(c1)CCN(Cc1ccc([O-])c(F)c1)C2 ZINC001179979270 1035553331 /nfs/dbraw/zinc/55/33/31/1035553331.db2.gz DZMFWTJBEWSJJK-UHFFFAOYSA-N -1 3 315.388 3.878 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436833238 1035609062 /nfs/dbraw/zinc/60/90/62/1035609062.db2.gz VBUBUDDJRDTDCY-UHFFFAOYSA-N -1 3 319.401 3.553 20 0 DHADHM C[C@H](N[C@H]1CC[C@@H](C(F)(F)C(=O)[O-])C1)c1c(F)cccc1F ZINC000905726369 1035630384 /nfs/dbraw/zinc/63/03/84/1035630384.db2.gz BAVLKOOWMREEAG-AEJSXWLSSA-N -1 3 319.298 3.504 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)C1CCC1 ZINC000457848263 1035660097 /nfs/dbraw/zinc/66/00/97/1035660097.db2.gz PAEBBTCZWVHRAG-QMMMGPOBSA-N -1 3 312.207 3.838 20 0 DHADHM COc1ccccc1/C=C/C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180530876 1035703311 /nfs/dbraw/zinc/70/33/11/1035703311.db2.gz VIOCIIXGDZRRQU-VOTSOKGWSA-N -1 3 303.745 3.706 20 0 DHADHM Cc1cccc(C)c1CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758438 1035729058 /nfs/dbraw/zinc/72/90/58/1035729058.db2.gz RHOGUYHCAJSGIE-UHFFFAOYSA-N -1 3 323.314 3.958 20 0 DHADHM CC(C)(CNC(=O)c1ccc([O-])cc1C(F)(F)F)CC1CC1 ZINC001193759331 1035730216 /nfs/dbraw/zinc/73/02/16/1035730216.db2.gz TTYSIEPPRUHKMU-UHFFFAOYSA-N -1 3 315.335 3.967 20 0 DHADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758110 1035730692 /nfs/dbraw/zinc/73/06/92/1035730692.db2.gz MARZGYZUFNDRRL-NXEZZACHSA-N -1 3 303.324 3.966 20 0 DHADHM CC(C)COC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001193845634 1035751784 /nfs/dbraw/zinc/75/17/84/1035751784.db2.gz LTOLORYTTDDOML-UHFFFAOYSA-N -1 3 309.362 3.552 20 0 DHADHM Cc1ccccc1[C@@H](C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906106627 1035769438 /nfs/dbraw/zinc/76/94/38/1035769438.db2.gz KQCYUAZHUCOFGM-LLVKDONJSA-N -1 3 322.368 3.570 20 0 DHADHM Cc1ccc(CNC(=O)c2c(C)cc(O)cc2[O-])c2ccccc12 ZINC001193946040 1035793356 /nfs/dbraw/zinc/79/33/56/1035793356.db2.gz MVOGUTMROXUYMJ-UHFFFAOYSA-N -1 3 321.376 3.798 20 0 DHADHM Cc1cc([C@H](C)NC(=O)c2c(C)cc(O)cc2[O-])ccc1Cl ZINC001193945716 1035794158 /nfs/dbraw/zinc/79/41/58/1035794158.db2.gz IVESRURVQJJLCA-NSHDSACASA-N -1 3 319.788 3.859 20 0 DHADHM O=C(Nc1cccc2cc(O)ccc21)c1cnc(C(F)(F)F)[n-]1 ZINC001194783055 1036019443 /nfs/dbraw/zinc/01/94/43/1036019443.db2.gz BVSRFCDEMDPMHP-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CC[C@@H](C)COC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001194811864 1036039828 /nfs/dbraw/zinc/03/98/28/1036039828.db2.gz RWJDJXCDFQJBMC-LLVKDONJSA-N -1 3 323.389 3.942 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(=O)[nH]1 ZINC000540427155 1036065915 /nfs/dbraw/zinc/06/59/15/1036065915.db2.gz SDKGWGXMACHUST-UHFFFAOYSA-N -1 3 306.749 3.522 20 0 DHADHM CC(C=Cc1cc(=O)[n-]c(-c2ccncc2)n1)=Cc1ccccc1 ZINC000486106291 1036131453 /nfs/dbraw/zinc/13/14/53/1036131453.db2.gz ZSBIQVXIWXWRNO-FZICUBIDSA-N -1 3 315.376 3.949 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cnc(-c3cccs3)s2)n1 ZINC000486129734 1036141313 /nfs/dbraw/zinc/14/13/13/1036141313.db2.gz YOHIXEQBNHKTLK-SNAWJCMRSA-N -1 3 301.396 3.846 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1csc(C2CC2)n1 ZINC000153249491 1036155088 /nfs/dbraw/zinc/15/50/88/1036155088.db2.gz WUXYMEZAEDIDSM-UHFFFAOYSA-N -1 3 308.447 3.929 20 0 DHADHM Cc1ccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c(F)c1 ZINC001195155936 1036162178 /nfs/dbraw/zinc/16/21/78/1036162178.db2.gz RKWFFQUFCWXBJF-UHFFFAOYSA-N -1 3 323.371 3.933 20 0 DHADHM O=C([N-]c1noc2cnccc21)c1sccc1C(F)(F)F ZINC001195206057 1036179285 /nfs/dbraw/zinc/17/92/85/1036179285.db2.gz GGHFYZQXWCWPDC-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC001195428199 1036257046 /nfs/dbraw/zinc/25/70/46/1036257046.db2.gz UHJJKEDICBUIGQ-UHFFFAOYSA-N -1 3 322.257 3.708 20 0 DHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000229338069 1036262353 /nfs/dbraw/zinc/26/23/53/1036262353.db2.gz ZEQCFYDDRAITEB-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM COc1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001195704927 1036319265 /nfs/dbraw/zinc/31/92/65/1036319265.db2.gz OKABVVBWODQIOP-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195755711 1036327982 /nfs/dbraw/zinc/32/79/82/1036327982.db2.gz XYDDKIUTPSXIDB-LBPRGKRZSA-N -1 3 305.399 3.707 20 0 DHADHM CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195755711 1036328010 /nfs/dbraw/zinc/32/80/10/1036328010.db2.gz XYDDKIUTPSXIDB-LBPRGKRZSA-N -1 3 305.399 3.707 20 0 DHADHM CCCCc1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195803054 1036355691 /nfs/dbraw/zinc/35/56/91/1036355691.db2.gz VPPQJSQQEFXVMD-UHFFFAOYSA-N -1 3 305.399 3.536 20 0 DHADHM CCCCc1ccccc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195803054 1036355706 /nfs/dbraw/zinc/35/57/06/1036355706.db2.gz VPPQJSQQEFXVMD-UHFFFAOYSA-N -1 3 305.399 3.536 20 0 DHADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000053457730 1036374555 /nfs/dbraw/zinc/37/45/55/1036374555.db2.gz ZNZWIJUKGZSGHU-CQSZACIVSA-N -1 3 320.392 3.670 20 0 DHADHM CC(C)(C)Cc1cc([N-]C(=O)C(=O)c2ccc(Cl)cc2)on1 ZINC001182891878 1036476496 /nfs/dbraw/zinc/47/64/96/1036476496.db2.gz FAKHLMLDNFCTAJ-UHFFFAOYSA-N -1 3 320.776 3.738 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000775739143 1036592901 /nfs/dbraw/zinc/59/29/01/1036592901.db2.gz CYLGDBBVUZURLU-LDADJPATSA-N -1 3 318.376 3.677 20 0 DHADHM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001196693277 1036593940 /nfs/dbraw/zinc/59/39/40/1036593940.db2.gz PMOGKRIVIYMZKY-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OC1CC1 ZINC000487562637 1036682911 /nfs/dbraw/zinc/68/29/11/1036682911.db2.gz FOQQNDIWUITZNP-UHFFFAOYSA-N -1 3 303.745 3.839 20 0 DHADHM O=C(Cc1cccc(-c2ccccc2)c1)Nc1ncccc1[O-] ZINC001184517296 1036878936 /nfs/dbraw/zinc/87/89/36/1036878936.db2.gz CRXVYTKWQYCWAY-UHFFFAOYSA-N -1 3 304.349 3.635 20 0 DHADHM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC000492498455 1036896944 /nfs/dbraw/zinc/89/69/44/1036896944.db2.gz DLWVDWRICWJDBU-FNORWQNLSA-N -1 3 322.286 3.766 20 0 DHADHM C[C@H](CC(F)(F)F)NCc1cccc([O-])c1Br ZINC000315899943 1037063200 /nfs/dbraw/zinc/06/32/00/1037063200.db2.gz NSCWDWGOGUIVMM-SSDOTTSWSA-N -1 3 312.129 3.585 20 0 DHADHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)[N-]OC1CCCC1 ZINC000774868242 1037124124 /nfs/dbraw/zinc/12/41/24/1037124124.db2.gz MXQHOCWXYUXMIP-UHFFFAOYSA-N -1 3 315.413 3.519 20 0 DHADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488883973 1037169201 /nfs/dbraw/zinc/16/92/01/1037169201.db2.gz HQKCLDMLQHEOLB-GWCFXTLKSA-N -1 3 319.829 3.726 20 0 DHADHM Cc1nc(Nc2cnc(Cl)c(Cl)c2Cl)cc(=O)[n-]1 ZINC001250197991 1037191676 /nfs/dbraw/zinc/19/16/76/1037191676.db2.gz PJXLAUDHPKHTJX-UHFFFAOYSA-N -1 3 305.552 3.589 20 0 DHADHM CCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693151 1037286776 /nfs/dbraw/zinc/28/67/76/1037286776.db2.gz RANZBBBGKXXLJH-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC001186287379 1037355052 /nfs/dbraw/zinc/35/50/52/1037355052.db2.gz YXDMSAVEKUDHIO-AWEZNQCLSA-N -1 3 317.401 3.602 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)NC1CCCCCC1 ZINC001199970878 1037387849 /nfs/dbraw/zinc/38/78/49/1037387849.db2.gz DYCAFSGXIVYMSA-UHFFFAOYSA-N -1 3 306.431 3.604 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1ccc(Cc2ccccc2)cc1 ZINC001186534539 1037436352 /nfs/dbraw/zinc/43/63/52/1037436352.db2.gz JHQJTPMZSFDEPE-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM CC(=O)c1cccc(NC(=O)/C=C\SCc2ccco2)c1[O-] ZINC000493434385 1037445969 /nfs/dbraw/zinc/44/59/69/1037445969.db2.gz OPJYGYSZNDDSHZ-CLFYSBASSA-N -1 3 317.366 3.573 20 0 DHADHM CSc1ccccc1NC(=O)Nc1ncc([O-])cc1Cl ZINC001186719190 1037487811 /nfs/dbraw/zinc/48/78/11/1037487811.db2.gz WHAJBYIRASGXJX-UHFFFAOYSA-N -1 3 309.778 3.807 20 0 DHADHM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc([O-])cc1 ZINC000046216613 1037539781 /nfs/dbraw/zinc/53/97/81/1037539781.db2.gz IIJFMCGHRWRYGH-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001187130975 1037583473 /nfs/dbraw/zinc/58/34/73/1037583473.db2.gz XLHFZQHVNQIPJD-KOLCDFICSA-N -1 3 313.394 3.593 20 0 DHADHM COc1ccc([C@H](C)NCc2cccc([O-])c2Cl)c(OC)c1 ZINC000328224323 1037717088 /nfs/dbraw/zinc/71/70/88/1037717088.db2.gz MJTSAEDHHHUITO-NSHDSACASA-N -1 3 321.804 3.914 20 0 DHADHM CN(C)C(=O)c1cc(F)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001201525558 1037765413 /nfs/dbraw/zinc/76/54/13/1037765413.db2.gz XWCYLPRAIFXXDD-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccccc1F ZINC001201987953 1037975825 /nfs/dbraw/zinc/97/58/25/1037975825.db2.gz CPDZPQPSAWIKBH-UHFFFAOYSA-N -1 3 303.318 3.785 20 0 DHADHM COc1ccc(NC(=O)Nc2cc([O-])cc(Cl)c2)cc1OC ZINC001188800520 1037990233 /nfs/dbraw/zinc/99/02/33/1037990233.db2.gz LRPBACARKQPQTM-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM CCOc1ccccc1OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000916854024 1037996765 /nfs/dbraw/zinc/99/67/65/1037996765.db2.gz URKQQBURPXXWGZ-UHFFFAOYSA-N -1 3 312.325 3.596 20 0 DHADHM CCOc1ccccc1OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000916854024 1037996779 /nfs/dbraw/zinc/99/67/79/1037996779.db2.gz URKQQBURPXXWGZ-UHFFFAOYSA-N -1 3 312.325 3.596 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1c(F)cccc1F ZINC001202032720 1038010169 /nfs/dbraw/zinc/01/01/69/1038010169.db2.gz BDHVVPDJIYVLSC-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1[O-] ZINC001189054970 1038056810 /nfs/dbraw/zinc/05/68/10/1038056810.db2.gz ZMMCFXNAESLGPV-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM CCOc1ccccc1NC(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001202138807 1038056493 /nfs/dbraw/zinc/05/64/93/1038056493.db2.gz MUXXPEMCXKJUFM-UHFFFAOYSA-N -1 3 324.340 3.779 20 0 DHADHM CCOc1ccccc1NC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001202147786 1038064523 /nfs/dbraw/zinc/06/45/23/1038064523.db2.gz MNIWFEUCGPENJI-UHFFFAOYSA-N -1 3 314.341 3.638 20 0 DHADHM CCc1ccc(-c2nc(CN[C@H](C)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000571217464 1038111258 /nfs/dbraw/zinc/11/12/58/1038111258.db2.gz GTMRPTDTKFXTTJ-VXGBXAGGSA-N -1 3 318.442 3.571 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1cccc(F)c1 ZINC001202216843 1038111629 /nfs/dbraw/zinc/11/16/29/1038111629.db2.gz FBCRMPWCOBNXPG-UHFFFAOYSA-N -1 3 303.318 3.785 20 0 DHADHM O=C(Nc1nccs1)Nc1c([O-])cccc1C(F)(F)F ZINC001189386670 1038139547 /nfs/dbraw/zinc/13/95/47/1038139547.db2.gz JXUXBKKKJFMQGB-UHFFFAOYSA-N -1 3 303.265 3.512 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1[O-] ZINC000917069922 1038166551 /nfs/dbraw/zinc/16/65/51/1038166551.db2.gz HXRPMUCHDOSFAF-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM CC(C)c1cnc([N-]C(=O)c2ncoc2C(F)(F)F)s1 ZINC000669237653 1038200081 /nfs/dbraw/zinc/20/00/81/1038200081.db2.gz AJHJBDZGGHKASF-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM CC(C)(COCc1ccccc1)NCc1ccc([O-])c(F)c1F ZINC001205517254 1038314961 /nfs/dbraw/zinc/31/49/61/1038314961.db2.gz LEVGLZSBVGFDHF-UHFFFAOYSA-N -1 3 321.367 3.755 20 0 DHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1(C)C ZINC000572127600 1038337367 /nfs/dbraw/zinc/33/73/67/1038337367.db2.gz LBQSXQBRJVWKGE-CVEARBPZSA-N -1 3 323.433 3.702 20 0 DHADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])oc2C)C1(C)C ZINC000572127602 1038338722 /nfs/dbraw/zinc/33/87/22/1038338722.db2.gz LBQSXQBRJVWKGE-HZPDHXFCSA-N -1 3 323.433 3.702 20 0 DHADHM CC(C)=CCC/C(C)=C/CNC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917943 1038406289 /nfs/dbraw/zinc/40/62/89/1038406289.db2.gz LIOSVPJHDCHYHI-FMIVXFBMSA-N -1 3 308.809 3.863 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccc(C)cc1C ZINC001190918740 1038409453 /nfs/dbraw/zinc/40/94/53/1038409453.db2.gz VWCRWOCLBAUKDV-CQSZACIVSA-N -1 3 318.804 3.939 20 0 DHADHM CC(C)C[C@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccccc1 ZINC001190918421 1038409993 /nfs/dbraw/zinc/40/99/93/1038409993.db2.gz VUVCMCVRXNIDMW-AWEZNQCLSA-N -1 3 318.804 3.958 20 0 DHADHM Cc1ccc(-c2csc(CN3CCC[C@H]3CC(=O)[O-])n2)cc1 ZINC000572848282 1038512124 /nfs/dbraw/zinc/51/21/24/1038512124.db2.gz CPBONWNTRCEZSL-AWEZNQCLSA-N -1 3 316.426 3.558 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CCc1ccccc1Cl)CC2 ZINC000572848743 1038513248 /nfs/dbraw/zinc/51/32/48/1038513248.db2.gz YCRFSWKQDPSWGH-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM Cc1cc(C)cc([C@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)c1 ZINC000572848753 1038513531 /nfs/dbraw/zinc/51/35/31/1038513531.db2.gz YGDCZTDNYNPPHX-WMLDXEAASA-N -1 3 315.438 3.980 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)CC2CCCC2)c(C(F)(F)F)c1 ZINC001191529494 1038515337 /nfs/dbraw/zinc/51/53/37/1038515337.db2.gz HOKPZZYAHQLSNX-UHFFFAOYSA-N -1 3 321.364 3.946 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@](C)(F)[C@@H](F)C2)c([O-])c1 ZINC001192314953 1038624963 /nfs/dbraw/zinc/62/49/63/1038624963.db2.gz VSKXGOLFERVWJV-WMLDXEAASA-N -1 3 311.372 3.602 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@](C)(F)[C@@H](F)C2)c([O-])c1 ZINC001192314955 1038626387 /nfs/dbraw/zinc/62/63/87/1038626387.db2.gz VSKXGOLFERVWJV-YOEHRIQHSA-N -1 3 311.372 3.602 20 0 DHADHM C[C@H]1CCC[C@H](CCNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606692540 1039959661 /nfs/dbraw/zinc/95/96/61/1039959661.db2.gz XKKWCUJMLYOIFJ-QWHCGFSZSA-N -1 3 308.397 3.547 20 0 DHADHM O=C1[N-]C(=O)/C(=C\c2c(Cl)oc3ccccc23)c2ccccc21 ZINC000761197163 1040563187 /nfs/dbraw/zinc/56/31/87/1040563187.db2.gz AVOJDENKHFRQAF-ZROIWOOFSA-N -1 3 323.735 3.897 20 0 DHADHM COCCOCc1nc(=O)c2c(C3CCCCC3)csc2[n-]1 ZINC000608755211 1040601971 /nfs/dbraw/zinc/60/19/71/1040601971.db2.gz WDUBMTLLUSCMRK-UHFFFAOYSA-N -1 3 322.430 3.608 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](C1CC1)C1CCC1 ZINC000457231435 1041061541 /nfs/dbraw/zinc/06/15/41/1041061541.db2.gz DSKQDUGZCUAILL-GOSISDBHSA-N -1 3 305.393 3.549 20 0 DHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1cnn[n-]1 ZINC000143842931 186033889 /nfs/dbraw/zinc/03/38/89/186033889.db2.gz FQZNFHMSQHTNCZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1c[n-]nn1 ZINC000143842931 186033890 /nfs/dbraw/zinc/03/38/90/186033890.db2.gz FQZNFHMSQHTNCZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1cn[n-]n1 ZINC000143842931 186033892 /nfs/dbraw/zinc/03/38/92/186033892.db2.gz FQZNFHMSQHTNCZ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM COCCCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459991 192270657 /nfs/dbraw/zinc/27/06/57/192270657.db2.gz HVFXZBJMTQGDDW-UHFFFAOYSA-N -1 3 313.397 3.738 20 0 DHADHM Cc1ncsc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000417566191 334990968 /nfs/dbraw/zinc/99/09/68/334990968.db2.gz IBJGTFLJVNFGRO-OAHLLOKOSA-N -1 3 318.442 3.881 20 0 DHADHM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)ccc1F ZINC000417600866 335002921 /nfs/dbraw/zinc/00/29/21/335002921.db2.gz KNIOZAJRKYIUDU-QGZVFWFLSA-N -1 3 301.361 3.830 20 0 DHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182790239 335003046 /nfs/dbraw/zinc/00/30/46/335003046.db2.gz FHDIAASQAFREIT-SFHVURJKSA-N -1 3 324.424 3.889 20 0 DHADHM CC(C)c1cnc(CN[C@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000417616119 335009154 /nfs/dbraw/zinc/00/91/54/335009154.db2.gz ATWWFFOTCLDLJE-OLZOCXBDSA-N -1 3 310.463 3.780 20 0 DHADHM CCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCC1 ZINC000442918033 338439508 /nfs/dbraw/zinc/43/95/08/338439508.db2.gz BPPMSZRRKFDQRK-UHFFFAOYSA-N -1 3 303.280 3.810 20 0 DHADHM CSc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417612535 335011417 /nfs/dbraw/zinc/01/14/17/335011417.db2.gz BZHIXTSJXFEXKU-IRXDYDNUSA-N -1 3 313.422 3.811 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000417619221 335013435 /nfs/dbraw/zinc/01/34/35/335013435.db2.gz DUCDOMQYCDIDDX-OCCSQVGLSA-N -1 3 324.490 3.954 20 0 DHADHM O=C([O-])C[C@@H](CNCc1csc2ccccc12)C(F)(F)F ZINC000417626080 335015715 /nfs/dbraw/zinc/01/57/15/335015715.db2.gz MQJIDSGVSAWEIH-JTQLQIEISA-N -1 3 317.332 3.644 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000417622088 335017444 /nfs/dbraw/zinc/01/74/44/335017444.db2.gz LLRJWNAWVNSLLF-CYBMUJFWSA-N -1 3 322.405 3.682 20 0 DHADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000016101625 182034113 /nfs/dbraw/zinc/03/41/13/182034113.db2.gz QIBLYSYQNCAVOP-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM Cc1cc(SCC(=O)Nc2ccccc2[O-])nc2ccccc12 ZINC000016483122 182046755 /nfs/dbraw/zinc/04/67/55/182046755.db2.gz CFKZXNVGMMZZPY-UHFFFAOYSA-N -1 3 324.405 3.980 20 0 DHADHM C[C@@H](CC(C)(C)NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000417638030 335022101 /nfs/dbraw/zinc/02/21/01/335022101.db2.gz OJLYYCNYXXIFKI-VIFPVBQESA-N -1 3 321.314 3.824 20 0 DHADHM C[C@H](CC(C)(C)NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000417638804 335022659 /nfs/dbraw/zinc/02/26/59/335022659.db2.gz QGDZJOTWUFYYAI-SECBINFHSA-N -1 3 304.217 3.972 20 0 DHADHM CCC[C@H](CCCCNCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000417635792 335021329 /nfs/dbraw/zinc/02/13/29/335021329.db2.gz FSHRRGDRMFCEJO-GFCCVEGCSA-N -1 3 317.351 3.865 20 0 DHADHM C[C@@H]([C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641381 335025865 /nfs/dbraw/zinc/02/58/65/335025865.db2.gz PQTARXQBYLZSSH-UHLUBPPHSA-N -1 3 320.191 3.721 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c([O-])c1 ZINC000023498987 182362187 /nfs/dbraw/zinc/36/21/87/182362187.db2.gz DVSNFNMJMVYNIV-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM Cc1csc(C2(NC(=O)c3ccc([O-])c(C)c3)CCCC2)n1 ZINC000272402902 130027917 /nfs/dbraw/zinc/02/79/17/130027917.db2.gz IBKGROGFQHFDLJ-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([O-])c(C)c1)CCC2 ZINC000272557818 130041112 /nfs/dbraw/zinc/04/11/12/130041112.db2.gz ZPPRZMOMFSIFPS-AWEZNQCLSA-N -1 3 316.426 3.615 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000272564885 130042531 /nfs/dbraw/zinc/04/25/31/130042531.db2.gz BAJHKICEUXYPRM-OAHLLOKOSA-N -1 3 315.344 3.517 20 0 DHADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000272626988 130048075 /nfs/dbraw/zinc/04/80/75/130048075.db2.gz VVOVFHFOFYBDLJ-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM Cc1nc(-c2ccccc2)sc1NC([O-])=NOCC(C)C ZINC000273093225 130089765 /nfs/dbraw/zinc/08/97/65/130089765.db2.gz HWWRFKIOIBRDCS-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM Cc1nc(-c2ccccc2)sc1NC(=O)[N-]OCC(C)C ZINC000273093225 130089768 /nfs/dbraw/zinc/08/97/68/130089768.db2.gz HWWRFKIOIBRDCS-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM CCCc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000273502812 130129333 /nfs/dbraw/zinc/12/93/33/130129333.db2.gz SDYWVZMWCZQUGI-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM COC(=O)C(C)(C)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000274439356 130235247 /nfs/dbraw/zinc/23/52/47/130235247.db2.gz BHRVQHJTTVXLAT-UHFFFAOYSA-N -1 3 317.360 3.594 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ccsc2Cl)no1 ZINC000275805185 130388367 /nfs/dbraw/zinc/38/83/67/130388367.db2.gz JCGUJPSZKSQZJJ-UHFFFAOYSA-N -1 3 302.808 3.895 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(C(C)C)no3)n2)ccc1[O-] ZINC000277843685 130644252 /nfs/dbraw/zinc/64/42/52/130644252.db2.gz IYVUKFLHGZWLRK-UHFFFAOYSA-N -1 3 315.329 3.619 20 0 DHADHM Cc1nc2ccc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cc2o1 ZINC000280355790 130797533 /nfs/dbraw/zinc/79/75/33/130797533.db2.gz RGBIUDGUYDGSOJ-NSHDSACASA-N -1 3 322.364 3.996 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N(CC(C)C)C(C)C)c[n-]c12 ZINC000285976766 131213325 /nfs/dbraw/zinc/21/33/25/131213325.db2.gz BNFMCUHMOMXRIN-UHFFFAOYSA-N -1 3 318.392 3.895 20 0 DHADHM CCc1ccc(NC([O-])=NOCCC(F)(F)F)cc1Cl ZINC000287859777 131303756 /nfs/dbraw/zinc/30/37/56/131303756.db2.gz XUEJDNDNUIVDDU-UHFFFAOYSA-N -1 3 310.703 3.908 20 0 DHADHM CCc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1Cl ZINC000287859777 131303757 /nfs/dbraw/zinc/30/37/57/131303757.db2.gz XUEJDNDNUIVDDU-UHFFFAOYSA-N -1 3 310.703 3.908 20 0 DHADHM Cc1ccc2nc([N-]C(=O)c3snnc3C3CC3)sc2c1 ZINC000289564406 131396127 /nfs/dbraw/zinc/39/61/27/131396127.db2.gz PVTJUEUAEACHTF-UHFFFAOYSA-N -1 3 316.411 3.586 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1nc2cc(F)c(C)cc2s1 ZINC000297242650 132005940 /nfs/dbraw/zinc/00/59/40/132005940.db2.gz WPJDUOZAJLQPNW-MRVPVSSYSA-N -1 3 311.382 3.843 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC000297242650 132005941 /nfs/dbraw/zinc/00/59/41/132005941.db2.gz WPJDUOZAJLQPNW-MRVPVSSYSA-N -1 3 311.382 3.843 20 0 DHADHM CCOc1cc(CNc2c(C)nn(CC)c2C)cc(Cl)c1[O-] ZINC000297300424 132008680 /nfs/dbraw/zinc/00/86/80/132008680.db2.gz BDTNOEBMJWGRMR-UHFFFAOYSA-N -1 3 323.824 3.890 20 0 DHADHM CC(C)CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000299382241 132102528 /nfs/dbraw/zinc/10/25/28/132102528.db2.gz OEDAKIRAGGLZAG-UHFFFAOYSA-N -1 3 312.413 3.981 20 0 DHADHM C[C@@H](NCc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)[O-] ZINC000340675323 132143750 /nfs/dbraw/zinc/14/37/50/132143750.db2.gz GDXOMIYLKFGIAW-MRVPVSSYSA-N -1 3 314.168 3.816 20 0 DHADHM Cc1c([N-]c2nc3c(cccc3F)o2)cnn1C1CCOCC1 ZINC000517682262 429391628 /nfs/dbraw/zinc/39/16/28/429391628.db2.gz CMELZEYMRNFPPL-UHFFFAOYSA-N -1 3 316.336 3.567 20 0 DHADHM CCc1cc([N-]C(=O)c2nc(-c3ccco3)sc2C)no1 ZINC000606890957 430556906 /nfs/dbraw/zinc/55/69/06/430556906.db2.gz OVJLMEVTKHJWID-UHFFFAOYSA-N -1 3 303.343 3.514 20 0 DHADHM Cc1c(Br)cccc1C(=O)Nc1ccccc1[O-] ZINC000175084452 332875454 /nfs/dbraw/zinc/87/54/54/332875454.db2.gz MVFGCLDFXCHPPJ-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c([O-])c1 ZINC000089878122 331460188 /nfs/dbraw/zinc/46/01/88/331460188.db2.gz CXUNZKSNMPNUHJ-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM CCC[C@@](C)(NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000036808041 331519540 /nfs/dbraw/zinc/51/95/40/331519540.db2.gz IHANWFYUOLJWEI-MRXNPFEDSA-N -1 3 304.415 3.543 20 0 DHADHM CCOC1(C(=O)[N-]c2onc(C(F)(F)F)c2CC)CCCC1 ZINC000517755018 331680113 /nfs/dbraw/zinc/68/01/13/331680113.db2.gz KRODSJFZAVEQEJ-UHFFFAOYSA-N -1 3 320.311 3.544 20 0 DHADHM CC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1[O-] ZINC000556893985 331749787 /nfs/dbraw/zinc/74/97/87/331749787.db2.gz GCBXTIKQXNDHTG-UHFFFAOYSA-N -1 3 315.394 3.634 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(F)c(C(C)=O)c2)c1[O-] ZINC000557461451 331791858 /nfs/dbraw/zinc/79/18/58/331791858.db2.gz LGQQUOQKJZZKFH-UHFFFAOYSA-N -1 3 301.317 3.549 20 0 DHADHM CCc1cc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)ccc1[O-] ZINC000557645553 331805900 /nfs/dbraw/zinc/80/59/00/331805900.db2.gz JGSQPHNDPVFPGT-SFHVURJKSA-N -1 3 324.424 3.671 20 0 DHADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000557684247 331808615 /nfs/dbraw/zinc/80/86/15/331808615.db2.gz AMJHXVKSDOUKQK-RISCZKNCSA-N -1 3 310.353 3.735 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000558720077 331938579 /nfs/dbraw/zinc/93/85/79/331938579.db2.gz BRHATVINKFDCFA-UHFFFAOYSA-N -1 3 311.303 3.864 20 0 DHADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1ccccc1 ZINC000518323549 332013481 /nfs/dbraw/zinc/01/34/81/332013481.db2.gz YUSMJVHVARUSAD-GFCCVEGCSA-N -1 3 324.359 3.743 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)C ZINC000518482412 332063588 /nfs/dbraw/zinc/06/35/88/332063588.db2.gz DSYIYZYEABZKTL-GFCCVEGCSA-N -1 3 307.818 3.582 20 0 DHADHM CC[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000569412729 332078435 /nfs/dbraw/zinc/07/84/35/332078435.db2.gz GQWGMALYYJJWGM-JTQLQIEISA-N -1 3 301.230 3.842 20 0 DHADHM Cc1ccc([C@H](CC(=O)[O-])NC/C=C\c2ccc(F)cc2)o1 ZINC000426776679 332123300 /nfs/dbraw/zinc/12/33/00/332123300.db2.gz HBTPFJNAMFDFNT-GWQWAINWSA-N -1 3 303.333 3.546 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000564655646 332132502 /nfs/dbraw/zinc/13/25/02/332132502.db2.gz FWPLOPKXFOGAPQ-APPZFPTMSA-N -1 3 308.230 3.788 20 0 DHADHM CC(C)(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000426777383 332135657 /nfs/dbraw/zinc/13/56/57/332135657.db2.gz MVAWTWUHFBMSHO-QGZVFWFLSA-N -1 3 313.397 3.605 20 0 DHADHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000569577181 332143217 /nfs/dbraw/zinc/14/32/17/332143217.db2.gz JABWBNWCQPKNHE-PWSUYJOCSA-N -1 3 302.201 3.726 20 0 DHADHM Cc1ccccc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426804965 332155440 /nfs/dbraw/zinc/15/54/40/332155440.db2.gz XRECRKGMRWMXGS-MRXNPFEDSA-N -1 3 303.789 3.954 20 0 DHADHM CCc1ccc([C@@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426805638 332155589 /nfs/dbraw/zinc/15/55/89/332155589.db2.gz DIZCNJKEAFLJKA-DDKKJVIOSA-N -1 3 313.372 3.817 20 0 DHADHM CCC[C@@H](C)C[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000426826931 332155747 /nfs/dbraw/zinc/15/57/47/332155747.db2.gz UPFCOGWVYPKWSO-IAQYHMDHSA-N -1 3 313.825 3.718 20 0 DHADHM CCC[C@H](C)C[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426821166 332157551 /nfs/dbraw/zinc/15/75/51/332157551.db2.gz QLMUNSFBHXTYGT-IINYFYTJSA-N -1 3 301.789 3.848 20 0 DHADHM CCC[C@@H](C)C[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426821167 332157574 /nfs/dbraw/zinc/15/75/74/332157574.db2.gz QLMUNSFBHXTYGT-QMTHXVAHSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000531015185 332210835 /nfs/dbraw/zinc/21/08/35/332210835.db2.gz IOXIYHKKIWCKCN-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C ZINC000536417977 332241717 /nfs/dbraw/zinc/24/17/17/332241717.db2.gz ILOKAILOKPDUEB-UHFFFAOYSA-N -1 3 311.307 3.684 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CC34CCOCC4)n2)c2ccccc12 ZINC000560086777 332310063 /nfs/dbraw/zinc/31/00/63/332310063.db2.gz CVBATDTYBLBPMS-OAHLLOKOSA-N -1 3 322.364 3.880 20 0 DHADHM CS[C@H](C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000358707694 332334180 /nfs/dbraw/zinc/33/41/80/332334180.db2.gz WCPVUGALSWSYDY-MRVPVSSYSA-N -1 3 318.236 3.625 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CCCCC(F)(F)C2)c1F ZINC000560533821 332353773 /nfs/dbraw/zinc/35/37/73/332353773.db2.gz XVHJXQPJFHRQHT-JTQLQIEISA-N -1 3 305.315 3.976 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccccc2F)c1[O-] ZINC000560551108 332358058 /nfs/dbraw/zinc/35/80/58/332358058.db2.gz RTVCNARTOLZADZ-LLVKDONJSA-N -1 3 315.344 3.551 20 0 DHADHM COc1cc(NCc2c(F)ccc([O-])c2F)cc(OC)c1C ZINC000560550372 332358260 /nfs/dbraw/zinc/35/82/60/332358260.db2.gz LBUIHJSKUGORBD-UHFFFAOYSA-N -1 3 309.312 3.608 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2ccccc2)[nH]n1 ZINC000560820774 332388616 /nfs/dbraw/zinc/38/86/16/332388616.db2.gz PRTVNXRQLCJFCI-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000560822391 332388776 /nfs/dbraw/zinc/38/87/76/332388776.db2.gz NLYIDNOHSZJRJT-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM Cc1cc2ccccc2n1CC(=O)Nc1c([O-])cccc1Cl ZINC000560822548 332388874 /nfs/dbraw/zinc/38/88/74/332388874.db2.gz VVMGXBBSJPIOHJ-UHFFFAOYSA-N -1 3 314.772 3.947 20 0 DHADHM CCc1cc(C(=O)Nc2cc(C3CCCC3)nn2C)ccc1[O-] ZINC000561314821 332436689 /nfs/dbraw/zinc/43/66/89/332436689.db2.gz CLZGAAYSHQXJQM-UHFFFAOYSA-N -1 3 313.401 3.598 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427893168 332556347 /nfs/dbraw/zinc/55/63/47/332556347.db2.gz HQOFJBJPADRCJO-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=C(CC1CC(F)(F)C1)Nc1ccc(Br)cc1[O-] ZINC000562522272 332601513 /nfs/dbraw/zinc/60/15/13/332601513.db2.gz ZOFCWMXTXJAPGP-UHFFFAOYSA-N -1 3 320.133 3.529 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000188863550 334877440 /nfs/dbraw/zinc/87/74/40/334877440.db2.gz SPNJSFAEZZGRQP-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM O=C([O-])[C@@H]1CCCN(Cc2ccc(Cl)c3ccccc23)C1 ZINC000580202190 333002991 /nfs/dbraw/zinc/00/29/91/333002991.db2.gz WCOLRTLGVXFHKV-CYBMUJFWSA-N -1 3 303.789 3.790 20 0 DHADHM COc1cc(C)cc(C(=O)N2CCCc3ccc(C)cc32)c1[O-] ZINC000179560201 333025572 /nfs/dbraw/zinc/02/55/72/333025572.db2.gz CYXVUXPLZDGJDM-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM CCCn1ccc2ccc(NC(=O)c3cccc4nn[n-]c43)cc21 ZINC000188248676 333040577 /nfs/dbraw/zinc/04/05/77/333040577.db2.gz JLRYKRYKTHVXBC-UHFFFAOYSA-N -1 3 319.368 3.575 20 0 DHADHM CCCn1ccc2ccc(NC(=O)c3cccc4[n-]nnc43)cc21 ZINC000188248676 333040579 /nfs/dbraw/zinc/04/05/79/333040579.db2.gz JLRYKRYKTHVXBC-UHFFFAOYSA-N -1 3 319.368 3.575 20 0 DHADHM CCCn1ccc2ccc(NC(=O)c3cccc4n[n-]nc43)cc21 ZINC000188248676 333040580 /nfs/dbraw/zinc/04/05/80/333040580.db2.gz JLRYKRYKTHVXBC-UHFFFAOYSA-N -1 3 319.368 3.575 20 0 DHADHM CN1CCCN(C(=O)c2cc(Cl)c(Cl)[n-]2)c2ccccc21 ZINC000172362408 333062190 /nfs/dbraw/zinc/06/21/90/333062190.db2.gz GPAZZSHTOLWUMA-UHFFFAOYSA-N -1 3 324.211 3.808 20 0 DHADHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181871452 333135534 /nfs/dbraw/zinc/13/55/34/333135534.db2.gz AWHGJBASJUWKSF-SYTKJHMZSA-N -1 3 316.788 3.673 20 0 DHADHM O=C([O-])c1ccccc1CCNCc1cccc(Cl)c1F ZINC000228232599 333166808 /nfs/dbraw/zinc/16/68/08/333166808.db2.gz YJLOWDGBWZBACW-UHFFFAOYSA-N -1 3 307.752 3.510 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000015586520 333182836 /nfs/dbraw/zinc/18/28/36/333182836.db2.gz BLOGHLSXRUWZBS-UHFFFAOYSA-N -1 3 313.785 3.781 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1scnc1C1CCCC1 ZINC000185254888 335122951 /nfs/dbraw/zinc/12/29/51/335122951.db2.gz ZSZAQAJHDQGZQO-UHFFFAOYSA-N -1 3 305.403 3.912 20 0 DHADHM CCOc1cccc2cc([C@H](C)NCc3ncccc3[O-])oc21 ZINC000582089501 333208949 /nfs/dbraw/zinc/20/89/49/333208949.db2.gz ILIMZHVKFKFXRA-LBPRGKRZSA-N -1 3 312.369 3.783 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000185498014 333209205 /nfs/dbraw/zinc/20/92/05/333209205.db2.gz QEMXACZAHBXZOC-MSOLQXFVSA-N -1 3 301.361 3.541 20 0 DHADHM CC(C)[C@H](CC1CCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000525748918 333219790 /nfs/dbraw/zinc/21/97/90/333219790.db2.gz JLMPCNIQQIKTBO-JTQLQIEISA-N -1 3 318.343 3.615 20 0 DHADHM CC(C)[C@H](CC1CCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000525748918 333219792 /nfs/dbraw/zinc/21/97/92/333219792.db2.gz JLMPCNIQQIKTBO-JTQLQIEISA-N -1 3 318.343 3.615 20 0 DHADHM COc1cccc2c1CCCN2C(=O)c1cc([O-])ccc1Cl ZINC000497519699 333258203 /nfs/dbraw/zinc/25/82/03/333258203.db2.gz HMCTVAKRWFXERJ-UHFFFAOYSA-N -1 3 317.772 3.647 20 0 DHADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497808094 333294400 /nfs/dbraw/zinc/29/44/00/333294400.db2.gz FWIKDDPXJHIBNY-OCCSQVGLSA-N -1 3 322.424 3.888 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCCC[C@H]2CC(C)C)c1 ZINC000525778229 333294688 /nfs/dbraw/zinc/29/46/88/333294688.db2.gz GQGBRSYJWVTGMG-AWEZNQCLSA-N -1 3 305.418 3.832 20 0 DHADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365021427 333334545 /nfs/dbraw/zinc/33/45/45/333334545.db2.gz QZKIOSWDXSCGJO-DGCLKSJQSA-N -1 3 313.401 3.778 20 0 DHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccc(OC(F)F)c1 ZINC000184136247 333342150 /nfs/dbraw/zinc/34/21/50/333342150.db2.gz NVQVILHOIGQQTF-JTQLQIEISA-N -1 3 311.303 3.984 20 0 DHADHM COc1cccc2c1n[n-]c2C(=O)N(C)c1ccccc1C(C)C ZINC000426180583 333398471 /nfs/dbraw/zinc/39/84/71/333398471.db2.gz ZZFACZILTRUHQF-UHFFFAOYSA-N -1 3 323.396 3.972 20 0 DHADHM COc1cccc2c(C(=O)N(C)c3ccccc3C(C)C)n[n-]c21 ZINC000426180583 333398472 /nfs/dbraw/zinc/39/84/72/333398472.db2.gz ZZFACZILTRUHQF-UHFFFAOYSA-N -1 3 323.396 3.972 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(OC(C)C)cc2)C(=O)[O-])cc1 ZINC000426676795 333519201 /nfs/dbraw/zinc/51/92/01/333519201.db2.gz GUMAOEKGMPOHRF-GOSISDBHSA-N -1 3 313.397 3.698 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(C)s2)cc1 ZINC000426726823 333530752 /nfs/dbraw/zinc/53/07/52/333530752.db2.gz LNHBXNTYZNCBIV-INIZCTEOSA-N -1 3 319.426 3.761 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(C)s2)cc1 ZINC000426726824 333530766 /nfs/dbraw/zinc/53/07/66/333530766.db2.gz LNHBXNTYZNCBIV-MRXNPFEDSA-N -1 3 319.426 3.761 20 0 DHADHM CCc1ccc(-c2nc(CN[C@@H](C)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000571217461 333683160 /nfs/dbraw/zinc/68/31/60/333683160.db2.gz GTMRPTDTKFXTTJ-NEPJUHHUSA-N -1 3 318.442 3.571 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])ccc2Cl)o1 ZINC000571210788 333684781 /nfs/dbraw/zinc/68/47/81/333684781.db2.gz MVPRNCAALLWKHO-JOYOIKCWSA-N -1 3 305.761 3.692 20 0 DHADHM Cc1nc(-c2ccc(N[C@@H]3CCCC[C@H]3F)nc2)[n-]c(=O)c1C ZINC000413536480 333854853 /nfs/dbraw/zinc/85/48/53/333854853.db2.gz VMUJRLVUUKOTQP-ZIAGYGMSSA-N -1 3 316.380 3.554 20 0 DHADHM CCc1cc(C(=O)NC[C@H](CC)CC(F)(F)F)ccc1[O-] ZINC000413999269 333884529 /nfs/dbraw/zinc/88/45/29/333884529.db2.gz CUNMIKYZZJCNSD-SNVBAGLBSA-N -1 3 303.324 3.663 20 0 DHADHM CC(C)[C@H]1N(Cc2cccc([O-])c2Cl)CC12CCOCC2 ZINC000414532800 334009420 /nfs/dbraw/zinc/00/94/20/334009420.db2.gz DMRNDYOQXKFUIZ-MRXNPFEDSA-N -1 3 309.837 3.683 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(CCC(F)(F)F)no1)CCCC2 ZINC000273732436 334050041 /nfs/dbraw/zinc/05/00/41/334050041.db2.gz PHRRYKDGNVNYLN-UHFFFAOYSA-N -1 3 312.291 3.816 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CN(C)CCCC(=O)[O-])o1 ZINC000414641882 334051746 /nfs/dbraw/zinc/05/17/46/334051746.db2.gz USFMOCLBNUJPHF-UHFFFAOYSA-N -1 3 305.349 3.691 20 0 DHADHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc([O-])ccc1Cl ZINC000277597822 334089320 /nfs/dbraw/zinc/08/93/20/334089320.db2.gz APMNJBWJMSMLQJ-LBPRGKRZSA-N -1 3 323.820 3.657 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000296082824 334229747 /nfs/dbraw/zinc/22/97/47/334229747.db2.gz LNAOUTPAHXDCHT-BDAKNGLRSA-N -1 3 321.726 3.849 20 0 DHADHM CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000049239977 334323878 /nfs/dbraw/zinc/32/38/78/334323878.db2.gz JQTDYUOTDKQQQI-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cc(Cl)ccc1Cl ZINC000049282590 334324519 /nfs/dbraw/zinc/32/45/19/334324519.db2.gz LEHXCMXOEDUOLY-SNVBAGLBSA-N -1 3 320.241 3.628 20 0 DHADHM Cc1cccc(C)c1OCCC(=O)Nc1cc(F)ccc1[O-] ZINC000534701262 334328422 /nfs/dbraw/zinc/32/84/22/334328422.db2.gz RMLAEGFROZUZES-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM Cc1cccc([C@@H](NC(=O)c2ccccc2[O-])c2ccccn2)c1 ZINC000152275723 334334092 /nfs/dbraw/zinc/33/40/92/334334092.db2.gz XABDVNIWUTXYOP-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM CN(CC1CC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101647642 334339098 /nfs/dbraw/zinc/33/90/98/334339098.db2.gz RNSDVCAVPVZTGI-UHFFFAOYSA-N -1 3 309.409 3.659 20 0 DHADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1[O-] ZINC000101630822 334339680 /nfs/dbraw/zinc/33/96/80/334339680.db2.gz RVMCWXZDXPAPPE-LBPRGKRZSA-N -1 3 324.384 3.669 20 0 DHADHM Cc1ccc([O-])c(-c2nc(Cc3cccc(Cl)c3)no2)c1 ZINC000111687623 334353574 /nfs/dbraw/zinc/35/35/74/334353574.db2.gz GKAQPQXKTLEERB-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM COc1cc(C(=O)NC(C)(C)CCc2ccccc2)ccc1[O-] ZINC000442970951 338440712 /nfs/dbraw/zinc/44/07/12/338440712.db2.gz WXYNCUTZWPDTHF-UHFFFAOYSA-N -1 3 313.397 3.542 20 0 DHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000112258073 334378272 /nfs/dbraw/zinc/37/82/72/334378272.db2.gz IDUGOJJMNLYFGZ-SFHVURJKSA-N -1 3 313.397 3.876 20 0 DHADHM COc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)ccc1[O-] ZINC000443271089 338448418 /nfs/dbraw/zinc/44/84/18/338448418.db2.gz IKRDILHLUSXKSN-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM CSc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000366788069 334572274 /nfs/dbraw/zinc/57/22/74/334572274.db2.gz GVKSNPOUNTZBLO-ZFWWWQNUSA-N -1 3 323.483 3.614 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416054531 334641486 /nfs/dbraw/zinc/64/14/86/334641486.db2.gz WNLPMLLSJZOGMH-CQSZACIVSA-N -1 3 317.335 3.518 20 0 DHADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000188216207 334666458 /nfs/dbraw/zinc/66/64/58/334666458.db2.gz REQSOZSQQZWIJN-KRWDZBQOSA-N -1 3 312.413 3.661 20 0 DHADHM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000188238819 334669709 /nfs/dbraw/zinc/66/97/09/334669709.db2.gz DBZMACZNFCGEHT-UHFFFAOYSA-N -1 3 313.831 3.863 20 0 DHADHM Cc1cccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c1[O-] ZINC000190023623 334920720 /nfs/dbraw/zinc/92/07/20/334920720.db2.gz NHSJJOVHUWRMCS-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM O=C([O-])CCCN1CCC[C@H]1c1ccc(Br)s1 ZINC000344079211 335215957 /nfs/dbraw/zinc/21/59/57/335215957.db2.gz ZLDMVHUZJGNHNE-VIFPVBQESA-N -1 3 318.236 3.512 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)n1 ZINC000345753855 335348229 /nfs/dbraw/zinc/34/82/29/335348229.db2.gz JFIICSFPQWHWFE-UHFFFAOYSA-N -1 3 302.349 3.505 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2ccsc2C1 ZINC000345867745 335356799 /nfs/dbraw/zinc/35/67/99/335356799.db2.gz USSVNQXDNXFRHO-UHFFFAOYSA-N -1 3 319.401 3.500 20 0 DHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000345956071 335363877 /nfs/dbraw/zinc/36/38/77/335363877.db2.gz NYVLPCSQVQPINR-INIZCTEOSA-N -1 3 316.376 3.517 20 0 DHADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C)ccc1[O-] ZINC000345919387 335365407 /nfs/dbraw/zinc/36/54/07/335365407.db2.gz BOLCQFJZBTXHJT-CYBMUJFWSA-N -1 3 320.776 3.545 20 0 DHADHM CCOc1nc2cc(C(=O)N([C@@H](C)C(C)C)C3CC3)ccc2[n-]1 ZINC000346282785 335392051 /nfs/dbraw/zinc/39/20/51/335392051.db2.gz MZFMXMUPOPMWPZ-LBPRGKRZSA-N -1 3 315.417 3.611 20 0 DHADHM CCOc1nc2ccc(C(=O)N([C@@H](C)C(C)C)C3CC3)cc2[n-]1 ZINC000346282785 335392053 /nfs/dbraw/zinc/39/20/53/335392053.db2.gz MZFMXMUPOPMWPZ-LBPRGKRZSA-N -1 3 315.417 3.611 20 0 DHADHM CS[C@H](CNC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000346411870 335405747 /nfs/dbraw/zinc/40/57/47/335405747.db2.gz OFZGLGPVTSLYQK-GFCCVEGCSA-N -1 3 301.839 3.553 20 0 DHADHM Cc1noc(C2CC2)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346638440 335430098 /nfs/dbraw/zinc/43/00/98/335430098.db2.gz QDZDWEPQNUQIDB-UHFFFAOYSA-N -1 3 318.348 3.667 20 0 DHADHM COc1cccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c1F ZINC000347142132 335473180 /nfs/dbraw/zinc/47/31/80/335473180.db2.gz WBRYIRNWIZTXBV-UHFFFAOYSA-N -1 3 323.270 3.567 20 0 DHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ncccc2[O-])C1 ZINC000347581216 335509264 /nfs/dbraw/zinc/50/92/64/335509264.db2.gz DTIGHTJSVRNYCN-LSDHHAIUSA-N -1 3 320.433 3.881 20 0 DHADHM Cc1cc(CN(C)C(=O)c2cc([O-])ccc2Cl)ccc1F ZINC000350801869 335786018 /nfs/dbraw/zinc/78/60/18/335786018.db2.gz LMRPCLILOLKJND-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CC(C)c1cc(C(=O)NC[C@@]2(C)CCOC2)c([O-])c(C(C)C)c1 ZINC000536689332 335862242 /nfs/dbraw/zinc/86/22/42/335862242.db2.gz YKCRIDCHCYVUOU-LJQANCHMSA-N -1 3 319.445 3.795 20 0 DHADHM COc1c(F)cc(F)cc1[N-]C(=O)c1c(F)cc(F)cc1F ZINC000350895468 335889610 /nfs/dbraw/zinc/88/96/10/335889610.db2.gz HBFIEUMOGHMIHW-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CC(F)(F)c1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1 ZINC000520673434 336010523 /nfs/dbraw/zinc/01/05/23/336010523.db2.gz GTWJPFNCFDUZAT-UHFFFAOYSA-N -1 3 304.271 3.841 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000389325098 336023756 /nfs/dbraw/zinc/02/37/56/336023756.db2.gz GXUKEPDHJMMRIV-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM COc1ccccc1[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351645124 336054940 /nfs/dbraw/zinc/05/49/40/336054940.db2.gz VEOHTRURKLOYBI-GFCCVEGCSA-N -1 3 319.351 3.669 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3c(F)ccc(F)c3C2)c1F ZINC000351701437 336060071 /nfs/dbraw/zinc/06/00/71/336060071.db2.gz WTWKAMYYLRDTIE-UHFFFAOYSA-N -1 3 311.278 3.507 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2csc3ccccc23)n1 ZINC000192541340 336074673 /nfs/dbraw/zinc/07/46/73/336074673.db2.gz NUDNXVWXYBLJLS-LBPRGKRZSA-N -1 3 313.426 3.898 20 0 DHADHM C[C@]1(c2ccccc2)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000584356254 336129713 /nfs/dbraw/zinc/12/97/13/336129713.db2.gz FTBPQDYVFAFDCR-KRWDZBQOSA-N -1 3 301.411 3.610 20 0 DHADHM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])on1 ZINC000331761784 336147760 /nfs/dbraw/zinc/14/77/60/336147760.db2.gz CGUGQTUZOABHFN-HNNXBMFYSA-N -1 3 314.385 3.789 20 0 DHADHM COc1ccc(NC(=O)[C@H]2CCCc3sccc32)c([O-])c1 ZINC000331789411 336148458 /nfs/dbraw/zinc/14/84/58/336148458.db2.gz JTPBSGSCCACVOK-LBPRGKRZSA-N -1 3 303.383 3.521 20 0 DHADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1csc(=O)[n-]1)CCC2 ZINC000331968783 336154603 /nfs/dbraw/zinc/15/46/03/336154603.db2.gz QPUPFWRGSMGFHA-AWEZNQCLSA-N -1 3 316.426 3.780 20 0 DHADHM Cc1cccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c1[O-] ZINC000333551329 336205420 /nfs/dbraw/zinc/20/54/20/336205420.db2.gz JMUIKYXMEMJVKP-TZMCWYRMSA-N -1 3 302.374 3.669 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cnc3ccccc3c2)c1F ZINC000352243282 336206132 /nfs/dbraw/zinc/20/61/32/336206132.db2.gz ZWTCCWJKQLZWEY-UHFFFAOYSA-N -1 3 300.308 3.508 20 0 DHADHM COc1ccc([C@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352284211 336209925 /nfs/dbraw/zinc/20/99/25/336209925.db2.gz NZRKDTJRDMTKBK-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000333961474 336214335 /nfs/dbraw/zinc/21/43/35/336214335.db2.gz LYHCBNRUSSBGTI-GOSISDBHSA-N -1 3 323.392 3.855 20 0 DHADHM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c2c([O-])cccc21 ZINC000334117918 336218904 /nfs/dbraw/zinc/21/89/04/336218904.db2.gz ITPOPBQSTXBQPR-AFAVFJNCSA-N -1 3 323.392 3.742 20 0 DHADHM CC[C@@H](C)c1ncc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000352482662 336221398 /nfs/dbraw/zinc/22/13/98/336221398.db2.gz GYIQFFQYRLOOTI-SECBINFHSA-N -1 3 305.765 3.601 20 0 DHADHM CCc1cccc(C(=O)NCc2ncoc2-c2ccccc2)c1[O-] ZINC000532325105 336240049 /nfs/dbraw/zinc/24/00/49/336240049.db2.gz PKMHJHTYSVQQJI-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM [O-]c1cccc(CN2CCC(Cc3cccnc3)CC2)c1Cl ZINC000352827137 336264913 /nfs/dbraw/zinc/26/49/13/336264913.db2.gz UOZJGNHECVPWGE-UHFFFAOYSA-N -1 3 316.832 3.895 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000532710760 336267971 /nfs/dbraw/zinc/26/79/71/336267971.db2.gz FMDDYUXRJNVVQQ-GFCCVEGCSA-N -1 3 318.804 3.575 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000532830449 336272540 /nfs/dbraw/zinc/27/25/40/336272540.db2.gz PNEGCQOOARLHLL-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM Cc1nn(-c2ccccc2)cc1NCc1c(F)ccc([O-])c1F ZINC000352867874 336283871 /nfs/dbraw/zinc/28/38/71/336283871.db2.gz QNYBSHLMUGOJCQ-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@@H](C)C3)nc2)n1 ZINC000301190144 336294216 /nfs/dbraw/zinc/29/42/16/336294216.db2.gz VUQOWQZJKLBABJ-DOMZBBRYSA-N -1 3 312.417 3.797 20 0 DHADHM [O-]c1ccc(CNc2ncnc3cc(Cl)ccc32)cc1F ZINC000301356454 336302320 /nfs/dbraw/zinc/30/23/20/336302320.db2.gz KWUOAUHGLMFZAK-UHFFFAOYSA-N -1 3 303.724 3.740 20 0 DHADHM Cc1ccc(-c2ncc(CNCc3ncccc3[O-])s2)cc1 ZINC000355283841 336502298 /nfs/dbraw/zinc/50/22/98/336502298.db2.gz COAHYBUDLWLVMO-UHFFFAOYSA-N -1 3 311.410 3.509 20 0 DHADHM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC)c(F)c1 ZINC000355489330 336511533 /nfs/dbraw/zinc/51/15/33/336511533.db2.gz XETPFTIIMSXJAX-UHFFFAOYSA-N -1 3 319.357 3.587 20 0 DHADHM C[C@@H]1c2cccn2CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356084723 336535028 /nfs/dbraw/zinc/53/50/28/336535028.db2.gz LLJSEMLXQWVGGU-LLVKDONJSA-N -1 3 310.319 3.789 20 0 DHADHM O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cccc([O-])c1 ZINC000357211272 336577030 /nfs/dbraw/zinc/57/70/30/336577030.db2.gz ZYVXCRCHMNCHEA-CQSZACIVSA-N -1 3 309.287 3.816 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000357306138 336579998 /nfs/dbraw/zinc/57/99/98/336579998.db2.gz OKDCFKACELXKHO-IAGOWNOFSA-N -1 3 315.413 3.536 20 0 DHADHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cccc([O-])c1 ZINC000357342046 336581543 /nfs/dbraw/zinc/58/15/43/336581543.db2.gz WFQNNOSUYUCKOB-UHFFFAOYSA-N -1 3 306.293 3.532 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000357429848 336584902 /nfs/dbraw/zinc/58/49/02/336584902.db2.gz KENBTNSCKAPBJO-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM COc1cc(C(=O)N2CCC[C@H]2c2ccccc2C)ccc1[O-] ZINC000357596528 336591864 /nfs/dbraw/zinc/59/18/64/336591864.db2.gz OUPUXLKWVXRKII-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM COc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1[O-] ZINC000357596624 336591868 /nfs/dbraw/zinc/59/18/68/336591868.db2.gz PGHULSGNPQPVTB-INIZCTEOSA-N -1 3 313.397 3.918 20 0 DHADHM COc1cc(C(=O)N2CCCC3(C2)CCCCCC3)ccc1[O-] ZINC000357656490 336593516 /nfs/dbraw/zinc/59/35/16/336593516.db2.gz QIJUXEMQFBJFHA-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1nc[n-]n1 ZINC000358432587 336629829 /nfs/dbraw/zinc/62/98/29/336629829.db2.gz KOEFWAXIGFZLHR-ZDUSSCGKSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1coc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000358542201 336633803 /nfs/dbraw/zinc/63/38/03/336633803.db2.gz PLIFCXOZNWPXFK-UHFFFAOYSA-N -1 3 313.338 3.670 20 0 DHADHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1C ZINC000359733453 336685483 /nfs/dbraw/zinc/68/54/83/336685483.db2.gz XQVKPFZVMGDJGY-NSHDSACASA-N -1 3 308.765 3.659 20 0 DHADHM C[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1OC1CCCC1 ZINC000362347174 336793291 /nfs/dbraw/zinc/79/32/91/336793291.db2.gz RUEMUANDIMYDJR-LLVKDONJSA-N -1 3 311.809 3.614 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1scnc1C(F)(F)F ZINC000362538238 336803005 /nfs/dbraw/zinc/80/30/05/336803005.db2.gz SEAPBHYNSHSJPL-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CCC4)CC3)nc2)n1 ZINC000367870015 336831374 /nfs/dbraw/zinc/83/13/74/336831374.db2.gz AXXIKXYGZXWUKV-UHFFFAOYSA-N -1 3 324.428 3.577 20 0 DHADHM Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C)ccc2[O-])s1 ZINC000373165874 336950310 /nfs/dbraw/zinc/95/03/10/336950310.db2.gz JSFSMHLYZMAWSN-CQSZACIVSA-N -1 3 316.426 3.833 20 0 DHADHM Cc1cnc([C@@H]2CCCCN2C(=O)c2ccccc2[O-])s1 ZINC000373166883 336950428 /nfs/dbraw/zinc/95/04/28/336950428.db2.gz OSTGTQBBROVMMA-ZDUSSCGKSA-N -1 3 302.399 3.525 20 0 DHADHM CCOc1cc(-c2noc([C@H]3Cc4ccccc4O3)n2)ccc1[O-] ZINC000373213648 336953035 /nfs/dbraw/zinc/95/30/35/336953035.db2.gz BRSHZZNRZYZVFA-MRXNPFEDSA-N -1 3 324.336 3.517 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cnc4ccccc4c3)no2)c1 ZINC000391941324 336965159 /nfs/dbraw/zinc/96/51/59/336965159.db2.gz WKWNPHPFJKABLD-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000375040337 337001989 /nfs/dbraw/zinc/00/19/89/337001989.db2.gz URMUZJDIWFRRQX-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000376649864 337039166 /nfs/dbraw/zinc/03/91/66/337039166.db2.gz ZKGKJZASNKTDDB-SNVBAGLBSA-N -1 3 322.817 3.522 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000376830283 337042234 /nfs/dbraw/zinc/04/22/34/337042234.db2.gz XRRBIHJHFHPYJA-CYBMUJFWSA-N -1 3 308.447 3.814 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000426752998 337045010 /nfs/dbraw/zinc/04/50/10/337045010.db2.gz BUFVFWHZJAHZOP-UGSOOPFHSA-N -1 3 309.365 3.984 20 0 DHADHM COC(=O)c1cnc(S[C@H]2CCCc3ccc(F)cc32)[n-]1 ZINC000193559461 337078386 /nfs/dbraw/zinc/07/83/86/337078386.db2.gz XWWLSDORQQLGBT-ZDUSSCGKSA-N -1 3 306.362 3.505 20 0 DHADHM COC[C@H](C)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000193607206 337078568 /nfs/dbraw/zinc/07/85/68/337078568.db2.gz DZUKPHLSICWPNC-ZDUSSCGKSA-N -1 3 307.434 3.746 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCCC[C@H]1c1ccccc1 ZINC000194098218 337081632 /nfs/dbraw/zinc/08/16/32/337081632.db2.gz GVCHUJUCGLUBFV-KRWDZBQOSA-N -1 3 311.381 3.855 20 0 DHADHM COc1ccc2cc(CN[C@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC000392128925 337082144 /nfs/dbraw/zinc/08/21/44/337082144.db2.gz HJAAUFFWMRFMBA-IBGZPJMESA-N -1 3 321.376 3.764 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000582480460 337096371 /nfs/dbraw/zinc/09/63/71/337096371.db2.gz AGOGWBNCHVCZHO-OPRDCNLKSA-N -1 3 310.191 3.529 20 0 DHADHM Cc1ccc(OCC(=O)Nc2c([O-])cccc2Cl)c(C)c1 ZINC000582597606 337111562 /nfs/dbraw/zinc/11/15/62/337111562.db2.gz VZEGXOHHDFNDAD-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000173355514 337134866 /nfs/dbraw/zinc/13/48/66/337134866.db2.gz GNIOZUIHXHHVAZ-SWLSCSKDSA-N -1 3 315.369 3.607 20 0 DHADHM CCc1ccc(-c2ccc(C(=O)[N-]c3nnc(C)s3)o2)cc1 ZINC000173713882 337135820 /nfs/dbraw/zinc/13/58/20/337135820.db2.gz ILDIWUPLNJSZHE-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM O=C(CCc1ccc2ccccc2n1)Nc1cccc([O-])c1F ZINC000582760960 337136050 /nfs/dbraw/zinc/13/60/50/337136050.db2.gz SRLSQMWKWOYVKH-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM O=C(NCCSc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000176304636 337150723 /nfs/dbraw/zinc/15/07/23/337150723.db2.gz WSHUFMGKEWDLQF-UHFFFAOYSA-N -1 3 307.802 3.568 20 0 DHADHM Cc1ccc(-c2cc(C(=O)[N-]c3ncccc3Cl)on2)cc1 ZINC000179654736 337170882 /nfs/dbraw/zinc/17/08/82/337170882.db2.gz IAJSNWJCEBQSFJ-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM Cc1ccc(-c2nsc([N-]C(=O)c3csnc3C)n2)s1 ZINC000181938203 337185481 /nfs/dbraw/zinc/18/54/81/337185481.db2.gz SWBQKVFHYXZTMM-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)oc1C ZINC000182151875 337186880 /nfs/dbraw/zinc/18/68/80/337186880.db2.gz AUAICBMHTJWCTI-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ncc(-c2ccccc2)o1 ZINC000182488733 337188614 /nfs/dbraw/zinc/18/86/14/337188614.db2.gz LUQIHTGRFXZZSM-GFCCVEGCSA-N -1 3 308.337 3.538 20 0 DHADHM C[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000182505998 337188720 /nfs/dbraw/zinc/18/87/20/337188720.db2.gz HFRRVEYEEWIZCE-GFCCVEGCSA-N -1 3 315.800 3.562 20 0 DHADHM Cc1cccc([C@@H](NC(=O)c2cccc([O-])c2)c2ccccn2)c1 ZINC000182957913 337190893 /nfs/dbraw/zinc/19/08/93/337190893.db2.gz AYQRXASJJOJDJG-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000183267219 337192638 /nfs/dbraw/zinc/19/26/38/337192638.db2.gz JVXOKIVVNAJGCP-NEPJUHHUSA-N -1 3 307.271 3.552 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000183273333 337192714 /nfs/dbraw/zinc/19/27/14/337192714.db2.gz LLLWMYGJWFUFLC-QWRGUYRKSA-N -1 3 307.271 3.552 20 0 DHADHM O=[S@](Cc1ccc(Br)s1)c1cccc([O-])c1 ZINC000184071181 337195877 /nfs/dbraw/zinc/19/58/77/337195877.db2.gz GRIYPBNFJXPHKP-MRXNPFEDSA-N -1 3 317.229 3.524 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000023601191 337198218 /nfs/dbraw/zinc/19/82/18/337198218.db2.gz LTHQRCDCQXFCOY-UHFFFAOYSA-N -1 3 321.323 3.574 20 0 DHADHM Cc1cc(CN2CCC[C@H]2Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000583089437 337239256 /nfs/dbraw/zinc/23/92/56/337239256.db2.gz GCQGACNBKBJYNM-HNNXBMFYSA-N -1 3 317.360 3.632 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c2cccnc12 ZINC000397063802 337245704 /nfs/dbraw/zinc/24/57/04/337245704.db2.gz ZPHXTLZIBFJSDJ-DGCLKSJQSA-N -1 3 318.804 3.573 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000186423093 337255966 /nfs/dbraw/zinc/25/59/66/337255966.db2.gz FXZJXBDFUSJHHJ-QGZVFWFLSA-N -1 3 321.779 3.758 20 0 DHADHM COC(=O)c1cnc(SCc2csc(C3CCCC3)n2)[n-]1 ZINC000187599502 337267159 /nfs/dbraw/zinc/26/71/59/337267159.db2.gz HEWWBVDMDMXCCC-UHFFFAOYSA-N -1 3 323.443 3.603 20 0 DHADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000063803213 337289001 /nfs/dbraw/zinc/28/90/01/337289001.db2.gz UFRMBSSPPNYUSH-UHFFFAOYSA-N -1 3 320.776 3.699 20 0 DHADHM Cc1cc(C)cc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000583718838 337317610 /nfs/dbraw/zinc/31/76/10/337317610.db2.gz GWZJPKZPYXFBNZ-UHFFFAOYSA-N -1 3 317.352 3.806 20 0 DHADHM O=C([O-])CCC1CCN(CCCc2ccccc2Cl)CC1 ZINC000584474861 337346284 /nfs/dbraw/zinc/34/62/84/337346284.db2.gz KNMOKVFIFLHTDI-UHFFFAOYSA-N -1 3 309.837 3.849 20 0 DHADHM Cc1cc(F)cc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000584534083 337357586 /nfs/dbraw/zinc/35/75/86/337357586.db2.gz APKUWWRFPXESLA-UHFFFAOYSA-N -1 3 321.315 3.636 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221542502 337368082 /nfs/dbraw/zinc/36/80/82/337368082.db2.gz DQALROWSFQCJEL-IQJOONFLSA-N -1 3 302.201 3.849 20 0 DHADHM C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)[C@H]1C(=O)[O-] ZINC000300272509 337385629 /nfs/dbraw/zinc/38/56/29/337385629.db2.gz MOADHDDMLPADKG-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(F)cc(F)c1 ZINC000109110928 337388185 /nfs/dbraw/zinc/38/81/85/337388185.db2.gz UNVDQKYLTUACQW-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(F)c(F)c1 ZINC000109111387 337388187 /nfs/dbraw/zinc/38/81/87/337388187.db2.gz JPNSRCZNQRFQJS-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM Cc1ccc(CSCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000124287878 337404627 /nfs/dbraw/zinc/40/46/27/337404627.db2.gz QIANQSJLOVHMFT-UHFFFAOYSA-N -1 3 305.374 3.712 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000424811228 337427996 /nfs/dbraw/zinc/42/79/96/337427996.db2.gz XOBSXDQGZZJRFP-BDAKNGLRSA-N -1 3 321.270 3.758 20 0 DHADHM CCOc1cc(-c2noc([C@H](C)CC(F)(F)F)n2)ccc1[O-] ZINC000420495288 337503624 /nfs/dbraw/zinc/50/36/24/337503624.db2.gz UAIJPDOXWMUABK-MRVPVSSYSA-N -1 3 316.279 3.897 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc(NC3CC3)nc2)c2c([O-])cccc21 ZINC000571823048 337578297 /nfs/dbraw/zinc/57/82/97/337578297.db2.gz QHGNJQJPRWBWHK-LBPRGKRZSA-N -1 3 323.396 3.516 20 0 DHADHM COc1ccc([C@@H](NCc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000262956203 337622697 /nfs/dbraw/zinc/62/26/97/337622697.db2.gz BKBZTFGJHGXNPM-SFHVURJKSA-N -1 3 313.397 3.880 20 0 DHADHM CC(C)c1ccccc1OCCNCc1cccc(C(=O)[O-])c1 ZINC000263418512 337628348 /nfs/dbraw/zinc/62/83/48/337628348.db2.gz OBEVJDHBRBAMHH-UHFFFAOYSA-N -1 3 313.397 3.677 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1[O-] ZINC000572398365 337632054 /nfs/dbraw/zinc/63/20/54/337632054.db2.gz IWPYANWYFJUGGQ-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421961984 337662645 /nfs/dbraw/zinc/66/26/45/337662645.db2.gz LRVNZKCNWFFGRS-LBPRGKRZSA-N -1 3 315.335 3.759 20 0 DHADHM CCOc1cc(-c2noc(CC3CCCCC3)n2)ccc1[O-] ZINC000445417398 337692176 /nfs/dbraw/zinc/69/21/76/337692176.db2.gz JJHWIZMRPYPITE-UHFFFAOYSA-N -1 3 302.374 3.964 20 0 DHADHM CCOc1cc(-c2noc(Cc3cccc(CC)c3)n2)ccc1[O-] ZINC000445419345 337711370 /nfs/dbraw/zinc/71/13/70/337711370.db2.gz QBHQPJUBMFQLKD-UHFFFAOYSA-N -1 3 324.380 3.994 20 0 DHADHM CCOc1cc(-c2noc(-c3sccc3C)n2)ccc1[O-] ZINC000445426095 337726682 /nfs/dbraw/zinc/72/66/82/337726682.db2.gz IAGATOLPPVAHGM-UHFFFAOYSA-N -1 3 302.355 3.878 20 0 DHADHM CCOc1cc(-c2noc(CCC3CCCC3)n2)ccc1[O-] ZINC000445428800 337728710 /nfs/dbraw/zinc/72/87/10/337728710.db2.gz XLEKCGRUMVTQPM-UHFFFAOYSA-N -1 3 302.374 3.964 20 0 DHADHM O=C(CCSCc1ccccc1)Nc1cccc([O-])c1F ZINC000527169847 337735240 /nfs/dbraw/zinc/73/52/40/337735240.db2.gz DLAVCPQXXTZBHN-UHFFFAOYSA-N -1 3 305.374 3.793 20 0 DHADHM CCCc1nnc([N-]C(=O)c2ccsc2C(F)(F)F)s1 ZINC000528124733 337791308 /nfs/dbraw/zinc/79/13/08/337791308.db2.gz JOBJHJGVNWLWPM-UHFFFAOYSA-N -1 3 321.349 3.823 20 0 DHADHM C[C@H]1CC[C@H](c2noc(-c3cc4c(cc3[O-])CCCC4)n2)O1 ZINC000528241490 337798008 /nfs/dbraw/zinc/79/80/08/337798008.db2.gz QATVNPHQEJOELX-ZUZCIYMTSA-N -1 3 300.358 3.561 20 0 DHADHM Cc1ccc(NC(=O)c2sccc2Br)c([O-])c1 ZINC000044982659 337816065 /nfs/dbraw/zinc/81/60/65/337816065.db2.gz QIPGUBZESQHKDK-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000533159821 337832143 /nfs/dbraw/zinc/83/21/43/337832143.db2.gz YZXJXCVIMASMCB-KSSFIOAISA-N -1 3 313.784 3.888 20 0 DHADHM Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000119488879 337861013 /nfs/dbraw/zinc/86/10/13/337861013.db2.gz AAANKDIHIGVJST-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000119484317 337861034 /nfs/dbraw/zinc/86/10/34/337861034.db2.gz TYSGHBYNIKGQSW-JTQLQIEISA-N -1 3 321.323 3.512 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000424613408 337917734 /nfs/dbraw/zinc/91/77/34/337917734.db2.gz BERNIELAINSCPN-GXFFZTMASA-N -1 3 324.471 3.707 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ccc(Cl)cc1Cl ZINC000424622358 337925740 /nfs/dbraw/zinc/92/57/40/337925740.db2.gz QAHIRIHZBGWHSW-ZANVPECISA-N -1 3 304.217 3.828 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1[O-] ZINC000515226144 337982497 /nfs/dbraw/zinc/98/24/97/337982497.db2.gz IFJMCSREWSAYKP-CHWSQXEVSA-N -1 3 315.394 3.707 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C2CC2)c1 ZINC000515372918 337987547 /nfs/dbraw/zinc/98/75/47/337987547.db2.gz CLCKFNVYMHSRLJ-GFCCVEGCSA-N -1 3 309.413 3.788 20 0 DHADHM Cc1cc(CCCC(=O)NCc2ccc([O-])c(F)c2)c(C)s1 ZINC000084632356 338003698 /nfs/dbraw/zinc/00/36/98/338003698.db2.gz WSNNPVGZFMYUHX-UHFFFAOYSA-N -1 3 321.417 3.849 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cc(C)ccc3F)no2)c1[O-] ZINC000445455173 338017351 /nfs/dbraw/zinc/01/73/51/338017351.db2.gz IYVIEYJZTSMDAO-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM CC(C)(C)CC[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426743678 338040201 /nfs/dbraw/zinc/04/02/01/338040201.db2.gz UYQPRXJGFYDENE-CYBMUJFWSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1ccccc1C[C@@H](CNCc1ccsc1Cl)C(=O)[O-] ZINC000426650426 338036958 /nfs/dbraw/zinc/03/69/58/338036958.db2.gz CJZYLAPCJFYBDJ-AWEZNQCLSA-N -1 3 323.845 3.743 20 0 DHADHM O=C([O-])C[C@@H](NCc1cccc2[nH]ccc21)c1ccsc1 ZINC000426672979 338037774 /nfs/dbraw/zinc/03/77/74/338037774.db2.gz VDEMXFDONQXLLQ-OAHLLOKOSA-N -1 3 300.383 3.535 20 0 DHADHM COc1ccc(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000426688021 338038079 /nfs/dbraw/zinc/03/80/79/338038079.db2.gz NQBYLTUQSAMUSQ-NWDGAFQWSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000426700627 338038531 /nfs/dbraw/zinc/03/85/31/338038531.db2.gz SMZZITKWJGTIRF-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CCc1ccc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000426701881 338038551 /nfs/dbraw/zinc/03/85/51/338038551.db2.gz BNUBMGROOYQNLT-CYBMUJFWSA-N -1 3 321.804 3.844 20 0 DHADHM O=C([O-])c1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 ZINC000426708585 338038783 /nfs/dbraw/zinc/03/87/83/338038783.db2.gz KZYYJNGZSBKSPZ-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])cc1 ZINC000426711911 338038827 /nfs/dbraw/zinc/03/88/27/338038827.db2.gz STHPKWKVUFLRJY-HNNXBMFYSA-N -1 3 321.323 3.512 20 0 DHADHM CCCC1CCC(CNCc2nc(C)c(C(=O)[O-])s2)CC1 ZINC000426716979 338039013 /nfs/dbraw/zinc/03/90/13/338039013.db2.gz ZDTYGRQBRQTNQN-UHFFFAOYSA-N -1 3 310.463 3.846 20 0 DHADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426722112 338039222 /nfs/dbraw/zinc/03/92/22/338039222.db2.gz GBRFMOPBTOEUPF-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1cccc([C@@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])c1C ZINC000426725880 338039425 /nfs/dbraw/zinc/03/94/25/338039425.db2.gz FUWGJWAOONLKQL-MJICGBHWSA-N -1 3 313.372 3.871 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@H]1NCc1nc(-c2ccccc2)cs1 ZINC000426730720 338039733 /nfs/dbraw/zinc/03/97/33/338039733.db2.gz LZQJSPHPWHZQLW-PBHICJAKSA-N -1 3 316.426 3.543 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000426746621 338040513 /nfs/dbraw/zinc/04/05/13/338040513.db2.gz KEZDPDZWBQURLI-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1ccc(Oc2ccccc2)o1 ZINC000426749564 338040580 /nfs/dbraw/zinc/04/05/80/338040580.db2.gz GUUQSGPLBSAGLQ-CRAIPNDOSA-N -1 3 315.369 3.805 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(F)cc2)cc1 ZINC000426756166 338040882 /nfs/dbraw/zinc/04/08/82/338040882.db2.gz IKBQEGFTDPZYDY-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426757814 338041010 /nfs/dbraw/zinc/04/10/10/338041010.db2.gz FSSRVSRTPMUKMV-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCCCC[C@H]2C(=O)[O-])cs1 ZINC000426758669 338041082 /nfs/dbraw/zinc/04/10/82/338041082.db2.gz JAKBPZDHWLXLKB-KGLIPLIRSA-N -1 3 324.490 3.954 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2ccnc3ccncc23)on1 ZINC000428182831 338041972 /nfs/dbraw/zinc/04/19/72/338041972.db2.gz FCQCPZCQXVTYQI-UHFFFAOYSA-N -1 3 310.357 3.774 20 0 DHADHM O=C(NCCCCCc1ccc(F)cc1)c1cccc([O-])c1 ZINC000428624688 338057261 /nfs/dbraw/zinc/05/72/61/338057261.db2.gz NDQQDGPOVRLLCL-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000430274945 338104061 /nfs/dbraw/zinc/10/40/61/338104061.db2.gz GHRQABYGUGXZSD-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM COC(=O)c1cnc(SCc2cccc(Cl)c2Cl)[n-]1 ZINC000432665721 338161870 /nfs/dbraw/zinc/16/18/70/338161870.db2.gz QISGCHWTJAZWSN-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM Cc1ncsc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432704907 338163596 /nfs/dbraw/zinc/16/35/96/338163596.db2.gz POGKXWGXNBKERU-UVTDQMKNSA-N -1 3 309.394 3.730 20 0 DHADHM O=C(Nc1ccc(-c2cnco2)cc1)c1cc([O-])ccc1Cl ZINC000433316714 338191895 /nfs/dbraw/zinc/19/18/95/338191895.db2.gz GYFKBUJXKQUBGP-UHFFFAOYSA-N -1 3 314.728 3.953 20 0 DHADHM O=C(NC1(c2nccs2)CCCC1)c1cc([O-])ccc1Cl ZINC000433353772 338193706 /nfs/dbraw/zinc/19/37/06/338193706.db2.gz LSBDUUFGRYUOIK-UHFFFAOYSA-N -1 3 322.817 3.701 20 0 DHADHM COc1ccccc1C(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000433355040 338193720 /nfs/dbraw/zinc/19/37/20/338193720.db2.gz UZSKTBDNTYVUBI-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM Cc1cccc(C)c1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433376918 338194220 /nfs/dbraw/zinc/19/42/20/338194220.db2.gz OUJCYWUAGGHVQU-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM CC(C)(c1ccc(C(=O)Nc2ncccc2[O-])cc1)C(F)(F)F ZINC000434260095 338213788 /nfs/dbraw/zinc/21/37/88/338213788.db2.gz KBFUXWJMJMRDTB-UHFFFAOYSA-N -1 3 324.302 3.879 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c(F)c2)CC)n1 ZINC000435341243 338237573 /nfs/dbraw/zinc/23/75/73/338237573.db2.gz UZNZSJCIFXFIAH-XYOKQWHBSA-N -1 3 304.340 3.951 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1 ZINC000435722899 338246298 /nfs/dbraw/zinc/24/62/98/338246298.db2.gz LUOSUKVXALERCN-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c2cc(F)ccc21 ZINC000435796837 338249644 /nfs/dbraw/zinc/24/96/44/338249644.db2.gz IVYXOSSWCBTJPQ-UHFFFAOYSA-N -1 3 318.735 3.929 20 0 DHADHM O=C(Nc1cccc(F)c1F)c1cn[n-]c1-c1ccsc1 ZINC000436304638 338267959 /nfs/dbraw/zinc/26/79/59/338267959.db2.gz HDICTTORTNXOLJ-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM O=C(Nc1cccc(F)c1F)c1c[n-]nc1-c1ccsc1 ZINC000436304638 338267960 /nfs/dbraw/zinc/26/79/60/338267960.db2.gz HDICTTORTNXOLJ-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM Cn1nc2ccccc2c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000436523108 338274923 /nfs/dbraw/zinc/27/49/23/338274923.db2.gz ZVZQILURFQSPFV-UHFFFAOYSA-N -1 3 323.396 3.829 20 0 DHADHM CCCOCc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000436522392 338274991 /nfs/dbraw/zinc/27/49/91/338274991.db2.gz LNRNJEWGNXCLKS-UHFFFAOYSA-N -1 3 313.397 3.557 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000436530327 338275374 /nfs/dbraw/zinc/27/53/74/338275374.db2.gz DQLDHJIGSAUSIY-OLZOCXBDSA-N -1 3 314.291 3.992 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000436533702 338275636 /nfs/dbraw/zinc/27/56/36/338275636.db2.gz VCGQWOIKJLMRRD-CYBMUJFWSA-N -1 3 322.364 3.847 20 0 DHADHM COc1cccc([C@H](C)Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436534217 338275786 /nfs/dbraw/zinc/27/57/86/338275786.db2.gz OFKHIGANEBPOSA-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM [O-]c1ccccc1-c1nc(CCn2ccc3ccccc32)no1 ZINC000436535892 338275921 /nfs/dbraw/zinc/27/59/21/338275921.db2.gz UJNWLNOPAGYAMU-UHFFFAOYSA-N -1 3 305.337 3.640 20 0 DHADHM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C)cc1[O-] ZINC000436548007 338276551 /nfs/dbraw/zinc/27/65/51/338276551.db2.gz LBWDHFIZKAVFQN-UHFFFAOYSA-N -1 3 315.388 3.935 20 0 DHADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436553905 338276856 /nfs/dbraw/zinc/27/68/56/338276856.db2.gz IKDOCGCFJUQEKT-INIZCTEOSA-N -1 3 319.445 3.937 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)cc1[O-] ZINC000436556657 338276976 /nfs/dbraw/zinc/27/69/76/338276976.db2.gz OTJSWBTUTRQITA-SNVBAGLBSA-N -1 3 317.410 3.764 20 0 DHADHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c([O-])c1 ZINC000436564713 338277171 /nfs/dbraw/zinc/27/71/71/338277171.db2.gz RTPFWWLTOUNLFN-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c([O-])c1C ZINC000436566268 338277471 /nfs/dbraw/zinc/27/74/71/338277471.db2.gz KZXRKYHLZDMXSV-HNNXBMFYSA-N -1 3 313.372 3.778 20 0 DHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCC12CCC2 ZINC000436573591 338277840 /nfs/dbraw/zinc/27/78/40/338277840.db2.gz IRURDVATPDCSBC-UHFFFAOYSA-N -1 3 323.392 3.740 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000436576451 338278016 /nfs/dbraw/zinc/27/80/16/338278016.db2.gz QPUUBIDXDUQDAY-ZIAGYGMSSA-N -1 3 311.381 3.913 20 0 DHADHM COc1ccc(C(=O)NCc2csc3ccccc23)c([O-])c1 ZINC000436577685 338278049 /nfs/dbraw/zinc/27/80/49/338278049.db2.gz OYPWMXZLPFIRAS-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM COc1cccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1[O-] ZINC000436586063 338278485 /nfs/dbraw/zinc/27/84/85/338278485.db2.gz UTGISFMQYBNSSR-QGZVFWFLSA-N -1 3 311.381 3.590 20 0 DHADHM Cc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)c([O-])c1 ZINC000436586195 338278551 /nfs/dbraw/zinc/27/85/51/338278551.db2.gz RWMIRACHJJDOAZ-UHFFFAOYSA-N -1 3 324.405 3.550 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1[O-] ZINC000436587087 338278586 /nfs/dbraw/zinc/27/85/86/338278586.db2.gz VIMJIOPVCLOLJI-HNNXBMFYSA-N -1 3 324.424 3.792 20 0 DHADHM O=c1nc(Cc2ccc(O)cc2)[n-]c2sc3ccccc3c21 ZINC000436598157 338279283 /nfs/dbraw/zinc/27/92/83/338279283.db2.gz YXIJRFKOEJULBD-UHFFFAOYSA-N -1 3 308.362 3.847 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cncs3)n2)c2ccccc12 ZINC000436606673 338279629 /nfs/dbraw/zinc/27/96/29/338279629.db2.gz DSBACPJHQFMOGZ-UHFFFAOYSA-N -1 3 309.350 3.643 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000436607244 338279655 /nfs/dbraw/zinc/27/96/55/338279655.db2.gz OMAQGRDOOSYUSV-LJQANCHMSA-N -1 3 313.372 3.644 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(CN3CCCC3)ccc2C)c([O-])c1 ZINC000436610840 338279748 /nfs/dbraw/zinc/27/97/48/338279748.db2.gz XUBFRSCXVJMIAY-UHFFFAOYSA-N -1 3 324.424 3.857 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436614044 338279918 /nfs/dbraw/zinc/27/99/18/338279918.db2.gz UPTBZRCNHUNKDQ-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3nccs3)n2)c2ccccc12 ZINC000436616218 338280089 /nfs/dbraw/zinc/28/00/89/338280089.db2.gz HWIWFKDIAMYSHR-UHFFFAOYSA-N -1 3 323.377 3.837 20 0 DHADHM CCc1ocnc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614302 338280164 /nfs/dbraw/zinc/28/01/64/338280164.db2.gz WCCWDIWBBXWBRV-UHFFFAOYSA-N -1 3 307.309 3.813 20 0 DHADHM CN(CCc1cccc2ccccc21)C(=O)c1ccccc1[O-] ZINC000436623907 338280563 /nfs/dbraw/zinc/28/05/63/338280563.db2.gz JINDDYZLZIIREJ-UHFFFAOYSA-N -1 3 305.377 3.860 20 0 DHADHM CCC1(CC)CN(C(=O)c2c([O-])cccc2O)c2ccccc21 ZINC000436648025 338281256 /nfs/dbraw/zinc/28/12/56/338281256.db2.gz OSROMVFNNJESGB-UHFFFAOYSA-N -1 3 311.381 3.816 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2cc(C)cc(OC)c2[O-])s1 ZINC000436682243 338282674 /nfs/dbraw/zinc/28/26/74/338282674.db2.gz USCHORNYPZDKKE-UHFFFAOYSA-N -1 3 320.414 3.679 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3ccc([O-])c(CC)c3)c2C1 ZINC000436690410 338283055 /nfs/dbraw/zinc/28/30/55/338283055.db2.gz QFGCVMZBGPMLBT-UHFFFAOYSA-N -1 3 324.424 3.933 20 0 DHADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1OC(C)C ZINC000436697543 338283082 /nfs/dbraw/zinc/28/30/82/338283082.db2.gz UXNZUFWZXXRVRA-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM COc1cc(-c2nc([C@@H]3CCCC[C@H]3C)no2)cc(OC)c1[O-] ZINC000436691874 338283121 /nfs/dbraw/zinc/28/31/21/338283121.db2.gz VMNRSXKNBWCYDS-ZYHUDNBSSA-N -1 3 318.373 3.753 20 0 DHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436695697 338283192 /nfs/dbraw/zinc/28/31/92/338283192.db2.gz FJRZLZLPKHFKPI-HOCLYGCPSA-N -1 3 307.459 3.749 20 0 DHADHM COCCn1ccc2ccc(NC(=O)c3ccc(C)cc3[O-])cc21 ZINC000436702166 338283274 /nfs/dbraw/zinc/28/32/74/338283274.db2.gz CBKYJMMEMSQEQC-UHFFFAOYSA-N -1 3 324.380 3.554 20 0 DHADHM CCSc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000436737001 338284793 /nfs/dbraw/zinc/28/47/93/338284793.db2.gz HKFJBXIGPZRQHF-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM CC(C)CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436752366 338285454 /nfs/dbraw/zinc/28/54/54/338285454.db2.gz AKSVSDRARRHUJA-UHFFFAOYSA-N -1 3 313.397 3.699 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2C)c1[O-] ZINC000436754899 338285549 /nfs/dbraw/zinc/28/55/49/338285549.db2.gz IXBYTLQTTKZWHT-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1C ZINC000436755313 338285669 /nfs/dbraw/zinc/28/56/69/338285669.db2.gz KPSOULZZWFNHAA-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436759687 338285994 /nfs/dbraw/zinc/28/59/94/338285994.db2.gz DTESQECEWQYSIR-IUODEOHRSA-N -1 3 317.429 3.756 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2cccs2)c([O-])c1 ZINC000436759599 338286027 /nfs/dbraw/zinc/28/60/27/338286027.db2.gz CGAQZCYAXUSIOJ-LBPRGKRZSA-N -1 3 303.427 3.938 20 0 DHADHM C[C@@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436768293 338286561 /nfs/dbraw/zinc/28/65/61/338286561.db2.gz JCYSMXSJAAJWDU-SNVBAGLBSA-N -1 3 300.289 3.721 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000436768087 338286597 /nfs/dbraw/zinc/28/65/97/338286597.db2.gz HQIUHVATBXCFJK-CQSZACIVSA-N -1 3 314.728 3.772 20 0 DHADHM Cc1ccn(-c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)n1 ZINC000436772355 338286749 /nfs/dbraw/zinc/28/67/49/338286749.db2.gz NIWPJUZIEHLVFO-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cc(F)ccc3F)n2)cc1 ZINC000436770662 338286785 /nfs/dbraw/zinc/28/67/85/338286785.db2.gz SNXGVLSXRMAKDH-UHFFFAOYSA-N -1 3 302.280 3.506 20 0 DHADHM CC1=NN(c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)CC1 ZINC000436771286 338286854 /nfs/dbraw/zinc/28/68/54/338286854.db2.gz ZFWCOCLMVNXWBF-UHFFFAOYSA-N -1 3 320.352 3.695 20 0 DHADHM COc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1Cl ZINC000436776301 338287001 /nfs/dbraw/zinc/28/70/01/338287001.db2.gz INWUTSSARZCXOJ-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM Cn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])cc1C1CC1 ZINC000436795048 338287551 /nfs/dbraw/zinc/28/75/51/338287551.db2.gz XGRCGFVQJOBTAN-UHFFFAOYSA-N -1 3 313.401 3.553 20 0 DHADHM CCc1c(NC(=O)c2ccc(C)cc2[O-])cnn1-c1ccccc1 ZINC000436793276 338287619 /nfs/dbraw/zinc/28/76/19/338287619.db2.gz QXGHNSCRLTZLFL-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM COc1cc(F)c(F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436795306 338287706 /nfs/dbraw/zinc/28/77/06/338287706.db2.gz QLGOBVMYEJWRCE-UHFFFAOYSA-N -1 3 307.296 3.548 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c([O-])c1 ZINC000436799187 338287998 /nfs/dbraw/zinc/28/79/98/338287998.db2.gz XONHHRSGGYXEMQ-KRWDZBQOSA-N -1 3 309.409 3.938 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c([O-])c1 ZINC000436807626 338288183 /nfs/dbraw/zinc/28/81/83/338288183.db2.gz JIXJSNDQRZZYIP-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1O ZINC000436824071 338288622 /nfs/dbraw/zinc/28/86/22/338288622.db2.gz FOXMBKOKIKCDJP-UHFFFAOYSA-N -1 3 321.760 3.629 20 0 DHADHM CCc1ccc(C(=O)N[C@H](c2nc(C)cs2)C2CC2)c([O-])c1 ZINC000436832669 338289017 /nfs/dbraw/zinc/28/90/17/338289017.db2.gz JRHBYPQETQDJHB-HNNXBMFYSA-N -1 3 316.426 3.601 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436834794 338289173 /nfs/dbraw/zinc/28/91/73/338289173.db2.gz AUCWMJXEJYJIMP-ZWNOBZJWSA-N -1 3 315.335 3.758 20 0 DHADHM CCc1ccc(-c2nc(COc3cccc(F)c3)no2)c([O-])c1 ZINC000436841942 338289601 /nfs/dbraw/zinc/28/96/01/338289601.db2.gz UBZWKIAKWZESAS-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436845321 338289657 /nfs/dbraw/zinc/28/96/57/338289657.db2.gz CJONISXRVLINKM-MRXNPFEDSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(F)c(C(C)=O)c2)c([O-])c1 ZINC000436854806 338290019 /nfs/dbraw/zinc/29/00/19/338290019.db2.gz HJSJZYNQLPQBHK-UHFFFAOYSA-N -1 3 301.317 3.549 20 0 DHADHM CCOc1cc(-c2noc([C@H](OC)[C@@H](C)CC)n2)ccc1[O-] ZINC000436869053 338290707 /nfs/dbraw/zinc/29/07/07/338290707.db2.gz CMKJBNFJWQOWGZ-IINYFYTJSA-N -1 3 306.362 3.575 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cncc4ccccc43)n2)cc1 ZINC000436873788 338290891 /nfs/dbraw/zinc/29/08/91/338290891.db2.gz XSTCFPJYZAATTM-UHFFFAOYSA-N -1 3 317.348 3.776 20 0 DHADHM Cc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1Cl ZINC000436872574 338290956 /nfs/dbraw/zinc/29/09/56/338290956.db2.gz UNPQOXMYBCXHPJ-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM CC[C@@H](C)CN(CC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436874273 338291103 /nfs/dbraw/zinc/29/11/03/338291103.db2.gz VCVKDHMQMKGIDS-GFCCVEGCSA-N -1 3 305.418 3.614 20 0 DHADHM O=C(NC1CC(F)(F)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436877924 338291252 /nfs/dbraw/zinc/29/12/52/338291252.db2.gz ADJIIUNTNMSXQZ-UHFFFAOYSA-N -1 3 319.307 3.712 20 0 DHADHM CCOc1cc(-c2noc(CC3(C)CCCC3)n2)ccc1[O-] ZINC000436877140 338291267 /nfs/dbraw/zinc/29/12/67/338291267.db2.gz MWCMXKVJRWUBOY-UHFFFAOYSA-N -1 3 302.374 3.964 20 0 DHADHM CCc1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)c([O-])c1 ZINC000436882759 338291742 /nfs/dbraw/zinc/29/17/42/338291742.db2.gz VRUOVRJJBYAUNN-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cc(C)cc(F)c3)no2)c1[O-] ZINC000436890914 338292101 /nfs/dbraw/zinc/29/21/01/338292101.db2.gz DOEIIUPTFPUPJV-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1[O-] ZINC000436914055 338293252 /nfs/dbraw/zinc/29/32/52/338293252.db2.gz XXCSCSLBAGIUQS-UHFFFAOYSA-N -1 3 321.336 3.908 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000436914732 338293265 /nfs/dbraw/zinc/29/32/65/338293265.db2.gz KLXQXRQLEQSNRG-GOSISDBHSA-N -1 3 321.420 3.855 20 0 DHADHM Cc1cc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000436921676 338293471 /nfs/dbraw/zinc/29/34/71/338293471.db2.gz KHIGLXBANADRQR-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM COc1cccc(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1[O-] ZINC000436932548 338294162 /nfs/dbraw/zinc/29/41/62/338294162.db2.gz OCHYDSZYTIMNDV-GFCCVEGCSA-N -1 3 310.353 3.911 20 0 DHADHM C[C@@H](c1noc(-c2ccccc2[O-])n1)c1c(F)cccc1F ZINC000436931939 338294318 /nfs/dbraw/zinc/29/43/18/338294318.db2.gz NHWKAFUHCXCDNR-SECBINFHSA-N -1 3 302.280 3.872 20 0 DHADHM CSc1cc(C)ccc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436936720 338294342 /nfs/dbraw/zinc/29/43/42/338294342.db2.gz GOKRZCDJZBVLRV-UHFFFAOYSA-N -1 3 301.411 3.661 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c([O-])c1 ZINC000436935747 338294533 /nfs/dbraw/zinc/29/45/33/338294533.db2.gz LLJZFTFNVITBMV-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM COc1ccc([C@@H](C)CCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000436939587 338294572 /nfs/dbraw/zinc/29/45/72/338294572.db2.gz OWWCEUAFACXMHJ-ZDUSSCGKSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c([O-])c1C ZINC000436937262 338294594 /nfs/dbraw/zinc/29/45/94/338294594.db2.gz PVVHGRBGVRLRSQ-UHFFFAOYSA-N -1 3 321.380 4.000 20 0 DHADHM CC[C@@H](CNC(=O)c1ccc([O-])c(C)c1)Oc1cccc(C)c1 ZINC000436939725 338294771 /nfs/dbraw/zinc/29/47/71/338294771.db2.gz QFNSJWGJRMYLIC-INIZCTEOSA-N -1 3 313.397 3.596 20 0 DHADHM COc1ccc([O-])c(-c2nc(CCCc3ccsc3)no2)c1 ZINC000436946748 338295145 /nfs/dbraw/zinc/29/51/45/338295145.db2.gz KBPTWYJEIBALOJ-UHFFFAOYSA-N -1 3 316.382 3.688 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964204 338296046 /nfs/dbraw/zinc/29/60/46/338296046.db2.gz PWRBYTNSTXDDHA-CYBMUJFWSA-N -1 3 321.486 3.875 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC2(CC2)c2ccccc21 ZINC000436971393 338296333 /nfs/dbraw/zinc/29/63/33/338296333.db2.gz OMMSBTGIBRIVJM-UHFFFAOYSA-N -1 3 319.404 3.963 20 0 DHADHM O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436974223 338296464 /nfs/dbraw/zinc/29/64/64/338296464.db2.gz XDADLYSLCGXXHO-GOSISDBHSA-N -1 3 322.408 3.547 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CC4(C3)CCCCC4)c([O-])c2O1 ZINC000436982348 338296551 /nfs/dbraw/zinc/29/65/51/338296551.db2.gz GMBNYIWTGSCTKI-UHFFFAOYSA-N -1 3 315.413 3.512 20 0 DHADHM O=C(NCC1CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436986965 338296739 /nfs/dbraw/zinc/29/67/39/338296739.db2.gz ICLMTZXTSBGRSF-UHFFFAOYSA-N -1 3 311.381 3.501 20 0 DHADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436987444 338296797 /nfs/dbraw/zinc/29/67/97/338296797.db2.gz IYQDCANLNBZHLW-UPJWGTAASA-N -1 3 317.429 3.612 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436991637 338297043 /nfs/dbraw/zinc/29/70/43/338297043.db2.gz RUJJLSUYYPAUMN-GWCFXTLKSA-N -1 3 315.335 3.929 20 0 DHADHM CS[C@H]1CCCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000436991450 338297056 /nfs/dbraw/zinc/29/70/56/338297056.db2.gz YEIUSYATGMMRNN-AWEZNQCLSA-N -1 3 319.470 3.629 20 0 DHADHM CC(C)N(C)c1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000438333359 338339852 /nfs/dbraw/zinc/33/98/52/338339852.db2.gz UPWUNZFUFLRNPI-UHFFFAOYSA-N -1 3 302.393 3.666 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3ccccc3)C[C@H]2C)n1 ZINC000439315831 338366915 /nfs/dbraw/zinc/36/69/15/338366915.db2.gz BXQUKJTXXSBTJO-ZBFHGGJFSA-N -1 3 311.429 3.513 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000448632015 338382428 /nfs/dbraw/zinc/38/24/28/338382428.db2.gz GDCTURBSJURTCJ-MRXNPFEDSA-N -1 3 317.335 3.577 20 0 DHADHM O=S(=O)([N-][C@H]1CC=CCC1)c1c(Cl)ccc2ccccc21 ZINC000440401039 338386790 /nfs/dbraw/zinc/38/67/90/338386790.db2.gz VIMMMYRNCJUCOY-ZDUSSCGKSA-N -1 3 321.829 3.880 20 0 DHADHM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C)cc1[O-] ZINC000156922266 338392257 /nfs/dbraw/zinc/39/22/57/338392257.db2.gz JLOLGORUDWWZSG-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM Cc1cc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c(C)s1 ZINC000448676489 338433443 /nfs/dbraw/zinc/43/34/43/338433443.db2.gz RTROCVQBZQURHC-SNVBAGLBSA-N -1 3 307.390 3.630 20 0 DHADHM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2Cl)ccc1[O-] ZINC000442874030 338437096 /nfs/dbraw/zinc/43/70/96/338437096.db2.gz SLSLJVYUYFHDRR-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM COc1cccc([C@H](C)CCCC(=O)Nc2ncccc2[O-])c1 ZINC000447532381 338554562 /nfs/dbraw/zinc/55/45/62/338554562.db2.gz UADJRRIKYZTUAR-CYBMUJFWSA-N -1 3 314.385 3.708 20 0 DHADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000447861118 338569731 /nfs/dbraw/zinc/56/97/31/338569731.db2.gz MZXBQKYXCNLPAW-KRWDZBQOSA-N -1 3 317.360 3.706 20 0 DHADHM CC1(C)C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450175735 338669947 /nfs/dbraw/zinc/66/99/47/338669947.db2.gz XFHJGNPTMVZAHU-INIZCTEOSA-N -1 3 313.372 3.613 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCCC12CCCC2 ZINC000451905216 338747993 /nfs/dbraw/zinc/74/79/93/338747993.db2.gz HJQBSDQHLFWJMW-INIZCTEOSA-N -1 3 305.393 3.693 20 0 DHADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1[O-] ZINC000194809981 338760169 /nfs/dbraw/zinc/76/01/69/338760169.db2.gz CZMCMNYDTIOOFS-NSHDSACASA-N -1 3 312.394 3.835 20 0 DHADHM O=C(CCCc1nc(-c2ccc([O-])c3ccccc23)no1)C1CC1 ZINC000453186816 338804578 /nfs/dbraw/zinc/80/45/78/338804578.db2.gz NLAWTWOTWCYLQK-UHFFFAOYSA-N -1 3 322.364 3.897 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456323248 338926141 /nfs/dbraw/zinc/92/61/41/338926141.db2.gz ZZDFJIDJYPOIPB-ROUUACIJSA-N -1 3 311.425 3.532 20 0 DHADHM C[C@H](CCCc1cccnc1)NC(=O)c1cc([O-])ccc1Cl ZINC000457940494 338983506 /nfs/dbraw/zinc/98/35/06/338983506.db2.gz PLOKXADCVMBBQM-GFCCVEGCSA-N -1 3 318.804 3.582 20 0 DHADHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459356829 339024135 /nfs/dbraw/zinc/02/41/35/339024135.db2.gz AWOYBFQSFPMGDA-UHFFFAOYSA-N -1 3 317.820 3.738 20 0 DHADHM C[C@@H](c1ccccc1)N(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459359014 339024246 /nfs/dbraw/zinc/02/42/46/339024246.db2.gz UGGAMLWVUDHKME-ZDUSSCGKSA-N -1 3 309.413 3.785 20 0 DHADHM C[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H](c2ccco2)C1 ZINC000459370116 339025205 /nfs/dbraw/zinc/02/52/05/339025205.db2.gz WXMZPZVOGYGHFT-SWLSCSKDSA-N -1 3 313.401 3.626 20 0 DHADHM C[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H](c2ccco2)C1 ZINC000459370115 339025267 /nfs/dbraw/zinc/02/52/67/339025267.db2.gz WXMZPZVOGYGHFT-IUODEOHRSA-N -1 3 313.401 3.626 20 0 DHADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459394167 339026682 /nfs/dbraw/zinc/02/66/82/339026682.db2.gz ZILBFZFJUSPHDH-HNNXBMFYSA-N -1 3 319.355 3.579 20 0 DHADHM CCOc1cc(CN(C)Cc2occc2C)cc(Cl)c1[O-] ZINC000459563889 339035990 /nfs/dbraw/zinc/03/59/90/339035990.db2.gz VYEAYJUDLCVSCY-UHFFFAOYSA-N -1 3 309.793 3.978 20 0 DHADHM CCOc1cc(CNCc2cnc(C3CC3)o2)cc(Cl)c1[O-] ZINC000459579792 339037162 /nfs/dbraw/zinc/03/71/62/339037162.db2.gz ZQKNYWQWHQDTAS-UHFFFAOYSA-N -1 3 322.792 3.600 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000461432420 339063779 /nfs/dbraw/zinc/06/37/79/339063779.db2.gz UHXFWYMVUMAEHY-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000462326837 339075882 /nfs/dbraw/zinc/07/58/82/339075882.db2.gz LUPREXIAUFXOGW-PSASIEDQSA-N -1 3 303.280 3.666 20 0 DHADHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462361340 339076714 /nfs/dbraw/zinc/07/67/14/339076714.db2.gz NZJVMGQHGYJHHO-SECBINFHSA-N -1 3 323.380 3.597 20 0 DHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000462489219 339080023 /nfs/dbraw/zinc/08/00/23/339080023.db2.gz KMDMMUNOQHMFQE-UHFFFAOYSA-N -1 3 319.854 3.596 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CCC[C@@H]2C)o1 ZINC000462686035 339084217 /nfs/dbraw/zinc/08/42/17/339084217.db2.gz SUFHAGBRIUFMQJ-YVEFUNNKSA-N -1 3 319.426 3.580 20 0 DHADHM CC(C)C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000463018067 339100684 /nfs/dbraw/zinc/10/06/84/339100684.db2.gz FBYJIQZJGRYFOZ-AWEZNQCLSA-N -1 3 315.808 3.579 20 0 DHADHM Cc1ccc2oc([N-][C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)nc2c1 ZINC000463067346 339103879 /nfs/dbraw/zinc/10/38/79/339103879.db2.gz CWKQGIBMXWNIOT-CZUORRHYSA-N -1 3 321.380 3.742 20 0 DHADHM CCC[C@]1(C)CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000465982585 339189577 /nfs/dbraw/zinc/18/95/77/339189577.db2.gz QMLGPFWHJMJUTI-QGZVFWFLSA-N -1 3 308.397 3.643 20 0 DHADHM Cc1ccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468576359 339266714 /nfs/dbraw/zinc/26/67/14/339266714.db2.gz PZGTXUQPIYVGQV-UHFFFAOYSA-N -1 3 315.388 3.821 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1ccccc1 ZINC000468578684 339266717 /nfs/dbraw/zinc/26/67/17/339266717.db2.gz ACQKPZWVYDQHLW-UHFFFAOYSA-N -1 3 315.388 3.603 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000468812993 339271530 /nfs/dbraw/zinc/27/15/30/339271530.db2.gz DGQPJBFLAULAFQ-ZDUSSCGKSA-N -1 3 323.380 3.675 20 0 DHADHM Cc1cccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468972088 339276372 /nfs/dbraw/zinc/27/63/72/339276372.db2.gz NQZUZRLXPNXWDW-UHFFFAOYSA-N -1 3 301.361 3.825 20 0 DHADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469381400 339287356 /nfs/dbraw/zinc/28/73/56/339287356.db2.gz MXJQRLYGOZNYRG-MCBXIFIFSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@@H]1c2ccccc2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469421725 339288555 /nfs/dbraw/zinc/28/85/55/339288555.db2.gz GFUGNRZUAXSSOU-CYBMUJFWSA-N -1 3 313.372 3.957 20 0 DHADHM CC(C)(C)[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469566686 339293495 /nfs/dbraw/zinc/29/34/95/339293495.db2.gz HPEPKONEWYZJMD-CQSZACIVSA-N -1 3 307.409 3.749 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)OCc2ccccc2)c1[O-] ZINC000470392878 339318840 /nfs/dbraw/zinc/31/88/40/339318840.db2.gz JIMDPKPULZTMJB-LBPRGKRZSA-N -1 3 319.788 3.898 20 0 DHADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000471794552 339354248 /nfs/dbraw/zinc/35/42/48/339354248.db2.gz UANZDVHJALHFSN-VIFPVBQESA-N -1 3 322.817 3.868 20 0 DHADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)c(OC(C)C)c1 ZINC000472045342 339360484 /nfs/dbraw/zinc/36/04/84/339360484.db2.gz RZHYCIUJLMXJRF-UHFFFAOYSA-N -1 3 303.377 3.917 20 0 DHADHM Cc1ccc(-c2ccsc2C(=O)NCc2ncccc2[O-])cc1 ZINC000473635622 339389221 /nfs/dbraw/zinc/38/92/21/339389221.db2.gz BWRAADMMFYZSPO-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM CC(C)[C@H](CC1CCCCC1)C(=O)NCc1ncccc1[O-] ZINC000473645580 339389456 /nfs/dbraw/zinc/38/94/56/339389456.db2.gz VHPAQYZDEVOXFZ-HNNXBMFYSA-N -1 3 304.434 3.646 20 0 DHADHM COc1cc(-c2ccccc2)ccc1CNCc1ncccc1[O-] ZINC000475339980 339447890 /nfs/dbraw/zinc/44/78/90/339447890.db2.gz ZITGWLPUVVIPKW-UHFFFAOYSA-N -1 3 320.392 3.753 20 0 DHADHM CCO[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(C)C ZINC000476145743 339470257 /nfs/dbraw/zinc/47/02/57/339470257.db2.gz IRKZKEWAOUMCPF-ZDUSSCGKSA-N -1 3 319.323 3.801 20 0 DHADHM Cc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477311624 339492295 /nfs/dbraw/zinc/49/22/95/339492295.db2.gz ZCEIHRFFMLPEQZ-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000486699767 339731727 /nfs/dbraw/zinc/73/17/27/339731727.db2.gz XTULVGPDLNLDTE-HZPDHXFCSA-N -1 3 319.426 3.593 20 0 DHADHM CCc1cc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)ccc1[O-] ZINC000487704445 339761424 /nfs/dbraw/zinc/76/14/24/339761424.db2.gz CRKHVFJQEGOEDZ-MRXNPFEDSA-N -1 3 317.429 3.566 20 0 DHADHM CCc1cc(C(=O)NCC2CC(c3ccccc3)C2)ccc1[O-] ZINC000488352751 339778027 /nfs/dbraw/zinc/77/80/27/339778027.db2.gz SOJJEGVMKCLAMZ-UHFFFAOYSA-N -1 3 309.409 3.878 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c1Cl ZINC000489767977 339818012 /nfs/dbraw/zinc/81/80/12/339818012.db2.gz NKFIPZDOMAWSJV-SECBINFHSA-N -1 3 322.257 3.626 20 0 DHADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1Cl ZINC000490645715 339836362 /nfs/dbraw/zinc/83/63/62/339836362.db2.gz CTJZAKHYFNMOIP-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(-c3cccnc3)cc2)ccc1[O-] ZINC000499841247 340045565 /nfs/dbraw/zinc/04/55/65/340045565.db2.gz TZYBEQVHMGANFD-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM Cc1noc(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501953652 340091448 /nfs/dbraw/zinc/09/14/48/340091448.db2.gz WWGWECWLTUUBDD-UHFFFAOYSA-N -1 3 316.401 3.866 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]2CCCC[C@@H]12 ZINC000516585831 340095643 /nfs/dbraw/zinc/09/56/43/340095643.db2.gz DBKXJNRAPAPZOK-GLJUWKHASA-N -1 3 324.424 3.569 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C(C)(F)F ZINC000504895571 340155038 /nfs/dbraw/zinc/15/50/38/340155038.db2.gz UTTJLPSCWGTYIF-LURJTMIESA-N -1 3 313.222 3.521 20 0 DHADHM CCc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1 ZINC000505001706 340158402 /nfs/dbraw/zinc/15/84/02/340158402.db2.gz APBUTSWFCZRZLV-UHFFFAOYSA-N -1 3 306.325 3.949 20 0 DHADHM CCc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000505001706 340158403 /nfs/dbraw/zinc/15/84/03/340158403.db2.gz APBUTSWFCZRZLV-UHFFFAOYSA-N -1 3 306.325 3.949 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cccc3nccnc32)c([O-])c1 ZINC000506230915 340189457 /nfs/dbraw/zinc/18/94/57/340189457.db2.gz MFNILBJYMLIYGT-UHFFFAOYSA-N -1 3 321.380 3.885 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000506794259 340201985 /nfs/dbraw/zinc/20/19/85/340201985.db2.gz HIJJIJSKMGDWPH-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM Cc1cscc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000507917080 340235857 /nfs/dbraw/zinc/23/58/57/340235857.db2.gz HAOBKFYPYOOXDW-UHFFFAOYSA-N -1 3 315.847 3.694 20 0 DHADHM [O-]c1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1Cl ZINC000507984345 340236923 /nfs/dbraw/zinc/23/69/23/340236923.db2.gz FGMQRHOBNBBIHR-HNNXBMFYSA-N -1 3 302.805 3.732 20 0 DHADHM COc1cc(C)cc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000508584813 340247037 /nfs/dbraw/zinc/24/70/37/340247037.db2.gz ADGSGCSVQJZSLV-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CC1(C)CN(C(=O)c2cccc([O-])c2)c2cccc(Cl)c21 ZINC000509025065 340258612 /nfs/dbraw/zinc/25/86/12/340258612.db2.gz TVZFMBNKYBSAPU-UHFFFAOYSA-N -1 3 301.773 3.984 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(C)cc3cccnc32)c1 ZINC000509171595 340263059 /nfs/dbraw/zinc/26/30/59/340263059.db2.gz VAQWZMBTQDXHQW-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1cccc(C)c1CCNC(=O)Cc1ccc([O-])cc1Cl ZINC000509256422 340264706 /nfs/dbraw/zinc/26/47/06/340264706.db2.gz JAIZQBZDCXRQGJ-UHFFFAOYSA-N -1 3 317.816 3.564 20 0 DHADHM CN(C(=O)c1cccc([O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000509305424 340265767 /nfs/dbraw/zinc/26/57/67/340265767.db2.gz NZBAFHLIGPQKOH-UHFFFAOYSA-N -1 3 311.259 3.567 20 0 DHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc([O-])c1 ZINC000509324848 340266356 /nfs/dbraw/zinc/26/63/56/340266356.db2.gz SIIYBNZFDYTEBA-UHFFFAOYSA-N -1 3 321.298 3.830 20 0 DHADHM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000509821625 340280496 /nfs/dbraw/zinc/28/04/96/340280496.db2.gz UTFRSDUAFARDMM-UONOGXRCSA-N -1 3 305.418 3.736 20 0 DHADHM Cc1cc(C)n(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000302935383 340287845 /nfs/dbraw/zinc/28/78/45/340287845.db2.gz IWPJBYJKFSFSBP-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM CCCCOc1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC000302955967 340289694 /nfs/dbraw/zinc/28/96/94/340289694.db2.gz LCRVBENQCCJCNG-UHFFFAOYSA-N -1 3 315.369 3.832 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2c[nH]c3cc(F)ccc23)c1F ZINC000510386891 340297520 /nfs/dbraw/zinc/29/75/20/340297520.db2.gz RODQMDBZAUCMJM-UHFFFAOYSA-N -1 3 320.314 3.623 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000510841057 340312657 /nfs/dbraw/zinc/31/26/57/340312657.db2.gz IEGFUCQTHFRSSH-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000510841057 340312658 /nfs/dbraw/zinc/31/26/58/340312658.db2.gz IEGFUCQTHFRSSH-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000510841057 340312659 /nfs/dbraw/zinc/31/26/59/340312659.db2.gz IEGFUCQTHFRSSH-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM CCCn1c(=O)[n-]nc1SCCc1ccc2ccccc2c1 ZINC000511016259 340318255 /nfs/dbraw/zinc/31/82/55/340318255.db2.gz PBUKHNXYYGLTSY-UHFFFAOYSA-N -1 3 313.426 3.882 20 0 DHADHM COc1ccc([C@H](C)CCNCc2c(F)ccc([O-])c2F)cc1 ZINC000511124311 340321558 /nfs/dbraw/zinc/32/15/58/340321558.db2.gz SCYGKGCVDDLDER-GFCCVEGCSA-N -1 3 321.367 3.962 20 0 DHADHM CSc1cc(C)ccc1CNCc1c(F)ccc([O-])c1F ZINC000511605736 340332084 /nfs/dbraw/zinc/33/20/84/340332084.db2.gz RPLMMZQGSJSMOS-UHFFFAOYSA-N -1 3 309.381 3.991 20 0 DHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1[O-] ZINC000303577462 340335235 /nfs/dbraw/zinc/33/52/35/340335235.db2.gz ZPYVMMQBPQDPHB-NSHDSACASA-N -1 3 323.314 3.772 20 0 DHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000511696171 340335528 /nfs/dbraw/zinc/33/55/28/340335528.db2.gz UKGGETXKAHLDCB-CQSZACIVSA-N -1 3 319.426 3.973 20 0 DHADHM COc1ccc(C[C@H](C)CNCc2c(F)ccc([O-])c2F)cc1 ZINC000511824038 340339192 /nfs/dbraw/zinc/33/91/92/340339192.db2.gz SFXQSSAMHZTXIP-LBPRGKRZSA-N -1 3 321.367 3.647 20 0 DHADHM Cc1cccc(N(C)C(=O)c2c[n-]nc2-c2ccc(F)cc2)c1 ZINC000172750355 340339442 /nfs/dbraw/zinc/33/94/42/340339442.db2.gz VOGRBCDNHOAFSA-UHFFFAOYSA-N -1 3 309.344 3.801 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000512031138 340345518 /nfs/dbraw/zinc/34/55/18/340345518.db2.gz NHXKETWZFAPLPU-IUCAKERBSA-N -1 3 310.246 3.706 20 0 DHADHM COc1c(C)cnc(CN(C)Cc2cccc([O-])c2Cl)c1C ZINC000512438891 340361849 /nfs/dbraw/zinc/36/18/49/340361849.db2.gz LEUWMGCHFVYDOC-UHFFFAOYSA-N -1 3 320.820 3.698 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1C ZINC000512567643 340367306 /nfs/dbraw/zinc/36/73/06/340367306.db2.gz CPWOKDNLCQSMMJ-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512908601 340383696 /nfs/dbraw/zinc/38/36/96/340383696.db2.gz HUCILVYUDGHVHU-CJNGLKHVSA-N -1 3 305.418 3.833 20 0 DHADHM O=S(=O)([N-]CCC1=CCCC1)c1cccc(Cl)c1Cl ZINC000513166700 340395563 /nfs/dbraw/zinc/39/55/63/340395563.db2.gz SDSKZLZMBIKFTP-UHFFFAOYSA-N -1 3 320.241 3.772 20 0 DHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c1 ZINC000517723667 340476021 /nfs/dbraw/zinc/47/60/21/340476021.db2.gz LTAZZPRFZBLXIH-NEPJUHHUSA-N -1 3 319.829 3.632 20 0 DHADHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000183257981 340487297 /nfs/dbraw/zinc/48/72/97/340487297.db2.gz SYHFXEPWDYDTAF-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(F)ccc2F)c2c([O-])cccc21 ZINC000186299919 340510990 /nfs/dbraw/zinc/51/09/90/340510990.db2.gz FURYVKYDAYJCMD-SNVBAGLBSA-N -1 3 303.308 3.824 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Br)c(F)c2)ccc1[O-] ZINC000227034982 340594380 /nfs/dbraw/zinc/59/43/80/340594380.db2.gz ZZOBHBQPGQYAIM-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc([O-])ccc1Cl ZINC000236557425 340662643 /nfs/dbraw/zinc/66/26/43/340662643.db2.gz KNDOPKDKCJVSDW-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(C)c1 ZINC000525016364 340687164 /nfs/dbraw/zinc/68/71/64/340687164.db2.gz WQMWBBNCYASPBQ-UHFFFAOYSA-N -1 3 312.394 3.652 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(C1CC1)C1CCCC1 ZINC000530330200 340787797 /nfs/dbraw/zinc/78/77/97/340787797.db2.gz ZFTAXTAYXYLHGP-UHFFFAOYSA-N -1 3 305.393 3.788 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c(C)c1 ZINC000539399034 340883887 /nfs/dbraw/zinc/88/38/87/340883887.db2.gz WTJBOAWHUMZQKG-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cncc(-c2ccccc2)c1 ZINC000128905549 340927641 /nfs/dbraw/zinc/92/76/41/340927641.db2.gz CEACOHWINTWYTJ-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c1 ZINC000541505175 340972235 /nfs/dbraw/zinc/97/22/35/340972235.db2.gz GDETWOUYNIAHEW-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1nc(CC(C)C)c(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129603876 340975416 /nfs/dbraw/zinc/97/54/16/340975416.db2.gz LWDDJIAMTXSUPQ-UHFFFAOYSA-N -1 3 308.378 3.747 20 0 DHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc([O-])c1F ZINC000129696186 340982185 /nfs/dbraw/zinc/98/21/85/340982185.db2.gz PFMNHVHRYZVZPH-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM CC1(C)CCC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000542008341 340993075 /nfs/dbraw/zinc/99/30/75/340993075.db2.gz JAHUUFOWSNNTQY-JTQLQIEISA-N -1 3 312.207 3.920 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000542682434 341017108 /nfs/dbraw/zinc/01/71/08/341017108.db2.gz WIPBRJMSBMUQES-SUMWQHHRSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1cccc(-c2nc(COc3ccc(F)cc3)no2)c1[O-] ZINC000542707867 341018408 /nfs/dbraw/zinc/01/84/08/341018408.db2.gz MWULGSYQXNPVNY-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM CC[C@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000542909511 341026041 /nfs/dbraw/zinc/02/60/41/341026041.db2.gz VHSGAJOXCGYJBZ-YPMHNXCESA-N -1 3 311.809 3.888 20 0 DHADHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000542909510 341026081 /nfs/dbraw/zinc/02/60/81/341026081.db2.gz VHSGAJOXCGYJBZ-WCQYABFASA-N -1 3 311.809 3.888 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2Cl)sc1C ZINC000543033395 341028876 /nfs/dbraw/zinc/02/88/76/341028876.db2.gz VKZAHIYYEAIFMV-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)c1 ZINC000544318603 341076490 /nfs/dbraw/zinc/07/64/90/341076490.db2.gz YHDMDVUSYOVJHV-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccnc(Oc3ccccc3)c2)n1 ZINC000544324776 341076832 /nfs/dbraw/zinc/07/68/32/341076832.db2.gz CWAGKTTZZJJAOU-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM CCc1cccc(-c2nc(-c3ccccc3NC(C)=O)no2)c1[O-] ZINC000544924971 341099541 /nfs/dbraw/zinc/09/95/41/341099541.db2.gz NZKIURFQZWIAFU-UHFFFAOYSA-N -1 3 323.352 3.630 20 0 DHADHM Cc1ccc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)cn1 ZINC000544955115 341101124 /nfs/dbraw/zinc/10/11/24/341101124.db2.gz NILPOPNPENDVBP-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM C[C@H]1CCC[C@@H](CCN(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131687336 341108270 /nfs/dbraw/zinc/10/82/70/341108270.db2.gz OJVMQOFQGKAVEG-STQMWFEESA-N -1 3 319.474 3.633 20 0 DHADHM CCN(CCC1CC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000545520317 341128358 /nfs/dbraw/zinc/12/83/58/341128358.db2.gz FGQNLOOWIFXMFC-UHFFFAOYSA-N -1 3 311.385 3.704 20 0 DHADHM CC(C)n1cccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000132585996 341128651 /nfs/dbraw/zinc/12/86/51/341128651.db2.gz NYDLMLNXSRRLAN-UHFFFAOYSA-N -1 3 323.190 3.789 20 0 DHADHM CCc1cccc(-c2nc(Cc3ccc(F)cc3F)no2)c1[O-] ZINC000545564777 341130678 /nfs/dbraw/zinc/13/06/78/341130678.db2.gz DSQHYRJBTJPWSR-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)c1[O-] ZINC000545683523 341136161 /nfs/dbraw/zinc/13/61/61/341136161.db2.gz MYAQFJHYMOQEAN-UHFFFAOYSA-N -1 3 323.352 3.601 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC000132950698 341150553 /nfs/dbraw/zinc/15/05/53/341150553.db2.gz QVSHPNDIONTHOH-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM CCc1cccc(-c2nc([C@@H]3OCCc4ccccc43)no2)c1[O-] ZINC000546416795 341167363 /nfs/dbraw/zinc/16/73/63/341167363.db2.gz BZGWGFCJNICEQC-QGZVFWFLSA-N -1 3 322.364 3.667 20 0 DHADHM Cc1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)c([O-])c1 ZINC000547176204 341199806 /nfs/dbraw/zinc/19/98/06/341199806.db2.gz WXLBSKSVPMBAGZ-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000134107674 341206514 /nfs/dbraw/zinc/20/65/14/341206514.db2.gz GDYDIZOMXMQSDN-SECBINFHSA-N -1 3 310.275 3.548 20 0 DHADHM Cc1ccc2nc(-c3ccc(Br)cc3)[n-]c(=O)c2c1 ZINC000077257364 341221727 /nfs/dbraw/zinc/22/17/27/341221727.db2.gz MPXQOPSNAZKGHZ-UHFFFAOYSA-N -1 3 315.170 3.661 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000077612547 341227326 /nfs/dbraw/zinc/22/73/26/341227326.db2.gz SYZWGEGKRISERE-VHSXEESVSA-N -1 3 305.736 3.927 20 0 DHADHM COc1cc(C)ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000547721770 341228795 /nfs/dbraw/zinc/22/87/95/341228795.db2.gz SMSFTKIKDIIVCR-CYBMUJFWSA-N -1 3 311.381 3.863 20 0 DHADHM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C1CC1 ZINC000547812347 341234048 /nfs/dbraw/zinc/23/40/48/341234048.db2.gz WWAVFXCXKZGMAU-UHFFFAOYSA-N -1 3 323.318 3.999 20 0 DHADHM COc1cccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1[O-] ZINC000078242959 341238841 /nfs/dbraw/zinc/23/88/41/341238841.db2.gz JCMPFHIPBXLSED-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1[O-] ZINC000078270975 341239315 /nfs/dbraw/zinc/23/93/15/341239315.db2.gz JKPIWEXEMQZMGF-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM Cc1ccccc1[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136053598 341251686 /nfs/dbraw/zinc/25/16/86/341251686.db2.gz GQXXELJMRUFJMZ-LBPRGKRZSA-N -1 3 303.789 3.774 20 0 DHADHM Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136053571 341251698 /nfs/dbraw/zinc/25/16/98/341251698.db2.gz GQXXELJMRUFJMZ-GFCCVEGCSA-N -1 3 303.789 3.774 20 0 DHADHM C[C@H](CCc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136068026 341252343 /nfs/dbraw/zinc/25/23/43/341252343.db2.gz DMKCWCLNIZMNNO-CYBMUJFWSA-N -1 3 317.816 3.726 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cccs1 ZINC000136194872 341254731 /nfs/dbraw/zinc/25/47/31/341254731.db2.gz AHBUJOBBKHPFPT-CYBMUJFWSA-N -1 3 309.818 3.917 20 0 DHADHM CC[C@H]1[C@@H](C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548490058 341263834 /nfs/dbraw/zinc/26/38/34/341263834.db2.gz QZXBEPVXTFEILG-AAEUAGOBSA-N -1 3 311.385 3.702 20 0 DHADHM O=C([N-]c1cc(F)ccc1F)c1occc1Br ZINC000080938009 341276978 /nfs/dbraw/zinc/27/69/78/341276978.db2.gz NXDTYHLVJGRTIX-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)c([O-])c1 ZINC000548855905 341278231 /nfs/dbraw/zinc/27/82/31/341278231.db2.gz QWPRKJGEWOGXGD-UHFFFAOYSA-N -1 3 311.381 3.877 20 0 DHADHM O=C(CC[C@@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458287 341291636 /nfs/dbraw/zinc/29/16/36/341291636.db2.gz HCXITSTXOKKTNC-NSHDSACASA-N -1 3 317.307 3.699 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cscn1 ZINC000081459825 341291825 /nfs/dbraw/zinc/29/18/25/341291825.db2.gz CHPIBWGUWSUOBX-UHFFFAOYSA-N -1 3 310.378 3.692 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000549754550 341302216 /nfs/dbraw/zinc/30/22/16/341302216.db2.gz BGVPMLIXLJLBTF-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000549754550 341302217 /nfs/dbraw/zinc/30/22/17/341302217.db2.gz BGVPMLIXLJLBTF-UHFFFAOYSA-N -1 3 311.307 3.829 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cccc(F)c1F ZINC000081737499 341303833 /nfs/dbraw/zinc/30/38/33/341303833.db2.gz XGBIPEPEMXARMA-UHFFFAOYSA-N -1 3 300.264 3.872 20 0 DHADHM CSCc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000552069128 341367186 /nfs/dbraw/zinc/36/71/86/341367186.db2.gz CQXUHSJKFDOHHX-UHFFFAOYSA-N -1 3 315.394 3.710 20 0 DHADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552287020 341384242 /nfs/dbraw/zinc/38/42/42/341384242.db2.gz FLUPYGGXCHCOIV-INIZCTEOSA-N -1 3 319.401 3.661 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1[O-] ZINC000552286697 341384339 /nfs/dbraw/zinc/38/43/39/341384339.db2.gz VYHHFXLHRYIXAJ-LLVKDONJSA-N -1 3 315.344 3.866 20 0 DHADHM CCC[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)CCO1 ZINC000248723717 341385276 /nfs/dbraw/zinc/38/52/76/341385276.db2.gz MPCYNERDFZNKEJ-QLFBSQMISA-N -1 3 317.429 3.828 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc2cc(F)ccc2[nH]1 ZINC000552432668 341393437 /nfs/dbraw/zinc/39/34/37/341393437.db2.gz WIQJSABRUVQKRI-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc3ccccc32)o1 ZINC000552953070 341410238 /nfs/dbraw/zinc/41/02/38/341410238.db2.gz XESWADGNIHVZFY-CYBMUJFWSA-N -1 3 315.394 3.781 20 0 DHADHM CC(C)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000090371283 341414860 /nfs/dbraw/zinc/41/48/60/341414860.db2.gz ZQOMQGMFCLUJFT-UHFFFAOYSA-N -1 3 311.307 3.524 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cccc([O-])c1 ZINC000565265956 341521793 /nfs/dbraw/zinc/52/17/93/341521793.db2.gz OZEJWQPXIBGHQY-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM COc1ccc2nc(-c3ccc(C(C)(F)F)cc3)[n-]c(=O)c2c1 ZINC000566366313 341555765 /nfs/dbraw/zinc/55/57/65/341555765.db2.gz WMYLGSMNNNYLCE-UHFFFAOYSA-N -1 3 316.307 3.710 20 0 DHADHM [O-]c1ccc(Br)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000154703824 341595001 /nfs/dbraw/zinc/59/50/01/341595001.db2.gz UQQQRBDQBDJLSJ-UHFFFAOYSA-N -1 3 324.565 3.746 20 0 DHADHM O=C(c1cccc(-n2cccc2)c1)N1CCCc2cccc([O-])c21 ZINC000155571561 341609584 /nfs/dbraw/zinc/60/95/84/341609584.db2.gz GSKWBPOWFXDUSI-UHFFFAOYSA-N -1 3 318.376 3.776 20 0 DHADHM CCOc1ccc(OCC)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000272434300 341628199 /nfs/dbraw/zinc/62/81/99/341628199.db2.gz LUTDCCJHLNQJIW-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C ZINC000574633391 341764421 /nfs/dbraw/zinc/76/44/21/341764421.db2.gz QJCJGZMXMLDLIF-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM [O-]c1cccnc1CSc1ncc(-c2ccc(F)cc2)o1 ZINC000576300871 341839363 /nfs/dbraw/zinc/83/93/63/341839363.db2.gz NTSRPARRFJLURU-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000577140029 341889892 /nfs/dbraw/zinc/88/98/92/341889892.db2.gz OQDIXEZGMUDKDJ-ABAIWWIYSA-N -1 3 317.335 3.519 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1sccc1F ZINC000578029085 341975263 /nfs/dbraw/zinc/97/52/63/341975263.db2.gz QPIHDZDEOMIDEF-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@]3(C)C(C)C)nc2)n1 ZINC000413428492 517845150 /nfs/dbraw/zinc/84/51/50/517845150.db2.gz BPTOCKXAEOWEKJ-RDTXWAMCSA-N -1 3 312.417 3.653 20 0 DHADHM COc1ccc(/C=C(\C)c2cnccn2)c(Br)c1[O-] ZINC000358207973 518143227 /nfs/dbraw/zinc/14/32/27/518143227.db2.gz DUKPCFVDVOOKIF-VQHVLOKHSA-N -1 3 321.174 3.514 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000571128644 518200841 /nfs/dbraw/zinc/20/08/41/518200841.db2.gz ILFXOAZRFXYEHK-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM CC(C(=O)NCc1ccc([O-])c(Br)c1)=C1CCCC1 ZINC000156557335 518503376 /nfs/dbraw/zinc/50/33/76/518503376.db2.gz LQLVOVVLVFRJSM-UHFFFAOYSA-N -1 3 324.218 3.661 20 0 DHADHM CC(C)c1ncc(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000182716851 519873565 /nfs/dbraw/zinc/87/35/65/519873565.db2.gz VNFLEWISVMFBCO-UHFFFAOYSA-N -1 3 319.434 3.616 20 0 DHADHM CCCCCc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189456770 520326246 /nfs/dbraw/zinc/32/62/46/520326246.db2.gz AGHOSCABNVZPIC-OAHLLOKOSA-N -1 3 306.406 3.509 20 0 DHADHM CCCOc1ccc(NC(=O)[N-]OCCC(F)(F)F)c(C)c1 ZINC000156775992 520394332 /nfs/dbraw/zinc/39/43/32/520394332.db2.gz UCRATTMOJORYLR-UHFFFAOYSA-N -1 3 320.311 3.789 20 0 DHADHM CCCc1nc(C(=O)[N-]c2nc(-c3ccccc3F)co2)co1 ZINC000337993990 521479606 /nfs/dbraw/zinc/47/96/06/521479606.db2.gz KALQRXVRCWHYLY-UHFFFAOYSA-N -1 3 315.304 3.674 20 0 DHADHM CCCn1ccc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc21 ZINC000156082430 521658440 /nfs/dbraw/zinc/65/84/40/521658440.db2.gz CZRHSEQLAUMPBG-MRXNPFEDSA-N -1 3 317.389 3.631 20 0 DHADHM CCCn1ccc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc21 ZINC000156082430 521658444 /nfs/dbraw/zinc/65/84/44/521658444.db2.gz CZRHSEQLAUMPBG-MRXNPFEDSA-N -1 3 317.389 3.631 20 0 DHADHM CCC1(CC)CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000188614077 521685894 /nfs/dbraw/zinc/68/58/94/521685894.db2.gz FIWMXKQGHCEADE-UHFFFAOYSA-N -1 3 312.413 3.571 20 0 DHADHM CN(C)Cc1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000339333529 521906395 /nfs/dbraw/zinc/90/63/95/521906395.db2.gz XNVPCCDAXMOUFU-UHFFFAOYSA-N -1 3 322.811 3.536 20 0 DHADHM CC[C@@H](C)Oc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156861609 522267035 /nfs/dbraw/zinc/26/70/35/522267035.db2.gz MDLFGHWDPOJBEH-SNVBAGLBSA-N -1 3 320.311 3.869 20 0 DHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265701071 522332119 /nfs/dbraw/zinc/33/21/19/522332119.db2.gz QSBPUCSLIUPSGG-DYVFJYSZSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1ccc(OCCCC(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000337112518 525408021 /nfs/dbraw/zinc/40/80/21/525408021.db2.gz OWDXQJKWTSGTES-UHFFFAOYSA-N -1 3 320.776 3.547 20 0 DHADHM Cc1ccc(Oc2ccc(NC(=O)[N-]OCC(C)C)cn2)cc1 ZINC000159027849 525474437 /nfs/dbraw/zinc/47/44/37/525474437.db2.gz CCZQUVIYOWFVQH-UHFFFAOYSA-N -1 3 315.373 3.891 20 0 DHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])oc2c1C(=O)CCC2 ZINC000339152874 525653196 /nfs/dbraw/zinc/65/31/96/525653196.db2.gz GEWAXFQTYFKLGS-UHFFFAOYSA-N -1 3 319.744 3.718 20 0 DHADHM Cc1c(C(=O)[N-]c2cccc(Cl)c2SC(C)C)nnn1C ZINC000265986818 525660036 /nfs/dbraw/zinc/66/00/36/525660036.db2.gz KWEYBTCQGGEYIW-UHFFFAOYSA-N -1 3 324.837 3.530 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C4CCC4)c3)[n-]2)o1 ZINC000337061815 525790461 /nfs/dbraw/zinc/79/04/61/525790461.db2.gz SHVPLQUAOJLIHC-UHFFFAOYSA-N -1 3 322.368 3.893 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C4CCC4)c3)n2)o1 ZINC000337061815 525790468 /nfs/dbraw/zinc/79/04/68/525790468.db2.gz SHVPLQUAOJLIHC-UHFFFAOYSA-N -1 3 322.368 3.893 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(C4CCC4)c3)n[n-]2)o1 ZINC000337061815 525790480 /nfs/dbraw/zinc/79/04/80/525790480.db2.gz SHVPLQUAOJLIHC-UHFFFAOYSA-N -1 3 322.368 3.893 20 0 DHADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182905862 525897245 /nfs/dbraw/zinc/89/72/45/525897245.db2.gz ZZATYGFGSSUXEC-UONOGXRCSA-N -1 3 313.422 3.845 20 0 DHADHM C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825193 526028941 /nfs/dbraw/zinc/02/89/41/526028941.db2.gz QFMRNHZEJQVFCI-XPTSAGLGSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1ccc2c(CN3CC=C(C(F)(F)F)CC3)ccc([O-])c2n1 ZINC000338282067 526127215 /nfs/dbraw/zinc/12/72/15/526127215.db2.gz NGZAWRPAIPFXGW-UHFFFAOYSA-N -1 3 322.330 3.943 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000161625962 526177061 /nfs/dbraw/zinc/17/70/61/526177061.db2.gz OOCQRADEWCCHEV-LBPRGKRZSA-N -1 3 320.439 3.969 20 0 DHADHM Cc1ccc2cccc(NC(=O)c3cc(C(F)(F)F)n[n-]3)c2n1 ZINC000339273970 526238915 /nfs/dbraw/zinc/23/89/15/526238915.db2.gz JCSRFELEKNEGCS-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc2cccc(NC(=O)c3cc(C(F)(F)F)[n-]n3)c2n1 ZINC000339273970 526238917 /nfs/dbraw/zinc/23/89/17/526238917.db2.gz JCSRFELEKNEGCS-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2)c2ccccn2)c1 ZINC000364849668 526335157 /nfs/dbraw/zinc/33/51/57/526335157.db2.gz NEDQDFHMMCCAMK-LJQANCHMSA-N -1 3 308.356 3.806 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1ccsc1 ZINC000364267374 526397714 /nfs/dbraw/zinc/39/77/14/526397714.db2.gz YZHCJSZSKXETLY-HNNXBMFYSA-N -1 3 317.410 3.662 20 0 DHADHM O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155666330 526563057 /nfs/dbraw/zinc/56/30/57/526563057.db2.gz OVBZDAJHVNASRC-CVEARBPZSA-N -1 3 311.356 3.614 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1ccncc1 ZINC000366330884 526625188 /nfs/dbraw/zinc/62/51/88/526625188.db2.gz UCEOCPHNCBYDGJ-GOSISDBHSA-N -1 3 318.376 3.918 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267697144 526703767 /nfs/dbraw/zinc/70/37/67/526703767.db2.gz FPSOZURKSMEENL-MRXNPFEDSA-N -1 3 315.344 3.604 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000162844251 526845301 /nfs/dbraw/zinc/84/53/01/526845301.db2.gz YBHDCMHTYSBOFH-HUUCEWRRSA-N -1 3 323.314 3.944 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000162843970 526845746 /nfs/dbraw/zinc/84/57/46/526845746.db2.gz YBHDCMHTYSBOFH-GJZGRUSLSA-N -1 3 323.314 3.944 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@H]1c1ccccc1 ZINC000366309400 526906583 /nfs/dbraw/zinc/90/65/83/526906583.db2.gz BIPIPOIWXMRNII-AWEZNQCLSA-N -1 3 302.399 3.606 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1ccoc1Br ZINC000193302222 527093077 /nfs/dbraw/zinc/09/30/77/527093077.db2.gz ARPPRTJPIPBCSN-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM O=C(NC1CCCCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000188801644 527519215 /nfs/dbraw/zinc/51/92/15/527519215.db2.gz SDMJMRAXTQKLOV-UHFFFAOYSA-N -1 3 301.308 3.864 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])ccc1Br)CC(C)C ZINC000675073955 563910851 /nfs/dbraw/zinc/91/08/51/563910851.db2.gz VYQGKCGUPKTNCL-UHFFFAOYSA-N -1 3 314.223 3.625 20 0 DHADHM Clc1ccccc1Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737582490 598935303 /nfs/dbraw/zinc/93/53/03/598935303.db2.gz BBEYVQGIFWBLEB-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM Clc1ccccc1Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737582490 598935304 /nfs/dbraw/zinc/93/53/04/598935304.db2.gz BBEYVQGIFWBLEB-UHFFFAOYSA-N -1 3 324.196 3.720 20 0 DHADHM c1ccc([C@H](CC2CC2)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823773573 599054172 /nfs/dbraw/zinc/05/41/72/599054172.db2.gz WEMOTDNTSBZIAA-KRWDZBQOSA-N -1 3 305.385 3.820 20 0 DHADHM O=C([O-])[C@@H](NCCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000833165648 601977076 /nfs/dbraw/zinc/97/70/76/601977076.db2.gz CKIYHCSMTXBARU-VIFPVBQESA-N -1 3 316.106 3.661 20 0 DHADHM Cc1cc(C)cc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737249807 599169442 /nfs/dbraw/zinc/16/94/42/599169442.db2.gz DIPDNISKMPIESS-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1cc(C)cc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737249807 599169444 /nfs/dbraw/zinc/16/94/44/599169444.db2.gz DIPDNISKMPIESS-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737178981 599233474 /nfs/dbraw/zinc/23/34/74/599233474.db2.gz GRJAWXKRLYTFBI-KOLCDFICSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737178981 599233475 /nfs/dbraw/zinc/23/34/75/599233475.db2.gz GRJAWXKRLYTFBI-KOLCDFICSA-N -1 3 323.853 3.606 20 0 DHADHM CCCCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077502 607307742 /nfs/dbraw/zinc/30/77/42/607307742.db2.gz IPRVXILEDZESQC-UHFFFAOYSA-N -1 3 313.430 3.883 20 0 DHADHM CCCCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077502 607307743 /nfs/dbraw/zinc/30/77/43/607307743.db2.gz IPRVXILEDZESQC-UHFFFAOYSA-N -1 3 313.430 3.883 20 0 DHADHM C[C@H](Sc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189665 599284768 /nfs/dbraw/zinc/28/47/68/599284768.db2.gz BGYCHQZWIYEPDX-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189665 599284774 /nfs/dbraw/zinc/28/47/74/599284774.db2.gz BGYCHQZWIYEPDX-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000821516821 598151669 /nfs/dbraw/zinc/15/16/69/598151669.db2.gz ZDQYJDVZXKOENF-NSHDSACASA-N -1 3 322.455 3.558 20 0 DHADHM CCc1nc(C)c([C@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000820492307 598192758 /nfs/dbraw/zinc/19/27/58/598192758.db2.gz DXQSSVLDPHRDII-JTQLQIEISA-N -1 3 304.415 3.563 20 0 DHADHM Cc1cccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737389632 598240609 /nfs/dbraw/zinc/24/06/09/598240609.db2.gz LUUVYJCNWRZZFO-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1cccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737389632 598240612 /nfs/dbraw/zinc/24/06/12/598240612.db2.gz LUUVYJCNWRZZFO-OAHLLOKOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737319590 598240705 /nfs/dbraw/zinc/24/07/05/598240705.db2.gz FRSZKJLXPZHOKO-SECBINFHSA-N -1 3 303.366 3.549 20 0 DHADHM C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)c1ccccc1F ZINC000736193767 598242260 /nfs/dbraw/zinc/24/22/60/598242260.db2.gz SVDPRZYDFILALS-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cccc2ccccc21 ZINC000737645017 598243716 /nfs/dbraw/zinc/24/37/16/598243716.db2.gz NUNLHSYBTSGJOW-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Cc1cc(C)cc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737253299 598426332 /nfs/dbraw/zinc/42/63/32/598426332.db2.gz QEHMZUSYTBJSDY-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cc(C)cc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737253299 598426334 /nfs/dbraw/zinc/42/63/34/598426334.db2.gz QEHMZUSYTBJSDY-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H](C)CC(C)C)s1 ZINC000736679057 598494739 /nfs/dbraw/zinc/49/47/39/598494739.db2.gz JSRADCXPITZYFL-JTQLQIEISA-N -1 3 321.450 3.501 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H](C)CC(C)C)s1 ZINC000736679057 598494740 /nfs/dbraw/zinc/49/47/40/598494740.db2.gz JSRADCXPITZYFL-JTQLQIEISA-N -1 3 321.450 3.501 20 0 DHADHM c1ccc(-c2nnn[n-]2)c(CSc2ccnc3ccccc32)c1 ZINC000738421907 598504904 /nfs/dbraw/zinc/50/49/04/598504904.db2.gz HQYJUEMKUUQHBW-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc(-c2nn[n-]n2)c(CSc2ccnc3ccccc32)c1 ZINC000738421907 598504905 /nfs/dbraw/zinc/50/49/05/598504905.db2.gz HQYJUEMKUUQHBW-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2c(c1)nccc2SCc1cccc(-c2nnn[n-]2)c1 ZINC000738412162 598504925 /nfs/dbraw/zinc/50/49/25/598504925.db2.gz BFIHAGUTDALXKJ-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2c(c1)nccc2SCc1cccc(-c2nn[n-]n2)c1 ZINC000738412162 598504926 /nfs/dbraw/zinc/50/49/26/598504926.db2.gz BFIHAGUTDALXKJ-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM Fc1ccc(CSc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000737651616 598644695 /nfs/dbraw/zinc/64/46/95/598644695.db2.gz YFKUQTQCNYLZNP-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(CSc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000737651616 598644697 /nfs/dbraw/zinc/64/46/97/598644697.db2.gz YFKUQTQCNYLZNP-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000737657046 598644732 /nfs/dbraw/zinc/64/47/32/598644732.db2.gz SVBMLDQOQAMVKV-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737657046 598644734 /nfs/dbraw/zinc/64/47/34/598644734.db2.gz SVBMLDQOQAMVKV-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Cc1cc(Cl)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737264435 598674666 /nfs/dbraw/zinc/67/46/66/598674666.db2.gz PXWMBYDRFLDBPJ-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1cc(Cl)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737264435 598674668 /nfs/dbraw/zinc/67/46/68/598674668.db2.gz PXWMBYDRFLDBPJ-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc([C@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737322574 598815329 /nfs/dbraw/zinc/81/53/29/598815329.db2.gz ZLESGGZXPMNRPK-LBPRGKRZSA-N -1 3 311.364 3.512 20 0 DHADHM Cc1ccc([C@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737322574 598815331 /nfs/dbraw/zinc/81/53/31/598815331.db2.gz ZLESGGZXPMNRPK-LBPRGKRZSA-N -1 3 311.364 3.512 20 0 DHADHM Clc1ccc(CNc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822573780 599370236 /nfs/dbraw/zinc/37/02/36/599370236.db2.gz IJZQAHJVJCSSDY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822573780 599370238 /nfs/dbraw/zinc/37/02/38/599370238.db2.gz IJZQAHJVJCSSDY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737182250 599441417 /nfs/dbraw/zinc/44/14/17/599441417.db2.gz YJHGPFHBSQZRDC-MNOVXSKESA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737182250 599441420 /nfs/dbraw/zinc/44/14/20/599441420.db2.gz YJHGPFHBSQZRDC-MNOVXSKESA-N -1 3 323.853 3.606 20 0 DHADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1cccs1 ZINC000820451029 599464833 /nfs/dbraw/zinc/46/48/33/599464833.db2.gz RCNJTNNACSDLHV-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1cccs1 ZINC000820451029 599464834 /nfs/dbraw/zinc/46/48/34/599464834.db2.gz RCNJTNNACSDLHV-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM CCCCCC[C@@H](C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000821050871 599624043 /nfs/dbraw/zinc/62/40/43/599624043.db2.gz UZAYLVYANQOHLE-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCCC[C@@H](C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000821050871 599624044 /nfs/dbraw/zinc/62/40/44/599624044.db2.gz UZAYLVYANQOHLE-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000736661978 599709579 /nfs/dbraw/zinc/70/95/79/599709579.db2.gz KIVUUAIZSCPNPB-ZUZCIYMTSA-N -1 3 307.752 3.956 20 0 DHADHM CN(Cc1ccccc1OC(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737494160 600209639 /nfs/dbraw/zinc/20/96/39/600209639.db2.gz MCWANIJJJUWFMH-HNNXBMFYSA-N -1 3 321.323 3.546 20 0 DHADHM CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736999536 600424496 /nfs/dbraw/zinc/42/44/96/600424496.db2.gz FZRCGXRRNOQLHE-SFHVURJKSA-N -1 3 313.397 3.781 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000739506356 600429612 /nfs/dbraw/zinc/42/96/12/600429612.db2.gz FQSBLQGSVPAYEV-GDBMZVCRSA-N -1 3 317.385 3.778 20 0 DHADHM CC[C@@H](NCc1ccc(OC)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736920426 600452728 /nfs/dbraw/zinc/45/27/28/600452728.db2.gz OCKQBPZGHQMIQS-MRXNPFEDSA-N -1 3 317.360 3.773 20 0 DHADHM CCc1ccc(-c2nc(CN[C@@](C)(CC)C(=O)[O-])cs2)cc1 ZINC000737256142 600561556 /nfs/dbraw/zinc/56/15/56/600561556.db2.gz PLKJEMWCULEOMI-KRWDZBQOSA-N -1 3 318.442 3.715 20 0 DHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2occc2C(=O)[O-])C1 ZINC000516975505 600836006 /nfs/dbraw/zinc/83/60/06/600836006.db2.gz AHEDWINBIBMECW-NHYWBVRUSA-N -1 3 303.333 3.700 20 0 DHADHM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826630736 601628590 /nfs/dbraw/zinc/62/85/90/601628590.db2.gz PVPJPFFWUTVXBO-UHFFFAOYSA-N -1 3 305.324 3.688 20 0 DHADHM Cn1cccc1[C@@H]1CCCCN1Cc1ccsc1C(=O)[O-] ZINC000833059213 601838871 /nfs/dbraw/zinc/83/88/71/601838871.db2.gz LLGMDOOYXLUJDY-AWEZNQCLSA-N -1 3 304.415 3.512 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000827740675 601850256 /nfs/dbraw/zinc/85/02/56/601850256.db2.gz ALLZBXBJSOQQNM-NSHDSACASA-N -1 3 321.323 3.837 20 0 DHADHM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000277189828 601870297 /nfs/dbraw/zinc/87/02/97/601870297.db2.gz FTEZNBFXKWDNOA-AWEZNQCLSA-N -1 3 318.442 3.707 20 0 DHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779503 601913278 /nfs/dbraw/zinc/91/32/78/601913278.db2.gz ILOBMJPSTDECFL-LKFCYVNXSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000833315429 601940370 /nfs/dbraw/zinc/94/03/70/601940370.db2.gz UYGQIENVYYDPPT-UHFFFAOYSA-N -1 3 317.385 3.875 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000833313518 601942201 /nfs/dbraw/zinc/94/22/01/601942201.db2.gz YBUQYZPVSMZQAU-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM COc1c(C)cc(CN(C)Cc2ccc(C(=O)[O-])s2)cc1C ZINC000831848029 601948153 /nfs/dbraw/zinc/94/81/53/601948153.db2.gz XVQADMYVKDNYFR-UHFFFAOYSA-N -1 3 319.426 3.704 20 0 DHADHM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CCC2)s1 ZINC000833314704 601949150 /nfs/dbraw/zinc/94/91/50/601949150.db2.gz QJWIMCWWHLQAQL-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM O=C([O-])NC[C@@H]1CCN(Cc2sc3ccccc3c2Cl)C1 ZINC000740647010 601951410 /nfs/dbraw/zinc/95/14/10/601951410.db2.gz VVQNWBKUUAZDFU-JTQLQIEISA-N -1 3 324.833 3.644 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000739025467 602444665 /nfs/dbraw/zinc/44/46/65/602444665.db2.gz KBSHREUVQSDVKJ-NEPJUHHUSA-N -1 3 310.825 3.769 20 0 DHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000825503394 603529460 /nfs/dbraw/zinc/52/94/60/603529460.db2.gz SIYYMHCOAMEQPV-JTQLQIEISA-N -1 3 305.765 3.676 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(NC(=O)[O-])nc2)C2CC2)cc1 ZINC000830262347 603535821 /nfs/dbraw/zinc/53/58/21/603535821.db2.gz ODNKVVKTBANEIU-QGZVFWFLSA-N -1 3 311.385 3.721 20 0 DHADHM C[C@@]1(NCc2ccc(NC(=O)[O-])nc2)CCCc2ccccc21 ZINC000825754851 603554793 /nfs/dbraw/zinc/55/47/93/603554793.db2.gz FHHZADYWPFYZPA-GOSISDBHSA-N -1 3 311.385 3.513 20 0 DHADHM c1sc(-c2ccccc2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826519389 607645915 /nfs/dbraw/zinc/64/59/15/607645915.db2.gz WMLVXMARBKKSNX-UHFFFAOYSA-N -1 3 305.366 3.657 20 0 DHADHM c1sc(-c2ccccc2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826519389 607645917 /nfs/dbraw/zinc/64/59/17/607645917.db2.gz WMLVXMARBKKSNX-UHFFFAOYSA-N -1 3 305.366 3.657 20 0 DHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000827718605 604292601 /nfs/dbraw/zinc/29/26/01/604292601.db2.gz WTBGYVPCZKCSNI-KOLCDFICSA-N -1 3 317.216 3.786 20 0 DHADHM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000263443409 604529368 /nfs/dbraw/zinc/52/93/68/604529368.db2.gz XCZHWVJQZZZNDP-AWEZNQCLSA-N -1 3 305.374 3.603 20 0 DHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498338 604951830 /nfs/dbraw/zinc/95/18/30/604951830.db2.gz FFLGHNGRDGPRCW-OLZOCXBDSA-N -1 3 322.449 3.856 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc2ccccc2c1 ZINC000827717725 604985445 /nfs/dbraw/zinc/98/54/45/604985445.db2.gz LHZSIIGGCKIGGO-FZKQIMNGSA-N -1 3 306.365 3.711 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccccc2CC(=O)[O-])s1 ZINC000833755021 605068264 /nfs/dbraw/zinc/06/82/64/605068264.db2.gz VPAYVJXKOCDULK-LBPRGKRZSA-N -1 3 318.442 3.580 20 0 DHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000825503351 605118855 /nfs/dbraw/zinc/11/88/55/605118855.db2.gz RGJNGEIKQYHGIZ-NWDGAFQWSA-N -1 3 304.415 3.928 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000833413621 605177792 /nfs/dbraw/zinc/17/77/92/605177792.db2.gz IWVIDZUAKINEOT-HNNXBMFYSA-N -1 3 318.804 3.677 20 0 DHADHM CC1(C)C[C@H](NCc2ccc(NC(=O)[O-])nc2)c2ccccc21 ZINC000825706550 605186163 /nfs/dbraw/zinc/18/61/63/605186163.db2.gz IFSGMDSVCFBOPC-HNNXBMFYSA-N -1 3 311.385 3.684 20 0 DHADHM CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC000565543878 605203765 /nfs/dbraw/zinc/20/37/65/605203765.db2.gz OGWFHBBUNAHCCJ-UHFFFAOYSA-N -1 3 314.385 3.804 20 0 DHADHM c1cc2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2s1 ZINC000826516864 607754206 /nfs/dbraw/zinc/75/42/06/607754206.db2.gz FNZRVDFIMPFIGA-UHFFFAOYSA-N -1 3 313.411 3.755 20 0 DHADHM c1cc2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2s1 ZINC000826516864 607754207 /nfs/dbraw/zinc/75/42/07/607754207.db2.gz FNZRVDFIMPFIGA-UHFFFAOYSA-N -1 3 313.411 3.755 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1 ZINC000834262335 605574131 /nfs/dbraw/zinc/57/41/31/605574131.db2.gz KGOACEUPGXNHEX-INIZCTEOSA-N -1 3 300.333 3.693 20 0 DHADHM CC(C)(C)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819959137 606410313 /nfs/dbraw/zinc/41/03/13/606410313.db2.gz ZMGPKCUSPYYXCR-UHFFFAOYSA-N -1 3 313.430 3.838 20 0 DHADHM Cc1ccc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000822229597 606734132 /nfs/dbraw/zinc/73/41/32/606734132.db2.gz XVRFHWQSPGVZHC-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000822229597 606734134 /nfs/dbraw/zinc/73/41/34/606734134.db2.gz XVRFHWQSPGVZHC-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000820557339 607011484 /nfs/dbraw/zinc/01/14/84/607011484.db2.gz YOFWYSXQCYLCFU-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000820557339 607011486 /nfs/dbraw/zinc/01/14/86/607011486.db2.gz YOFWYSXQCYLCFU-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM Cc1ncc(CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826330122 607845804 /nfs/dbraw/zinc/84/58/04/607845804.db2.gz GPHCBQDGAONGNW-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1ncc(CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826330122 607845805 /nfs/dbraw/zinc/84/58/05/607845805.db2.gz GPHCBQDGAONGNW-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM CCSc1ccccc1OCc1ccccc1-c1nnn[n-]1 ZINC000825675163 607866974 /nfs/dbraw/zinc/86/69/74/607866974.db2.gz YMPYFTZJWILPSW-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCSc1ccccc1OCc1ccccc1-c1nn[n-]n1 ZINC000825675163 607866975 /nfs/dbraw/zinc/86/69/75/607866975.db2.gz YMPYFTZJWILPSW-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM C(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000823861805 607883213 /nfs/dbraw/zinc/88/32/13/607883213.db2.gz RAZKTPNEOSTHCU-MDZDMXLPSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000823861805 607883214 /nfs/dbraw/zinc/88/32/14/607883214.db2.gz RAZKTPNEOSTHCU-MDZDMXLPSA-N -1 3 305.366 3.647 20 0 DHADHM Clc1ccc2oc(C=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826352868 607883780 /nfs/dbraw/zinc/88/37/80/607883780.db2.gz QTWRTQWUBJUVHM-YVMONPNESA-N -1 3 323.743 3.832 20 0 DHADHM Clc1ccc2oc(C=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826352868 607883781 /nfs/dbraw/zinc/88/37/81/607883781.db2.gz QTWRTQWUBJUVHM-YVMONPNESA-N -1 3 323.743 3.832 20 0 DHADHM Clc1c2ccccc2sc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826349996 607890386 /nfs/dbraw/zinc/89/03/86/607890386.db2.gz CVEGXBFLAZPFMZ-UHFFFAOYSA-N -1 3 315.789 3.585 20 0 DHADHM Clc1c2ccccc2sc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826349996 607890387 /nfs/dbraw/zinc/89/03/87/607890387.db2.gz CVEGXBFLAZPFMZ-UHFFFAOYSA-N -1 3 315.789 3.585 20 0 DHADHM CCSc1ccccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000825674031 608153609 /nfs/dbraw/zinc/15/36/09/608153609.db2.gz FYWGFNKMSVKTBW-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCSc1ccccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000825674031 608153610 /nfs/dbraw/zinc/15/36/10/608153610.db2.gz FYWGFNKMSVKTBW-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM Cc1cnc([C@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317970 608154194 /nfs/dbraw/zinc/15/41/94/608154194.db2.gz RBHMBENRQNFWFW-QWRGUYRKSA-N -1 3 315.402 3.719 20 0 DHADHM Cc1cnc([C@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317970 608154195 /nfs/dbraw/zinc/15/41/95/608154195.db2.gz RBHMBENRQNFWFW-QWRGUYRKSA-N -1 3 315.402 3.719 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824229132 608182963 /nfs/dbraw/zinc/18/29/63/608182963.db2.gz OEWLNIRERYKIRA-GFCCVEGCSA-N -1 3 316.405 3.543 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824229132 608182966 /nfs/dbraw/zinc/18/29/66/608182966.db2.gz OEWLNIRERYKIRA-GFCCVEGCSA-N -1 3 316.405 3.543 20 0 DHADHM Cc1cnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826318741 608219082 /nfs/dbraw/zinc/21/90/82/608219082.db2.gz XFHOXHCMLXRLLT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1cnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826318741 608219084 /nfs/dbraw/zinc/21/90/84/608219084.db2.gz XFHOXHCMLXRLLT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000824662258 608226434 /nfs/dbraw/zinc/22/64/34/608226434.db2.gz GVUFPZLQBZDWPH-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000824662258 608226435 /nfs/dbraw/zinc/22/64/35/608226435.db2.gz GVUFPZLQBZDWPH-LBPRGKRZSA-N -1 3 316.368 3.588 20 0 DHADHM Fc1ccc(F)c(SCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826375512 608396633 /nfs/dbraw/zinc/39/66/33/608396633.db2.gz QJZLTLYUVQJDCU-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(F)c(SCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826375512 608396635 /nfs/dbraw/zinc/39/66/35/608396635.db2.gz QJZLTLYUVQJDCU-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1cccc(CSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826377226 608404861 /nfs/dbraw/zinc/40/48/61/608404861.db2.gz JRNJXZZRWUKPER-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(CSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826377226 608404862 /nfs/dbraw/zinc/40/48/62/608404862.db2.gz JRNJXZZRWUKPER-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826291597 608479196 /nfs/dbraw/zinc/47/91/96/608479196.db2.gz NDMUAYSPTLEVAS-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000826291597 608479197 /nfs/dbraw/zinc/47/91/97/608479197.db2.gz NDMUAYSPTLEVAS-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CCCc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825348397 609157927 /nfs/dbraw/zinc/15/79/27/609157927.db2.gz ISSGRWOJGUGYKU-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825348397 609157928 /nfs/dbraw/zinc/15/79/28/609157928.db2.gz ISSGRWOJGUGYKU-CYBMUJFWSA-N -1 3 307.401 3.992 20 0 DHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)cc(C)c1 ZINC000825480637 609177503 /nfs/dbraw/zinc/17/75/03/609177503.db2.gz DTSVQDLAAWDPGI-UHFFFAOYSA-N -1 3 322.416 3.527 20 0 DHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825342205 609237253 /nfs/dbraw/zinc/23/72/53/609237253.db2.gz RCTKXKACSSHEEG-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825342205 609237254 /nfs/dbraw/zinc/23/72/54/609237254.db2.gz RCTKXKACSSHEEG-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC000826270724 609251813 /nfs/dbraw/zinc/25/18/13/609251813.db2.gz MFNUPHGKUPUFPB-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826270724 609251815 /nfs/dbraw/zinc/25/18/15/609251815.db2.gz MFNUPHGKUPUFPB-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824649858 609273234 /nfs/dbraw/zinc/27/32/34/609273234.db2.gz NNYBUBXYDKVBHQ-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824649858 609273235 /nfs/dbraw/zinc/27/32/35/609273235.db2.gz NNYBUBXYDKVBHQ-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CSc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000826231583 609310425 /nfs/dbraw/zinc/31/04/25/609310425.db2.gz QOOHFMAEUZUOGN-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM CSc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000826231583 609310427 /nfs/dbraw/zinc/31/04/27/609310427.db2.gz QOOHFMAEUZUOGN-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM Cc1c(NCc2coc3ccccc23)cccc1-c1nnn[n-]1 ZINC000826242730 609487094 /nfs/dbraw/zinc/48/70/94/609487094.db2.gz CIUZLEMAVUWRLV-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1c(NCc2coc3ccccc23)cccc1-c1nn[n-]n1 ZINC000826242730 609487096 /nfs/dbraw/zinc/48/70/96/609487096.db2.gz CIUZLEMAVUWRLV-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM C[C@@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]1C ZINC001165051572 721997601 /nfs/dbraw/zinc/99/76/01/721997601.db2.gz HVHNLRQDRKOSGB-HTQZYQBOSA-N -1 3 307.797 3.588 20 0 DHADHM CSc1ccc(C)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000826230199 947674505 /nfs/dbraw/zinc/67/45/05/947674505.db2.gz ITAYSVKXHPLEAL-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1ccc(C)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000826230199 947674509 /nfs/dbraw/zinc/67/45/09/947674509.db2.gz ITAYSVKXHPLEAL-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CC(=O)[C@@H](Sc1ccc(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573365541 947731775 /nfs/dbraw/zinc/73/17/75/947731775.db2.gz MLKPGZFEUGELID-MRXNPFEDSA-N -1 3 324.409 3.598 20 0 DHADHM CC(=O)[C@@H](Sc1ccc(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573365541 947731785 /nfs/dbraw/zinc/73/17/85/947731785.db2.gz MLKPGZFEUGELID-MRXNPFEDSA-N -1 3 324.409 3.598 20 0 DHADHM Cc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826326562 947953235 /nfs/dbraw/zinc/95/32/35/947953235.db2.gz VHVBICCXUHKIQT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM Cc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826326562 947953239 /nfs/dbraw/zinc/95/32/39/947953239.db2.gz VHVBICCXUHKIQT-UHFFFAOYSA-N -1 3 323.834 3.577 20 0 DHADHM CCn1ncc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)n1 ZINC000293174065 1013081610 /nfs/dbraw/zinc/08/16/10/1013081610.db2.gz UPBGFEYNESBDPB-UHFFFAOYSA-N -1 3 324.837 3.704 20 0 DHADHM CC[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cn1 ZINC001589568415 948887916 /nfs/dbraw/zinc/88/79/16/948887916.db2.gz LUBGBSZDOFEZGW-YQQAZPJKSA-N -1 3 314.360 3.575 20 0 DHADHM C[C@@]1(c2ccccc2)CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575858010 949284375 /nfs/dbraw/zinc/28/43/75/949284375.db2.gz YDFCLZRKZRKWSB-PKOBYXMFSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@@]1(c2ccccc2)CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575858010 949284396 /nfs/dbraw/zinc/28/43/96/949284396.db2.gz YDFCLZRKZRKWSB-PKOBYXMFSA-N -1 3 319.412 3.789 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001576217342 950758093 /nfs/dbraw/zinc/75/80/93/950758093.db2.gz NCBFPNPOAFRHTG-PIGZYNQJSA-N -1 3 323.375 3.741 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001576217342 950758111 /nfs/dbraw/zinc/75/81/11/950758111.db2.gz NCBFPNPOAFRHTG-PIGZYNQJSA-N -1 3 323.375 3.741 20 0 DHADHM CC[C@H](CSC)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381743790 971774391 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ZINC000277778069 1017128813 /nfs/dbraw/zinc/12/88/13/1017128813.db2.gz UDUADAIIAVAUHO-UHFFFAOYSA-N -1 3 323.820 3.609 20 0 DHADHM CCO[C@H](CC)c1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000665040632 1014164633 /nfs/dbraw/zinc/16/46/33/1014164633.db2.gz RKZPLHXJJLEOJB-GFCCVEGCSA-N -1 3 318.373 3.643 20 0 DHADHM CCOc1ccc([C@@H]2CCCN2Cc2occc2C(=O)[O-])cc1 ZINC000563892637 974541428 /nfs/dbraw/zinc/54/14/28/974541428.db2.gz SNGOFGIPBYAYNM-INIZCTEOSA-N -1 3 315.369 3.714 20 0 DHADHM C[C@@H]1CC[C@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000564662330 974551456 /nfs/dbraw/zinc/55/14/56/974551456.db2.gz YKRXYUDDTMZESB-NEPJUHHUSA-N -1 3 311.809 3.537 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(CC)CC ZINC000565106453 974571822 /nfs/dbraw/zinc/57/18/22/974571822.db2.gz QDABUYPCQSXTMT-LSDHHAIUSA-N -1 3 323.433 3.702 20 0 DHADHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000566015035 974593543 /nfs/dbraw/zinc/59/35/43/974593543.db2.gz FMEWUGNSNOGSOK-UHFFFAOYSA-N -1 3 324.471 3.804 20 0 DHADHM CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000568281662 974663751 /nfs/dbraw/zinc/66/37/51/974663751.db2.gz WWPDEDFBMCLXNW-LBPRGKRZSA-N -1 3 303.358 3.570 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1F ZINC000189742352 1014212725 /nfs/dbraw/zinc/21/27/25/1014212725.db2.gz NIBSUVXRHBPHOL-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(CC)CC ZINC000575809698 974802084 /nfs/dbraw/zinc/80/20/84/974802084.db2.gz DICPGIAJAXSKLS-HZPDHXFCSA-N -1 3 323.433 3.702 20 0 DHADHM COc1cccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)c1 ZINC000576353125 974813333 /nfs/dbraw/zinc/81/33/33/974813333.db2.gz REKAKGJYSXHSHU-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cnc3ccccc3c2)[C@@H]2CCCC[C@H]12 ZINC000656766335 975698621 /nfs/dbraw/zinc/69/86/21/975698621.db2.gz OOAFWMPFMOMKQG-ZHALLVOQSA-N -1 3 324.424 3.700 20 0 DHADHM CC(C)Oc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC001591797189 976013661 /nfs/dbraw/zinc/01/36/61/976013661.db2.gz YAUNBGJCDJPECU-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM CC(C)c1[nH]c(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1C(=O)[O-] ZINC001591912475 976345588 /nfs/dbraw/zinc/34/55/88/976345588.db2.gz NPOBFDVGSBNHOR-MGPUTAFESA-N -1 3 324.424 3.610 20 0 DHADHM CC(C)c1ccc2c(c1)CN(Cc1ccccc1CC(=O)[O-])CC2 ZINC001591980614 976593999 /nfs/dbraw/zinc/59/39/99/976593999.db2.gz IGMXIAVFSLSFOI-UHFFFAOYSA-N -1 3 323.436 3.995 20 0 DHADHM CC(C)c1cccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001591986801 976609380 /nfs/dbraw/zinc/60/93/80/976609380.db2.gz IMBFPSXJZYDNNF-IBGZPJMESA-N -1 3 312.413 3.685 20 0 DHADHM C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC001592884864 979767099 /nfs/dbraw/zinc/76/70/99/979767099.db2.gz DIZINIXATHWCJP-LBPRGKRZSA-N -1 3 319.351 3.726 20 0 DHADHM CC(F)(F)CCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001592939215 980005647 /nfs/dbraw/zinc/00/56/47/980005647.db2.gz STCPFGGONMSOLX-LLVKDONJSA-N -1 3 309.715 3.630 20 0 DHADHM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000521003535 1014626404 /nfs/dbraw/zinc/62/64/04/1014626404.db2.gz JUQSNHZECWDDFZ-UHFFFAOYSA-N -1 3 321.467 3.967 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2ncsc2C2CC2)s1 ZINC000878087701 1033575587 /nfs/dbraw/zinc/57/55/87/1033575587.db2.gz VBKOLPLVQRGTGE-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM CC[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC001595276349 980299125 /nfs/dbraw/zinc/29/91/25/980299125.db2.gz DRTWDJJKYKUDSM-GJZGRUSLSA-N -1 3 305.399 3.623 20 0 DHADHM O=C([O-])c1ccc2c(c1)CN(CCc1cccc(Cl)c1)CC2 ZINC000901745083 980474406 /nfs/dbraw/zinc/47/44/06/980474406.db2.gz QQTUZCOGNKHNGC-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CCCc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000901789555 980520898 /nfs/dbraw/zinc/52/08/98/980520898.db2.gz MJDMGBDKDCTCTC-CYBMUJFWSA-N -1 3 321.364 3.540 20 0 DHADHM C[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1ncc(C(=O)[O-])s1 ZINC000901908191 980621300 /nfs/dbraw/zinc/62/13/00/980621300.db2.gz QHSNHYPYXXPGOS-XWLWVQCSSA-N -1 3 322.455 3.746 20 0 DHADHM O=C([O-])c1coc(CNC2CC(c3ccc(Cl)cc3)C2)c1 ZINC000901953817 980648794 /nfs/dbraw/zinc/64/87/94/980648794.db2.gz GLNCTUNGNVKBQY-UHFFFAOYSA-N -1 3 305.761 3.667 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902339694 980839214 /nfs/dbraw/zinc/83/92/14/980839214.db2.gz WHWNNGSQUZUBEY-LFHUJZDRSA-N -1 3 311.381 3.791 20 0 DHADHM O=C([O-])c1cc(CN[C@@H]2CCc3ccc(Cl)cc32)cs1 ZINC000902369097 980857673 /nfs/dbraw/zinc/85/76/73/980857673.db2.gz MLHSPQMHDSQHMM-CYBMUJFWSA-N -1 3 307.802 3.877 20 0 DHADHM O=C([O-])c1csc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000902446777 980892144 /nfs/dbraw/zinc/89/21/44/980892144.db2.gz WVQXOMJARJDTFI-OAHLLOKOSA-N -1 3 305.374 3.753 20 0 DHADHM O=C([O-])c1ccc(CN2CCCC23CCC3)c(Br)c1 ZINC000903631253 981008274 /nfs/dbraw/zinc/00/82/74/981008274.db2.gz LONNURVMWLRBBW-UHFFFAOYSA-N -1 3 324.218 3.666 20 0 DHADHM Cc1nc(CN(CCC(=O)[O-])CC(C)C)sc1C(C)(C)C ZINC000903900738 981028406 /nfs/dbraw/zinc/02/84/06/981028406.db2.gz QJWMYVJCGGKRAW-UHFFFAOYSA-N -1 3 312.479 3.682 20 0 DHADHM CC[C@@H](CC(=O)OCc1noc(-c2ccccc2[O-])n1)C(C)C ZINC000783505251 1014703930 /nfs/dbraw/zinc/70/39/30/1014703930.db2.gz YPNFLSJPMASHAT-LBPRGKRZSA-N -1 3 318.373 3.558 20 0 DHADHM Cc1ccc(C)c(C2CCN(Cc3cccc(C(=O)[O-])n3)CC2)c1 ZINC000905811839 981163162 /nfs/dbraw/zinc/16/31/62/981163162.db2.gz ZSURBZFSLNDPER-UHFFFAOYSA-N -1 3 324.424 3.776 20 0 DHADHM CC[C@@H]1Cc2ccccc2CN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595499876 981267994 /nfs/dbraw/zinc/26/79/94/981267994.db2.gz QMJGKICPWMWTNC-ZNFPLGDCSA-N -1 3 311.381 3.714 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(CCc3ccccc3)CC2)o1 ZINC000581375057 1014748510 /nfs/dbraw/zinc/74/85/10/1014748510.db2.gz MMXRSLFULNRMDV-UHFFFAOYSA-N -1 3 313.397 3.823 20 0 DHADHM CC[C@@](C)(NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001594852593 982096280 /nfs/dbraw/zinc/09/62/80/982096280.db2.gz OBNYYYITEBDXBP-OAHLLOKOSA-N -1 3 324.833 3.806 20 0 DHADHM CCCCc1nc(CN[C@@H](C(=O)[O-])C2CCCCC2)cs1 ZINC001595797935 982608902 /nfs/dbraw/zinc/60/89/02/982608902.db2.gz ZAZJXVWUUUQCEV-OAHLLOKOSA-N -1 3 310.463 3.609 20 0 DHADHM [O-]c1cccc(CNC2(C(F)F)CCCC2)c1Br ZINC000656626503 1014969610 /nfs/dbraw/zinc/96/96/10/1014969610.db2.gz DLYGKCDUMFBIPU-UHFFFAOYSA-N -1 3 320.177 3.822 20 0 DHADHM CCN(Cc1occc1C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001596380534 983902044 /nfs/dbraw/zinc/90/20/44/983902044.db2.gz MXZOJWVAKDJOGD-UHFFFAOYSA-N -1 3 324.380 3.857 20 0 DHADHM O=C([O-])[C@@H](CNCc1c(Cl)cccc1Cl)C1CCC1 ZINC000665362854 1015055381 /nfs/dbraw/zinc/05/53/81/1015055381.db2.gz NICSILRCZXKJKQ-JTQLQIEISA-N -1 3 302.201 3.584 20 0 DHADHM O=c1cc(O[C@@H](c2ccccc2)C(Cl)(Cl)Cl)nc[n-]1 ZINC001226944882 1015059335 /nfs/dbraw/zinc/05/93/35/1015059335.db2.gz KXHRBYJIOOMASP-NSHDSACASA-N -1 3 319.575 3.673 20 0 DHADHM CC(C)(C(=O)NCc1ncccc1[O-])c1ccc2ccccc2c1 ZINC000684350303 1015092034 /nfs/dbraw/zinc/09/20/34/1015092034.db2.gz KDDNEGHGHVBGQR-UHFFFAOYSA-N -1 3 320.392 3.534 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCC[C@@H](CCF)C1 ZINC000656783248 1015148295 /nfs/dbraw/zinc/14/82/95/1015148295.db2.gz JNKUNZIWHVMOFU-LBPRGKRZSA-N -1 3 302.349 3.509 20 0 DHADHM CCOc1cccc(Cl)c1CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC001597155281 986948045 /nfs/dbraw/zinc/94/80/45/986948045.db2.gz LXTYIQXASOLBES-UHFFFAOYSA-N -1 3 323.820 3.710 20 0 DHADHM CCOc1ccccc1[C@@H](CC)N[C@H](C(=O)[O-])c1ccccc1 ZINC001597173280 987015611 /nfs/dbraw/zinc/01/56/11/987015611.db2.gz SHGVPHRTAVRPPN-AEFFLSMTSA-N -1 3 313.397 3.952 20 0 DHADHM CCc1[nH]c(CN[C@@H]2CCCc3c(F)cccc32)cc1C(=O)[O-] ZINC001597390939 987619010 /nfs/dbraw/zinc/61/90/10/987619010.db2.gz IJMMGTCLLJAAIU-QGZVFWFLSA-N -1 3 316.376 3.582 20 0 DHADHM CCc1ccccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597609235 988492990 /nfs/dbraw/zinc/49/29/90/988492990.db2.gz LRWLAUYDVFGUBC-UHFFFAOYSA-N -1 3 303.789 3.890 20 0 DHADHM C[C@@H](C1CCCCC1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001599833519 988709178 /nfs/dbraw/zinc/70/91/78/988709178.db2.gz NUMPIUADYZRBBQ-LBPRGKRZSA-N -1 3 315.417 3.662 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCSC(CC)(CC)C1 ZINC001597766294 989210009 /nfs/dbraw/zinc/21/00/09/989210009.db2.gz JJCQVNQUHWWZAW-UHFFFAOYSA-N -1 3 311.447 3.648 20 0 DHADHM CC(C)[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1Cl ZINC001591030740 991335140 /nfs/dbraw/zinc/33/51/40/991335140.db2.gz OHVHAQGSZVAEIF-MRXNPFEDSA-N -1 3 320.820 3.864 20 0 DHADHM CC(C)[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1Cl ZINC001591030739 991335625 /nfs/dbraw/zinc/33/56/25/991335625.db2.gz OHVHAQGSZVAEIF-INIZCTEOSA-N -1 3 320.820 3.864 20 0 DHADHM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCS1 ZINC001591093304 991655954 /nfs/dbraw/zinc/65/59/54/991655954.db2.gz OUVGKKZZPWSQHJ-UONOGXRCSA-N -1 3 313.850 3.539 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc([O-])c1F ZINC000535659726 1015707924 /nfs/dbraw/zinc/70/79/24/1015707924.db2.gz UHIZHFZSJVEASL-ZOWXZIJZSA-N -1 3 309.381 3.844 20 0 DHADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341734418 1015712097 /nfs/dbraw/zinc/71/20/97/1015712097.db2.gz GHEPGWCHKHIVDL-MRXNPFEDSA-N -1 3 318.804 3.752 20 0 DHADHM CCOC(=O)CCc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000349609371 1015721151 /nfs/dbraw/zinc/72/11/51/1015721151.db2.gz JKUCJODXRASSOO-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM CCOC1(C)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000293930341 1015726332 /nfs/dbraw/zinc/72/63/32/1015726332.db2.gz HHYDXJAQXVIMJH-UHFFFAOYSA-N -1 3 313.397 3.577 20 0 DHADHM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598537460 992857224 /nfs/dbraw/zinc/85/72/24/992857224.db2.gz ZWAWCFUDVLKQLN-HIFRSBDPSA-N -1 3 316.426 3.609 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]1Cc1ccccc1 ZINC000341819260 1015751886 /nfs/dbraw/zinc/75/18/86/1015751886.db2.gz QVBLMMRWBAKRCI-ZDUSSCGKSA-N -1 3 301.773 3.503 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1 ZINC000535795308 1015828838 /nfs/dbraw/zinc/82/88/38/1015828838.db2.gz SBTRMNUIIXSTBI-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@@H]1C[C@H]1c1ccccc1 ZINC001593195318 994146179 /nfs/dbraw/zinc/14/61/79/994146179.db2.gz DELNWAZDKMMULD-XWUBHJNHSA-N -1 3 316.426 3.684 20 0 DHADHM COc1cccc([C@H](N[C@@H]2CCCc3sccc32)C(=O)[O-])c1 ZINC001599659409 994632622 /nfs/dbraw/zinc/63/26/22/994632622.db2.gz XYCJELHCJBYGHR-ZBFHGGJFSA-N -1 3 317.410 3.550 20 0 DHADHM C[C@](NCc1ccc(Cl)s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298089 994710167 /nfs/dbraw/zinc/71/01/67/994710167.db2.gz DNMPMGVSBOVSLG-CQSZACIVSA-N -1 3 313.781 3.630 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c([O-])c1 ZINC000458254049 1015887163 /nfs/dbraw/zinc/88/71/63/1015887163.db2.gz UTPPBCDCVZPGRT-ZDUSSCGKSA-N -1 3 301.361 3.543 20 0 DHADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593305625 994766841 /nfs/dbraw/zinc/76/68/41/994766841.db2.gz YSIVTHZMGVATIY-NSHDSACASA-N -1 3 321.779 3.957 20 0 DHADHM C[C@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC001593359515 995017486 /nfs/dbraw/zinc/01/74/86/995017486.db2.gz HEXDVEKBAFDNJT-GAFUQQFSSA-N -1 3 320.389 3.577 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582011412 1016003905 /nfs/dbraw/zinc/00/39/05/1016003905.db2.gz BKHXEECACSIJFP-UHFFFAOYSA-N -1 3 319.449 3.882 20 0 DHADHM C[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593710735 996210679 /nfs/dbraw/zinc/21/06/79/996210679.db2.gz OTLVXWVMDKZOPG-CQSZACIVSA-N -1 3 312.413 3.716 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2C)cc1F ZINC001599512286 997318236 /nfs/dbraw/zinc/31/82/36/997318236.db2.gz ZJRIXVMFTRIHNS-PXAZEXFGSA-N -1 3 317.360 3.619 20 0 DHADHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000277262571 1016118323 /nfs/dbraw/zinc/11/83/23/1016118323.db2.gz KUFYGGOHJZURRR-KRWDZBQOSA-N -1 3 317.360 3.528 20 0 DHADHM COc1ccc([C@@H](NCc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC001599530819 997647754 /nfs/dbraw/zinc/64/77/54/997647754.db2.gz GSCFWSHOVQQHAH-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM Cc1c(F)ccc(Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000476386883 1032141116 /nfs/dbraw/zinc/14/11/16/1032141116.db2.gz GXARWRWHNSNNNV-UHFFFAOYSA-N -1 3 311.715 3.562 20 0 DHADHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc([O-])c(F)c1 ZINC000892156758 1016315861 /nfs/dbraw/zinc/31/58/61/1016315861.db2.gz NCWMSYATFSGTBM-UHFFFAOYSA-N -1 3 320.311 3.639 20 0 DHADHM CCC[C@@H](C)CCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269158 1016341112 /nfs/dbraw/zinc/34/11/12/1016341112.db2.gz DUMDCWHTGGMDCL-ZIAGYGMSSA-N -1 3 307.438 3.544 20 0 DHADHM CC(C)C[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622405127 1016392718 /nfs/dbraw/zinc/39/27/18/1016392718.db2.gz HGBAACGCRJOUPQ-LLVKDONJSA-N -1 3 315.335 3.919 20 0 DHADHM COc1ccc(F)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000622425782 1016403739 /nfs/dbraw/zinc/40/37/39/1016403739.db2.gz MSUUOEULVNNCBW-UHFFFAOYSA-N -1 3 315.344 3.671 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000622449733 1016420890 /nfs/dbraw/zinc/42/08/90/1016420890.db2.gz ZKXCYJJZRYCYCU-ZDUSSCGKSA-N -1 3 313.397 3.582 20 0 DHADHM COC1CCC(CCNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000622509006 1016440371 /nfs/dbraw/zinc/44/03/71/1016440371.db2.gz PKLULBYNWIWKKP-UHFFFAOYSA-N -1 3 319.445 3.841 20 0 DHADHM CCc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000622544847 1016456681 /nfs/dbraw/zinc/45/66/81/1016456681.db2.gz VVNICTGBIKDXFQ-GFCCVEGCSA-N -1 3 303.324 3.661 20 0 DHADHM Cc1ccc2[nH]c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC000346586947 1016458031 /nfs/dbraw/zinc/45/80/31/1016458031.db2.gz IJXDEGPKBICAKH-SNVBAGLBSA-N -1 3 300.387 3.529 20 0 DHADHM Cc1ccc2nc(S[C@H](C)c3nc(C)cc(=O)[n-]3)[nH]c2c1 ZINC000346586947 1016458036 /nfs/dbraw/zinc/45/80/36/1016458036.db2.gz IJXDEGPKBICAKH-SNVBAGLBSA-N -1 3 300.387 3.529 20 0 DHADHM CC(C)OCC(C)(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000840539805 1016485700 /nfs/dbraw/zinc/48/57/00/1016485700.db2.gz CTVNZNQHSWGIFC-UHFFFAOYSA-N -1 3 307.415 3.540 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1[O-] ZINC000622750390 1016566055 /nfs/dbraw/zinc/56/60/55/1016566055.db2.gz GUFAMVYEJXJASK-MRXNPFEDSA-N -1 3 301.430 3.997 20 0 DHADHM Nc1c(Cl)ccc(C(=O)Nc2cc(F)ccc2[O-])c1Cl ZINC000346828431 1016592340 /nfs/dbraw/zinc/59/23/40/1016592340.db2.gz NSXRJIAEXIJKCF-UHFFFAOYSA-N -1 3 315.131 3.673 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc1[O-] ZINC000665579799 1016917929 /nfs/dbraw/zinc/91/79/29/1016917929.db2.gz UAFXJPMMOWGAOC-QGZVFWFLSA-N -1 3 315.413 3.636 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C)o1 ZINC000176438851 1016964085 /nfs/dbraw/zinc/96/40/85/1016964085.db2.gz SLTGIWCPJFKVOV-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM Cc1ccc([C@@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F)o1 ZINC000654215416 1016964802 /nfs/dbraw/zinc/96/48/02/1016964802.db2.gz KFOHYTOXWRARAV-HTRCEHHLSA-N -1 3 303.202 3.506 20 0 DHADHM CC1(C)C[C@H](Oc2c([O-])cc(Br)cc2F)CCO1 ZINC001227588822 1017048740 /nfs/dbraw/zinc/04/87/40/1017048740.db2.gz VPUVDBBVMYKMKA-SECBINFHSA-N -1 3 319.170 3.630 20 0 DHADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCC[C@H]21 ZINC000294882128 1032191842 /nfs/dbraw/zinc/19/18/42/1032191842.db2.gz UMWUQOVEBIVCPW-CZUORRHYSA-N -1 3 310.397 3.591 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)nc(C)n1 ZINC000362180369 1032262454 /nfs/dbraw/zinc/26/24/54/1032262454.db2.gz IGEHIUXEGXCWII-UHFFFAOYSA-N -1 3 305.378 3.597 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC001147869173 1032350122 /nfs/dbraw/zinc/35/01/22/1032350122.db2.gz UGOLOAWNTPQSHQ-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM COc1cccc(C(=O)Nc2cc3scnc3c(C)c2)c1[O-] ZINC001148201717 1032375209 /nfs/dbraw/zinc/37/52/09/1032375209.db2.gz FOJHFWIHATZKDY-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c([O-])c1 ZINC001148201496 1032375352 /nfs/dbraw/zinc/37/53/52/1032375352.db2.gz IIJBPUUWYBUBRV-OAHLLOKOSA-N -1 3 319.307 3.739 20 0 DHADHM Cc1ccc(C(=O)Nc2cc3cccc(F)c3nc2C)c([O-])c1 ZINC001148492479 1032409937 /nfs/dbraw/zinc/40/99/37/1032409937.db2.gz LPVDLNQTWPHDPU-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179636607 1017276154 /nfs/dbraw/zinc/27/61/54/1017276154.db2.gz LSMYNQDNEDJAFI-APPDUMDISA-N -1 3 319.788 3.539 20 0 DHADHM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179636592 1017276895 /nfs/dbraw/zinc/27/68/95/1017276895.db2.gz LSMYNQDNEDJAFI-DIFFPNOSSA-N -1 3 319.788 3.539 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c([O-])c1 ZINC000121092191 1032419114 /nfs/dbraw/zinc/41/91/14/1032419114.db2.gz VHWWOYFMKMDTJY-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM CCc1ccc(C(C)(C)CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001148792805 1032440289 /nfs/dbraw/zinc/44/02/89/1032440289.db2.gz GAOWFHXLAQSIBJ-UHFFFAOYSA-N -1 3 311.425 3.971 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)c([O-])c1 ZINC001148832792 1032444210 /nfs/dbraw/zinc/44/42/10/1032444210.db2.gz XACJCLWWRANRGP-UHFFFAOYSA-N -1 3 302.349 3.912 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC001148913545 1032452991 /nfs/dbraw/zinc/45/29/91/1032452991.db2.gz XCPZGVCBQYKBQU-UHFFFAOYSA-N -1 3 319.773 3.850 20 0 DHADHM CC(C)CCN(C)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000049516190 1011960802 /nfs/dbraw/zinc/96/08/02/1011960802.db2.gz AHOJHKJSCFBRFV-UHFFFAOYSA-N -1 3 310.492 3.528 20 0 DHADHM Cc1ccc([C@@H](C)N(C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000097106395 1032611122 /nfs/dbraw/zinc/61/11/22/1032611122.db2.gz VADRBRVTEHLIKL-CQSZACIVSA-N -1 3 320.392 3.670 20 0 DHADHM C[C@@H](CCC(=O)[O-])CNCc1c(Cl)cccc1OC(F)F ZINC000683172424 1012243942 /nfs/dbraw/zinc/24/39/42/1012243942.db2.gz ZNUIYXOFNSVKCO-VIFPVBQESA-N -1 3 321.751 3.532 20 0 DHADHM CC[C@H](C)Cc1c(C)sc2[n-]c(-c3cccnn3)nc(=O)c12 ZINC000887315823 1032621426 /nfs/dbraw/zinc/62/14/26/1032621426.db2.gz CEYIQBCWBVUMFF-VIFPVBQESA-N -1 3 314.414 3.751 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000514941417 1012514111 /nfs/dbraw/zinc/51/41/11/1012514111.db2.gz QOPKWDVFRTZDMY-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000514995869 1012529122 /nfs/dbraw/zinc/52/91/22/1012529122.db2.gz KDLAKXPLVOUYTL-UHFFFAOYSA-N -1 3 310.357 3.615 20 0 DHADHM CCSCc1ccnc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436685183 1012763869 /nfs/dbraw/zinc/76/38/69/1012763869.db2.gz ATWZKIIYJYDNSK-UHFFFAOYSA-N -1 3 302.399 3.601 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873009 1012852282 /nfs/dbraw/zinc/85/22/82/1012852282.db2.gz YJLXMLMKZOUOAY-GXTWGEPZSA-N -1 3 315.417 3.517 20 0 DHADHM COCC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCCCC1 ZINC001625822058 1012880490 /nfs/dbraw/zinc/88/04/90/1012880490.db2.gz YCFBIUFJUMMWJE-UHFFFAOYSA-N -1 3 319.445 3.842 20 0 DHADHM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000517031534 1012893643 /nfs/dbraw/zinc/89/36/43/1012893643.db2.gz IBSQXTQZJIFJOX-BBRMVZONSA-N -1 3 319.401 3.519 20 0 DHADHM CCCOCc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000060090493 1013003294 /nfs/dbraw/zinc/00/32/94/1013003294.db2.gz CEHZRGBZALIHGD-UHFFFAOYSA-N -1 3 314.410 3.887 20 0 DHADHM CCCC1(CCC)CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000874627491 1032682928 /nfs/dbraw/zinc/68/29/28/1032682928.db2.gz VHTSLRSNTYNFPX-UHFFFAOYSA-N -1 3 317.433 3.635 20 0 DHADHM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458029 1017253627 /nfs/dbraw/zinc/25/36/27/1017253627.db2.gz OFWRPPFRJRCBBM-APPDUMDISA-N -1 3 319.788 3.539 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c([O-])c1 ZINC000076970542 1017446304 /nfs/dbraw/zinc/44/63/04/1017446304.db2.gz MCXUOTKWTMGWAC-QGZVFWFLSA-N -1 3 324.424 3.842 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1[O-] ZINC000665867723 1017525489 /nfs/dbraw/zinc/52/54/89/1017525489.db2.gz QLAVJWXEGOTCAW-MRXNPFEDSA-N -1 3 315.394 3.537 20 0 DHADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000624081867 1017675803 /nfs/dbraw/zinc/67/58/03/1017675803.db2.gz HSBUOEMGHQXYTA-CQSZACIVSA-N -1 3 313.397 3.933 20 0 DHADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000523408781 1017677070 /nfs/dbraw/zinc/67/70/70/1017677070.db2.gz OWYBBHRWBVBRML-SNVBAGLBSA-N -1 3 324.302 3.938 20 0 DHADHM CCC(CC)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000125718588 1032717888 /nfs/dbraw/zinc/71/78/88/1032717888.db2.gz XKROSWLNMYXMJE-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)c1F ZINC000181114906 1017723659 /nfs/dbraw/zinc/72/36/59/1017723659.db2.gz RCUYKNNXTDHGGG-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccoc1Br ZINC000445139632 1017768509 /nfs/dbraw/zinc/76/85/09/1017768509.db2.gz WVDUERBGPWJXJH-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM CCC(CC)n1nc(C(=O)Nc2cccc([O-])c2F)cc1C ZINC000182079311 1017857315 /nfs/dbraw/zinc/85/73/15/1017857315.db2.gz FFXRGUORLQPNMF-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM C[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000342944251 1017866638 /nfs/dbraw/zinc/86/66/38/1017866638.db2.gz NLCYXNXGGQKZQS-SNVBAGLBSA-N -1 3 324.302 3.938 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(C(F)(F)F)cc1Cl ZINC000182578513 1017931995 /nfs/dbraw/zinc/93/19/95/1017931995.db2.gz FLEOHYHLIRCAKM-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)[n-]c(=O)c2c1 ZINC000172309731 1018034073 /nfs/dbraw/zinc/03/40/73/1018034073.db2.gz HWZAEOVGJUEUNG-UHFFFAOYSA-N -1 3 304.271 3.917 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000184051418 1018058510 /nfs/dbraw/zinc/05/85/10/1018058510.db2.gz OFASPIQJCXAURE-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM CN(CCc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000381966990 1018291875 /nfs/dbraw/zinc/29/18/75/1018291875.db2.gz VEXITPYIDKATPP-UHFFFAOYSA-N -1 3 303.789 3.713 20 0 DHADHM CC(C)CN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000077441252 1018318072 /nfs/dbraw/zinc/31/80/72/1018318072.db2.gz BBSZKCTTYLPTJA-UHFFFAOYSA-N -1 3 312.335 3.961 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c([O-])c1 ZINC000447064811 1018323764 /nfs/dbraw/zinc/32/37/64/1018323764.db2.gz BCJDWNDXRBXMHX-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM CCSCc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000447550438 1018410362 /nfs/dbraw/zinc/41/03/62/1018410362.db2.gz HVOORQOCIDCWJA-UHFFFAOYSA-N -1 3 319.401 3.714 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3c(F)cccc3F)o2)S1 ZINC000874928858 1032764472 /nfs/dbraw/zinc/76/44/72/1032764472.db2.gz WYJSCGHSKSJFDA-IZZDOVSWSA-N -1 3 307.277 3.549 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccsc2C1 ZINC000350683716 1018494054 /nfs/dbraw/zinc/49/40/54/1018494054.db2.gz GUPUCCAWNLCVLI-UHFFFAOYSA-N -1 3 309.390 3.805 20 0 DHADHM Cc1cc(Nc2cccc([O-])c2Br)ccc1CO ZINC001211591817 1018603929 /nfs/dbraw/zinc/60/39/29/1018603929.db2.gz DAVIPDXTPRTKFB-UHFFFAOYSA-N -1 3 308.175 3.699 20 0 DHADHM O=C([O-])[C@@H]1CCCCCN1Cc1csc(C(F)(F)F)c1 ZINC000705502461 1018664320 /nfs/dbraw/zinc/66/43/20/1018664320.db2.gz UKUOAWSWOWVRKF-JTQLQIEISA-N -1 3 307.337 3.596 20 0 DHADHM Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)o1 ZINC000060486235 1018772203 /nfs/dbraw/zinc/77/22/03/1018772203.db2.gz XGOCBRHJDFBQNG-UHFFFAOYSA-N -1 3 300.383 3.822 20 0 DHADHM CSc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000315943328 1018865096 /nfs/dbraw/zinc/86/50/96/1018865096.db2.gz HQMNKRNCQGTHIA-KRWDZBQOSA-N -1 3 313.422 3.593 20 0 DHADHM CC(C)C[C@](C)(CNCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000900054431 1018876525 /nfs/dbraw/zinc/87/65/25/1018876525.db2.gz VERVXYHKRGZGIX-OAHLLOKOSA-N -1 3 319.779 3.845 20 0 DHADHM CCC[C@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151562847 1018919602 /nfs/dbraw/zinc/91/96/02/1018919602.db2.gz OCOFISAASVHJFJ-JTQLQIEISA-N -1 3 314.223 3.597 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC000102258288 1018935172 /nfs/dbraw/zinc/93/51/72/1018935172.db2.gz MJJSDSMGKYKXNX-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CC(C)Oc1ccccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000315446455 1018942567 /nfs/dbraw/zinc/94/25/67/1018942567.db2.gz MDWLTZXDYSVYLG-CQSZACIVSA-N -1 3 319.426 3.841 20 0 DHADHM CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000315645384 1018944733 /nfs/dbraw/zinc/94/47/33/1018944733.db2.gz ZNLDEXQBIBWMAZ-HNNXBMFYSA-N -1 3 319.426 3.843 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2ccc(-c3ccccc3)o2)s1 ZINC000342285689 1019013927 /nfs/dbraw/zinc/01/39/27/1019013927.db2.gz SCSNQDADPDQHGH-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DHADHM Cc1n[nH]c(C)c1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000151727851 1019030778 /nfs/dbraw/zinc/03/07/78/1019030778.db2.gz LPTGLVFRGXNRKK-UHFFFAOYSA-N -1 3 321.380 3.575 20 0 DHADHM COc1ccc2nc(-c3cccc(C(F)(F)F)c3)[n-]c(=O)c2c1 ZINC000063580882 1019064476 /nfs/dbraw/zinc/06/44/76/1019064476.db2.gz HKYBHACKCSZCHU-UHFFFAOYSA-N -1 3 320.270 3.618 20 0 DHADHM O=C([N-]c1csc(-c2ccccc2)n1)c1ncc(F)cc1F ZINC000672331747 1019158984 /nfs/dbraw/zinc/15/89/84/1019158984.db2.gz OJPXHDQISPPXML-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c([O-])c1 ZINC000031696193 1019227833 /nfs/dbraw/zinc/22/78/33/1019227833.db2.gz JVWKCLIALVMQDC-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1ncccc1[O-] ZINC000672687150 1019344215 /nfs/dbraw/zinc/34/42/15/1019344215.db2.gz SOLSXMYHSOUWAW-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM O=c1[nH]c(C(Cl)=Cc2ccc([O-])c(F)c2)nc2ccccc12 ZINC000755572727 1019355288 /nfs/dbraw/zinc/35/52/88/1019355288.db2.gz PHWFUNVUJNYIFG-YRNVUSSQSA-N -1 3 316.719 3.505 20 0 DHADHM COc1ccc(C(=O)N(C)Cc2cccc3ccccc32)c([O-])c1 ZINC000045186495 1019401573 /nfs/dbraw/zinc/40/15/73/1019401573.db2.gz BZUVZNMOZRMXOG-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1snnc1-c1ccccc1 ZINC001212479585 1019410747 /nfs/dbraw/zinc/41/07/47/1019410747.db2.gz HHCKGOVZWGEUHB-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2cccn2C)c1[O-] ZINC000091992531 1019497376 /nfs/dbraw/zinc/49/73/76/1019497376.db2.gz ARNQZQORKZVWJT-KRWDZBQOSA-N -1 3 312.413 3.661 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2cccs2)[nH]n1 ZINC000140461857 1019642949 /nfs/dbraw/zinc/64/29/49/1019642949.db2.gz QHEPDACUYQUGJS-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c(C)s1 ZINC000165276794 1019654509 /nfs/dbraw/zinc/65/45/09/1019654509.db2.gz NKRONPTWSZPVPL-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000281849505 1019666916 /nfs/dbraw/zinc/66/69/16/1019666916.db2.gz QADNYHGUOYRMEK-LLVKDONJSA-N -1 3 305.324 3.711 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(OC(C)C)cc2C)c1[O-] ZINC000079123174 1019675321 /nfs/dbraw/zinc/67/53/21/1019675321.db2.gz MTLNMVMUGXEFSR-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525926125 1019727019 /nfs/dbraw/zinc/72/70/19/1019727019.db2.gz YGBODTGEMYAREW-CYBMUJFWSA-N -1 3 321.376 3.612 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccc(F)cc21 ZINC000525942595 1019731757 /nfs/dbraw/zinc/73/17/57/1019731757.db2.gz OSGWCAXYKAXMTB-UHFFFAOYSA-N -1 3 307.324 3.887 20 0 DHADHM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000526935443 1019740486 /nfs/dbraw/zinc/74/04/86/1019740486.db2.gz YMAFUOITQBAQSP-ROUUACIJSA-N -1 3 321.351 3.970 20 0 DHADHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477502083 1032850793 /nfs/dbraw/zinc/85/07/93/1032850793.db2.gz WBJNYIXMKSOHPH-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM Cc1cc2c(cc1NC(=O)c1cc([O-])c3ccccc3c1)OCO2 ZINC000527464058 1019752882 /nfs/dbraw/zinc/75/28/82/1019752882.db2.gz XZSXQODFNVFXMW-UHFFFAOYSA-N -1 3 321.332 3.835 20 0 DHADHM Cc1csc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)n1 ZINC000727670155 1019754694 /nfs/dbraw/zinc/75/46/94/1019754694.db2.gz GDASEWYOKQEBGR-SECBINFHSA-N -1 3 314.332 3.560 20 0 DHADHM COc1ccc2oc([C@H](C)NCc3ncccc3[O-])c(C)c2c1 ZINC000685423403 1019810706 /nfs/dbraw/zinc/81/07/06/1019810706.db2.gz SEOSFRXYFCZLSJ-LBPRGKRZSA-N -1 3 312.369 3.701 20 0 DHADHM [O-]c1cccnc1CNC1(c2ccc(F)cc2F)CCCC1 ZINC000685425693 1019811030 /nfs/dbraw/zinc/81/10/30/1019811030.db2.gz BLOBMUUGHCDLLP-UHFFFAOYSA-N -1 3 304.340 3.625 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000727848914 1019826356 /nfs/dbraw/zinc/82/63/56/1019826356.db2.gz ZTNSWGDJFKQQEF-GFCCVEGCSA-N -1 3 304.394 4.000 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cccc(Cl)c1F ZINC001127992258 1019828370 /nfs/dbraw/zinc/82/83/70/1019828370.db2.gz NQQPPYWLYOMCNN-UHFFFAOYSA-N -1 3 320.654 3.629 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC000064040004 1019842356 /nfs/dbraw/zinc/84/23/56/1019842356.db2.gz GBDNMBIHPQWPNC-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM Cc1noc(C)c1C(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000286516119 1019884393 /nfs/dbraw/zinc/88/43/93/1019884393.db2.gz TXPOYCBJXBUSAQ-UHFFFAOYSA-N -1 3 324.380 3.815 20 0 DHADHM O=c1nc(Cl)cc(N2CC3(CCCC3)c3c2cccc3F)[n-]1 ZINC000858379430 1032868973 /nfs/dbraw/zinc/86/89/73/1032868973.db2.gz ZRCBQJNITCYNPY-UHFFFAOYSA-N -1 3 319.767 3.938 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000023361971 1020261417 /nfs/dbraw/zinc/26/14/17/1020261417.db2.gz WUYXROIMOOFJIJ-UHFFFAOYSA-N -1 3 301.824 3.848 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1occc1-c1ccccc1 ZINC000021294074 1020345126 /nfs/dbraw/zinc/34/51/26/1020345126.db2.gz WLESZABLWQUCEU-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001212404679 1020347102 /nfs/dbraw/zinc/34/71/02/1020347102.db2.gz MDSAZBZQCFSFFT-JOYOIKCWSA-N -1 3 319.829 3.582 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCCc2sccc2C1 ZINC000685719871 1020366902 /nfs/dbraw/zinc/36/69/02/1020366902.db2.gz LWGJQVJEAYLSEV-UHFFFAOYSA-N -1 3 307.802 3.696 20 0 DHADHM O=C(/C=C/c1ccc2ccccc2n1)Nc1cc(F)ccc1[O-] ZINC000179650447 1020425837 /nfs/dbraw/zinc/42/58/37/1020425837.db2.gz SPKRHBQXKZJLNM-CSKARUKUSA-N -1 3 308.312 3.731 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@H](c2ccccc2)O1 ZINC000348068247 1020492008 /nfs/dbraw/zinc/49/20/08/1020492008.db2.gz AUHFSNFLTHMAGY-HZPDHXFCSA-N -1 3 317.772 3.904 20 0 DHADHM Cc1csc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c1 ZINC001273298159 1020513263 /nfs/dbraw/zinc/51/32/63/1020513263.db2.gz KOINOHZMULWGGE-UHFFFAOYSA-N -1 3 317.307 3.743 20 0 DHADHM O=C(Cc1ccc2ccccc2c1)[N-]OCc1ccc(F)cc1 ZINC000733895338 1020515613 /nfs/dbraw/zinc/51/56/13/1020515613.db2.gz RYNODGHHJCGATH-UHFFFAOYSA-N -1 3 309.340 3.769 20 0 DHADHM O=C(NCCSc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000018205377 1020541894 /nfs/dbraw/zinc/54/18/94/1020541894.db2.gz GDEMLYUQDUPCDS-UHFFFAOYSA-N -1 3 307.802 3.568 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3s2)c([O-])c1 ZINC000734114012 1020562488 /nfs/dbraw/zinc/56/24/88/1020562488.db2.gz XXLWRVJCCSMWQQ-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2cccc(Cl)c2)CC1 ZINC000132913972 1020582735 /nfs/dbraw/zinc/58/27/35/1020582735.db2.gz MWTRZYGIKLRYEI-UHFFFAOYSA-N -1 3 319.763 3.533 20 0 DHADHM Cc1cccc(CC2CN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000685779573 1020591440 /nfs/dbraw/zinc/59/14/40/1020591440.db2.gz DTBMLBJRVOLJSU-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM C[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000058204726 1020599533 /nfs/dbraw/zinc/59/95/33/1020599533.db2.gz HBUFKKJKEWRSDU-CYBMUJFWSA-N -1 3 308.495 3.753 20 0 DHADHM CCCCN(C(=O)c1cc(=O)[n-]cn1)[C@H](CC)c1ccccc1 ZINC000625629943 1020633638 /nfs/dbraw/zinc/63/36/38/1020633638.db2.gz JWKKFBVYPCQFHM-MRXNPFEDSA-N -1 3 313.401 3.576 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001212825797 1032918741 /nfs/dbraw/zinc/91/87/41/1032918741.db2.gz YFKJOXWHXNDTKW-UHFFFAOYSA-N -1 3 319.792 3.666 20 0 DHADHM O=C([N-]c1nc(C2CC2)no1)c1cc2c(cccc2F)s1 ZINC000734877973 1020670304 /nfs/dbraw/zinc/67/03/04/1020670304.db2.gz CJLQSBJNQSRVBB-UHFFFAOYSA-N -1 3 303.318 3.553 20 0 DHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685820397 1020751246 /nfs/dbraw/zinc/75/12/46/1020751246.db2.gz LORWNSLVIGIDRE-IUCAKERBSA-N -1 3 321.726 3.849 20 0 DHADHM N#CC(=C([O-])C1=CCCC1)c1nc2ccccc2n1C(F)F ZINC000177849448 1020824018 /nfs/dbraw/zinc/82/40/18/1020824018.db2.gz MHFQXMNGWSZVJI-LLVKDONJSA-N -1 3 301.296 3.718 20 0 DHADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211638370 1020824078 /nfs/dbraw/zinc/82/40/78/1020824078.db2.gz BEYSLORXUPIJEX-VHSXEESVSA-N -1 3 322.257 3.708 20 0 DHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nccs1 ZINC000737663593 1020851373 /nfs/dbraw/zinc/85/13/73/1020851373.db2.gz ASKFREBOQFANFQ-LLVKDONJSA-N -1 3 314.332 3.642 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000034775130 1020926694 /nfs/dbraw/zinc/92/66/94/1020926694.db2.gz QXNQGRMZQHLUIS-OAHLLOKOSA-N -1 3 317.772 3.729 20 0 DHADHM CCc1nnc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)o1 ZINC000175806447 1021079677 /nfs/dbraw/zinc/07/96/77/1021079677.db2.gz WHQGQDOPASLMNC-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COc1ccc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1F ZINC001241139383 1021087737 /nfs/dbraw/zinc/08/77/37/1021087737.db2.gz HVCMAVLXSZVTRX-UHFFFAOYSA-N -1 3 322.258 3.738 20 0 DHADHM Cc1nn(-c2ccccc2)c(Cl)c1C=Cc1nccc(=O)[n-]1 ZINC000742220164 1021098498 /nfs/dbraw/zinc/09/84/98/1021098498.db2.gz JSLKNGOVRIGBJD-FPLPWBNLSA-N -1 3 312.760 3.500 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000743296941 1021254942 /nfs/dbraw/zinc/25/49/42/1021254942.db2.gz RKWKOZADKVQAEU-QUCCMNQESA-N -1 3 307.393 3.529 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2cccc([O-])c2F)c1C1CC1 ZINC000128455634 1021257532 /nfs/dbraw/zinc/25/75/32/1021257532.db2.gz LJNFPLRWSHDHEY-SNVBAGLBSA-N -1 3 317.364 3.829 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)c1 ZINC000025365704 1021275257 /nfs/dbraw/zinc/27/52/57/1021275257.db2.gz GLAFMTCKYIWGTD-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccccc1OCCCC(=O)Nc1cccc([O-])c1F ZINC000128762935 1021344733 /nfs/dbraw/zinc/34/47/33/1021344733.db2.gz VXGNAHDRPPJGMK-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM CC[C@@H](C)c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000628431386 1021446382 /nfs/dbraw/zinc/44/63/82/1021446382.db2.gz VHJCCINPEWUEBK-LLVKDONJSA-N -1 3 311.385 3.825 20 0 DHADHM Cc1ccc(OCCCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000129377074 1021474749 /nfs/dbraw/zinc/47/47/49/1021474749.db2.gz ANDRMELJIADZND-UHFFFAOYSA-N -1 3 317.360 3.946 20 0 DHADHM Cc1ccc(OCCCC(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000129612725 1021520748 /nfs/dbraw/zinc/52/07/48/1021520748.db2.gz FYZJULVPXXSHKE-UHFFFAOYSA-N -1 3 317.360 3.946 20 0 DHADHM COC1(CCOC(=O)c2cccc3[n-]c(C(F)F)nc32)CCC1 ZINC000924085486 1021595207 /nfs/dbraw/zinc/59/52/07/1021595207.db2.gz HNKIIAHCKOIVRS-UHFFFAOYSA-N -1 3 324.327 3.617 20 0 DHADHM CC(C)(C)CC(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085492 1021595464 /nfs/dbraw/zinc/59/54/64/1021595464.db2.gz HTANATSSNDOIAX-UHFFFAOYSA-N -1 3 324.327 3.663 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000093917071 1021698925 /nfs/dbraw/zinc/69/89/25/1021698925.db2.gz ZXPLYKWBEKBIAV-CYBMUJFWSA-N -1 3 313.397 3.796 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1F ZINC000919061612 1021709087 /nfs/dbraw/zinc/70/90/87/1021709087.db2.gz BHRWJEPQYZJZLQ-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1F ZINC000919061612 1021709100 /nfs/dbraw/zinc/70/91/00/1021709100.db2.gz BHRWJEPQYZJZLQ-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)CC2CCCCC2)[n-]1 ZINC000619449736 1021766674 /nfs/dbraw/zinc/76/66/74/1021766674.db2.gz SURDOISDNMMYMI-ZDUSSCGKSA-N -1 3 321.421 3.522 20 0 DHADHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)CC2CCCCC2)c[n-]1 ZINC000619449736 1021766688 /nfs/dbraw/zinc/76/66/88/1021766688.db2.gz SURDOISDNMMYMI-ZDUSSCGKSA-N -1 3 321.421 3.522 20 0 DHADHM CN(Cc1sc(=O)[n-]c1Cl)[C@@H](C1CCC1)C(F)(F)F ZINC001237164027 1021767130 /nfs/dbraw/zinc/76/71/30/1021767130.db2.gz GMGLFQHSPHVSPI-QMMMGPOBSA-N -1 3 314.760 3.665 20 0 DHADHM CCC(C)(C)CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000745953939 1021806749 /nfs/dbraw/zinc/80/67/49/1021806749.db2.gz NTBLTZQXTKOODQ-UHFFFAOYSA-N -1 3 314.385 3.889 20 0 DHADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000152991158 1021918548 /nfs/dbraw/zinc/91/85/48/1021918548.db2.gz KJTSLPYGBUBSGY-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000556954413 1021968910 /nfs/dbraw/zinc/96/89/10/1021968910.db2.gz MYNXVXHQFXKMPH-MWLCHTKSSA-N -1 3 310.191 3.696 20 0 DHADHM CCOC(=O)c1ccc(N)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214561238 1022046130 /nfs/dbraw/zinc/04/61/30/1022046130.db2.gz BIJYGDLRQZXVAX-UHFFFAOYSA-N -1 3 324.739 3.687 20 0 DHADHM CCC(CC)CCCN(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000620198374 1022080644 /nfs/dbraw/zinc/08/06/44/1022080644.db2.gz DZJGFIDUKVJAMQ-UHFFFAOYSA-N -1 3 323.433 3.698 20 0 DHADHM C[C@@H]1CCCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001267743757 1022183119 /nfs/dbraw/zinc/18/31/19/1022183119.db2.gz VRXFSKQKSHGJSO-SKDRFNHKSA-N -1 3 303.299 3.717 20 0 DHADHM O=C([N-][C@@H]1CCCc2occc21)C(F)(F)c1ccc(F)cc1 ZINC000920853631 1022184421 /nfs/dbraw/zinc/18/44/21/1022184421.db2.gz QRSYBHINNIRNGH-CYBMUJFWSA-N -1 3 309.287 3.704 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2OCc2ccccn2)n1 ZINC000339116347 1022186744 /nfs/dbraw/zinc/18/67/44/1022186744.db2.gz LLXMETYBWXNFSV-MDZDMXLPSA-N -1 3 319.364 3.635 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SCCOC(F)F)s1 ZINC000853012494 1022198926 /nfs/dbraw/zinc/19/89/26/1022198926.db2.gz BGSKYMKNSOJTQV-UHFFFAOYSA-N -1 3 321.349 3.752 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921378901 1022256049 /nfs/dbraw/zinc/25/60/49/1022256049.db2.gz LLKRWORUELKHGH-OFQRWUPVSA-N -1 3 305.393 3.549 20 0 DHADHM Cc1cnn(Cc2cccnc2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212587923 1022339570 /nfs/dbraw/zinc/33/95/70/1022339570.db2.gz AIGKGJDUQHNLTM-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM Cc1cnc(Nc2ccc(Cl)c([O-])c2)c(Br)n1 ZINC001212588368 1022347594 /nfs/dbraw/zinc/34/75/94/1022347594.db2.gz MVKIOPOMTIYWNQ-UHFFFAOYSA-N -1 3 314.570 3.650 20 0 DHADHM Cn1nc(Nc2ccc(Cl)c([O-])c2)c2ccc(Cl)nc21 ZINC001212588624 1022348325 /nfs/dbraw/zinc/34/83/25/1022348325.db2.gz VYLGTSKKKAFLSJ-UHFFFAOYSA-N -1 3 309.156 3.724 20 0 DHADHM Cc1cnc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)s1 ZINC000651399693 1022408010 /nfs/dbraw/zinc/40/80/10/1022408010.db2.gz RMPMGNNLLRLXFJ-UHFFFAOYSA-N -1 3 301.371 3.998 20 0 DHADHM Cc1ncc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1Cl ZINC000155723528 1022418173 /nfs/dbraw/zinc/41/81/73/1022418173.db2.gz QTNZXOGZPXSTQT-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM Cc1cnn(Cc2ccccn2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590533 1022423173 /nfs/dbraw/zinc/42/31/73/1022423173.db2.gz QPQSFPNGEGCXOG-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM O=C([N-]c1ncsc1C1CC1)c1occc1Br ZINC000893270804 1022445535 /nfs/dbraw/zinc/44/55/35/1022445535.db2.gz FVCGLDNYRKKRRU-UHFFFAOYSA-N -1 3 313.176 3.628 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(Br)cc1F ZINC000854446238 1022473972 /nfs/dbraw/zinc/47/39/72/1022473972.db2.gz HOMNKZKPPHFNAX-SSDOTTSWSA-N -1 3 324.140 3.811 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)ccc1N1CCOCC1 ZINC001212592202 1022482002 /nfs/dbraw/zinc/48/20/02/1022482002.db2.gz DAYMRQLVACOSDE-UHFFFAOYSA-N -1 3 318.804 3.934 20 0 DHADHM COc1cc(OC)c(Nc2ccc(Cl)c([O-])c2)c(OC)c1 ZINC001212593268 1022486160 /nfs/dbraw/zinc/48/61/60/1022486160.db2.gz IJULVYYCLXBMBV-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CCN1Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2C1=O ZINC001212593492 1022487545 /nfs/dbraw/zinc/48/75/45/1022487545.db2.gz UKKFZIPBXBFSJC-UHFFFAOYSA-N -1 3 302.761 3.765 20 0 DHADHM COC(=O)c1c(F)ccc(Nc2ccc(Cl)c([O-])c2)c1F ZINC001212593422 1022489158 /nfs/dbraw/zinc/48/91/58/1022489158.db2.gz PVYFEVHRHPSMNZ-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)cc(OC)c1 ZINC001212594237 1022523458 /nfs/dbraw/zinc/52/34/58/1022523458.db2.gz VKSBJGBJNSEJHG-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cccnc1CNc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001169732754 1022528756 /nfs/dbraw/zinc/52/87/56/1022528756.db2.gz KPDGZSQQNLIGIG-UHFFFAOYSA-N -1 3 304.218 3.696 20 0 DHADHM CC1(C)NC(=O)c2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212595149 1022551506 /nfs/dbraw/zinc/55/15/06/1022551506.db2.gz JUBCVQJNWNLAJT-UHFFFAOYSA-N -1 3 302.761 3.768 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1 ZINC000616383025 1022703785 /nfs/dbraw/zinc/70/37/85/1022703785.db2.gz XUGHJEHPBGLWOW-UHFFFAOYSA-N -1 3 323.458 3.532 20 0 DHADHM CCCC[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000584768908 1022722523 /nfs/dbraw/zinc/72/25/23/1022722523.db2.gz KQRSPTQCKROELB-VIFPVBQESA-N -1 3 300.196 3.920 20 0 DHADHM CC[C@@H](C)[C@@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000780390891 1022726920 /nfs/dbraw/zinc/72/69/20/1022726920.db2.gz JVDIVLJTXGIKBK-DGCLKSJQSA-N -1 3 314.385 3.745 20 0 DHADHM Cc1nc(C(=O)[N-]c2ccccc2SC(F)(F)F)co1 ZINC000188342355 1022762349 /nfs/dbraw/zinc/76/23/49/1022762349.db2.gz RSOUJPLBVHOWCG-UHFFFAOYSA-N -1 3 302.277 3.847 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N(CC1CC1)CC1CC1 ZINC000856243418 1022777119 /nfs/dbraw/zinc/77/71/19/1022777119.db2.gz ZGPOUXIIBKWNHQ-UHFFFAOYSA-N -1 3 301.411 3.869 20 0 DHADHM COc1cc(C)ccc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000417560135 1022777890 /nfs/dbraw/zinc/77/78/90/1022777890.db2.gz JQYWLDCBBZIOIX-KDOFPFPSSA-N -1 3 313.397 3.555 20 0 DHADHM CC(C)c1ncc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417566280 1022789926 /nfs/dbraw/zinc/78/99/26/1022789926.db2.gz QYSLVCFGYCCGRU-SWLSCSKDSA-N -1 3 318.442 3.818 20 0 DHADHM COc1ccc([C@H](C)CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184253945 1022795234 /nfs/dbraw/zinc/79/52/34/1022795234.db2.gz OHXUSQOGJLYRDN-CYBMUJFWSA-N -1 3 317.360 3.576 20 0 DHADHM CC[C@@]1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621911668 1022932858 /nfs/dbraw/zinc/93/28/58/1022932858.db2.gz KZURHGBTLRHNKA-AWEZNQCLSA-N -1 3 301.308 3.673 20 0 DHADHM C[C@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C[C@H]2C[C@H]2C1 ZINC000621970694 1022965512 /nfs/dbraw/zinc/96/55/12/1022965512.db2.gz MOJVSVGIGUMTMN-FVGIMDHTSA-N -1 3 322.368 3.593 20 0 DHADHM CC(C)Cc1ncc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000671162074 1022981821 /nfs/dbraw/zinc/98/18/21/1022981821.db2.gz JZLUJHLTGWHAQT-GFCCVEGCSA-N -1 3 324.471 3.709 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(C2CCCC2)C1 ZINC000621987516 1022983556 /nfs/dbraw/zinc/98/35/56/1022983556.db2.gz XNSLOOOOOPSBTD-UHFFFAOYSA-N -1 3 313.319 3.673 20 0 DHADHM COc1ccc(C(=O)N2CCCC3(CCCC3)CC2)c([O-])c1 ZINC000617565905 1022992655 /nfs/dbraw/zinc/99/26/55/1022992655.db2.gz LNMBNNQUXMLDKK-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCC2(CCCC2)CC1 ZINC000617565740 1022993267 /nfs/dbraw/zinc/99/32/67/1022993267.db2.gz DDLZKMHEHPYFST-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC2(CCC2)CC1 ZINC000622050850 1023016394 /nfs/dbraw/zinc/01/63/94/1023016394.db2.gz DVYSUOJHQLEKTF-UHFFFAOYSA-N -1 3 313.319 3.817 20 0 DHADHM CC(F)(F)c1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000857490973 1023021717 /nfs/dbraw/zinc/02/17/17/1023021717.db2.gz VKTLUNCSHYBQPE-UHFFFAOYSA-N -1 3 319.233 3.793 20 0 DHADHM CC(F)(F)c1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000857490973 1023021729 /nfs/dbraw/zinc/02/17/29/1023021729.db2.gz VKTLUNCSHYBQPE-UHFFFAOYSA-N -1 3 319.233 3.793 20 0 DHADHM CCOc1ccccc1[C@H](CC)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192726599 1023053533 /nfs/dbraw/zinc/05/35/33/1023053533.db2.gz XLHKEXBNPJBDHX-ZFWWWQNUSA-N -1 3 315.417 3.691 20 0 DHADHM Cc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1[O-] ZINC000617905377 1023090028 /nfs/dbraw/zinc/09/00/28/1023090028.db2.gz QNTFBZNHXMYHFY-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H](F)c1ccccc1 ZINC000769555806 1023178827 /nfs/dbraw/zinc/17/88/27/1023178827.db2.gz JGJTZXFVIUKTJB-ZDUSSCGKSA-N -1 3 324.149 3.804 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000769735618 1023206097 /nfs/dbraw/zinc/20/60/97/1023206097.db2.gz LTUFOIPJNNMUEQ-UHFFFAOYSA-N -1 3 309.409 3.802 20 0 DHADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1C1CCCCC1 ZINC000109539082 1023212625 /nfs/dbraw/zinc/21/26/25/1023212625.db2.gz FKNSYNJEBTYZPO-UHFFFAOYSA-N -1 3 313.401 3.963 20 0 DHADHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000769947607 1023243554 /nfs/dbraw/zinc/24/35/54/1023243554.db2.gz HTCRDPPCKFHNKO-ZDUSSCGKSA-N -1 3 311.381 3.745 20 0 DHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1csc2ccccc21 ZINC000770408525 1023307464 /nfs/dbraw/zinc/30/74/64/1023307464.db2.gz OMGFHHGFGJGVIO-SNVBAGLBSA-N -1 3 313.378 3.804 20 0 DHADHM CCc1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000041330847 1033128203 /nfs/dbraw/zinc/12/82/03/1033128203.db2.gz WBGMYZQKXBLYNO-UHFFFAOYSA-N -1 3 307.762 3.752 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000617095957 1023587119 /nfs/dbraw/zinc/58/71/19/1023587119.db2.gz ABNSYRFQFLRQLK-UHFFFAOYSA-N -1 3 322.459 3.713 20 0 DHADHM O=C(OCc1ncc(-c2cccs2)o1)c1cc2occc2[n-]1 ZINC000786031041 1023652847 /nfs/dbraw/zinc/65/28/47/1023652847.db2.gz HOKAVJUNCZCVPJ-UHFFFAOYSA-N -1 3 314.322 3.834 20 0 DHADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000049375413 1023769511 /nfs/dbraw/zinc/76/95/11/1023769511.db2.gz XFVXINTYWAFDLC-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000048653637 1023802957 /nfs/dbraw/zinc/80/29/57/1023802957.db2.gz GTNVKEXHVZZRGZ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)C(=O)[O-] ZINC000652365432 1023818613 /nfs/dbraw/zinc/81/86/13/1023818613.db2.gz MZZFOAFFNXXORA-AXFHLTTASA-N -1 3 322.792 3.755 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(F)cc1F ZINC000787843489 1023825719 /nfs/dbraw/zinc/82/57/19/1023825719.db2.gz JYJQMBBWVSJZFI-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000049524890 1023856223 /nfs/dbraw/zinc/85/62/23/1023856223.db2.gz YJSCDBALJBCMAY-KOLCDFICSA-N -1 3 322.257 3.850 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC000788297959 1023867914 /nfs/dbraw/zinc/86/79/14/1023867914.db2.gz FVHVBNZILFCUEO-VHSXEESVSA-N -1 3 307.440 3.573 20 0 DHADHM O=C(Nc1ccc2n[nH]cc2c1)c1cc2sccc2c([O-])c1 ZINC000788278258 1023869761 /nfs/dbraw/zinc/86/97/61/1023869761.db2.gz QBTKNKQTZMUCHZ-UHFFFAOYSA-N -1 3 309.350 3.736 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]1c1ccncc1 ZINC000788272488 1023870101 /nfs/dbraw/zinc/87/01/01/1023870101.db2.gz XSJKHUIEEUNMOK-HNNXBMFYSA-N -1 3 324.405 3.979 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)c1 ZINC000538774909 1033176430 /nfs/dbraw/zinc/17/64/30/1033176430.db2.gz YMTMXQPORHRALF-ZDUSSCGKSA-N -1 3 311.381 3.691 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@](C)(F)C2)c([O-])c1 ZINC000452204123 1024010770 /nfs/dbraw/zinc/01/07/70/1024010770.db2.gz GYWDYZSTLUYXHO-KRWDZBQOSA-N -1 3 309.381 3.535 20 0 DHADHM O=C(CCCC1CC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000643254692 1024120603 /nfs/dbraw/zinc/12/06/03/1024120603.db2.gz PMZYKQGNDXCRKQ-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000452750675 1024179644 /nfs/dbraw/zinc/17/96/44/1024179644.db2.gz FRBPJENVLIMMQU-WCBMZHEXSA-N -1 3 312.207 3.838 20 0 DHADHM Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc([O-])cc3)o2)c1 ZINC000026400598 1024194035 /nfs/dbraw/zinc/19/40/35/1024194035.db2.gz RODDTMGIBIUFCV-GFCCVEGCSA-N -1 3 324.336 3.669 20 0 DHADHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1c([O-])cccc1O ZINC000538802446 1033195783 /nfs/dbraw/zinc/19/57/83/1033195783.db2.gz YRPIIYDTJXYNFN-UHFFFAOYSA-N -1 3 313.397 3.668 20 0 DHADHM C[C@@H](CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000746933157 1024339161 /nfs/dbraw/zinc/33/91/61/1024339161.db2.gz XITLIQJIQYAMHJ-JTQLQIEISA-N -1 3 301.308 3.689 20 0 DHADHM O=c1ccnc(C=Cc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000131783048 1024433966 /nfs/dbraw/zinc/43/39/66/1024433966.db2.gz MAIPGJNDVDVRAF-DUXPYHPUSA-N -1 3 300.667 3.613 20 0 DHADHM O=C(Nc1ccc([O-])c(Br)c1)NC1CCCCC1 ZINC001202615286 1024612301 /nfs/dbraw/zinc/61/23/01/1024612301.db2.gz FNIUWNIHNWLOFX-UHFFFAOYSA-N -1 3 313.195 3.609 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1nc2cccnc2s1 ZINC000348864875 1024637150 /nfs/dbraw/zinc/63/71/50/1024637150.db2.gz CHNNKGLFSRQKGK-UHFFFAOYSA-N -1 3 304.400 3.524 20 0 DHADHM CSc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccn1 ZINC000792290957 1024657043 /nfs/dbraw/zinc/65/70/43/1024657043.db2.gz WHSAILAPZCSSQQ-UHFFFAOYSA-N -1 3 310.378 3.915 20 0 DHADHM CC(=O)Nc1cc(NCc2cc([O-])cc(F)c2)ccc1Cl ZINC000349616884 1024732348 /nfs/dbraw/zinc/73/23/48/1024732348.db2.gz XJXQUEFZPUPJKW-UHFFFAOYSA-N -1 3 308.740 3.755 20 0 DHADHM Nc1cc2c(cnn2-c2c(Cl)ccc([O-])c2F)c(Cl)c1 ZINC001214563926 1024750719 /nfs/dbraw/zinc/75/07/19/1024750719.db2.gz ZSSYBVRRFIKCMZ-UHFFFAOYSA-N -1 3 312.131 3.759 20 0 DHADHM Cc1nc2c(cccc2C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000350705173 1024839414 /nfs/dbraw/zinc/83/94/14/1024839414.db2.gz ZKKMFXPZKJSAQL-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM [O-]c1ccccc1-c1nc([C@H]2CSc3ccccc3O2)no1 ZINC000319997228 1024922433 /nfs/dbraw/zinc/92/24/33/1024922433.db2.gz SXYOFYLKEXGUEZ-CYBMUJFWSA-N -1 3 312.350 3.668 20 0 DHADHM COc1ccc(NC(=O)[N-]c2cc(-c3ccco3)no2)c(C)c1 ZINC001202713766 1024987440 /nfs/dbraw/zinc/98/74/40/1024987440.db2.gz OBRZWEWAAGFAHR-UHFFFAOYSA-N -1 3 313.313 3.896 20 0 DHADHM COc1ncc(Nc2ncc(Cl)cc2[O-])cc1C(F)(F)F ZINC001212799585 1025026544 /nfs/dbraw/zinc/02/65/44/1025026544.db2.gz KFMHSPXXEJXLKT-UHFFFAOYSA-N -1 3 319.670 3.607 20 0 DHADHM O=C(NCc1cnc2ccccc2c1)c1cc([O-])ccc1Cl ZINC000353342831 1025034088 /nfs/dbraw/zinc/03/40/88/1025034088.db2.gz FVXLCQZGCZKWKR-UHFFFAOYSA-N -1 3 312.756 3.524 20 0 DHADHM CCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCC1 ZINC000747151859 1025183288 /nfs/dbraw/zinc/18/32/88/1025183288.db2.gz HXSYNLSNOCHYAW-UHFFFAOYSA-N -1 3 301.308 3.834 20 0 DHADHM CSCCO[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000794189132 1025234721 /nfs/dbraw/zinc/23/47/21/1025234721.db2.gz VMPFZJOHPQIFAL-BBRMVZONSA-N -1 3 307.459 3.714 20 0 DHADHM C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000229296510 1025256793 /nfs/dbraw/zinc/25/67/93/1025256793.db2.gz KOSWQCQJDYRMTB-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM CSc1c(F)cccc1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000617275279 1025268464 /nfs/dbraw/zinc/26/84/64/1025268464.db2.gz ZXPKKYDLNQGJCC-UHFFFAOYSA-N -1 3 306.362 3.974 20 0 DHADHM C[C@@]1(C(=O)[O-])CCCN(CCc2cc(Cl)cc(Cl)c2)C1 ZINC000565426156 1025393094 /nfs/dbraw/zinc/39/30/94/1025393094.db2.gz JTZLTLAWODREKA-OAHLLOKOSA-N -1 3 316.228 3.723 20 0 DHADHM CC1(C)CC(=O)CC[C@@H]1Oc1cccc([O-])c1Br ZINC001229143433 1025421954 /nfs/dbraw/zinc/42/19/54/1025421954.db2.gz WCYNCPAIKWCXFZ-LBPRGKRZSA-N -1 3 313.191 3.681 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cscc1Br ZINC000354518372 1025448027 /nfs/dbraw/zinc/44/80/27/1025448027.db2.gz AKTJIFSGHXNGBV-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc2cc[nH]c2n1 ZINC000354569056 1025458968 /nfs/dbraw/zinc/45/89/68/1025458968.db2.gz JWPMOBWFNUOMRY-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000127748007 1025553318 /nfs/dbraw/zinc/55/33/18/1025553318.db2.gz IGQSJBSRVVLNKH-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM Cc1c(-c2ccccc2)sc2[n-]c(COC(C)C)nc(=O)c12 ZINC000075078695 1025834157 /nfs/dbraw/zinc/83/41/57/1025834157.db2.gz KRKKAPGBWNZYGN-UHFFFAOYSA-N -1 3 314.410 3.885 20 0 DHADHM CC(C)(C)c1cccc(CSc2nc3nncc-3c(O)[n-]2)c1 ZINC000663946682 1025871614 /nfs/dbraw/zinc/87/16/14/1025871614.db2.gz YMRQJVKINKBMNO-UHFFFAOYSA-N -1 3 314.414 3.648 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2CC3(C2)CCCCC3)c1[O-] ZINC000614861370 1025892833 /nfs/dbraw/zinc/89/28/33/1025892833.db2.gz NDEQQGHTTKRGSH-UHFFFAOYSA-N -1 3 301.386 3.894 20 0 DHADHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000628962145 1025906012 /nfs/dbraw/zinc/90/60/12/1025906012.db2.gz GLSZWAYOTPUBGW-MRVPVSSYSA-N -1 3 323.261 3.671 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000356015388 1025920135 /nfs/dbraw/zinc/92/01/35/1025920135.db2.gz RWHSHHGLLQAARV-UHFFFAOYSA-N -1 3 310.275 3.605 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000614244583 1025985442 /nfs/dbraw/zinc/98/54/42/1025985442.db2.gz KZLDFRJKJMIYOF-LDYMZIIASA-N -1 3 319.348 3.527 20 0 DHADHM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccccc3[O-])nc2c1 ZINC000195374989 1025996009 /nfs/dbraw/zinc/99/60/09/1025996009.db2.gz OMUGRFWBMFXYQH-MRXNPFEDSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccccc3[O-])[nH]c2c1 ZINC000195374989 1025996023 /nfs/dbraw/zinc/99/60/23/1025996023.db2.gz OMUGRFWBMFXYQH-MRXNPFEDSA-N -1 3 321.380 3.554 20 0 DHADHM CC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000178792296 1026118902 /nfs/dbraw/zinc/11/89/02/1026118902.db2.gz JZCIERQEJPPWJG-UHFFFAOYSA-N -1 3 324.336 3.538 20 0 DHADHM CC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000178792296 1026118913 /nfs/dbraw/zinc/11/89/13/1026118913.db2.gz JZCIERQEJPPWJG-UHFFFAOYSA-N -1 3 324.336 3.538 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1[O-] ZINC000808187926 1026222738 /nfs/dbraw/zinc/22/27/38/1026222738.db2.gz MPKLTKXMYMLOMC-YFHOEESVSA-N -1 3 315.756 3.900 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000171420205 1026246520 /nfs/dbraw/zinc/24/65/20/1026246520.db2.gz WPBLZEGTQMTGOJ-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000030116593 1026282644 /nfs/dbraw/zinc/28/26/44/1026282644.db2.gz HFBTWABOZSWOFC-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(Cl)c(F)c1 ZINC000808462497 1026298796 /nfs/dbraw/zinc/29/87/96/1026298796.db2.gz PAGJZZMKXXRZDU-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1ccc(-c2cccs2)o1 ZINC001131429020 1026371300 /nfs/dbraw/zinc/37/13/00/1026371300.db2.gz OYFDRZZOIFWBPK-UHFFFAOYSA-N -1 3 306.293 3.934 20 0 DHADHM O=C([N-]c1cccc2nonc21)c1cc(-c2ccccc2)ns1 ZINC000808800496 1026400714 /nfs/dbraw/zinc/40/07/14/1026400714.db2.gz HGKMQVMOEBKMSX-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM O=S(=O)([N-]CCC1CCCC1)c1cccc(Cl)c1Cl ZINC000030426999 1026612367 /nfs/dbraw/zinc/61/23/67/1026612367.db2.gz BYBSJRZRSUAYKF-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM CO[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000419502750 1026728772 /nfs/dbraw/zinc/72/87/72/1026728772.db2.gz ZUVJKKXNRWSGMC-OAHLLOKOSA-N -1 3 316.426 3.681 20 0 DHADHM CCc1sc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1C ZINC000576964940 1026763913 /nfs/dbraw/zinc/76/39/13/1026763913.db2.gz DJNIJMWQOHFORN-UHFFFAOYSA-N -1 3 303.383 3.779 20 0 DHADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1cnccn1 ZINC000810562551 1026782494 /nfs/dbraw/zinc/78/24/94/1026782494.db2.gz OFPXIZBSCXSEHM-SSDOTTSWSA-N -1 3 307.762 3.591 20 0 DHADHM C[C@H]1CC(OC(=O)c2cc3cc(Cl)sc3[n-]2)C[C@H](C)O1 ZINC000810672950 1026823615 /nfs/dbraw/zinc/82/36/15/1026823615.db2.gz QAGCWRUYLWQPTN-YUMQZZPRSA-N -1 3 313.806 3.996 20 0 DHADHM O=C([N-]OC1CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000810690066 1026830914 /nfs/dbraw/zinc/83/09/14/1026830914.db2.gz QLCARRJJHIPOGO-CYBMUJFWSA-N -1 3 322.836 3.547 20 0 DHADHM CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCOCC1 ZINC000810695078 1026834806 /nfs/dbraw/zinc/83/48/06/1026834806.db2.gz MYQHKONNOIQGLV-UHFFFAOYSA-N -1 3 313.806 3.856 20 0 DHADHM O=C(OCc1cncc(F)c1)c1cc2cc(Cl)sc2[n-]1 ZINC000811394286 1026991731 /nfs/dbraw/zinc/99/17/31/1026991731.db2.gz OZUWWCAZJKFYAV-UHFFFAOYSA-N -1 3 310.737 3.774 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000561950419 1027140024 /nfs/dbraw/zinc/14/00/24/1027140024.db2.gz CYHXUQSLKBDIQE-INIZCTEOSA-N -1 3 304.340 3.793 20 0 DHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1=CCCCC1 ZINC000572417192 1027201122 /nfs/dbraw/zinc/20/11/22/1027201122.db2.gz YCBQIARJOJQVLL-UHFFFAOYSA-N -1 3 308.341 3.657 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1=CCCCC1 ZINC000572417192 1027201138 /nfs/dbraw/zinc/20/11/38/1027201138.db2.gz YCBQIARJOJQVLL-UHFFFAOYSA-N -1 3 308.341 3.657 20 0 DHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812398916 1027257660 /nfs/dbraw/zinc/25/76/60/1027257660.db2.gz CRBBEQQYCBTCEU-RUDMXATFSA-N -1 3 323.820 3.784 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccccc1C(F)(F)F ZINC000812409585 1027270335 /nfs/dbraw/zinc/27/03/35/1027270335.db2.gz SXZHROKVJVHBDT-QBBOHKLWSA-N -1 3 321.726 3.999 20 0 DHADHM CON(Cc1ccccc1Cl)C(=O)c1cc(C)ccc1[O-] ZINC000812426850 1027279058 /nfs/dbraw/zinc/27/90/58/1027279058.db2.gz KXQAPBSENMTFGL-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM COc1ccc(CCCCCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812407527 1027282702 /nfs/dbraw/zinc/28/27/02/1027282702.db2.gz CDHSSFSPCLEPTA-XGICHPGQSA-N -1 3 311.809 3.598 20 0 DHADHM COc1cccc([C@H](C)CCCC(=O)[N-]OC/C=C\Cl)c1 ZINC000812407618 1027283637 /nfs/dbraw/zinc/28/36/37/1027283637.db2.gz JMSGMEVRDCSMBC-OMPYUXFZSA-N -1 3 311.809 3.769 20 0 DHADHM O=C(CCCOc1cccc2ccccc21)[N-]OC/C=C\Cl ZINC000812405873 1027283741 /nfs/dbraw/zinc/28/37/41/1027283741.db2.gz JACGDQRDSVPGMD-WZUFQYTHSA-N -1 3 319.788 3.799 20 0 DHADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000295652158 1027377219 /nfs/dbraw/zinc/37/72/19/1027377219.db2.gz GLROORJMRPSCBE-KGLIPLIRSA-N -1 3 312.413 3.887 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2F)c1[O-] ZINC000574311317 1027381668 /nfs/dbraw/zinc/38/16/68/1027381668.db2.gz QWMDGIHVQXYVCU-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM CON(Cc1ccc(Cl)cc1)C(=O)c1cccc(C)c1[O-] ZINC000812799276 1027425980 /nfs/dbraw/zinc/42/59/80/1027425980.db2.gz VEVPNRBFJJXDRC-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]34C[C@H]3CCC4)c2)n1 ZINC000575037422 1027449637 /nfs/dbraw/zinc/44/96/37/1027449637.db2.gz NZORPSZPXYNDDS-BFUOFWGJSA-N -1 3 323.396 3.540 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(OC(C)C)cc2)cc1 ZINC000747834201 1027500838 /nfs/dbraw/zinc/50/08/38/1027500838.db2.gz PBPSAVNMJQBBHB-UHFFFAOYSA-N -1 3 313.397 3.573 20 0 DHADHM O=C(OCc1ccc(Cl)cn1)c1cc(Cl)c(Cl)[n-]1 ZINC000778095779 1027521135 /nfs/dbraw/zinc/52/11/35/1027521135.db2.gz XHSIHISQZDRZQP-UHFFFAOYSA-N -1 3 305.548 3.727 20 0 DHADHM CC(C)CCOc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000158471148 1027542229 /nfs/dbraw/zinc/54/22/29/1027542229.db2.gz FVKYSTAVURNBGQ-INIZCTEOSA-N -1 3 322.405 3.691 20 0 DHADHM CC(C)CCOc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000158471148 1027542241 /nfs/dbraw/zinc/54/22/41/1027542241.db2.gz FVKYSTAVURNBGQ-INIZCTEOSA-N -1 3 322.405 3.691 20 0 DHADHM O=C([N-][C@@H]1CC=C(c2ccc(F)cc2)CC1)C(F)(F)C(F)F ZINC000778134730 1027622623 /nfs/dbraw/zinc/62/26/23/1027622623.db2.gz AXLFVKZWRJHGCE-GFCCVEGCSA-N -1 3 319.273 3.778 20 0 DHADHM COCC(C)(C)CCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000813631764 1027690685 /nfs/dbraw/zinc/69/06/85/1027690685.db2.gz ZZVNFSRRWQZVQT-UHFFFAOYSA-N -1 3 321.442 3.790 20 0 DHADHM O=C1N[C@@H](c2ccc([O-])c(F)c2)Nc2c3ccccc3sc21 ZINC000159200786 1027754903 /nfs/dbraw/zinc/75/49/03/1027754903.db2.gz PNXDOFPANWDJNB-HNNXBMFYSA-N -1 3 314.341 3.600 20 0 DHADHM CCCc1ccccc1-c1ccc(S([O-])=CC(=O)OC)cc1 ZINC000600794866 1027835909 /nfs/dbraw/zinc/83/59/09/1027835909.db2.gz XRJDEPWVGGENPQ-JOCHJYFZSA-N -1 3 316.422 3.587 20 0 DHADHM Cc1ccc(CCN(Cc2ccco2)Cc2ncccc2[O-])cc1 ZINC000577661618 1027872661 /nfs/dbraw/zinc/87/26/61/1027872661.db2.gz SXEKUBVSNPMGHA-UHFFFAOYSA-N -1 3 322.408 3.934 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000577921708 1027991008 /nfs/dbraw/zinc/99/10/08/1027991008.db2.gz QOKYRPZFFPJOJJ-ZWKOTPCHSA-N -1 3 303.361 3.831 20 0 DHADHM O=C(OCCC1CCOCC1)c1cc2sccc2c([O-])c1 ZINC000814469576 1028068934 /nfs/dbraw/zinc/06/89/34/1028068934.db2.gz OVBODFBUDXDFIE-UHFFFAOYSA-N -1 3 306.383 3.580 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCC(C)C)cc2)n1 ZINC000448793019 1028071813 /nfs/dbraw/zinc/07/18/13/1028071813.db2.gz KKGSVSYUDMLFGH-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448816938 1028091250 /nfs/dbraw/zinc/09/12/50/1028091250.db2.gz BDVULEVHMYOBRS-UHFFFAOYSA-N -1 3 319.351 3.650 20 0 DHADHM O=C(C[C@H]1CC=CCC1)NCc1ccc([O-])c(Br)c1 ZINC000934944146 1028167165 /nfs/dbraw/zinc/16/71/65/1028167165.db2.gz FTHMZBHURDSNSE-NSHDSACASA-N -1 3 324.218 3.517 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)C1CCC1 ZINC000448914001 1028174030 /nfs/dbraw/zinc/17/40/30/1028174030.db2.gz TUFVFMVSCNZLKR-LJQANCHMSA-N -1 3 313.372 3.731 20 0 DHADHM CC(C)Oc1ccc(COC(=O)c2cncc([O-])c2)cc1Cl ZINC000778313116 1028217637 /nfs/dbraw/zinc/21/76/37/1028217637.db2.gz AZDSNAIGGYKRPV-UHFFFAOYSA-N -1 3 321.760 3.585 20 0 DHADHM Cc1ccccc1[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)C ZINC000448970843 1028219946 /nfs/dbraw/zinc/21/99/46/1028219946.db2.gz RPIDLTPWLJCZMP-IBGZPJMESA-N -1 3 315.388 3.896 20 0 DHADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1C1CC1 ZINC000578719452 1028225761 /nfs/dbraw/zinc/22/57/61/1028225761.db2.gz WYHCZKGPLYHACV-UHFFFAOYSA-N -1 3 301.317 3.670 20 0 DHADHM CSc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000368915784 1028423132 /nfs/dbraw/zinc/42/31/32/1028423132.db2.gz VDBREJDLAMTGIG-VTXSZYRJSA-N -1 3 317.454 3.765 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](CC2CC2)C1 ZINC000579633020 1028452136 /nfs/dbraw/zinc/45/21/36/1028452136.db2.gz UHECNZAPTRJIAU-OAHLLOKOSA-N -1 3 305.393 3.503 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](CC2CC2)C1 ZINC000579633019 1028452874 /nfs/dbraw/zinc/45/28/74/1028452874.db2.gz UHECNZAPTRJIAU-HNNXBMFYSA-N -1 3 305.393 3.503 20 0 DHADHM CCC(CC)N(CCOC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000564578697 1028476137 /nfs/dbraw/zinc/47/61/37/1028476137.db2.gz ZLCFOIBBCKLRTB-UHFFFAOYSA-N -1 3 313.825 3.675 20 0 DHADHM COc1cccc2[nH]c(C(=O)Nc3ccc(Cl)cc3[O-])cc21 ZINC001138015220 1028558326 /nfs/dbraw/zinc/55/83/26/1028558326.db2.gz VWYOVGGBEOWDQE-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)co2)on1 ZINC000371901382 1028776826 /nfs/dbraw/zinc/77/68/26/1028776826.db2.gz UTVUBVIAVHUGEW-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM O=C(OCCCc1cnoc1)c1cc2cc(Cl)sc2[n-]1 ZINC000816227608 1028782358 /nfs/dbraw/zinc/78/23/58/1028782358.db2.gz AWUJSVUUILKBNX-UHFFFAOYSA-N -1 3 310.762 3.660 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000627606525 1028783213 /nfs/dbraw/zinc/78/32/13/1028783213.db2.gz MIXOLIGFYWIPAK-WDEREUQCSA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)c1ccc(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)cc1 ZINC000041718946 1028793795 /nfs/dbraw/zinc/79/37/95/1028793795.db2.gz DVKWXNJRMAKRJH-WOJGMQOQSA-N -1 3 320.392 3.739 20 0 DHADHM Cc1ccc(SCc2cc(=O)oc3c(C)c([O-])ccc23)nc1 ZINC000042173488 1028916944 /nfs/dbraw/zinc/91/69/44/1028916944.db2.gz WOWPPABNYVEADM-UHFFFAOYSA-N -1 3 313.378 3.803 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(-c3ccccc3)o2)n1 ZINC000628374440 1029022536 /nfs/dbraw/zinc/02/25/36/1029022536.db2.gz JPBVCVCCFOXLTG-UHFFFAOYSA-N -1 3 323.396 3.776 20 0 DHADHM Cc1oc2ccccc2c1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000628374847 1029023290 /nfs/dbraw/zinc/02/32/90/1029023290.db2.gz HGFYZEIJDHSQIM-UHFFFAOYSA-N -1 3 311.385 3.570 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000816976784 1029046845 /nfs/dbraw/zinc/04/68/45/1029046845.db2.gz KESRROZWOIMKSA-LLVKDONJSA-N -1 3 324.471 3.872 20 0 DHADHM COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc32)ccc1[O-] ZINC000043079822 1029140460 /nfs/dbraw/zinc/14/04/60/1029140460.db2.gz VDHFVALLJWNZNK-JYRVWZFOSA-N -1 3 318.332 3.672 20 0 DHADHM COc1ccc2nc(NC(=O)c3c(C)cccc3[O-])sc2c1 ZINC001135918819 1029173172 /nfs/dbraw/zinc/17/31/72/1029173172.db2.gz ISJBDVBOPLRYSP-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Nc1ccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000817916857 1029274669 /nfs/dbraw/zinc/27/46/69/1029274669.db2.gz LQFYWAQOXDOOOM-SFHVURJKSA-N -1 3 322.408 3.657 20 0 DHADHM Cn1ncc2c1nc(SCCC1CCCCCC1)[n-]c2=O ZINC000629221834 1029280856 /nfs/dbraw/zinc/28/08/56/1029280856.db2.gz WXJYNEXZUWIXEA-UHFFFAOYSA-N -1 3 306.435 3.522 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)n[n-]2)o1 ZINC000412194335 1029357998 /nfs/dbraw/zinc/35/79/98/1029357998.db2.gz NROUMTBVPBYSMK-ACJLOTCBSA-N -1 3 322.368 3.505 20 0 DHADHM CCN(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529538533 1029400870 /nfs/dbraw/zinc/40/08/70/1029400870.db2.gz DAYIVTMJUFCRHF-UHFFFAOYSA-N -1 3 318.804 3.622 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(c3cccc(Cl)c3)C2)c1 ZINC000412391719 1029429576 /nfs/dbraw/zinc/42/95/76/1029429576.db2.gz ZDUQGTLMLHKCEY-UHFFFAOYSA-N -1 3 315.800 3.848 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000412460421 1029448647 /nfs/dbraw/zinc/44/86/47/1029448647.db2.gz FSDRVHGQJOIDOR-HOTGVXAUSA-N -1 3 319.420 3.797 20 0 DHADHM CC(C)(C)c1ccncc1CNC(=O)c1cc([O-])ccc1Cl ZINC000412566884 1029471627 /nfs/dbraw/zinc/47/16/27/1029471627.db2.gz VNYALEYLLXNKNL-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM Cc1sccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219377 1029564129 /nfs/dbraw/zinc/56/41/29/1029564129.db2.gz RRKOSQWLPSUMIW-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1[O-] ZINC001136242088 1029593051 /nfs/dbraw/zinc/59/30/51/1029593051.db2.gz PTSXXKOZWAPRPY-UHFFFAOYSA-N -1 3 313.353 3.634 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1[O-] ZINC001136269286 1029616133 /nfs/dbraw/zinc/61/61/33/1029616133.db2.gz VZLHNPQKXSLUTP-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2ccsc2)CC1 ZINC000450752805 1029643473 /nfs/dbraw/zinc/64/34/73/1029643473.db2.gz DMOQTEJJKOJCLR-UHFFFAOYSA-N -1 3 319.401 3.542 20 0 DHADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1ccccc1[O-] ZINC000530038058 1029718849 /nfs/dbraw/zinc/71/88/49/1029718849.db2.gz ZTQQFKBFJRIUKQ-MRXNPFEDSA-N -1 3 313.372 3.940 20 0 DHADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000530179668 1029775285 /nfs/dbraw/zinc/77/52/85/1029775285.db2.gz NPBPRUKNKYXRAT-PTEHBNRSSA-N -1 3 315.335 3.779 20 0 DHADHM CCc1c(C(=O)Nc2cccc([O-])c2F)cnn1C1CCCC1 ZINC000530454212 1029854507 /nfs/dbraw/zinc/85/45/07/1029854507.db2.gz XKWHIJIAOFELSY-UHFFFAOYSA-N -1 3 317.364 3.658 20 0 DHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001136484788 1029865821 /nfs/dbraw/zinc/86/58/21/1029865821.db2.gz LKFUOJOHGJCDQG-NSHDSACASA-N -1 3 312.394 3.835 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1[O-] ZINC000530718665 1029983884 /nfs/dbraw/zinc/98/38/84/1029983884.db2.gz UQWYNDSYYVOYQI-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)c1[O-] ZINC001136577149 1030006857 /nfs/dbraw/zinc/00/68/57/1030006857.db2.gz YQHPHNRKLKTJAP-AWEZNQCLSA-N -1 3 323.396 3.712 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000557096750 1030029580 /nfs/dbraw/zinc/02/95/80/1030029580.db2.gz COENITBSPOLLMZ-UHFFFAOYSA-N -1 3 319.879 3.994 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1cc(-c2ccccc2)no1 ZINC000357399850 1030034984 /nfs/dbraw/zinc/03/49/84/1030034984.db2.gz ZTAPRPRXXCPQGA-UHFFFAOYSA-N -1 3 305.293 3.735 20 0 DHADHM CCOc1ccc(CN(C)C(=O)c2cccc(CC)c2[O-])cc1 ZINC000530881174 1030046989 /nfs/dbraw/zinc/04/69/89/1030046989.db2.gz NCWJWKTXLGZIGQ-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM CCCCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000530897000 1030062682 /nfs/dbraw/zinc/06/26/82/1030062682.db2.gz QBFXNDGVBBLMSR-UHFFFAOYSA-N -1 3 303.333 3.963 20 0 DHADHM CC[C@](C)(NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000823185312 1030220876 /nfs/dbraw/zinc/22/08/76/1030220876.db2.gz OWLWWXMZJONZCQ-SFHVURJKSA-N -1 3 301.361 3.515 20 0 DHADHM COc1ccccc1C1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000533618583 1030459640 /nfs/dbraw/zinc/45/96/40/1030459640.db2.gz VAWHWCQGFGJUME-UHFFFAOYSA-N -1 3 317.772 3.725 20 0 DHADHM Cc1sc(NC(=O)[N-]OCc2ccccc2)nc1C(C)C ZINC000824290030 1030516355 /nfs/dbraw/zinc/51/63/55/1030516355.db2.gz IWNGJFUBRQLDOY-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM CC[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000358797717 1030630620 /nfs/dbraw/zinc/63/06/20/1030630620.db2.gz AJYGVYISSXNZPQ-GFCCVEGCSA-N -1 3 302.378 3.610 20 0 DHADHM CCN(CCO)c1ccc(Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001212009610 1030649328 /nfs/dbraw/zinc/64/93/28/1030649328.db2.gz SWULAHKPSHLRDN-UHFFFAOYSA-N -1 3 322.355 3.541 20 0 DHADHM CCOC(=O)c1ccc(NC)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009096 1030649653 /nfs/dbraw/zinc/64/96/53/1030649653.db2.gz JNRNEZIFFRVGFZ-UHFFFAOYSA-N -1 3 322.311 3.632 20 0 DHADHM C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cc([O-])cc(F)c1 ZINC000926215426 1030659589 /nfs/dbraw/zinc/65/95/89/1030659589.db2.gz WSMIFUNQLHQKGN-LLVKDONJSA-N -1 3 322.380 3.685 20 0 DHADHM COC(=O)c1c(Cl)cccc1Nc1ccc([O-])c(F)c1F ZINC001212013838 1030660679 /nfs/dbraw/zinc/66/06/79/1030660679.db2.gz LYMOCRGMHAHECP-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Nc1cc(Br)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212014084 1030661019 /nfs/dbraw/zinc/66/10/19/1030661019.db2.gz YSMKCKYDEBXVDH-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM CCOC(=O)CCc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016232 1030673249 /nfs/dbraw/zinc/67/32/49/1030673249.db2.gz FTWWUXXASIMIHR-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM CSCc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001143689771 1030904677 /nfs/dbraw/zinc/90/46/77/1030904677.db2.gz GYQQJDGHJMTODN-UHFFFAOYSA-N -1 3 315.394 3.710 20 0 DHADHM CC1(CC(F)F)CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000844007264 1030933096 /nfs/dbraw/zinc/93/30/96/1030933096.db2.gz NDVILOJNYAAVAX-UHFFFAOYSA-N -1 3 311.353 3.724 20 0 DHADHM CCCO[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000844083951 1030949658 /nfs/dbraw/zinc/94/96/58/1030949658.db2.gz VUQXCFQMRVETIW-STQMWFEESA-N -1 3 316.426 3.804 20 0 DHADHM C[C@H](N[C@H]1c2ccccc2OC[C@H]1F)c1cc([O-])cc(F)c1 ZINC000926891148 1030973567 /nfs/dbraw/zinc/97/35/67/1030973567.db2.gz XTGACBGXUIDBQT-FGDXXIHYSA-N -1 3 305.324 3.654 20 0 DHADHM O=c1nc(CN2CCC[C@@H]3CCCC[C@H]32)[n-]c2ccsc21 ZINC000253537807 1030973709 /nfs/dbraw/zinc/97/37/09/1030973709.db2.gz BRBPLIDFHANVBT-WCQYABFASA-N -1 3 303.431 3.552 20 0 DHADHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212093886 1031008091 /nfs/dbraw/zinc/00/80/91/1031008091.db2.gz NXNRVDRAJHZWNY-WCQYABFASA-N -1 3 322.257 3.706 20 0 DHADHM Cc1cccc(C2=CCN(Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000263403975 1031189331 /nfs/dbraw/zinc/18/93/31/1031189331.db2.gz JAHSYQYJMORGIL-UHFFFAOYSA-N -1 3 307.393 3.983 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1[O-] ZINC000871328945 1031198203 /nfs/dbraw/zinc/19/82/03/1031198203.db2.gz MZNPPJDKQJOZAT-MRXNPFEDSA-N -1 3 317.429 3.518 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CCCC[C@@H]1C)CC2 ZINC000871621020 1031248093 /nfs/dbraw/zinc/24/80/93/1031248093.db2.gz QZTXNOCEKKXSPI-UONOGXRCSA-N -1 3 317.429 3.578 20 0 DHADHM CC1(C)CCc2sc(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC000421968945 1031314323 /nfs/dbraw/zinc/31/43/23/1031314323.db2.gz QCFBYMIIJIXCRT-UHFFFAOYSA-N -1 3 322.817 3.978 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000536695233 1031400857 /nfs/dbraw/zinc/40/08/57/1031400857.db2.gz ULMGOLAJAKGKHF-NSHDSACASA-N -1 3 301.411 3.776 20 0 DHADHM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872018872 1031401323 /nfs/dbraw/zinc/40/13/23/1031401323.db2.gz QFWMAKPIMVWEBX-NEPJUHHUSA-N -1 3 316.376 3.902 20 0 DHADHM CC(C)Oc1ncccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872022288 1031405412 /nfs/dbraw/zinc/40/54/12/1031405412.db2.gz IXLUIXFMNVTKQZ-GFCCVEGCSA-N -1 3 304.365 3.564 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000536711714 1031414157 /nfs/dbraw/zinc/41/41/57/1031414157.db2.gz JXHZHGJADYFUNQ-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM C[C@@H](NCc1ccc(OCC2CC2)nc1)c1cccc([O-])c1F ZINC000872030400 1031414837 /nfs/dbraw/zinc/41/48/37/1031414837.db2.gz DVKRAQLBZTYBLE-GFCCVEGCSA-N -1 3 316.376 3.566 20 0 DHADHM C[C@H](NCc1ccn(C2CCCC2)n1)c1cccc([O-])c1F ZINC000872051656 1031437605 /nfs/dbraw/zinc/43/76/05/1031437605.db2.gz JWLUKZHENRODHP-LBPRGKRZSA-N -1 3 303.381 3.694 20 0 DHADHM C[C@H](NCc1cccc2c1OCCCO2)c1cccc([O-])c1F ZINC000872053836 1031443125 /nfs/dbraw/zinc/44/31/25/1031443125.db2.gz XGVYFSHUITWXCY-LBPRGKRZSA-N -1 3 317.360 3.543 20 0 DHADHM C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc([O-])c1F ZINC000872062945 1031457912 /nfs/dbraw/zinc/45/79/12/1031457912.db2.gz RAJLOSISMUGHMT-QPUJVOFHSA-N -1 3 309.287 3.594 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000536890151 1031469994 /nfs/dbraw/zinc/46/99/94/1031469994.db2.gz NUIIDTNMVNVGRO-OLZOCXBDSA-N -1 3 305.736 3.927 20 0 DHADHM COc1ccc([C@H](N[C@@H](C)c2cccc([O-])c2F)C2CC2)cn1 ZINC000872090919 1031487392 /nfs/dbraw/zinc/48/73/92/1031487392.db2.gz FWFVIZYVLVNLGQ-BBATYDOGSA-N -1 3 316.376 3.737 20 0 DHADHM [O-]c1cccc(CN2CCC(O)(c3ccccc3)CC2)c1Cl ZINC000293540841 1031509960 /nfs/dbraw/zinc/50/99/60/1031509960.db2.gz FZNVKYWPWNUOPB-UHFFFAOYSA-N -1 3 317.816 3.529 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC000872157668 1031539696 /nfs/dbraw/zinc/53/96/96/1031539696.db2.gz PWHVNJFAACGWGT-NSHDSACASA-N -1 3 305.399 3.648 20 0 DHADHM C[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000872166982 1031545983 /nfs/dbraw/zinc/54/59/83/1031545983.db2.gz ZCJQLQAOSXZZHQ-DGCLKSJQSA-N -1 3 321.726 3.740 20 0 DHADHM CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(CC)cc2[O-])C1(C)C ZINC001149203817 1031597589 /nfs/dbraw/zinc/59/75/89/1031597589.db2.gz VSPBKLXFJGAGMB-SJORKVTESA-N -1 3 319.445 3.668 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)on1 ZINC000360946462 1031637959 /nfs/dbraw/zinc/63/79/59/1031637959.db2.gz JMIIRKLBFSKTMZ-UHFFFAOYSA-N -1 3 315.304 3.844 20 0 DHADHM CCOC1(C)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000293918400 1031696083 /nfs/dbraw/zinc/69/60/83/1031696083.db2.gz GMRLJCJAOJVTLD-UHFFFAOYSA-N -1 3 305.418 3.547 20 0 DHADHM CCC(F)(F)C(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000825650968 1031703060 /nfs/dbraw/zinc/70/30/60/1031703060.db2.gz BKMFLTLJAHQUHP-UHFFFAOYSA-N -1 3 307.262 3.856 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(Cc3ccncc3)CC2)c(F)c1 ZINC001144562082 1031713598 /nfs/dbraw/zinc/71/35/98/1031713598.db2.gz XYHFGPZSYAMXJQ-UHFFFAOYSA-N -1 3 318.367 3.520 20 0 DHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1c1ccncc1 ZINC000293955776 1031719651 /nfs/dbraw/zinc/71/96/51/1031719651.db2.gz PJZSFDKCPWVYQR-MRXNPFEDSA-N -1 3 304.340 3.649 20 0 DHADHM [O-]c1ccc(CNCc2cnc([C@H]3CCCO3)s2)cc1Cl ZINC000873179755 1031743641 /nfs/dbraw/zinc/74/36/41/1031743641.db2.gz UCRQIEYDTSHKGY-CQSZACIVSA-N -1 3 324.833 3.643 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1[O-] ZINC001144622026 1031770753 /nfs/dbraw/zinc/77/07/53/1031770753.db2.gz CJMOHGUQCXBQFC-LJQANCHMSA-N -1 3 323.392 3.866 20 0 DHADHM Cc1ccc2c(cccc2NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001144631332 1031780216 /nfs/dbraw/zinc/78/02/16/1031780216.db2.gz NVFPNUXKPZXBMM-UHFFFAOYSA-N -1 3 310.328 3.569 20 0 DHADHM CC[C@@H](C)C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001144633043 1031780927 /nfs/dbraw/zinc/78/09/27/1031780927.db2.gz BEELIBTWUCNVOH-LRVUVFPRSA-N -1 3 307.409 3.795 20 0 DHADHM Cc1ccnc2cc(NC(=O)Cc3ccc([O-])c(F)c3)ccc12 ZINC001144631622 1031781213 /nfs/dbraw/zinc/78/12/13/1031781213.db2.gz VOOYIGDTNZXASO-UHFFFAOYSA-N -1 3 310.328 3.569 20 0 DHADHM CC(C)(C)CCCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001144683620 1031834810 /nfs/dbraw/zinc/83/48/10/1031834810.db2.gz ORUJLKVHEPWBMG-UHFFFAOYSA-N -1 3 315.421 3.802 20 0 DHADHM CC(C)(C)CCCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001144683620 1031834822 /nfs/dbraw/zinc/83/48/22/1031834822.db2.gz ORUJLKVHEPWBMG-UHFFFAOYSA-N -1 3 315.421 3.802 20 0 DHADHM CC(C)c1nc(CCNCc2c(F)ccc([O-])c2F)cs1 ZINC000294191725 1031860269 /nfs/dbraw/zinc/86/02/69/1031860269.db2.gz KISXVDZOVGFNTG-UHFFFAOYSA-N -1 3 312.385 3.583 20 0 DHADHM COc1cc(C)c(NCc2c(F)ccc([O-])c2F)cc1OC ZINC000294277278 1031915381 /nfs/dbraw/zinc/91/53/81/1031915381.db2.gz OSUQSDFKAIYPIR-UHFFFAOYSA-N -1 3 309.312 3.608 20 0 DHADHM O=C(C[C@@H]1C=CCCC1)Nc1ccc(Br)cc1[O-] ZINC000548627320 1031931282 /nfs/dbraw/zinc/93/12/82/1031931282.db2.gz AMXBKDWVYSABDE-SNVBAGLBSA-N -1 3 310.191 3.840 20 0 DHADHM O=C([O-])Cc1ccccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000846234553 1031937603 /nfs/dbraw/zinc/93/76/03/1031937603.db2.gz HJYMTKYMBSUZJZ-GOSISDBHSA-N -1 3 313.372 3.790 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1Cc1ccccc1CC(=O)[O-] ZINC000846237763 1031940579 /nfs/dbraw/zinc/94/05/79/1031940579.db2.gz JVROATBLFMMKAB-MRXNPFEDSA-N -1 3 315.438 3.885 20 0 DHADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000846375245 1031968924 /nfs/dbraw/zinc/96/89/24/1031968924.db2.gz NKTYKDMVOPXQMX-OAHLLOKOSA-N -1 3 313.397 3.575 20 0 DHADHM C[C@]1(CCNC(=O)c2cc([O-])c3ccccc3c2)C[C@@]1(F)Cl ZINC000846400419 1031973305 /nfs/dbraw/zinc/97/33/05/1031973305.db2.gz PICLXJKNKKWVAA-IRXDYDNUSA-N -1 3 321.779 3.980 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(CC2(F)F)CC1 ZINC000846469142 1031987763 /nfs/dbraw/zinc/98/77/63/1031987763.db2.gz LGRSPBOWMZADEF-UHFFFAOYSA-N -1 3 317.335 3.807 20 0 DHADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000283030773 1033344333 /nfs/dbraw/zinc/34/43/33/1033344333.db2.gz NBBJLYBMGKYNCS-ZDUSSCGKSA-N -1 3 312.413 3.981 20 0 DHADHM C[C@H](C1CCCCC1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000283030768 1033344657 /nfs/dbraw/zinc/34/46/57/1033344657.db2.gz NBBJLYBMGKYNCS-CYBMUJFWSA-N -1 3 312.413 3.981 20 0 DHADHM [O-]c1cc(F)cc(F)c1Nc1ccc(Cn2ccnc2)cc1 ZINC001212696772 1033484672 /nfs/dbraw/zinc/48/46/72/1033484672.db2.gz KSZJFOWNWKTQHC-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CC(C)N(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccc1 ZINC000877949746 1033526037 /nfs/dbraw/zinc/52/60/37/1033526037.db2.gz BIPUETCMXQJSRN-UHFFFAOYSA-N -1 3 323.396 3.853 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000860897470 1033530514 /nfs/dbraw/zinc/53/05/14/1033530514.db2.gz XXTOQULOLWDHFG-LBPRGKRZSA-N -1 3 317.335 3.609 20 0 DHADHM Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c(C(F)(F)F)c1 ZINC001212709571 1033574141 /nfs/dbraw/zinc/57/41/41/1033574141.db2.gz BBQZUCPDESIMRP-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM [O-]c1cncc(-c2nc(-c3cccc4nccc(Cl)c43)no2)c1 ZINC001212709720 1033574830 /nfs/dbraw/zinc/57/48/30/1033574830.db2.gz KGOSBIGNTRUOLQ-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM COc1ccc2c(cccc2-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212709944 1033577039 /nfs/dbraw/zinc/57/70/39/1033577039.db2.gz WRJSPSXPIXBALB-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000479474315 1033769630 /nfs/dbraw/zinc/76/96/30/1033769630.db2.gz ZRVLYGDBRDGLEX-CYBMUJFWSA-N -1 3 324.384 3.896 20 0 DHADHM CCC[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)OCC ZINC000862415643 1033848565 /nfs/dbraw/zinc/84/85/65/1033848565.db2.gz GIWSZTBJZACIAV-LBPRGKRZSA-N -1 3 307.415 3.542 20 0 DHADHM C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174209356 1033912293 /nfs/dbraw/zinc/91/22/93/1033912293.db2.gz AJENFXGFXAZVCP-LBPRGKRZSA-N -1 3 319.351 3.556 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCCC(F)(F)CC1 ZINC000862713804 1033913648 /nfs/dbraw/zinc/91/36/48/1033913648.db2.gz ANLGONLKWQOTNO-UHFFFAOYSA-N -1 3 311.353 3.868 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc(F)cc1F ZINC001173925523 1033957258 /nfs/dbraw/zinc/95/72/58/1033957258.db2.gz WICAXTCIYYNZIY-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000863011580 1033977375 /nfs/dbraw/zinc/97/73/75/1033977375.db2.gz KZDQDPHNFHWOMW-LLVKDONJSA-N -1 3 305.324 3.805 20 0 DHADHM CC(=O)Nc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001173979757 1034053807 /nfs/dbraw/zinc/05/38/07/1034053807.db2.gz YVGJWILFTLHIGN-UHFFFAOYSA-N -1 3 321.174 3.857 20 0 DHADHM O=C(c1ccc(Nc2ccc([O-])c(F)c2F)cc1)N1CCCC1 ZINC001174067709 1034126040 /nfs/dbraw/zinc/12/60/40/1034126040.db2.gz KLEANSFOQNOWKB-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174151128 1034178111 /nfs/dbraw/zinc/17/81/11/1034178111.db2.gz ZNEMGAITHIVFLN-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM Cc1cccc(CO[N-]C(=O)CC2CC(c3ccccc3)C2)n1 ZINC000898930142 1034325988 /nfs/dbraw/zinc/32/59/88/1034325988.db2.gz FNOAIKXDWJCHDC-UHFFFAOYSA-N -1 3 310.397 3.522 20 0 DHADHM [O-]c1cccc(Nc2cnc3[nH]ccc3c2)c1Br ZINC001174399204 1034329003 /nfs/dbraw/zinc/32/90/03/1034329003.db2.gz BAPUKZZFQHBJQG-UHFFFAOYSA-N -1 3 304.147 3.726 20 0 DHADHM CCc1ccc(-c2nc(C3Cc4ccccc4C3)no2)c([O-])c1 ZINC000554805965 1034346541 /nfs/dbraw/zinc/34/65/41/1034346541.db2.gz OIEWHPACDFEPSS-UHFFFAOYSA-N -1 3 306.365 3.887 20 0 DHADHM CC(C)(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000864510618 1034370492 /nfs/dbraw/zinc/37/04/92/1034370492.db2.gz YBZISMIXRWRNIM-HNNXBMFYSA-N -1 3 319.426 3.841 20 0 DHADHM CCOc1cc(F)cc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000864515825 1034371755 /nfs/dbraw/zinc/37/17/55/1034371755.db2.gz FGBMDKHXMBXSLH-UHFFFAOYSA-N -1 3 317.360 3.521 20 0 DHADHM CC(C)=CC[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000864529286 1034379642 /nfs/dbraw/zinc/37/96/42/1034379642.db2.gz GPWKGXQGVULSQR-GFCCVEGCSA-N -1 3 303.736 3.517 20 0 DHADHM CC(C)=CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000480743054 1034430597 /nfs/dbraw/zinc/43/05/97/1034430597.db2.gz YETSTQHYPMEEMW-UHFFFAOYSA-N -1 3 308.230 3.546 20 0 DHADHM O=C1CCCCN1c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185481512 1034550629 /nfs/dbraw/zinc/55/06/29/1034550629.db2.gz AITOZHRFUOTUTI-UHFFFAOYSA-N -1 3 314.360 3.660 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(N3CCSCC3)cc2)c1 ZINC000185596418 1034560116 /nfs/dbraw/zinc/56/01/16/1034560116.db2.gz ITXQKOJAQAAZEQ-UHFFFAOYSA-N -1 3 318.417 3.697 20 0 DHADHM CN(C)c1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001174883828 1034639049 /nfs/dbraw/zinc/63/90/49/1034639049.db2.gz HEWPIMJRPNHIEB-UHFFFAOYSA-N -1 3 307.191 3.964 20 0 DHADHM COc1ccc(Nc2cc(=O)[n-]n2C2CCCC2)c(F)c1F ZINC001175020953 1034742156 /nfs/dbraw/zinc/74/21/56/1034742156.db2.gz APJQJYYFTSOQQV-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM Cc1cc(=O)c2ccc(Nc3c(F)cc([O-])cc3F)cc2o1 ZINC001175099575 1034781223 /nfs/dbraw/zinc/78/12/23/1034781223.db2.gz NEABPTMHOUPJHY-UHFFFAOYSA-N -1 3 303.264 3.829 20 0 DHADHM [O-]c1cc(F)c(Nc2cc(O)ccc2Br)c(F)c1 ZINC001175100393 1034782605 /nfs/dbraw/zinc/78/26/05/1034782605.db2.gz RPBFMEYTVMQEFB-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=C1c2ccc(Nc3c(F)cc([O-])cc3F)cc2CN1C1CC1 ZINC001175102985 1034783165 /nfs/dbraw/zinc/78/31/65/1034783165.db2.gz QKQGZSAMPHEORY-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM COC(Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1)OC ZINC001175102021 1034784513 /nfs/dbraw/zinc/78/45/13/1034784513.db2.gz CJAWXCJSZPVLNL-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(-c3cc(CO)on3)cc2)c(F)c1 ZINC001175102321 1034784908 /nfs/dbraw/zinc/78/49/08/1034784908.db2.gz IOJHKOWLYLEHER-UHFFFAOYSA-N -1 3 318.279 3.561 20 0 DHADHM COC(=O)[C@@H]1CCc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175103750 1034786698 /nfs/dbraw/zinc/78/66/98/1034786698.db2.gz YRMQUHKYCLTDDO-CYBMUJFWSA-N -1 3 319.307 3.617 20 0 DHADHM COc1ccc2cc(Nc3c(F)cc([O-])cc3F)ccc2n1 ZINC001175097088 1034810202 /nfs/dbraw/zinc/81/02/02/1034810202.db2.gz ONOHFEPKAWPJOB-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COC(=O)c1cc(Nc2c(F)cc([O-])cc2F)ccc1Cl ZINC001175096618 1034811521 /nfs/dbraw/zinc/81/15/21/1034811521.db2.gz FVSMBFORKXHQNY-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000192735897 1034816600 /nfs/dbraw/zinc/81/66/00/1034816600.db2.gz NGWWKJZTEZAYOG-VHSXEESVSA-N -1 3 309.772 3.695 20 0 DHADHM CCOc1cc(Nc2cc(=O)[n-]c(C)n2)cc(C(F)(F)F)c1 ZINC001175139463 1034835975 /nfs/dbraw/zinc/83/59/75/1034835975.db2.gz XPAMTOBJGJGDNB-UHFFFAOYSA-N -1 3 313.279 3.652 20 0 DHADHM CCc1c(C(=O)Nc2cccc([O-])c2F)cnn1CCC(C)C ZINC000555630830 1034847688 /nfs/dbraw/zinc/84/76/88/1034847688.db2.gz ZMVLCXYGGIHZQN-UHFFFAOYSA-N -1 3 319.380 3.589 20 0 DHADHM O=C(NCc1cc2cnccc2o1)c1cc([O-])c2ccccc2c1 ZINC001175161880 1034849892 /nfs/dbraw/zinc/84/98/92/1034849892.db2.gz UNAOQSICPQRYDN-UHFFFAOYSA-N -1 3 318.332 3.617 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(Br)cnc2F)c1F ZINC001175263906 1034912293 /nfs/dbraw/zinc/91/22/93/1034912293.db2.gz WNRPWEIEQDPZGE-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc(Br)s2)c1F ZINC001175264988 1034913798 /nfs/dbraw/zinc/91/37/98/1034913798.db2.gz ABENKXSHMBYCFP-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM COCCCOc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175268715 1034913880 /nfs/dbraw/zinc/91/38/80/1034913880.db2.gz QXZTZHVSLFEGFS-UHFFFAOYSA-N -1 3 309.312 3.829 20 0 DHADHM CCOC(=O)c1ccc(NC)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267828 1034914462 /nfs/dbraw/zinc/91/44/62/1034914462.db2.gz ACTXSOJTYRJRIL-UHFFFAOYSA-N -1 3 322.311 3.632 20 0 DHADHM COC(=O)c1cc(Cl)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267798 1034914673 /nfs/dbraw/zinc/91/46/73/1034914673.db2.gz HJZBWAVZIHKNDX-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(C(F)(F)F)cnc2F)c1F ZINC001175265089 1034914771 /nfs/dbraw/zinc/91/47/71/1034914771.db2.gz BLSWXAAUKMLNFI-UHFFFAOYSA-N -1 3 308.181 3.967 20 0 DHADHM COc1cccc(-n2nccc2Nc2c(F)ccc([O-])c2F)c1 ZINC001175266332 1034915044 /nfs/dbraw/zinc/91/50/44/1034915044.db2.gz USDNLHNADKSXBT-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COC(=O)c1cccc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175268357 1034915057 /nfs/dbraw/zinc/91/50/57/1034915057.db2.gz KZNORGFOEINAGG-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccc(Cn3ccnc3)c2)c1F ZINC001175269017 1034916601 /nfs/dbraw/zinc/91/66/01/1034916601.db2.gz WPZISWPDTTUKJA-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM COC(=O)c1cc(C)c(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175271119 1034917906 /nfs/dbraw/zinc/91/79/06/1034917906.db2.gz SMEBPQGTUNLWQX-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM CN(C)Cc1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320495 1034932338 /nfs/dbraw/zinc/93/23/38/1034932338.db2.gz RLNZCGVVDPSYQF-UHFFFAOYSA-N -1 3 304.777 3.843 20 0 DHADHM CN(C)[C@H]1CCOc2c(Nc3cccc(C(=O)[O-])c3)cccc21 ZINC001175335166 1034938176 /nfs/dbraw/zinc/93/81/76/1034938176.db2.gz WXIMZYAIZRKHQW-INIZCTEOSA-N -1 3 312.369 3.514 20 0 DHADHM c1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)nc2)cc1 ZINC001175423973 1034976774 /nfs/dbraw/zinc/97/67/74/1034976774.db2.gz ZMPNVTYFYFHRFZ-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM FC(F)(F)Oc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428467 1034978203 /nfs/dbraw/zinc/97/82/03/1034978203.db2.gz LBSPLDCOBCENLO-UHFFFAOYSA-N -1 3 321.262 3.509 20 0 DHADHM Clc1ccc2c(cncc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175427531 1034979193 /nfs/dbraw/zinc/97/91/93/1034979193.db2.gz LYQHBIXEPWKAIO-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccsc2n1 ZINC001175427149 1034979292 /nfs/dbraw/zinc/97/92/92/1034979292.db2.gz IHQKCXQONHWVPY-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Cc1cccc(C(F)(F)F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429973 1034981071 /nfs/dbraw/zinc/98/10/71/1034981071.db2.gz YMQFKWQJNARILR-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Clc1ccnc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001175432108 1034981361 /nfs/dbraw/zinc/98/13/61/1034981361.db2.gz VFZPDQBJLSZMEX-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CC(=O)OCc1cccc(C)c1Nc1ccc([O-])c(F)c1F ZINC001212770045 1035043009 /nfs/dbraw/zinc/04/30/09/1035043009.db2.gz LBNIWSMADPIRNG-UHFFFAOYSA-N -1 3 307.296 3.786 20 0 DHADHM COc1cc(F)c(Nc2cc(=O)[n-]n2C2CCCC2)c(F)c1 ZINC001175720347 1035090846 /nfs/dbraw/zinc/09/08/46/1035090846.db2.gz GHMCBUGANXPWIJ-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM CN(C)C(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1 ZINC001176203258 1035222663 /nfs/dbraw/zinc/22/26/63/1035222663.db2.gz DDRCWBWJXRNGLP-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM CN(C)C(=O)c1ccc(Nc2cccc([O-])c2Cl)c(F)c1 ZINC001176206287 1035223318 /nfs/dbraw/zinc/22/33/18/1035223318.db2.gz QRLNPYUQHDLVHZ-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM COc1c(Cl)cc(Nc2cc(=O)[n-]c(C)n2)cc1Cl ZINC001176306987 1035249628 /nfs/dbraw/zinc/24/96/28/1035249628.db2.gz BWXBNADFMBCTLA-UHFFFAOYSA-N -1 3 300.145 3.550 20 0 DHADHM Cn1cc(Nc2cc(F)c([O-])c(F)c2)c(-c2ccccc2)n1 ZINC001176568726 1035297742 /nfs/dbraw/zinc/29/77/42/1035297742.db2.gz ASFNOFOUSHWTDO-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM CC(C)CCCCCC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858550 1035336168 /nfs/dbraw/zinc/33/61/68/1035336168.db2.gz CDYWGSKCVOTODD-UHFFFAOYSA-N -1 3 317.433 3.508 20 0 DHADHM Cc1cnccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000904002240 1035337161 /nfs/dbraw/zinc/33/71/61/1035337161.db2.gz QQZAGEJAPPSTIL-SFHVURJKSA-N -1 3 312.413 3.819 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H](CC(=O)[O-])C2CCCC2)cs1 ZINC000904040432 1035351137 /nfs/dbraw/zinc/35/11/37/1035351137.db2.gz DFLUUFGSICHZLV-ZDUSSCGKSA-N -1 3 310.463 3.564 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904042330 1035351757 /nfs/dbraw/zinc/35/17/57/1035351757.db2.gz CPZKZEZVJZQBOF-KRWDZBQOSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)c(C)c1 ZINC000904045874 1035353014 /nfs/dbraw/zinc/35/30/14/1035353014.db2.gz QNGWVXVAGHEZKU-QGZVFWFLSA-N -1 3 301.361 3.748 20 0 DHADHM Cc1cnc(CNC(=O)c2cc3sccc3c([O-])c2)c(C)c1 ZINC001177371966 1035365509 /nfs/dbraw/zinc/36/55/09/1035365509.db2.gz BYOILWHLVSDFOX-UHFFFAOYSA-N -1 3 312.394 3.549 20 0 DHADHM CCCC1CCC(N(C)C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436611068 1035413742 /nfs/dbraw/zinc/41/37/42/1035413742.db2.gz UUKIAALQUHEFCE-UHFFFAOYSA-N -1 3 319.401 3.552 20 0 DHADHM [O-]c1ccc(Cc2nc(Cc3ccc(Cl)cc3)no2)cc1F ZINC000904545779 1035424961 /nfs/dbraw/zinc/42/49/61/1035424961.db2.gz KHKSBBJPTBCKNB-UHFFFAOYSA-N -1 3 318.735 3.749 20 0 DHADHM N[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCCCC1 ZINC000904691096 1035440819 /nfs/dbraw/zinc/44/08/19/1035440819.db2.gz WIJHXXXFGFUAGO-AWEZNQCLSA-N -1 3 305.353 3.552 20 0 DHADHM [O-]c1cccc(CNc2cc(Cl)ccn2)c1Br ZINC001179006522 1035460370 /nfs/dbraw/zinc/46/03/70/1035460370.db2.gz IROZFUPADQVXOE-UHFFFAOYSA-N -1 3 313.582 3.815 20 0 DHADHM Cc1ccc(Cl)c(CC(=O)Nc2ccc(F)c([O-])c2)c1F ZINC001179976388 1035551619 /nfs/dbraw/zinc/55/16/19/1035551619.db2.gz SZBFARFLUBBWCJ-UHFFFAOYSA-N -1 3 311.715 3.813 20 0 DHADHM CCC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001193445380 1035629341 /nfs/dbraw/zinc/62/93/41/1035629341.db2.gz TYXLQQYJGRNKFF-UHFFFAOYSA-N -1 3 307.818 3.584 20 0 DHADHM C[C@H](N[C@@H]1CC[C@@H](C(F)(F)C(=O)[O-])C1)c1c(F)cccc1F ZINC000905726371 1035629261 /nfs/dbraw/zinc/62/92/61/1035629261.db2.gz BAVLKOOWMREEAG-IVZWLZJFSA-N -1 3 319.298 3.504 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(Cl)cncc1Cl ZINC000485501459 1035690565 /nfs/dbraw/zinc/69/05/65/1035690565.db2.gz GILMOPJKRCFJGG-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM COc1cc(CNC(=O)OC2CCCCC2)cc(Cl)c1[O-] ZINC001193651700 1035693916 /nfs/dbraw/zinc/69/39/16/1035693916.db2.gz YAFWVFHXYPYFTA-UHFFFAOYSA-N -1 3 313.781 3.613 20 0 DHADHM CCCCCOC(=O)Nc1cc(Br)ccc1[O-] ZINC001193767965 1035732610 /nfs/dbraw/zinc/73/26/10/1035732610.db2.gz AKPPYOHGKHEULY-UHFFFAOYSA-N -1 3 302.168 3.893 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001193923126 1035771766 /nfs/dbraw/zinc/77/17/66/1035771766.db2.gz WLECSNYJRXTENB-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C ZINC000192711140 1035813903 /nfs/dbraw/zinc/81/39/03/1035813903.db2.gz DIZSZQWSVHVZKR-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM CCCCCCOC(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001194204196 1035876176 /nfs/dbraw/zinc/87/61/76/1035876176.db2.gz SPDGXACGMVLYDZ-UHFFFAOYSA-N -1 3 315.797 3.861 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(F)ccc1N1CCCC1 ZINC001194467681 1035933775 /nfs/dbraw/zinc/93/37/75/1035933775.db2.gz KQALRLUASSVJSV-UHFFFAOYSA-N -1 3 318.323 3.523 20 0 DHADHM CCc1ccc2c(c1)CN(C(=O)c1cccc(CC)c1[O-])CC2 ZINC001181679912 1035964024 /nfs/dbraw/zinc/96/40/24/1035964024.db2.gz GXDUYFGUUJANKM-UHFFFAOYSA-N -1 3 309.409 3.716 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2c1CCC2 ZINC001194602113 1035966962 /nfs/dbraw/zinc/96/69/62/1035966962.db2.gz FXRPOWHOJYWXSN-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM CCOc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642694 1035976994 /nfs/dbraw/zinc/97/69/94/1035976994.db2.gz LQOICSYLLULYFN-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM COc1cccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153490337 1036035306 /nfs/dbraw/zinc/03/53/06/1036035306.db2.gz VHRPIXJBSWHVML-SNVBAGLBSA-N -1 3 305.761 3.796 20 0 DHADHM CSc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486073132 1036118631 /nfs/dbraw/zinc/11/86/31/1036118631.db2.gz CEOKUUUYMDOLSQ-DJWKRKHSSA-N -1 3 321.405 3.724 20 0 DHADHM CC(C)Oc1ccccc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195072552 1036125703 /nfs/dbraw/zinc/12/57/03/1036125703.db2.gz PMTCZALDTCCVFD-UHFFFAOYSA-N -1 3 315.511 3.554 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000907139454 1036153400 /nfs/dbraw/zinc/15/34/00/1036153400.db2.gz HDRRRFHQZDCOLC-LLVKDONJSA-N -1 3 309.793 3.724 20 0 DHADHM COc1cccc(Cl)c1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000228804931 1036205221 /nfs/dbraw/zinc/20/52/21/1036205221.db2.gz VJRFGXDOOSUWBL-GFCCVEGCSA-N -1 3 311.809 3.568 20 0 DHADHM Cc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000642323974 1036247618 /nfs/dbraw/zinc/24/76/18/1036247618.db2.gz JIULPBGLSMIJHS-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM FC(F)(F)c1ccnc([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168478025 1036273752 /nfs/dbraw/zinc/27/37/52/1036273752.db2.gz HCBFJLBYFQSRTO-VIFPVBQESA-N -1 3 322.212 3.606 20 0 DHADHM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195802838 1036354304 /nfs/dbraw/zinc/35/43/04/1036354304.db2.gz OFZPJGXWFQLLTH-UHFFFAOYSA-N -1 3 305.399 3.625 20 0 DHADHM Cc1ccc(C(C)C)cc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195802838 1036354321 /nfs/dbraw/zinc/35/43/21/1036354321.db2.gz OFZPJGXWFQLLTH-UHFFFAOYSA-N -1 3 305.399 3.625 20 0 DHADHM CCC[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccc(C)c1 ZINC001195843116 1036364172 /nfs/dbraw/zinc/36/41/72/1036364172.db2.gz VSRSDBYNZRKMQF-QGZVFWFLSA-N -1 3 319.426 3.520 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC001182540578 1036385292 /nfs/dbraw/zinc/38/52/92/1036385292.db2.gz HZEJKGJHBMYGPG-QWHCGFSZSA-N -1 3 305.418 3.680 20 0 DHADHM Cc1ccc(CC(=O)[N-]O[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000775681070 1036411520 /nfs/dbraw/zinc/41/15/20/1036411520.db2.gz NAALWRAPUQFOPG-SFHVURJKSA-N -1 3 313.372 3.802 20 0 DHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000669918372 1036463235 /nfs/dbraw/zinc/46/32/35/1036463235.db2.gz FMXYRJWUDUQXTB-LLVKDONJSA-N -1 3 307.390 3.793 20 0 DHADHM O=C(NCCCC1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053501026 1036475969 /nfs/dbraw/zinc/47/59/69/1036475969.db2.gz HUPBTZSZEDBPQC-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM CCc1c(Cl)cc(NC[C@@H](O)C(F)(F)F)c([O-])c1Cl ZINC001250985192 1036488933 /nfs/dbraw/zinc/48/89/33/1036488933.db2.gz PKZXBNMDFGCCBQ-MRVPVSSYSA-N -1 3 318.122 3.597 20 0 DHADHM Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])c(CN(C)C)c1 ZINC000775743313 1036615329 /nfs/dbraw/zinc/61/53/29/1036615329.db2.gz FAYPYMRANVWHDC-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2ccnc(Cl)c2Cl)n1 ZINC000913809844 1036730327 /nfs/dbraw/zinc/73/03/27/1036730327.db2.gz YINOVHGILLLFJT-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775769523 1036745651 /nfs/dbraw/zinc/74/56/51/1036745651.db2.gz QYEKDICVZJJCBC-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CCN(c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1)C(C)C ZINC000153572278 1036821005 /nfs/dbraw/zinc/82/10/05/1036821005.db2.gz OASOKZXIDOFKCJ-INIZCTEOSA-N -1 3 321.421 3.501 20 0 DHADHM CCN(c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1)C(C)C ZINC000153572278 1036821030 /nfs/dbraw/zinc/82/10/30/1036821030.db2.gz OASOKZXIDOFKCJ-INIZCTEOSA-N -1 3 321.421 3.501 20 0 DHADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001185233303 1037075990 /nfs/dbraw/zinc/07/59/90/1037075990.db2.gz UGJLZCSXGJQLBR-JTQLQIEISA-N -1 3 309.884 3.957 20 0 DHADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001185231472 1037076079 /nfs/dbraw/zinc/07/60/79/1037076079.db2.gz AXXHYGFQDBLQQR-GFCCVEGCSA-N -1 3 318.870 3.538 20 0 DHADHM CCOCc1ccccc1CNCc1cccc([O-])c1Cl ZINC000393343570 1037110195 /nfs/dbraw/zinc/11/01/95/1037110195.db2.gz BWFFZBVJYWPBDT-UHFFFAOYSA-N -1 3 305.805 3.872 20 0 DHADHM CC(C)CO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000153660651 1037110518 /nfs/dbraw/zinc/11/05/18/1037110518.db2.gz XSGORUSWDLWLEM-UHFFFAOYSA-N -1 3 322.792 3.631 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(F)cc3C)no2)c1[O-] ZINC000316830970 1037156628 /nfs/dbraw/zinc/15/66/28/1037156628.db2.gz LMHZTWFAJYNRHQ-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)Nc1c(F)cc(F)cc1F ZINC001186056053 1037307582 /nfs/dbraw/zinc/30/75/82/1037307582.db2.gz ASHHZSXMHKHXKG-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM O=C(NCCc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC001186275828 1037354400 /nfs/dbraw/zinc/35/44/00/1037354400.db2.gz RTEQUKSZIPQYLT-UHFFFAOYSA-N -1 3 308.740 3.549 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CCCSC(C)(C)C)n[n-]2)o1 ZINC000152567368 1037423930 /nfs/dbraw/zinc/42/39/30/1037423930.db2.gz GYKIMFNSRAIWBC-UHFFFAOYSA-N -1 3 322.434 3.624 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2cc(-c3ccccc3)no2)n1 ZINC000763216841 1037499714 /nfs/dbraw/zinc/49/97/14/1037499714.db2.gz QDOKDIHFWSAAPI-UHFFFAOYSA-N -1 3 313.382 3.579 20 0 DHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2ncc(C(C)(C)C)o2)n1 ZINC000763219438 1037511689 /nfs/dbraw/zinc/51/16/89/1037511689.db2.gz YZWMUPPCQQNYCW-JTQLQIEISA-N -1 3 307.419 3.771 20 0 DHADHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001187137858 1037581245 /nfs/dbraw/zinc/58/12/45/1037581245.db2.gz KMGHSCAWBWCQDJ-GHMZBOCLSA-N -1 3 321.895 3.957 20 0 DHADHM Cc1cc2occ(CC(=O)[N-]OCc3ccccc3)c2cc1C ZINC000031616263 1037606139 /nfs/dbraw/zinc/60/61/39/1037606139.db2.gz YNWQNUJXZIAVJO-UHFFFAOYSA-N -1 3 309.365 3.840 20 0 DHADHM [O-]c1c(F)cc(Br)cc1NC1=CCSCC1 ZINC001201345572 1037620884 /nfs/dbraw/zinc/62/08/84/1037620884.db2.gz GJERGMFQIORCDK-UHFFFAOYSA-N -1 3 304.184 3.727 20 0 DHADHM CC(C)Oc1cncc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001201542325 1037749173 /nfs/dbraw/zinc/74/91/73/1037749173.db2.gz KRARYXKHTBNQLV-UHFFFAOYSA-N -1 3 310.357 3.504 20 0 DHADHM O=C(c1cc(Cl)ccc1Nc1cncc([O-])c1)C(F)(F)F ZINC001201641873 1037831853 /nfs/dbraw/zinc/83/18/53/1037831853.db2.gz URSMFWHMYKEKEQ-UHFFFAOYSA-N -1 3 316.666 3.929 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccoc2)c(Cl)cc1Cl ZINC001188608168 1037931929 /nfs/dbraw/zinc/93/19/29/1037931929.db2.gz SIQFKXIUENNBBQ-UHFFFAOYSA-N -1 3 306.170 3.696 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC001188655735 1037943073 /nfs/dbraw/zinc/94/30/73/1037943073.db2.gz YQNJFDABNCLAMG-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM O=C([N-]c1cc(-c2ccncc2)no1)Nc1ccc(F)cc1F ZINC001202012744 1037964951 /nfs/dbraw/zinc/96/49/51/1037964951.db2.gz BIWBOLRKFADSTR-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM CCOc1ccccc1NC(=O)[N-]c1cc(-c2ccncc2)no1 ZINC001202139878 1038059266 /nfs/dbraw/zinc/05/92/66/1038059266.db2.gz ZFPQEBKMCHMUIF-UHFFFAOYSA-N -1 3 324.340 3.779 20 0 DHADHM Cc1cccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c1F ZINC001189120430 1038075286 /nfs/dbraw/zinc/07/52/86/1038075286.db2.gz WGHKLENMRBGHJL-UHFFFAOYSA-N -1 3 310.328 3.876 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(C)C)cc32)o1 ZINC000494373674 1038078993 /nfs/dbraw/zinc/07/89/93/1038078993.db2.gz ZZKDVQBIRDFNNH-MRXNPFEDSA-N -1 3 319.426 3.677 20 0 DHADHM O=C([N-]c1cc(-c2ccc(F)cc2)no1)Nc1nccs1 ZINC001189344328 1038133885 /nfs/dbraw/zinc/13/38/85/1038133885.db2.gz NPSTVYOZMJXYBT-UHFFFAOYSA-N -1 3 304.306 3.581 20 0 DHADHM CSCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000066778516 1038181169 /nfs/dbraw/zinc/18/11/69/1038181169.db2.gz FERFKWLBAJOKOT-UHFFFAOYSA-N -1 3 324.405 3.643 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2ncoc2C(F)(F)F)n1 ZINC000667018693 1038210793 /nfs/dbraw/zinc/21/07/93/1038210793.db2.gz AAFBEYQBKMMDGK-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM Cc1c([O-])ccc2c(CN3C[C@@H](C)c4ccccc43)cc(=O)oc12 ZINC000917116143 1038225869 /nfs/dbraw/zinc/22/58/69/1038225869.db2.gz LLHCPXKDXNKFNZ-GFCCVEGCSA-N -1 3 321.376 3.931 20 0 DHADHM O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cnc[n-]c1=O ZINC001190399579 1038305998 /nfs/dbraw/zinc/30/59/98/1038305998.db2.gz INHYNCAQUMHJPV-UHFFFAOYSA-N -1 3 322.324 3.619 20 0 DHADHM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917828 1038407592 /nfs/dbraw/zinc/40/75/92/1038407592.db2.gz HIABXTHREYKLTE-UHFFFAOYSA-N -1 3 318.804 3.500 20 0 DHADHM Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccn12 ZINC000080460415 1038461458 /nfs/dbraw/zinc/46/14/58/1038461458.db2.gz CEJWWJHFXGFNAT-GFCCVEGCSA-N -1 3 324.409 3.713 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)NC1CCCCCC1 ZINC001191236623 1038473134 /nfs/dbraw/zinc/47/31/34/1038473134.db2.gz JCLDZWREBBUCNT-UHFFFAOYSA-N -1 3 305.403 3.846 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000669356309 1038621504 /nfs/dbraw/zinc/62/15/04/1038621504.db2.gz XIVHRIPEUYMNLD-SJKOYZFVSA-N -1 3 313.422 3.947 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC001192335995 1038628936 /nfs/dbraw/zinc/62/89/36/1038628936.db2.gz QNUMAGPIEMTFGE-MRXNPFEDSA-N -1 3 324.424 3.892 20 0 DHADHM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)C1 ZINC001192338214 1038632291 /nfs/dbraw/zinc/63/22/91/1038632291.db2.gz YUSAIPJFOSIVHI-NXEZZACHSA-N -1 3 321.895 3.752 20 0 DHADHM O=C(Nc1cncc([O-])c1)c1ccc(Oc2ccc(O)cc2)cc1 ZINC001192431806 1038648596 /nfs/dbraw/zinc/64/85/96/1038648596.db2.gz IYXALIUCNZXMAP-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM COc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000591126421 1038761974 /nfs/dbraw/zinc/76/19/74/1038761974.db2.gz APYDSSAYZJTUIV-UHFFFAOYSA-N -1 3 302.399 3.502 20 0 DHADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1F ZINC000669472749 1039411232 /nfs/dbraw/zinc/41/12/32/1039411232.db2.gz RQHSQAPUPREIMS-CYBMUJFWSA-N -1 3 323.389 3.592 20 0 DHADHM O=C(OCc1c(Cl)ccc2cccnc21)c1ccc([O-])cc1 ZINC000058651183 1039432741 /nfs/dbraw/zinc/43/27/41/1039432741.db2.gz WQHJQOAFGSJTBL-UHFFFAOYSA-N -1 3 313.740 3.951 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3CC2)c([O-])c1 ZINC000604790325 1039537772 /nfs/dbraw/zinc/53/77/72/1039537772.db2.gz OCPVXNDHDUGSTJ-UHFFFAOYSA-N -1 3 309.409 3.757 20 0 DHADHM CCCc1ccc(-c2ccc(NC(=O)c3cnn[n-]3)cc2)cc1 ZINC000605537016 1039712836 /nfs/dbraw/zinc/71/28/36/1039712836.db2.gz KJOLQCQPLFDRAK-UHFFFAOYSA-N -1 3 306.369 3.677 20 0 DHADHM CCCc1ccc(-c2ccc(NC(=O)c3c[n-]nn3)cc2)cc1 ZINC000605537016 1039712852 /nfs/dbraw/zinc/71/28/52/1039712852.db2.gz KJOLQCQPLFDRAK-UHFFFAOYSA-N -1 3 306.369 3.677 20 0 DHADHM CCCc1ccc(-c2ccc(NC(=O)c3cn[n-]n3)cc2)cc1 ZINC000605537016 1039712865 /nfs/dbraw/zinc/71/28/65/1039712865.db2.gz KJOLQCQPLFDRAK-UHFFFAOYSA-N -1 3 306.369 3.677 20 0 DHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000230406481 1039780446 /nfs/dbraw/zinc/78/04/46/1039780446.db2.gz LEXXZFNPESQNRO-UHFFFAOYSA-N -1 3 324.833 3.968 20 0 DHADHM CC(C)c1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536846 1039921749 /nfs/dbraw/zinc/92/17/49/1039921749.db2.gz QLMNOVHVNQJYGR-UHFFFAOYSA-N -1 3 315.388 3.904 20 0 DHADHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669057 1039947051 /nfs/dbraw/zinc/94/70/51/1039947051.db2.gz DOSORPYCVTXNKY-GOEBONIOSA-N -1 3 322.424 3.935 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000606714865 1039962152 /nfs/dbraw/zinc/96/21/52/1039962152.db2.gz KBCXWEBVTQQWLF-MRXNPFEDSA-N -1 3 320.408 3.786 20 0 DHADHM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc(C)c1 ZINC000606771340 1039965323 /nfs/dbraw/zinc/96/53/23/1039965323.db2.gz WQDSVVUXRDLQOJ-ZDUSSCGKSA-N -1 3 323.421 3.678 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1 ZINC000607549324 1040192685 /nfs/dbraw/zinc/19/26/85/1040192685.db2.gz HJZYZPNZLMBYNO-UHFFFAOYSA-N -1 3 315.369 3.830 20 0 DHADHM O=C([O-])[C@H](CCNCc1sccc1Cl)Cc1ccccc1 ZINC000417561831 334982050 /nfs/dbraw/zinc/98/20/50/334982050.db2.gz IKJHKXQWYOJSGF-CYBMUJFWSA-N -1 3 323.845 3.825 20 0 DHADHM O=C(NCCCCC1CCCC1)c1c[n-]c2ccccc2c1=O ZINC000081360431 192255500 /nfs/dbraw/zinc/25/55/00/192255500.db2.gz QLNRALOXHOBVDV-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM Cc1ncsc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000417566186 334990919 /nfs/dbraw/zinc/99/09/19/334990919.db2.gz IBJGTFLJVNFGRO-HNNXBMFYSA-N -1 3 318.442 3.881 20 0 DHADHM O=C(CC[C@@H]1CCCCO1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134214514 334992939 /nfs/dbraw/zinc/99/29/39/334992939.db2.gz IYKZRZOVFYVNCJ-NSHDSACASA-N -1 3 317.307 3.699 20 0 DHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922114 338439414 /nfs/dbraw/zinc/43/94/14/338439414.db2.gz AEEFMIMAXZDZDE-BDAKNGLRSA-N -1 3 305.296 3.912 20 0 DHADHM CC(C)c1cnc(CN[C@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000417616121 335009055 /nfs/dbraw/zinc/00/90/55/335009055.db2.gz ATWWFFOTCLDLJE-STQMWFEESA-N -1 3 310.463 3.780 20 0 DHADHM CC(C)(C)c1nc(CN[C@H]2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000417619219 335013299 /nfs/dbraw/zinc/01/32/99/335013299.db2.gz DUCDOMQYCDIDDX-JSGCOSHPSA-N -1 3 324.490 3.954 20 0 DHADHM O=C([O-])C1(CNCc2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000417613633 335011711 /nfs/dbraw/zinc/01/17/11/335011711.db2.gz DHZCFIWEIYBENF-UHFFFAOYSA-N -1 3 321.726 3.703 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417625934 335015699 /nfs/dbraw/zinc/01/56/99/335015699.db2.gz QNXMQJMMEIIAEB-SECBINFHSA-N -1 3 308.180 3.866 20 0 DHADHM O=C([O-])CC[C@H]1CCCC[C@H]1NCc1ccsc1Cl ZINC000417626116 335015730 /nfs/dbraw/zinc/01/57/30/335015730.db2.gz MSEJZQYCLMONEX-ZYHUDNBSSA-N -1 3 301.839 3.915 20 0 DHADHM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2ccccc2)cc1F ZINC000417627681 335016715 /nfs/dbraw/zinc/01/67/15/335016715.db2.gz SVTGFKRSQPERGO-GOSISDBHSA-N -1 3 313.372 3.836 20 0 DHADHM CCc1ccc(-c2ccc(CN[C@H]3C=C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000417623219 335018170 /nfs/dbraw/zinc/01/81/70/335018170.db2.gz PEVIQBROQNEJPJ-CVEARBPZSA-N -1 3 311.381 3.628 20 0 DHADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(C3CC3)cc2)c2ccccc21 ZINC000417629971 335018935 /nfs/dbraw/zinc/01/89/35/335018935.db2.gz QOFFEVMIMQTGHN-RTBURBONSA-N -1 3 307.393 3.967 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000019807269 182152965 /nfs/dbraw/zinc/15/29/65/182152965.db2.gz WECWXXLIQQPVDO-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM O=S(=O)([N-]CC1CCCCC1)c1c(Cl)cccc1Cl ZINC000023019610 182344704 /nfs/dbraw/zinc/34/47/04/182344704.db2.gz YKWBYUBMIACKDF-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM Cc1ccc(F)c(CN[C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000417649032 335030096 /nfs/dbraw/zinc/03/00/96/335030096.db2.gz IMGZQOHEJRTPJI-SFHVURJKSA-N -1 3 315.388 3.536 20 0 DHADHM C[C@H]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000442928013 338439697 /nfs/dbraw/zinc/43/96/97/338439697.db2.gz AADNSMQNDPKLFQ-IUCAKERBSA-N -1 3 303.280 3.666 20 0 DHADHM Cc1ccc(NC(=O)c2cc(Br)ccc2F)c([O-])c1 ZINC000040413264 183062861 /nfs/dbraw/zinc/06/28/61/183062861.db2.gz GDYVLQIOGAJNMF-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000041625983 183212028 /nfs/dbraw/zinc/21/20/28/183212028.db2.gz FUOMMSINRRVCBO-UHFFFAOYSA-N -1 3 318.442 3.676 20 0 DHADHM CC(C)[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442929282 338439832 /nfs/dbraw/zinc/43/98/32/338439832.db2.gz CYLARODKHDAJJV-VIFPVBQESA-N -1 3 305.296 3.912 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC(=O)[C@H](C)C2)c([O-])c(C(C)C)c1 ZINC000193927698 335055044 /nfs/dbraw/zinc/05/50/44/335055044.db2.gz SPHHQANMOMOLFF-CYBMUJFWSA-N -1 3 317.429 3.690 20 0 DHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)CC1CCCC1 ZINC000064021180 335061820 /nfs/dbraw/zinc/06/18/20/335061820.db2.gz RLIFBVXWKOWJID-UHFFFAOYSA-N -1 3 311.385 3.704 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([O-])c(C)c2)s1 ZINC000272523925 130037487 /nfs/dbraw/zinc/03/74/87/130037487.db2.gz NYOPOSNLOSKSBI-GFCCVEGCSA-N -1 3 318.442 3.861 20 0 DHADHM COc1cc(C(=O)N(C2CC2)C2CCC(C)CC2)ccc1[O-] ZINC000272647753 130049535 /nfs/dbraw/zinc/04/95/35/130049535.db2.gz ZRCPVVJLFOOWNS-UHFFFAOYSA-N -1 3 303.402 3.584 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(C(F)F)ccc1Cl ZINC000274787788 130262215 /nfs/dbraw/zinc/26/22/15/130262215.db2.gz BHJFNTDSSFMGFT-LLVKDONJSA-N -1 3 320.723 3.857 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(C(F)F)ccc1Cl ZINC000274787788 130262216 /nfs/dbraw/zinc/26/22/16/130262216.db2.gz BHJFNTDSSFMGFT-LLVKDONJSA-N -1 3 320.723 3.857 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc(Cl)n1 ZINC000275097186 130291879 /nfs/dbraw/zinc/29/18/79/130291879.db2.gz BQSOYGYOTJVOSM-SNVBAGLBSA-N -1 3 316.788 3.903 20 0 DHADHM C[C@H](CCCNCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000277187475 130589102 /nfs/dbraw/zinc/58/91/02/130589102.db2.gz FSADEZUOXODNLK-GFCCVEGCSA-N -1 3 305.349 3.676 20 0 DHADHM CCOc1cc(CN(CC)Cc2ccccn2)cc(Cl)c1[O-] ZINC000284250008 131063752 /nfs/dbraw/zinc/06/37/52/131063752.db2.gz RGGBFPQDUWISEM-UHFFFAOYSA-N -1 3 320.820 3.861 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N3[C@H](C)CCC[C@H]3C)c[n-]c12 ZINC000286080450 131218806 /nfs/dbraw/zinc/21/88/06/131218806.db2.gz JSGJJFLYLIJKRJ-VXGBXAGGSA-N -1 3 316.376 3.791 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000287199681 131268501 /nfs/dbraw/zinc/26/85/01/131268501.db2.gz ZAGLCUCNBQBTRF-UHFFFAOYSA-N -1 3 324.446 3.811 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(C2CCCCC2)[nH]n1 ZINC000340312980 131375250 /nfs/dbraw/zinc/37/52/50/131375250.db2.gz CGAUOXBPKPNHHE-UHFFFAOYSA-N -1 3 303.337 3.554 20 0 DHADHM CCOc1cc(CNc2cccc(CO)c2)cc(Cl)c1[O-] ZINC000298048548 132045467 /nfs/dbraw/zinc/04/54/67/132045467.db2.gz IIKTYELVEAGQGG-UHFFFAOYSA-N -1 3 307.777 3.549 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c1[O-] ZINC000121736683 132159123 /nfs/dbraw/zinc/15/91/23/132159123.db2.gz AGXWTGXHXFFPEV-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM C[C@@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC000340701057 132164106 /nfs/dbraw/zinc/16/41/06/132164106.db2.gz SOJOEZQHHRIKTP-LLVKDONJSA-N -1 3 301.773 3.633 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(Cc3ccccc3)n2)no1 ZINC000606888372 430556541 /nfs/dbraw/zinc/55/65/41/430556541.db2.gz NAKDAAIJDGYJFA-UHFFFAOYSA-N -1 3 313.382 3.537 20 0 DHADHM O=C(Nc1ccc([O-])cc1Cl)c1ccc(NCC2CC2)nc1 ZINC000616941093 430589340 /nfs/dbraw/zinc/58/93/40/430589340.db2.gz REVQASHKXLEWKY-UHFFFAOYSA-N -1 3 317.776 3.515 20 0 DHADHM CSc1ccc(C(=O)[N-]c2nnc(CCC(C)C)s2)o1 ZINC000617096328 435367293 /nfs/dbraw/zinc/36/72/93/435367293.db2.gz PZMUDOKXJJQAAQ-UHFFFAOYSA-N -1 3 311.432 3.694 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCC[C@H](F)C2)c1Br ZINC000583933947 331474647 /nfs/dbraw/zinc/47/46/47/331474647.db2.gz DYEPRTDTQVTEEK-WDEREUQCSA-N -1 3 302.187 3.525 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000183283620 331555772 /nfs/dbraw/zinc/55/57/72/331555772.db2.gz SCRFSTWUPLNEPE-CHWSQXEVSA-N -1 3 305.736 3.927 20 0 DHADHM Cc1nc(C(=O)Nc2ccc(C)cc2[O-])c(-c2ccccc2)o1 ZINC000186305298 332921980 /nfs/dbraw/zinc/92/19/80/332921980.db2.gz NZLIWGDUXFEMSA-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000556892520 331750495 /nfs/dbraw/zinc/75/04/95/331750495.db2.gz KXAZQSVGVJJXLL-SNVBAGLBSA-N -1 3 317.772 3.990 20 0 DHADHM O=C([O-])CCCCCCCNCc1cc(Cl)ccc1F ZINC000277195183 331764076 /nfs/dbraw/zinc/76/40/76/331764076.db2.gz GEHGIQZBJYMZGJ-UHFFFAOYSA-N -1 3 301.789 3.994 20 0 DHADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000255538276 331765807 /nfs/dbraw/zinc/76/58/07/331765807.db2.gz VRNMTFDMTNOSCH-KTKRTIGZSA-N -1 3 304.349 3.901 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc2cccnc12 ZINC000426767118 331777401 /nfs/dbraw/zinc/77/74/01/331777401.db2.gz KLHDKKZQMYESPA-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc2n[n-]nc2c1 ZINC000409650977 332043733 /nfs/dbraw/zinc/04/37/33/332043733.db2.gz VNIFFMYAVZWQOZ-GOSISDBHSA-N -1 3 320.396 3.619 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2nc(C)cc(C3CC3)n2)on1 ZINC000518458025 332051437 /nfs/dbraw/zinc/05/14/37/332051437.db2.gz KINMBTVHJGLLGJ-UHFFFAOYSA-N -1 3 314.389 3.806 20 0 DHADHM CCO[C@@H](CC(=O)Nc1c([O-])cccc1Cl)C1=CCCC1 ZINC000569376621 332067925 /nfs/dbraw/zinc/06/79/25/332067925.db2.gz BMWLOAKHGAXTHN-AWEZNQCLSA-N -1 3 309.793 3.890 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(OC)c(Cl)c2)c1 ZINC000092599352 332128776 /nfs/dbraw/zinc/12/87/76/332128776.db2.gz GHHSFTRPLPLYNB-UHFFFAOYSA-N -1 3 319.788 3.893 20 0 DHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426786581 332153327 /nfs/dbraw/zinc/15/33/27/332153327.db2.gz WPVDJYRSEGWXLW-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426786362 332153338 /nfs/dbraw/zinc/15/33/38/332153338.db2.gz VAYBRQPDRQWAKQ-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM CC(C)[C@@H](CC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000426832219 332156185 /nfs/dbraw/zinc/15/61/85/332156185.db2.gz IGJCOVXJEKWTML-GFCCVEGCSA-N -1 3 323.742 3.948 20 0 DHADHM CC(C)[C@H](CC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000426832220 332156309 /nfs/dbraw/zinc/15/63/09/332156309.db2.gz IGJCOVXJEKWTML-LBPRGKRZSA-N -1 3 323.742 3.948 20 0 DHADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000427218667 332184522 /nfs/dbraw/zinc/18/45/22/332184522.db2.gz MNYUKNUVDBHYSW-CQSZACIVSA-N -1 3 323.314 3.543 20 0 DHADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000560425031 332338578 /nfs/dbraw/zinc/33/85/78/332338578.db2.gz PFKWPBOADNDXMI-MWLCHTKSSA-N -1 3 310.191 3.696 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1[O-] ZINC000560456843 332340839 /nfs/dbraw/zinc/34/08/39/332340839.db2.gz IADDFIIYUZWJOT-ZYHUDNBSSA-N -1 3 315.335 3.758 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCCC(F)(F)C2)c1F ZINC000560533822 332353756 /nfs/dbraw/zinc/35/37/56/332353756.db2.gz XVHJXQPJFHRQHT-SNVBAGLBSA-N -1 3 305.315 3.976 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1[O-] ZINC000560552484 332358821 /nfs/dbraw/zinc/35/88/21/332358821.db2.gz PMRQFFMSMLHYCV-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c([O-])c1 ZINC000560661260 332374942 /nfs/dbraw/zinc/37/49/42/332374942.db2.gz GVBGWGMOLWKHNP-AEGPPILISA-N -1 3 303.402 3.946 20 0 DHADHM CC1(C)CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000566358774 332375506 /nfs/dbraw/zinc/37/55/06/332375506.db2.gz MFOCJLUBZNNFBN-ZDUSSCGKSA-N -1 3 315.335 3.953 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000583386536 332379687 /nfs/dbraw/zinc/37/96/87/332379687.db2.gz AVLNFXOQMCEZJJ-INIZCTEOSA-N -1 3 313.397 3.741 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c([O-])c1 ZINC000150945240 332460478 /nfs/dbraw/zinc/46/04/78/332460478.db2.gz BJZONWKXSNKKGY-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]2CCC[C@@H]21 ZINC000566580513 332487074 /nfs/dbraw/zinc/48/70/74/332487074.db2.gz AEDBSTKETDFPCC-HOCLYGCPSA-N -1 3 319.420 3.891 20 0 DHADHM O=C(Nc1ccccc1[O-])c1c(F)cc(C(F)(F)F)cc1F ZINC000562043609 332537282 /nfs/dbraw/zinc/53/72/82/332537282.db2.gz GIBKHZYGGSCXFY-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM Cc1oc(CN2CCC(C)(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000565101182 332587373 /nfs/dbraw/zinc/58/73/73/332587373.db2.gz AEXKMOTXAPFROM-UHFFFAOYSA-N -1 3 313.397 3.840 20 0 DHADHM CC(C)(C)CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151594327 332592120 /nfs/dbraw/zinc/59/21/20/332592120.db2.gz NMIABQYTEFHBBW-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM Cc1ccc(S[C@H](C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531134471 332614237 /nfs/dbraw/zinc/61/42/37/332614237.db2.gz HROSNSFISGJPQZ-LLVKDONJSA-N -1 3 305.374 3.959 20 0 DHADHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)ccc1Cl ZINC000569661215 332655289 /nfs/dbraw/zinc/65/52/89/332655289.db2.gz CPISNWWDSGAUSC-UHFFFAOYSA-N -1 3 311.732 3.637 20 0 DHADHM CCc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000008061261 332957228 /nfs/dbraw/zinc/95/72/28/332957228.db2.gz AJWZBHILWWDATQ-UHFFFAOYSA-N -1 3 320.176 3.799 20 0 DHADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccnc1 ZINC000179564683 333025618 /nfs/dbraw/zinc/02/56/18/333025618.db2.gz WJQOYOIHDRXHCM-UHFFFAOYSA-N -1 3 320.348 3.856 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1-c1cc(C)cc(C)c1 ZINC000180146972 333027399 /nfs/dbraw/zinc/02/73/99/333027399.db2.gz RKZLAALBOOPYSX-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM [O-]c1cccnc1CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000580276511 333051073 /nfs/dbraw/zinc/05/10/73/333051073.db2.gz IMGNUDAFKQCQGD-UHFFFAOYSA-N -1 3 319.773 3.783 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460423235 333083336 /nfs/dbraw/zinc/08/33/36/333083336.db2.gz WXSCOBMQOKFTMI-UHFFFAOYSA-N -1 3 319.426 3.794 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460424684 333084347 /nfs/dbraw/zinc/08/43/47/333084347.db2.gz KRDOKUJIOHZEQY-UHFFFAOYSA-N -1 3 305.399 3.619 20 0 DHADHM Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1[O-] ZINC000314047217 333084446 /nfs/dbraw/zinc/08/44/46/333084446.db2.gz OBVCYKCAWHGUQN-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460440757 333088116 /nfs/dbraw/zinc/08/81/16/333088116.db2.gz YVADTYUXRRYNHG-UHFFFAOYSA-N -1 3 307.390 3.806 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C ZINC000460441414 333088287 /nfs/dbraw/zinc/08/82/87/333088287.db2.gz WLPCDAGTTYLMKC-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)c([O-])c1 ZINC000314402919 333108590 /nfs/dbraw/zinc/10/85/90/333108590.db2.gz UYWDROSIWOSWAL-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1SC(F)F ZINC000181842363 333121552 /nfs/dbraw/zinc/12/15/52/333121552.db2.gz QHPOOEFBPWQEEY-AATRIKPKSA-N -1 3 322.336 3.754 20 0 DHADHM O=C(CSCCCc1ccccc1)Nc1ccccc1[O-] ZINC000033226543 333122783 /nfs/dbraw/zinc/12/27/83/333122783.db2.gz ZBPLBPDTVJESGO-UHFFFAOYSA-N -1 3 301.411 3.697 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1cccc(OC(C)C)c1 ZINC000514442544 333133173 /nfs/dbraw/zinc/13/31/73/333133173.db2.gz WTNMQZFKKGOFIL-UHFFFAOYSA-N -1 3 321.446 3.863 20 0 DHADHM Cc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)oc1C(=O)[O-] ZINC000582067770 333196953 /nfs/dbraw/zinc/19/69/53/333196953.db2.gz IAOQAKPHEXOHGL-OCCSQVGLSA-N -1 3 317.360 3.803 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000185498033 333209266 /nfs/dbraw/zinc/20/92/66/333209266.db2.gz QEMXACZAHBXZOC-QZTJIDSGSA-N -1 3 301.361 3.541 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)c3ccccc3C)[n-]2)o1 ZINC000497742292 333285915 /nfs/dbraw/zinc/28/59/15/333285915.db2.gz KLTNPBNGOAEHBC-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)c3ccccc3C)n2)o1 ZINC000497742292 333285916 /nfs/dbraw/zinc/28/59/16/333285916.db2.gz KLTNPBNGOAEHBC-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)c3ccccc3C)n[n-]2)o1 ZINC000497742292 333285917 /nfs/dbraw/zinc/28/59/17/333285917.db2.gz KLTNPBNGOAEHBC-UHFFFAOYSA-N -1 3 324.384 3.598 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccoc1Cl ZINC000192440164 333288495 /nfs/dbraw/zinc/28/84/95/333288495.db2.gz JEDCAKFJOVHJIX-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000526058477 333292478 /nfs/dbraw/zinc/29/24/78/333292478.db2.gz BZJGKONMKFOLNZ-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365021429 333334527 /nfs/dbraw/zinc/33/45/27/333334527.db2.gz QZKIOSWDXSCGJO-YPMHNXCESA-N -1 3 313.401 3.778 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccccc2CSC)c1[O-] ZINC000185064290 333368579 /nfs/dbraw/zinc/36/85/79/333368579.db2.gz GFOCPZKLRYVXDM-UHFFFAOYSA-N -1 3 317.410 3.825 20 0 DHADHM Cc1oc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000521414078 333374801 /nfs/dbraw/zinc/37/48/01/333374801.db2.gz PSAXJTCUFJHWIT-SMDDNHRTSA-N -1 3 317.360 3.803 20 0 DHADHM CCC(CC)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187008464 333383508 /nfs/dbraw/zinc/38/35/08/333383508.db2.gz KWYJWSNDJVSFBV-UHFFFAOYSA-N -1 3 311.381 3.542 20 0 DHADHM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccccc1[O-] ZINC000563178158 333437228 /nfs/dbraw/zinc/43/72/28/333437228.db2.gz ZFJMWJSQNRNVJS-LJQANCHMSA-N -1 3 313.372 3.769 20 0 DHADHM C[C@@H]1CC[C@](CNCc2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000426638047 333511851 /nfs/dbraw/zinc/51/18/51/333511851.db2.gz HOPOYDBFGFCEGQ-BDJLRTHQSA-N -1 3 313.800 3.850 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000220046078 333574094 /nfs/dbraw/zinc/57/40/94/333574094.db2.gz SROIATIWBFRJIM-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(Br)co1 ZINC000410875869 333601764 /nfs/dbraw/zinc/60/17/64/333601764.db2.gz ZQBXGKSVRPJQSD-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2C)C2CC2)cc1[O-] ZINC000411334984 333655059 /nfs/dbraw/zinc/65/50/59/333655059.db2.gz FWEOYWKFGKBOKN-UHFFFAOYSA-N -1 3 323.392 3.708 20 0 DHADHM Cc1cccc(C)c1[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000411529888 333688881 /nfs/dbraw/zinc/68/88/81/333688881.db2.gz UDXZEMUBOJXOJU-GFCCVEGCSA-N -1 3 313.426 3.865 20 0 DHADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1cc(F)ccc1[O-] ZINC000412154944 333733746 /nfs/dbraw/zinc/73/37/46/333733746.db2.gz CVJGFFZVXLUNTI-OAHLLOKOSA-N -1 3 315.344 3.759 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1[O-] ZINC000412157747 333734051 /nfs/dbraw/zinc/73/40/51/333734051.db2.gz LJTUOUCCMQKCCQ-CHWSQXEVSA-N -1 3 311.381 3.517 20 0 DHADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000412253412 333742925 /nfs/dbraw/zinc/74/29/25/333742925.db2.gz XHUOAXIHEXTIMC-UHFFFAOYSA-N -1 3 324.739 3.914 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1nc2ccccc2cc1Cl ZINC000571337757 333758063 /nfs/dbraw/zinc/75/80/63/333758063.db2.gz XVGNXWQHDIFOPL-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H](C)c1cccnc1 ZINC000186410464 335158065 /nfs/dbraw/zinc/15/80/65/335158065.db2.gz BHODSOTZRNLSLZ-CQSZACIVSA-N -1 3 324.424 3.889 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCCC[C@H]1F ZINC000412677773 333782986 /nfs/dbraw/zinc/78/29/86/333782986.db2.gz XUNVLEZGKZSWCT-IAGOWNOFSA-N -1 3 315.388 3.875 20 0 DHADHM COc1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)ccc1[O-] ZINC000442962614 338440282 /nfs/dbraw/zinc/44/02/82/338440282.db2.gz HLTDKLLKRCVYQR-AWEZNQCLSA-N -1 3 305.418 3.689 20 0 DHADHM Cc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)c([O-])c1C ZINC000436859449 334009579 /nfs/dbraw/zinc/00/95/79/334009579.db2.gz LDFYVQYJYIILIA-UHFFFAOYSA-N -1 3 322.408 3.853 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC000271205617 334019959 /nfs/dbraw/zinc/01/99/59/334019959.db2.gz KCEIYVYXLKXEGV-KRWDZBQOSA-N -1 3 310.397 3.888 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1Cl ZINC000414599463 334034833 /nfs/dbraw/zinc/03/48/33/334034833.db2.gz ZNWFVSARHXITLB-AWEZNQCLSA-N -1 3 320.795 3.553 20 0 DHADHM CC[C@H](C)CN(C)c1ccc(F)cc1CN(C)CCCC(=O)[O-] ZINC000414636667 334049324 /nfs/dbraw/zinc/04/93/24/334049324.db2.gz KNWSRPZTOSPUEF-AWEZNQCLSA-N -1 3 324.440 3.605 20 0 DHADHM [O-]c1ccc(F)c(CNc2nnc(C3CCCCC3)o2)c1F ZINC000280939367 334121562 /nfs/dbraw/zinc/12/15/62/334121562.db2.gz HRIVZXNXBFCOJR-UHFFFAOYSA-N -1 3 309.316 3.713 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000291793359 334181930 /nfs/dbraw/zinc/18/19/30/334181930.db2.gz PAZKYXJOGVWXHR-GFCCVEGCSA-N -1 3 309.385 3.525 20 0 DHADHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000049239953 334323808 /nfs/dbraw/zinc/32/38/08/334323808.db2.gz SHAFGZPQRLEZSW-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM O=C(CCCc1cc(F)ccc1F)Nc1cc(F)ccc1[O-] ZINC000534917851 334346832 /nfs/dbraw/zinc/34/68/32/334346832.db2.gz RJCOEXOZXVELFF-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000111686811 334353583 /nfs/dbraw/zinc/35/35/83/334353583.db2.gz ITXAMMCNTSBPEL-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000532030365 334380780 /nfs/dbraw/zinc/38/07/80/334380780.db2.gz SQMHDFFEDYCAFI-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM Cc1oc2ncnc([N-]C(=O)c3nc(C(C)C)oc3C)c2c1C ZINC000340781445 334385327 /nfs/dbraw/zinc/38/53/27/334385327.db2.gz VJDRUHORIXBFBX-UHFFFAOYSA-N -1 3 314.345 3.512 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCCCS1 ZINC000341597301 334460418 /nfs/dbraw/zinc/46/04/18/334460418.db2.gz DQJURWMNCIBWAJ-LLVKDONJSA-N -1 3 305.321 3.635 20 0 DHADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncccc1[O-] ZINC000341898485 334493291 /nfs/dbraw/zinc/49/32/91/334493291.db2.gz GMPNOWABMGBOEM-SNVBAGLBSA-N -1 3 324.302 3.623 20 0 DHADHM CC(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000417020965 334689124 /nfs/dbraw/zinc/68/91/24/334689124.db2.gz FYRYQAFFMZNCGZ-UHFFFAOYSA-N -1 3 317.776 3.528 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CC[C@H]2CCCCO2)c([O-])c1 ZINC000330392394 334777178 /nfs/dbraw/zinc/77/71/78/334777178.db2.gz AQLXNJRRGZNMCY-CQSZACIVSA-N -1 3 305.418 3.978 20 0 DHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccoc1 ZINC000189765419 334913707 /nfs/dbraw/zinc/91/37/07/334913707.db2.gz KNTMKPLGTGXCBA-UHFFFAOYSA-N -1 3 319.773 3.628 20 0 DHADHM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000444256945 338470526 /nfs/dbraw/zinc/47/05/26/338470526.db2.gz BPGSLIGUYUBXDW-KOLCDFICSA-N -1 3 309.793 3.626 20 0 DHADHM C[C@@H](CSCC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000475878926 334916830 /nfs/dbraw/zinc/91/68/30/334916830.db2.gz GRWHYRKXRNHLPP-ZDUSSCGKSA-N -1 3 301.411 3.868 20 0 DHADHM CC(C)N(CCc1nccs1)C(=O)c1cc([O-])ccc1Cl ZINC000343689080 335188498 /nfs/dbraw/zinc/18/84/98/335188498.db2.gz ZUPMHQAQEFKISG-UHFFFAOYSA-N -1 3 324.833 3.595 20 0 DHADHM COc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1C1CC1 ZINC000444341228 338471594 /nfs/dbraw/zinc/47/15/94/338471594.db2.gz KOBAMSDHZTXXMH-UHFFFAOYSA-N -1 3 323.392 3.871 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)n1 ZINC000344367191 335244886 /nfs/dbraw/zinc/24/48/86/335244886.db2.gz IAEIJZNXJFFHLW-DOMZBBRYSA-N -1 3 315.417 3.619 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(F)c1F ZINC000344632134 335265423 /nfs/dbraw/zinc/26/54/23/335265423.db2.gz JTECTUMMOOYNCG-QMMMGPOBSA-N -1 3 311.715 3.815 20 0 DHADHM Cc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C ZINC000345012010 335291032 /nfs/dbraw/zinc/29/10/32/335291032.db2.gz KLDAMWSWNGDZQI-UHFFFAOYSA-N -1 3 308.378 3.566 20 0 DHADHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cccc([O-])c2)c1 ZINC000345429738 335325681 /nfs/dbraw/zinc/32/56/81/335325681.db2.gz RNYNEQWXDWWLQS-SCLBCKFNSA-N -1 3 311.381 3.624 20 0 DHADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345988198 335367864 /nfs/dbraw/zinc/36/78/64/335367864.db2.gz OWZBFXLXTRFQFL-GFCCVEGCSA-N -1 3 300.358 3.525 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1ccc([O-])cc1F ZINC000345995657 335368271 /nfs/dbraw/zinc/36/82/71/335368271.db2.gz UFTQHEVBNBMHGF-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM Cc1ccnc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)n1 ZINC000348196056 335564648 /nfs/dbraw/zinc/56/46/48/335564648.db2.gz QYAGLFYWBPHFCU-UHFFFAOYSA-N -1 3 323.327 3.969 20 0 DHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1C(C)(C)C ZINC000583528708 335678988 /nfs/dbraw/zinc/67/89/88/335678988.db2.gz IMLQYMLMBARYMC-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CC[C@@H](C)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094080075 335712524 /nfs/dbraw/zinc/71/25/24/335712524.db2.gz NLSWPNLMRBYAJS-CQSZACIVSA-N -1 3 313.397 3.842 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(-c3cnco3)cc2)c1F ZINC000350142178 335730333 /nfs/dbraw/zinc/73/03/33/335730333.db2.gz GXOJJDSOBXPVRX-UHFFFAOYSA-N -1 3 302.280 3.938 20 0 DHADHM Cc1cc(F)ccc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000350143962 335730718 /nfs/dbraw/zinc/73/07/18/335730718.db2.gz PSACLKSFIGHBST-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM COc1ccc(F)c(C(=O)[N-]c2ccsc2Cl)c1OC ZINC000350150539 335731010 /nfs/dbraw/zinc/73/10/10/335731010.db2.gz BYWADCHZDVRPDG-UHFFFAOYSA-N -1 3 315.753 3.810 20 0 DHADHM O=C(CCc1cnc2ccccc2c1)Nc1ccc([O-])cc1F ZINC000350827015 335808547 /nfs/dbraw/zinc/80/85/47/335808547.db2.gz NVWGZEXPMUDBEA-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H](c3nccs3)C2)c1Cl ZINC000351004186 336004186 /nfs/dbraw/zinc/00/41/86/336004186.db2.gz YMVSKAULRLYWSD-GFCCVEGCSA-N -1 3 308.834 3.882 20 0 DHADHM Cc1cccc2sc([N-]C(=O)c3ncc(F)cc3F)nc21 ZINC000192064002 336016968 /nfs/dbraw/zinc/01/69/68/336016968.db2.gz LEJFCMGGJZDNDQ-UHFFFAOYSA-N -1 3 305.309 3.530 20 0 DHADHM CCc1c2ccccc2oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000582221709 336023526 /nfs/dbraw/zinc/02/35/26/336023526.db2.gz SLDBKKNYWWYDKP-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM Cc1cc(CNC(=O)c2csc(=O)[n-]2)ccc1-c1ccccc1 ZINC000351490168 336037990 /nfs/dbraw/zinc/03/79/90/336037990.db2.gz DSGWUHLGDDLWFY-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM COc1ccc(OC(F)F)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000192511805 336040857 /nfs/dbraw/zinc/04/08/57/336040857.db2.gz YSPYSSPAIZJLEZ-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)cc1Cl ZINC000351703778 336060336 /nfs/dbraw/zinc/06/03/36/336060336.db2.gz RESGDSWBHCFKLL-QMMMGPOBSA-N -1 3 320.197 3.626 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(-c3csnn3)cc2)c1F ZINC000351851829 336073614 /nfs/dbraw/zinc/07/36/14/336073614.db2.gz AEFOGCSXQXFFGR-UHFFFAOYSA-N -1 3 319.336 3.801 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccco2)cc1[O-] ZINC000331915979 336152639 /nfs/dbraw/zinc/15/26/39/336152639.db2.gz JGDKGHBGEBZNQZ-HNNXBMFYSA-N -1 3 313.353 3.555 20 0 DHADHM Cc1ccccc1C1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000351931493 336180472 /nfs/dbraw/zinc/18/04/72/336180472.db2.gz MVBHAEHERRFYTK-UHFFFAOYSA-N -1 3 313.372 3.578 20 0 DHADHM C[C@@H]1CCc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)sc2C1 ZINC000352004923 336188022 /nfs/dbraw/zinc/18/80/22/336188022.db2.gz BJGCOZKKAQUMNY-BREXMAIKSA-N -1 3 313.426 3.811 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3ccncc3)cc2F)n1 ZINC000352034974 336190930 /nfs/dbraw/zinc/19/09/30/336190930.db2.gz KHLXIRZXBDNSIQ-PLNGDYQASA-N -1 3 307.328 3.862 20 0 DHADHM Cc1ccc2ccccc2c1CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000333742991 336209122 /nfs/dbraw/zinc/20/91/22/336209122.db2.gz WFGFDGZHCMAHCW-KRWDZBQOSA-N -1 3 322.412 3.699 20 0 DHADHM Cc1c2cc(C)ccc2sc1C(=O)NCc1ncccc1[O-] ZINC000352506966 336222232 /nfs/dbraw/zinc/22/22/32/336222232.db2.gz IXMUELRHHNSIRD-UHFFFAOYSA-N -1 3 312.394 3.549 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1[O-] ZINC000042373202 336239745 /nfs/dbraw/zinc/23/97/45/336239745.db2.gz XXXXOFCCKJQLFQ-JTQLQIEISA-N -1 3 305.399 3.570 20 0 DHADHM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000030372090 336255429 /nfs/dbraw/zinc/25/54/29/336255429.db2.gz PVADFQKUJHSTCI-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532838974 336272678 /nfs/dbraw/zinc/27/26/78/336272678.db2.gz FESDMELZKUWZFB-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000532836816 336272697 /nfs/dbraw/zinc/27/26/97/336272697.db2.gz DYZQPLREPNXFEE-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM O=C(NCC(C1CC1)C1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000526999452 336278983 /nfs/dbraw/zinc/27/89/83/336278983.db2.gz YWRJYKFAHMKMDD-UHFFFAOYSA-N -1 3 313.319 3.577 20 0 DHADHM CC(C)C1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000526999162 336278985 /nfs/dbraw/zinc/27/89/85/336278985.db2.gz YTNFSZCBMNETRM-UHFFFAOYSA-N -1 3 315.335 3.919 20 0 DHADHM Cc1ccc(C(=O)NCCCSc2ccccc2)c([O-])c1 ZINC000031351050 336281893 /nfs/dbraw/zinc/28/18/93/336281893.db2.gz SARYTCUHSLQWFG-UHFFFAOYSA-N -1 3 301.411 3.613 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC[C@H]3C)nc2)n1 ZINC000301172293 336293265 /nfs/dbraw/zinc/29/32/65/336293265.db2.gz KIPMMWVRMYRJHD-DOMZBBRYSA-N -1 3 312.417 3.797 20 0 DHADHM COc1cccc(-c2noc([N-]Cc3sccc3C)n2)c1 ZINC000301377090 336303434 /nfs/dbraw/zinc/30/34/34/336303434.db2.gz RWCKYYBCQLQTIL-UHFFFAOYSA-N -1 3 301.371 3.727 20 0 DHADHM CC(C)c1noc([N-][C@@H](C)c2cnn(Cc3ccccc3)c2)n1 ZINC000301843179 336333603 /nfs/dbraw/zinc/33/36/03/336333603.db2.gz KMBRDWITFMORBJ-ZDUSSCGKSA-N -1 3 311.389 3.611 20 0 DHADHM Cc1ccc(-c2noc([N-]Cc3ccc(Cl)cn3)n2)cc1 ZINC000302025239 336343822 /nfs/dbraw/zinc/34/38/22/336343822.db2.gz GMIDRNVHAIVCHX-UHFFFAOYSA-N -1 3 300.749 3.706 20 0 DHADHM Cc1ccc(-c2noc([N-][C@@H](CCCO)c3ccccc3)n2)cc1 ZINC000302033500 336344459 /nfs/dbraw/zinc/34/44/59/336344459.db2.gz JDCKIHHDYIQCKS-KRWDZBQOSA-N -1 3 323.396 3.971 20 0 DHADHM Cc1cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)ccc1[O-] ZINC000354442283 336470799 /nfs/dbraw/zinc/47/07/99/336470799.db2.gz IRHSQAZMEWGIQA-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)C[C@@H]1c1ccccc1 ZINC000355061579 336493554 /nfs/dbraw/zinc/49/35/54/336493554.db2.gz VPXXISHIPRXJBE-CRAIPNDOSA-N -1 3 315.800 3.969 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000355521121 336512811 /nfs/dbraw/zinc/51/28/11/336512811.db2.gz ZBKIMBWDNVQRKC-UHFFFAOYSA-N -1 3 310.275 3.605 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)oc2C)c(F)c1F ZINC000355852354 336524891 /nfs/dbraw/zinc/52/48/91/336524891.db2.gz CCCLZTSORCVZPK-UHFFFAOYSA-N -1 3 311.259 3.769 20 0 DHADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cccc([O-])c1 ZINC000357184277 336576196 /nfs/dbraw/zinc/57/61/96/336576196.db2.gz HQYXKVOLICRWLK-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM CC[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000357266744 336578735 /nfs/dbraw/zinc/57/87/35/336578735.db2.gz YQWOXQFWZBOYMG-YVEFUNNKSA-N -1 3 323.396 3.786 20 0 DHADHM COc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1[O-] ZINC000357596625 336591930 /nfs/dbraw/zinc/59/19/30/336591930.db2.gz PGHULSGNPQPVTB-MRXNPFEDSA-N -1 3 313.397 3.918 20 0 DHADHM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000358615728 336636933 /nfs/dbraw/zinc/63/69/33/336636933.db2.gz WQDPALPSUCDOFP-SECBINFHSA-N -1 3 307.781 3.774 20 0 DHADHM CS[C@@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000358697360 336639484 /nfs/dbraw/zinc/63/94/84/336639484.db2.gz KANLJCVMHVOMFT-QMMMGPOBSA-N -1 3 307.337 3.881 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC(F)(F)C1 ZINC000359636723 336681127 /nfs/dbraw/zinc/68/11/27/336681127.db2.gz IYVIPSIFGJAROY-ZETCQYMHSA-N -1 3 320.133 3.529 20 0 DHADHM O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccccn2)no1 ZINC000360249044 336706264 /nfs/dbraw/zinc/70/62/64/336706264.db2.gz BOXHSIBBLKVMRN-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000367886868 336831645 /nfs/dbraw/zinc/83/16/45/336831645.db2.gz RFVKKGZBZFBDMK-MRXNPFEDSA-N -1 3 322.364 3.901 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1ccc(O)cc1 ZINC000368125518 336838975 /nfs/dbraw/zinc/83/89/75/336838975.db2.gz WWVVYIIKGHPUMR-INIZCTEOSA-N -1 3 317.772 3.729 20 0 DHADHM CC(=O)c1csc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000116979634 336850420 /nfs/dbraw/zinc/85/04/20/336850420.db2.gz VCVIAGIQJWGDQK-UHFFFAOYSA-N -1 3 309.774 3.870 20 0 DHADHM COc1cc(-c2noc(-c3cccc(C)c3[O-])n2)ccc1F ZINC000389609014 336875329 /nfs/dbraw/zinc/87/53/29/336875329.db2.gz OESQYLWTTZYZPI-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CSc1ccc(C(=O)N2CC=C(c3ccccc3)C2)c([O-])c1 ZINC000370122687 336878021 /nfs/dbraw/zinc/87/80/21/336878021.db2.gz QHLNIRKOSIGCAT-UHFFFAOYSA-N -1 3 311.406 3.654 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000582306122 336906886 /nfs/dbraw/zinc/90/68/86/336906886.db2.gz BVXNSTCDILLJKJ-HIFRSBDPSA-N -1 3 309.356 3.603 20 0 DHADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000375077947 337002706 /nfs/dbraw/zinc/00/27/06/337002706.db2.gz GFOXRHBVEYZXGI-MFKMUULPSA-N -1 3 320.414 3.618 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000426752985 337044884 /nfs/dbraw/zinc/04/48/84/337044884.db2.gz BSMQFTJNODISJO-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM COC(=O)c1cnc(S[C@@H](C)c2cccc(Cl)c2F)[n-]1 ZINC000193553375 337078416 /nfs/dbraw/zinc/07/84/16/337078416.db2.gz OWJFMMQWJCCKFW-ZETCQYMHSA-N -1 3 314.769 3.842 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1[O-] ZINC000193699838 337079162 /nfs/dbraw/zinc/07/91/62/337079162.db2.gz UGFALLVOEFLMGK-INIZCTEOSA-N -1 3 313.372 3.687 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C(C)C)oc2C)c1[O-] ZINC000582693432 337123321 /nfs/dbraw/zinc/12/33/21/337123321.db2.gz ZTMCQWHFAXHLGE-UHFFFAOYSA-N -1 3 301.342 3.872 20 0 DHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000175236123 337146363 /nfs/dbraw/zinc/14/63/63/337146363.db2.gz HTACTZNSTSQDKO-MRVPVSSYSA-N -1 3 312.341 3.689 20 0 DHADHM CC(=O)c1csc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000175864379 337148691 /nfs/dbraw/zinc/14/86/91/337148691.db2.gz XXFIJZSOXFBUCD-UHFFFAOYSA-N -1 3 312.350 3.858 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000181022885 337179282 /nfs/dbraw/zinc/17/92/82/337179282.db2.gz PAOZPOFDJSHDND-LLVKDONJSA-N -1 3 322.405 3.569 20 0 DHADHM CN(C)c1ccc(NC(=O)c2cccc([O-])c2)c(C(F)(F)F)c1 ZINC000182151639 337186870 /nfs/dbraw/zinc/18/68/70/337186870.db2.gz ODIFQVFIKJOTBX-UHFFFAOYSA-N -1 3 324.302 3.729 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000182550595 337188831 /nfs/dbraw/zinc/18/88/31/337188831.db2.gz ABXIJUQDMIHBHH-CQSZACIVSA-N -1 3 318.376 3.945 20 0 DHADHM Cc1ccc2cc(C(=O)N3CCCc4cccc([O-])c43)ccc2n1 ZINC000182919142 337190808 /nfs/dbraw/zinc/19/08/08/337190808.db2.gz FQMSRZPHQURGKL-UHFFFAOYSA-N -1 3 318.376 3.842 20 0 DHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc([O-])cc1F ZINC000183256499 337192543 /nfs/dbraw/zinc/19/25/43/337192543.db2.gz CDBCWIPVBMKKKW-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1c[nH]cc1-c1ccc(F)cc1 ZINC000183285180 337192781 /nfs/dbraw/zinc/19/27/81/337192781.db2.gz GCEXDHUWQZBCRS-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM O=S(=O)(c1cccc([O-])c1)[C@@H]1CCc2c1cccc2Cl ZINC000183991762 337194254 /nfs/dbraw/zinc/19/42/54/337194254.db2.gz GVUZNFUKLSCDSN-OAHLLOKOSA-N -1 3 308.786 3.507 20 0 DHADHM O=[S@](Cc1csc(-c2cccs2)n1)c1cccc([O-])c1 ZINC000184052785 337196972 /nfs/dbraw/zinc/19/69/72/337196972.db2.gz GTVNXODQNDMDME-HXUWFJFHSA-N -1 3 321.448 3.885 20 0 DHADHM COc1cc(C(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)on1 ZINC000184613769 337199313 /nfs/dbraw/zinc/19/93/13/337199313.db2.gz KHCIGDHZEDHSGI-UHFFFAOYSA-N -1 3 320.654 3.608 20 0 DHADHM CC1CCC(N(Cc2occc2C(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000582852259 337210358 /nfs/dbraw/zinc/21/03/58/337210358.db2.gz ZSTIGDKENZIWEJ-YMAMQOFZSA-N -1 3 321.417 3.538 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1C ZINC000582986057 337222953 /nfs/dbraw/zinc/22/29/53/337222953.db2.gz CYCAHLDMTJKNEA-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1c(Br)scc1C(=O)Nc1ccccc1[O-] ZINC000186013080 337252810 /nfs/dbraw/zinc/25/28/10/337252810.db2.gz CRFJGYCWQOYFOP-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CN(Cc1ccc(Br)o1)Cc1cc([O-])cc(F)c1 ZINC000186179823 337254226 /nfs/dbraw/zinc/25/42/26/337254226.db2.gz CEVBFJFVGSRNEN-UHFFFAOYSA-N -1 3 314.154 3.519 20 0 DHADHM COc1cc(-c2noc(-c3cccc4[nH]ccc43)n2)ccc1[O-] ZINC000583178084 337255081 /nfs/dbraw/zinc/25/50/81/337255081.db2.gz IROHUQURBKMNOB-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(C)s1 ZINC000024070153 337257863 /nfs/dbraw/zinc/25/78/63/337257863.db2.gz RJMKCUBIGUWMHF-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1[O-] ZINC000187456613 337265994 /nfs/dbraw/zinc/26/59/94/337265994.db2.gz MXELPIKGVZBWSE-LBPRGKRZSA-N -1 3 317.335 3.609 20 0 DHADHM COC(=O)c1cnc(SCc2cccc(C(F)(F)F)c2)[n-]1 ZINC000187594581 337267193 /nfs/dbraw/zinc/26/71/93/337267193.db2.gz ZPSDOXMTTSIDFB-UHFFFAOYSA-N -1 3 316.304 3.507 20 0 DHADHM CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188809700 337275335 /nfs/dbraw/zinc/27/53/35/337275335.db2.gz WGHQSKUUMRWTIV-UHFFFAOYSA-N -1 3 309.287 3.683 20 0 DHADHM CCOc1ccccc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000321603268 337278614 /nfs/dbraw/zinc/27/86/14/337278614.db2.gz RJXJRILBTPYXHJ-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM CCc1cnc(NC(=O)c2cc([O-])ccc2C(F)(F)F)s1 ZINC000189448401 337279920 /nfs/dbraw/zinc/27/99/20/337279920.db2.gz YFVSTKILPUMDMQ-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000190631542 337289296 /nfs/dbraw/zinc/28/92/96/337289296.db2.gz VMJXXBGRARVEQC-LLVKDONJSA-N -1 3 320.352 3.504 20 0 DHADHM COc1cccc(-c2nc([C@H]3CCc4ccccc43)no2)c1[O-] ZINC000321923253 337305004 /nfs/dbraw/zinc/30/50/04/337305004.db2.gz RHTGFIDXQZSDNK-ZDUSSCGKSA-N -1 3 308.337 3.529 20 0 DHADHM COc1cccc(-c2nc([C@@H]3CCc4ccccc43)no2)c1[O-] ZINC000321923249 337305033 /nfs/dbraw/zinc/30/50/33/337305033.db2.gz RHTGFIDXQZSDNK-CYBMUJFWSA-N -1 3 308.337 3.529 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000193261626 337309727 /nfs/dbraw/zinc/30/97/27/337309727.db2.gz TVPGMPIFZQIWQX-UHFFFAOYSA-N -1 3 322.364 3.553 20 0 DHADHM CCCC1CCC(NC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000584439792 337325704 /nfs/dbraw/zinc/32/57/04/337325704.db2.gz NCZPCGBCDXRKJS-UHFFFAOYSA-N -1 3 312.417 3.560 20 0 DHADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000038379337 337396101 /nfs/dbraw/zinc/39/61/01/337396101.db2.gz LDEWEZFISCQZKT-LBPRGKRZSA-N -1 3 319.364 3.520 20 0 DHADHM CCCC1(c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)CCC1 ZINC000420514312 337506515 /nfs/dbraw/zinc/50/65/15/337506515.db2.gz BVUXMTFTAZJHSW-UHFFFAOYSA-N -1 3 318.373 3.681 20 0 DHADHM [O-]c1cccc2ccc(/C=C/c3ccc(-n4cncn4)cc3)nc12 ZINC000068124582 337544379 /nfs/dbraw/zinc/54/43/79/337544379.db2.gz NDLLJGFSNXLGJX-XBXARRHUSA-N -1 3 314.348 3.692 20 0 DHADHM Cc1csc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)n1 ZINC000571988768 337585438 /nfs/dbraw/zinc/58/54/38/337585438.db2.gz HPIVVJQYHDPIPN-UHFFFAOYSA-N -1 3 319.361 3.522 20 0 DHADHM CCCN(C(=O)Cc1cncc([O-])c1)[C@H](CC)c1ccccc1 ZINC000572134571 337592983 /nfs/dbraw/zinc/59/29/83/337592983.db2.gz BUFBROIQXGHMQN-GOSISDBHSA-N -1 3 312.413 3.720 20 0 DHADHM CC(C)(CCNCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263096743 337624377 /nfs/dbraw/zinc/62/43/77/337624377.db2.gz VNZPJLCBOFBCDY-UHFFFAOYSA-N -1 3 308.180 3.723 20 0 DHADHM Cc1sc([C@@H](C)NCCC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000263191715 337625390 /nfs/dbraw/zinc/62/53/90/337625390.db2.gz IPCYHOPVVNZUTF-SECBINFHSA-N -1 3 324.833 3.897 20 0 DHADHM O=C([O-])C1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000263386243 337627409 /nfs/dbraw/zinc/62/74/09/337627409.db2.gz CVNPJKLDIRHVPG-UHFFFAOYSA-N -1 3 308.230 3.788 20 0 DHADHM CC(C)C[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263431713 337628941 /nfs/dbraw/zinc/62/89/41/337628941.db2.gz SKAREXCDPDRZFK-SNVBAGLBSA-N -1 3 308.180 3.721 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC12CC2 ZINC000527930021 337776392 /nfs/dbraw/zinc/77/63/92/337776392.db2.gz JHNLLLSHHNMBNP-JTQLQIEISA-N -1 3 310.191 3.674 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cccc(C(F)F)c2F)s1 ZINC000528125421 337791288 /nfs/dbraw/zinc/79/12/88/337791288.db2.gz NWHCAKXWIODZEX-UHFFFAOYSA-N -1 3 315.320 3.820 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2F)c(C)c1 ZINC000537196040 337911187 /nfs/dbraw/zinc/91/11/87/337911187.db2.gz OBACHCJSJYLHKF-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000537644614 337955003 /nfs/dbraw/zinc/95/50/03/337955003.db2.gz QKKWUWYRWVLGLV-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM O=C(Nc1ccc(C2CCC2)cc1)c1n[n-]nc1-c1ccccc1 ZINC000516425660 338012258 /nfs/dbraw/zinc/01/22/58/338012258.db2.gz RPEKQURAQSAWPM-UHFFFAOYSA-N -1 3 318.380 3.992 20 0 DHADHM COc1cc(Cl)c(CNC[C@@H](C)CCC(=O)[O-])cc1Cl ZINC000426655810 338037232 /nfs/dbraw/zinc/03/72/32/338037232.db2.gz UTUPNYRNWZTLJG-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM COc1cc(C(=O)NCc2ccc3sccc3c2)ccc1[O-] ZINC000426483270 338033450 /nfs/dbraw/zinc/03/34/50/338033450.db2.gz BZOVQVJXLGXAFU-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM CCCSC[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000426761411 338041174 /nfs/dbraw/zinc/04/11/74/338041174.db2.gz AMGHLQRLBXKSBI-GFCCVEGCSA-N -1 3 322.257 3.679 20 0 DHADHM CC[C@@H](CNCc1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000426625775 338036363 /nfs/dbraw/zinc/03/63/63/338036363.db2.gz NXHTYNPFRVOIND-SECBINFHSA-N -1 3 323.742 3.949 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000426655014 338037237 /nfs/dbraw/zinc/03/72/37/338037237.db2.gz BGSQBOVHNCEKJW-CYBMUJFWSA-N -1 3 318.442 3.933 20 0 DHADHM O=C([O-])[C@@H](CCCNCc1ccccc1F)Cc1ccccc1 ZINC000426674774 338037656 /nfs/dbraw/zinc/03/76/56/338037656.db2.gz MOVHGIXGPRDING-INIZCTEOSA-N -1 3 315.388 3.639 20 0 DHADHM C[C@H](CCNCc1ccc(-c2cccc(F)c2F)o1)CC(=O)[O-] ZINC000426673739 338037665 /nfs/dbraw/zinc/03/76/65/338037665.db2.gz GRKSTRKAJAZNMB-LLVKDONJSA-N -1 3 323.339 3.815 20 0 DHADHM Cc1ccc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426710459 338038766 /nfs/dbraw/zinc/03/87/66/338038766.db2.gz JHTKFAWZUIFCEQ-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000426725556 338039444 /nfs/dbraw/zinc/03/94/44/338039444.db2.gz ZVBIVPBEWDSUPS-KSSFIOAISA-N -1 3 320.392 3.786 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1C ZINC000426733174 338039859 /nfs/dbraw/zinc/03/98/59/338039859.db2.gz WYWBSUHZUVHNQR-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM CC(C)(C)CC[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426737783 338039951 /nfs/dbraw/zinc/03/99/51/338039951.db2.gz QERXJLAVGYTVLL-ZDUSSCGKSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000426746770 338040566 /nfs/dbraw/zinc/04/05/66/338040566.db2.gz ZSTFEJOFQKXHHR-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1nc(S(=O)(=O)CCCC(C)C)[n-]c1Cc1ccccc1 ZINC000431581567 338134094 /nfs/dbraw/zinc/13/40/94/338134094.db2.gz BIDFYKWIROIYQL-UHFFFAOYSA-N -1 3 320.458 3.519 20 0 DHADHM Cc1[n-]c(S(=O)(=O)CCCC(C)C)nc1Cc1ccccc1 ZINC000431581567 338134095 /nfs/dbraw/zinc/13/40/95/338134095.db2.gz BIDFYKWIROIYQL-UHFFFAOYSA-N -1 3 320.458 3.519 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(SC(C)C)cc2)[n-]1 ZINC000432673284 338162099 /nfs/dbraw/zinc/16/20/99/338162099.db2.gz WLVDICQXXAGQSX-UHFFFAOYSA-N -1 3 322.455 3.989 20 0 DHADHM CCc1cnc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000432706894 338163711 /nfs/dbraw/zinc/16/37/11/338163711.db2.gz CBPADTDNJRKKGM-SDNWHVSQSA-N -1 3 323.421 3.984 20 0 DHADHM CCc1ccc([C@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000433076963 338180548 /nfs/dbraw/zinc/18/05/48/338180548.db2.gz MGTULDOVKFGNTL-YOEHRIQHSA-N -1 3 311.429 3.604 20 0 DHADHM O=C(c1ccc2c(c1)CCC=C2)N1CCCc2cccc([O-])c21 ZINC000433375577 338194110 /nfs/dbraw/zinc/19/41/10/338194110.db2.gz XZIRWEWIXYLXER-UHFFFAOYSA-N -1 3 305.377 3.945 20 0 DHADHM Cn1cc(C(=O)N2CCCc3cccc([O-])c32)c2cc(F)ccc21 ZINC000435802426 338249932 /nfs/dbraw/zinc/24/99/32/338249932.db2.gz YDVGYWPSVTVSCW-UHFFFAOYSA-N -1 3 324.355 3.616 20 0 DHADHM CSc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1C ZINC000435805524 338250033 /nfs/dbraw/zinc/25/00/33/338250033.db2.gz XTXVOIBHZXQNDQ-UHFFFAOYSA-N -1 3 324.409 3.754 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)ccc1[O-] ZINC000435938076 338253689 /nfs/dbraw/zinc/25/36/89/338253689.db2.gz QMAMGEPKHHIEHB-UKRRQHHQSA-N -1 3 313.372 3.906 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4c(n3)CCCC4)no2)c1 ZINC000435952590 338254055 /nfs/dbraw/zinc/25/40/55/338254055.db2.gz KTCXEKSGWTZWJU-DHZHZOJOSA-N -1 3 319.364 3.886 20 0 DHADHM C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000448566740 338254183 /nfs/dbraw/zinc/25/41/83/338254183.db2.gz RTGXXAVXMAMOHF-HUUCEWRRSA-N -1 3 311.425 3.983 20 0 DHADHM CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000436164958 338260186 /nfs/dbraw/zinc/26/01/86/338260186.db2.gz WEKBWGPGVAZBFK-OAHLLOKOSA-N -1 3 304.777 3.819 20 0 DHADHM CC(C)c1ccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448570253 338262387 /nfs/dbraw/zinc/26/23/87/338262387.db2.gz CHSNTSAYDLSCHM-UHFFFAOYSA-N -1 3 315.388 3.856 20 0 DHADHM O=C1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436512416 338274680 /nfs/dbraw/zinc/27/46/80/338274680.db2.gz JUZJMXFLKOTOIY-HNNXBMFYSA-N -1 3 306.321 3.551 20 0 DHADHM CCOc1ccc(CN(C(=O)c2ccccc2[O-])C(C)C)cc1 ZINC000436536232 338276017 /nfs/dbraw/zinc/27/60/17/338276017.db2.gz AJURKSNTMONMRF-UHFFFAOYSA-N -1 3 313.397 3.842 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1[O-] ZINC000436545201 338276252 /nfs/dbraw/zinc/27/62/52/338276252.db2.gz RJCUJPYSBWGQGB-PWSUYJOCSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)c([O-])c1C ZINC000436544000 338276405 /nfs/dbraw/zinc/27/64/05/338276405.db2.gz HUTAAQYWGPHGTG-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM CCC(CC)N(CCOC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436556416 338276889 /nfs/dbraw/zinc/27/68/89/338276889.db2.gz KXWKXHDGWUDWAF-UHFFFAOYSA-N -1 3 319.445 3.548 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436557826 338276988 /nfs/dbraw/zinc/27/69/88/338276988.db2.gz VTAVBTWEOHZDAH-KRWDZBQOSA-N -1 3 309.409 3.796 20 0 DHADHM CCSc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436559919 338277150 /nfs/dbraw/zinc/27/71/50/338277150.db2.gz APUQLWGWHPYGNL-GFCCVEGCSA-N -1 3 301.411 3.995 20 0 DHADHM COc1cccc(C(=O)NCc2csc3ccccc23)c1[O-] ZINC000436570786 338277696 /nfs/dbraw/zinc/27/76/96/338277696.db2.gz BCAJHGOHOKWRRB-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000436575146 338277831 /nfs/dbraw/zinc/27/78/31/338277831.db2.gz NPNMFHOQRLEYHW-GJZGRUSLSA-N -1 3 309.409 3.711 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(CSC)cc2)c1[O-] ZINC000436572236 338277880 /nfs/dbraw/zinc/27/78/80/338277880.db2.gz YNTHVEOQWQAJIO-UHFFFAOYSA-N -1 3 317.410 3.825 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[O-] ZINC000436575755 338277970 /nfs/dbraw/zinc/27/79/70/338277970.db2.gz NKIAJBABNNYOEX-WBVHZDCISA-N -1 3 309.409 3.794 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000436575746 338278056 /nfs/dbraw/zinc/27/80/56/338278056.db2.gz NKIAJBABNNYOEX-DOTOQJQBSA-N -1 3 309.409 3.794 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000436578795 338278214 /nfs/dbraw/zinc/27/82/14/338278214.db2.gz SLKOTZIUJHWDPD-KRWDZBQOSA-N -1 3 309.409 3.973 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000436582435 338278347 /nfs/dbraw/zinc/27/83/47/338278347.db2.gz LAXUKGJERDEGCU-UHFFFAOYSA-N -1 3 307.353 3.709 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c([O-])c1 ZINC000436581487 338278371 /nfs/dbraw/zinc/27/83/71/338278371.db2.gz FRRQSYNJLRRZHZ-LLVKDONJSA-N -1 3 317.335 3.738 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000436584373 338278623 /nfs/dbraw/zinc/27/86/23/338278623.db2.gz LYBPTAJUTIOJAI-HDICACEKSA-N -1 3 321.420 3.855 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436587951 338278657 /nfs/dbraw/zinc/27/86/57/338278657.db2.gz YHFJTFHBZUOMPM-HUUCEWRRSA-N -1 3 309.409 3.996 20 0 DHADHM CC1(C)[C@@H]2CN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C[C@@H]21 ZINC000436589038 338278769 /nfs/dbraw/zinc/27/87/69/338278769.db2.gz JLJMGDNZMSNIGR-HDICACEKSA-N -1 3 321.420 3.711 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c([O-])c1C ZINC000436592681 338278970 /nfs/dbraw/zinc/27/89/70/338278970.db2.gz XRNKZUUCEBVLHL-LLVKDONJSA-N -1 3 315.344 3.576 20 0 DHADHM Cc1csc([C@@H](NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)n1 ZINC000436592091 338279014 /nfs/dbraw/zinc/27/90/14/338279014.db2.gz SIYWYHCVRZHUBY-AWEZNQCLSA-N -1 3 316.426 3.655 20 0 DHADHM Cc1nc(CCNC(=O)c2ccc(C(C)C)cc2[O-])sc1C ZINC000436599016 338279293 /nfs/dbraw/zinc/27/92/93/338279293.db2.gz WFYKOMUIQLTYCD-UHFFFAOYSA-N -1 3 318.442 3.561 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)n1 ZINC000436604422 338279405 /nfs/dbraw/zinc/27/94/05/338279405.db2.gz CLORKHWPNWXMTE-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccccc2Cl)c([O-])c1C ZINC000436620701 338280337 /nfs/dbraw/zinc/28/03/37/338280337.db2.gz BQURKZSGIHVXFA-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436624004 338280447 /nfs/dbraw/zinc/28/04/47/338280447.db2.gz JQDOIXXTDFEVHS-QGZVFWFLSA-N -1 3 319.763 3.757 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1cc(CC)ccc1[O-] ZINC000436624918 338280499 /nfs/dbraw/zinc/28/04/99/338280499.db2.gz BRVDQCCEKIVFNS-UHFFFAOYSA-N -1 3 307.434 3.624 20 0 DHADHM CCSc1ccc([C@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436646631 338281250 /nfs/dbraw/zinc/28/12/50/338281250.db2.gz HKBMVIAZPMGJRK-NSHDSACASA-N -1 3 317.410 3.701 20 0 DHADHM CCSc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436646628 338281293 /nfs/dbraw/zinc/28/12/93/338281293.db2.gz HKBMVIAZPMGJRK-LLVKDONJSA-N -1 3 317.410 3.701 20 0 DHADHM Cc1ccc(-c2nc(-c3ncsc3Cl)no2)c([O-])c1C ZINC000436661132 338282040 /nfs/dbraw/zinc/28/20/40/338282040.db2.gz XGKXERQWSMXZPK-UHFFFAOYSA-N -1 3 307.762 3.836 20 0 DHADHM CC(C)c1ccc(C(=O)NCC2(C(F)(F)F)CC2)c([O-])c1 ZINC000436666564 338282211 /nfs/dbraw/zinc/28/22/11/338282211.db2.gz QYKFFJYAQNJXHN-UHFFFAOYSA-N -1 3 301.308 3.588 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436674027 338282383 /nfs/dbraw/zinc/28/23/83/338282383.db2.gz QTWGGAQSKPJPNM-UHFFFAOYSA-N -1 3 313.397 3.680 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000436674284 338282385 /nfs/dbraw/zinc/28/23/85/338282385.db2.gz UZBYQNPXQSOMFH-CQSZACIVSA-N -1 3 305.761 3.632 20 0 DHADHM Cc1cccc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC000436680304 338282490 /nfs/dbraw/zinc/28/24/90/338282490.db2.gz NPQZFUPMZUWWJF-CQSZACIVSA-N -1 3 323.314 3.777 20 0 DHADHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1C(F)F ZINC000436678797 338282502 /nfs/dbraw/zinc/28/25/02/338282502.db2.gz DBLQTTNZBKLQJZ-UHFFFAOYSA-N -1 3 323.343 3.842 20 0 DHADHM CCOc1cc(NC(=O)c2ccc([O-])c(CC)c2)ccc1OC ZINC000436686246 338282752 /nfs/dbraw/zinc/28/27/52/338282752.db2.gz NJPMPVQZOZFJJF-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM CCOc1cc(F)ccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436685289 338282764 /nfs/dbraw/zinc/28/27/64/338282764.db2.gz LMSQEGLLYZRCIW-UHFFFAOYSA-N -1 3 303.333 3.745 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1C(F)(F)F ZINC000436686505 338282844 /nfs/dbraw/zinc/28/28/44/338282844.db2.gz FQVZBNFAGKNRQH-SNVBAGLBSA-N -1 3 309.287 3.902 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)c([O-])c1 ZINC000436692594 338283214 /nfs/dbraw/zinc/28/32/14/338283214.db2.gz XLBZHGQDSNMHNO-MRXNPFEDSA-N -1 3 311.381 3.639 20 0 DHADHM COc1cc(-c2noc(-c3ccc(F)c(Cl)c3)n2)ccc1[O-] ZINC000436702129 338283407 /nfs/dbraw/zinc/28/34/07/338283407.db2.gz BVQHDYWRBXDDGF-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CCCCn1ncc(NC(=O)c2ccc([O-])c(CC)c2)c1C ZINC000436704725 338283531 /nfs/dbraw/zinc/28/35/31/338283531.db2.gz PHEUKCPZWZGTIL-UHFFFAOYSA-N -1 3 301.390 3.512 20 0 DHADHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccccc1[O-])[C@H]2C ZINC000436705182 338283571 /nfs/dbraw/zinc/28/35/71/338283571.db2.gz OGJRYGKCOVJOAO-OLZOCXBDSA-N -1 3 311.381 3.549 20 0 DHADHM CO[C@@H](C)CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436718509 338283956 /nfs/dbraw/zinc/28/39/56/338283956.db2.gz AMXSHVVRYRDCMV-ZDUSSCGKSA-N -1 3 307.434 3.794 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCCCC2 ZINC000436719197 338283985 /nfs/dbraw/zinc/28/39/85/338283985.db2.gz OQICKNNADTWIJS-IAGOWNOFSA-N -1 3 317.429 3.592 20 0 DHADHM CCc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c([O-])c1 ZINC000436720043 338284060 /nfs/dbraw/zinc/28/40/60/338284060.db2.gz CDQDERSIVSPEQS-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(O)cc1[O-] ZINC000436732150 338284616 /nfs/dbraw/zinc/28/46/16/338284616.db2.gz OZYOMEWNFAUQTA-HUUCEWRRSA-N -1 3 311.381 3.554 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cnc3ccccc3c2)c([O-])c1 ZINC000436736240 338284915 /nfs/dbraw/zinc/28/49/15/338284915.db2.gz OAKNCQRKNDJFMA-UHFFFAOYSA-N -1 3 320.392 3.994 20 0 DHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436741387 338284958 /nfs/dbraw/zinc/28/49/58/338284958.db2.gz SYNSTTPCYIHDFN-MRXNPFEDSA-N -1 3 313.397 3.933 20 0 DHADHM O=C(Nc1cccnc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436751572 338285458 /nfs/dbraw/zinc/28/54/58/338285458.db2.gz MOJHWSPJOKIIII-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccon1 ZINC000436765550 338286410 /nfs/dbraw/zinc/28/64/10/338286410.db2.gz PWQBJZYHXGYSJE-LBPRGKRZSA-N -1 3 324.336 3.664 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c([O-])c1C ZINC000436766844 338286469 /nfs/dbraw/zinc/28/64/69/338286469.db2.gz FUWDOTYFTGKAMN-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM COc1cc(-c2noc(-c3cn(C)c4ccccc34)n2)ccc1[O-] ZINC000436782825 338287075 /nfs/dbraw/zinc/28/70/75/338287075.db2.gz DGJKJICJPGLWIJ-UHFFFAOYSA-N -1 3 321.336 3.610 20 0 DHADHM CCc1nn(C)cc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436786845 338287234 /nfs/dbraw/zinc/28/72/34/338287234.db2.gz KXEDIJSFBBLAET-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1[O-] ZINC000436786591 338287284 /nfs/dbraw/zinc/28/72/84/338287284.db2.gz STEWAUYLOFCORH-UHFFFAOYSA-N -1 3 309.724 3.754 20 0 DHADHM Cc1cc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)ccc1[O-] ZINC000436795629 338287824 /nfs/dbraw/zinc/28/78/24/338287824.db2.gz ZQOARLNONGXUSE-ZDUSSCGKSA-N -1 3 301.390 3.757 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1ccc([O-])c(C)c1 ZINC000436806475 338287937 /nfs/dbraw/zinc/28/79/37/338287937.db2.gz VVVLLYQPLFXFKE-UHFFFAOYSA-N -1 3 303.427 3.857 20 0 DHADHM COc1cccc(C(=O)N(C)C/C(C)=C\c2ccccc2)c1[O-] ZINC000436810078 338288093 /nfs/dbraw/zinc/28/80/93/338288093.db2.gz WFKQSBNLDQTYHT-OWBHPGMISA-N -1 3 311.381 3.576 20 0 DHADHM CCc1ccc(C(=O)N[C@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000436813547 338288264 /nfs/dbraw/zinc/28/82/64/338288264.db2.gz IABZIKYSAQUTDN-SNVBAGLBSA-N -1 3 303.324 3.806 20 0 DHADHM CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000436812544 338288268 /nfs/dbraw/zinc/28/82/68/338288268.db2.gz YBELFHDXGHTGON-UHFFFAOYSA-N -1 3 321.808 3.946 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2cc3c(cc2[O-])CCCC3)CC12CCC2 ZINC000436824470 338288745 /nfs/dbraw/zinc/28/87/45/338288745.db2.gz BFPXEJQLAWOPJA-GOSISDBHSA-N -1 3 313.441 3.922 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2ccc3c(c2[O-])CCCC3)CC12CCC2 ZINC000436825640 338288763 /nfs/dbraw/zinc/28/87/63/338288763.db2.gz GYSNKTCJPZNEHY-GOSISDBHSA-N -1 3 313.441 3.922 20 0 DHADHM CCCCn1ncc(NC(=O)c2ccc(CC)cc2[O-])c1C ZINC000436826501 338288782 /nfs/dbraw/zinc/28/87/82/338288782.db2.gz AFZYJWGLLRWBCM-UHFFFAOYSA-N -1 3 301.390 3.512 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3noc(C)n3)c2)c([O-])c1 ZINC000436826017 338288887 /nfs/dbraw/zinc/28/88/87/338288887.db2.gz IYDQSOKSHAFXCV-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM C[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC(C)(C)C1 ZINC000436829445 338288907 /nfs/dbraw/zinc/28/89/07/338288907.db2.gz BDXOZCKNLITSMX-GFCCVEGCSA-N -1 3 317.429 3.614 20 0 DHADHM CCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])[C@@H]1CCOC1 ZINC000436830221 338288964 /nfs/dbraw/zinc/28/89/64/338288964.db2.gz CSDSLTXUCNHRKJ-OAHLLOKOSA-N -1 3 319.445 3.890 20 0 DHADHM CCc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)c([O-])c1 ZINC000436846372 338289628 /nfs/dbraw/zinc/28/96/28/338289628.db2.gz MSTNBLYQECQSLO-UHFFFAOYSA-N -1 3 309.409 3.758 20 0 DHADHM CCc1ccc([C@@H]2CCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436850553 338289764 /nfs/dbraw/zinc/28/97/64/338289764.db2.gz IJQNSDCVNWRQPJ-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436851469 338289834 /nfs/dbraw/zinc/28/98/34/338289834.db2.gz LJUCGWWSGTXGCF-QGZVFWFLSA-N -1 3 309.409 3.974 20 0 DHADHM CCc1ccc(-c2nc(COCc3ccccc3)no2)c([O-])c1 ZINC000436847951 338289893 /nfs/dbraw/zinc/28/98/93/338289893.db2.gz LUVPEZKLNXAWBJ-UHFFFAOYSA-N -1 3 310.353 3.721 20 0 DHADHM CC[C@@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436858095 338290231 /nfs/dbraw/zinc/29/02/31/338290231.db2.gz DGNKWNYBDOQUND-QGZVFWFLSA-N -1 3 309.409 3.802 20 0 DHADHM COc1ccc2c(c1)[C@H](c1nc(-c3ccc([O-])cc3)no1)CC2 ZINC000436869402 338290559 /nfs/dbraw/zinc/29/05/59/338290559.db2.gz LDPNOIONEBEPGL-OAHLLOKOSA-N -1 3 308.337 3.529 20 0 DHADHM COc1nc(-c2nc(-c3ccc([O-])cc3)no2)cc2ccccc21 ZINC000436885402 338291731 /nfs/dbraw/zinc/29/17/31/338291731.db2.gz DABJEVMJLSHRLU-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1cncc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436890474 338292157 /nfs/dbraw/zinc/29/21/57/338292157.db2.gz BXRQNPRHLYOHIJ-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2cscn2)no1 ZINC000436893430 338292306 /nfs/dbraw/zinc/29/23/06/338292306.db2.gz AVFGVIOTQNYQAH-UHFFFAOYSA-N -1 3 309.350 3.643 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc(N(C)C)cc3)no2)c1 ZINC000436895284 338292311 /nfs/dbraw/zinc/29/23/11/338292311.db2.gz WMHDMGTVWPIFCS-UHFFFAOYSA-N -1 3 309.369 3.738 20 0 DHADHM COc1ccc2cc(CNC(=O)c3ccc([O-])c(C)c3)ccc2c1 ZINC000436898855 338292479 /nfs/dbraw/zinc/29/24/79/338292479.db2.gz ANEFDBHWCXGTJO-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM [O-]c1ccc(-c2noc(C[C@H]3CCc4ccccc4C3)n2)cc1 ZINC000436896411 338292574 /nfs/dbraw/zinc/29/25/74/338292574.db2.gz YNVUXAJQOKGQCZ-ZDUSSCGKSA-N -1 3 306.365 3.790 20 0 DHADHM COc1cccc(-c2nc(-c3cccc4[nH]ccc43)no2)c1[O-] ZINC000436900629 338292648 /nfs/dbraw/zinc/29/26/48/338292648.db2.gz DLDFBADTTIYTTK-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM Cc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)c(Cl)c1 ZINC000436901966 338292685 /nfs/dbraw/zinc/29/26/85/338292685.db2.gz DQPWFCGPIROZHS-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436904681 338292809 /nfs/dbraw/zinc/29/28/09/338292809.db2.gz XZLYWMLKGCSAHJ-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(O)cc1[O-] ZINC000436917485 338293340 /nfs/dbraw/zinc/29/33/40/338293340.db2.gz BESKPYOFHUJLFR-OAHLLOKOSA-N -1 3 313.397 3.629 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436924839 338293622 /nfs/dbraw/zinc/29/36/22/338293622.db2.gz IOLAOOCTWVBELG-SFHVURJKSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1cccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1[O-] ZINC000436930515 338294062 /nfs/dbraw/zinc/29/40/62/338294062.db2.gz GXAQKUCDBSVRCK-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)ccc1[O-] ZINC000436935759 338294335 /nfs/dbraw/zinc/29/43/35/338294335.db2.gz LMTVDOABRCIVQU-BBRMVZONSA-N -1 3 313.372 3.858 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(OC(C)C)c(C)c2)c1[O-] ZINC000436939196 338294627 /nfs/dbraw/zinc/29/46/27/338294627.db2.gz OCQCCCYZCGCLJP-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM COc1ccc([O-])c(-c2nc(C3(c4cccc(C)c4)CC3)no2)c1 ZINC000436954469 338295648 /nfs/dbraw/zinc/29/56/48/338295648.db2.gz HFCUUAURJVMCSZ-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM CCOC(=O)c1ccc(/C=C/c2ccc3cccc([O-])c3n2)o1 ZINC000436955783 338295766 /nfs/dbraw/zinc/29/57/66/338295766.db2.gz MYVISQZSUXTLQN-CMDGGOBGSA-N -1 3 309.321 3.881 20 0 DHADHM CCc1ccc(-c2nc(C3(COC)CCCCC3)no2)c([O-])c1 ZINC000436957600 338295969 /nfs/dbraw/zinc/29/59/69/338295969.db2.gz YUXYSXBGPQRSRA-UHFFFAOYSA-N -1 3 316.401 3.853 20 0 DHADHM C[C@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436961253 338296105 /nfs/dbraw/zinc/29/61/05/338296105.db2.gz GQEJUHXHXHUYMU-IBGZPJMESA-N -1 3 313.372 3.557 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)CC2CCCC2)c([O-])c1 ZINC000436976676 338296398 /nfs/dbraw/zinc/29/63/98/338296398.db2.gz PQHZJBXBSXLCQB-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM O=C(Nc1scnc1C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436976190 338296482 /nfs/dbraw/zinc/29/64/82/338296482.db2.gz OEIIGIDZSFTNGZ-UHFFFAOYSA-N -1 3 314.410 3.857 20 0 DHADHM O=C(N[C@@H]1CC=CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436981467 338296559 /nfs/dbraw/zinc/29/65/59/338296559.db2.gz QMKAAZWHFVTRJF-MRXNPFEDSA-N -1 3 323.392 3.810 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CCCC4(CCC4)C3)c([O-])c2O1 ZINC000436987671 338296891 /nfs/dbraw/zinc/29/68/91/338296891.db2.gz UUPBZZNGBBAZBB-UHFFFAOYSA-N -1 3 315.413 3.512 20 0 DHADHM CSc1ccccc1CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436993095 338296950 /nfs/dbraw/zinc/29/69/50/338296950.db2.gz YHWNZXPZUAQGMF-UHFFFAOYSA-N -1 3 301.411 3.695 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c([O-])c1 ZINC000437007054 338297549 /nfs/dbraw/zinc/29/75/49/338297549.db2.gz XLDIIARVBCXCBI-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000438782923 338352095 /nfs/dbraw/zinc/35/20/95/338352095.db2.gz CXYPEBXEWASIMC-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2ccc(C)c(C)c2[O-])on1 ZINC000440070003 338383101 /nfs/dbraw/zinc/38/31/01/338383101.db2.gz HUVZDJFEUCBDRM-UHFFFAOYSA-N -1 3 316.401 3.831 20 0 DHADHM CC[C@]1(C)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000440456463 338387694 /nfs/dbraw/zinc/38/76/94/338387694.db2.gz WCELOWOKMSWXIV-LJQANCHMSA-N -1 3 301.430 3.923 20 0 DHADHM CSc1ccc(-c2nsc([N-]C(=O)c3ccoc3)n2)cc1 ZINC000440461744 338387716 /nfs/dbraw/zinc/38/77/16/338387716.db2.gz DICNERPKJZHFGZ-UHFFFAOYSA-N -1 3 317.395 3.772 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC000440485303 338388395 /nfs/dbraw/zinc/38/83/95/338388395.db2.gz JGTCMIQHCJZNHB-LLVKDONJSA-N -1 3 305.324 3.512 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(SC)cc2OC)c([O-])c1 ZINC000446983078 338542833 /nfs/dbraw/zinc/54/28/33/338542833.db2.gz NACMVSAKMWQSBZ-UHFFFAOYSA-N -1 3 317.410 3.937 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(CC)ccc2[O-])C1 ZINC000162867304 338668737 /nfs/dbraw/zinc/66/87/37/338668737.db2.gz IQQZQIYLERWZTD-KBPBESRZSA-N -1 3 307.459 3.701 20 0 DHADHM C[C@]1(C(=O)NCc2ccc([O-])c(Br)c2)CC=CCC1 ZINC000450226305 338672146 /nfs/dbraw/zinc/67/21/46/338672146.db2.gz DVEGAYSGGWDEJZ-HNNXBMFYSA-N -1 3 324.218 3.517 20 0 DHADHM Cc1cccc2c1O[C@@H](C(=O)N1CC[C@H](C)c3cccc([O-])c31)C2 ZINC000450940748 338713587 /nfs/dbraw/zinc/71/35/87/338713587.db2.gz RMNNEKMSLSPESU-YVEFUNNKSA-N -1 3 323.392 3.545 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCCC(=O)C2CC2)c([O-])c1 ZINC000451484388 338736400 /nfs/dbraw/zinc/73/64/00/338736400.db2.gz ZUDIOFUDVYOLKE-UHFFFAOYSA-N -1 3 303.402 3.778 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC(C2CCC2)C1 ZINC000451672031 338741601 /nfs/dbraw/zinc/74/16/01/338741601.db2.gz HATLJXMPFOCIKR-UHFFFAOYSA-N -1 3 309.409 3.737 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)CCC(C)C ZINC000452744109 338777573 /nfs/dbraw/zinc/77/75/73/338777573.db2.gz BSYLFNFMUJXUOC-UHFFFAOYSA-N -1 3 300.196 3.838 20 0 DHADHM CCC[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452759186 338778122 /nfs/dbraw/zinc/77/81/22/338778122.db2.gz SYJDJKOIWCBRAH-MRVPVSSYSA-N -1 3 300.196 3.838 20 0 DHADHM Cc1ccccc1OCCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000195709643 338914326 /nfs/dbraw/zinc/91/43/26/338914326.db2.gz OAHLFMRFZZKCQD-UHFFFAOYSA-N -1 3 313.397 3.550 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c([O-])c1 ZINC000456103924 338919443 /nfs/dbraw/zinc/91/94/43/338919443.db2.gz BIRXENPVSRPUGE-ZYHUDNBSSA-N -1 3 315.335 3.758 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456693712 338937335 /nfs/dbraw/zinc/93/73/35/338937335.db2.gz MKQLCIZWEWRZBQ-MRXNPFEDSA-N -1 3 321.380 3.636 20 0 DHADHM [O-]c1cccc(CN2CCc3sccc3C2)c1Br ZINC000459315676 339021213 /nfs/dbraw/zinc/02/12/13/339021213.db2.gz RVFFKMUYRGTNCA-UHFFFAOYSA-N -1 3 324.243 3.775 20 0 DHADHM O=c1cc(CN2CCC[C@@H]2c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000459296745 339020012 /nfs/dbraw/zinc/02/00/12/339020012.db2.gz HEHGYMKAKOSBTK-MRXNPFEDSA-N -1 3 313.376 3.536 20 0 DHADHM C[C@@H](c1ccccn1)N(C)Cc1cccc([O-])c1Br ZINC000459486416 339032244 /nfs/dbraw/zinc/03/22/44/339032244.db2.gz TVMOHQZCMAIWLY-NSHDSACASA-N -1 3 321.218 3.743 20 0 DHADHM CC1(C)CN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1c1cccs1 ZINC000459532687 339034330 /nfs/dbraw/zinc/03/43/30/339034330.db2.gz NOCZMQIADTZKIY-HNNXBMFYSA-N -1 3 315.442 3.704 20 0 DHADHM CCCc1ncc(CNCc2cc(Cl)c([O-])c(OCC)c2)o1 ZINC000459565201 339036013 /nfs/dbraw/zinc/03/60/13/339036013.db2.gz GFXPFWWOALSREU-UHFFFAOYSA-N -1 3 324.808 3.675 20 0 DHADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462314835 339075609 /nfs/dbraw/zinc/07/56/09/339075609.db2.gz HVUSIWCQFXNVRS-UHFFFAOYSA-N -1 3 307.818 3.726 20 0 DHADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1ccc(Cl)s1 ZINC000462482857 339079683 /nfs/dbraw/zinc/07/96/83/339079683.db2.gz BOFNGPYPCGAOEV-QWRGUYRKSA-N -1 3 319.879 3.649 20 0 DHADHM C=Cc1ccc(CCNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000462567995 339081666 /nfs/dbraw/zinc/08/16/66/339081666.db2.gz DKLBVRJQJLBTHB-UHFFFAOYSA-N -1 3 315.800 3.590 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(F)cc(F)c1 ZINC000468541811 339265751 /nfs/dbraw/zinc/26/57/51/339265751.db2.gz IKPSPVOFTIFZQF-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM Cc1ccccc1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468551524 339265950 /nfs/dbraw/zinc/26/59/50/339265950.db2.gz DEDMVYIEHVQPPL-UHFFFAOYSA-N -1 3 315.388 3.521 20 0 DHADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468564169 339266610 /nfs/dbraw/zinc/26/66/10/339266610.db2.gz IHCBVHNJXCFFLI-AWEZNQCLSA-N -1 3 315.388 3.774 20 0 DHADHM Cc1cccc(CNCc2cc([O-])cc(F)c2)c1Br ZINC000468590885 339266919 /nfs/dbraw/zinc/26/69/19/339266919.db2.gz PVEQTLKOMWMLIO-UHFFFAOYSA-N -1 3 324.193 3.892 20 0 DHADHM C[C@@H]1CCC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468620054 339267154 /nfs/dbraw/zinc/26/71/54/339267154.db2.gz RYPFQNVPVANSIF-UKRRQHHQSA-N -1 3 307.409 3.797 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC/C=C\c1ccccc1 ZINC000468819816 339271771 /nfs/dbraw/zinc/27/17/71/339271771.db2.gz CCNADNTXZTVKGT-UITAMQMPSA-N -1 3 313.372 3.684 20 0 DHADHM CCOc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2[n-]1 ZINC000468891254 339273813 /nfs/dbraw/zinc/27/38/13/339273813.db2.gz JJXXXYCNCYCFDP-UHFFFAOYSA-N -1 3 321.380 3.555 20 0 DHADHM CCOc1nc2cc(C(=O)N3CCCc4ccccc43)ccc2[n-]1 ZINC000468891254 339273814 /nfs/dbraw/zinc/27/38/14/339273814.db2.gz JJXXXYCNCYCFDP-UHFFFAOYSA-N -1 3 321.380 3.555 20 0 DHADHM CC1(C)CCCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469203842 339282962 /nfs/dbraw/zinc/28/29/62/339282962.db2.gz IJCFMZUDVWLUMU-INIZCTEOSA-N -1 3 307.409 3.939 20 0 DHADHM O=C(Nc1cccc(OC(F)F)c1)c1cc([O-])ccc1Cl ZINC000469519897 339292364 /nfs/dbraw/zinc/29/23/64/339292364.db2.gz AQPBOKBPBQXPAI-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM CN(C[C@@H]1CC=CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469553113 339293073 /nfs/dbraw/zinc/29/30/73/339293073.db2.gz ZGNISEJMTYIBKT-OAHLLOKOSA-N -1 3 305.393 3.669 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2C)ccc1[O-] ZINC000469886903 339303836 /nfs/dbraw/zinc/30/38/36/339303836.db2.gz GGAXFCXGSHTGGE-UHFFFAOYSA-N -1 3 323.314 3.958 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc2sccc2c1 ZINC000471791458 339354165 /nfs/dbraw/zinc/35/41/65/339354165.db2.gz IIYCUHUHOWQPSE-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc2sccc2c1 ZINC000471791458 339354166 /nfs/dbraw/zinc/35/41/66/339354166.db2.gz IIYCUHUHOWQPSE-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2sccc2c1 ZINC000471791458 339354167 /nfs/dbraw/zinc/35/41/67/339354167.db2.gz IIYCUHUHOWQPSE-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000471792399 339354255 /nfs/dbraw/zinc/35/42/55/339354255.db2.gz KNHYIBCZXZPWHD-SECBINFHSA-N -1 3 322.817 3.868 20 0 DHADHM O=C(c1csc(=O)[n-]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000471860838 339356348 /nfs/dbraw/zinc/35/63/48/339356348.db2.gz YWVDPTVFXFFKRT-UHFFFAOYSA-N -1 3 324.405 3.807 20 0 DHADHM [O-]c1cc(F)cc(CN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000473140232 339382227 /nfs/dbraw/zinc/38/22/27/339382227.db2.gz LFNKXJHMJKNZGE-HXUWFJFHSA-N -1 3 322.383 3.938 20 0 DHADHM CN(Cc1cccc(Br)c1)Cc1cc([O-])cc(F)c1 ZINC000473145936 339382885 /nfs/dbraw/zinc/38/28/85/339382885.db2.gz LJSZOPHMPWRNEW-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000476579993 339478932 /nfs/dbraw/zinc/47/89/32/339478932.db2.gz WHMMCPXFQADQOP-MCIONIFRSA-N -1 3 307.409 3.747 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000478256815 339511767 /nfs/dbraw/zinc/51/17/67/339511767.db2.gz SPGLUKTUGXMYQW-WMLDXEAASA-N -1 3 313.372 3.906 20 0 DHADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc([O-])cc1F ZINC000478275268 339512280 /nfs/dbraw/zinc/51/22/80/339512280.db2.gz DWHWHNQWLCWPBD-SUYBPPKGSA-N -1 3 323.408 3.947 20 0 DHADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1C(CC)CC ZINC000478858152 339523776 /nfs/dbraw/zinc/52/37/76/339523776.db2.gz QQUAJXWLJPBHKN-UHFFFAOYSA-N -1 3 319.380 3.904 20 0 DHADHM CCc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000481637309 339608347 /nfs/dbraw/zinc/60/83/47/339608347.db2.gz DLOFIAYUAFTFIU-JCNLHEQBSA-N -1 3 313.372 3.770 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000482013855 339619812 /nfs/dbraw/zinc/61/98/12/339619812.db2.gz YJCQWUVGAYAHMF-MFKMUULPSA-N -1 3 315.335 3.758 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1CCCC[C@H]1CC ZINC000483967652 339678916 /nfs/dbraw/zinc/67/89/16/339678916.db2.gz WMYOHSILNOLNDB-VXGBXAGGSA-N -1 3 322.405 3.569 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2cccc3[nH]ccc32)ccc1[O-] ZINC000487618705 339759348 /nfs/dbraw/zinc/75/93/48/339759348.db2.gz PNJWIMHFROBHRF-UHFFFAOYSA-N -1 3 308.381 3.708 20 0 DHADHM O=C(/C=C\c1ccnc2ccccc12)Nc1ccc([O-])cc1F ZINC000492450106 339900924 /nfs/dbraw/zinc/90/09/24/339900924.db2.gz PYDUYOADOIKMRS-YVMONPNESA-N -1 3 308.312 3.731 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1[O-] ZINC000499588149 340040043 /nfs/dbraw/zinc/04/00/43/340040043.db2.gz TXJLZZBBIKXOQW-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM Cc1cnc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)o1 ZINC000500006621 340048539 /nfs/dbraw/zinc/04/85/39/340048539.db2.gz RFYRBGMFQUPDPJ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM Cc1cc(C(=O)N(C)CCc2ccc(Cl)cc2)ccc1[O-] ZINC000500021756 340048791 /nfs/dbraw/zinc/04/87/91/340048791.db2.gz JQGVFKYCJBDYNA-UHFFFAOYSA-N -1 3 303.789 3.669 20 0 DHADHM Cc1cc(C(=O)Nc2nc(CC(C)(C)C)cs2)ccc1[O-] ZINC000500030602 340048925 /nfs/dbraw/zinc/04/89/25/340048925.db2.gz CUWJOBWFLBRBEN-UHFFFAOYSA-N -1 3 304.415 3.998 20 0 DHADHM Cc1cc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)ccc1[O-] ZINC000500057443 340049456 /nfs/dbraw/zinc/04/94/56/340049456.db2.gz UXCLJHCGSCQDGK-LBPRGKRZSA-N -1 3 303.324 3.798 20 0 DHADHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1[O-] ZINC000500151773 340051415 /nfs/dbraw/zinc/05/14/15/340051415.db2.gz WWARMISDMBLGEB-STQMWFEESA-N -1 3 315.335 3.799 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cn2ncc3ccccc32)c([O-])c1 ZINC000501967513 340091659 /nfs/dbraw/zinc/09/16/59/340091659.db2.gz QXGNYQNTDCWAQP-UHFFFAOYSA-N -1 3 323.396 3.678 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cn2)c([O-])c1 ZINC000501991963 340092198 /nfs/dbraw/zinc/09/21/98/340092198.db2.gz AOMZNNAEOIELHK-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1[O-] ZINC000502147123 340096044 /nfs/dbraw/zinc/09/60/44/340096044.db2.gz JEFHSBGLKDGXMK-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000503548174 340130136 /nfs/dbraw/zinc/13/01/36/340130136.db2.gz INQQWASPESGMFA-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM C[C@H](C(=O)[N-][C@@](C)(c1ccccc1)C(F)(F)F)C(F)(F)F ZINC000504571533 340149494 /nfs/dbraw/zinc/14/94/94/340149494.db2.gz WOPLDXPKJIWPBG-KCJUWKMLSA-N -1 3 313.241 3.779 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1C(F)F ZINC000505431514 340168190 /nfs/dbraw/zinc/16/81/90/340168190.db2.gz VJUOAAMHGIUMIX-ZDUSSCGKSA-N -1 3 315.335 3.500 20 0 DHADHM COC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCCCC1 ZINC000506232516 340189385 /nfs/dbraw/zinc/18/93/85/340189385.db2.gz QOTJAFSDGPEIIW-UHFFFAOYSA-N -1 3 305.418 3.978 20 0 DHADHM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506251475 340190097 /nfs/dbraw/zinc/19/00/97/340190097.db2.gz ZIZPWWUTJAHVNV-UHFFFAOYSA-N -1 3 315.417 3.601 20 0 DHADHM C[C@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508506649 340245182 /nfs/dbraw/zinc/24/51/82/340245182.db2.gz DIDWDPCKQUKXJR-GFCCVEGCSA-N -1 3 303.789 3.508 20 0 DHADHM CC[C@H]1CCc2nc(NC(=O)c3cccc([O-])c3)sc2C1 ZINC000508586928 340247073 /nfs/dbraw/zinc/24/70/73/340247073.db2.gz ICSUAZUSZKLLPG-JTQLQIEISA-N -1 3 302.399 3.616 20 0 DHADHM CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)c1cccs1 ZINC000508941682 340256062 /nfs/dbraw/zinc/25/60/62/340256062.db2.gz LGWAPPAJYITTQY-UHFFFAOYSA-N -1 3 309.818 3.701 20 0 DHADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000509092724 340261068 /nfs/dbraw/zinc/26/10/68/340261068.db2.gz COHMCBISQYZUSZ-UHFFFAOYSA-N -1 3 323.314 3.774 20 0 DHADHM CSc1ccc(N(C)C(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000509148304 340262405 /nfs/dbraw/zinc/26/24/05/340262405.db2.gz AKEPEGBUKRDVPZ-UHFFFAOYSA-N -1 3 321.829 3.973 20 0 DHADHM COc1cccc(C(=O)Nc2nc3ccc(C)cc3s2)c1[O-] ZINC000301994486 340265980 /nfs/dbraw/zinc/26/59/80/340265980.db2.gz FVVFCNWKFHEAOK-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000302844209 340283723 /nfs/dbraw/zinc/28/37/23/340283723.db2.gz NIZRVUMRYNXPLM-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000303084330 340301025 /nfs/dbraw/zinc/30/10/25/340301025.db2.gz WYRKCIVFQBWTHU-ZDUSSCGKSA-N -1 3 323.396 3.561 20 0 DHADHM CC[C@H](CC1CCCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000511540725 340330039 /nfs/dbraw/zinc/33/00/39/340330039.db2.gz MLYJDDUDROMPOC-SNVBAGLBSA-N -1 3 318.343 3.759 20 0 DHADHM CC[C@H](CC1CCCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000511540725 340330040 /nfs/dbraw/zinc/33/00/40/340330040.db2.gz MLYJDDUDROMPOC-SNVBAGLBSA-N -1 3 318.343 3.759 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc([O-])ccc1Cl ZINC000511668527 340334719 /nfs/dbraw/zinc/33/47/19/340334719.db2.gz UVKJPTGJEXPILH-SWLSCSKDSA-N -1 3 322.191 3.985 20 0 DHADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511928390 340342998 /nfs/dbraw/zinc/34/29/98/340342998.db2.gz WHHFCJGRABGCMV-NXEZZACHSA-N -1 3 307.868 3.506 20 0 DHADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1cc(F)ccc1F ZINC000303786651 340346905 /nfs/dbraw/zinc/34/69/05/340346905.db2.gz DRCJWHNRIFEZIS-AWEZNQCLSA-N -1 3 321.323 3.560 20 0 DHADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000176389619 340427166 /nfs/dbraw/zinc/42/71/66/340427166.db2.gz GXJPVVGWNCPJFJ-STQMWFEESA-N -1 3 316.376 3.523 20 0 DHADHM C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000178449467 340449589 /nfs/dbraw/zinc/44/95/89/340449589.db2.gz OZFFVGGAUJFUKV-GFCCVEGCSA-N -1 3 303.789 3.808 20 0 DHADHM C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000178495243 340450106 /nfs/dbraw/zinc/45/01/06/340450106.db2.gz YZYMHSHUIOQYAE-LBPRGKRZSA-N -1 3 315.800 3.734 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)Nc2c([O-])cccc2Cl)nc1 ZINC000520835970 340458574 /nfs/dbraw/zinc/45/85/74/340458574.db2.gz BNDHNUSHYSTSPY-UHFFFAOYSA-N -1 3 320.776 3.870 20 0 DHADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c1 ZINC000517723670 340476110 /nfs/dbraw/zinc/47/61/10/340476110.db2.gz LTAZZPRFZBLXIH-VXGBXAGGSA-N -1 3 319.829 3.632 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000183034550 340486165 /nfs/dbraw/zinc/48/61/65/340486165.db2.gz YMQZMELKQUVQQH-OXQOHEQNSA-N -1 3 307.393 3.933 20 0 DHADHM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cccc([O-])c1 ZINC000183201946 340486988 /nfs/dbraw/zinc/48/69/88/340486988.db2.gz QHAWYRURBJCDJW-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183238274 340487047 /nfs/dbraw/zinc/48/70/47/340487047.db2.gz XZQBTBFYZBFSBB-UHFFFAOYSA-N -1 3 317.360 3.981 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(C)c1 ZINC000229338391 340612797 /nfs/dbraw/zinc/61/27/97/340612797.db2.gz IRJOUMJCJHFTHN-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229363360 340613006 /nfs/dbraw/zinc/61/30/06/340613006.db2.gz IDAZUKLLAINRLZ-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000528958388 340740793 /nfs/dbraw/zinc/74/07/93/340740793.db2.gz HRVDCTUQWMARBN-CABZTGNLSA-N -1 3 312.207 3.558 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)c2c([O-])cccc21 ZINC000529053269 340743681 /nfs/dbraw/zinc/74/36/81/340743681.db2.gz DUGQQHFQJKCODR-OCCSQVGLSA-N -1 3 317.429 3.826 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)c([O-])c1 ZINC000126511238 340827901 /nfs/dbraw/zinc/82/79/01/340827901.db2.gz XVZAULCTQYMULF-UHFFFAOYSA-N -1 3 311.337 3.729 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc2ccc(Cl)cc2[nH]1 ZINC000128233469 340862533 /nfs/dbraw/zinc/86/25/33/340862533.db2.gz KAJYEXDSOFXWFO-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)c1 ZINC000539865500 340907672 /nfs/dbraw/zinc/90/76/72/340907672.db2.gz YPQHYIJTRMBGFY-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(OCC2CC2)cc1 ZINC000129719966 340984333 /nfs/dbraw/zinc/98/43/33/340984333.db2.gz DMTDRWGLUAAHIR-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000542682426 341017151 /nfs/dbraw/zinc/01/71/51/341017151.db2.gz WIPBRJMSBMUQES-CXAGYDPISA-N -1 3 310.397 3.573 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1F ZINC000543020730 341028467 /nfs/dbraw/zinc/02/84/67/341028467.db2.gz BKRDZEOYTPYWOB-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-c2ccccc2)o1 ZINC000543322211 341040134 /nfs/dbraw/zinc/04/01/34/341040134.db2.gz BRQCQPDTIFZBSY-UHFFFAOYSA-N -1 3 311.312 3.721 20 0 DHADHM O=C(CSc1c(F)cc(F)cc1F)Nc1ccccc1[O-] ZINC000543763192 341057563 /nfs/dbraw/zinc/05/75/63/341057563.db2.gz DFBMYWHURRFTLE-UHFFFAOYSA-N -1 3 313.300 3.540 20 0 DHADHM C[C@H](c1ccco1)N(C)Cc1cc([O-])ccc1Br ZINC000131118137 341061786 /nfs/dbraw/zinc/06/17/86/341061786.db2.gz GKRHFKJXTKZZMD-SNVBAGLBSA-N -1 3 310.191 3.941 20 0 DHADHM CCCC[C@H](CC)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131608299 341101374 /nfs/dbraw/zinc/10/13/74/341101374.db2.gz WRLAAGLIPFSOPI-LBPRGKRZSA-N -1 3 307.463 3.633 20 0 DHADHM Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c(CN(C)C)c1 ZINC000073129243 341113278 /nfs/dbraw/zinc/11/32/78/341113278.db2.gz NGYUPAXMNUHVGT-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1csc(=O)[n-]1 ZINC000545309532 341120404 /nfs/dbraw/zinc/12/04/04/341120404.db2.gz NQURZHQWJVNSMC-CQSZACIVSA-N -1 3 320.389 3.649 20 0 DHADHM Cc1cccc(C)c1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000545501852 341127500 /nfs/dbraw/zinc/12/75/00/341127500.db2.gz PDSOBJAEMNZJFL-ZDUSSCGKSA-N -1 3 316.376 3.709 20 0 DHADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCN(C)c4ccccc43)no2)c1 ZINC000545647391 341134754 /nfs/dbraw/zinc/13/47/54/341134754.db2.gz OPRVBXUQJQASRF-CQSZACIVSA-N -1 3 321.380 3.722 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000132744265 341144462 /nfs/dbraw/zinc/14/44/62/341144462.db2.gz WNBODIYGUXEDSK-KGLIPLIRSA-N -1 3 319.763 3.605 20 0 DHADHM CCc1cccc(-c2nc([C@H]3OCCc4ccccc43)no2)c1[O-] ZINC000546416794 341167273 /nfs/dbraw/zinc/16/72/73/341167273.db2.gz BZGWGFCJNICEQC-KRWDZBQOSA-N -1 3 322.364 3.667 20 0 DHADHM O=C(Nc1ccc(-c2cnco2)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000133287350 341169600 /nfs/dbraw/zinc/16/96/00/341169600.db2.gz MOHHJFBFFYZTIL-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1ccc(-c2cnco2)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000133287350 341169601 /nfs/dbraw/zinc/16/96/01/341169601.db2.gz MOHHJFBFFYZTIL-UHFFFAOYSA-N -1 3 320.308 3.577 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1F ZINC000075472792 341176654 /nfs/dbraw/zinc/17/66/54/341176654.db2.gz DLLVYQUAWGNXDH-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM Cc1ccc(NC(=O)CSc2nccc3ccccc32)c([O-])c1 ZINC000133848395 341193467 /nfs/dbraw/zinc/19/34/67/341193467.db2.gz OFVBDTXTSUCLCL-UHFFFAOYSA-N -1 3 324.405 3.980 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc4cnn(C)c4c3)no2)c1[O-] ZINC000547122663 341196770 /nfs/dbraw/zinc/19/67/70/341196770.db2.gz BLLBZYKIXRGJED-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1COc2ccccc21 ZINC000134144020 341207682 /nfs/dbraw/zinc/20/76/82/341207682.db2.gz BXSMPJJXCQVTCP-LLVKDONJSA-N -1 3 323.270 3.526 20 0 DHADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000134210630 341209663 /nfs/dbraw/zinc/20/96/63/341209663.db2.gz STOZKBVVMPIJBK-SNVBAGLBSA-N -1 3 323.314 3.620 20 0 DHADHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc([O-])cc1F ZINC000547488133 341216785 /nfs/dbraw/zinc/21/67/85/341216785.db2.gz ORISHCGRUJSAOI-UHFFFAOYSA-N -1 3 310.328 3.503 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1[O-] ZINC000547818105 341234617 /nfs/dbraw/zinc/23/46/17/341234617.db2.gz RYAHZQWHLAYJFO-OAHLLOKOSA-N -1 3 316.426 3.697 20 0 DHADHM CCC1(CC)[C@H](N(C)Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1OC ZINC000564350636 341260660 /nfs/dbraw/zinc/26/06/60/341260660.db2.gz NUBYMPRWZRBLFW-CVEARBPZSA-N -1 3 323.408 3.549 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cncc(-c2ccccc2)c1 ZINC000136918010 341269031 /nfs/dbraw/zinc/26/90/31/341269031.db2.gz OLHAFDDRFPMXIM-UHFFFAOYSA-N -1 3 322.339 3.523 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000081459814 341291719 /nfs/dbraw/zinc/29/17/19/341291719.db2.gz ZLSSPOGMLSQTGM-UHFFFAOYSA-N -1 3 308.337 3.532 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC000081459922 341291820 /nfs/dbraw/zinc/29/18/20/341291820.db2.gz CVOPQYRTXPNCKF-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245967070 341320334 /nfs/dbraw/zinc/32/03/34/341320334.db2.gz YVTRNGHEQBHUFV-SOUVJXGZSA-N -1 3 305.393 3.754 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CCCOCC3)n2)c2ccccc12 ZINC000551605995 341347133 /nfs/dbraw/zinc/34/71/33/341347133.db2.gz ONTUMNLHHHJSKK-LBPRGKRZSA-N -1 3 310.353 3.880 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncoc1C1CC1 ZINC000551897997 341354420 /nfs/dbraw/zinc/35/44/20/341354420.db2.gz KAYNZMCCANFESY-UHFFFAOYSA-N -1 3 312.247 3.529 20 0 DHADHM CC[C@@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000551920138 341355061 /nfs/dbraw/zinc/35/50/61/341355061.db2.gz FUYAQKKCZQHBCT-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM Cc1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c([O-])c1 ZINC000248126180 341373621 /nfs/dbraw/zinc/37/36/21/341373621.db2.gz WZEMBOFMRIHDLP-HNNXBMFYSA-N -1 3 313.397 3.598 20 0 DHADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000552183845 341376325 /nfs/dbraw/zinc/37/63/25/341376325.db2.gz ZTQILYJXMMATEZ-MWLCHTKSSA-N -1 3 315.291 3.832 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@H](C)c2cccc(F)c2)c1[O-] ZINC000552286698 341384297 /nfs/dbraw/zinc/38/42/97/341384297.db2.gz VYHHFXLHRYIXAJ-NSHDSACASA-N -1 3 315.344 3.866 20 0 DHADHM Cc1nc(CCCC(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000552432708 341393382 /nfs/dbraw/zinc/39/33/82/341393382.db2.gz XOHZEQFTDJRVBC-UHFFFAOYSA-N -1 3 310.806 3.772 20 0 DHADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1c([O-])cccc1Cl)C2 ZINC000552432420 341393407 /nfs/dbraw/zinc/39/34/07/341393407.db2.gz JQVPVIAHOYXEPI-HNNXBMFYSA-N -1 3 317.772 3.605 20 0 DHADHM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cccc([O-])c1 ZINC000552713637 341402564 /nfs/dbraw/zinc/40/25/64/341402564.db2.gz HKNDGICPTADMHA-UHFFFAOYSA-N -1 3 301.773 3.855 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(OC(F)F)c2)ccc1[O-] ZINC000553326555 341425746 /nfs/dbraw/zinc/42/57/46/341425746.db2.gz KOQUIWOVOARADB-UHFFFAOYSA-N -1 3 307.296 3.808 20 0 DHADHM CCC(CC)(OC)c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000555008532 341472743 /nfs/dbraw/zinc/47/27/43/341472743.db2.gz ANQVCJDJYOYFFY-UHFFFAOYSA-N -1 3 322.380 3.751 20 0 DHADHM O=C(/C=C\c1cncc([O-])c1)N1CCCCC[C@H]1c1ccco1 ZINC000255039897 341500491 /nfs/dbraw/zinc/50/04/91/341500491.db2.gz VRUZCAYVAAJZCP-PTZVLDCSSA-N -1 3 312.369 3.537 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000156084329 341616933 /nfs/dbraw/zinc/61/69/33/341616933.db2.gz ZKLLFSGIGJYHNN-SFHVURJKSA-N -1 3 324.424 3.744 20 0 DHADHM CC(C)(C)[C@@H](CNCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000277512625 341665208 /nfs/dbraw/zinc/66/52/08/341665208.db2.gz YHQHUPLOROEQKF-SNVBAGLBSA-N -1 3 301.789 3.706 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000176397444 341872293 /nfs/dbraw/zinc/87/22/93/341872293.db2.gz YOWDYIWYOYYTJN-UHFFFAOYSA-N -1 3 303.427 3.975 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192780468 341887501 /nfs/dbraw/zinc/88/75/01/341887501.db2.gz KHBMTNTXIJSZGH-OLZOCXBDSA-N -1 3 311.385 3.957 20 0 DHADHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1ccc(F)cc1F ZINC000577165478 341892979 /nfs/dbraw/zinc/89/29/79/341892979.db2.gz UDZJMJRLIWTCMT-QGZVFWFLSA-N -1 3 319.351 3.531 20 0 DHADHM CC1(C)CCC[C@@H](CN[C@H](C(=O)[O-])c2c(F)cccc2F)C1 ZINC000577339154 341904913 /nfs/dbraw/zinc/90/49/13/341904913.db2.gz QSWHTUVCPPJCGT-ABAIWWIYSA-N -1 3 311.372 3.897 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1coc(Br)c1 ZINC000348135320 341944437 /nfs/dbraw/zinc/94/44/37/341944437.db2.gz IIYATWAOBAYLRR-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM CC(C)Sc1ccccc1NC([O-])=NOCc1cccnc1 ZINC000183019032 519788382 /nfs/dbraw/zinc/78/83/82/519788382.db2.gz YBKVEIZROYYQEQ-UHFFFAOYSA-N -1 3 317.414 3.835 20 0 DHADHM CC(C)Sc1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000183019032 519788383 /nfs/dbraw/zinc/78/83/83/519788383.db2.gz YBKVEIZROYYQEQ-UHFFFAOYSA-N -1 3 317.414 3.835 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000365008257 520081401 /nfs/dbraw/zinc/08/14/01/520081401.db2.gz LKTFMZQTKAFVCJ-INIZCTEOSA-N -1 3 310.397 3.635 20 0 DHADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000365036920 520097150 /nfs/dbraw/zinc/09/71/50/520097150.db2.gz OHPBTPLHBKYCFS-MRXNPFEDSA-N -1 3 310.397 3.635 20 0 DHADHM CCCOc1cc(F)ccc1NC([O-])=NOCCC(F)(F)F ZINC000157594586 520311669 /nfs/dbraw/zinc/31/16/69/520311669.db2.gz KSQPAGMTFSCALV-UHFFFAOYSA-N -1 3 324.274 3.620 20 0 DHADHM CCCOc1cc(F)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157594586 520311678 /nfs/dbraw/zinc/31/16/78/520311678.db2.gz KSQPAGMTFSCALV-UHFFFAOYSA-N -1 3 324.274 3.620 20 0 DHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000155792471 520672663 /nfs/dbraw/zinc/67/26/63/520672663.db2.gz QUVRNJIMAFIOMM-CXAGYDPISA-N -1 3 312.413 3.569 20 0 DHADHM CCC(CC)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)SC ZINC000266398078 521438353 /nfs/dbraw/zinc/43/83/53/521438353.db2.gz WZXDSYKDTBBNCY-UHFFFAOYSA-N -1 3 318.442 3.592 20 0 DHADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188422981 524170682 /nfs/dbraw/zinc/17/06/82/524170682.db2.gz AXOLDJZCYJGMAE-NOZJJQNGSA-N -1 3 301.308 3.720 20 0 DHADHM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189059021 524207858 /nfs/dbraw/zinc/20/78/58/524207858.db2.gz DJTZYDRUYDHJEZ-UWVGGRQHSA-N -1 3 301.308 3.720 20 0 DHADHM CSCCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126603716 525408948 /nfs/dbraw/zinc/40/89/48/525408948.db2.gz RBKIYYSTRGDRKB-UHFFFAOYSA-N -1 3 318.236 3.627 20 0 DHADHM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000365674863 525468146 /nfs/dbraw/zinc/46/81/46/525468146.db2.gz DJPRKBIEEAGEHH-BDJLRTHQSA-N -1 3 316.788 3.664 20 0 DHADHM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153418434 525912906 /nfs/dbraw/zinc/91/29/06/525912906.db2.gz ZOTFNTUKRVPNTF-LLVKDONJSA-N -1 3 305.761 3.589 20 0 DHADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267189117 526221870 /nfs/dbraw/zinc/22/18/70/526221870.db2.gz BCLFITMAKSKPJJ-GXTWGEPZSA-N -1 3 312.413 3.885 20 0 DHADHM [O-]c1cccc(CNCc2cccc(-n3ccnc3)c2)c1Cl ZINC000339266059 526361277 /nfs/dbraw/zinc/36/12/77/526361277.db2.gz ULXNUERNDUICSK-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM c1cc(-c2nc(C[N-]c3nc(C4CC4)no3)cs2)cs1 ZINC000181984151 526414031 /nfs/dbraw/zinc/41/40/31/526414031.db2.gz CMVSWVRCSIKIND-UHFFFAOYSA-N -1 3 304.400 3.744 20 0 DHADHM O=C([N-]c1cc(Cl)ccc1F)c1nc2cccnc2s1 ZINC000338165231 527112050 /nfs/dbraw/zinc/11/20/50/527112050.db2.gz SMDCPCTZMWLALA-UHFFFAOYSA-N -1 3 307.737 3.736 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000267378999 527127404 /nfs/dbraw/zinc/12/74/04/527127404.db2.gz UHIVOXZKINSJQF-DTWKUNHWSA-N -1 3 305.271 3.839 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1cnc([C@@H](C)O)s1 ZINC000283521808 535121331 /nfs/dbraw/zinc/12/13/31/535121331.db2.gz SMGCGVOHRKGLAE-SNVBAGLBSA-N -1 3 322.455 3.949 20 0 DHADHM CN(C(=O)c1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288952183 536068847 /nfs/dbraw/zinc/06/88/47/536068847.db2.gz PFOHYSWUPINKLY-PHIMTYICSA-N -1 3 301.308 3.585 20 0 DHADHM Fc1cccc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000822791541 599053823 /nfs/dbraw/zinc/05/38/23/599053823.db2.gz JCTZYGJECYKSGT-INIZCTEOSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1cccc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000822791541 599053827 /nfs/dbraw/zinc/05/38/27/599053827.db2.gz JCTZYGJECYKSGT-INIZCTEOSA-N -1 3 323.375 3.959 20 0 DHADHM Cc1c2ccccc2oc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000737212012 599058265 /nfs/dbraw/zinc/05/82/65/599058265.db2.gz OOXJNDAYNOSJPS-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1c2ccccc2oc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000737212012 599058268 /nfs/dbraw/zinc/05/82/68/599058268.db2.gz OOXJNDAYNOSJPS-UHFFFAOYSA-N -1 3 323.331 3.673 20 0 DHADHM Cc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737427330 599064189 /nfs/dbraw/zinc/06/41/89/599064189.db2.gz CPMNRRMCTNFLJD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737427330 599064192 /nfs/dbraw/zinc/06/41/92/599064192.db2.gz CPMNRRMCTNFLJD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737178984 599233049 /nfs/dbraw/zinc/23/30/49/599233049.db2.gz GRJAWXKRLYTFBI-MWLCHTKSSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737178984 599233052 /nfs/dbraw/zinc/23/30/52/599233052.db2.gz GRJAWXKRLYTFBI-MWLCHTKSSA-N -1 3 323.853 3.606 20 0 DHADHM CCCC[C@@H](CC)CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736439670 599241687 /nfs/dbraw/zinc/24/16/87/599241687.db2.gz YPNUNMTYPUMCMF-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCC[C@@H](CC)CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736439670 599241688 /nfs/dbraw/zinc/24/16/88/599241688.db2.gz YPNUNMTYPUMCMF-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc2ccccc2c1 ZINC000823801818 607308759 /nfs/dbraw/zinc/30/87/59/607308759.db2.gz CECVXSIBYAYYMD-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM COc1ccc(CNc2ccccc2C(C)C)cc1-c1nnn[n-]1 ZINC000821824577 607310891 /nfs/dbraw/zinc/31/08/91/607310891.db2.gz NNOJUIKAPOBIDB-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1ccc(CNc2ccccc2C(C)C)cc1-c1nn[n-]n1 ZINC000821824577 607310892 /nfs/dbraw/zinc/31/08/92/607310892.db2.gz NNOJUIKAPOBIDB-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824756301 607844570 /nfs/dbraw/zinc/84/45/70/607844570.db2.gz NVSZWWNGNQXOEJ-RXMQYKEDSA-N -1 3 308.716 3.563 20 0 DHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824756301 607844571 /nfs/dbraw/zinc/84/45/71/607844571.db2.gz NVSZWWNGNQXOEJ-RXMQYKEDSA-N -1 3 308.716 3.563 20 0 DHADHM CC(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735929442 598242004 /nfs/dbraw/zinc/24/20/04/598242004.db2.gz ZEVOCQHOXXLDPD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)C[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735762018 598494515 /nfs/dbraw/zinc/49/45/15/598494515.db2.gz TYJGALMXRRYFLY-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)C[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735762018 598494516 /nfs/dbraw/zinc/49/45/16/598494516.db2.gz TYJGALMXRRYFLY-JTQLQIEISA-N -1 3 321.812 3.531 20 0 DHADHM Clc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000737575578 598629009 /nfs/dbraw/zinc/62/90/09/598629009.db2.gz NEDSDYXJRNQQDI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000737575578 598629010 /nfs/dbraw/zinc/62/90/10/598629010.db2.gz NEDSDYXJRNQQDI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Fc1ccc(CSc2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000737651509 598646084 /nfs/dbraw/zinc/64/60/84/598646084.db2.gz XJZAACKVPVBMEX-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(CSc2cccc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000737651509 598646085 /nfs/dbraw/zinc/64/60/85/598646085.db2.gz XJZAACKVPVBMEX-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Cc1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737397345 598694645 /nfs/dbraw/zinc/69/46/45/598694645.db2.gz WAUUVHMTMZLCFY-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM Cc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737397345 598694646 /nfs/dbraw/zinc/69/46/46/598694646.db2.gz WAUUVHMTMZLCFY-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM Cc1sc(NC(=O)CCCC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000737561709 598735045 /nfs/dbraw/zinc/73/50/45/598735045.db2.gz KMHXRTMECSBMHU-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM Cc1sc(NC(=O)CCCC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737561709 598735046 /nfs/dbraw/zinc/73/50/46/598735046.db2.gz KMHXRTMECSBMHU-UHFFFAOYSA-N -1 3 321.450 3.700 20 0 DHADHM Clc1ccc(N[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737573072 598791694 /nfs/dbraw/zinc/79/16/94/598791694.db2.gz FCEKOWYJSISDFM-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1ccc(N[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737573072 598791695 /nfs/dbraw/zinc/79/16/95/598791695.db2.gz FCEKOWYJSISDFM-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM Cc1ccccc1[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000737420203 598815481 /nfs/dbraw/zinc/81/54/81/598815481.db2.gz HIDJRRNUGWRAHU-GFCCVEGCSA-N -1 3 311.364 3.512 20 0 DHADHM Cc1ccccc1[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000737420203 598815482 /nfs/dbraw/zinc/81/54/82/598815482.db2.gz HIDJRRNUGWRAHU-GFCCVEGCSA-N -1 3 311.364 3.512 20 0 DHADHM C[C@@H](SCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190980 599330636 /nfs/dbraw/zinc/33/06/36/599330636.db2.gz UQQZJYPWLLMVQG-LLVKDONJSA-N -1 3 316.455 3.965 20 0 DHADHM C[C@@H](SCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190980 599330638 /nfs/dbraw/zinc/33/06/38/599330638.db2.gz UQQZJYPWLLMVQG-LLVKDONJSA-N -1 3 316.455 3.965 20 0 DHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820173337 599368303 /nfs/dbraw/zinc/36/83/03/599368303.db2.gz ALOAOIHTEISGLT-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820173337 599368306 /nfs/dbraw/zinc/36/83/06/599368306.db2.gz ALOAOIHTEISGLT-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCc3ccccc32)c1 ZINC000737570479 599400007 /nfs/dbraw/zinc/40/00/07/599400007.db2.gz IBNDTFVHMVLEEH-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCc3ccccc32)c1 ZINC000737570479 599400010 /nfs/dbraw/zinc/40/00/10/599400010.db2.gz IBNDTFVHMVLEEH-CQSZACIVSA-N -1 3 311.776 3.620 20 0 DHADHM CC(C)(C)C[C@@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819907042 599505538 /nfs/dbraw/zinc/50/55/38/599505538.db2.gz LKNPCRKTJXVHHC-NSHDSACASA-N -1 3 321.375 3.550 20 0 DHADHM CC(C)(C)C[C@@H]1CCCN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819907042 599505535 /nfs/dbraw/zinc/50/55/35/599505535.db2.gz LKNPCRKTJXVHHC-NSHDSACASA-N -1 3 321.375 3.550 20 0 DHADHM C[C@@H](SCc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000736192755 599521641 /nfs/dbraw/zinc/52/16/41/599521641.db2.gz MAQPUBVVTNVYQS-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM C[C@@H](SCc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000736192755 599521644 /nfs/dbraw/zinc/52/16/44/599521644.db2.gz MAQPUBVVTNVYQS-SNVBAGLBSA-N -1 3 302.428 3.923 20 0 DHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737424855 599529378 /nfs/dbraw/zinc/52/93/78/599529378.db2.gz YCOFDPNLPHFNND-GOEBONIOSA-N -1 3 319.412 3.558 20 0 DHADHM Cc1ccc(C)n1C1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000738956441 599715032 /nfs/dbraw/zinc/71/50/32/599715032.db2.gz AWXQBOIFRALHMH-UHFFFAOYSA-N -1 3 316.401 3.542 20 0 DHADHM O=C([O-])[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000387675293 599758841 /nfs/dbraw/zinc/75/88/41/599758841.db2.gz CSVGBRUODZITEX-CQSZACIVSA-N -1 3 309.287 3.621 20 0 DHADHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000738773845 599792186 /nfs/dbraw/zinc/79/21/86/599792186.db2.gz XUOILJNSSGCZRB-OAHLLOKOSA-N -1 3 323.314 3.929 20 0 DHADHM O=C([O-])c1coc(CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000578242424 599848927 /nfs/dbraw/zinc/84/89/27/599848927.db2.gz WTRVAUIKZOXLKY-CQSZACIVSA-N -1 3 319.788 3.838 20 0 DHADHM CN(Cc1ccccc1OC(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737494161 600209706 /nfs/dbraw/zinc/20/97/06/600209706.db2.gz MCWANIJJJUWFMH-OAHLLOKOSA-N -1 3 321.323 3.546 20 0 DHADHM Cc1c(Cl)c(CN(CCC(=O)[O-])C(C)C)nc2ccccc12 ZINC000314458047 600220248 /nfs/dbraw/zinc/22/02/48/600220248.db2.gz APKYNOPVPWPWND-UHFFFAOYSA-N -1 3 320.820 3.882 20 0 DHADHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2cccc(Cl)c2)n1 ZINC000386537221 600221011 /nfs/dbraw/zinc/22/10/11/600221011.db2.gz ZBICWBPQBPBRCE-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000736662074 600416665 /nfs/dbraw/zinc/41/66/65/600416665.db2.gz LHYLWOXGIIOJKU-BONVTDFDSA-N -1 3 307.752 3.956 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccc(F)cc1 ZINC000739505115 600428588 /nfs/dbraw/zinc/42/85/88/600428588.db2.gz ATZNYVFBZHTJAR-HZPDHXFCSA-N -1 3 319.763 3.882 20 0 DHADHM CCOc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737211343 600429977 /nfs/dbraw/zinc/42/99/77/600429977.db2.gz RWBQHMLUNHFXEO-SJKOYZFVSA-N -1 3 317.360 3.701 20 0 DHADHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951507 600430047 /nfs/dbraw/zinc/43/00/47/600430047.db2.gz WLVKHLUWIRGYOH-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])[C@@H](NCc1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000739499769 600431014 /nfs/dbraw/zinc/43/10/14/600431014.db2.gz JWRRUAZCCLFKKK-INIZCTEOSA-N -1 3 314.772 3.737 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000736717670 600643384 /nfs/dbraw/zinc/64/33/84/600643384.db2.gz PEQJOWWVUUEETJ-UKRRQHHQSA-N -1 3 315.369 3.582 20 0 DHADHM Cc1ccc(SCCN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832957167 600733062 /nfs/dbraw/zinc/73/30/62/600733062.db2.gz BIDQSUHHWCPVAE-MRXNPFEDSA-N -1 3 319.401 3.642 20 0 DHADHM Cc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832966661 600750455 /nfs/dbraw/zinc/75/04/55/600750455.db2.gz VOSNRCFBAAKQLX-DYVFJYSZSA-N -1 3 301.361 3.919 20 0 DHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccoc2C(=O)[O-])C1 ZINC000581553728 600836373 /nfs/dbraw/zinc/83/63/73/600836373.db2.gz BVEOHZMQNXKUOZ-NHYWBVRUSA-N -1 3 303.333 3.700 20 0 DHADHM C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccoc2C(=O)[O-])C1 ZINC000579483884 600840014 /nfs/dbraw/zinc/84/00/14/600840014.db2.gz CCSSTHBXWIWZKG-XHDPSFHLSA-N -1 3 303.333 3.700 20 0 DHADHM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccoc2C(=O)[O-])o1 ZINC000652438736 600857770 /nfs/dbraw/zinc/85/77/70/600857770.db2.gz AYPWLRWHRDKHFT-RISCZKNCSA-N -1 3 303.358 3.852 20 0 DHADHM COc1ccc(Cl)cc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000832367558 601140979 /nfs/dbraw/zinc/14/09/79/601140979.db2.gz IHRXGBSXQXEULV-INIZCTEOSA-N -1 3 319.788 3.606 20 0 DHADHM Cc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000832871686 601370287 /nfs/dbraw/zinc/37/02/87/601370287.db2.gz VOVQORFIRKTYGI-BDJLRTHQSA-N -1 3 305.324 3.750 20 0 DHADHM C[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000828461937 601538663 /nfs/dbraw/zinc/53/86/63/601538663.db2.gz FODMDJDQDLAVGK-VXGBXAGGSA-N -1 3 316.426 3.596 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccc(OC)cc1 ZINC000829723019 601619409 /nfs/dbraw/zinc/61/94/09/601619409.db2.gz XDHGRWMPNLTVOO-UHFFFAOYSA-N -1 3 319.426 3.785 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1coc(-c2ccc(F)cc2)n1 ZINC000828804742 601634064 /nfs/dbraw/zinc/63/40/64/601634064.db2.gz RRXQQUJAFDAWML-UHFFFAOYSA-N -1 3 320.364 3.604 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000520240361 601806734 /nfs/dbraw/zinc/80/67/34/601806734.db2.gz UJTRJXSLXYFAAL-LLVKDONJSA-N -1 3 305.399 3.648 20 0 DHADHM O=C([O-])c1ccc(CN(Cc2ccc(F)cc2)C2CC2)s1 ZINC000568281543 601938317 /nfs/dbraw/zinc/93/83/17/601938317.db2.gz OXACSUYHIJMGAF-UHFFFAOYSA-N -1 3 305.374 3.750 20 0 DHADHM Cc1ccccc1CN(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000832980025 601945948 /nfs/dbraw/zinc/94/59/48/601945948.db2.gz SWGHQYSOHNRRTO-UHFFFAOYSA-N -1 3 301.411 3.919 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1csc(-c2ccc(C)o2)n1 ZINC000828804765 602210582 /nfs/dbraw/zinc/21/05/82/602210582.db2.gz SHCGOHSJXIPJDP-UHFFFAOYSA-N -1 3 322.430 3.835 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826273908 607644961 /nfs/dbraw/zinc/64/49/61/607644961.db2.gz ZOEXIWLESOSYMS-UHFFFAOYSA-N -1 3 309.354 3.559 20 0 DHADHM Cc1ccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826273908 607644963 /nfs/dbraw/zinc/64/49/63/607644963.db2.gz ZOEXIWLESOSYMS-UHFFFAOYSA-N -1 3 309.354 3.559 20 0 DHADHM C[C@]1(NCc2coc(-c3cccs3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833569853 604817248 /nfs/dbraw/zinc/81/72/48/604817248.db2.gz PQJGDBOTYNZPTE-WBMJQRKESA-N -1 3 320.414 3.526 20 0 DHADHM CC(C)Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826913429 604985420 /nfs/dbraw/zinc/98/54/20/604985420.db2.gz WBOJQFWOTKLXJQ-KBXCAEBGSA-N -1 3 312.413 3.757 20 0 DHADHM CC(C)(C)c1nc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])cs1 ZINC000833450654 605061325 /nfs/dbraw/zinc/06/13/25/605061325.db2.gz HFSPFMVCSQWIKE-BLLLJJGKSA-N -1 3 310.463 3.564 20 0 DHADHM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1ccc(OC)cc1 ZINC000833644548 605063058 /nfs/dbraw/zinc/06/30/58/605063058.db2.gz QQVPYXRVPLUCHS-OAHLLOKOSA-N -1 3 303.358 3.536 20 0 DHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccs2)cc1 ZINC000825397906 605118034 /nfs/dbraw/zinc/11/80/34/605118034.db2.gz ROBPXMULSRTNIA-NEPJUHHUSA-N -1 3 304.415 3.928 20 0 DHADHM CC(C)[C@H](C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000515306235 605203418 /nfs/dbraw/zinc/20/34/18/605203418.db2.gz ZZOJVVXPALUNAJ-LBPRGKRZSA-N -1 3 302.374 3.516 20 0 DHADHM CC(C)C[C@H](NCc1ccccc1CC(=O)[O-])c1ccccn1 ZINC000833484743 605270002 /nfs/dbraw/zinc/27/00/02/605270002.db2.gz RJGOZPFHWONEBN-SFHVURJKSA-N -1 3 312.413 3.586 20 0 DHADHM c1cc2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2s1 ZINC000826517342 607754133 /nfs/dbraw/zinc/75/41/33/607754133.db2.gz ZCAYMIMUINPAGN-UHFFFAOYSA-N -1 3 313.411 3.755 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1 ZINC000834261766 605565801 /nfs/dbraw/zinc/56/58/01/605565801.db2.gz FGVMHJMOILGJCP-MRXNPFEDSA-N -1 3 300.333 3.693 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000834159473 605789941 /nfs/dbraw/zinc/78/99/41/605789941.db2.gz PTAWASQGCRCXCE-FGTMMUONSA-N -1 3 308.381 3.717 20 0 DHADHM O=C([O-])N[C@H]1C[C@H](NCc2coc3ccccc23)c2ccccc21 ZINC000834157524 605804793 /nfs/dbraw/zinc/80/47/93/605804793.db2.gz JDZWMMGWDHOUIK-IRXDYDNUSA-N -1 3 322.364 3.976 20 0 DHADHM O=C([O-])N(CC1CC1)C1CCN(CCCCC(F)(F)F)CC1 ZINC000834062381 605873061 /nfs/dbraw/zinc/87/30/61/605873061.db2.gz ICMZJVIGZNPFNY-UHFFFAOYSA-N -1 3 322.371 3.573 20 0 DHADHM COc1cccc([C@H](C)Sc2ccccc2-c2nnn[n-]2)c1 ZINC000821859972 606360894 /nfs/dbraw/zinc/36/08/94/606360894.db2.gz VCNOWUKDLMPTBD-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@H](C)Sc2ccccc2-c2nn[n-]n2)c1 ZINC000821859972 606360895 /nfs/dbraw/zinc/36/08/95/606360895.db2.gz VCNOWUKDLMPTBD-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709862 606386684 /nfs/dbraw/zinc/38/66/84/606386684.db2.gz RWAFVIOSZRPYBX-FPLPWBNLSA-N -1 3 305.366 3.647 20 0 DHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc(C(F)F)c1 ZINC000822761683 606455572 /nfs/dbraw/zinc/45/55/72/606455572.db2.gz QWZWRFJYPGECAH-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc(C(F)F)c1 ZINC000822761683 606455573 /nfs/dbraw/zinc/45/55/73/606455573.db2.gz QWZWRFJYPGECAH-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM c1cc(SCCOC2CCCCCC2)cc(-c2nnn[n-]2)c1 ZINC000823762103 607012854 /nfs/dbraw/zinc/01/28/54/607012854.db2.gz IPEAWPVMILNDIW-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM c1cc(SCCOC2CCCCCC2)cc(-c2nn[n-]n2)c1 ZINC000823762103 607012856 /nfs/dbraw/zinc/01/28/56/607012856.db2.gz IPEAWPVMILNDIW-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM C[C@H]1CCCC[C@H]1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000820703386 607015219 /nfs/dbraw/zinc/01/52/19/607015219.db2.gz FIXDELRREGLZAP-SWLSCSKDSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@H]1CCCC[C@H]1OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000820703386 607015221 /nfs/dbraw/zinc/01/52/21/607015221.db2.gz FIXDELRREGLZAP-SWLSCSKDSA-N -1 3 318.446 3.554 20 0 DHADHM FC1(F)CCC[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822737233 607131387 /nfs/dbraw/zinc/13/13/87/607131387.db2.gz RKIWJAJPTVVHPW-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822737233 607131389 /nfs/dbraw/zinc/13/13/89/607131389.db2.gz RKIWJAJPTVVHPW-SECBINFHSA-N -1 3 313.739 3.510 20 0 DHADHM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccs1 ZINC000824662247 608221436 /nfs/dbraw/zinc/22/14/36/608221436.db2.gz GOIVSMKCEXZLIA-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccs1 ZINC000824662247 608221438 /nfs/dbraw/zinc/22/14/38/608221438.db2.gz GOIVSMKCEXZLIA-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM CSc1cccc(NCc2ccccc2-c2nnn[n-]2)c1C ZINC000826230875 608390680 /nfs/dbraw/zinc/39/06/80/608390680.db2.gz NEADANHUDHIXKK-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1cccc(NCc2ccccc2-c2nn[n-]n2)c1C ZINC000826230875 608390682 /nfs/dbraw/zinc/39/06/82/608390682.db2.gz NEADANHUDHIXKK-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000826291437 608449905 /nfs/dbraw/zinc/44/99/05/608449905.db2.gz FUZCVPGGAIZENC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1Cl ZINC000826299660 608451695 /nfs/dbraw/zinc/45/16/95/608451695.db2.gz OXDSKVIRJLMQMQ-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1Cl ZINC000826299660 608451697 /nfs/dbraw/zinc/45/16/97/608451697.db2.gz OXDSKVIRJLMQMQ-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658073 609247130 /nfs/dbraw/zinc/24/71/30/609247130.db2.gz VAGWEIQCORUYDT-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658073 609247132 /nfs/dbraw/zinc/24/71/32/609247132.db2.gz VAGWEIQCORUYDT-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657226 609266947 /nfs/dbraw/zinc/26/69/47/609266947.db2.gz PVOHTNFUHGSPIR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657226 609266948 /nfs/dbraw/zinc/26/69/48/609266948.db2.gz PVOHTNFUHGSPIR-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000826291432 609267539 /nfs/dbraw/zinc/26/75/39/609267539.db2.gz FPWCMTYNALPHSG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000826291432 609267540 /nfs/dbraw/zinc/26/75/40/609267540.db2.gz FPWCMTYNALPHSG-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM FCc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826370208 609268530 /nfs/dbraw/zinc/26/85/30/609268530.db2.gz IGVYZKVRDSCVDJ-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM FCc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826370208 609268531 /nfs/dbraw/zinc/26/85/31/609268531.db2.gz IGVYZKVRDSCVDJ-UHFFFAOYSA-N -1 3 300.362 3.629 20 0 DHADHM CCc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825723335 609346505 /nfs/dbraw/zinc/34/65/05/609346505.db2.gz YQLLLKZOZICNOR-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825723335 609346507 /nfs/dbraw/zinc/34/65/07/609346507.db2.gz YQLLLKZOZICNOR-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826299572 609347050 /nfs/dbraw/zinc/34/70/50/609347050.db2.gz LGBKKOXHOKTPFG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826299572 609347052 /nfs/dbraw/zinc/34/70/52/609347052.db2.gz LGBKKOXHOKTPFG-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657900 609347555 /nfs/dbraw/zinc/34/75/55/609347555.db2.gz SJAMTWAGJGMPAV-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657900 609347557 /nfs/dbraw/zinc/34/75/57/609347557.db2.gz SJAMTWAGJGMPAV-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826291814 609350286 /nfs/dbraw/zinc/35/02/86/609350286.db2.gz XCNHVCDBYBKIBT-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826291814 609350287 /nfs/dbraw/zinc/35/02/87/609350287.db2.gz XCNHVCDBYBKIBT-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccccc1C ZINC000824019751 609419682 /nfs/dbraw/zinc/41/96/82/609419682.db2.gz NDGYEHNAWXPIGV-GFCCVEGCSA-N -1 3 321.384 3.551 20 0 DHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccccc1C ZINC000824019751 609419685 /nfs/dbraw/zinc/41/96/85/609419685.db2.gz NDGYEHNAWXPIGV-GFCCVEGCSA-N -1 3 321.384 3.551 20 0 DHADHM Fc1cccc(F)c1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000826372060 609514849 /nfs/dbraw/zinc/51/48/49/609514849.db2.gz FSMGPEBIGHCDDD-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1cccc(F)c1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000826372060 609514851 /nfs/dbraw/zinc/51/48/51/609514851.db2.gz FSMGPEBIGHCDDD-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Cc1ccnc(N[C@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311584 609562256 /nfs/dbraw/zinc/56/22/56/609562256.db2.gz ISBCNZBKGPDDLA-OAHLLOKOSA-N -1 3 320.400 3.523 20 0 DHADHM Cc1ccnc(N[C@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311584 609562258 /nfs/dbraw/zinc/56/22/58/609562258.db2.gz ISBCNZBKGPDDLA-OAHLLOKOSA-N -1 3 320.400 3.523 20 0 DHADHM CSc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230398 947674879 /nfs/dbraw/zinc/67/48/79/947674879.db2.gz RBOOMAMGSLCPIR-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230398 947674887 /nfs/dbraw/zinc/67/48/87/947674887.db2.gz RBOOMAMGSLCPIR-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM Cc1cnc([C@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826318166 947931499 /nfs/dbraw/zinc/93/14/99/947931499.db2.gz XQWWOANDWLLSCC-QMMMGPOBSA-N -1 3 321.793 3.670 20 0 DHADHM Cc1cnc([C@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826318166 947931504 /nfs/dbraw/zinc/93/15/04/947931504.db2.gz XQWWOANDWLLSCC-QMMMGPOBSA-N -1 3 321.793 3.670 20 0 DHADHM CC(F)(F)c1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC001575240998 948969802 /nfs/dbraw/zinc/96/98/02/948969802.db2.gz AEYCUSGAFZGGDZ-UHFFFAOYSA-N -1 3 321.356 3.652 20 0 DHADHM CC(F)(F)c1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC001575240998 948969812 /nfs/dbraw/zinc/96/98/12/948969812.db2.gz AEYCUSGAFZGGDZ-UHFFFAOYSA-N -1 3 321.356 3.652 20 0 DHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc3cc(C)ccc3s2)C1 ZINC001589606477 949286187 /nfs/dbraw/zinc/28/61/87/949286187.db2.gz QVBPTZRLDCBPQF-QGZVFWFLSA-N -1 3 318.442 3.682 20 0 DHADHM C[C@@H]1CCC[C@H](CCSc2ccncc2-c2nnn[n-]2)C1 ZINC001576156960 949469529 /nfs/dbraw/zinc/46/95/29/949469529.db2.gz YPUNLQJFLHPCKI-VXGBXAGGSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H]1CCC[C@H](CCSc2ccncc2-c2nn[n-]n2)C1 ZINC001576156960 949469542 /nfs/dbraw/zinc/46/95/42/949469542.db2.gz YPUNLQJFLHPCKI-VXGBXAGGSA-N -1 3 303.435 3.570 20 0 DHADHM O=C([O-])[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000263409171 950446697 /nfs/dbraw/zinc/44/66/97/950446697.db2.gz KUBWZWLODJEKPU-LLVKDONJSA-N -1 3 316.228 3.723 20 0 DHADHM CC(C)CCCCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001574195420 950981761 /nfs/dbraw/zinc/98/17/61/950981761.db2.gz NUYOJCUMDURGEN-UHFFFAOYSA-N -1 3 316.453 3.797 20 0 DHADHM CC(C)CCCCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001574195420 950981792 /nfs/dbraw/zinc/98/17/92/950981792.db2.gz NUYOJCUMDURGEN-UHFFFAOYSA-N -1 3 316.453 3.797 20 0 DHADHM O=C([O-])[C@@H]1CN(CCc2cccc(Cl)c2)Cc2ccccc21 ZINC000901623003 956384164 /nfs/dbraw/zinc/38/41/64/956384164.db2.gz PTQAQEAFXZORTI-QGZVFWFLSA-N -1 3 315.800 3.567 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000903682766 956862375 /nfs/dbraw/zinc/86/23/75/956862375.db2.gz ZCFAPHHLSSCHBU-CYBMUJFWSA-N -1 3 321.373 3.589 20 0 DHADHM CCNc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573887753 961311186 /nfs/dbraw/zinc/31/11/86/961311186.db2.gz GYUKJDSMCOZPNK-FUHWJXTLSA-N -1 3 310.397 3.521 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000426638626 1013325312 /nfs/dbraw/zinc/32/53/12/1013325312.db2.gz RQXPQORWXKHUIH-LLVKDONJSA-N -1 3 324.471 3.995 20 0 DHADHM C[C@H]1CC[C@@](CNCc2csc(C(C)(C)C)n2)(CC(=O)[O-])C1 ZINC000426642111 1013327907 /nfs/dbraw/zinc/32/79/07/1013327907.db2.gz FLQXKTHXSXQGET-SJCJKPOMSA-N -1 3 324.490 3.811 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000263428183 962604248 /nfs/dbraw/zinc/60/42/48/962604248.db2.gz RGJCRGPYOYZNBX-KRWDZBQOSA-N -1 3 317.335 3.830 20 0 DHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000048652768 1013381480 /nfs/dbraw/zinc/38/14/80/1013381480.db2.gz KCUDFGRYGBVSDJ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H](CCc1ccccc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315350128 963887761 /nfs/dbraw/zinc/88/77/61/963887761.db2.gz PISGFFZSCLFHBX-NEPJUHHUSA-N -1 3 304.415 3.513 20 0 DHADHM O=c1nc(CN2CCC[C@H]2CC2CCCC2)[n-]c2ccsc21 ZINC000653893243 1013460932 /nfs/dbraw/zinc/46/09/32/1013460932.db2.gz XBIUYRIFDFTNIM-ZDUSSCGKSA-N -1 3 317.458 3.942 20 0 DHADHM Cc1cc(C)c(-c2noc(-c3cc([O-])ccc3Cl)n2)cn1 ZINC000397399269 1013493282 /nfs/dbraw/zinc/49/32/82/1013493282.db2.gz CIJAUOIUGBVIIR-UHFFFAOYSA-N -1 3 301.733 3.774 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2nc(C)c(C)s2)s1 ZINC000683535292 1013593812 /nfs/dbraw/zinc/59/38/12/1013593812.db2.gz WKJVVFGTOFBZPG-UHFFFAOYSA-N -1 3 310.448 3.767 20 0 DHADHM Nc1cc(Br)ncc1Nc1cccc(Cl)c1[O-] ZINC001210218943 1013705955 /nfs/dbraw/zinc/70/59/55/1013705955.db2.gz NEMBLUILKYBVBA-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM CN(CC(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000152298930 1013787191 /nfs/dbraw/zinc/78/71/91/1013787191.db2.gz WCKMINGIWZDQQL-UHFFFAOYSA-N -1 3 307.296 3.522 20 0 DHADHM FC(F)(F)n1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001210358029 1013805822 /nfs/dbraw/zinc/80/58/22/1013805822.db2.gz OBYKDPHJSWPIPJ-UHFFFAOYSA-N -1 3 302.643 3.898 20 0 DHADHM O=C(N[C@@H]1CSc2ccccc21)c1cc([O-])ccc1Cl ZINC000340483100 1013871544 /nfs/dbraw/zinc/87/15/44/1013871544.db2.gz CLBLJFNEGAEYRY-CYBMUJFWSA-N -1 3 305.786 3.622 20 0 DHADHM Cc1cc(F)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000157337384 1022543299 /nfs/dbraw/zinc/54/32/99/1022543299.db2.gz PZNLFSQWTKRNCR-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(/C=C\c1nc2ccccc2s1)Nc1cccc([O-])c1F ZINC000255120494 1014035150 /nfs/dbraw/zinc/03/51/50/1014035150.db2.gz WALMOQJCSFARIA-HJWRWDBZSA-N -1 3 314.341 3.793 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)C3CC3)nc(=O)c2c1C ZINC000748149536 1014036624 /nfs/dbraw/zinc/03/66/24/1014036624.db2.gz HNUHGBFBDZGGHW-IUCAKERBSA-N -1 3 320.414 3.664 20 0 DHADHM Cc1cc(Nc2cccc([O-])c2Cl)n(CC2CCOCC2)n1 ZINC001210855480 1014073885 /nfs/dbraw/zinc/07/38/85/1014073885.db2.gz PYHOQNIMDBYEKJ-UHFFFAOYSA-N -1 3 321.808 3.721 20 0 DHADHM [O-]c1cccc(Nc2cc(F)ccc2OC2COC2)c1Cl ZINC001210859703 1014074332 /nfs/dbraw/zinc/07/43/32/1014074332.db2.gz KTIPGIIKKKCRFY-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc([O-])c2F)s1 ZINC000255423059 1014091253 /nfs/dbraw/zinc/09/12/53/1014091253.db2.gz MKVYUIDDLAFJSS-FPLPWBNLSA-N -1 3 320.389 3.937 20 0 DHADHM CCCC[C@@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC000530172721 974362713 /nfs/dbraw/zinc/36/27/13/974362713.db2.gz OREALGJRKLLEDP-AWEZNQCLSA-N -1 3 315.335 3.707 20 0 DHADHM COc1cc(C(=O)NCC[C@H](C)CC(C)(C)C)cc(OC)c1[O-] ZINC000189476040 1014188118 /nfs/dbraw/zinc/18/81/18/1014188118.db2.gz QNJLQNGGMHWVOL-LBPRGKRZSA-N -1 3 323.433 3.602 20 0 DHADHM O=C([O-])c1sccc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000565103497 974569306 /nfs/dbraw/zinc/56/93/06/974569306.db2.gz FZISAAPQAZOPNN-SNVBAGLBSA-N -1 3 323.364 3.714 20 0 DHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2oncc2C(=O)[O-])cc1 ZINC000567359504 974633027 /nfs/dbraw/zinc/63/30/27/974633027.db2.gz XGYSHTQKCWTJKR-SUMWQHHRSA-N -1 3 314.385 3.654 20 0 DHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189745467 1014212027 /nfs/dbraw/zinc/21/20/27/1014212027.db2.gz LHXPCKMLKPSRRT-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CC[C@H](CSC)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000573733046 974770477 /nfs/dbraw/zinc/77/04/77/974770477.db2.gz CGCKIUCAGRRYQP-SNVBAGLBSA-N -1 3 301.839 3.612 20 0 DHADHM CN(CCCOc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])o1 ZINC000574406745 974782230 /nfs/dbraw/zinc/78/22/30/974782230.db2.gz UKUXNFALQAKOQV-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM C[C@@H](CN(Cc1cccc(Cl)c1Cl)C1CC1)C(=O)[O-] ZINC000575929374 974804028 /nfs/dbraw/zinc/80/40/28/974804028.db2.gz XUAUHTZTABAWBL-VIFPVBQESA-N -1 3 302.201 3.679 20 0 DHADHM CC[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581076890 974904468 /nfs/dbraw/zinc/90/44/68/974904468.db2.gz HTRQBCZGVVNIIV-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@H]1CCC[C@H](C)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000652367031 975515663 /nfs/dbraw/zinc/51/56/63/975515663.db2.gz FIYMMZWQJBDUPU-RYUDHWBXSA-N -1 3 311.809 3.680 20 0 DHADHM Cc1oc(CN2CCC(c3ccccc3C)CC2)cc1C(=O)[O-] ZINC000652409772 975524197 /nfs/dbraw/zinc/52/41/97/975524197.db2.gz AXCMXCMYHIAJSA-UHFFFAOYSA-N -1 3 313.397 3.974 20 0 DHADHM CC(C)c1ccc(SCC(=O)Nc2ncccc2[O-])cc1 ZINC000059289892 1014295536 /nfs/dbraw/zinc/29/55/36/1014295536.db2.gz PXCQFEVPJOEUIK-UHFFFAOYSA-N -1 3 302.399 3.641 20 0 DHADHM O=C([O-])c1cccc(CNCc2cc(Cl)cc(Cl)c2)c1 ZINC000683175917 976079462 /nfs/dbraw/zinc/07/94/62/976079462.db2.gz DCKRKOZQHVKKLP-UHFFFAOYSA-N -1 3 310.180 3.981 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC3(CCC3)C2)c([O-])c1 ZINC000190628942 1014306911 /nfs/dbraw/zinc/30/69/11/1014306911.db2.gz VFBMPCSLMYYEPW-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM CC(C)c1ccccc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001591994556 976634154 /nfs/dbraw/zinc/63/41/54/976634154.db2.gz LHSCELAMDHEHDS-IBGZPJMESA-N -1 3 312.413 3.685 20 0 DHADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001141623171 1014347173 /nfs/dbraw/zinc/34/71/73/1014347173.db2.gz XRZUAWURCNZZAP-XPTSAGLGSA-N -1 3 312.207 3.920 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1ccc(C2CCC2)cc1)c1ccncc1 ZINC001592328609 977749051 /nfs/dbraw/zinc/74/90/51/977749051.db2.gz NFGIJLMPWIXVAA-FQEVSTJZSA-N -1 3 324.424 3.829 20 0 DHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1c(F)c(F)cc(F)c1F ZINC001592445683 978116240 /nfs/dbraw/zinc/11/62/40/978116240.db2.gz PFCDQPQIRNNSBJ-MRVPVSSYSA-N -1 3 321.314 3.612 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)c(F)c(F)c1F ZINC000581040864 1014524848 /nfs/dbraw/zinc/52/48/48/1014524848.db2.gz USXYTBHSIDQTAC-UHFFFAOYSA-N -1 3 319.641 3.854 20 0 DHADHM C[C@@H](CNCc1ccc(/C=C\C(=O)[O-])o1)Sc1ccccc1 ZINC001592712501 979206417 /nfs/dbraw/zinc/20/64/17/979206417.db2.gz ONNMRTCRIFFPAP-XPSMFNQNSA-N -1 3 317.410 3.648 20 0 DHADHM C[C@@H](Oc1cccc([O-])c1Cl)c1cc(Br)no1 ZINC001226710316 1014580628 /nfs/dbraw/zinc/58/06/28/1014580628.db2.gz YNTQDCNQHCGEGC-ZCFIWIBFSA-N -1 3 318.554 3.936 20 0 DHADHM Cc1oc(CN2CCSC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000859789322 979630892 /nfs/dbraw/zinc/63/08/92/979630892.db2.gz NXZVUJUPBMRZPW-UHFFFAOYSA-N -1 3 309.431 3.538 20 0 DHADHM C[C@H](Cc1ccsc1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001592906097 979842090 /nfs/dbraw/zinc/84/20/90/979842090.db2.gz KPYIFFJOBQNCCS-BTDICHCPSA-N -1 3 305.399 3.502 20 0 DHADHM Nc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1Cl ZINC001212109100 1032099016 /nfs/dbraw/zinc/09/90/16/1032099016.db2.gz WLIYCMLFMWIUQX-UHFFFAOYSA-N -1 3 300.749 3.557 20 0 DHADHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1OC ZINC001595277034 980304642 /nfs/dbraw/zinc/30/46/42/980304642.db2.gz OXLHWVHKKPMQGX-NVXWUHKLSA-N -1 3 317.360 3.701 20 0 DHADHM O=C([O-])CC1(NCc2ccc(Oc3ccccc3)o2)CCC1 ZINC000901704909 980458035 /nfs/dbraw/zinc/45/80/35/980458035.db2.gz NMRIWTJKYJHIIO-UHFFFAOYSA-N -1 3 301.342 3.559 20 0 DHADHM CC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001595316844 980486759 /nfs/dbraw/zinc/48/67/59/980486759.db2.gz IXBCJYSXMVCZPN-ZBEGNZNMSA-N -1 3 302.349 3.721 20 0 DHADHM CC[C@@](NCc1cccnc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874230 980589004 /nfs/dbraw/zinc/58/90/04/980589004.db2.gz XKVUGRZZQLKLPU-KRWDZBQOSA-N -1 3 318.804 3.523 20 0 DHADHM C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912742 980625331 /nfs/dbraw/zinc/62/53/31/980625331.db2.gz RKCJVZDHTDTFMP-ZJUUUORDSA-N -1 3 324.833 3.777 20 0 DHADHM COc1ccc([C@@H](NCc2cc(C)c(C(=O)[O-])o2)C(C)C)cc1 ZINC000902082192 980724367 /nfs/dbraw/zinc/72/43/67/980724367.db2.gz PWEAKKYBOSTZHK-INIZCTEOSA-N -1 3 317.385 3.782 20 0 DHADHM CC(C)OCc1ccccc1CNCc1csc(C(=O)[O-])c1 ZINC000902123123 980745531 /nfs/dbraw/zinc/74/55/31/980745531.db2.gz RVNKQABHEOHEEB-UHFFFAOYSA-N -1 3 319.426 3.661 20 0 DHADHM CCc1nc(CN[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cs1 ZINC000902233351 980793626 /nfs/dbraw/zinc/79/36/26/980793626.db2.gz JLHNCXRRDOWYTF-OLZOCXBDSA-N -1 3 310.463 3.609 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902339697 980838907 /nfs/dbraw/zinc/83/89/07/980838907.db2.gz WHWNNGSQUZUBEY-LOTMQTPTSA-N -1 3 311.381 3.791 20 0 DHADHM C[C@@]1(c2cccc(F)c2)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902349246 980844259 /nfs/dbraw/zinc/84/42/59/980844259.db2.gz MDFZDGJKXVUWGO-QGZVFWFLSA-N -1 3 319.401 3.749 20 0 DHADHM O=C([O-])COc1ccc(CN2CCC[C@H]2c2ccsc2)cc1 ZINC000902509937 980914537 /nfs/dbraw/zinc/91/45/37/980914537.db2.gz MAWWDSVYZVHSCK-INIZCTEOSA-N -1 3 317.410 3.549 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000903897966 981026843 /nfs/dbraw/zinc/02/68/43/981026843.db2.gz LUIPMVMGAWVPBP-UWVGGRQHSA-N -1 3 312.207 3.520 20 0 DHADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000521641227 1014752907 /nfs/dbraw/zinc/75/29/07/1014752907.db2.gz HWFJYNNOALGUGL-SECBINFHSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1CCC(C)C ZINC000521642575 1014754064 /nfs/dbraw/zinc/75/40/64/1014754064.db2.gz QAMJTEJZOBOESP-UHFFFAOYSA-N -1 3 321.808 3.849 20 0 DHADHM CC[C@H](C)[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC001594876392 982213297 /nfs/dbraw/zinc/21/32/97/982213297.db2.gz LLIKSTPUXWGBSR-TVQRCGJNSA-N -1 3 304.217 3.925 20 0 DHADHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451742167 1014877370 /nfs/dbraw/zinc/87/73/70/1014877370.db2.gz AXAFIJFRTYGYEK-CXAGYDPISA-N -1 3 313.372 3.684 20 0 DHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000665331967 1014928173 /nfs/dbraw/zinc/92/81/73/1014928173.db2.gz RJSDBFFSASUULK-WBMJQRKESA-N -1 3 303.402 3.636 20 0 DHADHM CCCc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)s1 ZINC001596064487 983377599 /nfs/dbraw/zinc/37/75/99/983377599.db2.gz ILOSIHRJTIIXPC-KRWDZBQOSA-N -1 3 318.442 3.575 20 0 DHADHM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000656613711 1014944939 /nfs/dbraw/zinc/94/49/39/1014944939.db2.gz PHZOYRDLFHPFGX-LBPRGKRZSA-N -1 3 323.389 3.804 20 0 DHADHM C[C@H](Nc1[n-]c(=O)c(Cl)cc1Cl)c1ccc(F)cn1 ZINC001167471824 1015010293 /nfs/dbraw/zinc/01/02/93/1015010293.db2.gz LSNOBRFAXUEHEZ-LURJTMIESA-N -1 3 302.136 3.801 20 0 DHADHM C/C(=C/CN1CCC(F)(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001588959367 984722981 /nfs/dbraw/zinc/72/29/81/984722981.db2.gz KMIKUPMRUPYVJQ-SDQBBNPISA-N -1 3 311.784 3.632 20 0 DHADHM C/C(=C\c1ccccc1)CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001589003575 984954001 /nfs/dbraw/zinc/95/40/01/984954001.db2.gz DXTLCTLTMJZHRB-XLNAKTSKSA-N -1 3 317.335 3.784 20 0 DHADHM [O-]c1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1F ZINC000895350366 1015085506 /nfs/dbraw/zinc/08/55/06/1015085506.db2.gz RWPOLYIERXINBO-KRWDZBQOSA-N -1 3 301.361 3.903 20 0 DHADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC[C@H](CCF)C1 ZINC000656764301 1015133563 /nfs/dbraw/zinc/13/35/63/1015133563.db2.gz XBVUMQYOSNBSBS-QMTHXVAHSA-N -1 3 317.763 3.676 20 0 DHADHM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2ccccc2[C@@H](C)C1 ZINC001594499539 985667273 /nfs/dbraw/zinc/66/72/73/985667273.db2.gz NVAHEVNQBSTSPK-RYUDHWBXSA-N -1 3 316.426 3.564 20 0 DHADHM CCC(C)(C)c1nnc([N-][C@@H]2c3ccccc3OC[C@@H]2F)o1 ZINC000895555667 1015201525 /nfs/dbraw/zinc/20/15/25/1015201525.db2.gz QDMNNUKWASZSEX-WCQYABFASA-N -1 3 305.353 3.641 20 0 DHADHM CCSc1ccc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001597272312 987320139 /nfs/dbraw/zinc/32/01/39/987320139.db2.gz DEQIXYJYSQYUPT-LBPRGKRZSA-N -1 3 316.426 3.743 20 0 DHADHM CCSc1ccccc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001597279945 987347483 /nfs/dbraw/zinc/34/74/83/987347483.db2.gz ORVNQLVBHRBREY-SFHVURJKSA-N -1 3 315.438 3.888 20 0 DHADHM CC[C@H](C)[C@H](NCc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001597325017 987459749 /nfs/dbraw/zinc/45/97/49/987459749.db2.gz SMCKPLHLPYAYHY-HZMBPMFUSA-N -1 3 322.792 3.584 20 0 DHADHM CSc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599824321 988570148 /nfs/dbraw/zinc/57/01/48/988570148.db2.gz XRUITFDIRHYQOF-KRWDZBQOSA-N -1 3 315.438 3.941 20 0 DHADHM CCc1oc(CN2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC001597797110 989360361 /nfs/dbraw/zinc/36/03/61/989360361.db2.gz VIQSMHHSQPNBCR-UHFFFAOYSA-N -1 3 313.397 3.920 20 0 DHADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc([O-])c1F ZINC000535658932 1015702978 /nfs/dbraw/zinc/70/29/78/1015702978.db2.gz QAXRRKXFKJRISD-UHFFFAOYSA-N -1 3 308.378 3.846 20 0 DHADHM CN(Cc1csc(C(=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598535896 992839367 /nfs/dbraw/zinc/83/93/67/992839367.db2.gz FAXIUNFLJJWORG-MNOVXSKESA-N -1 3 321.364 3.999 20 0 DHADHM CN(Cc1ncc(C(=O)[O-])s1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598538348 992868012 /nfs/dbraw/zinc/86/80/12/992868012.db2.gz QEYGVORKPDTSDK-UONOGXRCSA-N -1 3 316.426 3.609 20 0 DHADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)[N-]OCc1ccccn1 ZINC000909544860 1015803210 /nfs/dbraw/zinc/80/32/10/1015803210.db2.gz RZKLLWYABWJLLS-UHFFFAOYSA-N -1 3 318.804 3.552 20 0 DHADHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1ccnc(Cl)c1 ZINC001593203024 994185023 /nfs/dbraw/zinc/18/50/23/994185023.db2.gz CAWSHDHUZKOZRT-SWLSCSKDSA-N -1 3 318.804 3.992 20 0 DHADHM C[C@@H](N[C@H](c1cccs1)C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593210823 994255620 /nfs/dbraw/zinc/25/56/20/994255620.db2.gz SATXILYYULFQKE-BMIGLBTASA-N -1 3 302.399 3.643 20 0 DHADHM C[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252229 994505175 /nfs/dbraw/zinc/50/51/75/994505175.db2.gz QWYROQARVDENBF-GXTWGEPZSA-N -1 3 307.390 3.510 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc2ncsc2c1 ZINC001593296510 994697022 /nfs/dbraw/zinc/69/70/22/994697022.db2.gz NAQLPNJHQXXJNF-SECBINFHSA-N -1 3 318.423 3.907 20 0 DHADHM C[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593360638 995025528 /nfs/dbraw/zinc/02/55/28/995025528.db2.gz WTUWJJLTQNKJRZ-IRUJWGPZSA-N -1 3 320.389 3.577 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(F)(c2ccccc2)CC1 ZINC001593685990 996120407 /nfs/dbraw/zinc/12/04/07/996120407.db2.gz LANWUNJCRVBIKQ-ZDUSSCGKSA-N -1 3 317.360 4.000 20 0 DHADHM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc2ccccc21 ZINC001599388689 996992548 /nfs/dbraw/zinc/99/25/48/996992548.db2.gz FBAULTVMAUESRQ-GFCCVEGCSA-N -1 3 324.380 3.726 20 0 DHADHM COc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599392805 997069852 /nfs/dbraw/zinc/06/98/52/997069852.db2.gz TVBRDKHAGNZQDU-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN[C@@H](c1cccs1)C1CC1 ZINC001599501702 997134930 /nfs/dbraw/zinc/13/49/30/997134930.db2.gz VELBQAMEIQKSMC-MRXNPFEDSA-N -1 3 317.410 3.696 20 0 DHADHM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])sc2C)cc1F ZINC001599509821 997276968 /nfs/dbraw/zinc/27/69/68/997276968.db2.gz PWWNFTWFICJKNH-VIFPVBQESA-N -1 3 323.389 3.753 20 0 DHADHM CCc1c(NCc2cc([O-])cc(F)c2)cnn1-c1ccccc1 ZINC000342283273 1016228195 /nfs/dbraw/zinc/22/81/95/1016228195.db2.gz QFHKPOQSWAHCFA-UHFFFAOYSA-N -1 3 311.360 3.892 20 0 DHADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594213734 998824272 /nfs/dbraw/zinc/82/42/72/998824272.db2.gz FYCMBDYCDSMQSA-PSASIEDQSA-N -1 3 307.337 3.609 20 0 DHADHM CC(C)(CNCc1csc(-c2ccc(F)cc2)n1)CC(=O)[O-] ZINC000277390303 1016270053 /nfs/dbraw/zinc/27/00/53/1016270053.db2.gz RJBQUUZXBFIAKW-UHFFFAOYSA-N -1 3 322.405 3.540 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC001594426708 999594837 /nfs/dbraw/zinc/59/48/37/999594837.db2.gz NDHUAFAHLXATGZ-DJIMGWMZSA-N -1 3 317.429 3.551 20 0 DHADHM CCC[C@@H](C)CCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269156 1016341491 /nfs/dbraw/zinc/34/14/91/1016341491.db2.gz DUMDCWHTGGMDCL-KGLIPLIRSA-N -1 3 307.438 3.544 20 0 DHADHM CC1(C)CC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622477895 1016422717 /nfs/dbraw/zinc/42/27/17/1016422717.db2.gz OORBAONOCJNNED-NSHDSACASA-N -1 3 301.308 3.720 20 0 DHADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622506668 1016440444 /nfs/dbraw/zinc/44/04/44/1016440444.db2.gz QVPGRGLDHZCRKQ-LLVKDONJSA-N -1 3 315.335 3.919 20 0 DHADHM CCCc1nc(C)c(NC(=O)c2cccc(CC)c2[O-])s1 ZINC000622523399 1016448019 /nfs/dbraw/zinc/44/80/19/1016448019.db2.gz HRWNGRUUKBNITB-UHFFFAOYSA-N -1 3 304.415 3.924 20 0 DHADHM O=C(NCc1cc(C2CC2)ccc1F)c1cc([O-])ccc1Cl ZINC000622628625 1016493520 /nfs/dbraw/zinc/49/35/20/1016493520.db2.gz CZORYPLKIKEXQB-UHFFFAOYSA-N -1 3 319.763 3.992 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1(C)C ZINC000622617040 1016499705 /nfs/dbraw/zinc/49/97/05/1016499705.db2.gz UCSXYYHUTVPKMP-ZDUSSCGKSA-N -1 3 315.335 3.918 20 0 DHADHM Cc1oc(CN2CCC[C@@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000563282131 1016499522 /nfs/dbraw/zinc/49/95/22/1016499522.db2.gz FPDBXCRTYMKOHE-ZNFPLGDCSA-N -1 3 311.381 3.964 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1 ZINC000615391214 1016550264 /nfs/dbraw/zinc/55/02/64/1016550264.db2.gz VHQUXGPFEKRIEG-KBPBESRZSA-N -1 3 305.443 3.765 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000622744471 1016554696 /nfs/dbraw/zinc/55/46/96/1016554696.db2.gz XGTCQWMWVYBVQC-NSHDSACASA-N -1 3 311.372 3.898 20 0 DHADHM CCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000172519815 1016685974 /nfs/dbraw/zinc/68/59/74/1016685974.db2.gz HYPFVPOQHNZGQP-MRXNPFEDSA-N -1 3 316.376 3.872 20 0 DHADHM CC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000277625971 1016794470 /nfs/dbraw/zinc/79/44/70/1016794470.db2.gz IYJYXLPONSVVDX-CQSZACIVSA-N -1 3 310.806 3.557 20 0 DHADHM CC(C)(C)c1csc(CNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000277751664 1017057666 /nfs/dbraw/zinc/05/76/66/1017057666.db2.gz RPNVAVSZFSIEGD-UHFFFAOYSA-N -1 3 324.833 3.730 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2C)C2CC2)cc1[O-] ZINC001146410671 1032219028 /nfs/dbraw/zinc/21/90/28/1032219028.db2.gz NIKANJGJCWQJCK-LJQANCHMSA-N -1 3 323.392 3.784 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3cc(O)ccc32)c1[O-] ZINC001148201709 1032374801 /nfs/dbraw/zinc/37/48/01/1032374801.db2.gz FGQVIDRNUDBLMP-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Cl)cc3ncoc32)c([O-])c1 ZINC001148505982 1032409863 /nfs/dbraw/zinc/40/98/63/1032409863.db2.gz OGALPBUZSPZLAY-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000476579994 1032451054 /nfs/dbraw/zinc/45/10/54/1032451054.db2.gz WHMMCPXFQADQOP-MGPQQGTHSA-N -1 3 307.409 3.747 20 0 DHADHM Cc1c([O-])ccc2c(CSc3cccc(O)c3)cc(=O)oc12 ZINC000185676490 1017101705 /nfs/dbraw/zinc/10/17/05/1017101705.db2.gz AFRNXAQRQWGQBY-UHFFFAOYSA-N -1 3 314.362 3.805 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC001171407026 1032597858 /nfs/dbraw/zinc/59/78/58/1032597858.db2.gz JECFDZPMELULGE-INIZCTEOSA-N -1 3 311.429 3.718 20 0 DHADHM CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000424730779 1012118846 /nfs/dbraw/zinc/11/88/46/1012118846.db2.gz CZJRISRLRCJSAR-HNNXBMFYSA-N -1 3 315.388 3.725 20 0 DHADHM CCc1cccc(C(=O)N(CC)[C@@H](CC)c2ccncc2)c1[O-] ZINC000537656408 1032610834 /nfs/dbraw/zinc/61/08/34/1032610834.db2.gz GXXFYNCXYOQZGS-KRWDZBQOSA-N -1 3 312.413 3.963 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1[O-] ZINC000537663898 1032615268 /nfs/dbraw/zinc/61/52/68/1032615268.db2.gz TWMJIQAMDWVGNU-CQSZACIVSA-N -1 3 316.426 3.601 20 0 DHADHM CC(C)c1ccc(N(C)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000092605405 1012361952 /nfs/dbraw/zinc/36/19/52/1012361952.db2.gz BAVBDUQLBIBSEZ-UHFFFAOYSA-N -1 3 313.353 3.521 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c([O-])c1C ZINC000436624382 1012756918 /nfs/dbraw/zinc/75/69/18/1012756918.db2.gz LFBFFIWDZFUBFB-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM COc1c(C)cc(C(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000516689173 1012817532 /nfs/dbraw/zinc/81/75/32/1012817532.db2.gz QPQYMJQSGBOACD-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1 ZINC000079060093 1012868811 /nfs/dbraw/zinc/86/88/11/1012868811.db2.gz DDTVSJPZYGKVTG-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000232779693 1012948053 /nfs/dbraw/zinc/94/80/53/1012948053.db2.gz SMLHHHGYDSRIBS-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000007055774 1013035679 /nfs/dbraw/zinc/03/56/79/1013035679.db2.gz JEHOUBYLCPVLSA-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc([O-])c1F ZINC000179151760 1017217961 /nfs/dbraw/zinc/21/79/61/1017217961.db2.gz VXUQNDSXLMKITP-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@H]1C(F)F ZINC000337612014 1017327616 /nfs/dbraw/zinc/32/76/16/1017327616.db2.gz ZCVXUNRDZSQJIJ-AWEZNQCLSA-N -1 3 305.324 3.805 20 0 DHADHM O=c1[n-]c([C@@H](F)c2ccc(C(F)(F)F)cc2)nc2cccnc21 ZINC000337766161 1017424631 /nfs/dbraw/zinc/42/46/31/1017424631.db2.gz SQXFRRLPGSWGKS-NSHDSACASA-N -1 3 323.249 3.808 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000665839040 1017495973 /nfs/dbraw/zinc/49/59/73/1017495973.db2.gz YAKPIQPQLCIFRI-VIFPVBQESA-N -1 3 319.348 3.529 20 0 DHADHM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000339008078 1032704568 /nfs/dbraw/zinc/70/45/68/1032704568.db2.gz KUROAQMLCMFJMC-QMMMGPOBSA-N -1 3 308.765 3.783 20 0 DHADHM COc1cccc2cc(C(=O)[N-]c3nc(C(C)C)ns3)oc21 ZINC000874697394 1032709921 /nfs/dbraw/zinc/70/99/21/1032709921.db2.gz NDZDMQMHPWXJTC-UHFFFAOYSA-N -1 3 317.370 3.669 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2c(Cl)cncc2Cl)n1 ZINC000874693425 1032708445 /nfs/dbraw/zinc/70/84/45/1032708445.db2.gz BNOKJUVEOBVWII-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM C[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000342944250 1017865540 /nfs/dbraw/zinc/86/55/40/1017865540.db2.gz NLCYXNXGGQKZQS-JTQLQIEISA-N -1 3 324.302 3.938 20 0 DHADHM Cc1cccc(C2(C(=O)NCc3ccc([O-])c(F)c3)CCC2)c1 ZINC000674136442 1017867576 /nfs/dbraw/zinc/86/75/76/1017867576.db2.gz NXPYIINTPHRMBI-UHFFFAOYSA-N -1 3 313.372 3.578 20 0 DHADHM COC(=O)Cc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001212620664 1032737022 /nfs/dbraw/zinc/73/70/22/1032737022.db2.gz BOEYUIRCKAANAI-UHFFFAOYSA-N -1 3 305.761 3.813 20 0 DHADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000172518467 1018063097 /nfs/dbraw/zinc/06/30/97/1018063097.db2.gz AFVAXUHOXNGTRN-MRXNPFEDSA-N -1 3 316.376 3.790 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2cc(C)cc(C)c2o1 ZINC000674749411 1018128387 /nfs/dbraw/zinc/12/83/87/1018128387.db2.gz DUJLGOVDTSXRIF-UHFFFAOYSA-N -1 3 321.283 3.931 20 0 DHADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1cn(C)c2ccccc12 ZINC000185783418 1018130189 /nfs/dbraw/zinc/13/01/89/1018130189.db2.gz ANIRAMZCHXQUTN-NSHDSACASA-N -1 3 312.344 3.765 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1F ZINC000675091869 1018245188 /nfs/dbraw/zinc/24/51/88/1018245188.db2.gz CIQUPSDGBDBXOC-UHFFFAOYSA-N -1 3 311.357 3.675 20 0 DHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000041231764 1018377009 /nfs/dbraw/zinc/37/70/09/1018377009.db2.gz ANRXOXRSJKKWOX-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000263730677 1032763822 /nfs/dbraw/zinc/76/38/22/1032763822.db2.gz ZZNCKUOWTGHGIU-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM [O-]c1ccc(-c2nc(-c3ccc4nccc(Cl)c4c3)no2)nc1 ZINC001212558097 1018462163 /nfs/dbraw/zinc/46/21/63/1018462163.db2.gz RLWPRNAMNBJRGA-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c(C(F)(F)F)c1 ZINC001212559175 1018467276 /nfs/dbraw/zinc/46/72/76/1018467276.db2.gz ZABLFNKBWFRWCA-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CC(C)CCOc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527107631 1018515085 /nfs/dbraw/zinc/51/50/85/1018515085.db2.gz OQLWKBHNSQDCQB-UHFFFAOYSA-N -1 3 324.384 3.635 20 0 DHADHM [O-]c1cccnc1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000527241001 1018536759 /nfs/dbraw/zinc/53/67/59/1018536759.db2.gz UDHBNNKDIYRDFA-UHFFFAOYSA-N -1 3 314.772 3.990 20 0 DHADHM COc1cc(C(=O)[N-]c2nc(C3CCCCC3)c(C)s2)on1 ZINC001129051967 1018575478 /nfs/dbraw/zinc/57/54/78/1018575478.db2.gz WZLZIXDPWJYEHF-UHFFFAOYSA-N -1 3 321.402 3.748 20 0 DHADHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000189031399 1018577489 /nfs/dbraw/zinc/57/74/89/1018577489.db2.gz MOGGZDUMCLNUOK-CQSZACIVSA-N -1 3 317.772 3.729 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cc(F)ccc3C)no2)c1 ZINC000315494404 1032785125 /nfs/dbraw/zinc/78/51/25/1032785125.db2.gz CTEOVMMCQYOAOH-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CC(C)c1ccccc1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151328260 1018816051 /nfs/dbraw/zinc/81/60/51/1018816051.db2.gz GYCHKNVXAVPJOQ-UHFFFAOYSA-N -1 3 302.349 3.976 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)c1 ZINC000007053152 1019001340 /nfs/dbraw/zinc/00/13/40/1019001340.db2.gz VEAJUXRGHSWDAS-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM CC(C)N(Cc1cccnc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471795984 1019033085 /nfs/dbraw/zinc/03/30/85/1019033085.db2.gz BOTGJEVMTUDVDB-UHFFFAOYSA-N -1 3 320.392 3.991 20 0 DHADHM CCCCOc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1F ZINC001211615497 1019160937 /nfs/dbraw/zinc/16/09/37/1019160937.db2.gz SEZKGFSJRPZENA-UHFFFAOYSA-N -1 3 318.348 3.553 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000029800747 1019190097 /nfs/dbraw/zinc/19/00/97/1019190097.db2.gz NLUAPSQQJVTHQK-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2nc(C(C)(C)C)cs2)n1 ZINC000477363121 1032821852 /nfs/dbraw/zinc/82/18/52/1032821852.db2.gz QSQVKBUIFNFJJG-UHFFFAOYSA-N -1 3 323.487 3.932 20 0 DHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041845333 1019278109 /nfs/dbraw/zinc/27/81/09/1019278109.db2.gz YHSVFYANECBTLJ-GFCCVEGCSA-N -1 3 324.355 3.500 20 0 DHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041845330 1019278414 /nfs/dbraw/zinc/27/84/14/1019278414.db2.gz YHSVFYANECBTLJ-LBPRGKRZSA-N -1 3 324.355 3.500 20 0 DHADHM CCc1cc(=O)[n-]c(CS[C@@H]2CCc3ccc(F)cc32)n1 ZINC000477360062 1032819827 /nfs/dbraw/zinc/81/98/27/1032819827.db2.gz FLYYPOWDDXSFLU-CQSZACIVSA-N -1 3 304.390 3.804 20 0 DHADHM O=c1nc(-c2ccc(Cl)cn2)[n-]c2sc3ccccc3c21 ZINC000086963736 1019309466 /nfs/dbraw/zinc/30/94/66/1019309466.db2.gz ABDSBZJXMIAMIW-UHFFFAOYSA-N -1 3 313.769 3.853 20 0 DHADHM CCOC(=O)c1cc(C)sc1Nc1cc(F)cc(F)c1[O-] ZINC001212477373 1019393465 /nfs/dbraw/zinc/39/34/65/1019393465.db2.gz BOUGWIZRRZDXKQ-UHFFFAOYSA-N -1 3 313.325 3.961 20 0 DHADHM Nc1c(F)c(F)c(Nc2cc(F)cc(F)c2[O-])c(F)c1F ZINC001212487505 1019472597 /nfs/dbraw/zinc/47/25/97/1019472597.db2.gz NWIXAQTUEADEAQ-UHFFFAOYSA-N -1 3 308.181 3.553 20 0 DHADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OCc1ccccc1 ZINC000010318638 1019602929 /nfs/dbraw/zinc/60/29/29/1019602929.db2.gz VFNNUBHUKZRLTJ-UHFFFAOYSA-N -1 3 320.392 3.642 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC000875500023 1032847445 /nfs/dbraw/zinc/84/74/45/1032847445.db2.gz AEFWMXUZSZTMRB-UHFFFAOYSA-N -1 3 302.252 3.718 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000279419544 1019659373 /nfs/dbraw/zinc/65/93/73/1019659373.db2.gz CNNZKUQCQDXMEH-INIZCTEOSA-N -1 3 321.380 3.636 20 0 DHADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccco1 ZINC000198199241 1019704569 /nfs/dbraw/zinc/70/45/69/1019704569.db2.gz AICALSJHLMJSLP-UHFFFAOYSA-N -1 3 323.424 3.737 20 0 DHADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280469012 1019723312 /nfs/dbraw/zinc/72/33/12/1019723312.db2.gz TWTGUAIXLULTNY-NSHDSACASA-N -1 3 324.380 3.511 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(CSC)cc2)c1[O-] ZINC000171319862 1019735735 /nfs/dbraw/zinc/73/57/35/1019735735.db2.gz GYPQNNBRZVCIDL-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526927620 1019739966 /nfs/dbraw/zinc/73/99/66/1019739966.db2.gz GJUQSFADOBASHX-LPHOPBHVSA-N -1 3 317.388 3.906 20 0 DHADHM Cc1cc(F)ccc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527458044 1019751858 /nfs/dbraw/zinc/75/18/58/1019751858.db2.gz PZEFURGUUYCKAK-UHFFFAOYSA-N -1 3 323.367 3.965 20 0 DHADHM Cc1cc2n[nH]cc2cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527474662 1019753226 /nfs/dbraw/zinc/75/32/26/1019753226.db2.gz DLQUACSUKBAJLH-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)n1 ZINC000727670156 1019755515 /nfs/dbraw/zinc/75/55/15/1019755515.db2.gz GDASEWYOKQEBGR-VIFPVBQESA-N -1 3 314.332 3.560 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000477500726 1032856547 /nfs/dbraw/zinc/85/65/47/1032856547.db2.gz GOTOZQSGKRETKS-UHFFFAOYSA-N -1 3 324.833 3.515 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000730519729 1020001501 /nfs/dbraw/zinc/00/15/01/1020001501.db2.gz WSSROXCMJKQOOE-HNNXBMFYSA-N -1 3 313.397 3.512 20 0 DHADHM O=c1cc(CSc2c(Cl)cccc2Cl)occ1[O-] ZINC000072966898 1020093129 /nfs/dbraw/zinc/09/31/29/1020093129.db2.gz QMGBXSIDEVSCIM-UHFFFAOYSA-N -1 3 303.166 3.945 20 0 DHADHM CCc1cccc(C(=O)N2CCCc3sccc3C2)c1[O-] ZINC000081779978 1020106050 /nfs/dbraw/zinc/10/60/50/1020106050.db2.gz PRNXKUZSXPAGPR-UHFFFAOYSA-N -1 3 301.411 3.605 20 0 DHADHM CC[C@H](C)Sc1ccc(NC(=O)c2cc(=O)[n-]cn2)c(C)c1 ZINC000624953878 1020213238 /nfs/dbraw/zinc/21/32/38/1020213238.db2.gz WUVWZSZHXHCEQC-NSHDSACASA-N -1 3 317.414 3.634 20 0 DHADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000732393138 1020235285 /nfs/dbraw/zinc/23/52/85/1020235285.db2.gz MGYRAEUEDXRCOI-SECBINFHSA-N -1 3 311.259 3.724 20 0 DHADHM O=C(/C=C/c1ccc(Cl)nc1)Nc1cc(Cl)ccc1[O-] ZINC000179464564 1020354500 /nfs/dbraw/zinc/35/45/00/1020354500.db2.gz OVPSIOUOHUSECL-QHHAFSJGSA-N -1 3 309.152 3.746 20 0 DHADHM [O-]c1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1Cl ZINC000733324401 1020371221 /nfs/dbraw/zinc/37/12/21/1020371221.db2.gz WDRXDPFAPOJZBW-UHFFFAOYSA-N -1 3 322.195 3.637 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)C(C)C)nc(=O)c2c1C ZINC000733580997 1020411691 /nfs/dbraw/zinc/41/16/91/1020411691.db2.gz XPFSXPQIVQQFIK-WPRPVWTQSA-N -1 3 322.430 3.910 20 0 DHADHM Cc1cccc([O-])c1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000623703666 1020447285 /nfs/dbraw/zinc/44/72/85/1020447285.db2.gz WZGWUNPWYJCNSN-UHFFFAOYSA-N -1 3 301.308 3.552 20 0 DHADHM Cc1ncoc1C(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000673814806 1020503811 /nfs/dbraw/zinc/50/38/11/1020503811.db2.gz OBZYWLOQUIZJFR-UHFFFAOYSA-N -1 3 316.304 3.890 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccccc1F ZINC000733894522 1020515854 /nfs/dbraw/zinc/51/58/54/1020515854.db2.gz GHIZHEWTLLBOFC-UHFFFAOYSA-N -1 3 309.340 3.769 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c(C)cccc1[O-])CCC2 ZINC000625487492 1020547683 /nfs/dbraw/zinc/54/76/83/1020547683.db2.gz XGQYZFKABXLBRV-ZDUSSCGKSA-N -1 3 316.426 3.615 20 0 DHADHM CC(C)Cn1ccnc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000353778635 1020552997 /nfs/dbraw/zinc/55/29/97/1020552997.db2.gz GKWPJMVQELSCIY-UHFFFAOYSA-N -1 3 309.369 3.650 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccccc2s1 ZINC000132935858 1020585326 /nfs/dbraw/zinc/58/53/26/1020585326.db2.gz BNKGKCAUPNHWIC-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM C[C@@H](c1ccccc1F)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163777360 1020618225 /nfs/dbraw/zinc/61/82/25/1020618225.db2.gz CTSAOKRXDCJGHU-NSHDSACASA-N -1 3 320.339 3.573 20 0 DHADHM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000612633714 1020652690 /nfs/dbraw/zinc/65/26/90/1020652690.db2.gz ZGMBFQDUEFPEOI-JKSUJKDBSA-N -1 3 313.372 3.568 20 0 DHADHM CSc1ccsc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000264400082 1032921981 /nfs/dbraw/zinc/92/19/81/1032921981.db2.gz SIAMSWATHRKPPQ-UHFFFAOYSA-N -1 3 313.473 3.871 20 0 DHADHM O=C(NC(C1CCCC1)C1CCCC1)c1ccc(O)cc1[O-] ZINC000735446944 1020732033 /nfs/dbraw/zinc/73/20/33/1020732033.db2.gz ITESEKUOCQZCKO-UHFFFAOYSA-N -1 3 303.402 3.577 20 0 DHADHM O=C([N-]OCc1ccccc1)Nc1nc2ccsc2s1 ZINC000735576242 1020747818 /nfs/dbraw/zinc/74/78/18/1020747818.db2.gz FDKKZXWCEZGHIL-UHFFFAOYSA-N -1 3 305.384 3.611 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000613400367 1020935794 /nfs/dbraw/zinc/93/57/94/1020935794.db2.gz ZXWORHICNIQXCU-LNSITVRQSA-N -1 3 305.443 3.765 20 0 DHADHM [O-]c1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1F ZINC000737460677 1021094379 /nfs/dbraw/zinc/09/43/79/1021094379.db2.gz BVTZBPXHMNQQOR-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CCCCN1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140834623 1021111936 /nfs/dbraw/zinc/11/19/36/1021111936.db2.gz SBJPRCVAQZJJBM-UHFFFAOYSA-N -1 3 317.260 3.617 20 0 DHADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCCC(F)(F)F ZINC000162884293 1021144829 /nfs/dbraw/zinc/14/48/29/1021144829.db2.gz ZLDBLJDGTMEZOG-UHFFFAOYSA-N -1 3 321.261 3.745 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1[O-] ZINC001202247807 1021195084 /nfs/dbraw/zinc/19/50/84/1021195084.db2.gz KWLRNVFUGRMONB-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1 ZINC000743048150 1021210603 /nfs/dbraw/zinc/21/06/03/1021210603.db2.gz XPIPBZPDLVZXQJ-UHFFFAOYSA-N -1 3 318.442 3.677 20 0 DHADHM CCc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc([O-])cc2)cc1 ZINC000041708285 1021273043 /nfs/dbraw/zinc/27/30/43/1021273043.db2.gz YZLHKNHLHDQQFL-QCUKBLKESA-N -1 3 320.392 3.739 20 0 DHADHM FC(F)OC1CCC(N=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000649524061 1021342469 /nfs/dbraw/zinc/34/24/69/1021342469.db2.gz ZHOMPBHWMONCDO-UHFFFAOYSA-N -1 3 316.295 3.546 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 ZINC000917784916 1021362075 /nfs/dbraw/zinc/36/20/75/1021362075.db2.gz RIYMBOZYICXHHP-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000337409885 1032974020 /nfs/dbraw/zinc/97/40/20/1032974020.db2.gz VMFKZPKQGJCUGX-GHMZBOCLSA-N -1 3 323.179 3.836 20 0 DHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000618396502 1021374420 /nfs/dbraw/zinc/37/44/20/1021374420.db2.gz RZVBRQDGTIXCSF-HNNXBMFYSA-N -1 3 315.344 3.517 20 0 DHADHM [O-]C(=Cc1nc(-c2ccccc2F)no1)c1ccccc1Cl ZINC001211645381 1021430352 /nfs/dbraw/zinc/43/03/52/1021430352.db2.gz UFBJYBBMHBJPRR-UHFFFAOYSA-N -1 3 316.719 3.955 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(C)c1 ZINC000170708142 1021494507 /nfs/dbraw/zinc/49/45/07/1021494507.db2.gz VLIYQRSIKLCZNX-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM Cc1cccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)n1 ZINC001211647544 1021505642 /nfs/dbraw/zinc/50/56/42/1021505642.db2.gz VAHMKZXTRRZJJX-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM CCCC[C@@H](CC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782986827 1021524801 /nfs/dbraw/zinc/52/48/01/1021524801.db2.gz PJHUWPJTCDLFFS-GFCCVEGCSA-N -1 3 318.373 3.702 20 0 DHADHM CCN(Cc1nc(C(C)(C)C)cs1)C1CCC(C(=O)[O-])CC1 ZINC000659792203 1021528449 /nfs/dbraw/zinc/52/84/49/1021528449.db2.gz RWLFSNDQGGNRDC-UHFFFAOYSA-N -1 3 324.490 3.906 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@@H](Oc3ccccc3)C2)oc1C(=O)[O-] ZINC000659801544 1021538482 /nfs/dbraw/zinc/53/84/82/1021538482.db2.gz GKLOAPMDRYHWLG-UKRRQHHQSA-N -1 3 315.369 3.501 20 0 DHADHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)cc1 ZINC000744475605 1021556642 /nfs/dbraw/zinc/55/66/42/1021556642.db2.gz PYOCWSZNRQPYKY-ZDUSSCGKSA-N -1 3 312.365 3.944 20 0 DHADHM CC(C)C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC(C)C ZINC000236646335 1021640135 /nfs/dbraw/zinc/64/01/35/1021640135.db2.gz XGMLNWPOFGGWBV-AWEZNQCLSA-N -1 3 313.825 3.502 20 0 DHADHM COc1ccc2ccc(C(=O)Nc3cccc([O-])c3F)cc2c1 ZINC000556693010 1021818285 /nfs/dbraw/zinc/81/82/85/1021818285.db2.gz WIUIXDVYIDZJSF-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(C(C)C)cs1 ZINC000746152661 1021872745 /nfs/dbraw/zinc/87/27/45/1021872745.db2.gz POMNDLQNLMTOOO-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM CCOc1cnc(C(=O)[N-]c2cc(Cl)ccc2SC)cn1 ZINC000187135812 1021952199 /nfs/dbraw/zinc/95/21/99/1021952199.db2.gz CTMUWLISPILXEN-UHFFFAOYSA-N -1 3 323.805 3.503 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1snnc1C1CC1 ZINC000415883209 1021994884 /nfs/dbraw/zinc/99/48/84/1021994884.db2.gz MZVDCLHKUXBMBJ-UHFFFAOYSA-N -1 3 305.428 3.698 20 0 DHADHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000620048086 1022027075 /nfs/dbraw/zinc/02/70/75/1022027075.db2.gz VGEASKKPEYLKHC-VHSXEESVSA-N -1 3 307.868 3.506 20 0 DHADHM Cc1cc(COC(=O)c2cc(-c3ccco3)[n-]n2)c(C)s1 ZINC000920519366 1022137074 /nfs/dbraw/zinc/13/70/74/1022137074.db2.gz RCNQKNCWZIBGIZ-UHFFFAOYSA-N -1 3 302.355 3.705 20 0 DHADHM Cc1cc(COC(=O)c2cc(-c3ccco3)n[n-]2)c(C)s1 ZINC000920519366 1022137083 /nfs/dbraw/zinc/13/70/83/1022137083.db2.gz RCNQKNCWZIBGIZ-UHFFFAOYSA-N -1 3 302.355 3.705 20 0 DHADHM Cc1ccc(C(C)(C)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001168803772 1022139103 /nfs/dbraw/zinc/13/91/03/1022139103.db2.gz LMRMSRMNLYRLLH-UHFFFAOYSA-N -1 3 311.364 3.661 20 0 DHADHM Cc1ccc(C(C)(C)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001168803772 1022139109 /nfs/dbraw/zinc/13/91/09/1022139109.db2.gz LMRMSRMNLYRLLH-UHFFFAOYSA-N -1 3 311.364 3.661 20 0 DHADHM O=C([O-])[C@@H](NCc1ccsc1C(F)(F)F)c1cccs1 ZINC000901599622 1022154525 /nfs/dbraw/zinc/15/45/25/1022154525.db2.gz YCVMJPQGSLKZGY-VIFPVBQESA-N -1 3 321.345 3.744 20 0 DHADHM O=C([N-]Cc1cccc(Cl)c1)C(F)(F)c1ccc(F)cc1 ZINC000920841685 1022182245 /nfs/dbraw/zinc/18/22/45/1022182245.db2.gz WLUUPTCHCSIWGC-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM CCCCCC[C@](C)(CC)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893216495 1022264366 /nfs/dbraw/zinc/26/43/66/1022264366.db2.gz SYSDWRNAUMIWDA-SFHVURJKSA-N -1 3 319.449 3.848 20 0 DHADHM Nc1cccc(-c2cccc(Nc3ccc(Cl)c([O-])c3)n2)n1 ZINC001212588184 1022353585 /nfs/dbraw/zinc/35/35/85/1022353585.db2.gz JANQBZDKMRGLAZ-UHFFFAOYSA-N -1 3 312.760 3.828 20 0 DHADHM Nc1cc(C(F)(F)F)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589649 1022370967 /nfs/dbraw/zinc/37/09/67/1022370967.db2.gz XHDHUGMELNRRAQ-UHFFFAOYSA-N -1 3 303.671 3.785 20 0 DHADHM O=C([O-])c1ccccc1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000363881805 1022377308 /nfs/dbraw/zinc/37/73/08/1022377308.db2.gz DDBHVBMWPYUVKM-UHFFFAOYSA-N -1 3 313.372 3.904 20 0 DHADHM CC(C)c1cnn2cc(Nc3ccc(Cl)c([O-])c3)cnc12 ZINC001212590348 1022417189 /nfs/dbraw/zinc/41/71/89/1022417189.db2.gz IEGBGTHCLXGMLD-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM CCOC(=O)c1sc(C)nc1Nc1ccc(Cl)c([O-])c1 ZINC001212591375 1022452591 /nfs/dbraw/zinc/45/25/91/1022452591.db2.gz IZGDMQJSWKIANH-UHFFFAOYSA-N -1 3 312.778 3.731 20 0 DHADHM CC(C)(C)c1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)cc1 ZINC000766767150 1022474219 /nfs/dbraw/zinc/47/42/19/1022474219.db2.gz ZOJLLEHJCZNSBW-TWGQIWQCSA-N -1 3 301.308 3.607 20 0 DHADHM CC(C)(C)c1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)cc1 ZINC000766767149 1022474331 /nfs/dbraw/zinc/47/43/31/1022474331.db2.gz ZOJLLEHJCZNSBW-RMKNXTFCSA-N -1 3 301.308 3.607 20 0 DHADHM CCN(CCO)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593415 1022487670 /nfs/dbraw/zinc/48/76/70/1022487670.db2.gz PSBMVKXKGQZDTL-UHFFFAOYSA-N -1 3 306.793 3.608 20 0 DHADHM CC(C)COC(=O)Nc1ccc(NCc2ncccc2[O-])cc1 ZINC001169730860 1022525519 /nfs/dbraw/zinc/52/55/19/1022525519.db2.gz KFLBQIUHZOHTMM-UHFFFAOYSA-N -1 3 315.373 3.604 20 0 DHADHM [O-]c1cccnc1CNc1ccc2c(c1)ncn2-c1ccccc1 ZINC001169732123 1022526291 /nfs/dbraw/zinc/52/62/91/1022526291.db2.gz HBXDNNJWLGLWHA-UHFFFAOYSA-N -1 3 316.364 3.738 20 0 DHADHM COCCNc1cccc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212595419 1022550007 /nfs/dbraw/zinc/55/00/07/1022550007.db2.gz SLQBXHPVLYXPPC-UHFFFAOYSA-N -1 3 310.756 3.987 20 0 DHADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cc(=O)[n-]cn1 ZINC000859074367 1033062281 /nfs/dbraw/zinc/06/22/81/1033062281.db2.gz FYYDZIZRXVPPLR-UHFFFAOYSA-N -1 3 317.414 3.634 20 0 DHADHM CSCC1(CCNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000855397927 1022629083 /nfs/dbraw/zinc/62/90/83/1022629083.db2.gz NSKNGICAZYGXOK-UHFFFAOYSA-N -1 3 321.467 3.870 20 0 DHADHM CC(C)Cc1nsc([N-]C(=O)c2cc(Cl)cs2)n1 ZINC000855706711 1022681991 /nfs/dbraw/zinc/68/19/91/1022681991.db2.gz SHIVISBDNHJPGI-UHFFFAOYSA-N -1 3 301.824 3.704 20 0 DHADHM CO[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000856153988 1022759322 /nfs/dbraw/zinc/75/93/22/1022759322.db2.gz FOWRVLFFQIERPC-HNNXBMFYSA-N -1 3 319.426 3.542 20 0 DHADHM O=C(CCc1nc2cc(Cl)ccc2s1)[N-]OCC1CCC1 ZINC000856347424 1022799349 /nfs/dbraw/zinc/79/93/49/1022799349.db2.gz RHCGSCGMMIPNAP-UHFFFAOYSA-N -1 3 324.833 3.730 20 0 DHADHM COCC1(NC(=O)c2cc3sccc3c([O-])c2)CCCCC1 ZINC000856455409 1022815638 /nfs/dbraw/zinc/81/56/38/1022815638.db2.gz VWXUOXXLLQZCNQ-UHFFFAOYSA-N -1 3 319.426 3.686 20 0 DHADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621881466 1022919019 /nfs/dbraw/zinc/91/90/19/1022919019.db2.gz MSKDZZNYQSWNGM-VHSXEESVSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621893660 1022921185 /nfs/dbraw/zinc/92/11/85/1022921185.db2.gz QQNGJUFJKZJUBI-NXEZZACHSA-N -1 3 301.308 3.672 20 0 DHADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941136 1022958941 /nfs/dbraw/zinc/95/89/41/1022958941.db2.gz JNXNAHKZDCOWFM-BXKDBHETSA-N -1 3 301.308 3.814 20 0 DHADHM C[C@@H]1CCCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621958666 1022966428 /nfs/dbraw/zinc/96/64/28/1022966428.db2.gz SNUKZTVFPKEHCY-SNVBAGLBSA-N -1 3 301.308 3.673 20 0 DHADHM O=C(Nc1cccc(C(F)(F)F)c1)c1[n-]cnc1C(F)(F)F ZINC000857429129 1023005384 /nfs/dbraw/zinc/00/53/84/1023005384.db2.gz SCBYQGMZCFKEJF-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM O=C(Nc1cccc(C(F)(F)F)c1)c1nc[n-]c1C(F)(F)F ZINC000857429129 1023005394 /nfs/dbraw/zinc/00/53/94/1023005394.db2.gz SCBYQGMZCFKEJF-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM Cc1ccc2c(c1)CCN2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857480761 1023018710 /nfs/dbraw/zinc/01/87/10/1023018710.db2.gz OJEAJEHVPITOOT-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM CC(C)(C)c1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000857485948 1023020808 /nfs/dbraw/zinc/02/08/08/1023020808.db2.gz ZQLINMHSNODDDA-UHFFFAOYSA-N -1 3 315.388 3.914 20 0 DHADHM CC(C)OCCO[N-]C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000857510275 1023025731 /nfs/dbraw/zinc/02/57/31/1023025731.db2.gz HXHLCDDDAXLNDZ-UHFFFAOYSA-N -1 3 321.461 3.780 20 0 DHADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622181025 1023058283 /nfs/dbraw/zinc/05/82/83/1023058283.db2.gz DZNUGXJENOSJCR-MVCUKOFQSA-N -1 3 313.319 3.814 20 0 DHADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc(C)c1C ZINC000667108878 1033104626 /nfs/dbraw/zinc/10/46/26/1033104626.db2.gz JUUYFASTJDKHKR-UHFFFAOYSA-N -1 3 311.381 3.878 20 0 DHADHM CCSc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000769741801 1023207474 /nfs/dbraw/zinc/20/74/74/1023207474.db2.gz FFFCSDMWFGGVRO-WJDWOHSUSA-N -1 3 309.390 3.609 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ncc(C(C)C)s1 ZINC000746304659 1023394752 /nfs/dbraw/zinc/39/47/52/1023394752.db2.gz NZAJWUOETJCYCB-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM O=c1[n-]c(NCc2ccc3c(c2)CCO3)c(Cl)cc1Cl ZINC001167776373 1023513407 /nfs/dbraw/zinc/51/34/07/1023513407.db2.gz ACPXEOVJGKKLNC-UHFFFAOYSA-N -1 3 311.168 3.641 20 0 DHADHM O=C(OCCCOc1ccc(F)cc1)c1cc2occc2[n-]1 ZINC000786030227 1023653227 /nfs/dbraw/zinc/65/32/27/1023653227.db2.gz WDVZYXKIEAOQCO-UHFFFAOYSA-N -1 3 303.289 3.526 20 0 DHADHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031503 1023653290 /nfs/dbraw/zinc/65/32/90/1023653290.db2.gz RMLFXOQJRGRFEC-LLVKDONJSA-N -1 3 311.337 3.752 20 0 DHADHM Cc1cccc2nc(-c3cccc(Br)c3)[n-]c(=O)c12 ZINC000048623067 1023800834 /nfs/dbraw/zinc/80/08/34/1023800834.db2.gz XRPMJSYRNLHUCC-UHFFFAOYSA-N -1 3 315.170 3.661 20 0 DHADHM COc1ccc(Cl)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000538743862 1033163326 /nfs/dbraw/zinc/16/33/26/1033163326.db2.gz RAEDCGXFCHIIDH-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(F)c(F)c1 ZINC000787844391 1023825185 /nfs/dbraw/zinc/82/51/85/1023825185.db2.gz KHCLWSNHUWUVOC-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM CCc1nc(COC(=O)CCCc2ccc([O-])c(F)c2)cs1 ZINC000787851294 1023826649 /nfs/dbraw/zinc/82/66/49/1023826649.db2.gz WWNWKLBZIQAOAQ-UHFFFAOYSA-N -1 3 323.389 3.616 20 0 DHADHM CC[C@H](Cc1ccccc1)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC000652428431 1023857337 /nfs/dbraw/zinc/85/73/37/1023857337.db2.gz LALCCEZYPDGIOB-CQSZACIVSA-N -1 3 318.442 3.685 20 0 DHADHM CC(=O)c1ccc(C(=O)N(Cc2cccs2)C(C)C)cc1[O-] ZINC000667135578 1033170670 /nfs/dbraw/zinc/17/06/70/1033170670.db2.gz ANJLMHUMKBHBRQ-UHFFFAOYSA-N -1 3 317.410 3.707 20 0 DHADHM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OC2CCOCC2)cc1 ZINC000772723521 1023919938 /nfs/dbraw/zinc/91/99/38/1023919938.db2.gz XGYADEOLPOWNRC-AWEZNQCLSA-N -1 3 305.418 3.530 20 0 DHADHM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(Cl)c1[O-] ZINC000060212575 1023963585 /nfs/dbraw/zinc/96/35/85/1023963585.db2.gz BYJMWIGZSMDFPN-SNAWJCMRSA-N -1 3 320.776 3.728 20 0 DHADHM CCC[C@H](O)CCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882283075 1024014080 /nfs/dbraw/zinc/01/40/80/1024014080.db2.gz XAACSJUMBANXFG-LBPRGKRZSA-N -1 3 322.430 3.617 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1[O-] ZINC000882745814 1024117149 /nfs/dbraw/zinc/11/71/49/1024117149.db2.gz HXYDMAXKMVKMTD-KSSFIOAISA-N -1 3 321.376 3.669 20 0 DHADHM O=C(Nc1ccc2nccnc2c1)c1cc2sccc2c([O-])c1 ZINC000791331274 1024473152 /nfs/dbraw/zinc/47/31/52/1024473152.db2.gz SPAUBUMCAMVUAX-UHFFFAOYSA-N -1 3 321.361 3.802 20 0 DHADHM CN(Cc1ccc(O)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791384345 1024480199 /nfs/dbraw/zinc/48/01/99/1024480199.db2.gz IMQWUJRXXYMERT-UHFFFAOYSA-N -1 3 313.378 3.585 20 0 DHADHM COc1ccc(NC(=O)c2cc3sccc3c([O-])c2)c(C)n1 ZINC000791392792 1024487405 /nfs/dbraw/zinc/48/74/05/1024487405.db2.gz ZJVLQBJKYYYYKD-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000003259413 1024541863 /nfs/dbraw/zinc/54/18/63/1024541863.db2.gz CZZNYJQCKZBKAM-UHFFFAOYSA-N -1 3 308.211 3.856 20 0 DHADHM O=C(NC(c1ccccc1)c1ccccc1)c1ccc(O)cc1[O-] ZINC000007307992 1024614773 /nfs/dbraw/zinc/61/47/73/1024614773.db2.gz GLEYNJBJQRGOME-UHFFFAOYSA-N -1 3 319.360 3.617 20 0 DHADHM COCCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000792079251 1024629239 /nfs/dbraw/zinc/62/92/39/1024629239.db2.gz HXWYMFHNEWXEDX-UHFFFAOYSA-N -1 3 313.397 3.577 20 0 DHADHM O=[S@@](Cc1csc(C2CCCC2)n1)c1ccc([O-])cc1 ZINC000108082820 1024631412 /nfs/dbraw/zinc/63/14/12/1024631412.db2.gz RFMRJVMRWCSQDC-HXUWFJFHSA-N -1 3 307.440 3.814 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(-c3csnn3)cc2)c1 ZINC000349611966 1024731852 /nfs/dbraw/zinc/73/18/52/1024731852.db2.gz PRPWDQLYLUJPGG-UHFFFAOYSA-N -1 3 301.346 3.662 20 0 DHADHM CC(C)(C)C1CCC(=CC(=O)NCc2ncccc2[O-])CC1 ZINC000792611162 1024733085 /nfs/dbraw/zinc/73/30/85/1024733085.db2.gz ZELXLCRJIBQFNO-UHFFFAOYSA-N -1 3 302.418 3.566 20 0 DHADHM Cc1cc2cc(CNCc3c(F)ccc([O-])c3F)ccc2[nH]1 ZINC000353505665 1025096236 /nfs/dbraw/zinc/09/62/36/1025096236.db2.gz LBULWNJAVXWUAT-UHFFFAOYSA-N -1 3 302.324 3.750 20 0 DHADHM COc1ccc(NC(=O)Nc2c([O-])cccc2C(C)=O)c(C)c1 ZINC001202728645 1025103965 /nfs/dbraw/zinc/10/39/65/1025103965.db2.gz GYJFMHCWSLTWKP-UHFFFAOYSA-N -1 3 314.341 3.556 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1C=O ZINC000793704753 1025152812 /nfs/dbraw/zinc/15/28/12/1025152812.db2.gz KSAUSVUSOPLBDT-UHFFFAOYSA-N -1 3 303.745 3.727 20 0 DHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OC/C=C/Cl ZINC000794291721 1025248898 /nfs/dbraw/zinc/24/88/98/1025248898.db2.gz YGEQSMKABGAVAB-QPJJXVBHSA-N -1 3 302.201 3.709 20 0 DHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cccs2)no1 ZINC000353830564 1025264604 /nfs/dbraw/zinc/26/46/04/1025264604.db2.gz ZZWYCENDXMQFJN-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C([N-]c1nc(C2CCC2)cs1)c1ncoc1C(F)(F)F ZINC000614053693 1025401290 /nfs/dbraw/zinc/40/12/90/1025401290.db2.gz ALZPNESUFRDSHE-UHFFFAOYSA-N -1 3 317.292 3.670 20 0 DHADHM Cc1cn2c(n1)[C@H](Oc1cccc([O-])c1Br)CCC2 ZINC001229141646 1025417201 /nfs/dbraw/zinc/41/72/01/1025417201.db2.gz LSPDAEVMIXRVPI-GFCCVEGCSA-N -1 3 323.190 3.574 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2csc(C(C)C)n2)n1 ZINC000125567988 1025484985 /nfs/dbraw/zinc/48/49/85/1025484985.db2.gz ISSZWCVZBSPAEB-UHFFFAOYSA-N -1 3 309.460 3.758 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000354976846 1025563526 /nfs/dbraw/zinc/56/35/26/1025563526.db2.gz HCUDTILZKFQQSE-QGZVFWFLSA-N -1 3 311.360 3.745 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(-c3ncco3)cc2)c1[O-] ZINC000536602335 1025679995 /nfs/dbraw/zinc/67/99/95/1025679995.db2.gz BQPJBOIJHLFHMS-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CC[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000411200045 1025877521 /nfs/dbraw/zinc/87/75/21/1025877521.db2.gz ZUEYLEIHODLDRQ-AWEZNQCLSA-N -1 3 311.381 3.518 20 0 DHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000355972689 1025905272 /nfs/dbraw/zinc/90/52/72/1025905272.db2.gz IFRGPEJPDOZTTN-UHFFFAOYSA-N -1 3 322.386 3.597 20 0 DHADHM O=C([N-][C@H](c1ccsc1)c1ccc(Cl)cc1)C(F)F ZINC000194403100 1025964040 /nfs/dbraw/zinc/96/40/40/1025964040.db2.gz CGEYWOBSMGNQRC-NSHDSACASA-N -1 3 301.745 3.872 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1[O-] ZINC000411412322 1025986485 /nfs/dbraw/zinc/98/64/85/1025986485.db2.gz HTVLPJZWOAZFOS-HNNXBMFYSA-N -1 3 315.394 3.634 20 0 DHADHM Cc1cc([C@H](C)N2C[C@H](C)C(F)(F)[C@@H](C)C2)oc1C(=O)[O-] ZINC000629364100 1026062333 /nfs/dbraw/zinc/06/23/33/1026062333.db2.gz IXXHHVABBPOJDO-DCAQKATOSA-N -1 3 301.333 3.570 20 0 DHADHM CC(=O)c1cccc(NC(=O)/C=C/Sc2ccccc2)c1[O-] ZINC000808188420 1026221186 /nfs/dbraw/zinc/22/11/86/1026221186.db2.gz WGJXVPWOMBVBFH-ZHACJKMWSA-N -1 3 313.378 3.839 20 0 DHADHM Cc1nc(C)c(COC(=O)c2cc(Cl)c(Cl)[n-]2)s1 ZINC000729206234 1026395636 /nfs/dbraw/zinc/39/56/36/1026395636.db2.gz KEZBUHAXZXEYSH-UHFFFAOYSA-N -1 3 305.186 3.752 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1Oc1ccncc1 ZINC000513627618 1026548873 /nfs/dbraw/zinc/54/88/73/1026548873.db2.gz WDQYFFRPSPBCGD-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CC(C)(C)OCCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419467959 1026718942 /nfs/dbraw/zinc/71/89/42/1026718942.db2.gz UAYYRRNPCTZUHB-UHFFFAOYSA-N -1 3 310.463 3.888 20 0 DHADHM CO[C@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810548239 1026787102 /nfs/dbraw/zinc/78/71/02/1026787102.db2.gz UJCZMRSPJIJCRX-VHSXEESVSA-N -1 3 313.806 3.997 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000420272487 1026794258 /nfs/dbraw/zinc/79/42/58/1026794258.db2.gz MDWWQKGRWNPAES-LRDDRELGSA-N -1 3 311.372 3.993 20 0 DHADHM C[C@@H]1C[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C[C@H](C)O1 ZINC000810672948 1026823251 /nfs/dbraw/zinc/82/32/51/1026823251.db2.gz QAGCWRUYLWQPTN-DIYOJNKTSA-N -1 3 313.806 3.996 20 0 DHADHM C[C@@H](C[C@@H]1CCOC1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810750749 1026845634 /nfs/dbraw/zinc/84/56/34/1026845634.db2.gz PNOBWIIQQVJFHZ-IUCAKERBSA-N -1 3 313.806 3.855 20 0 DHADHM O=C(OC[C@H](F)C(F)(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810860460 1026877721 /nfs/dbraw/zinc/87/77/21/1026877721.db2.gz TVTMFVREEHKXMV-LURJTMIESA-N -1 3 315.675 3.940 20 0 DHADHM COc1cc(Cl)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000811185931 1026950641 /nfs/dbraw/zinc/95/06/41/1026950641.db2.gz XFVUMRNXCCAUDZ-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM O=C(OCc1nnc(C2CC2)o1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393538 1026991585 /nfs/dbraw/zinc/99/15/85/1026991585.db2.gz MGMDKYYAYBKBRB-UHFFFAOYSA-N -1 3 323.761 3.500 20 0 DHADHM CSc1cc(O)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000811454926 1027004477 /nfs/dbraw/zinc/00/44/77/1027004477.db2.gz UDNNOOSXZKPZMY-UHFFFAOYSA-N -1 3 309.774 3.725 20 0 DHADHM COC(=O)/C(=C\c1cc([O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC000811688847 1027067059 /nfs/dbraw/zinc/06/70/59/1027067059.db2.gz UDZRJVHUWOKNLT-ZSOIEALJSA-N -1 3 323.270 3.520 20 0 DHADHM CC[C@@H](NCc1ncccc1[O-])c1ccccc1OC(F)F ZINC000561950871 1027139865 /nfs/dbraw/zinc/13/98/65/1027139865.db2.gz IIXWZTCUFAXQFY-GFCCVEGCSA-N -1 3 308.328 3.630 20 0 DHADHM CC[C@@H](C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000295402840 1027258261 /nfs/dbraw/zinc/25/82/61/1027258261.db2.gz QVOFEHMHXPYPRX-HQJQHLMTSA-N -1 3 309.715 3.752 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)Cc1ccc(Cl)cc1 ZINC000812409502 1027270143 /nfs/dbraw/zinc/27/01/43/1027270143.db2.gz RHFVXYSKJVUOGV-IGVIJBNESA-N -1 3 302.201 3.709 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)Cc1ccc(Cl)cc1 ZINC000812409503 1027270965 /nfs/dbraw/zinc/27/09/65/1027270965.db2.gz RHFVXYSKJVUOGV-JNWMYZIBSA-N -1 3 302.201 3.709 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2cccc(C3CCC3)c2)c2ccccc21 ZINC000812445036 1027284660 /nfs/dbraw/zinc/28/46/60/1027284660.db2.gz LCTYUBPSOKZHPO-LDADJPATSA-N -1 3 318.376 3.677 20 0 DHADHM CCc1cccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000574162719 1027367831 /nfs/dbraw/zinc/36/78/31/1027367831.db2.gz PPIBIGYZROURFH-GOSISDBHSA-N -1 3 313.397 3.563 20 0 DHADHM O=C(Nc1nc2c(s1)CCC2)c1cc([O-])c2ccccc2c1 ZINC000574242621 1027377694 /nfs/dbraw/zinc/37/76/94/1027377694.db2.gz HSWYOSBNWRJYHD-UHFFFAOYSA-N -1 3 310.378 3.743 20 0 DHADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1ccc(Br)cc1 ZINC000812794502 1027421795 /nfs/dbraw/zinc/42/17/95/1027421795.db2.gz GXJFSXFGXMGLQZ-JTQLQIEISA-N -1 3 312.207 3.543 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(Cl)cc2)OC)c1 ZINC000812798679 1027425649 /nfs/dbraw/zinc/42/56/49/1027425649.db2.gz CWVJLHPRVVWBJC-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295793175 1027431406 /nfs/dbraw/zinc/43/14/06/1027431406.db2.gz DPZCAWGQIDCODZ-KBPBESRZSA-N -1 3 312.413 3.887 20 0 DHADHM CC(C)C[C@]1(C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295795677 1027434514 /nfs/dbraw/zinc/43/45/14/1027434514.db2.gz ATLIGKAMSAIWEO-IBGZPJMESA-N -1 3 312.413 3.981 20 0 DHADHM CC(C)c1ccc(CCNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000562638499 1027541828 /nfs/dbraw/zinc/54/18/28/1027541828.db2.gz BJDYPNNXIBBWSB-UHFFFAOYSA-N -1 3 315.388 3.556 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1F ZINC000047247676 1027560334 /nfs/dbraw/zinc/56/03/34/1027560334.db2.gz CZXUKPICLZMRDF-SNVBAGLBSA-N -1 3 311.278 3.934 20 0 DHADHM Cc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000576096771 1027561429 /nfs/dbraw/zinc/56/14/29/1027561429.db2.gz UDDNFKJZIZWXQG-UHFFFAOYSA-N -1 3 319.351 3.750 20 0 DHADHM COc1cc2nc(-c3cc(Cl)c([O-])c(OC)c3)[nH]c2cc1C ZINC000577179779 1027722860 /nfs/dbraw/zinc/72/28/60/1027722860.db2.gz NPYNMQNSLWXGQI-UHFFFAOYSA-N -1 3 318.760 3.915 20 0 DHADHM CC(C)O[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000296739278 1027724157 /nfs/dbraw/zinc/72/41/57/1027724157.db2.gz APYICGKAXDMYNP-OLZOCXBDSA-N -1 3 316.426 3.802 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](C2CC2)C1 ZINC000813846080 1027740673 /nfs/dbraw/zinc/74/06/73/1027740673.db2.gz FZGHATMBJYHYMF-LBPRGKRZSA-N -1 3 301.411 3.869 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H](CC2CCCC2)C1 ZINC000364583731 1027848915 /nfs/dbraw/zinc/84/89/15/1027848915.db2.gz WKRLANZMQGKGLI-HNNXBMFYSA-N -1 3 324.424 3.571 20 0 DHADHM CCCN(CC(C)C)C(=O)c1cc([O-])cc(Br)c1 ZINC000527880595 1027950688 /nfs/dbraw/zinc/95/06/88/1027950688.db2.gz MGBKFDMQIIWOOA-UHFFFAOYSA-N -1 3 314.223 3.663 20 0 DHADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1(C)C ZINC000563284741 1027979664 /nfs/dbraw/zinc/97/96/64/1027979664.db2.gz VPHUDJMXGCTUTG-IINYFYTJSA-N -1 3 313.800 3.973 20 0 DHADHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000577921705 1027991246 /nfs/dbraw/zinc/99/12/46/1027991246.db2.gz QOKYRPZFFPJOJJ-MSOLQXFVSA-N -1 3 303.361 3.831 20 0 DHADHM Cn1cc([C@H]2CCN(C(=O)c3ccccc3[O-])C2)c2ccccc21 ZINC000365765171 1028002421 /nfs/dbraw/zinc/00/24/21/1028002421.db2.gz OTKFYQDTMMEVFW-AWEZNQCLSA-N -1 3 320.392 3.514 20 0 DHADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc2c(c1)CCO2 ZINC001134346481 1028053324 /nfs/dbraw/zinc/05/33/24/1028053324.db2.gz JBFQKZITKICSLS-JTQLQIEISA-N -1 3 318.756 3.899 20 0 DHADHM CC(C)OCc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448797813 1028097940 /nfs/dbraw/zinc/09/79/40/1028097940.db2.gz GKCVKJDLYUVXQC-UHFFFAOYSA-N -1 3 317.360 3.638 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)c1ccccc1 ZINC000578926172 1028275755 /nfs/dbraw/zinc/27/57/55/1028275755.db2.gz YHTVOUKUZXDKMD-NEPJUHHUSA-N -1 3 303.789 3.968 20 0 DHADHM CCN(Cc1ccoc1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000579484939 1028420450 /nfs/dbraw/zinc/42/04/50/1028420450.db2.gz ZAQBJDWCMOGQJN-GFCCVEGCSA-N -1 3 303.358 3.570 20 0 DHADHM CCCO[C@H]1CCCN(C(=O)c2ccc(SC)cc2[O-])CC1 ZINC000368911208 1028423415 /nfs/dbraw/zinc/42/34/15/1028423415.db2.gz BFWRUKYGHBYGRM-ZDUSSCGKSA-N -1 3 323.458 3.535 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cnc(CC(C)C)s2)c1[O-] ZINC000935986773 1028438056 /nfs/dbraw/zinc/43/80/56/1028438056.db2.gz PKJXYYRDSZTBQY-UHFFFAOYSA-N -1 3 318.398 3.502 20 0 DHADHM Cc1nsc(NC2CC2)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000579603234 1028446804 /nfs/dbraw/zinc/44/68/04/1028446804.db2.gz MFIISRCOWMOVBP-UHFFFAOYSA-N -1 3 323.805 3.637 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2)n1 ZINC000369881935 1028540351 /nfs/dbraw/zinc/54/03/51/1028540351.db2.gz IOIPNDKAOIOVPL-QLPKVWCKSA-N -1 3 323.396 3.532 20 0 DHADHM Cc1nonc1[N-]C(=O)c1occc1CSc1ccccc1 ZINC000076279249 1028576138 /nfs/dbraw/zinc/57/61/38/1028576138.db2.gz HWQAIGUYSGQGND-UHFFFAOYSA-N -1 3 315.354 3.516 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000626507688 1028582689 /nfs/dbraw/zinc/58/26/89/1028582689.db2.gz KASXZGITIAIJAU-GHMZBOCLSA-N -1 3 301.308 3.504 20 0 DHADHM CCN(Cc1ccc(Cl)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000565520197 1028596406 /nfs/dbraw/zinc/59/64/06/1028596406.db2.gz AHEBWOSKCNFBJC-GFCCVEGCSA-N -1 3 305.809 3.727 20 0 DHADHM CCc1c(NC(=O)c2c(C)cccc2[O-])cnn1CCC(C)C ZINC000626658370 1028639284 /nfs/dbraw/zinc/63/92/84/1028639284.db2.gz JNZHDPUVHPUYLN-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM CC1(C)CCc2sc([N-]C(=O)c3ocnc3C(F)F)nc21 ZINC000627789647 1028817717 /nfs/dbraw/zinc/81/77/17/1028817717.db2.gz KEDUPNXRCRYLCB-UHFFFAOYSA-N -1 3 313.329 3.545 20 0 DHADHM [O-]c1ccc(F)c(CN2CCS[C@@H](c3ccccc3)C2)c1F ZINC000816512812 1028911283 /nfs/dbraw/zinc/91/12/83/1028911283.db2.gz VPJWNFQAERVJKT-MRXNPFEDSA-N -1 3 321.392 3.961 20 0 DHADHM CCN(Cc1c(F)ccc([O-])c1F)C[C@@H](O)c1ccc(C)cc1 ZINC000816515158 1028919551 /nfs/dbraw/zinc/91/95/51/1028919551.db2.gz QYWWIRKDYFFLMX-QGZVFWFLSA-N -1 3 321.367 3.534 20 0 DHADHM Cc1cc(F)ccc1[C@@H](C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000830346466 1028935116 /nfs/dbraw/zinc/93/51/16/1028935116.db2.gz MJXVREAMXWIPDF-SECBINFHSA-N -1 3 314.332 3.560 20 0 DHADHM COc1ccc(Cl)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001135688705 1028998831 /nfs/dbraw/zinc/99/88/31/1028998831.db2.gz BKWNUWOBRDVRPR-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CCCCC2)o1 ZINC000568066215 1029003305 /nfs/dbraw/zinc/00/33/05/1029003305.db2.gz TZGJDWOFCUSXLY-UHFFFAOYSA-N -1 3 303.358 3.906 20 0 DHADHM O=C([N-]CCCSCCCc1cccc(F)c1)C(F)(F)F ZINC000778626767 1029012053 /nfs/dbraw/zinc/01/20/53/1029012053.db2.gz MDVGWHMNIAUSDV-UHFFFAOYSA-N -1 3 323.355 3.560 20 0 DHADHM Cc1cc2sc([N-]C(=O)c3c(F)ccnc3F)nc2c(C)c1 ZINC000816831997 1029012741 /nfs/dbraw/zinc/01/27/41/1029012741.db2.gz MJIWSGNKMRTORH-UHFFFAOYSA-N -1 3 319.336 3.839 20 0 DHADHM COC(=O)c1nc2cccc(-c3ccc([O-])cc3F)c2s1 ZINC001206087497 1029089228 /nfs/dbraw/zinc/08/92/28/1029089228.db2.gz CQWDWIGFRGAFNG-UHFFFAOYSA-N -1 3 303.314 3.595 20 0 DHADHM O=C(CCCOc1ccc(Cl)cc1Cl)[N-]OCC1CC1 ZINC000817349908 1029126772 /nfs/dbraw/zinc/12/67/72/1029126772.db2.gz MGRNOJSQOCYILP-UHFFFAOYSA-N -1 3 318.200 3.610 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000628934126 1029186541 /nfs/dbraw/zinc/18/65/41/1029186541.db2.gz UBIYWIKTPLDEPV-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM Nc1ccc(C(=O)Nc2ccccc2OC2CCCC2)c([O-])c1 ZINC000817922256 1029274804 /nfs/dbraw/zinc/27/48/04/1029274804.db2.gz CIWCUMYWRJSMGT-UHFFFAOYSA-N -1 3 312.369 3.548 20 0 DHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)C1(F)F ZINC000629364840 1029310950 /nfs/dbraw/zinc/31/09/50/1029310950.db2.gz PCYHCLPPAFWFDV-BREBYQMCSA-N -1 3 317.763 3.689 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000629373197 1029317033 /nfs/dbraw/zinc/31/70/33/1029317033.db2.gz HSMKKEGVYOLPPR-LALPHHSUSA-N -1 3 311.784 3.554 20 0 DHADHM CC(C)(C)c1csc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC000629378955 1029320821 /nfs/dbraw/zinc/32/08/21/1029320821.db2.gz VQODGMCPVIQEMD-AGIUHOORSA-N -1 3 322.474 3.516 20 0 DHADHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450298122 1029333066 /nfs/dbraw/zinc/33/30/66/1029333066.db2.gz LXKJUMJXYOSVAW-HXPMCKFVSA-N -1 3 313.372 3.514 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1sc(C)cc1OC(F)F ZINC000121073493 1029490543 /nfs/dbraw/zinc/49/05/43/1029490543.db2.gz ZWMMFEPOLVAEAU-UHFFFAOYSA-N -1 3 316.329 3.769 20 0 DHADHM Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450608040 1029576344 /nfs/dbraw/zinc/57/63/44/1029576344.db2.gz BISJIQGREVUWNG-CYBMUJFWSA-N -1 3 301.361 3.568 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303429801 1029749621 /nfs/dbraw/zinc/74/96/21/1029749621.db2.gz BRGIHNHBXQBZNR-VXGBXAGGSA-N -1 3 322.286 3.548 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000794849433 1029901120 /nfs/dbraw/zinc/90/11/20/1029901120.db2.gz GOSKTTWIRJIJCL-UKRRQHHQSA-N -1 3 305.418 3.599 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-n3cccc3)ccc2F)c1 ZINC001136537682 1029937918 /nfs/dbraw/zinc/93/79/18/1029937918.db2.gz RRDHDOCOVDTLKC-UHFFFAOYSA-N -1 3 310.328 3.883 20 0 DHADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000357336826 1030004456 /nfs/dbraw/zinc/00/44/56/1030004456.db2.gz MNAXWSKELXMDFQ-DGCLKSJQSA-N -1 3 322.368 3.759 20 0 DHADHM CC(C)(C)C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000452080914 1030121651 /nfs/dbraw/zinc/12/16/51/1030121651.db2.gz PTMLEKGYWIFWIM-LLVKDONJSA-N -1 3 305.447 3.655 20 0 DHADHM Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159902 1030161514 /nfs/dbraw/zinc/16/15/14/1030161514.db2.gz DSKAIMXUMYSQQE-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC001136739500 1030331263 /nfs/dbraw/zinc/33/12/63/1030331263.db2.gz YWFPMTWEJYACIL-UHFFFAOYSA-N -1 3 315.417 3.529 20 0 DHADHM CC(C)CC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001136794212 1030418362 /nfs/dbraw/zinc/41/83/62/1030418362.db2.gz GJRQGZWDEONIIK-INIZCTEOSA-N -1 3 321.417 3.702 20 0 DHADHM CCc1cc2c(CC(=O)[N-]OCC(F)(F)F)csc2s1 ZINC000866733281 1030430928 /nfs/dbraw/zinc/43/09/28/1030430928.db2.gz IWSSZEQVMPYPKB-UHFFFAOYSA-N -1 3 323.361 3.678 20 0 DHADHM Oc1ccc2c(c1)C[C@@H](Nc1ccc3c(c1)[N-]C(=S)C3)CC2 ZINC001171041063 1030452536 /nfs/dbraw/zinc/45/25/36/1030452536.db2.gz SGMPIQRSMIFOGB-AWEZNQCLSA-N -1 3 310.422 3.657 20 0 DHADHM CCc1ccccc1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618773 1030460165 /nfs/dbraw/zinc/46/01/65/1030460165.db2.gz HNNULHZXZYZFSA-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(Cl)cc1[O-] ZINC000533618688 1030461206 /nfs/dbraw/zinc/46/12/06/1030461206.db2.gz BDPJYMAOWPTPEX-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1cc([O-])cc(F)c1 ZINC000925729664 1030467999 /nfs/dbraw/zinc/46/79/99/1030467999.db2.gz LRBGARHIVRDUGC-LBPRGKRZSA-N -1 3 314.360 3.831 20 0 DHADHM Cc1cnc(Nc2ccc([O-])c(F)c2F)c(Br)c1 ZINC001211997757 1030487072 /nfs/dbraw/zinc/48/70/72/1030487072.db2.gz JZKPKTVBQJYNKU-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CSc1ccc(Cl)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000824477713 1030560760 /nfs/dbraw/zinc/56/07/60/1030560760.db2.gz DQTLPSYORDNXOC-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1ccc(Cl)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000824477713 1030560768 /nfs/dbraw/zinc/56/07/68/1030560768.db2.gz DQTLPSYORDNXOC-GFCCVEGCSA-N -1 3 316.810 3.642 20 0 DHADHM [O-]c1ccc(Nc2ncc(F)cc2Br)c(F)c1F ZINC001212000097 1030565963 /nfs/dbraw/zinc/56/59/63/1030565963.db2.gz NPCAPXFPGLXWBO-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CC(C)OC(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212007659 1030643929 /nfs/dbraw/zinc/64/39/29/1030643929.db2.gz UUEBIAVIEBAKJC-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM COc1cnc2c(cccc2Nc2ccc([O-])c(F)c2F)c1 ZINC001212013842 1030660829 /nfs/dbraw/zinc/66/08/29/1030660829.db2.gz LZWYMHDNVCXIRS-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM O=C1CCCc2cc(Nc3ccc([O-])c(F)c3F)ccc2N1 ZINC001212014022 1030661482 /nfs/dbraw/zinc/66/14/82/1030661482.db2.gz VTMPJOVAUQUSFL-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM CCOC(=O)c1ccc(OC)cc1Nc1ccc([O-])c(F)c1F ZINC001212013817 1030661604 /nfs/dbraw/zinc/66/16/04/1030661604.db2.gz LGOMTOZSNMSZBV-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM COC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1Cl ZINC001212016225 1030672904 /nfs/dbraw/zinc/67/29/04/1030672904.db2.gz FEIMBPCWAOONNH-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)[C@H]1CCc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212016548 1030674670 /nfs/dbraw/zinc/67/46/70/1030674670.db2.gz VSWIOZFMKQXDRO-LBPRGKRZSA-N -1 3 319.307 3.617 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001137002750 1030753048 /nfs/dbraw/zinc/75/30/48/1030753048.db2.gz TUOYXKTVKZCBRG-RDJZCZTQSA-N -1 3 309.409 3.966 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c(c1)C=CCCC2 ZINC000825255137 1030761560 /nfs/dbraw/zinc/76/15/60/1030761560.db2.gz YATWBIBHLXAIBS-MRXNPFEDSA-N -1 3 302.374 3.616 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c(c1)C=CCCC2 ZINC000825255137 1030761575 /nfs/dbraw/zinc/76/15/75/1030761575.db2.gz YATWBIBHLXAIBS-MRXNPFEDSA-N -1 3 302.374 3.616 20 0 DHADHM [O-]c1ccc(Cl)c(F)c1CN1CCC(C(F)(F)F)CC1 ZINC000191213736 1030870194 /nfs/dbraw/zinc/87/01/94/1030870194.db2.gz JJPYRNWLBCBLIK-UHFFFAOYSA-N -1 3 311.706 3.959 20 0 DHADHM CSCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001143690025 1030906088 /nfs/dbraw/zinc/90/60/88/1030906088.db2.gz JENCTXFRKTZSGP-UHFFFAOYSA-N -1 3 315.320 3.544 20 0 DHADHM CSCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001143690025 1030906095 /nfs/dbraw/zinc/90/60/95/1030906095.db2.gz JENCTXFRKTZSGP-UHFFFAOYSA-N -1 3 315.320 3.544 20 0 DHADHM O=C(NCC1CCC(F)CC1)c1cc2sccc2c([O-])c1 ZINC000844096351 1030954447 /nfs/dbraw/zinc/95/44/47/1030954447.db2.gz DJMBXCZKIOIRRQ-UHFFFAOYSA-N -1 3 307.390 3.865 20 0 DHADHM COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)ccc1[O-] ZINC000067735368 1030960869 /nfs/dbraw/zinc/96/08/69/1030960869.db2.gz KHPGVUCLNTYKGC-DHDCSXOGSA-N -1 3 307.349 3.808 20 0 DHADHM C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc([O-])c1F ZINC000926920813 1030995554 /nfs/dbraw/zinc/99/55/54/1030995554.db2.gz SCAVJQAEBDTQIJ-RYUDHWBXSA-N -1 3 301.361 3.706 20 0 DHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000292543298 1031062426 /nfs/dbraw/zinc/06/24/26/1031062426.db2.gz QVCPYJVOJLKCJV-UHFFFAOYSA-N -1 3 308.407 3.508 20 0 DHADHM O=C(NCC[C@H]1CCCS1)c1cc([O-])c2ccccc2c1 ZINC000871036389 1031128456 /nfs/dbraw/zinc/12/84/56/1031128456.db2.gz ZNFHBSPFVSHFPW-CQSZACIVSA-N -1 3 301.411 3.561 20 0 DHADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000359836502 1031155386 /nfs/dbraw/zinc/15/53/86/1031155386.db2.gz AQJDLIMKLGTBBF-NWDGAFQWSA-N -1 3 302.378 3.528 20 0 DHADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000359836503 1031156389 /nfs/dbraw/zinc/15/63/89/1031156389.db2.gz AQJDLIMKLGTBBF-RYUDHWBXSA-N -1 3 302.378 3.528 20 0 DHADHM CC(C)(CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871211151 1031162446 /nfs/dbraw/zinc/16/24/46/1031162446.db2.gz LTOZPYQXCZVCLC-UHFFFAOYSA-N -1 3 303.324 3.745 20 0 DHADHM CC(C)(C)SCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871214122 1031164571 /nfs/dbraw/zinc/16/45/71/1031164571.db2.gz HUOUADJCEWBIII-UHFFFAOYSA-N -1 3 301.374 3.689 20 0 DHADHM CN(CCC(=O)[O-])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000263407121 1031187960 /nfs/dbraw/zinc/18/79/60/1031187960.db2.gz KIDTVYIORLPQCH-UHFFFAOYSA-N -1 3 311.809 3.568 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](OC2CCC2)CC1 ZINC000871326318 1031196472 /nfs/dbraw/zinc/19/64/72/1031196472.db2.gz DJQVIQAIJWJUPW-AWEZNQCLSA-N -1 3 323.820 3.609 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)SC[C@H]2OCCc3ccccc32)n1 ZINC000871695581 1031272627 /nfs/dbraw/zinc/27/26/27/1031272627.db2.gz CTWXXPUMWPMSCN-SWLSCSKDSA-N -1 3 316.426 3.599 20 0 DHADHM Cc1ccc(COc2ccc3c([O-])coc3c2C)nc1Cl ZINC000871799544 1031317886 /nfs/dbraw/zinc/31/78/86/1031317886.db2.gz JZNPGUOLGVODQV-UHFFFAOYSA-N -1 3 303.745 3.506 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000928787791 1031383588 /nfs/dbraw/zinc/38/35/88/1031383588.db2.gz OXRJRRYCGDDCIQ-UHFFFAOYSA-N -1 3 305.378 3.854 20 0 DHADHM C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc([O-])c1F ZINC000872017364 1031398880 /nfs/dbraw/zinc/39/88/80/1031398880.db2.gz AHLDMIYLBUYKDB-JTQLQIEISA-N -1 3 311.303 3.984 20 0 DHADHM Cc1cccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1C ZINC000360375603 1031402482 /nfs/dbraw/zinc/40/24/82/1031402482.db2.gz WUSVPQDHKLAVFX-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1cccc([O-])c1F ZINC000872048250 1031436625 /nfs/dbraw/zinc/43/66/25/1031436625.db2.gz HZVRFBVBRAFFGK-TVQRCGJNSA-N -1 3 307.752 3.969 20 0 DHADHM CCCCn1cc(CN[C@@H](C)c2cccc([O-])c2F)c(C)n1 ZINC000872054342 1031443271 /nfs/dbraw/zinc/44/32/71/1031443271.db2.gz UBXSHSXKYCPEGP-ZDUSSCGKSA-N -1 3 305.397 3.687 20 0 DHADHM C[C@H](Nc1ccc(N2CCCC2)nc1)c1cccc([O-])c1F ZINC000872057609 1031450078 /nfs/dbraw/zinc/45/00/78/1031450078.db2.gz GOFXVSHYRQTAAL-LBPRGKRZSA-N -1 3 301.365 3.700 20 0 DHADHM C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc([O-])c1F ZINC000872060071 1031451387 /nfs/dbraw/zinc/45/13/87/1031451387.db2.gz LQGLVJUOMDKXOA-GFCCVEGCSA-N -1 3 318.392 3.954 20 0 DHADHM COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc([O-])c1F)CCO2 ZINC000872062851 1031457671 /nfs/dbraw/zinc/45/76/71/1031457671.db2.gz KLNQTNMFVDJUMW-NHYWBVRUSA-N -1 3 317.360 3.714 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc([C@@H]3CCOC3)cc2)c1F ZINC000293690288 1031572555 /nfs/dbraw/zinc/57/25/55/1031572555.db2.gz QNVQEQNDHGJSAQ-GFCCVEGCSA-N -1 3 305.324 3.786 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc([C@H]3CCOC3)cc2)c1F ZINC000293690291 1031572683 /nfs/dbraw/zinc/57/26/83/1031572683.db2.gz QNVQEQNDHGJSAQ-LBPRGKRZSA-N -1 3 305.324 3.786 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000561157974 1031754381 /nfs/dbraw/zinc/75/43/81/1031754381.db2.gz GOASOELDMWRHSN-XHDPSFHLSA-N -1 3 316.426 3.572 20 0 DHADHM Cc1c(C)c(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c(C)c1N ZINC001144631027 1031780678 /nfs/dbraw/zinc/78/06/78/1031780678.db2.gz CCGVDIBTWYWFKY-UHFFFAOYSA-N -1 3 316.376 3.528 20 0 DHADHM COc1ccc([C@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)cc1 ZINC001144659657 1031818202 /nfs/dbraw/zinc/81/82/02/1031818202.db2.gz OJEHPHDGEASDJM-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM CCSc1ccccc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000930662257 1031907954 /nfs/dbraw/zinc/90/79/54/1031907954.db2.gz TXMFZNWNABMIKX-UHFFFAOYSA-N -1 3 317.458 3.628 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001144768060 1031950058 /nfs/dbraw/zinc/95/00/58/1031950058.db2.gz HXHBVQBWOOYLCR-UHFFFAOYSA-N -1 3 313.397 3.750 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000874054504 1031969891 /nfs/dbraw/zinc/96/98/91/1031969891.db2.gz FTRIUZVFWMDFFK-JTQLQIEISA-N -1 3 324.302 3.649 20 0 DHADHM CC[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H](CC)CO1 ZINC000846375271 1031970130 /nfs/dbraw/zinc/97/01/30/1031970130.db2.gz NXDHMOVNBKCKBI-STQMWFEESA-N -1 3 319.426 3.637 20 0 DHADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000874134195 1031980908 /nfs/dbraw/zinc/98/09/08/1031980908.db2.gz HLWDRQNQAKFGDB-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]OC1CCCCC1 ZINC000777959905 1032045640 /nfs/dbraw/zinc/04/56/40/1032045640.db2.gz JELGNVUDJZURNG-UHFFFAOYSA-N -1 3 301.308 3.628 20 0 DHADHM O=C(/C=C/c1nc2ccccc2s1)[N-]OC1CCCCC1 ZINC000777960408 1032046816 /nfs/dbraw/zinc/04/68/16/1032046816.db2.gz GHYFCXVZOSAHQP-ZHACJKMWSA-N -1 3 302.399 3.690 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H](C(F)(F)F)C1 ZINC000888019125 1033464742 /nfs/dbraw/zinc/46/47/42/1033464742.db2.gz KJBJLUIBAMCBSS-VIFPVBQESA-N -1 3 315.316 3.631 20 0 DHADHM Cc1ccccc1[C@H](C)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877987217 1033544633 /nfs/dbraw/zinc/54/46/33/1033544633.db2.gz BHUSOYUQBHPKCO-AWEZNQCLSA-N -1 3 323.396 3.944 20 0 DHADHM CCc1oc2ccccc2c1CC(=O)[N-]OCCC(F)(F)F ZINC000860996263 1033553425 /nfs/dbraw/zinc/55/34/25/1033553425.db2.gz VNGVRFIRQKEFBC-UHFFFAOYSA-N -1 3 315.291 3.538 20 0 DHADHM [O-]c1cncc(-c2nc(-c3ccc4nccc(Cl)c4c3)no2)c1 ZINC001212709030 1033573046 /nfs/dbraw/zinc/57/30/46/1033573046.db2.gz ZRKODTNAVAUGBU-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM C[C@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)[C@H]1c1ccccc1 ZINC000878166341 1033608223 /nfs/dbraw/zinc/60/82/23/1033608223.db2.gz RRBGRIAQMFPQQN-SCLBCKFNSA-N -1 3 321.380 3.635 20 0 DHADHM Cc1cc(C)cc([C@H](C)NCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000878362148 1033672150 /nfs/dbraw/zinc/67/21/50/1033672150.db2.gz NPNBIZYSZZPHHO-AWEZNQCLSA-N -1 3 323.396 3.910 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000878362149 1033673413 /nfs/dbraw/zinc/67/34/13/1033673413.db2.gz NPNBIZYSZZPHHO-CQSZACIVSA-N -1 3 323.396 3.910 20 0 DHADHM CC(=O)c1ccc(C(=O)N(CC(C)C)c2ccccc2)cc1[O-] ZINC000667494529 1033761771 /nfs/dbraw/zinc/76/17/71/1033761771.db2.gz DLIGCTQOUJBKGT-UHFFFAOYSA-N -1 3 311.381 3.898 20 0 DHADHM Cc1cc2c(cc1C)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000878603139 1033767959 /nfs/dbraw/zinc/76/79/59/1033767959.db2.gz RXPDZCJVNRFGLT-UHFFFAOYSA-N -1 3 321.380 3.622 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2CC2)c(C)c1 ZINC000479569074 1033808803 /nfs/dbraw/zinc/80/88/03/1033808803.db2.gz UVCBSPZWBDYRSL-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM CCn1nc(C)c(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000350016747 1033899524 /nfs/dbraw/zinc/89/95/24/1033899524.db2.gz IIZGQCFVTOFEIO-UHFFFAOYSA-N -1 3 309.369 3.631 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000863011696 1033976764 /nfs/dbraw/zinc/97/67/64/1033976764.db2.gz MXNYWEKMNKJZKP-VIFPVBQESA-N -1 3 311.353 3.867 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc(F)c1F ZINC001173947861 1034007458 /nfs/dbraw/zinc/00/74/58/1034007458.db2.gz YJGHWRFDBBOJBD-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174148434 1034173425 /nfs/dbraw/zinc/17/34/25/1034173425.db2.gz AQGWONYOBCCZNF-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM CCCCNC(=O)c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174120732 1034188228 /nfs/dbraw/zinc/18/82/28/1034188228.db2.gz PEUSXIXJQDKMAR-UHFFFAOYSA-N -1 3 319.792 3.714 20 0 DHADHM CCCn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001174217556 1034228911 /nfs/dbraw/zinc/22/89/11/1034228911.db2.gz PDTZCTGLJBMGTR-UHFFFAOYSA-N -1 3 321.178 3.940 20 0 DHADHM CC(C)(C)c1nsc([N-]c2ccc(C(F)(F)F)nc2)n1 ZINC001174309153 1034276730 /nfs/dbraw/zinc/27/67/30/1034276730.db2.gz KSVJRWSXMQHBDL-UHFFFAOYSA-N -1 3 302.325 3.993 20 0 DHADHM Cc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051090 1034278514 /nfs/dbraw/zinc/27/85/14/1034278514.db2.gz AGSMKOUDMXJAHM-KBPBESRZSA-N -1 3 321.417 3.502 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc2n[nH]cc21 ZINC001174344800 1034307253 /nfs/dbraw/zinc/30/72/53/1034307253.db2.gz DMJUIBJQXRHJPR-UHFFFAOYSA-N -1 3 322.137 3.914 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc(C)oc1C ZINC000864528584 1034376774 /nfs/dbraw/zinc/37/67/74/1034376774.db2.gz RKJLHIRLDRUXJS-KRWDZBQOSA-N -1 3 301.386 3.764 20 0 DHADHM CNc1ncc2cc(Nc3cccc(Cl)c3[O-])ccc2n1 ZINC001174532658 1034448828 /nfs/dbraw/zinc/44/88/28/1034448828.db2.gz VBPPUQZKFUTFBA-UHFFFAOYSA-N -1 3 300.749 3.774 20 0 DHADHM CSc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000555099918 1034503457 /nfs/dbraw/zinc/50/34/57/1034503457.db2.gz IKXNHTIYJWWBES-UHFFFAOYSA-N -1 3 310.378 3.915 20 0 DHADHM CCOCCOCc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185481375 1034552301 /nfs/dbraw/zinc/55/23/01/1034552301.db2.gz SCAVBRFOSVPSKU-UHFFFAOYSA-N -1 3 319.376 3.697 20 0 DHADHM CC[C@H](SCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000865358948 1034606587 /nfs/dbraw/zinc/60/65/87/1034606587.db2.gz AXPWAWJUGFWUHV-HNNXBMFYSA-N -1 3 316.426 3.639 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc2cc[nH]c2c1 ZINC001174748032 1034608850 /nfs/dbraw/zinc/60/88/50/1034608850.db2.gz ZFQMCKWDTNVEED-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)Nc2cc(Cl)ccc2[O-])no1 ZINC000186210129 1034609538 /nfs/dbraw/zinc/60/95/38/1034609538.db2.gz MIFCWSAQJWGZAT-UHFFFAOYSA-N -1 3 324.764 3.601 20 0 DHADHM O=C(Nc1ccnn1CC1CCC1)c1cc([O-])c2ccccc2c1 ZINC001174878055 1034659597 /nfs/dbraw/zinc/65/95/97/1034659597.db2.gz JFEUZERBYMLREF-UHFFFAOYSA-N -1 3 321.380 3.794 20 0 DHADHM COc1cc(F)c(Nc2cc(=O)[n-]n2C2CCCC2)cc1F ZINC001174923255 1034685401 /nfs/dbraw/zinc/68/54/01/1034685401.db2.gz HBRBPDHWNOHYPB-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM CCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C(F)(F)F ZINC001175032932 1034762272 /nfs/dbraw/zinc/76/22/72/1034762272.db2.gz ILVWJCZFESOLEA-UHFFFAOYSA-N -1 3 313.279 3.652 20 0 DHADHM [O-]c1cc(F)c(Nc2c(O)cccc2Br)c(F)c1 ZINC001175100627 1034781945 /nfs/dbraw/zinc/78/19/45/1034781945.db2.gz ZDPRSEDXQVDQCN-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CC(=O)N1CCCc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175099735 1034781987 /nfs/dbraw/zinc/78/19/87/1034781987.db2.gz QVNXBAAXKVBWEN-UHFFFAOYSA-N -1 3 318.323 3.713 20 0 DHADHM COC(=O)/C=C/c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175102018 1034783408 /nfs/dbraw/zinc/78/34/08/1034783408.db2.gz CHVRMBQSSIKWSR-QPJJXVBHSA-N -1 3 305.280 3.600 20 0 DHADHM CCOC(=O)Cc1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175102314 1034785051 /nfs/dbraw/zinc/78/50/51/1034785051.db2.gz ICNGPUSWULKLJZ-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM CC1(C)Oc2cc(Nc3c(F)cc([O-])cc3F)ccc2NC1=O ZINC001175097080 1034811828 /nfs/dbraw/zinc/81/18/28/1034811828.db2.gz OFDXSMVDQRNNBP-UHFFFAOYSA-N -1 3 320.295 3.524 20 0 DHADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c2ncccc12 ZINC001175097699 1034812504 /nfs/dbraw/zinc/81/25/04/1034812504.db2.gz UVCJJHYOKNYGHL-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM O=C1CCCc2ccc(Nc3c(F)cc([O-])cc3F)cc2N1 ZINC001175097677 1034812530 /nfs/dbraw/zinc/81/25/30/1034812530.db2.gz SYWGFUVPDNKIGR-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM O=C([O-])c1cc(Cl)ccc1CN1CCCC(F)(F)CC1 ZINC001142643446 1034861607 /nfs/dbraw/zinc/86/16/07/1034861607.db2.gz VGVNKILZRQBPOJ-UHFFFAOYSA-N -1 3 303.736 3.659 20 0 DHADHM O=C(NCC1(C(F)(F)F)CCCC1)c1cc([O-])ccc1Cl ZINC000629469986 1034907824 /nfs/dbraw/zinc/90/78/24/1034907824.db2.gz UJAYXZWZJAFHTK-UHFFFAOYSA-N -1 3 321.726 3.898 20 0 DHADHM [O-]c1ccc(F)c(Nc2csc(-c3ccncc3)n2)c1F ZINC001175265937 1034913371 /nfs/dbraw/zinc/91/33/71/1034913371.db2.gz MUJPYIJBIANNRS-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM CC(C)(C)c1cnn2cc(Nc3c(F)ccc([O-])c3F)cnc12 ZINC001175265849 1034914247 /nfs/dbraw/zinc/91/42/47/1034914247.db2.gz KTUBCZHQOUZMEW-UHFFFAOYSA-N -1 3 318.327 3.754 20 0 DHADHM Nc1c(F)c(F)c(Nc2c(F)ccc([O-])c2F)c(F)c1F ZINC001175268866 1034916414 /nfs/dbraw/zinc/91/64/14/1034916414.db2.gz ZZPJOHOOSRZQJN-UHFFFAOYSA-N -1 3 308.181 3.553 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428895 1034977478 /nfs/dbraw/zinc/97/74/78/1034977478.db2.gz PZLRSFSULPQBKC-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Clc1ccc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430424 1034980308 /nfs/dbraw/zinc/98/03/08/1034980308.db2.gz QBHOBYFYSAYWHA-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429986 1034980909 /nfs/dbraw/zinc/98/09/09/1034980909.db2.gz YZCBLSRFXHVOPH-UHFFFAOYSA-N -1 3 309.373 3.748 20 0 DHADHM Clc1cccc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429980 1034981394 /nfs/dbraw/zinc/98/13/94/1034981394.db2.gz YSAKEFUNEQGXNK-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM c1cncc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC001175430054 1034981411 /nfs/dbraw/zinc/98/14/11/1034981411.db2.gz CCTPSGZRHODMFQ-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM CN(CCOc1ccccc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142657249 1035001224 /nfs/dbraw/zinc/00/12/24/1035001224.db2.gz SBGXWCDYTQRHPL-UHFFFAOYSA-N -1 3 319.788 3.549 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc(CO)c1 ZINC001175518483 1035023681 /nfs/dbraw/zinc/02/36/81/1035023681.db2.gz LPOMOKMAKBAHPU-UHFFFAOYSA-N -1 3 312.138 3.530 20 0 DHADHM COc1cc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001175721897 1035091174 /nfs/dbraw/zinc/09/11/74/1035091174.db2.gz RWRSYWTWSKMUFO-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COC(=O)C1(c2ccc(Nc3cc([O-])c(F)cc3F)cc2)CC1 ZINC001175920338 1035163368 /nfs/dbraw/zinc/16/33/68/1035163368.db2.gz PTZXRNYEQJOLMY-UHFFFAOYSA-N -1 3 319.307 3.619 20 0 DHADHM Cc1nnc(-c2cccc(Nc3ncc(Cl)cc3[O-])c2)o1 ZINC001175989357 1035175298 /nfs/dbraw/zinc/17/52/98/1035175298.db2.gz IYBXXLXVOOXRCX-UHFFFAOYSA-N -1 3 302.721 3.543 20 0 DHADHM CC(=O)OCc1cccc(C)c1Nc1c(F)cc([O-])cc1F ZINC001212773129 1035210993 /nfs/dbraw/zinc/21/09/93/1035210993.db2.gz SLOLLLDGJOJPEF-UHFFFAOYSA-N -1 3 307.296 3.786 20 0 DHADHM CC(C)Oc1ccc(Nc2ccc(C(N)=O)c([O-])c2)c(Cl)c1 ZINC001176157840 1035220077 /nfs/dbraw/zinc/22/00/77/1035220077.db2.gz RAHXBHGODZIDTN-UHFFFAOYSA-N -1 3 320.776 3.675 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1ccc(O)cc1C(F)(F)F ZINC001176339076 1035243735 /nfs/dbraw/zinc/24/37/35/1035243735.db2.gz BIWOJLUBGAGCIB-UHFFFAOYSA-N -1 3 304.655 3.909 20 0 DHADHM COc1cc(Cl)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001176341834 1035244388 /nfs/dbraw/zinc/24/43/88/1035244388.db2.gz CUFNACGHTDQUHK-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM CCC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccn1 ZINC000668256240 1035284294 /nfs/dbraw/zinc/28/42/94/1035284294.db2.gz ULRQPFCRGGBGQV-HNNXBMFYSA-N -1 3 316.426 3.780 20 0 DHADHM [O-]c1c(F)cc(Nc2ccnn2Cc2ccccc2)cc1F ZINC001176705438 1035324739 /nfs/dbraw/zinc/32/47/39/1035324739.db2.gz DYTMJDSVQCLFMN-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000904036076 1035348163 /nfs/dbraw/zinc/34/81/63/1035348163.db2.gz WUKOAFJKZDDJIN-BXKDBHETSA-N -1 3 300.185 3.502 20 0 DHADHM CC(C)CCC[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000904037283 1035349275 /nfs/dbraw/zinc/34/92/75/1035349275.db2.gz XRECINFCXYENDO-CYBMUJFWSA-N -1 3 319.779 3.987 20 0 DHADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]Oc1ccccc1F ZINC001177109819 1035350111 /nfs/dbraw/zinc/35/01/11/1035350111.db2.gz RKQGSGSJADXHED-CYBMUJFWSA-N -1 3 317.360 3.513 20 0 DHADHM CCOc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904043599 1035351347 /nfs/dbraw/zinc/35/13/47/1035351347.db2.gz UWWJHTOKPBGYDU-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cnc(C3CC3)s2)c1 ZINC000904044539 1035352069 /nfs/dbraw/zinc/35/20/69/1035352069.db2.gz COGBXVIMUPUMTB-HNNXBMFYSA-N -1 3 316.426 3.635 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000668402692 1035416147 /nfs/dbraw/zinc/41/61/47/1035416147.db2.gz WCUCCKJEKJVLAB-UHFFFAOYSA-N -1 3 313.422 3.703 20 0 DHADHM [O-]c1ccc(Cc2nc(CCCc3ccccc3)no2)cc1F ZINC000904460187 1035417744 /nfs/dbraw/zinc/41/77/44/1035417744.db2.gz MLWXYOQARRQYCB-UHFFFAOYSA-N -1 3 312.344 3.680 20 0 DHADHM N[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCCCC1 ZINC000904690559 1035442007 /nfs/dbraw/zinc/44/20/07/1035442007.db2.gz SPJNZWSYVWSWBV-CQSZACIVSA-N -1 3 305.353 3.552 20 0 DHADHM [O-]c1cc(F)cc(CN2CC(Cc3ccccc3Cl)C2)c1 ZINC000485295167 1035527592 /nfs/dbraw/zinc/52/75/92/1035527592.db2.gz QEPXPPXRCHSYFE-UHFFFAOYSA-N -1 3 305.780 3.859 20 0 DHADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905718031 1035623676 /nfs/dbraw/zinc/62/36/76/1035623676.db2.gz BNGZYLMBFFXWAE-MRXNPFEDSA-N -1 3 318.804 3.920 20 0 DHADHM C[C@H](N[C@@H]1CC[C@H](C(F)(F)C(=O)[O-])C1)c1c(F)cccc1F ZINC000905726372 1035629923 /nfs/dbraw/zinc/62/99/23/1035629923.db2.gz BAVLKOOWMREEAG-LPEHRKFASA-N -1 3 319.298 3.504 20 0 DHADHM CCCOc1cc(C)ccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000195699567 1035638356 /nfs/dbraw/zinc/63/83/56/1035638356.db2.gz RNFMJXJDOXNHCV-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM O=C(NOC1CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000775600274 1035672097 /nfs/dbraw/zinc/67/20/97/1035672097.db2.gz KEOGVLXNECDHTL-UHFFFAOYSA-N -1 3 313.353 3.789 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2cscn2)cc(Cl)c1[O-] ZINC000668501667 1035688803 /nfs/dbraw/zinc/68/88/03/1035688803.db2.gz IKWYVWGELUZYBH-VIFPVBQESA-N -1 3 312.822 3.752 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)NCCc1ccc2ccccc2c1 ZINC001193937304 1035764518 /nfs/dbraw/zinc/76/45/18/1035764518.db2.gz FIGFGLOGOYRDKO-UHFFFAOYSA-N -1 3 321.376 3.532 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC001193938559 1035766250 /nfs/dbraw/zinc/76/62/50/1035766250.db2.gz QBDYZFWOTWHCMI-UHFFFAOYSA-N -1 3 313.397 3.634 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC001180936248 1035789008 /nfs/dbraw/zinc/78/90/08/1035789008.db2.gz DUAICJRRFDXFMU-WMZOPIPTSA-N -1 3 317.429 3.689 20 0 DHADHM O=S(=O)([N-]CCC[C@@H]1C=CCC1)c1cc(F)ccc1Cl ZINC001194337223 1035915038 /nfs/dbraw/zinc/91/50/38/1035915038.db2.gz KJMNRKFKROJZDX-LLVKDONJSA-N -1 3 317.813 3.504 20 0 DHADHM CCc1ccc2c(c1)CCN(C(=O)c1cccc(CC)c1[O-])C2 ZINC001181489181 1035924546 /nfs/dbraw/zinc/92/45/46/1035924546.db2.gz ZTFCAHAZYZTFIJ-UHFFFAOYSA-N -1 3 309.409 3.716 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2nsc3ccccc32)s1 ZINC000906368662 1035940185 /nfs/dbraw/zinc/94/01/85/1035940185.db2.gz VFOMFFDBDLAIIP-UHFFFAOYSA-N -1 3 318.427 3.743 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1C1CC1 ZINC001194602505 1035967309 /nfs/dbraw/zinc/96/73/09/1035967309.db2.gz GWVDXRZAQCWNLD-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC001194601943 1035968550 /nfs/dbraw/zinc/96/85/50/1035968550.db2.gz AIBPYCAWPAZZON-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)c1C ZINC001194835171 1036048755 /nfs/dbraw/zinc/04/87/55/1036048755.db2.gz GIJZCYAOZNVCIN-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC(C)c1nc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc2o1 ZINC000775624386 1036087267 /nfs/dbraw/zinc/08/72/67/1036087267.db2.gz CBMJPCYMZJOFBS-CQSZACIVSA-N -1 3 319.361 3.531 20 0 DHADHM CC(C)c1nc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc2o1 ZINC000775624386 1036087288 /nfs/dbraw/zinc/08/72/88/1036087288.db2.gz CBMJPCYMZJOFBS-CQSZACIVSA-N -1 3 319.361 3.531 20 0 DHADHM CCCC(C)(C)CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000486303624 1036215245 /nfs/dbraw/zinc/21/52/45/1036215245.db2.gz KDECNUSCOUWEPA-UHFFFAOYSA-N -1 3 317.389 3.504 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229339020 1036263697 /nfs/dbraw/zinc/26/36/97/1036263697.db2.gz AAJFEVYPMWQCJU-UHFFFAOYSA-N -1 3 307.390 3.806 20 0 DHADHM CCOC([O-])=NC(=S)Nc1ccccc1OC(CC)CC ZINC001195492196 1036267649 /nfs/dbraw/zinc/26/76/49/1036267649.db2.gz GEBXWPGRXMGOQV-UHFFFAOYSA-N -1 3 310.419 3.697 20 0 DHADHM CCOC(=O)N=C([S-])Nc1ccccc1OC(CC)CC ZINC001195492196 1036267667 /nfs/dbraw/zinc/26/76/67/1036267667.db2.gz GEBXWPGRXMGOQV-UHFFFAOYSA-N -1 3 310.419 3.697 20 0 DHADHM CCOC(=O)[N-]C(=S)Nc1ccccc1OC(CC)CC ZINC001195492196 1036267683 /nfs/dbraw/zinc/26/76/83/1036267683.db2.gz GEBXWPGRXMGOQV-UHFFFAOYSA-N -1 3 310.419 3.697 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)c3ccsc3)cc(=O)oc12 ZINC001195670116 1036303780 /nfs/dbraw/zinc/30/37/80/1036303780.db2.gz NVMZMPGJZCCRBB-UHFFFAOYSA-N -1 3 301.367 3.505 20 0 DHADHM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC001182540576 1036383701 /nfs/dbraw/zinc/38/37/01/1036383701.db2.gz HZEJKGJHBMYGPG-CHWSQXEVSA-N -1 3 305.418 3.680 20 0 DHADHM Cc1c(C)c(C)c(CS(=O)(=O)c2cccc([O-])c2)c(C)c1C ZINC000541762347 1036418423 /nfs/dbraw/zinc/41/84/23/1036418423.db2.gz MVXWSPMIIJFPGQ-UHFFFAOYSA-N -1 3 318.438 3.908 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](F)C2)c([O-])c1 ZINC001183763045 1036663200 /nfs/dbraw/zinc/66/32/00/1036663200.db2.gz HIXGHHNUQGKDGR-CHWSQXEVSA-N -1 3 309.381 3.582 20 0 DHADHM CCOc1ccc(C)c(C(=O)Nc2c([O-])cccc2C(C)=O)c1 ZINC001197141394 1036685433 /nfs/dbraw/zinc/68/54/33/1036685433.db2.gz OUFIGSPDEDJYRE-UHFFFAOYSA-N -1 3 313.353 3.554 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C(F)F)c1Cl ZINC000775760404 1036686611 /nfs/dbraw/zinc/68/66/11/1036686611.db2.gz MNCOXWXLXTWVEK-JTQLQIEISA-N -1 3 320.723 3.857 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C(F)F)c1Cl ZINC000775760404 1036686616 /nfs/dbraw/zinc/68/66/16/1036686616.db2.gz MNCOXWXLXTWVEK-JTQLQIEISA-N -1 3 320.723 3.857 20 0 DHADHM CN(Cn1c(Cc2cccs2)n[n-]c1=S)CC(C)(C)C ZINC000151941327 1036742007 /nfs/dbraw/zinc/74/20/07/1036742007.db2.gz MAIVIRVHUCGDNI-UHFFFAOYSA-N -1 3 310.492 3.528 20 0 DHADHM O=C(/C=C/c1cscn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492299599 1036821553 /nfs/dbraw/zinc/82/15/53/1036821553.db2.gz NGQHPVZSCDWOCG-DUXPYHPUSA-N -1 3 314.288 3.519 20 0 DHADHM COc1cc(C(=O)O[C@@H](C)c2cccc(C)c2)cc(OC)c1[O-] ZINC000784359648 1036844692 /nfs/dbraw/zinc/84/46/92/1036844692.db2.gz CTECPHNTMZZHFN-LBPRGKRZSA-N -1 3 316.353 3.636 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc(C2CCC2)n1 ZINC001197873597 1036888493 /nfs/dbraw/zinc/88/84/93/1036888493.db2.gz RKPVSLATKSTNSR-UHFFFAOYSA-N -1 3 302.761 3.960 20 0 DHADHM CC(C)(C)SCC(=O)Nc1cc(Br)ccc1[O-] ZINC000176436562 1036907848 /nfs/dbraw/zinc/90/78/48/1036907848.db2.gz MXEIRZKPVDTFRA-UHFFFAOYSA-N -1 3 318.236 3.625 20 0 DHADHM COc1ccc(C2=CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000053770357 1036943932 /nfs/dbraw/zinc/94/39/32/1036943932.db2.gz QAAZSOZZGDQVAR-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM Cc1sc(Cl)nc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000762842258 1036965286 /nfs/dbraw/zinc/96/52/86/1036965286.db2.gz DOPCZPKCJBAHON-UHFFFAOYSA-N -1 3 316.839 3.506 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccccc1C ZINC001198431931 1037018266 /nfs/dbraw/zinc/01/82/66/1037018266.db2.gz XBMBIDRIUPQTEI-UHFFFAOYSA-N -1 3 300.383 3.712 20 0 DHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198859596 1037148105 /nfs/dbraw/zinc/14/81/05/1037148105.db2.gz XFOZIXKEOQEQNR-UHFFFAOYSA-N -1 3 323.320 3.820 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1COc2ccc(Cl)cc21 ZINC000488832757 1037160197 /nfs/dbraw/zinc/16/01/97/1037160197.db2.gz SMLSPNJZNABMJJ-LLVKDONJSA-N -1 3 324.163 3.814 20 0 DHADHM Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])ccc1F ZINC000775933051 1037195776 /nfs/dbraw/zinc/19/57/76/1037195776.db2.gz FFJUSKNDYPATKR-UHFFFAOYSA-N -1 3 322.719 3.533 20 0 DHADHM CCCCc1noc([C@H](C)OC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775935951 1037196106 /nfs/dbraw/zinc/19/61/06/1037196106.db2.gz RLKAOMYLWXEKDF-VIFPVBQESA-N -1 3 324.764 3.689 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2c(OC(F)F)ccc3ccccc32)S1 ZINC000915840015 1037261719 /nfs/dbraw/zinc/26/17/19/1037261719.db2.gz KUTVLRJUCMQLGI-GHXNOFRVSA-N -1 3 321.304 3.765 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)CCc1ccccc1 ZINC001186020117 1037293239 /nfs/dbraw/zinc/29/32/39/1037293239.db2.gz AMUCFXDCLWMRGF-CYBMUJFWSA-N -1 3 311.381 3.802 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC001186287380 1037356370 /nfs/dbraw/zinc/35/63/70/1037356370.db2.gz YXDMSAVEKUDHIO-CQSZACIVSA-N -1 3 317.401 3.602 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H]1C1CCC1 ZINC000646798082 1037376820 /nfs/dbraw/zinc/37/68/20/1037376820.db2.gz BIVSTMJJUIIFEA-AWEZNQCLSA-N -1 3 313.319 3.816 20 0 DHADHM CC(=O)c1cccc(NC(=O)N[C@@H](C)C2CCCCC2)c1[O-] ZINC001186394682 1037386355 /nfs/dbraw/zinc/38/63/55/1037386355.db2.gz LEDHRYZDUZCCKB-NSHDSACASA-N -1 3 304.390 3.685 20 0 DHADHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186454589 1037403454 /nfs/dbraw/zinc/40/34/54/1037403454.db2.gz HAAAFASULNXACX-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM O=C(Nc1ncc([O-])cc1Cl)N[C@H]1CCCc2ccccc21 ZINC001186423430 1037405995 /nfs/dbraw/zinc/40/59/95/1037405995.db2.gz DBYKRZVUCNBORE-AWEZNQCLSA-N -1 3 317.776 3.640 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2csc(CCC(C)C)n2)n1 ZINC000763210762 1037483783 /nfs/dbraw/zinc/48/37/83/1037483783.db2.gz OFRSRACNSWGCRU-UHFFFAOYSA-N -1 3 323.487 3.969 20 0 DHADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2ncc(C(C)(C)C)o2)n1 ZINC000763219442 1037509663 /nfs/dbraw/zinc/50/96/63/1037509663.db2.gz YZWMUPPCQQNYCW-SNVBAGLBSA-N -1 3 307.419 3.771 20 0 DHADHM CCc1ccc(O)c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176504951 1037666974 /nfs/dbraw/zinc/66/69/74/1037666974.db2.gz QKXIEGALZMNHDL-MDZDMXLPSA-N -1 3 321.373 3.506 20 0 DHADHM CCc1ccccc1NC(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001187612496 1037672164 /nfs/dbraw/zinc/67/21/64/1037672164.db2.gz DWTTYCJKVWWISG-UHFFFAOYSA-N -1 3 308.341 3.943 20 0 DHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1c[nH]cc1C ZINC001187792350 1037725627 /nfs/dbraw/zinc/72/56/27/1037725627.db2.gz DHQHSXYTKMZLKY-UHFFFAOYSA-N -1 3 307.444 3.723 20 0 DHADHM COc1ccc(CSCc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000763389184 1037811824 /nfs/dbraw/zinc/81/18/24/1037811824.db2.gz JRGNQUPTTWNAIO-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)ccc(F)c1F ZINC000185621832 1037821394 /nfs/dbraw/zinc/82/13/94/1037821394.db2.gz UBKHBQNGOZRSOQ-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM COc1ccc(OC(C)C)c(NCc2cc([O-])cc(F)c2)c1 ZINC000185595146 1037821663 /nfs/dbraw/zinc/82/16/63/1037821663.db2.gz QNCNSTSNQZDZQX-UHFFFAOYSA-N -1 3 305.349 3.939 20 0 DHADHM O=S(=O)([N-]c1ccccc1OC1CCCCC1)C1CCC1 ZINC001188138196 1037824124 /nfs/dbraw/zinc/82/41/24/1037824124.db2.gz TXNINXVIDFLULU-UHFFFAOYSA-N -1 3 309.431 3.692 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000123721493 1037858956 /nfs/dbraw/zinc/85/89/56/1037858956.db2.gz YODKMBBOUIAFIM-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])c1 ZINC000123716454 1037860260 /nfs/dbraw/zinc/86/02/60/1037860260.db2.gz HKOUZLLMJPQCIB-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)c(C)c1C ZINC000005693873 1037889535 /nfs/dbraw/zinc/88/95/35/1037889535.db2.gz GQKODVXNRWMWQI-UHFFFAOYSA-N -1 3 312.365 3.666 20 0 DHADHM CCc1cc2c([n-]c(COc3ccc(Cl)cc3)nc2=O)s1 ZINC000063579597 1037903085 /nfs/dbraw/zinc/90/30/85/1037903085.db2.gz WOMUFYJKBOUAFF-UHFFFAOYSA-N -1 3 320.801 3.779 20 0 DHADHM COc1ccc(NC(=O)Nc2cc([O-])cc(Cl)c2)c(OC)c1 ZINC001188550485 1037927328 /nfs/dbraw/zinc/92/73/28/1037927328.db2.gz TZBRBSISOYOBFG-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(F)cc1F ZINC001202023444 1037970715 /nfs/dbraw/zinc/97/07/15/1037970715.db2.gz ABCQQZWTEJEEIU-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM COc1cc(C)ccc1OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000916855637 1037999259 /nfs/dbraw/zinc/99/92/59/1037999259.db2.gz CURSPUWMSKGKER-UHFFFAOYSA-N -1 3 312.325 3.514 20 0 DHADHM COc1cc(C)ccc1OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000916855637 1037999274 /nfs/dbraw/zinc/99/92/74/1037999274.db2.gz CURSPUWMSKGKER-UHFFFAOYSA-N -1 3 312.325 3.514 20 0 DHADHM O=S(=O)(CC1CC1)[N-]c1ccccc1Sc1ccccc1 ZINC001188968755 1038025585 /nfs/dbraw/zinc/02/55/85/1038025585.db2.gz GLCXYSUZBRGVIF-UHFFFAOYSA-N -1 3 319.451 3.990 20 0 DHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000126143740 1038039137 /nfs/dbraw/zinc/03/91/37/1038039137.db2.gz WRVKLQMPCWJYPL-UHFFFAOYSA-N -1 3 321.373 3.528 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001189021029 1038046108 /nfs/dbraw/zinc/04/61/08/1038046108.db2.gz QRDCEHFHNXTNJD-UHFFFAOYSA-N -1 3 320.348 3.842 20 0 DHADHM COc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1Cl ZINC000055311354 1038099723 /nfs/dbraw/zinc/09/97/23/1038099723.db2.gz STIXFWHLYVHOJD-UHFFFAOYSA-N -1 3 319.788 3.529 20 0 DHADHM CCc1ccc(-c2nc(CN[C@@H](C)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000571217463 1038111427 /nfs/dbraw/zinc/11/14/27/1038111427.db2.gz GTMRPTDTKFXTTJ-RYUDHWBXSA-N -1 3 318.442 3.571 20 0 DHADHM CSc1nc(NC(=O)CC=Cc2ccc(C(C)C)cc2)n[n-]1 ZINC000494504326 1038114475 /nfs/dbraw/zinc/11/44/75/1038114475.db2.gz ALKGERMOJTUXNI-PLNGDYQASA-N -1 3 316.430 3.692 20 0 DHADHM Cc1ccc(-c2cc([N-]C(=O)Nc3nccs3)on2)cc1 ZINC001189344304 1038134165 /nfs/dbraw/zinc/13/41/65/1038134165.db2.gz MEHVSXBDBNWWCX-UHFFFAOYSA-N -1 3 300.343 3.751 20 0 DHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc2c(c1)N=NC2 ZINC001189469197 1038151979 /nfs/dbraw/zinc/15/19/79/1038151979.db2.gz CCVGKFIVZPBBJN-UHFFFAOYSA-N -1 3 323.324 3.504 20 0 DHADHM COc1cccc(C(=O)Nc2sc(C)nc2CC(C)C)c1[O-] ZINC000127845364 1038216565 /nfs/dbraw/zinc/21/65/65/1038216565.db2.gz XXAPHSDNAPLVGN-UHFFFAOYSA-N -1 3 320.414 3.617 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)Nc1nc(C)ccc1[O-] ZINC001190336734 1038300613 /nfs/dbraw/zinc/30/06/13/1038300613.db2.gz RSIBOFSELRCWKY-UHFFFAOYSA-N -1 3 324.340 3.703 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190500536 1038329221 /nfs/dbraw/zinc/32/92/21/1038329221.db2.gz UPEBEVQJZYBLEA-UHFFFAOYSA-N -1 3 317.410 3.764 20 0 DHADHM Cc1cc(C)cc([C@@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)c1 ZINC000572848752 1038512524 /nfs/dbraw/zinc/51/25/24/1038512524.db2.gz YGDCZTDNYNPPHX-RHSMWYFYSA-N -1 3 315.438 3.980 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccncc1-c1ccccc1 ZINC001191900349 1038563581 /nfs/dbraw/zinc/56/35/81/1038563581.db2.gz KXTVXEHDPRUQTH-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC001191937833 1038567270 /nfs/dbraw/zinc/56/72/70/1038567270.db2.gz GEPGTXXALMMCLM-UHFFFAOYSA-N -1 3 305.381 3.876 20 0 DHADHM CCCc1cc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)ccc1F ZINC001191984564 1038571370 /nfs/dbraw/zinc/57/13/70/1038571370.db2.gz ZFKYHLYMZTWDCM-UHFFFAOYSA-N -1 3 313.332 3.612 20 0 DHADHM Cc1cc(NC(=O)[N-]c2cc(C(F)(F)F)no2)ccc1F ZINC001192346031 1038644859 /nfs/dbraw/zinc/64/48/59/1038644859.db2.gz BNKLBLVEYXDQAT-UHFFFAOYSA-N -1 3 303.215 3.785 20 0 DHADHM CC(C)(O)c1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001192579893 1038681102 /nfs/dbraw/zinc/68/11/02/1038681102.db2.gz UPBWTSGGBNBTBH-UHFFFAOYSA-N -1 3 305.761 3.525 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C ZINC000590696285 1038693223 /nfs/dbraw/zinc/69/32/23/1038693223.db2.gz PEXGGFGHBFAMPR-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc[nH]1 ZINC000760957140 1039153984 /nfs/dbraw/zinc/15/39/84/1039153984.db2.gz HHBHKLMGGHTSCI-CQSZACIVSA-N -1 3 320.392 3.802 20 0 DHADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000606909382 1040033669 /nfs/dbraw/zinc/03/36/69/1040033669.db2.gz XRIRCTDFMNLANI-SECBINFHSA-N -1 3 310.246 3.564 20 0 DHADHM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001212176965 1040057760 /nfs/dbraw/zinc/05/77/60/1040057760.db2.gz JUMVBHSRQVZRKH-JTQLQIEISA-N -1 3 321.895 3.896 20 0 DHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000607627092 1040224102 /nfs/dbraw/zinc/22/41/02/1040224102.db2.gz COENMPIOZYVOMY-ZJUUUORDSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1C ZINC000608004219 1040349859 /nfs/dbraw/zinc/34/98/59/1040349859.db2.gz CUKFTSHUQWDQFL-UHFFFAOYSA-N -1 3 323.389 3.566 20 0 DHADHM O=c1[n-]c(CN2C3CCCC2CCC3)nc2c3ccccc3oc21 ZINC000608564805 1040553960 /nfs/dbraw/zinc/55/39/60/1040553960.db2.gz BRYBNVVFUQFVMD-UHFFFAOYSA-N -1 3 323.396 3.989 20 0 DHADHM O=C(OCc1ccccc1Oc1cccnc1)c1ccc([O-])cc1 ZINC000060333493 1040570728 /nfs/dbraw/zinc/57/07/28/1040570728.db2.gz KCVZMEMPPBSGMR-UHFFFAOYSA-N -1 3 321.332 3.937 20 0 DHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000534210088 1040747159 /nfs/dbraw/zinc/74/71/59/1040747159.db2.gz JNNPHMPBMXQSGY-DVOMOZLQSA-N -1 3 323.408 3.947 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417558403 334974859 /nfs/dbraw/zinc/97/48/59/334974859.db2.gz FJFNCPSWMBZOED-YGRLFVJLSA-N -1 3 309.818 3.953 20 0 DHADHM O=C([O-])[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000003749249 181044777 /nfs/dbraw/zinc/04/47/77/181044777.db2.gz MGKKCIYYJMVVMC-INIZCTEOSA-N -1 3 311.381 3.776 20 0 DHADHM Cc1ccc(NC(=O)CCSc2ccc(F)cc2)c([O-])c1 ZINC000006453940 181341968 /nfs/dbraw/zinc/34/19/68/181341968.db2.gz LARWYUWADSOMCG-UHFFFAOYSA-N -1 3 305.374 3.961 20 0 DHADHM C[C@@H](NCc1ccc(-c2ccccc2)cc1F)[C@H](C)C(=O)[O-] ZINC000417600638 335003005 /nfs/dbraw/zinc/00/30/05/335003005.db2.gz DMCJQMSRADVOCT-QWHCGFSZSA-N -1 3 301.361 3.692 20 0 DHADHM CCOc1cccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417603342 335003461 /nfs/dbraw/zinc/00/34/61/335003461.db2.gz QYECMFVERSSZKR-SFHVURJKSA-N -1 3 313.397 3.781 20 0 DHADHM CCOc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417604205 335004223 /nfs/dbraw/zinc/00/42/23/335004223.db2.gz UCRBNDIJXNEPDA-SFHVURJKSA-N -1 3 313.397 3.781 20 0 DHADHM CSc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417612534 335011448 /nfs/dbraw/zinc/01/14/48/335011448.db2.gz BZHIXTSJXFEXKU-IAGOWNOFSA-N -1 3 313.422 3.811 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)o1 ZINC000417616315 335009356 /nfs/dbraw/zinc/00/93/56/335009356.db2.gz HDLFMKOKTHKDEX-QWHCGFSZSA-N -1 3 315.344 3.513 20 0 DHADHM Cn1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c1C1CCC1 ZINC000343305381 335015678 /nfs/dbraw/zinc/01/56/78/335015678.db2.gz XHAIXLBPHPJRHM-UHFFFAOYSA-N -1 3 304.777 3.904 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000417631030 335019135 /nfs/dbraw/zinc/01/91/35/335019135.db2.gz WYCCGICKXHQUST-ZDUSSCGKSA-N -1 3 304.415 3.543 20 0 DHADHM C[C@H](CC(C)(C)NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000417631332 335019847 /nfs/dbraw/zinc/01/98/47/335019847.db2.gz DRDVWXZQMDVSEA-GFCCVEGCSA-N -1 3 318.442 3.789 20 0 DHADHM CSc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636739 335021515 /nfs/dbraw/zinc/02/15/15/335021515.db2.gz YCYHGOFLIOGWAK-ZIAGYGMSSA-N -1 3 319.451 3.873 20 0 DHADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000022842763 182336940 /nfs/dbraw/zinc/33/69/40/182336940.db2.gz 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333284715 /nfs/dbraw/zinc/28/47/15/333284715.db2.gz AAXMFQCRJXGJOV-CQSZACIVSA-N -1 3 324.384 3.896 20 0 DHADHM CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000497734321 333284716 /nfs/dbraw/zinc/28/47/16/333284716.db2.gz AAXMFQCRJXGJOV-CQSZACIVSA-N -1 3 324.384 3.896 20 0 DHADHM CCc1cccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1[O-] ZINC000531197664 333330498 /nfs/dbraw/zinc/33/04/98/333330498.db2.gz TXPNRRPPTBADLO-QGZVFWFLSA-N -1 3 312.413 3.519 20 0 DHADHM Cc1cc(F)cc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531254233 333338184 /nfs/dbraw/zinc/33/81/84/333338184.db2.gz UWPYELPLOKDIOD-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000531372981 333346800 /nfs/dbraw/zinc/34/68/00/333346800.db2.gz FWYVDLDIXGVHPS-UHFFFAOYSA-N -1 3 303.308 3.803 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(Oc2ccccc2)c1 ZINC000531374049 333346971 /nfs/dbraw/zinc/34/69/71/333346971.db2.gz YSVHCYXYQDRDKX-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM 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CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000520605934 335994172 /nfs/dbraw/zinc/99/41/72/335994172.db2.gz HELBCFCABMFKMR-UHFFFAOYSA-N -1 3 311.385 3.507 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000351326066 336027807 /nfs/dbraw/zinc/02/78/07/336027807.db2.gz JIYCQGIJELXXRU-LBPRGKRZSA-N -1 3 304.415 3.505 20 0 DHADHM CCS[C@H]1CC[C@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000351758848 336065648 /nfs/dbraw/zinc/06/56/48/336065648.db2.gz JXQHPIXCZFKSLZ-QWRGUYRKSA-N -1 3 301.402 3.776 20 0 DHADHM Cc1cccc(OCCN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000351765637 336065816 /nfs/dbraw/zinc/06/58/16/336065816.db2.gz UUGFNZUMSQWLNJ-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192525353 336070624 /nfs/dbraw/zinc/07/06/24/336070624.db2.gz RUUUIMMQGBWXKE-SNVBAGLBSA-N -1 3 311.838 3.789 20 0 DHADHM COc1ccc(NC(=O)c2csc3c2CCCC3)c([O-])c1 ZINC000332285167 336166635 /nfs/dbraw/zinc/16/66/35/336166635.db2.gz IJMSBCJSOSWNOG-UHFFFAOYSA-N -1 3 303.383 3.593 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccn(C2CCCCC2)n1 ZINC000332632912 336177147 /nfs/dbraw/zinc/17/71/47/336177147.db2.gz FUYABKXYXUNMAE-UHFFFAOYSA-N -1 3 319.792 4.000 20 0 DHADHM Cc1nn(Cc2ccccc2)c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352039264 336191163 /nfs/dbraw/zinc/19/11/63/336191163.db2.gz FJZBZMBBWRBNEP-MDZDMXLPSA-N -1 3 320.396 3.523 20 0 DHADHM O=c1[n-]c(CN2CCC[C@@H]3CCC[C@H]32)nc2c3ccccc3oc21 ZINC000333430693 336203509 /nfs/dbraw/zinc/20/35/09/336203509.db2.gz HLPIGUNSDRDLOG-GXTWGEPZSA-N -1 3 323.396 3.846 20 0 DHADHM Cc1ccc2ccccc2c1CN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333742994 336209130 /nfs/dbraw/zinc/20/91/30/336209130.db2.gz WFGFDGZHCMAHCW-QGZVFWFLSA-N -1 3 322.412 3.699 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000352304270 336211208 /nfs/dbraw/zinc/21/12/08/336211208.db2.gz GCWKAIHTSAWRIK-UHFFFAOYSA-N -1 3 320.352 3.884 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000352304270 336211209 /nfs/dbraw/zinc/21/12/09/336211209.db2.gz GCWKAIHTSAWRIK-UHFFFAOYSA-N -1 3 320.352 3.884 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C2=CCCC2)cc1 ZINC000352304270 336211210 /nfs/dbraw/zinc/21/12/10/336211210.db2.gz GCWKAIHTSAWRIK-UHFFFAOYSA-N -1 3 320.352 3.884 20 0 DHADHM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000352337021 336213065 /nfs/dbraw/zinc/21/30/65/336213065.db2.gz CLOUIQKMBNKMLB-INIZCTEOSA-N -1 3 319.763 3.992 20 0 DHADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000042258736 336238086 /nfs/dbraw/zinc/23/80/86/336238086.db2.gz HQOYUIUKNQNHSG-SNVBAGLBSA-N -1 3 320.186 3.646 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC(Cc3cccnc3)CC2)c1F ZINC000352821321 336256779 /nfs/dbraw/zinc/25/67/79/336256779.db2.gz AZLJRRRIMMAZGN-UHFFFAOYSA-N -1 3 318.367 3.520 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3C)[n-]2)o1 ZINC000192820254 336264184 /nfs/dbraw/zinc/26/41/84/336264184.db2.gz JDLFJPFGLAGSSZ-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(Cl)c3C)n2)o1 ZINC000192820254 336264185 /nfs/dbraw/zinc/26/41/85/336264185.db2.gz JDLFJPFGLAGSSZ-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3C)n[n-]2)o1 ZINC000192820254 336264186 /nfs/dbraw/zinc/26/41/86/336264186.db2.gz JDLFJPFGLAGSSZ-UHFFFAOYSA-N -1 3 316.748 3.587 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1[O-] ZINC000216587412 336273606 /nfs/dbraw/zinc/27/36/06/336273606.db2.gz NNTJWPZPYHZQTM-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCCCCC3)nc2)n1 ZINC000301180380 336293600 /nfs/dbraw/zinc/29/36/00/336293600.db2.gz OPVUWMODMVMNMK-UHFFFAOYSA-N -1 3 312.417 3.577 20 0 DHADHM CC(C)c1noc([N-]Cc2csc(-c3ccccc3)n2)n1 ZINC000301502132 336310803 /nfs/dbraw/zinc/31/08/03/336310803.db2.gz FLNVVRPWNXAPGL-UHFFFAOYSA-N -1 3 300.387 3.929 20 0 DHADHM CCc1nc2sccc2c(NCc2ccc([O-])c(F)c2)n1 ZINC000301822767 336332353 /nfs/dbraw/zinc/33/23/53/336332353.db2.gz CDMKYBYAFWTCLC-UHFFFAOYSA-N -1 3 303.362 3.711 20 0 DHADHM Cc1ccc(-c2noc([N-][C@H](CCCO)c3ccccc3)n2)cc1 ZINC000302033502 336344443 /nfs/dbraw/zinc/34/44/43/336344443.db2.gz JDCKIHHDYIQCKS-QGZVFWFLSA-N -1 3 323.396 3.971 20 0 DHADHM C[C@@H](Nc1nc2nncc-2c(O)[n-]1)c1cc(Cl)ccc1Cl ZINC000302459428 336359169 /nfs/dbraw/zinc/35/91/69/336359169.db2.gz UESBFEAQLSMJRN-ZCFIWIBFSA-N -1 3 324.171 3.538 20 0 DHADHM O=C(Nc1ccccc1[O-])C1(CCOCc2ccccc2)CC1 ZINC000352984989 336381158 /nfs/dbraw/zinc/38/11/58/336381158.db2.gz DLHKJECAOWWHGD-UHFFFAOYSA-N -1 3 311.381 3.718 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)ccc1[O-] ZINC000354450865 336471098 /nfs/dbraw/zinc/47/10/98/336471098.db2.gz CMIGHWXSWPOEKJ-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM COc1ccc2cc(CN(C)C(=O)c3cccc([O-])c3)ccc2c1 ZINC000355400852 336507306 /nfs/dbraw/zinc/50/73/06/336507306.db2.gz MZINKFHBELBQLQ-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cn2cc(C)nc2s1 ZINC000355402598 336507378 /nfs/dbraw/zinc/50/73/78/336507378.db2.gz RHGSPQXKUBPMKH-UHFFFAOYSA-N -1 3 303.412 3.678 20 0 DHADHM C[C@H]1c2cccn2CCN1Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000356084726 336534965 /nfs/dbraw/zinc/53/49/65/336534965.db2.gz LLJSEMLXQWVGGU-NSHDSACASA-N -1 3 310.319 3.789 20 0 DHADHM C[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357246721 336577978 /nfs/dbraw/zinc/57/79/78/336577978.db2.gz MNUSDKDHJMZNBV-SNVBAGLBSA-N -1 3 321.829 3.796 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000357306182 336580015 /nfs/dbraw/zinc/58/00/15/336580015.db2.gz OKDCFKACELXKHO-IRXDYDNUSA-N -1 3 315.413 3.536 20 0 DHADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc([O-])ccc1Cl ZINC000358125674 336612354 /nfs/dbraw/zinc/61/23/54/336612354.db2.gz IJFXEKSJQIPVNO-UHFFFAOYSA-N -1 3 302.761 3.572 20 0 DHADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)c(F)cc1F ZINC000360940641 336728526 /nfs/dbraw/zinc/72/85/26/336728526.db2.gz HGHLSVLEMOUCSX-UHFFFAOYSA-N -1 3 321.308 3.637 20 0 DHADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1Oc1ccncc1 ZINC000115707863 336827115 /nfs/dbraw/zinc/82/71/15/336827115.db2.gz NDBOEOREOQGPJJ-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM O=C(N[C@H]1CCC[C@H]1c1ccc(Cl)cc1)c1csc(=O)[n-]1 ZINC000369092305 336858452 /nfs/dbraw/zinc/85/84/52/336858452.db2.gz BCFNRXDIDOBZTI-RYUDHWBXSA-N -1 3 322.817 3.568 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000370534899 336886993 /nfs/dbraw/zinc/88/69/93/336886993.db2.gz HOLCYONFUUPCRR-GFCCVEGCSA-N -1 3 313.401 3.510 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000582306124 336906822 /nfs/dbraw/zinc/90/68/22/336906822.db2.gz BVXNSTCDILLJKJ-ZFWWWQNUSA-N -1 3 309.356 3.603 20 0 DHADHM CCOc1cc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)ccc1[O-] ZINC000373216019 336953211 /nfs/dbraw/zinc/95/32/11/336953211.db2.gz MBDWGULIGZXUCU-VXGBXAGGSA-N -1 3 312.325 3.705 20 0 DHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([O-])c2)c1C(C)C ZINC000122685767 337018395 /nfs/dbraw/zinc/01/83/95/337018395.db2.gz UKLXNHHURWLYIJ-UHFFFAOYSA-N -1 3 300.358 3.607 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000025528531 337033216 /nfs/dbraw/zinc/03/32/16/337033216.db2.gz ALWKQCKFAKFBQU-UHFFFAOYSA-N -1 3 324.355 3.520 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000376847915 337042591 /nfs/dbraw/zinc/04/25/91/337042591.db2.gz YPRLWDMPSHYUAI-UHFFFAOYSA-N -1 3 311.356 3.851 20 0 DHADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000377189945 337048416 /nfs/dbraw/zinc/04/84/16/337048416.db2.gz SDOPOLFVOCDQJM-ZDUSSCGKSA-N -1 3 316.426 3.682 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1ocnc1C1CC1 ZINC000377488917 337053491 /nfs/dbraw/zinc/05/34/91/337053491.db2.gz INVGCTWQPFJWPR-UHFFFAOYSA-N -1 3 313.288 3.598 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc([O-])c2F)o1 ZINC000378300386 337069552 /nfs/dbraw/zinc/06/95/52/337069552.db2.gz XIENMNVATPFMAT-NOOOWODRSA-N -1 3 315.344 3.990 20 0 DHADHM Cc1cnc([C@H]2CCCCN2C(=O)c2cccc([O-])c2)s1 ZINC000378565023 337075817 /nfs/dbraw/zinc/07/58/17/337075817.db2.gz JAZCLJWLEQNWHT-CQSZACIVSA-N -1 3 302.399 3.525 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1cccc(Cl)c1 ZINC000193801875 337080240 /nfs/dbraw/zinc/08/02/40/337080240.db2.gz FWOQQZBZWFFRTM-HNNXBMFYSA-N -1 3 317.772 3.729 20 0 DHADHM CCc1cccc(C(=O)Nc2cnn(C3CCCC3)c2C)c1[O-] ZINC000582465540 337093265 /nfs/dbraw/zinc/09/32/65/337093265.db2.gz MFMKNMUIXAJLKG-UHFFFAOYSA-N -1 3 313.401 3.827 20 0 DHADHM Cc1cccc(C(=O)N2CCC(OCC3CCCC3)CC2)c1[O-] ZINC000175604841 337148418 /nfs/dbraw/zinc/14/84/18/337148418.db2.gz PGCFPPUQZXYSEX-UHFFFAOYSA-N -1 3 317.429 3.512 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)cs2)s1 ZINC000176627133 337152346 /nfs/dbraw/zinc/15/23/46/337152346.db2.gz UJDAJBXCGJLFII-UHFFFAOYSA-N -1 3 311.432 3.764 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000179563301 337170337 /nfs/dbraw/zinc/17/03/37/337170337.db2.gz ZBJAOABPWUUDTA-UHFFFAOYSA-N -1 3 320.348 3.512 20 0 DHADHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc([O-])c1 ZINC000181956465 337185400 /nfs/dbraw/zinc/18/54/00/337185400.db2.gz PFPJDKRAGHYVCX-UHFFFAOYSA-N -1 3 311.259 3.586 20 0 DHADHM C[C@H](c1ccco1)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000182181429 337187184 /nfs/dbraw/zinc/18/71/84/337187184.db2.gz VIKCIFUJXALYIF-LLVKDONJSA-N -1 3 319.788 3.933 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1coc(-c2ccccc2)n1 ZINC000321061590 337191002 /nfs/dbraw/zinc/19/10/02/337191002.db2.gz YNAAXSHQVMUIKO-INIZCTEOSA-N -1 3 314.385 3.561 20 0 DHADHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000183274264 337192798 /nfs/dbraw/zinc/19/27/98/337192798.db2.gz MHULWGHDFQELFW-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM [O-]c1cc(F)cc(CNCc2cccc(Br)c2)c1 ZINC000184141288 337196534 /nfs/dbraw/zinc/19/65/34/337196534.db2.gz BXWBBARREQANKB-UHFFFAOYSA-N -1 3 310.166 3.584 20 0 DHADHM CC(C)Oc1ccc(CN2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000583089217 337239199 /nfs/dbraw/zinc/23/91/99/337239199.db2.gz AYYUFRBONNPPPW-ZDUSSCGKSA-N -1 3 311.809 3.566 20 0 DHADHM CN(Cc1ccc(OC(F)F)cc1)Cc1cc([O-])cc(F)c1 ZINC000186159038 337254079 /nfs/dbraw/zinc/25/40/79/337254079.db2.gz BCVWQEIXVIUKPF-UHFFFAOYSA-N -1 3 311.303 3.765 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000186213532 337254724 /nfs/dbraw/zinc/25/47/24/337254724.db2.gz KTGWFKRTVGPUJW-KRWDZBQOSA-N -1 3 321.779 3.758 20 0 DHADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000186238443 337254853 /nfs/dbraw/zinc/25/48/53/337254853.db2.gz GTQFNLNLQRYMQT-KPZWWZAWSA-N -1 3 319.351 3.632 20 0 DHADHM C[C@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)c2c([O-])cccc21 ZINC000186262306 337255440 /nfs/dbraw/zinc/25/54/40/337255440.db2.gz BNTHFUFXYFPGAY-ORAYPTAESA-N -1 3 323.392 3.546 20 0 DHADHM [O-]c1cc(F)cc(CNCc2nc3ccccc3n2C2CC2)c1 ZINC000186418825 337256037 /nfs/dbraw/zinc/25/60/37/337256037.db2.gz YMFWOXVWOYBFJW-UHFFFAOYSA-N -1 3 311.360 3.506 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000187587385 337267047 /nfs/dbraw/zinc/26/70/47/337267047.db2.gz ROXNTDZGILLOBO-UHFFFAOYSA-N -1 3 316.304 3.507 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000189384731 337279150 /nfs/dbraw/zinc/27/91/50/337279150.db2.gz UXDSKDYFXMYVAA-UHFFFAOYSA-N -1 3 318.446 3.786 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000189482454 337279378 /nfs/dbraw/zinc/27/93/78/337279378.db2.gz UYMUNUYTAPMSOM-GHMZBOCLSA-N -1 3 313.319 3.673 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccncc1C(F)(F)F ZINC000192236076 337305253 /nfs/dbraw/zinc/30/52/53/337305253.db2.gz OKPFAADLYAJSLH-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(C)C[C@@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000193121549 337308514 /nfs/dbraw/zinc/30/85/14/337308514.db2.gz GDBZDIDJPRRADQ-QGZVFWFLSA-N -1 3 323.396 3.786 20 0 DHADHM CC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000037336427 337364777 /nfs/dbraw/zinc/36/47/77/337364777.db2.gz XAKHLIXTBMUTIJ-UHFFFAOYSA-N -1 3 307.390 3.971 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000042210547 337406419 /nfs/dbraw/zinc/40/64/19/337406419.db2.gz SPUHJEMUUONMMP-UHFFFAOYSA-N -1 3 311.366 3.711 20 0 DHADHM CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2[O-])cc1 ZINC000128984923 337427617 /nfs/dbraw/zinc/42/76/17/337427617.db2.gz YOVBZPIMSLOMON-LLVKDONJSA-N -1 3 303.383 3.520 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000129096199 337428230 /nfs/dbraw/zinc/42/82/30/337428230.db2.gz SWPPQOMUCZDKNT-LLVKDONJSA-N -1 3 321.735 3.690 20 0 DHADHM CCOc1cc(CN2CCCCC2)cc(Br)c1[O-] ZINC000131961373 337439390 /nfs/dbraw/zinc/43/93/90/337439390.db2.gz OFZDQHANOWWQGI-UHFFFAOYSA-N -1 3 314.223 3.539 20 0 DHADHM Cc1ccccc1CN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000136068298 337453675 /nfs/dbraw/zinc/45/36/75/337453675.db2.gz RFKJBVZPUUBDPO-UHFFFAOYSA-N -1 3 303.789 3.555 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1cc(F)cc2cccnc21 ZINC000161619582 337592415 /nfs/dbraw/zinc/59/24/15/337592415.db2.gz HBAMZRFCULJLDC-UHFFFAOYSA-N -1 3 302.255 3.904 20 0 DHADHM Cc1cnc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)s1 ZINC000263441679 337629211 /nfs/dbraw/zinc/62/92/11/337629211.db2.gz WQDOJSMYLBVYGC-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM Cc1c(Cl)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nn1C ZINC000421883007 337658723 /nfs/dbraw/zinc/65/87/23/337658723.db2.gz JTRHHWABEOXFQL-UHFFFAOYSA-N -1 3 321.808 3.637 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(C)cc(F)c3)n2)ccc1[O-] ZINC000445426828 337727002 /nfs/dbraw/zinc/72/70/02/337727002.db2.gz MCTJUYKZTMXAEZ-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1csc(=O)[n-]1 ZINC000527449928 337742440 /nfs/dbraw/zinc/74/24/40/337742440.db2.gz ANEQQCWQZBEVAI-ZDUSSCGKSA-N -1 3 322.817 3.773 20 0 DHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1csc(=O)[n-]1 ZINC000527460814 337742999 /nfs/dbraw/zinc/74/29/99/337742999.db2.gz RFGWDBFASILVPT-ZDUSSCGKSA-N -1 3 302.399 3.510 20 0 DHADHM Cc1cc(F)c(CNC[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c(F)c1 ZINC000424615011 337919090 /nfs/dbraw/zinc/91/90/90/337919090.db2.gz IDQYSHJZUJRCGU-PIGZYNQJSA-N -1 3 311.372 3.644 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccccc2)n1 ZINC000424614900 337919119 /nfs/dbraw/zinc/91/91/19/337919119.db2.gz DDXNKHXNBKYRLZ-IUODEOHRSA-N -1 3 318.442 3.645 20 0 DHADHM CCc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1[O-] ZINC000537649935 337953748 /nfs/dbraw/zinc/95/37/48/337953748.db2.gz POUWYTKCMOITEZ-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1[O-] ZINC000537657829 337957174 /nfs/dbraw/zinc/95/71/74/337957174.db2.gz WBESLNXAHBBWHM-HNNXBMFYSA-N -1 3 301.411 3.993 20 0 DHADHM c1ccc(-c2n[n-]nc2-c2nc(CC3CCCCC3)no2)cc1 ZINC000516511401 338014160 /nfs/dbraw/zinc/01/41/60/338014160.db2.gz OJUYINLSPWFPHD-UHFFFAOYSA-N -1 3 309.373 3.645 20 0 DHADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc(C)c1O ZINC000445462173 338024370 /nfs/dbraw/zinc/02/43/70/338024370.db2.gz CWTUSYRZQPBVGQ-UHFFFAOYSA-N -1 3 322.324 3.709 20 0 DHADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc(C)c1O ZINC000445462173 338024371 /nfs/dbraw/zinc/02/43/71/338024371.db2.gz CWTUSYRZQPBVGQ-UHFFFAOYSA-N -1 3 322.324 3.709 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000426645333 338036862 /nfs/dbraw/zinc/03/68/62/338036862.db2.gz GNOJYXREHFHBBV-JTQLQIEISA-N -1 3 321.314 3.968 20 0 DHADHM Cc1nc(CNCc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000426659349 338037358 /nfs/dbraw/zinc/03/73/58/338037358.db2.gz DTAFCUSHNLECTA-UHFFFAOYSA-N -1 3 306.365 3.531 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1sccc1Br ZINC000426663703 338037474 /nfs/dbraw/zinc/03/74/74/338037474.db2.gz BFJFHMLDJCFPAU-VIFPVBQESA-N -1 3 320.252 3.634 20 0 DHADHM O=C([O-])C[C@H](CNCc1ccsc1Cl)c1ccccc1 ZINC000426667424 338037597 /nfs/dbraw/zinc/03/75/97/338037597.db2.gz YNKFKGFFXRBRLK-CYBMUJFWSA-N -1 3 309.818 3.750 20 0 DHADHM O=C([O-])CC1(CNCc2ccsc2Cl)CCCCC1 ZINC000426683024 338037931 /nfs/dbraw/zinc/03/79/31/338037931.db2.gz OAWDXVYGJMDOSH-UHFFFAOYSA-N -1 3 301.839 3.916 20 0 DHADHM Cc1ccc([C@H](NCc2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000426712067 338038832 /nfs/dbraw/zinc/03/88/32/338038832.db2.gz UGCFVKCBOYFYJP-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000426722311 338039254 /nfs/dbraw/zinc/03/92/54/338039254.db2.gz HDMDYLJJPAJRKH-QFYYESIMSA-N -1 3 323.314 3.656 20 0 DHADHM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426732147 338039697 /nfs/dbraw/zinc/03/96/97/338039697.db2.gz HKTFMQKGVYVORS-WOMSROEHSA-N -1 3 319.763 3.908 20 0 DHADHM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426734687 338039875 /nfs/dbraw/zinc/03/98/75/338039875.db2.gz AXJLXFKMVFSXJG-MRXNPFEDSA-N -1 3 303.789 3.818 20 0 DHADHM Cc1cccc([C@H](NCc2cccc3cc[nH]c32)C(=O)[O-])c1C ZINC000426739214 338040132 /nfs/dbraw/zinc/04/01/32/338040132.db2.gz AQINVNBAEGBGCT-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(F)cc2)cc1 ZINC000426756167 338040916 /nfs/dbraw/zinc/04/09/16/338040916.db2.gz IKBQEGFTDPZYDY-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cccc3cccnc32)C(=O)[O-])c1 ZINC000426763275 338041231 /nfs/dbraw/zinc/04/12/31/338041231.db2.gz RMTSRZJYOSJWAG-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM CCCCn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1CC ZINC000430304583 338104753 /nfs/dbraw/zinc/10/47/53/338104753.db2.gz OCUBGBPJRYHSIK-UHFFFAOYSA-N -1 3 321.808 3.857 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCCN1C1CCCC1 ZINC000431734785 338137700 /nfs/dbraw/zinc/13/77/00/338137700.db2.gz XNNASKIOLWVEPA-OAHLLOKOSA-N -1 3 322.836 3.781 20 0 DHADHM O=C(NCC1(c2ccc(F)cc2)CC1)c1cc([O-])ccc1Cl ZINC000431738635 338137811 /nfs/dbraw/zinc/13/78/11/338137811.db2.gz JCVGNTOCPFNHLO-UHFFFAOYSA-N -1 3 319.763 3.646 20 0 DHADHM C[C@@H](Cc1ccccc1F)NC(=O)c1cc([O-])ccc1Cl ZINC000431760686 338138173 /nfs/dbraw/zinc/13/81/73/338138173.db2.gz LWUIWGDPRGWNSX-JTQLQIEISA-N -1 3 307.752 3.546 20 0 DHADHM CCOCc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431787891 338138908 /nfs/dbraw/zinc/13/89/08/338138908.db2.gz WZKYUOBVFKQRNR-UHFFFAOYSA-N -1 3 305.761 3.834 20 0 DHADHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000431913513 338141663 /nfs/dbraw/zinc/14/16/63/338141663.db2.gz NBFQAPKPNZCDCP-UHFFFAOYSA-N -1 3 311.715 3.596 20 0 DHADHM COC[C@@H](C)n1c2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC000435717862 338246086 /nfs/dbraw/zinc/24/60/86/338246086.db2.gz SOOVRFFHYAFDAG-LLVKDONJSA-N -1 3 300.333 3.755 20 0 DHADHM CC[C@@](C)(OC)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000435811198 338250079 /nfs/dbraw/zinc/25/00/79/338250079.db2.gz VULSQBCKZWAGQT-LJQANCHMSA-N -1 3 313.397 3.737 20 0 DHADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436489467 338274033 /nfs/dbraw/zinc/27/40/33/338274033.db2.gz QEVBQCFEVIMSQW-NSHDSACASA-N -1 3 316.401 3.654 20 0 DHADHM CC(C)(C)Oc1ccc(-c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000436515038 338274659 /nfs/dbraw/zinc/27/46/59/338274659.db2.gz QQRCPJUHIFNTMC-UHFFFAOYSA-N -1 3 311.341 3.682 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000436526700 338275256 /nfs/dbraw/zinc/27/52/56/338275256.db2.gz BGAIPXFXKMCQJP-ZDUSSCGKSA-N -1 3 322.364 3.847 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc3ncsc3c2)c1[O-] ZINC000436531515 338275471 /nfs/dbraw/zinc/27/54/71/338275471.db2.gz SXJPFXPJCWBRCU-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1 ZINC000436535288 338275664 /nfs/dbraw/zinc/27/56/64/338275664.db2.gz RREBTPPTRHWOLJ-OCCSQVGLSA-N -1 3 314.291 3.992 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1 ZINC000436535290 338275688 /nfs/dbraw/zinc/27/56/88/338275688.db2.gz RREBTPPTRHWOLJ-TZMCWYRMSA-N -1 3 314.291 3.992 20 0 DHADHM COCCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)c1ccccc1 ZINC000436534401 338275770 /nfs/dbraw/zinc/27/57/70/338275770.db2.gz OWVGNTVFAUHAOI-HNNXBMFYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1cccc(-c2nc(CCn3ccc4ccccc43)no2)c1[O-] ZINC000436536467 338275866 /nfs/dbraw/zinc/27/58/66/338275866.db2.gz VOZAZZALNXNXFA-UHFFFAOYSA-N -1 3 319.364 3.948 20 0 DHADHM CC[C@](C)(NC(=O)c1ccc(C)c(C)c1[O-])c1nccs1 ZINC000436535915 338275897 /nfs/dbraw/zinc/27/58/97/338275897.db2.gz LOTQYDVECMZAPV-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccccc1[O-] ZINC000436536684 338276007 /nfs/dbraw/zinc/27/60/07/338276007.db2.gz FALJQAORFUYUBD-KRWDZBQOSA-N -1 3 311.381 3.550 20 0 DHADHM Cc1ccnc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000436546743 338276442 /nfs/dbraw/zinc/27/64/42/338276442.db2.gz LGMRXLVJRKORBF-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC000436549880 338276662 /nfs/dbraw/zinc/27/66/62/338276662.db2.gz XYYIKNKRGQLQCK-FQEVSTJZSA-N -1 3 309.409 3.895 20 0 DHADHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000436550483 338276758 /nfs/dbraw/zinc/27/67/58/338276758.db2.gz IRUAKBYYEZXVJK-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)c([O-])c1 ZINC000436553004 338276958 /nfs/dbraw/zinc/27/69/58/338276958.db2.gz FJEOTUTTZPGSBO-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1csc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436565936 338277326 /nfs/dbraw/zinc/27/73/26/338277326.db2.gz SHRYEGRIEDYORE-NSHDSACASA-N -1 3 304.415 3.772 20 0 DHADHM CC[C@]1(C)CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436571315 338277573 /nfs/dbraw/zinc/27/75/73/338277573.db2.gz CMQSGZGRQBONSE-LJQANCHMSA-N -1 3 317.429 3.758 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](c2cccnc2)C(C)C)c([O-])c1C ZINC000436580020 338278262 /nfs/dbraw/zinc/27/82/62/338278262.db2.gz ZCIFVGRNWQDAFU-KRWDZBQOSA-N -1 3 312.413 3.574 20 0 DHADHM Cc1ccc(-c2nc(CNC(=O)c3ccc(C)cc3[O-])co2)cc1 ZINC000436584044 338278325 /nfs/dbraw/zinc/27/83/25/338278325.db2.gz IMMSYFSNRGZYMR-UHFFFAOYSA-N -1 3 322.364 3.594 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436588132 338278687 /nfs/dbraw/zinc/27/86/87/338278687.db2.gz HFGYFTCFOVCCJC-GOEBONIOSA-N -1 3 319.445 3.793 20 0 DHADHM Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c([O-])c1C ZINC000436589034 338278835 /nfs/dbraw/zinc/27/88/35/338278835.db2.gz JKROXBQLZXOHKJ-INIZCTEOSA-N -1 3 317.429 3.573 20 0 DHADHM COc1c(F)cc(F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436591858 338278855 /nfs/dbraw/zinc/27/88/55/338278855.db2.gz YOVGRAOPYNXFDI-UHFFFAOYSA-N -1 3 307.296 3.548 20 0 DHADHM CS[C@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436597480 338279239 /nfs/dbraw/zinc/27/92/39/338279239.db2.gz VMKUVUIBACBYTC-AWEZNQCLSA-N -1 3 307.459 3.873 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3ncccc3F)n2)c2ccccc12 ZINC000436619911 338280318 /nfs/dbraw/zinc/28/03/18/338280318.db2.gz TWTHOFYJGSBXQT-UHFFFAOYSA-N -1 3 321.311 3.720 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436624990 338280522 /nfs/dbraw/zinc/28/05/22/338280522.db2.gz LEPZNOZDEQAWBC-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1cc(F)ccc1F ZINC000436635141 338280871 /nfs/dbraw/zinc/28/08/71/338280871.db2.gz KDIHDBHCTMKARR-AWEZNQCLSA-N -1 3 321.323 3.560 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc1[O-] ZINC000436650957 338281438 /nfs/dbraw/zinc/28/14/38/338281438.db2.gz SWHWKIAHMJREQY-OAHLLOKOSA-N -1 3 317.429 3.883 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc1[O-] ZINC000436650956 338281440 /nfs/dbraw/zinc/28/14/40/338281440.db2.gz SWHWKIAHMJREQY-HNNXBMFYSA-N -1 3 317.429 3.883 20 0 DHADHM CCc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1C ZINC000436655831 338281833 /nfs/dbraw/zinc/28/18/33/338281833.db2.gz KBJASZFFJAGXGU-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM CCOCCC1(CNC(=O)c2ccc([O-])c(CC)c2)CCCC1 ZINC000436659945 338282077 /nfs/dbraw/zinc/28/20/77/338282077.db2.gz QRBZLROBSSGJQV-UHFFFAOYSA-N -1 3 319.445 3.671 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c([O-])c1 ZINC000436665148 338282171 /nfs/dbraw/zinc/28/21/71/338282171.db2.gz NVAWJKVQZBWAQN-CQSZACIVSA-N -1 3 317.772 3.608 20 0 DHADHM Cc1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c([O-])c1 ZINC000436677721 338282434 /nfs/dbraw/zinc/28/24/34/338282434.db2.gz DYXZYOIIMBDBFR-UHFFFAOYSA-N -1 3 311.356 3.922 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1[O-] ZINC000436685218 338282766 /nfs/dbraw/zinc/28/27/66/338282766.db2.gz AYNITBXFQJGTOQ-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c([O-])c1 ZINC000436685169 338282870 /nfs/dbraw/zinc/28/28/70/338282870.db2.gz ASIQWIKCTTUFOI-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM Cc1csc(CCCCNC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000436694742 338283208 /nfs/dbraw/zinc/28/32/08/338283208.db2.gz IXNQYJUHOLRTLS-UHFFFAOYSA-N -1 3 318.442 3.527 20 0 DHADHM Cc1ccsc1CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436716531 338283894 /nfs/dbraw/zinc/28/38/94/338283894.db2.gz QJYUECZCEKZRSD-UHFFFAOYSA-N -1 3 315.438 3.913 20 0 DHADHM CCc1cnccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436732462 338284736 /nfs/dbraw/zinc/28/47/36/338284736.db2.gz QWGWUZMSIFANDI-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2ccc(SC)cc2)c1[O-] ZINC000436738528 338284745 /nfs/dbraw/zinc/28/47/45/338284745.db2.gz LMYDEAAQNUQPTQ-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM COc1cccc(C(=O)Nc2ccccc2NC(C)(C)C)c1[O-] ZINC000436737971 338284917 /nfs/dbraw/zinc/28/49/17/338284917.db2.gz KXZAPBTUJDYWHY-UHFFFAOYSA-N -1 3 314.385 3.864 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436749007 338285134 /nfs/dbraw/zinc/28/51/34/338285134.db2.gz QVYIQFYSWOWCHW-KRWDZBQOSA-N -1 3 313.397 3.933 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436759528 338285908 /nfs/dbraw/zinc/28/59/08/338285908.db2.gz ZKGLGQBOPORSHY-OAHLLOKOSA-N -1 3 309.409 3.855 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc3ncccc32)c1[O-] ZINC000436758028 338285920 /nfs/dbraw/zinc/28/59/20/338285920.db2.gz XEOZXCKZZCBBMX-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CN(C)Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436760014 338286166 /nfs/dbraw/zinc/28/61/66/338286166.db2.gz KIEDMUYFQBSWCC-UHFFFAOYSA-N -1 3 320.392 3.859 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccc(F)c(Cl)c3)n2)cc1 ZINC000436767696 338286358 /nfs/dbraw/zinc/28/63/58/338286358.db2.gz HHBOTHGMPQUOTP-UHFFFAOYSA-N -1 3 320.707 3.814 20 0 DHADHM Cc1cc(C)c(C)c(OCCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436769646 338286505 /nfs/dbraw/zinc/28/65/05/338286505.db2.gz KGXDWANUCQSDKS-UHFFFAOYSA-N -1 3 324.380 3.989 20 0 DHADHM Cc1cc2ccccc2n1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436768339 338286623 /nfs/dbraw/zinc/28/66/23/338286623.db2.gz JPHWGCRODLJMQE-UHFFFAOYSA-N -1 3 305.337 3.754 20 0 DHADHM COc1ccccc1C[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436778206 338286899 /nfs/dbraw/zinc/28/68/99/338286899.db2.gz QRFUXSUONREIBW-CYBMUJFWSA-N -1 3 324.380 3.872 20 0 DHADHM COc1cc(Cl)c(NC(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436781240 338287102 /nfs/dbraw/zinc/28/71/02/338287102.db2.gz SKQBHGYRZNMJHH-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436786483 338287241 /nfs/dbraw/zinc/28/72/41/338287241.db2.gz DHOOQHZPAJMSOG-OAHLLOKOSA-N -1 3 318.417 3.536 20 0 DHADHM COc1cc(-c2noc(-c3ccc(Cl)cc3F)n2)ccc1[O-] ZINC000436789306 338287525 /nfs/dbraw/zinc/28/75/25/338287525.db2.gz KIZNKKLCVHFACY-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM Cc1cc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)ccc1[O-] ZINC000436795628 338287798 /nfs/dbraw/zinc/28/77/98/338287798.db2.gz ZQOARLNONGXUSE-CYBMUJFWSA-N -1 3 301.390 3.757 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)c2ncccc12 ZINC000436802913 338287885 /nfs/dbraw/zinc/28/78/85/338287885.db2.gz GUPQEVSXXDMLKM-UHFFFAOYSA-N -1 3 322.364 3.900 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCS[C@@H](C)CC2)c([O-])c1 ZINC000436817177 338288440 /nfs/dbraw/zinc/28/84/40/338288440.db2.gz WKQUDAQSLBZAFM-ZDUSSCGKSA-N -1 3 323.458 3.539 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c1[O-] ZINC000436818327 338288447 /nfs/dbraw/zinc/28/84/47/338288447.db2.gz UQQMRTLAQFGGOU-HXUWFJFHSA-N -1 3 309.409 3.938 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)c([O-])c1 ZINC000436816687 338288536 /nfs/dbraw/zinc/28/85/36/338288536.db2.gz UGLZPPIQGJRMLG-INIZCTEOSA-N -1 3 317.429 3.547 20 0 DHADHM COc1cc(-c2noc(-c3ccnc4ccccc43)n2)ccc1[O-] ZINC000436820999 338288610 /nfs/dbraw/zinc/28/86/10/338288610.db2.gz JQDLJEFIXCINHR-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccccc2[O-])c1 ZINC000436820453 338288675 /nfs/dbraw/zinc/28/86/75/338288675.db2.gz LWJPJUKOOZIRJT-CXAGYDPISA-N -1 3 311.381 3.624 20 0 DHADHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccccc2[O-])c1 ZINC000436820455 338288700 /nfs/dbraw/zinc/28/87/00/338288700.db2.gz LWJPJUKOOZIRJT-GUYCJALGSA-N -1 3 311.381 3.624 20 0 DHADHM CCc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c([O-])c1 ZINC000436834820 338289252 /nfs/dbraw/zinc/28/92/52/338289252.db2.gz RBGJZVRHANXRKR-UHFFFAOYSA-N -1 3 319.351 3.862 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000436845260 338289640 /nfs/dbraw/zinc/28/96/40/338289640.db2.gz IRJRQVMXURVYBN-STQMWFEESA-N -1 3 305.418 3.688 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000436845257 338289703 /nfs/dbraw/zinc/28/97/03/338289703.db2.gz IRJRQVMXURVYBN-CHWSQXEVSA-N -1 3 305.418 3.688 20 0 DHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c1 ZINC000436848098 338289836 /nfs/dbraw/zinc/28/98/36/338289836.db2.gz SRTVOOKLKNZHDB-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccccc3OCC3CC3)n2)cc1 ZINC000436868513 338290618 /nfs/dbraw/zinc/29/06/18/338290618.db2.gz HUOCHNBQKLUHFU-UHFFFAOYSA-N -1 3 308.337 3.898 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cnc4ccccc4c3)n2)cc1 ZINC000436870615 338290776 /nfs/dbraw/zinc/29/07/76/338290776.db2.gz OCNIWXIYJKPWOV-UHFFFAOYSA-N -1 3 303.321 3.581 20 0 DHADHM CC1(C)COc2c1cccc2-c1nc(-c2ccc([O-])cc2)no1 ZINC000436872075 338290952 /nfs/dbraw/zinc/29/09/52/338290952.db2.gz SBXCRSNGLLMHKG-UHFFFAOYSA-N -1 3 308.337 3.779 20 0 DHADHM COc1cc(-c2noc(-c3cc4[nH]ccc4s3)n2)ccc1[O-] ZINC000436877721 338291300 /nfs/dbraw/zinc/29/13/00/338291300.db2.gz QLQIAUMIMVIYIF-UHFFFAOYSA-N -1 3 313.338 3.661 20 0 DHADHM CCCn1c2ccccc2nc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436893436 338292292 /nfs/dbraw/zinc/29/22/92/338292292.db2.gz AZVDSKHGMUYNON-UHFFFAOYSA-N -1 3 309.369 3.713 20 0 DHADHM COc1cc(-c2noc(-c3cc4ccccc4o3)n2)ccc1[O-] ZINC000436898715 338292520 /nfs/dbraw/zinc/29/25/20/338292520.db2.gz ZJAFVXHXOSBQKI-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000436896022 338292607 /nfs/dbraw/zinc/29/26/07/338292607.db2.gz ZTIJMRPUPYLPHC-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1cccc(-c2nc(CCC3CCCCC3)no2)c1[O-] ZINC000436911585 338293065 /nfs/dbraw/zinc/29/30/65/338293065.db2.gz TZVJQPKBJHMDDI-UHFFFAOYSA-N -1 3 302.374 3.964 20 0 DHADHM CCOCc1ccccc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000436910212 338293142 /nfs/dbraw/zinc/29/31/42/338293142.db2.gz ORYSIVLEULAGRK-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM COc1cccc(C(=O)N(Cc2ccccc2C)C2CC2)c1[O-] ZINC000436913345 338293259 /nfs/dbraw/zinc/29/32/59/338293259.db2.gz JEDNNWHCLITELH-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM Cc1ccc(-c2nc(-c3ccccc3-n3cccn3)no2)c([O-])c1 ZINC000436916511 338293349 /nfs/dbraw/zinc/29/33/49/338293349.db2.gz WWJWZRWLYQXHQB-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c([O-])c1 ZINC000436921925 338293432 /nfs/dbraw/zinc/29/34/32/338293432.db2.gz YCSABCHHELNJMF-UHFFFAOYSA-N -1 3 323.327 3.962 20 0 DHADHM COc1cc(/C=C(/C)c2cnccn2)cc(Br)c1[O-] ZINC000436920628 338293554 /nfs/dbraw/zinc/29/35/54/338293554.db2.gz HSLAYBOKHDDSPZ-UITAMQMPSA-N -1 3 321.174 3.514 20 0 DHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436926588 338293744 /nfs/dbraw/zinc/29/37/44/338293744.db2.gz KURYJESESBZMTH-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM COc1ccc(OC(F)F)c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436927616 338293791 /nfs/dbraw/zinc/29/37/91/338293791.db2.gz SZUAGQQJFBAZHW-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM Cc1cc(C(=O)N(Cc2ccccc2F)C(C)C)ccc1[O-] ZINC000436928035 338293807 /nfs/dbraw/zinc/29/38/07/338293807.db2.gz RCVDMDYOQLHBDM-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436927622 338293855 /nfs/dbraw/zinc/29/38/55/338293855.db2.gz PUKCWXQZNAVRAW-UHFFFAOYSA-N -1 3 312.369 3.692 20 0 DHADHM Cc1cccc(-c2nc(-c3cccc4cnccc43)no2)c1[O-] ZINC000436926255 338293867 /nfs/dbraw/zinc/29/38/67/338293867.db2.gz JBBXNBYHEKAPIY-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4cnn(C)c4c3)no2)c([O-])c1C ZINC000436932344 338294191 /nfs/dbraw/zinc/29/41/91/338294191.db2.gz OUPYCQXYAZWKCL-UHFFFAOYSA-N -1 3 320.352 3.613 20 0 DHADHM COc1ccc2c(c1)CCCCN2C(=O)c1ccc([O-])c(C)c1 ZINC000436933069 338294293 /nfs/dbraw/zinc/29/42/93/338294293.db2.gz SDQAHYSDEBEQMT-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM COc1cc(C)cc(-c2nc([C@@H]3CCc4ccccc43)no2)c1[O-] ZINC000436940361 338294888 /nfs/dbraw/zinc/29/48/88/338294888.db2.gz VWZYGSMYBBXRSX-CQSZACIVSA-N -1 3 322.364 3.837 20 0 DHADHM Cc1ccnc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000436942237 338294922 /nfs/dbraw/zinc/29/49/22/338294922.db2.gz HJPJIXVYKVYCBX-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c([O-])c1 ZINC000436946045 338295191 /nfs/dbraw/zinc/29/51/91/338295191.db2.gz CBFRHLMTTVNCIK-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1[O-] ZINC000436947728 338295265 /nfs/dbraw/zinc/29/52/65/338295265.db2.gz RXTXCTQESYCGMK-FZMZJTMJSA-N -1 3 319.763 3.779 20 0 DHADHM CN(Cc1ccccc1F)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436951308 338295575 /nfs/dbraw/zinc/29/55/75/338295575.db2.gz YYMKCMFBXAXYBL-UHFFFAOYSA-N -1 3 313.372 3.682 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1 ZINC000436953820 338295745 /nfs/dbraw/zinc/29/57/45/338295745.db2.gz BUYIYQGPJZRWMK-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1csc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436965400 338296172 /nfs/dbraw/zinc/29/61/72/338296172.db2.gz UDTJLDAOUARVEV-NSHDSACASA-N -1 3 316.426 3.527 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CC)C2)c([O-])c1 ZINC000436973015 338296458 /nfs/dbraw/zinc/29/64/58/338296458.db2.gz RSJQDGPDWFADRE-AWEZNQCLSA-N -1 3 305.418 3.833 20 0 DHADHM CCc1ncsc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436979042 338296642 /nfs/dbraw/zinc/29/66/42/338296642.db2.gz XDIYSTAOQPVKQL-UHFFFAOYSA-N -1 3 302.399 3.542 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1[O-] ZINC000436983276 338296647 /nfs/dbraw/zinc/29/66/47/338296647.db2.gz JWOLWPLXKGBCLA-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000437365892 338308010 /nfs/dbraw/zinc/30/80/10/338308010.db2.gz SYKHGYTWVDEWQQ-LSDHHAIUSA-N -1 3 301.773 3.640 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1c([O-])cccc1O ZINC000438452100 338343980 /nfs/dbraw/zinc/34/39/80/338343980.db2.gz UDQGOUSVFQTUEA-JKSUJKDBSA-N -1 3 319.360 3.537 20 0 DHADHM CC(C)[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000438507420 338346557 /nfs/dbraw/zinc/34/65/57/338346557.db2.gz JOYUTODZIMFGMN-LBPRGKRZSA-N -1 3 311.385 3.560 20 0 DHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000438726594 338351235 /nfs/dbraw/zinc/35/12/35/338351235.db2.gz UZPWXKNAXLSELI-UHFFFAOYSA-N -1 3 319.426 3.641 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3SCCc4ccccc43)n2)cc1 ZINC000438757541 338351746 /nfs/dbraw/zinc/35/17/46/338351746.db2.gz ULICSYLRQJMKLL-OAHLLOKOSA-N -1 3 310.378 3.821 20 0 DHADHM [O-]c1ccc(F)c(CNc2cccc(-c3cnco3)c2)c1F ZINC000438852374 338353923 /nfs/dbraw/zinc/35/39/23/338353923.db2.gz RGQNDKJCHBXWBY-UHFFFAOYSA-N -1 3 302.280 3.938 20 0 DHADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)n[nH]1 ZINC000439924693 338380979 /nfs/dbraw/zinc/38/09/79/338380979.db2.gz UFYZVWROMCUWGQ-SNVBAGLBSA-N -1 3 313.361 3.549 20 0 DHADHM CCC[C@@H](C)c1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)n[nH]1 ZINC000439924693 338380980 /nfs/dbraw/zinc/38/09/80/338380980.db2.gz UFYZVWROMCUWGQ-SNVBAGLBSA-N -1 3 313.361 3.549 20 0 DHADHM CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448629984 338381978 /nfs/dbraw/zinc/38/19/78/338381978.db2.gz YQUOKSPTEIDHMY-GOSISDBHSA-N -1 3 301.361 3.587 20 0 DHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(CC)c2[O-])C1 ZINC000162878968 338422027 /nfs/dbraw/zinc/42/20/27/338422027.db2.gz FVCUQAMVLGJHMJ-UONOGXRCSA-N -1 3 307.459 3.701 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000449916237 338658682 /nfs/dbraw/zinc/65/86/82/338658682.db2.gz WHHOFTQPDWGJOF-CVEARBPZSA-N -1 3 313.372 3.731 20 0 DHADHM CC1(C)C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450175736 338669949 /nfs/dbraw/zinc/66/99/49/338669949.db2.gz XFHJGNPTMVZAHU-MRXNPFEDSA-N -1 3 313.372 3.613 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(O)c1 ZINC000451483946 338736391 /nfs/dbraw/zinc/73/63/91/338736391.db2.gz YWPZYMYOXDXBQT-UHFFFAOYSA-N -1 3 317.360 3.716 20 0 DHADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1cccs1 ZINC000451794242 338744430 /nfs/dbraw/zinc/74/44/30/338744430.db2.gz WXVLHNGOPCMRRI-INIZCTEOSA-N -1 3 319.401 3.745 20 0 DHADHM Cc1ccccc1CCN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000452329584 338763731 /nfs/dbraw/zinc/76/37/31/338763731.db2.gz CETDOHVCPSDWEN-UHFFFAOYSA-N -1 3 317.816 3.598 20 0 DHADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(C)(F)F ZINC000452462292 338767428 /nfs/dbraw/zinc/76/74/28/338767428.db2.gz WKUQCIYAOSANSY-NSHDSACASA-N -1 3 307.340 3.638 20 0 DHADHM Cc1cccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1[O-] ZINC000195688462 338914298 /nfs/dbraw/zinc/91/42/98/338914298.db2.gz HCVTVTWKASWBKX-SFHVURJKSA-N -1 3 307.393 3.993 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000456139030 338920299 /nfs/dbraw/zinc/92/02/99/338920299.db2.gz XPAVQUNKWWQZED-JQWIXIFHSA-N -1 3 315.335 3.758 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000456572806 338934531 /nfs/dbraw/zinc/93/45/31/338934531.db2.gz SLOXVEVZVMUXIA-KRWDZBQOSA-N -1 3 311.381 3.915 20 0 DHADHM O=C(NCCC1CC(F)(F)C1)c1cc([O-])ccc1C(F)(F)F ZINC000457182369 338954834 /nfs/dbraw/zinc/95/48/34/338954834.db2.gz LBGVXTAUCCVPMY-UHFFFAOYSA-N -1 3 323.261 3.576 20 0 DHADHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)CC(C)(C)C)c[n-]c12 ZINC000457233899 338956680 /nfs/dbraw/zinc/95/66/80/338956680.db2.gz SIKZDARIUBAMIC-LLVKDONJSA-N -1 3 318.392 3.530 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1Cc2cccc(F)c2C1 ZINC000458134221 338989434 /nfs/dbraw/zinc/98/94/34/338989434.db2.gz SQAYYBQWFAAYDG-UHFFFAOYSA-N -1 3 317.335 3.536 20 0 DHADHM CCOc1cc(CN(C)Cc2cccc(C)n2)cc(Cl)c1[O-] ZINC000459336683 339022690 /nfs/dbraw/zinc/02/26/90/339022690.db2.gz AWCSRKVAFMHAGQ-UHFFFAOYSA-N -1 3 320.820 3.780 20 0 DHADHM CCOc1cc(CN2CCS[C@H](CC)C2)cc(Cl)c1[O-] ZINC000459348966 339023648 /nfs/dbraw/zinc/02/36/48/339023648.db2.gz RIEKBTUKFXSCGA-GFCCVEGCSA-N -1 3 315.866 3.772 20 0 DHADHM CC(C)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000459354324 339023952 /nfs/dbraw/zinc/02/39/52/339023952.db2.gz UOZPKILNBKVFMK-QGZVFWFLSA-N -1 3 315.392 3.686 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1Cl ZINC000459387683 339026365 /nfs/dbraw/zinc/02/63/65/339026365.db2.gz NLIKUHXSKTVEGM-VIFPVBQESA-N -1 3 321.783 3.703 20 0 DHADHM C[C@@H](c1cccnc1)N(C)Cc1cccc([O-])c1Br ZINC000459477900 339031610 /nfs/dbraw/zinc/03/16/10/339031610.db2.gz ILCFYKHSVAGKLV-NSHDSACASA-N -1 3 321.218 3.743 20 0 DHADHM CCOc1cc(CNc2cccc3c2CCO3)cc(Cl)c1[O-] ZINC000459527629 339034249 /nfs/dbraw/zinc/03/42/49/339034249.db2.gz NGRZYXHBHZLCIH-UHFFFAOYSA-N -1 3 319.788 3.991 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2nccn2CC)cc(Cl)c1[O-] ZINC000459574129 339036851 /nfs/dbraw/zinc/03/68/51/339036851.db2.gz RRFFPYSNCRVWPO-NSHDSACASA-N -1 3 323.824 3.512 20 0 DHADHM CCOc1cc(CNCc2ccc(C)c(C)n2)cc(Cl)c1[O-] ZINC000459659182 339041125 /nfs/dbraw/zinc/04/11/25/339041125.db2.gz CXMRYCWZBNVPLR-UHFFFAOYSA-N -1 3 320.820 3.746 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C1CC1 ZINC000460963322 339055974 /nfs/dbraw/zinc/05/59/74/339055974.db2.gz ZQKGAUKGSFJGCB-QGZVFWFLSA-N -1 3 305.393 3.501 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461337886 339062057 /nfs/dbraw/zinc/06/20/57/339062057.db2.gz FMJOUGWIOAWFPX-UHFFFAOYSA-N -1 3 317.410 3.764 20 0 DHADHM O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1ccc(Cl)s1 ZINC000462482855 339079913 /nfs/dbraw/zinc/07/99/13/339079913.db2.gz BOFNGPYPCGAOEV-GHMZBOCLSA-N -1 3 319.879 3.649 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1cccc(Cl)c1F ZINC000466469761 339206492 /nfs/dbraw/zinc/20/64/92/339206492.db2.gz BZFKUBSPQNHBKK-UHFFFAOYSA-N -1 3 315.801 3.869 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000468276810 339258525 /nfs/dbraw/zinc/25/85/25/339258525.db2.gz KHUNNMCIYNZOBW-SFHVURJKSA-N -1 3 323.440 3.787 20 0 DHADHM C[C@H](Cc1cccs1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468327071 339259832 /nfs/dbraw/zinc/25/98/32/339259832.db2.gz DASRTYSAKSGRAD-GFCCVEGCSA-N -1 3 321.417 3.663 20 0 DHADHM COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468561350 339266466 /nfs/dbraw/zinc/26/64/66/339266466.db2.gz UAIQMEGBEPGAFW-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CCOc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468567990 339266630 /nfs/dbraw/zinc/26/66/30/339266630.db2.gz UACOTVXGAVCDAE-UHFFFAOYSA-N -1 3 317.360 3.891 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cc(C)ccc3F)cc2[n-]1 ZINC000468877014 339273401 /nfs/dbraw/zinc/27/34/01/339273401.db2.gz IJJKWFBNKZCOMF-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cc(C)ccc3F)ccc2[n-]1 ZINC000468877014 339273402 /nfs/dbraw/zinc/27/34/02/339273402.db2.gz IJJKWFBNKZCOMF-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CC[C@H](NCc1cc([O-])ccc1Br)C(F)(F)F ZINC000468924348 339274846 /nfs/dbraw/zinc/27/48/46/339274846.db2.gz JOMDHRGVSPKHMS-JTQLQIEISA-N -1 3 312.129 3.585 20 0 DHADHM CC(C)C[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469003091 339277376 /nfs/dbraw/zinc/27/73/76/339277376.db2.gz RDAGQKOTHNVLGY-HNNXBMFYSA-N -1 3 307.409 3.891 20 0 DHADHM CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469390759 339287570 /nfs/dbraw/zinc/28/75/70/339287570.db2.gz KENMYJZPCBPTQP-CQSZACIVSA-N -1 3 307.409 3.893 20 0 DHADHM CC1(C)CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469395674 339287746 /nfs/dbraw/zinc/28/77/46/339287746.db2.gz NXDLYBFNJROHLX-UHFFFAOYSA-N -1 3 307.409 3.939 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000469421147 339288479 /nfs/dbraw/zinc/28/84/79/339288479.db2.gz YVEJUSQWIKAYMI-HRCADAONSA-N -1 3 319.420 3.939 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000470115617 339311176 /nfs/dbraw/zinc/31/11/76/339311176.db2.gz AVLCKBHBNKAZMB-ZDUSSCGKSA-N -1 3 315.335 3.758 20 0 DHADHM CSc1cccc(C)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000471964494 339358343 /nfs/dbraw/zinc/35/83/43/339358343.db2.gz OEYGKGHOAQMEDM-UHFFFAOYSA-N -1 3 321.467 3.701 20 0 DHADHM COC(=O)c1ccc(C(=O)[N-]c2c(C)cccc2SC)s1 ZINC000472245086 339367561 /nfs/dbraw/zinc/36/75/61/339367561.db2.gz BLXQVUQQBAWWCI-UHFFFAOYSA-N -1 3 321.423 3.817 20 0 DHADHM COc1cccc(C2CCN(Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000473142573 339382632 /nfs/dbraw/zinc/38/26/32/339382632.db2.gz RXMBKWNZEMODLK-UHFFFAOYSA-N -1 3 315.388 3.920 20 0 DHADHM CCc1ccc(-c2ccc(C(=O)NCc3ncccc3[O-])o2)cc1 ZINC000473628169 339389151 /nfs/dbraw/zinc/38/91/51/339389151.db2.gz IGPJUNPUBSIJMY-UHFFFAOYSA-N -1 3 322.364 3.540 20 0 DHADHM Cc1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477305753 339492169 /nfs/dbraw/zinc/49/21/69/339492169.db2.gz FXRPFLOPJPQWRD-UHFFFAOYSA-N -1 3 320.186 3.644 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(Cl)cc1F ZINC000477516375 339496573 /nfs/dbraw/zinc/49/65/73/339496573.db2.gz KVWIHXMTBMMREM-UHFFFAOYSA-N -1 3 319.810 3.525 20 0 DHADHM Cc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)ccc1[O-] ZINC000479263381 339530028 /nfs/dbraw/zinc/53/00/28/339530028.db2.gz ZUZVALSLVJASPR-UHFFFAOYSA-N -1 3 319.351 3.732 20 0 DHADHM Cc1noc([N-]C(=O)COc2ccc(C(C)(C)C)cc2)c1C ZINC000479849356 339550355 /nfs/dbraw/zinc/55/03/55/339550355.db2.gz DRWOAPCGAKXFNQ-UHFFFAOYSA-N -1 3 302.374 3.606 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CCCC[C@@H]1CC ZINC000483967651 339678861 /nfs/dbraw/zinc/67/88/61/339678861.db2.gz WMYOHSILNOLNDB-RYUDHWBXSA-N -1 3 322.405 3.569 20 0 DHADHM CCc1cc(C(=O)N(CC)CCc2cccs2)ccc1[O-] ZINC000485755393 339712237 /nfs/dbraw/zinc/71/22/37/339712237.db2.gz CPFFMJUKRKLYDQ-UHFFFAOYSA-N -1 3 303.427 3.721 20 0 DHADHM CCc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)ccc1[O-] ZINC000486543087 339729065 /nfs/dbraw/zinc/72/90/65/339729065.db2.gz GDSLBHMKCOTTRI-NSHDSACASA-N -1 3 319.351 3.766 20 0 DHADHM CCc1cc(C(=O)N2CC=C(c3ccc(C)nc3)CC2)ccc1[O-] ZINC000486956765 339740045 /nfs/dbraw/zinc/74/00/45/339740045.db2.gz ORELGBCJLJFVEZ-UHFFFAOYSA-N -1 3 322.408 3.588 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccc1[O-] ZINC000498514857 339759728 /nfs/dbraw/zinc/75/97/28/339759728.db2.gz HPXAQGKMCWLLQT-SFHVURJKSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)ccc1[O-] ZINC000498516289 339761005 /nfs/dbraw/zinc/76/10/05/339761005.db2.gz WLAXMEQIHCNJJZ-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)ccc1[O-] ZINC000498517386 339762267 /nfs/dbraw/zinc/76/22/67/339762267.db2.gz QJFHBJBGCXYIHX-QGZVFWFLSA-N -1 3 313.372 3.687 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1cc(F)ccc1[O-] ZINC000490654531 339836680 /nfs/dbraw/zinc/83/66/80/339836680.db2.gz URPODMFLRRTVOR-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM Cc1ccc(F)c(C(=O)Nc2ccccc2[O-])c1Br ZINC000494808048 339960919 /nfs/dbraw/zinc/96/09/19/339960919.db2.gz BYCKPRWZKBGHFG-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCc1c(NCc2nc(C)ccc2[O-])cnn1CCC(C)C ZINC000494846020 339962228 /nfs/dbraw/zinc/96/22/28/339962228.db2.gz CGBGCZPMAHVDAT-UHFFFAOYSA-N -1 3 302.422 3.513 20 0 DHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cc(F)ccc1[O-] ZINC000499980202 340048075 /nfs/dbraw/zinc/04/80/75/340048075.db2.gz QCQYZVBKTDFGEW-GFCCVEGCSA-N -1 3 324.355 3.897 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[O-] ZINC000499993855 340048325 /nfs/dbraw/zinc/04/83/25/340048325.db2.gz WKDMIWSMVYGNJT-HNNXBMFYSA-N -1 3 315.800 3.984 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000500047346 340049249 /nfs/dbraw/zinc/04/92/49/340049249.db2.gz HWROXGWCPVEJOX-KXUCPTDWSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)ccc1[O-] ZINC000500099744 340050111 /nfs/dbraw/zinc/05/01/11/340050111.db2.gz CFZPHTMMATZWAY-AWEZNQCLSA-N -1 3 315.335 3.942 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000500100300 340050242 /nfs/dbraw/zinc/05/02/42/340050242.db2.gz RXCMWDMTOYRVLQ-GBIKHYSHSA-N -1 3 319.829 3.582 20 0 DHADHM Cc1coc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000500174840 340052050 /nfs/dbraw/zinc/05/20/50/340052050.db2.gz WSSGCBWEOIBNGU-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500443529 340058911 /nfs/dbraw/zinc/05/89/11/340058911.db2.gz ZCUPOCPNWCZIGX-VXGBXAGGSA-N -1 3 324.471 3.523 20 0 DHADHM CC[C@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1ccccc1 ZINC000500929649 340070351 /nfs/dbraw/zinc/07/03/51/340070351.db2.gz YPDHDICEYMNFTP-ZDUSSCGKSA-N -1 3 324.359 3.743 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)c1 ZINC000501841106 340089702 /nfs/dbraw/zinc/08/97/02/340089702.db2.gz LYMJRVNQUZDIJW-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM COc1cccc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000501947409 340091308 /nfs/dbraw/zinc/09/13/08/340091308.db2.gz KXBRGGLAECMPMN-UHFFFAOYSA-N -1 3 313.397 3.880 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCc2cncc(F)c2)c([O-])c1 ZINC000501975845 340091830 /nfs/dbraw/zinc/09/18/30/340091830.db2.gz KMHJOYAXAKDNJC-UHFFFAOYSA-N -1 3 316.376 3.795 20 0 DHADHM Cc1ccc(CCC(=O)N2CCCc3cccc([O-])c32)c(C)c1 ZINC000501992633 340092147 /nfs/dbraw/zinc/09/21/47/340092147.db2.gz YNNCBQFPILOHFG-UHFFFAOYSA-N -1 3 309.409 3.921 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000503011622 340118715 /nfs/dbraw/zinc/11/87/15/340118715.db2.gz CXQSCTGDRAZGPW-UHFFFAOYSA-N -1 3 312.348 3.544 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000503011622 340118716 /nfs/dbraw/zinc/11/87/16/340118716.db2.gz CXQSCTGDRAZGPW-UHFFFAOYSA-N -1 3 312.348 3.544 20 0 DHADHM CCCCN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000503011622 340118717 /nfs/dbraw/zinc/11/87/17/340118717.db2.gz CXQSCTGDRAZGPW-UHFFFAOYSA-N -1 3 312.348 3.544 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(C1)CCCCC2 ZINC000503165842 340122505 /nfs/dbraw/zinc/12/25/05/340122505.db2.gz CRYWVTCBRLBDJL-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000505333790 340166341 /nfs/dbraw/zinc/16/63/41/340166341.db2.gz RNDUYOAMXYOJCR-SECBINFHSA-N -1 3 309.287 3.942 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000506243467 340189698 /nfs/dbraw/zinc/18/96/98/340189698.db2.gz LOQBNYHNDWERJP-UHFFFAOYSA-N -1 3 301.342 3.738 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3c4ccccc4[nH]c3C2)c1F ZINC000508837314 340254034 /nfs/dbraw/zinc/25/40/34/340254034.db2.gz LMEIJYKHLMJRJO-UHFFFAOYSA-N -1 3 314.335 3.710 20 0 DHADHM CC[C@H](CNC(=O)c1cccc([O-])c1)Oc1cccc(Cl)c1 ZINC000509002745 340257762 /nfs/dbraw/zinc/25/77/62/340257762.db2.gz UXVXNHHTQJJZQE-OAHLLOKOSA-N -1 3 319.788 3.633 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2ccc(Cl)cc21 ZINC000509029668 340258757 /nfs/dbraw/zinc/25/87/57/340258757.db2.gz GLLSAEQFNYUGJR-UHFFFAOYSA-N -1 3 322.191 3.831 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]1C1CCCC1 ZINC000509093334 340261075 /nfs/dbraw/zinc/26/10/75/340261075.db2.gz HVYOYTVNCRZNKX-INIZCTEOSA-N -1 3 307.821 3.769 20 0 DHADHM COc1cc(C(=O)NC[C@H](c2ccccc2)C(C)C)ccc1[O-] ZINC000509769191 340278713 /nfs/dbraw/zinc/27/87/13/340278713.db2.gz BSVWMWOOHPCFEI-INIZCTEOSA-N -1 3 313.397 3.570 20 0 DHADHM COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1[O-] ZINC000509905441 340282365 /nfs/dbraw/zinc/28/23/65/340282365.db2.gz UEJVOERFEMLIRE-AEGPPILISA-N -1 3 305.418 3.591 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccccc2C(F)(F)F)c1F ZINC000510341359 340296361 /nfs/dbraw/zinc/29/63/61/340296361.db2.gz XQOPJRFQPFLHIF-UHFFFAOYSA-N -1 3 317.257 3.979 20 0 DHADHM Cc1ccccc1O[C@@H](C)CNCc1c(F)ccc([O-])c1F ZINC000511356938 340325730 /nfs/dbraw/zinc/32/57/30/340325730.db2.gz DQTFAPCNTJCYNE-LBPRGKRZSA-N -1 3 307.340 3.536 20 0 DHADHM Cc1ccccc1O[C@H](C)CNCc1c(F)ccc([O-])c1F ZINC000511356911 340325738 /nfs/dbraw/zinc/32/57/38/340325738.db2.gz DQTFAPCNTJCYNE-GFCCVEGCSA-N -1 3 307.340 3.536 20 0 DHADHM C[C@H](CNCc1c(F)ccc([O-])c1F)Sc1ccccc1 ZINC000511431969 340327212 /nfs/dbraw/zinc/32/72/12/340327212.db2.gz VMEMCVFBLNTOJN-LLVKDONJSA-N -1 3 309.381 3.941 20 0 DHADHM CCOc1cc(C)ccc1CNCc1c(F)ccc([O-])c1F ZINC000511605719 340332087 /nfs/dbraw/zinc/33/20/87/340332087.db2.gz RMDRJTAZPBTKPN-UHFFFAOYSA-N -1 3 307.340 3.667 20 0 DHADHM CCC(CC)c1cc(CNC(=O)c2cc(C)ccc2[O-])on1 ZINC000304097765 340360246 /nfs/dbraw/zinc/36/02/46/340360246.db2.gz XVQJUQPZESYTLA-UHFFFAOYSA-N -1 3 302.374 3.522 20 0 DHADHM C[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000512504001 340364536 /nfs/dbraw/zinc/36/45/36/340364536.db2.gz NNHOZUSNKMCBRP-NSHDSACASA-N -1 3 316.380 3.766 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3C)C2)c1 ZINC000512513366 340364867 /nfs/dbraw/zinc/36/48/67/340364867.db2.gz CGMOUWMBNFJPFV-INIZCTEOSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1ccc(-c2nc([N-]C(=O)c3sccc3Cl)n[nH]2)cc1 ZINC000512690222 340373282 /nfs/dbraw/zinc/37/32/82/340373282.db2.gz LVPJMGKVLPZLEF-UHFFFAOYSA-N -1 3 318.789 3.747 20 0 DHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)CC2(CCCC2)O1 ZINC000513056327 340391236 /nfs/dbraw/zinc/39/12/36/340391236.db2.gz IOKKOOUFRCARHG-UHFFFAOYSA-N -1 3 311.372 3.594 20 0 DHADHM Cc1ccc(F)c([N-]C(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000177488001 340441041 /nfs/dbraw/zinc/44/10/41/340441041.db2.gz XTEJYIFVVMCXLT-UHFFFAOYSA-N -1 3 301.214 3.943 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1)c1c(F)c(F)cc(F)c1F ZINC000177492006 340441137 /nfs/dbraw/zinc/44/11/37/340441137.db2.gz ANYYBAJTPRIJFI-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(c3ccccc3C)CCC2)c1[O-] ZINC000517031466 340462145 /nfs/dbraw/zinc/46/21/45/340462145.db2.gz HFIUMZDLBNKSPW-UHFFFAOYSA-N -1 3 323.392 3.964 20 0 DHADHM Cc1ccc(OCCC(=O)Nc2ccc([O-])cc2F)cc1C ZINC000183261695 340487253 /nfs/dbraw/zinc/48/72/53/340487253.db2.gz JDVBVZLMRHXSOA-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184494914 340493328 /nfs/dbraw/zinc/49/33/28/340493328.db2.gz JMEKKHIJBHLOQW-VHSXEESVSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1ccc(OCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186334509 340511404 /nfs/dbraw/zinc/51/14/04/340511404.db2.gz UGOJNMYEEVGBHG-CQSZACIVSA-N -1 3 311.381 3.620 20 0 DHADHM COc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(OC(C)C)c1 ZINC000190004737 340541842 /nfs/dbraw/zinc/54/18/42/340541842.db2.gz NGEOLGHEAYVIKV-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)C(C)(C)C)nc2)n1 ZINC000523658541 340631220 /nfs/dbraw/zinc/63/12/20/340631220.db2.gz YEYHIAPZKVOMCO-GFCCVEGCSA-N -1 3 314.433 3.677 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000236605998 340662975 /nfs/dbraw/zinc/66/29/75/340662975.db2.gz PDPRQCGHJLAHDN-ZDUSSCGKSA-N -1 3 301.773 3.675 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000528958389 340740754 /nfs/dbraw/zinc/74/07/54/340740754.db2.gz HRVDCTUQWMARBN-JOYOIKCWSA-N -1 3 312.207 3.558 20 0 DHADHM Cc1scnc1NC(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000529135569 340745822 /nfs/dbraw/zinc/74/58/22/340745822.db2.gz CXQBGROHDWXTAK-UHFFFAOYSA-N -1 3 321.402 3.726 20 0 DHADHM CCOc1cc(CNc2cccc3c2OCC3)cc(Cl)c1[O-] ZINC000529641766 340766220 /nfs/dbraw/zinc/76/62/20/340766220.db2.gz QHAYNQMFZVIPGN-UHFFFAOYSA-N -1 3 319.788 3.991 20 0 DHADHM CCc1cc(C(=O)N[C@H](c2ccccn2)C2CCC2)ccc1[O-] ZINC000529830932 340770860 /nfs/dbraw/zinc/77/08/60/340770860.db2.gz KKLABZATTSEQQB-SFHVURJKSA-N -1 3 310.397 3.621 20 0 DHADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1ccccc1[O-] ZINC000529951345 340774766 /nfs/dbraw/zinc/77/47/66/340774766.db2.gz ZBKXGCPDFPNJRJ-MRXNPFEDSA-N -1 3 313.372 3.940 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000530319633 340787367 /nfs/dbraw/zinc/78/73/67/340787367.db2.gz KBWFEWVSFKOHCU-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM Cc1ccc(Cl)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000123554854 340791852 /nfs/dbraw/zinc/79/18/52/340791852.db2.gz XVAHRWBSJMDKDX-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)o1 ZINC000539106848 340873655 /nfs/dbraw/zinc/87/36/55/340873655.db2.gz CIZPXKMDOGFQBL-HNNXBMFYSA-N -1 3 307.415 3.654 20 0 DHADHM CS[C@@H](C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000539110431 340873888 /nfs/dbraw/zinc/87/38/88/340873888.db2.gz IKDXIWNOQWWKGO-QMMMGPOBSA-N -1 3 318.236 3.625 20 0 DHADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc([O-])c3F)cc21 ZINC000128421699 340884234 /nfs/dbraw/zinc/88/42/34/340884234.db2.gz YYXRVNDWKDSTRV-UHFFFAOYSA-N -1 3 302.280 3.712 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000128665199 340903784 /nfs/dbraw/zinc/90/37/84/340903784.db2.gz ZDJMHIGPXOSPNU-IUCAKERBSA-N -1 3 307.271 3.552 20 0 DHADHM CCOc1ccc(OC)cc1NC(=O)c1cccc(CC)c1[O-] ZINC000539889202 340908440 /nfs/dbraw/zinc/90/84/40/340908440.db2.gz AJKPWCZAHNQSED-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(F)cc1F ZINC000129776368 340986011 /nfs/dbraw/zinc/98/60/11/340986011.db2.gz WCNBSNCEVBKJOW-VIFPVBQESA-N -1 3 309.287 3.942 20 0 DHADHM CC(C)[C@H](C(=O)Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000543095257 341031719 /nfs/dbraw/zinc/03/17/19/341031719.db2.gz LRVHEAGMZYDNEO-AWEZNQCLSA-N -1 3 304.777 3.819 20 0 DHADHM O=C([N-]c1ccncc1F)c1csc(-c2cccs2)n1 ZINC000132288704 341120101 /nfs/dbraw/zinc/12/01/01/341120101.db2.gz UJUKULSLTWVCHW-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1Br ZINC000132567046 341127489 /nfs/dbraw/zinc/12/74/89/341127489.db2.gz KICNJVQPFUSVQQ-ZDUSSCGKSA-N -1 3 314.223 3.524 20 0 DHADHM Cc1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c([O-])c1 ZINC000545799470 341141532 /nfs/dbraw/zinc/14/15/32/341141532.db2.gz VPUSTMCVPXCIOL-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM Cc1cc(Br)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000545942684 341147613 /nfs/dbraw/zinc/14/76/13/341147613.db2.gz GIIACFBXBIUCHA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1Cl ZINC000075082065 341163907 /nfs/dbraw/zinc/16/39/07/341163907.db2.gz DCNZURAYZLKTOS-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c([O-])c1C ZINC000546402190 341166781 /nfs/dbraw/zinc/16/67/81/341166781.db2.gz OCIWKBBZLNOLFX-CQSZACIVSA-N -1 3 322.364 3.973 20 0 DHADHM [O-]c1c(-c2nc(COC3CCCC3)no2)ccc2c1CCCC2 ZINC000546476915 341170124 /nfs/dbraw/zinc/17/01/24/341170124.db2.gz ABSXVIUITHTAGR-UHFFFAOYSA-N -1 3 314.385 3.780 20 0 DHADHM c1ccc(-c2nc(SCc3ccc4ncccc4c3)n[n-]2)nc1 ZINC000546727961 341180615 /nfs/dbraw/zinc/18/06/15/341180615.db2.gz CRLXNXWNMQZKHW-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(C)c(OC)c3)no2)c1[O-] ZINC000546986032 341190027 /nfs/dbraw/zinc/19/00/27/341190027.db2.gz DHSKBNBLZBSPCD-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM CCc1cccc(-c2nc(Cc3cccc(OC)c3)no2)c1[O-] ZINC000546997302 341190658 /nfs/dbraw/zinc/19/06/58/341190658.db2.gz HYEOGQHGEYEKMP-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM O=C(NCCCC1CC1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000547652035 341225302 /nfs/dbraw/zinc/22/53/02/341225302.db2.gz XZKBDBLLJQPXGE-UHFFFAOYSA-N -1 3 309.822 3.712 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000547839155 341236739 /nfs/dbraw/zinc/23/67/39/341236739.db2.gz KFPPCQVBYSCUFC-MFKMUULPSA-N -1 3 315.335 3.758 20 0 DHADHM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000135387554 341238302 /nfs/dbraw/zinc/23/83/02/341238302.db2.gz DARKIBFXFAGZET-UHFFFAOYSA-N -1 3 317.410 3.697 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 ZINC000078271106 341239320 /nfs/dbraw/zinc/23/93/20/341239320.db2.gz CIARUCIDUVDSCB-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM CSc1nsc([N-]C(=O)c2cc3ccccc3s2)n1 ZINC000078387284 341241347 /nfs/dbraw/zinc/24/13/47/341241347.db2.gz DIWMILKKWNXRLY-UHFFFAOYSA-N -1 3 307.425 3.727 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000136123176 341253072 /nfs/dbraw/zinc/25/30/72/341253072.db2.gz ZNJQLBCCJIDUKF-UWVGGRQHSA-N -1 3 305.271 3.839 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000136123137 341253097 /nfs/dbraw/zinc/25/30/97/341253097.db2.gz ZNJQLBCCJIDUKF-ZJUUUORDSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1cc(N(C)C)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136168893 341254268 /nfs/dbraw/zinc/25/42/68/341254268.db2.gz UREPGBMJQSWNLN-UHFFFAOYSA-N -1 3 318.804 3.601 20 0 DHADHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136274554 341256094 /nfs/dbraw/zinc/25/60/94/341256094.db2.gz LWRHKPLBFKAOIP-ADLMAVQZSA-N -1 3 315.800 3.638 20 0 DHADHM Cc1ccccc1Cc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000548597380 341266483 /nfs/dbraw/zinc/26/64/83/341266483.db2.gz JYVWFENNAUMABT-UHFFFAOYSA-N -1 3 314.772 3.919 20 0 DHADHM CC(C)OCCS(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000080782625 341274851 /nfs/dbraw/zinc/27/48/51/341274851.db2.gz REKQIGVYAZRAGH-UHFFFAOYSA-N -1 3 319.426 3.520 20 0 DHADHM Cc1ccc2c(COc3nc(C(C)(C)C)no3)ccc([O-])c2n1 ZINC000548846825 341277808 /nfs/dbraw/zinc/27/78/08/341277808.db2.gz WXNCBUWMRLIWGS-UHFFFAOYSA-N -1 3 313.357 3.508 20 0 DHADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000549120083 341286334 /nfs/dbraw/zinc/28/63/34/341286334.db2.gz VHXGWHLPGZMTPR-UHFFFAOYSA-N -1 3 321.314 3.559 20 0 DHADHM CCc1coc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n1 ZINC000549688182 341300706 /nfs/dbraw/zinc/30/07/06/341300706.db2.gz OXZSMSUZPRMHJO-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)c2ccccc2n1 ZINC000550202202 341312376 /nfs/dbraw/zinc/31/23/76/341312376.db2.gz SBCGNWHSUNKREE-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(Oc2ccc(Cl)cc2)CC1 ZINC000550701158 341321689 /nfs/dbraw/zinc/32/16/89/341321689.db2.gz KRIGQDGPXXMRAO-UHFFFAOYSA-N -1 3 321.735 3.735 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2cc(Br)ccc2[O-])o1 ZINC000085586033 341371060 /nfs/dbraw/zinc/37/10/60/341371060.db2.gz OQCJVERKNHHSND-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM CCC[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccn1 ZINC000552287085 341384342 /nfs/dbraw/zinc/38/43/42/341384342.db2.gz HPNZOXZDJIAVSF-AWEZNQCLSA-N -1 3 312.369 3.512 20 0 DHADHM CCc1ccccc1OCCC(=O)Nc1cccc([O-])c1F ZINC000552411836 341392245 /nfs/dbraw/zinc/39/22/45/341392245.db2.gz WGZNGESSZURPBX-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CCO[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000142497466 341394049 /nfs/dbraw/zinc/39/40/49/341394049.db2.gz WWNZXCOBVSDJNA-OAHLLOKOSA-N -1 3 305.761 3.762 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1[O-] ZINC000553257281 341422262 /nfs/dbraw/zinc/42/22/62/341422262.db2.gz YQPHOLFOXRSUDD-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM CC=Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000554781381 341463652 /nfs/dbraw/zinc/46/36/52/341463652.db2.gz XKRXQGHOKOXEMY-IHWYPQMZSA-N -1 3 309.291 3.846 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1coc2cc(F)ccc21 ZINC000555345795 341480889 /nfs/dbraw/zinc/48/08/89/341480889.db2.gz ZKVQDXUIBPFOOB-UHFFFAOYSA-N -1 3 303.318 3.553 20 0 DHADHM O=C([O-])CC1(CN2Cc3ccccc3-c3ccccc3C2)CC1 ZINC000567055365 341577035 /nfs/dbraw/zinc/57/70/35/341577035.db2.gz YBLUBBNXNSMPGT-UHFFFAOYSA-N -1 3 307.393 3.924 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000156717030 341625615 /nfs/dbraw/zinc/62/56/15/341625615.db2.gz XCWWSHOWXSIHPH-UHFFFAOYSA-N -1 3 300.289 3.998 20 0 DHADHM CCc1cccc2c1N(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000573062922 341715674 /nfs/dbraw/zinc/71/56/74/341715674.db2.gz NGKPYFRQVGAMRY-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM O=C(CCCOCCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174878416 341832597 /nfs/dbraw/zinc/83/25/97/341832597.db2.gz PYQGTGZFPVYVFA-UHFFFAOYSA-N -1 3 317.360 3.509 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])C1(c2cccc(F)c2)CCC1 ZINC000175424325 341838509 /nfs/dbraw/zinc/83/85/09/341838509.db2.gz MCJWREXXSKHJBO-UHFFFAOYSA-N -1 3 303.308 3.731 20 0 DHADHM Cn1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1C(F)F ZINC000576650733 341857239 /nfs/dbraw/zinc/85/72/39/341857239.db2.gz WHKKNBOABCPBPF-UHFFFAOYSA-N -1 3 323.343 3.613 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000577140031 341889828 /nfs/dbraw/zinc/88/98/28/341889828.db2.gz OQDIXEZGMUDKDJ-NHYWBVRUSA-N -1 3 317.335 3.519 20 0 DHADHM O=C([O-])c1ccc(Cl)c(CN2CCc3ccccc3CC2)c1 ZINC000577500830 341913397 /nfs/dbraw/zinc/91/33/97/341913397.db2.gz ZWJMYIOUTHKCQH-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM CC(C)CC[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188973757 519691065 /nfs/dbraw/zinc/69/10/65/519691065.db2.gz UUPAAPUVMCYBRH-JTQLQIEISA-N -1 3 303.324 3.966 20 0 DHADHM CC(C)Oc1ccc(NC([O-])=NOCCC(F)(F)F)c(F)c1 ZINC000156958056 519780808 /nfs/dbraw/zinc/78/08/08/519780808.db2.gz CRKKRLBPZQUKDG-UHFFFAOYSA-N -1 3 324.274 3.618 20 0 DHADHM CC(C)Oc1ccc(NC(=O)[N-]OCCC(F)(F)F)c(F)c1 ZINC000156958056 519780809 /nfs/dbraw/zinc/78/08/09/519780809.db2.gz CRKKRLBPZQUKDG-UHFFFAOYSA-N -1 3 324.274 3.618 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000266580465 519834631 /nfs/dbraw/zinc/83/46/31/519834631.db2.gz QQVOCOGCFSSTIR-UHFFFAOYSA-N -1 3 315.335 3.930 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000338410519 519856795 /nfs/dbraw/zinc/85/67/95/519856795.db2.gz JOGSTMJCGNLUGD-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000155792593 521069510 /nfs/dbraw/zinc/06/95/10/521069510.db2.gz QUVRNJIMAFIOMM-SUMWQHHRSA-N -1 3 312.413 3.569 20 0 DHADHM CCC(CC)(CNC(=O)c1c[n-]c2ccccc2c1=O)SC ZINC000266352733 521439101 /nfs/dbraw/zinc/43/91/01/521439101.db2.gz NTTNUQASCRTJAY-UHFFFAOYSA-N -1 3 318.442 3.592 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000284313815 534616922 /nfs/dbraw/zinc/61/69/22/534616922.db2.gz SOZKUVCAMHGTIM-GFCCVEGCSA-N -1 3 301.789 3.848 20 0 DHADHM CC[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000103520075 522483870 /nfs/dbraw/zinc/48/38/70/522483870.db2.gz MQMKLFGTIODMHE-LBPRGKRZSA-N -1 3 310.357 3.587 20 0 DHADHM CC[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000103520075 522483881 /nfs/dbraw/zinc/48/38/81/522483881.db2.gz MQMKLFGTIODMHE-LBPRGKRZSA-N -1 3 310.357 3.587 20 0 DHADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000103520075 522483891 /nfs/dbraw/zinc/48/38/91/522483891.db2.gz MQMKLFGTIODMHE-LBPRGKRZSA-N -1 3 310.357 3.587 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cnccc1Oc1ccccc1 ZINC000337111328 522875559 /nfs/dbraw/zinc/87/55/59/522875559.db2.gz WAVUSLVRJLMIHD-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc3ccccc32)n1 ZINC000181654484 523835961 /nfs/dbraw/zinc/83/59/61/523835961.db2.gz SWNVLYHKDLMRDS-CYBMUJFWSA-N -1 3 307.397 3.749 20 0 DHADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188422936 524141063 /nfs/dbraw/zinc/14/10/63/524141063.db2.gz AXOLDJZCYJGMAE-RNCFNFMXSA-N -1 3 301.308 3.720 20 0 DHADHM Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000365692439 524954722 /nfs/dbraw/zinc/95/47/22/524954722.db2.gz QMLXKFKAMUVQMN-HNNXBMFYSA-N -1 3 317.772 3.608 20 0 DHADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c2cccnc12 ZINC000339238514 525231025 /nfs/dbraw/zinc/23/10/25/525231025.db2.gz UFLSVJKAAIOBOG-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c2cccnc12 ZINC000339238514 525231031 /nfs/dbraw/zinc/23/10/31/525231031.db2.gz UFLSVJKAAIOBOG-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccccc2Oc2ccncc2)n1 ZINC000338210056 525360450 /nfs/dbraw/zinc/36/04/50/525360450.db2.gz AABWRMMUGUROJF-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccccc1F ZINC000117113358 526000392 /nfs/dbraw/zinc/00/03/92/526000392.db2.gz BZGZGQUBFMCGKZ-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188422955 526257965 /nfs/dbraw/zinc/25/79/65/526257965.db2.gz AXOLDJZCYJGMAE-ZANVPECISA-N -1 3 301.308 3.720 20 0 DHADHM [O-]c1ccc(Br)c(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127413085 526340837 /nfs/dbraw/zinc/34/08/37/526340837.db2.gz RJWQSIQRIYMSEO-OAHLLOKOSA-N -1 3 321.218 3.820 20 0 DHADHM c1c2ccccc2sc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000181802289 526403793 /nfs/dbraw/zinc/40/37/93/526403793.db2.gz OXTJZXLTVDZNNO-GFCCVEGCSA-N -1 3 301.371 3.748 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4C[C@H]4c4ccccc4)no3)n[n-]2)c1 ZINC000338074339 526561299 /nfs/dbraw/zinc/56/12/99/526561299.db2.gz QHQFEGOYWOYWFF-STQMWFEESA-N -1 3 318.336 3.991 20 0 DHADHM c1coc(-c2cc(-c3nc([C@H]4C[C@H]4c4ccccc4)no3)[n-]n2)c1 ZINC000338074339 526561302 /nfs/dbraw/zinc/56/13/02/526561302.db2.gz QHQFEGOYWOYWFF-STQMWFEESA-N -1 3 318.336 3.991 20 0 DHADHM Cc1nc(-c2ccc(NC(=O)[N-]OCC(C)C)cc2)cs1 ZINC000158669121 526577307 /nfs/dbraw/zinc/57/73/07/526577307.db2.gz FODYJQJJHSOBQL-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(C)no2)sc1-c1ccc(F)cc1 ZINC000102335861 526639283 /nfs/dbraw/zinc/63/92/83/526639283.db2.gz QTHUWIRKQMDVFF-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000267379001 527127265 /nfs/dbraw/zinc/12/72/65/527127265.db2.gz UHIVOXZKINSJQF-IUCAKERBSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1ncc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)s1 ZINC000337310063 527298905 /nfs/dbraw/zinc/29/89/05/527298905.db2.gz ZVYQAIKWABQOJH-UHFFFAOYSA-N -1 3 318.789 3.747 20 0 DHADHM Cc1ncc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)s1 ZINC000337310063 527298910 /nfs/dbraw/zinc/29/89/10/527298910.db2.gz ZVYQAIKWABQOJH-UHFFFAOYSA-N -1 3 318.789 3.747 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000364993120 527364392 /nfs/dbraw/zinc/36/43/92/527364392.db2.gz WZDIMCYLNRQJJI-SNVBAGLBSA-N -1 3 321.735 3.690 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339302866 527503155 /nfs/dbraw/zinc/50/31/55/527503155.db2.gz RACIWGXDKPFYTL-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339302866 527503156 /nfs/dbraw/zinc/50/31/56/527503156.db2.gz RACIWGXDKPFYTL-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339302866 527503158 /nfs/dbraw/zinc/50/31/58/527503158.db2.gz RACIWGXDKPFYTL-RWMBFGLXSA-N -1 3 314.389 3.610 20 0 DHADHM O=C([O-])CCCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000181574003 527581648 /nfs/dbraw/zinc/58/16/48/527581648.db2.gz WAQMCJOUEHNERW-UHFFFAOYSA-N -1 3 311.372 3.964 20 0 DHADHM COCc1cc(C(=O)[N-]c2ncc(C3CCCCC3)s2)no1 ZINC000273059295 536704030 /nfs/dbraw/zinc/70/40/30/536704030.db2.gz ZSGKPDIAIXWUKN-UHFFFAOYSA-N -1 3 321.402 3.578 20 0 DHADHM COc1cc(C(=O)N2CCC[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000272564881 536886077 /nfs/dbraw/zinc/88/60/77/536886077.db2.gz BAJHKICEUXYPRM-HNNXBMFYSA-N -1 3 315.344 3.517 20 0 DHADHM c1ccc2cc(CSc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000738442882 598825277 /nfs/dbraw/zinc/82/52/77/598825277.db2.gz RLDJNRAWYLCQGK-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2cc(CSc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000738442882 598825278 /nfs/dbraw/zinc/82/52/78/598825278.db2.gz RLDJNRAWYLCQGK-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1sc(CNc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000823796550 607311144 /nfs/dbraw/zinc/31/11/44/607311144.db2.gz DCSLGBCEAVTIHN-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1sc(CNc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000823796550 607311145 /nfs/dbraw/zinc/31/11/45/607311145.db2.gz DCSLGBCEAVTIHN-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM COc1cccc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737140103 599290459 /nfs/dbraw/zinc/29/04/59/599290459.db2.gz CKSLPGRHUNQPST-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737140103 599290462 /nfs/dbraw/zinc/29/04/62/599290462.db2.gz CKSLPGRHUNQPST-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cnc2ccsc2c1 ZINC000820147808 598192517 /nfs/dbraw/zinc/19/25/17/598192517.db2.gz GYYLDOKIDGCORA-NSHDSACASA-N -1 3 312.394 3.845 20 0 DHADHM CCc1nc(C)c([C@@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000820492309 598192736 /nfs/dbraw/zinc/19/27/36/598192736.db2.gz DXQSSVLDPHRDII-SNVBAGLBSA-N -1 3 304.415 3.563 20 0 DHADHM CCc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736689474 598234682 /nfs/dbraw/zinc/23/46/82/598234682.db2.gz XMYKLNAQTCRRJI-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc2ccccc2c1 ZINC000737644771 598242625 /nfs/dbraw/zinc/24/26/25/598242625.db2.gz LTJAPMRSTSMGAJ-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735992323 598506230 /nfs/dbraw/zinc/50/62/30/598506230.db2.gz BYUHPZSENGTQIF-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735992323 598506231 /nfs/dbraw/zinc/50/62/31/598506231.db2.gz BYUHPZSENGTQIF-JTQLQIEISA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000736136171 598630262 /nfs/dbraw/zinc/63/02/62/598630262.db2.gz DNTOWHUJHQZDPB-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000736136171 598630264 /nfs/dbraw/zinc/63/02/64/598630264.db2.gz DNTOWHUJHQZDPB-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Fc1ccc(F)c(SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737661578 598645116 /nfs/dbraw/zinc/64/51/16/598645116.db2.gz ZAMMWRVRNLWSSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(F)c(SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737661578 598645117 /nfs/dbraw/zinc/64/51/17/598645117.db2.gz ZAMMWRVRNLWSSI-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM CCc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000736690817 598651749 /nfs/dbraw/zinc/65/17/49/598651749.db2.gz NHOASNYPTFCVDL-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM CCc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000736690817 598651750 /nfs/dbraw/zinc/65/17/50/598651750.db2.gz NHOASNYPTFCVDL-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM Fc1ccc(CSCCc2cccs2)c(-c2nn[n-]n2)c1 ZINC000737652000 598697338 /nfs/dbraw/zinc/69/73/38/598697338.db2.gz ZYPNBTWCVSRBPH-UHFFFAOYSA-N -1 3 320.418 3.543 20 0 DHADHM Fc1ccc(CSCCc2cccs2)c(-c2nnn[n-]2)c1 ZINC000737652000 598697335 /nfs/dbraw/zinc/69/73/35/598697335.db2.gz ZYPNBTWCVSRBPH-UHFFFAOYSA-N -1 3 320.418 3.543 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC000737418503 598774686 /nfs/dbraw/zinc/77/46/86/598774686.db2.gz BPQQQAMQUFGOAB-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC000737418503 598774688 /nfs/dbraw/zinc/77/46/88/598774688.db2.gz BPQQQAMQUFGOAB-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Fc1cccc(N[C@H](c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC000737660372 598795986 /nfs/dbraw/zinc/79/59/86/598795986.db2.gz IZOMMKHKXSSDED-QGZVFWFLSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1cccc(N[C@H](c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC000737660372 598795987 /nfs/dbraw/zinc/79/59/87/598795987.db2.gz IZOMMKHKXSSDED-QGZVFWFLSA-N -1 3 323.375 3.959 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000737341440 599412163 /nfs/dbraw/zinc/41/21/63/599412163.db2.gz HQGQAMHZCGLFCR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000737341440 599412162 /nfs/dbraw/zinc/41/21/62/599412162.db2.gz HQGQAMHZCGLFCR-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820455353 599470782 /nfs/dbraw/zinc/47/07/82/599470782.db2.gz HNXURMFSEOPZAR-SSDOTTSWSA-N -1 3 323.784 3.894 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820455353 599470784 /nfs/dbraw/zinc/47/07/84/599470784.db2.gz HNXURMFSEOPZAR-SSDOTTSWSA-N -1 3 323.784 3.894 20 0 DHADHM CC[C@@H]1CCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736940272 599773021 /nfs/dbraw/zinc/77/30/21/599773021.db2.gz RTXWCIHLIOCMBR-OAHLLOKOSA-N -1 3 316.426 3.883 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000086725511 600091880 /nfs/dbraw/zinc/09/18/80/600091880.db2.gz FVZIHUWWMJKMJS-LLVKDONJSA-N -1 3 304.415 3.651 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000263511718 600092176 /nfs/dbraw/zinc/09/21/76/600092176.db2.gz YZKLWCIQCRGFAU-NSHDSACASA-N -1 3 304.415 3.651 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(C(=O)[O-])c1)CCC2 ZINC000263468255 600335862 /nfs/dbraw/zinc/33/58/62/600335862.db2.gz KPYGTYHAIFSKPQ-HNNXBMFYSA-N -1 3 316.426 3.659 20 0 DHADHM COc1ccccc1CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738133671 600398097 /nfs/dbraw/zinc/39/80/97/600398097.db2.gz QQZCWBAFBAHHIA-MRXNPFEDSA-N -1 3 319.788 3.606 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000739505657 600428236 /nfs/dbraw/zinc/42/82/36/600428236.db2.gz DOOHNTREBVOWPD-JKSUJKDBSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000739508057 600428354 /nfs/dbraw/zinc/42/83/54/600428354.db2.gz MAMPGGWKAZXGLG-CVEARBPZSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1ccc([C@@H]2CCCCCN2Cc2occc2C(=O)[O-])o1 ZINC000574579026 600441933 /nfs/dbraw/zinc/44/19/33/600441933.db2.gz XAGTVOOMXFBURI-AWEZNQCLSA-N -1 3 303.358 3.997 20 0 DHADHM O=C([O-])[C@@H](NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000738523671 600502535 /nfs/dbraw/zinc/50/25/35/600502535.db2.gz CPCCSNJVPXFRDE-SFHVURJKSA-N -1 3 311.381 3.533 20 0 DHADHM O=C([O-])[C@H](NCCc1ccco1)c1ccc(Cl)cc1Cl ZINC000833165827 600732752 /nfs/dbraw/zinc/73/27/52/600732752.db2.gz LXGPYGHSBXXJIS-CYBMUJFWSA-N -1 3 314.168 3.544 20 0 DHADHM C[C@@H]1C[C@@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000515660337 600831483 /nfs/dbraw/zinc/83/14/83/600831483.db2.gz WNOCHRNVIIPIAJ-VXGBXAGGSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2occc2C(=O)[O-])C1 ZINC000516975502 600836137 /nfs/dbraw/zinc/83/61/37/600836137.db2.gz AHEDWINBIBMECW-ABAIWWIYSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(OCC3CCCCC3)CC2)o1 ZINC000833312492 600837524 /nfs/dbraw/zinc/83/75/24/600837524.db2.gz DCAWUIGALXYVAS-UHFFFAOYSA-N -1 3 321.417 3.539 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2occc2C(=O)[O-])C12CCCCC2 ZINC000520241885 600972780 /nfs/dbraw/zinc/97/27/80/600972780.db2.gz PLBMWWPBTKKPTD-JKSUJKDBSA-N -1 3 321.417 3.538 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCSC2(CCCCC2)C1 ZINC000827927702 601157618 /nfs/dbraw/zinc/15/76/18/601157618.db2.gz AACGYMCDLKZPJH-LBPRGKRZSA-N -1 3 309.431 3.791 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CCCC(=O)[O-] ZINC000262265936 601178293 /nfs/dbraw/zinc/17/82/93/601178293.db2.gz RZHAGYXIIWBRPK-INIZCTEOSA-N -1 3 315.417 3.619 20 0 DHADHM C/C(=C\CN1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000825734429 601318149 /nfs/dbraw/zinc/31/81/49/601318149.db2.gz IYHZJOSERIGUEI-NTUHNPAUSA-N -1 3 310.397 3.596 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1cccs1 ZINC000566359711 601411109 /nfs/dbraw/zinc/41/11/09/601411109.db2.gz WBHMFEZEYVLCLM-LBPRGKRZSA-N -1 3 305.399 3.939 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1coc(-c2ccc(C)cc2)n1 ZINC000828804170 601581830 /nfs/dbraw/zinc/58/18/30/601581830.db2.gz HZQLDBKOGLHFBE-UHFFFAOYSA-N -1 3 316.401 3.773 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccs2)cc1F ZINC000581023300 601614673 /nfs/dbraw/zinc/61/46/73/601614673.db2.gz LYRFGMLGZFABNO-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN[C@H](c1ncccc1C)C(C)C ZINC000832984056 601640593 /nfs/dbraw/zinc/64/05/93/601640593.db2.gz TYPVJFJKSBOLGU-HNNXBMFYSA-N -1 3 318.442 3.945 20 0 DHADHM O=C([O-])c1ccc(CN2CCSC3(CCCCC3)C2)cc1F ZINC000833315174 601658852 /nfs/dbraw/zinc/65/88/52/601658852.db2.gz VMXXRIAQDBXPNQ-UHFFFAOYSA-N -1 3 323.433 3.776 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000584177562 601940319 /nfs/dbraw/zinc/94/03/19/601940319.db2.gz CPILZBMMVYYDPD-LLVKDONJSA-N -1 3 305.399 3.648 20 0 DHADHM O=C([O-])c1ccc(CN2CCS[C@H](c3ccccc3)C2)s1 ZINC000833315132 601958539 /nfs/dbraw/zinc/95/85/39/601958539.db2.gz UJHHSTAHPSRZKQ-HNNXBMFYSA-N -1 3 319.451 3.736 20 0 DHADHM O=C([O-])[C@H](NCc1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000037966682 601970371 /nfs/dbraw/zinc/97/03/71/601970371.db2.gz GBGURZINXPSUGI-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833168695 601980660 /nfs/dbraw/zinc/98/06/60/601980660.db2.gz ZHIRSJAXMFKCGQ-KWQFWETISA-N -1 3 324.154 3.897 20 0 DHADHM C[C@]1(NCc2ccc(NC(=O)[O-])nc2)CCCc2ccccc21 ZINC000825754852 603554552 /nfs/dbraw/zinc/55/45/52/603554552.db2.gz FHHZADYWPFYZPA-SFHVURJKSA-N -1 3 311.385 3.513 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@H](Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000832870563 604384264 /nfs/dbraw/zinc/38/42/64/604384264.db2.gz JZALIBHXWGMQAX-ZFWWWQNUSA-N -1 3 314.385 3.534 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000572729288 604758029 /nfs/dbraw/zinc/75/80/29/604758029.db2.gz WQXYOLNXHOTRJY-ZIAGYGMSSA-N -1 3 311.422 3.630 20 0 DHADHM C[C@]1(NCc2ncc(-c3cccs3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569900 604811915 /nfs/dbraw/zinc/81/19/15/604811915.db2.gz QHPNSMOBAAQQKD-ZBEGNZNMSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@]1(NCc2csc(-c3ccco3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571383 604813644 /nfs/dbraw/zinc/81/36/44/604813644.db2.gz XTHAXILLKBRSRB-WBMJQRKESA-N -1 3 320.414 3.526 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000122813201 604938487 /nfs/dbraw/zinc/93/84/87/604938487.db2.gz DNGORTNXJAYHGR-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000135024571 604943203 /nfs/dbraw/zinc/94/32/03/604943203.db2.gz WBBNJLQFFFGUBN-NSHDSACASA-N -1 3 313.800 3.802 20 0 DHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652498340 604951682 /nfs/dbraw/zinc/95/16/82/604951682.db2.gz FFLGHNGRDGPRCW-STQMWFEESA-N -1 3 322.449 3.856 20 0 DHADHM CC1(C)CC[C@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000828060197 604997017 /nfs/dbraw/zinc/99/70/17/604997017.db2.gz KNDAVLHRCKBEPB-IRXDYDNUSA-N -1 3 310.397 3.610 20 0 DHADHM CCOc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833663476 605067543 /nfs/dbraw/zinc/06/75/43/605067543.db2.gz LGFDZSWHWBPEGW-GFCCVEGCSA-N -1 3 317.360 3.773 20 0 DHADHM O=C([O-])NC1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000834166763 605570075 /nfs/dbraw/zinc/57/00/75/605570075.db2.gz ZDBLONIKCXBQCC-VMBOVVBDSA-N -1 3 314.385 3.537 20 0 DHADHM O=C([O-])Nc1cccc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000834268846 605600274 /nfs/dbraw/zinc/60/02/74/605600274.db2.gz LHWVHZRRVKSPHZ-UHFFFAOYSA-N -1 3 316.323 3.941 20 0 DHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C(=O)[O-] ZINC000833604327 605730909 /nfs/dbraw/zinc/73/09/09/605730909.db2.gz DREYDGYPTQYRFL-ZYHUDNBSSA-N -1 3 301.308 3.548 20 0 DHADHM Cc1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000822280287 606389111 /nfs/dbraw/zinc/38/91/11/606389111.db2.gz JPRMYKTUFXNNFZ-WAYWQWQTSA-N -1 3 319.393 3.955 20 0 DHADHM CCCOc1cc(C)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821127388 606448685 /nfs/dbraw/zinc/44/86/85/606448685.db2.gz GWWRRDRXUGAMOD-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM CCCOc1cc(C)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821127388 606448687 /nfs/dbraw/zinc/44/86/87/606448687.db2.gz GWWRRDRXUGAMOD-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000822350551 606458936 /nfs/dbraw/zinc/45/89/36/606458936.db2.gz DPRHHKQVZFTEGC-MRXNPFEDSA-N -1 3 323.375 3.656 20 0 DHADHM Clc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000822579249 606632892 /nfs/dbraw/zinc/63/28/92/606632892.db2.gz ZHCRXJPYDCJASN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000822579249 606632893 /nfs/dbraw/zinc/63/28/93/606632893.db2.gz ZHCRXJPYDCJASN-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(Cl)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000037102114 606659518 /nfs/dbraw/zinc/65/95/18/606659518.db2.gz ARMSMQPUKQYJEI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(Cl)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000037102114 606659519 /nfs/dbraw/zinc/65/95/19/606659519.db2.gz ARMSMQPUKQYJEI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1csc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822414464 606695143 /nfs/dbraw/zinc/69/51/43/606695143.db2.gz HEFCYARVKFKXOD-JTQLQIEISA-N -1 3 317.443 3.626 20 0 DHADHM Cc1csc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414464 606695144 /nfs/dbraw/zinc/69/51/44/606695144.db2.gz HEFCYARVKFKXOD-JTQLQIEISA-N -1 3 317.443 3.626 20 0 DHADHM CC[C@@H](C)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000820868888 606983896 /nfs/dbraw/zinc/98/38/96/606983896.db2.gz BWVAWTJTWNKCFC-GFCCVEGCSA-N -1 3 324.388 3.512 20 0 DHADHM Fc1ccc(F)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822773996 607007521 /nfs/dbraw/zinc/00/75/21/607007521.db2.gz DPONQCQEKWRCPW-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(F)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822773996 607007523 /nfs/dbraw/zinc/00/75/23/607007523.db2.gz DPONQCQEKWRCPW-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM COc1cccc([C@H](C)Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858895 607012269 /nfs/dbraw/zinc/01/22/69/607012269.db2.gz HZMMWWHHEPIXBQ-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM COc1cccc([C@H](C)Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858895 607012271 /nfs/dbraw/zinc/01/22/71/607012271.db2.gz HZMMWWHHEPIXBQ-NSHDSACASA-N -1 3 312.398 3.729 20 0 DHADHM CCCC[C@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821040511 607241263 /nfs/dbraw/zinc/24/12/63/607241263.db2.gz MKYBCVDLQXXVST-JTQLQIEISA-N -1 3 321.812 3.675 20 0 DHADHM CCCC[C@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821040511 607241264 /nfs/dbraw/zinc/24/12/64/607241264.db2.gz MKYBCVDLQXXVST-JTQLQIEISA-N -1 3 321.812 3.675 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825717081 607784923 /nfs/dbraw/zinc/78/49/23/607784923.db2.gz FOOSKKDKHIOSDT-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825717081 607784924 /nfs/dbraw/zinc/78/49/24/607784924.db2.gz FOOSKKDKHIOSDT-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccc(SCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826304574 608672440 /nfs/dbraw/zinc/67/24/40/608672440.db2.gz QFSILTDRPPOJTP-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(SCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826304574 608672442 /nfs/dbraw/zinc/67/24/42/608672442.db2.gz QFSILTDRPPOJTP-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1oc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826342701 608868648 /nfs/dbraw/zinc/86/86/48/608868648.db2.gz WPGLDYHODWUQTP-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM Cc1cnc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000826317381 608886680 /nfs/dbraw/zinc/88/66/80/608886680.db2.gz APTBOUMIJVARAN-QMMMGPOBSA-N -1 3 321.793 3.670 20 0 DHADHM Cc1cnc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000826317381 608886681 /nfs/dbraw/zinc/88/66/81/608886681.db2.gz APTBOUMIJVARAN-QMMMGPOBSA-N -1 3 321.793 3.670 20 0 DHADHM C[C@@H](Nc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657601 609162141 /nfs/dbraw/zinc/16/21/41/609162141.db2.gz RPMKGUCNKFJDSL-GFCCVEGCSA-N -1 3 305.385 3.529 20 0 DHADHM C[C@@H](Nc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657601 609162143 /nfs/dbraw/zinc/16/21/43/609162143.db2.gz RPMKGUCNKFJDSL-GFCCVEGCSA-N -1 3 305.385 3.529 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC000826291591 609253744 /nfs/dbraw/zinc/25/37/44/609253744.db2.gz MTWWEXUZLTYSOT-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC000826291591 609253746 /nfs/dbraw/zinc/25/37/46/609253746.db2.gz MTWWEXUZLTYSOT-MRXNPFEDSA-N -1 3 323.375 3.804 20 0 DHADHM C[C@@H](Nc1cccc(C(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662770 609277932 /nfs/dbraw/zinc/27/79/32/609277932.db2.gz RPSWNSMWKWNEJE-SNVBAGLBSA-N -1 3 315.327 3.977 20 0 DHADHM C[C@@H](Nc1cccc(C(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662770 609277934 /nfs/dbraw/zinc/27/79/34/609277934.db2.gz RPSWNSMWKWNEJE-SNVBAGLBSA-N -1 3 315.327 3.977 20 0 DHADHM CCOc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825615737 609278266 /nfs/dbraw/zinc/27/82/66/609278266.db2.gz ITSHGAWZTMNFLI-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825615737 609278268 /nfs/dbraw/zinc/27/82/68/609278268.db2.gz ITSHGAWZTMNFLI-CYBMUJFWSA-N -1 3 323.400 3.747 20 0 DHADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826268999 609350019 /nfs/dbraw/zinc/35/00/19/609350019.db2.gz XDEYBRWKLDGHQP-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826268999 609350020 /nfs/dbraw/zinc/35/00/20/609350020.db2.gz 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/nfs/dbraw/zinc/66/90/06/1014669006.db2.gz UHCPHQZMSOGSQA-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000901908118 980621589 /nfs/dbraw/zinc/62/15/89/980621589.db2.gz OJHICPDWDQOPMF-WOPDTQHZSA-N -1 3 304.415 3.684 20 0 DHADHM C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912739 980625125 /nfs/dbraw/zinc/62/51/25/980625125.db2.gz RKCJVZDHTDTFMP-UWVGGRQHSA-N -1 3 324.833 3.777 20 0 DHADHM Cc1sccc1CN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000901932848 980637406 /nfs/dbraw/zinc/63/74/06/980637406.db2.gz XEFBKJFKRDSOOO-UHFFFAOYSA-N -1 3 322.455 3.591 20 0 DHADHM Cc1cc(C)c(/C=C\CN2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000901982242 980660823 /nfs/dbraw/zinc/66/08/23/980660823.db2.gz OWHPDFVOEQBJRG-VGOKWCNXSA-N -1 3 319.470 3.517 20 0 DHADHM CCc1cccc2cc(CN(CC(=O)[O-])C3CCCC3)oc21 ZINC000902038972 980709511 /nfs/dbraw/zinc/70/95/11/980709511.db2.gz WFPJFRCJUSBXPQ-UHFFFAOYSA-N -1 3 301.386 3.824 20 0 DHADHM COc1ccc([C@H](NCc2cc(C)c(C(=O)[O-])o2)C(C)C)cc1 ZINC000902082194 980724643 /nfs/dbraw/zinc/72/46/43/980724643.db2.gz PWEAKKYBOSTZHK-MRXNPFEDSA-N -1 3 317.385 3.782 20 0 DHADHM O=C([O-])CC1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000902083699 980725135 /nfs/dbraw/zinc/72/51/35/980725135.db2.gz ZRWLPHZRXREBRT-GSQSYGFSSA-N -1 3 313.397 3.992 20 0 DHADHM CCCOc1ccc(CNCc2cc(C(=O)[O-])cs2)cc1 ZINC000902104269 980735984 /nfs/dbraw/zinc/73/59/84/980735984.db2.gz KLMMBNFADVBHPZ-UHFFFAOYSA-N -1 3 305.399 3.525 20 0 DHADHM O=C([O-])c1ccc(-c2ccc(CN3CCC(F)CC3)o2)cc1 ZINC000902125725 980747186 /nfs/dbraw/zinc/74/71/86/980747186.db2.gz SCLDUZLOFQJVGV-UHFFFAOYSA-N -1 3 303.333 3.579 20 0 DHADHM O=C([O-])c1cccc(CN[C@H](c2ccccc2)C2CCCC2)n1 ZINC000902145480 980755971 /nfs/dbraw/zinc/75/59/71/980755971.db2.gz AESPFGDRSANLSP-GOSISDBHSA-N -1 3 310.397 3.801 20 0 DHADHM Cc1cccc(C2(NCc3cccc(C(=O)[O-])n3)CCCC2)c1 ZINC000902217392 980787301 /nfs/dbraw/zinc/78/73/01/980787301.db2.gz FFWUUTNZQUOQQL-UHFFFAOYSA-N -1 3 310.397 3.647 20 0 DHADHM CCOCC(C)(C)NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902270015 980810020 /nfs/dbraw/zinc/81/00/20/980810020.db2.gz QJEGXYPYNHCYAN-UHFFFAOYSA-N -1 3 317.385 3.550 20 0 DHADHM Cc1cc(CN[C@H](C)CSc2ccc(C)cc2)oc1C(=O)[O-] ZINC000902331865 980836476 /nfs/dbraw/zinc/83/64/76/980836476.db2.gz IDEIVNCHJLWXCG-CYBMUJFWSA-N -1 3 319.426 3.865 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000903683368 981012822 /nfs/dbraw/zinc/01/28/22/981012822.db2.gz LQXHDHHMSNWEHC-JTQLQIEISA-N -1 3 321.446 3.557 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000903897961 981027479 /nfs/dbraw/zinc/02/74/79/981027479.db2.gz LUIPMVMGAWVPBP-AOOOYVTPSA-N -1 3 312.207 3.520 20 0 DHADHM O=C([O-])c1ccc(Br)c(CN2CCCC23CCC3)c1 ZINC000903914967 981035870 /nfs/dbraw/zinc/03/58/70/981035870.db2.gz JISVGDMKLZUFKE-UHFFFAOYSA-N -1 3 324.218 3.666 20 0 DHADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153507893 1014707534 /nfs/dbraw/zinc/70/75/34/1014707534.db2.gz ADVNJTCUQRQPQB-UHFFFAOYSA-N -1 3 319.788 3.971 20 0 DHADHM O=C([O-])c1ccc(CN[C@H](c2ccccc2)C2CCCC2)nc1 ZINC000905720189 981122670 /nfs/dbraw/zinc/12/26/70/981122670.db2.gz XPEQDBWTPIAFES-GOSISDBHSA-N -1 3 310.397 3.801 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2nc(C3CC3)cs2)n1 ZINC000581333702 1014713159 /nfs/dbraw/zinc/71/31/59/1014713159.db2.gz RZNZKSGWSBUHIT-UHFFFAOYSA-N -1 3 307.444 3.512 20 0 DHADHM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000521872388 1014821696 /nfs/dbraw/zinc/82/16/96/1014821696.db2.gz HJLQSIZBFNRQHH-UHFFFAOYSA-N -1 3 321.467 3.967 20 0 DHADHM CCCCO[C@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC001595771084 982517756 /nfs/dbraw/zinc/51/77/56/982517756.db2.gz UHVLQNAIXZHNRT-HOTGVXAUSA-N -1 3 323.408 3.597 20 0 DHADHM CCCN(CCc1cccs1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595883868 982903582 /nfs/dbraw/zinc/90/35/82/982903582.db2.gz DPEUUCNSKUKACX-NSHDSACASA-N -1 3 324.471 3.919 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2CC2CC2)CC)n1 ZINC000656613339 1014942923 /nfs/dbraw/zinc/94/29/23/1014942923.db2.gz JBJDIZYPANAVOZ-GXDHUFHOSA-N -1 3 312.417 3.692 20 0 DHADHM CCN(CCC(C)(C)C(=O)[O-])Cc1nc2c(s1)C[C@H](C)CC2 ZINC001596321476 983755679 /nfs/dbraw/zinc/75/56/79/983755679.db2.gz ZXXQXCRZRJBAGJ-GFCCVEGCSA-N -1 3 324.490 3.591 20 0 DHADHM Cn1ccnc1[C@H]([N-]c1nc2cc(F)ccc2o1)c1ccccc1 ZINC000522263668 1014991483 /nfs/dbraw/zinc/99/14/83/1014991483.db2.gz CBRMDMVTNDUIIT-MRXNPFEDSA-N -1 3 322.343 3.902 20 0 DHADHM O=C(NCc1ncccc1[O-])c1cc2c(cccc2Cl)s1 ZINC000684351266 1015094547 /nfs/dbraw/zinc/09/45/47/1015094547.db2.gz ZQSFWOPJJGPYGP-UHFFFAOYSA-N -1 3 318.785 3.585 20 0 DHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000029046196 1015100761 /nfs/dbraw/zinc/10/07/61/1015100761.db2.gz PWIOHGNTGOPRGM-UHFFFAOYSA-N -1 3 323.389 3.661 20 0 DHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(c2ccco2)CC1 ZINC000656756550 1015129857 /nfs/dbraw/zinc/12/98/57/1015129857.db2.gz FWXMJLRCHWECTA-MRXNPFEDSA-N -1 3 319.788 3.938 20 0 DHADHM CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC001596833750 985470940 /nfs/dbraw/zinc/47/09/40/985470940.db2.gz QCTQRQDLYUMGGU-APHBMKBZSA-N -1 3 321.417 3.756 20 0 DHADHM CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656765263 1015138037 /nfs/dbraw/zinc/13/80/37/1015138037.db2.gz NFDFTOVPEGRZDV-SOUVJXGZSA-N -1 3 322.474 3.732 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]34C[C@H]3CCCC4)nc2)n1 ZINC000895427540 1015143121 /nfs/dbraw/zinc/14/31/21/1015143121.db2.gz OBKQUUIEGVFNSJ-KUHUBIRLSA-N -1 3 324.428 3.799 20 0 DHADHM CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656765261 1015138228 /nfs/dbraw/zinc/13/82/28/1015138228.db2.gz NFDFTOVPEGRZDV-KKUMJFAQSA-N -1 3 322.474 3.732 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC000157903585 1015254340 /nfs/dbraw/zinc/25/43/40/1015254340.db2.gz MASLVQZUFVMFEP-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM CCS[C@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001597258653 987270860 /nfs/dbraw/zinc/27/08/60/987270860.db2.gz QMIGQAUEONCAMR-AWEZNQCLSA-N -1 3 311.422 3.632 20 0 DHADHM CCSc1ccc([C@H](C)NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001597272774 987324147 /nfs/dbraw/zinc/32/41/47/987324147.db2.gz MRMDQFRTGZWUER-LBPRGKRZSA-N -1 3 318.442 3.686 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC001589601579 987428692 /nfs/dbraw/zinc/42/86/92/987428692.db2.gz OFKDCINORWDQMP-MRXNPFEDSA-N -1 3 319.351 3.907 20 0 DHADHM CC(C)(C)N(Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC001589796505 988195311 /nfs/dbraw/zinc/19/53/11/988195311.db2.gz RSPCCIFKMYBFPF-UHFFFAOYSA-N -1 3 305.349 3.918 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](CC(F)(F)F)C(C)C ZINC001597767410 989220693 /nfs/dbraw/zinc/22/06/93/989220693.db2.gz MDFDAZWCHQZSDD-SNVBAGLBSA-N -1 3 307.312 3.607 20 0 DHADHM C[C@@H]1C[C@H](C(=O)[O-])CCN1CCc1c(Cl)cccc1Cl ZINC001599878712 989454371 /nfs/dbraw/zinc/45/43/71/989454371.db2.gz HOCVYFLURUIERH-GHMZBOCLSA-N -1 3 316.228 3.721 20 0 DHADHM CC(C)(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590408714 989942703 /nfs/dbraw/zinc/94/27/03/989942703.db2.gz MLOWUPSPAYBQOP-HNNXBMFYSA-N -1 3 319.426 3.841 20 0 DHADHM CN(CCc1ccc(Cl)cc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598500707 992433016 /nfs/dbraw/zinc/43/30/16/992433016.db2.gz UGRSZGKOQQRDLO-CMDGGOBGSA-N -1 3 319.788 3.705 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC001599621078 994083402 /nfs/dbraw/zinc/08/34/02/994083402.db2.gz YLDKFSAEUGLNDR-ABAIWWIYSA-N -1 3 305.399 3.542 20 0 DHADHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cc(O)cc(F)c1 ZINC001593203844 994192009 /nfs/dbraw/zinc/19/20/09/994192009.db2.gz IJQKEHJDMGQMPG-SJCJKPOMSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H]([NH2+][C@@H](CCC(=O)[O-])c1ccccc1)c1cc([O-])cc(F)c1 ZINC001593203844 994192016 /nfs/dbraw/zinc/19/20/16/994192016.db2.gz IJQKEHJDMGQMPG-SJCJKPOMSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cc(C(=O)[O-])co1 ZINC001593219516 994300749 /nfs/dbraw/zinc/30/07/49/994300749.db2.gz LXJQIDXIKHXOAY-NILFDRSVSA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cncs1 ZINC001593220385 994311435 /nfs/dbraw/zinc/31/14/35/994311435.db2.gz RYRLTRLHNDSBJS-HZMBPMFUSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@@H](NCC1(c2ccccc2)CCC1)c1ncc(C(=O)[O-])s1 ZINC001593251931 994501297 /nfs/dbraw/zinc/50/12/97/994501297.db2.gz MDKBQTUZNVDZKH-GFCCVEGCSA-N -1 3 316.426 3.614 20 0 DHADHM C[C@H](NCCCc1ccccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593268161 994592237 /nfs/dbraw/zinc/59/22/37/994592237.db2.gz TUXCYUHMKOFYMR-JTQLQIEISA-N -1 3 324.833 3.778 20 0 DHADHM COc1cccc([C@@H](N[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599659930 994640647 /nfs/dbraw/zinc/64/06/47/994640647.db2.gz QDJPJHPWUTXWPC-MEDUHNTESA-N -1 3 319.788 3.825 20 0 DHADHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593289411 994663688 /nfs/dbraw/zinc/66/36/88/994663688.db2.gz SHNHZNFUSRBHEP-VIFPVBQESA-N -1 3 312.291 3.583 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc2ncsc2c1 ZINC001593296511 994696600 /nfs/dbraw/zinc/69/66/00/994696600.db2.gz NAQLPNJHQXXJNF-VIFPVBQESA-N -1 3 318.423 3.907 20 0 DHADHM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(F)c2ccccc21 ZINC001593304107 994741858 /nfs/dbraw/zinc/74/18/58/994741858.db2.gz IGNJUIXRBPAPBL-GFCCVEGCSA-N -1 3 324.355 3.923 20 0 DHADHM COC[C@H](N[C@@H](C)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC001599174252 996810971 /nfs/dbraw/zinc/81/09/71/996810971.db2.gz UUVYPNFXSWHVSN-KSSFIOAISA-N -1 3 313.397 3.732 20 0 DHADHM COc1cnc(F)c(C(=O)[N-]c2ccccc2SC(C)C)c1 ZINC000846923117 1032139548 /nfs/dbraw/zinc/13/95/48/1032139548.db2.gz PAPPEOHBJXAORG-UHFFFAOYSA-N -1 3 320.389 3.982 20 0 DHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC001599414428 997480173 /nfs/dbraw/zinc/48/01/73/997480173.db2.gz DSQKMFGMZVKXEO-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC001599414427 997480568 /nfs/dbraw/zinc/48/05/68/997480568.db2.gz DSQKMFGMZVKXEO-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc([C@@H](NCc2ccccc2C)C(=O)[O-])cc1Cl ZINC001599532926 997691074 /nfs/dbraw/zinc/69/10/74/997691074.db2.gz XQJIWIMRIVADOE-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1C ZINC001599535966 997744182 /nfs/dbraw/zinc/74/41/82/997744182.db2.gz KQMIPRLGGUQAGO-KBXCAEBGSA-N -1 3 313.397 3.789 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001594426711 999595420 /nfs/dbraw/zinc/59/54/20/999595420.db2.gz NDHUAFAHLXATGZ-PVAVHDDUSA-N -1 3 317.429 3.551 20 0 DHADHM CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cc(F)ccc1F ZINC000622387302 1016385178 /nfs/dbraw/zinc/38/51/78/1016385178.db2.gz RNZWCUAUGPPYFT-HNNXBMFYSA-N -1 3 323.314 3.620 20 0 DHADHM CC(C)c1ccc(C(=O)NCC2(CCO)CCCCC2)c([O-])c1 ZINC000622436378 1016408252 /nfs/dbraw/zinc/40/82/52/1016408252.db2.gz SELUJRRHSCUQFX-UHFFFAOYSA-N -1 3 319.445 3.578 20 0 DHADHM C[C@H](CC(=O)Nc1ncccc1[O-])Cc1ccc(Cl)cc1 ZINC000622505064 1016437154 /nfs/dbraw/zinc/43/71/54/1016437154.db2.gz NBIWQYDYFFOTMY-NSHDSACASA-N -1 3 304.777 3.648 20 0 DHADHM CCc1ccc(C(=O)NCC2(CCOC)CCCCC2)c([O-])c1 ZINC000622522867 1016449899 /nfs/dbraw/zinc/44/98/99/1016449899.db2.gz OEOSTGMRDJUSKM-UHFFFAOYSA-N -1 3 319.445 3.671 20 0 DHADHM Cc1ccc2[nH]c(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC000346586870 1016457458 /nfs/dbraw/zinc/45/74/58/1016457458.db2.gz IJXDEGPKBICAKH-JTQLQIEISA-N -1 3 300.387 3.529 20 0 DHADHM Cc1ccc2nc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)[nH]c2c1 ZINC000346586870 1016457463 /nfs/dbraw/zinc/45/74/63/1016457463.db2.gz IJXDEGPKBICAKH-JTQLQIEISA-N -1 3 300.387 3.529 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000045061522 1016661270 /nfs/dbraw/zinc/66/12/70/1016661270.db2.gz QPYICEXSVDBYBK-CHWSQXEVSA-N -1 3 301.308 3.603 20 0 DHADHM O=c1nc(-c2ccncn2)[n-]c2scc(C3CCCCC3)c21 ZINC000684881863 1016784161 /nfs/dbraw/zinc/78/41/61/1016784161.db2.gz BMWQGORXLYGJCP-UHFFFAOYSA-N -1 3 312.398 3.902 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000347264419 1016833900 /nfs/dbraw/zinc/83/39/00/1016833900.db2.gz JFIXUHYMGPEHJQ-LDYMZIIASA-N -1 3 321.726 3.849 20 0 DHADHM CSc1ccc(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174881869 1016845576 /nfs/dbraw/zinc/84/55/76/1016845576.db2.gz TUUVSYMQCJRSNI-SNVBAGLBSA-N -1 3 321.373 3.659 20 0 DHADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(F)cc(F)c1 ZINC000176679827 1016874163 /nfs/dbraw/zinc/87/41/63/1016874163.db2.gz ILJSLMRMWUXIDI-AATRIKPKSA-N -1 3 313.300 3.517 20 0 DHADHM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000444245482 1016892404 /nfs/dbraw/zinc/89/24/04/1016892404.db2.gz JRTVEXJFXPRZBP-MWLCHTKSSA-N -1 3 309.793 3.626 20 0 DHADHM O=C(CC1CC(c2ccccc2)C1)Nc1n[n-]c(-c2ccco2)n1 ZINC000342667517 1016967309 /nfs/dbraw/zinc/96/73/09/1016967309.db2.gz CDFRRHLPXOUQMJ-UHFFFAOYSA-N -1 3 322.368 3.587 20 0 DHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000361970821 1032178393 /nfs/dbraw/zinc/17/83/93/1032178393.db2.gz AFLIDCLYMNMURL-GUYCJALGSA-N -1 3 312.413 3.569 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456258500 1017238671 /nfs/dbraw/zinc/23/86/71/1017238671.db2.gz QZONTRCDLQWXMZ-PKOBYXMFSA-N -1 3 307.393 3.806 20 0 DHADHM Fc1cc(F)c2c(c1)[C@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000295000383 1032240121 /nfs/dbraw/zinc/24/01/21/1032240121.db2.gz RRWLXSBCGIIVLW-SNVBAGLBSA-N -1 3 301.243 3.775 20 0 DHADHM O=c1[n-]c(N[C@@H]2COCc3ccccc32)c(Cl)cc1Cl ZINC001171288890 1032256281 /nfs/dbraw/zinc/25/62/81/1032256281.db2.gz RAZINKZSOHVADP-GFCCVEGCSA-N -1 3 311.168 3.777 20 0 DHADHM CCc1ccc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)c([O-])c1 ZINC000897107002 1017070673 /nfs/dbraw/zinc/07/06/73/1017070673.db2.gz JFXMWKQBKJVPEF-CYBMUJFWSA-N -1 3 314.385 3.821 20 0 DHADHM O=C([N-]c1cc(Cl)cc2ncoc21)c1cc(C2CC2)on1 ZINC001146927661 1032262089 /nfs/dbraw/zinc/26/20/89/1032262089.db2.gz GVGHXOBGCHRGSX-UHFFFAOYSA-N -1 3 303.705 3.599 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c1[O-] ZINC001148140487 1032365530 /nfs/dbraw/zinc/36/55/30/1032365530.db2.gz UDLFYZWMSXAZCW-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM C[C@H]1c2ccccc2OCCN1C(=O)c1cc([O-])ccc1Cl ZINC001148119326 1032366715 /nfs/dbraw/zinc/36/67/15/1032366715.db2.gz DEEFGQSWRWJVLP-NSHDSACASA-N -1 3 317.772 3.641 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c1[O-] ZINC001148202522 1032377954 /nfs/dbraw/zinc/37/79/54/1032377954.db2.gz POOYWVCKOIHPQB-UHFFFAOYSA-N -1 3 319.360 3.905 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C2CCC2)C(F)(F)F)c([O-])c1 ZINC001148504394 1032408844 /nfs/dbraw/zinc/40/88/44/1032408844.db2.gz OCBDSNPFBXYGLF-ZDUSSCGKSA-N -1 3 301.308 3.504 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(-n3cccc3)cc2)ccc1[O-] ZINC001148655706 1032423134 /nfs/dbraw/zinc/42/31/34/1032423134.db2.gz GLIQODNCDLQKIH-UHFFFAOYSA-N -1 3 320.348 3.638 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1[O-] ZINC000121186950 1032425908 /nfs/dbraw/zinc/42/59/08/1032425908.db2.gz HWXCBZODWZVYLL-UHFFFAOYSA-N -1 3 324.336 3.672 20 0 DHADHM CC(=O)c1cc(C(=O)N2Cc3ccccc3C(C)(C)C2)ccc1[O-] ZINC001148662556 1032431868 /nfs/dbraw/zinc/43/18/68/1032431868.db2.gz OZJXWQUVFQKMCL-UHFFFAOYSA-N -1 3 323.392 3.528 20 0 DHADHM CCCCCn1nc(C)cc1NC(=O)c1c(C)cccc1[O-] ZINC001149003565 1032457235 /nfs/dbraw/zinc/45/72/35/1032457235.db2.gz DQBBOUGXGQRWQQ-UHFFFAOYSA-N -1 3 301.390 3.648 20 0 DHADHM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(F)ccc1[O-] ZINC000089882108 1011909113 /nfs/dbraw/zinc/90/91/13/1011909113.db2.gz QZOFVWJVPILNFW-UHFFFAOYSA-N -1 3 321.258 3.598 20 0 DHADHM COc1ccc2oc(C)c(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000049458248 1011915153 /nfs/dbraw/zinc/91/51/53/1011915153.db2.gz INLZEFVYXKIWJO-AWEZNQCLSA-N -1 3 306.321 3.635 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424421625 1012016305 /nfs/dbraw/zinc/01/63/05/1012016305.db2.gz RWZQJRNFBITMSY-TVQRCGJNSA-N -1 3 319.298 3.530 20 0 DHADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc([O-])c1F)CCC2 ZINC000654969935 1012220021 /nfs/dbraw/zinc/22/00/21/1012220021.db2.gz PJUZSOIEXOKILQ-ZDUSSCGKSA-N -1 3 315.344 3.599 20 0 DHADHM C[C@H](c1ccco1)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000122509490 1032609553 /nfs/dbraw/zinc/60/95/53/1032609553.db2.gz HGYUSCJOZWIZIS-LLVKDONJSA-N -1 3 318.348 3.560 20 0 DHADHM Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c([O-])c1C ZINC000537664409 1032615453 /nfs/dbraw/zinc/61/54/53/1032615453.db2.gz YNFQWMNNCYHCHI-UHFFFAOYSA-N -1 3 319.744 3.643 20 0 DHADHM Cc1ccccc1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809364 1032617531 /nfs/dbraw/zinc/61/75/31/1032617531.db2.gz BGKJYRKQWALAAB-UHFFFAOYSA-N -1 3 314.168 3.866 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000032098351 1012432501 /nfs/dbraw/zinc/43/25/01/1012432501.db2.gz SUYVYLVFQCIQGW-UHFFFAOYSA-N -1 3 307.390 3.887 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](OC3CCC3)C2)c([O-])c1 ZINC000655282901 1012623716 /nfs/dbraw/zinc/62/37/16/1012623716.db2.gz WYNXLDNHPAJMDI-MRXNPFEDSA-N -1 3 317.429 3.689 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2CC2CCCC2)c([O-])c1 ZINC000655368955 1012708976 /nfs/dbraw/zinc/70/89/76/1012708976.db2.gz ZZFBHJYLCQVKQW-AWEZNQCLSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1cc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc(C)c1O ZINC000436668651 1012762052 /nfs/dbraw/zinc/76/20/52/1012762052.db2.gz YRJFVRCJSSGJSC-UHFFFAOYSA-N -1 3 300.745 3.566 20 0 DHADHM CC(C)CCOc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000655229358 1012915171 /nfs/dbraw/zinc/91/51/71/1012915171.db2.gz KKLVOPZECPWSPM-UHFFFAOYSA-N -1 3 324.384 3.635 20 0 DHADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000339843790 1012929415 /nfs/dbraw/zinc/92/94/15/1012929415.db2.gz SKRKYVAQKGBIAF-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)c1ocnc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000776960306 1032674764 /nfs/dbraw/zinc/67/47/64/1032674764.db2.gz FQGRHIHYIIBPBJ-UHFFFAOYSA-N -1 3 322.777 3.708 20 0 DHADHM CCCOCc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000060090499 1013003326 /nfs/dbraw/zinc/00/33/26/1013003326.db2.gz KHJSVZDXIRFVTD-UHFFFAOYSA-N -1 3 314.410 3.887 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2nnc(CC(C)C)s2)c(F)c1 ZINC000666967410 1032679557 /nfs/dbraw/zinc/67/95/57/1032679557.db2.gz DPOVWRXKFSUSAW-UHFFFAOYSA-N -1 3 311.357 3.576 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000028869265 1017112099 /nfs/dbraw/zinc/11/20/99/1017112099.db2.gz RHBUWRFVAISTAI-UHFFFAOYSA-N -1 3 321.380 3.790 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2cc(-c3ccccc3F)no2)on1 ZINC000073110487 1017189224 /nfs/dbraw/zinc/18/92/24/1017189224.db2.gz SAQFJTUUFZWKNC-UHFFFAOYSA-N -1 3 315.304 3.844 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](C2CCC2)C1 ZINC000665683631 1017287728 /nfs/dbraw/zinc/28/77/28/1017287728.db2.gz BKIUXJLURMHGJB-OAHLLOKOSA-N -1 3 305.393 3.503 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1 ZINC000014223691 1017399119 /nfs/dbraw/zinc/39/91/19/1017399119.db2.gz LHIULOMNNVYJEF-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCOc2ccccc21 ZINC000076965188 1017443140 /nfs/dbraw/zinc/44/31/40/1017443140.db2.gz CSBBOXHVWGFANH-GFCCVEGCSA-N -1 3 303.745 3.550 20 0 DHADHM Cc1cc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)no1 ZINC000077323910 1017456288 /nfs/dbraw/zinc/45/62/88/1017456288.db2.gz VEFWOVMYTPEZST-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cc(Cl)cc(Cl)n2)n1 ZINC000874696371 1032708641 /nfs/dbraw/zinc/70/86/41/1032708641.db2.gz YAZSMMZSFDWZME-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)cc2[O-])s1 ZINC000119901118 1017668623 /nfs/dbraw/zinc/66/86/23/1017668623.db2.gz CZBBAKGPNZVJTL-LBPRGKRZSA-N -1 3 318.442 3.861 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000674258765 1017917365 /nfs/dbraw/zinc/91/73/65/1017917365.db2.gz ZSALPHWRKDYCFF-UHFFFAOYSA-N -1 3 316.279 3.612 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000343076745 1018100780 /nfs/dbraw/zinc/10/07/80/1018100780.db2.gz GMVBOCRSFWGWOB-JKSUJKDBSA-N -1 3 304.349 3.683 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000343076721 1018100885 /nfs/dbraw/zinc/10/08/85/1018100885.db2.gz GMVBOCRSFWGWOB-CVEARBPZSA-N -1 3 304.349 3.683 20 0 DHADHM CC[C@H](c1ccccc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194972547 1018218225 /nfs/dbraw/zinc/21/82/25/1018218225.db2.gz KWDDHSWDVWODTK-CQSZACIVSA-N -1 3 313.426 3.568 20 0 DHADHM CCCOc1ccc(C=Cc2nccc(=O)[n-]2)c(OCCC)c1 ZINC000764433076 1018281981 /nfs/dbraw/zinc/28/19/81/1018281981.db2.gz BKGDZGPAXIQCOX-SOFGYWHQSA-N -1 3 314.385 3.930 20 0 DHADHM CCOc1ccc(N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000764545496 1018309598 /nfs/dbraw/zinc/30/95/98/1018309598.db2.gz AQFBCDOMYIUVIO-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM CCOc1c(F)cccc1[N-]c1nnc(Br)s1 ZINC001212533372 1018324128 /nfs/dbraw/zinc/32/41/28/1018324128.db2.gz GHLQPDXWZXHWOV-UHFFFAOYSA-N -1 3 318.171 3.582 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2cc3cc(Br)ccc3o2)S1 ZINC000874929709 1032763832 /nfs/dbraw/zinc/76/38/32/1032763832.db2.gz NFNWWFYOOSTEFF-YHYXMXQVSA-N -1 3 324.155 3.519 20 0 DHADHM COc1ccc(-c2nnsc2[N-]c2c(C)ccnc2F)cc1 ZINC001212556064 1018458164 /nfs/dbraw/zinc/45/81/64/1018458164.db2.gz VWFWBEVISRBDAJ-UHFFFAOYSA-N -1 3 316.361 3.800 20 0 DHADHM CSc1cc(F)c(-c2noc(-c3ccc([O-])cn3)n2)cc1F ZINC001212558807 1018467927 /nfs/dbraw/zinc/46/79/27/1018467927.db2.gz GRQIAZLAGWIUEY-UHFFFAOYSA-N -1 3 321.308 3.504 20 0 DHADHM O=C([O-])c1ccc(CN[C@H]2CCSc3ccccc32)s1 ZINC000706238812 1018706238 /nfs/dbraw/zinc/70/62/38/1018706238.db2.gz FVDLQADSMLVJGR-LBPRGKRZSA-N -1 3 305.424 3.773 20 0 DHADHM Cc1nc(SCc2noc(-c3ccccc3[O-])n2)sc1C ZINC000741856942 1018781802 /nfs/dbraw/zinc/78/18/02/1018781802.db2.gz LJNCYYZBJVKODN-UHFFFAOYSA-N -1 3 319.411 3.808 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000354437409 1018790145 /nfs/dbraw/zinc/79/01/45/1018790145.db2.gz ABXHEHNQDWZYJO-AWEZNQCLSA-N -1 3 312.394 3.883 20 0 DHADHM Cc1noc2ncc(NC(=O)c3cc([O-])c4ccccc4c3)cc12 ZINC000354706139 1018866289 /nfs/dbraw/zinc/86/62/89/1018866289.db2.gz HALHITOQWIHPOR-UHFFFAOYSA-N -1 3 319.320 3.642 20 0 DHADHM COc1ccc(CNCc2cccc([O-])c2Cl)c(C)c1OC ZINC000922966755 1018945072 /nfs/dbraw/zinc/94/50/72/1018945072.db2.gz WYLVXJHKBLQFGX-UHFFFAOYSA-N -1 3 321.804 3.661 20 0 DHADHM COc1ccc2cc(CN(C)C(=O)c3ccccc3[O-])ccc2c1 ZINC000023954976 1018990549 /nfs/dbraw/zinc/99/05/49/1018990549.db2.gz NTIMRZYEDVNUJE-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM COc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c([O-])c1 ZINC000135165704 1019069604 /nfs/dbraw/zinc/06/96/04/1019069604.db2.gz GHUDIQKGEKXCPV-HNNXBMFYSA-N -1 3 315.369 3.751 20 0 DHADHM Cc1ccncc1[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001137810719 1019083541 /nfs/dbraw/zinc/08/35/41/1019083541.db2.gz VDQILZUBFDGZFX-NSHDSACASA-N -1 3 312.394 3.801 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(C(F)(F)F)s1 ZINC000671661568 1019122266 /nfs/dbraw/zinc/12/22/66/1019122266.db2.gz GCYKWSDTWNCJTF-UHFFFAOYSA-N -1 3 319.333 3.748 20 0 DHADHM COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)c([O-])c1 ZINC000031696197 1019226919 /nfs/dbraw/zinc/22/69/19/1019226919.db2.gz JVWKCLIALVMQDC-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM CC(C)c1nc(C(=O)[N-]c2nnc(-c3ccco3)s2)cs1 ZINC000338617147 1019326813 /nfs/dbraw/zinc/32/68/13/1019326813.db2.gz NYAAHZWMCYIMFD-UHFFFAOYSA-N -1 3 320.399 3.630 20 0 DHADHM O=C(NC1(C(F)(F)F)CCC1)c1cc([O-])c2ccccc2c1 ZINC000472205317 1019349558 /nfs/dbraw/zinc/34/95/58/1019349558.db2.gz JAKBNJGCKKKAQZ-UHFFFAOYSA-N -1 3 309.287 3.760 20 0 DHADHM C[C@@H](CCc1cccn1C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472227052 1019358844 /nfs/dbraw/zinc/35/88/44/1019358844.db2.gz XFKSRPGPWDFKGY-AWEZNQCLSA-N -1 3 322.408 3.635 20 0 DHADHM C[C@H](CCc1cccn1C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472227054 1019359969 /nfs/dbraw/zinc/35/99/69/1019359969.db2.gz XFKSRPGPWDFKGY-CQSZACIVSA-N -1 3 322.408 3.635 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCOc2ccc(F)cc2)n1 ZINC000477348928 1032822645 /nfs/dbraw/zinc/82/26/45/1032822645.db2.gz IDIWOENOIJLSBU-UHFFFAOYSA-N -1 3 322.405 3.586 20 0 DHADHM COC(=O)c1cc(Cl)sc1Nc1cc(F)cc(F)c1[O-] ZINC001212482073 1019430050 /nfs/dbraw/zinc/43/00/50/1019430050.db2.gz YVVYPBHSTYWNRA-UHFFFAOYSA-N -1 3 319.716 3.916 20 0 DHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c1[O-] ZINC000091992530 1019494999 /nfs/dbraw/zinc/49/49/99/1019494999.db2.gz ARNQZQORKZVWJT-QGZVFWFLSA-N -1 3 312.413 3.661 20 0 DHADHM O=C(CCCn1cccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153672201 1019497010 /nfs/dbraw/zinc/49/70/10/1019497010.db2.gz DDLKBEDLECHBGI-UHFFFAOYSA-N -1 3 312.291 3.631 20 0 DHADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000477400874 1032835671 /nfs/dbraw/zinc/83/56/71/1032835671.db2.gz CXEOKEVECJUUGH-JXAWBTAJSA-N -1 3 302.377 3.862 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c1[O-] ZINC000092759260 1019543080 /nfs/dbraw/zinc/54/30/80/1019543080.db2.gz SSZKJZCPZVXSKY-QGZVFWFLSA-N -1 3 310.397 3.635 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1[O-] ZINC000094149841 1019611409 /nfs/dbraw/zinc/61/14/09/1019611409.db2.gz IUXJVPDORUSNMM-QGZVFWFLSA-N -1 3 309.409 3.584 20 0 DHADHM Cc1cccc2c1CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000682483332 1019627915 /nfs/dbraw/zinc/62/79/15/1019627915.db2.gz SDMLDOWYNIPOFQ-UHFFFAOYSA-N -1 3 313.372 3.752 20 0 DHADHM O=C(CCOCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000138594290 1019638065 /nfs/dbraw/zinc/63/80/65/1019638065.db2.gz MDJPOVRVLHXMJY-UHFFFAOYSA-N -1 3 305.761 3.591 20 0 DHADHM COC1CCC(N(C)C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000280751359 1019729430 /nfs/dbraw/zinc/72/94/30/1019729430.db2.gz CFEKCANLKSJPRY-UHFFFAOYSA-N -1 3 313.397 3.575 20 0 DHADHM CC(C)n1cc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000526895674 1019736873 /nfs/dbraw/zinc/73/68/73/1019736873.db2.gz DZPCGYHMZZDPBC-CYBMUJFWSA-N -1 3 323.396 3.814 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000281512350 1019772894 /nfs/dbraw/zinc/77/28/94/1019772894.db2.gz ISRBWOYAUDSDEO-IAGOWNOFSA-N -1 3 323.392 3.519 20 0 DHADHM O=c1[n-]c(CN2CCC3(CCC3)CC2)nc2c3ccccc3oc21 ZINC000671728743 1019795721 /nfs/dbraw/zinc/79/57/21/1019795721.db2.gz CFXMDDFZIOJJGR-UHFFFAOYSA-N -1 3 323.396 3.848 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000063570267 1019809998 /nfs/dbraw/zinc/80/99/98/1019809998.db2.gz JSBSXQWTHMLVBD-UHFFFAOYSA-N -1 3 324.475 3.788 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2ncoc2C(F)(F)F)n1 ZINC000667015095 1032862528 /nfs/dbraw/zinc/86/25/28/1032862528.db2.gz IIYZBKUCIZHCOH-UHFFFAOYSA-N -1 3 319.308 3.700 20 0 DHADHM COc1ccc(C)cc1CO[N-]C(=O)CCC1CCCCC1 ZINC000730100227 1019947182 /nfs/dbraw/zinc/94/71/82/1019947182.db2.gz HVJYHHXOKVWWOH-UHFFFAOYSA-N -1 3 305.418 3.912 20 0 DHADHM O=C(Nc1ccc2c[nH]nc2c1)c1cc([O-])c2ccccc2c1 ZINC000352297215 1019958218 /nfs/dbraw/zinc/95/82/18/1019958218.db2.gz ZVVPSSNPNAEGMQ-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM Cc1cnc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)o1 ZINC000066810653 1019961256 /nfs/dbraw/zinc/96/12/56/1019961256.db2.gz VYLRCRGRIQJVAQ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000117577784 1019982728 /nfs/dbraw/zinc/98/27/28/1019982728.db2.gz CUCPINZRHUPAPC-UHFFFAOYSA-N -1 3 305.334 3.628 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)s2)n1 ZINC000068074165 1020011295 /nfs/dbraw/zinc/01/12/95/1020011295.db2.gz AWKJDBQAZLZGBR-UHFFFAOYSA-N -1 3 301.824 3.803 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2ccc(C)cc2)c1[O-] ZINC000673527351 1020021639 /nfs/dbraw/zinc/02/16/39/1020021639.db2.gz TTZRAJAMKMHDGD-UHFFFAOYSA-N -1 3 311.381 3.820 20 0 DHADHM C[C@@H]1CCCC[C@H]1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000070694311 1020058175 /nfs/dbraw/zinc/05/81/75/1020058175.db2.gz VWTILZPRZPMKFC-ZYHUDNBSSA-N -1 3 318.442 3.569 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000111210887 1020144608 /nfs/dbraw/zinc/14/46/08/1020144608.db2.gz YXFLCFSGLXNIPA-CHWSQXEVSA-N -1 3 305.736 3.927 20 0 DHADHM CC(C)COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731767951 1020144904 /nfs/dbraw/zinc/14/49/04/1020144904.db2.gz TYDUYVMFRKYDHY-UHFFFAOYSA-N -1 3 323.190 3.652 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC(C)(C)c2ncc(C)s2)c1 ZINC000612053407 1020148170 /nfs/dbraw/zinc/14/81/70/1020148170.db2.gz AWBBQOAQCGOEBV-UHFFFAOYSA-N -1 3 322.455 3.544 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1Cl ZINC000673586442 1020151401 /nfs/dbraw/zinc/15/14/01/1020151401.db2.gz CXMYXOZLZUXCFW-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Cl)c1 ZINC000673586163 1020152303 /nfs/dbraw/zinc/15/23/03/1020152303.db2.gz AHMFOXAOCXKZSP-UHFFFAOYSA-N -1 3 323.792 3.505 20 0 DHADHM O=C(CCOc1ccccc1)[N-]OCc1cccc2ccccc21 ZINC000731842273 1020157891 /nfs/dbraw/zinc/15/78/91/1020157891.db2.gz WWHUEQAKHFEHOQ-UHFFFAOYSA-N -1 3 321.376 3.857 20 0 DHADHM CC(C)[C@H](N[C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000186352041 1020255999 /nfs/dbraw/zinc/25/59/99/1020255999.db2.gz ALKBNRJRGDJYEI-NHYWBVRUSA-N -1 3 311.397 3.548 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000264266346 1032888350 /nfs/dbraw/zinc/88/83/50/1032888350.db2.gz VIQQMTPOHAODIV-UHFFFAOYSA-N -1 3 317.335 3.690 20 0 DHADHM COCOc1cccc(F)c1[N-]c1nnc(C(C)(C)C)s1 ZINC001214430481 1020289821 /nfs/dbraw/zinc/28/98/21/1020289821.db2.gz JRQQIYGCIZWBPA-UHFFFAOYSA-N -1 3 311.382 3.701 20 0 DHADHM Cc1ccc(C(=O)C(=O)[N-]c2cc(-c3ccccc3F)no2)cc1 ZINC000732831480 1020290823 /nfs/dbraw/zinc/29/08/23/1020290823.db2.gz XEQABXDTVZJKOH-UHFFFAOYSA-N -1 3 324.311 3.611 20 0 DHADHM O=C(NC[C@H]1CCc2ccccc2C1)c1cc([O-])ccc1Cl ZINC000685745297 1020410126 /nfs/dbraw/zinc/41/01/26/1020410126.db2.gz XBZUKIZTTYJXPG-LBPRGKRZSA-N -1 3 315.800 3.581 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(Br)c1 ZINC000625254890 1020437682 /nfs/dbraw/zinc/43/76/82/1020437682.db2.gz WUJZWDJJOAJQTJ-AOOOYVTPSA-N -1 3 312.207 3.558 20 0 DHADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000685758232 1020457737 /nfs/dbraw/zinc/45/77/37/1020457737.db2.gz NFOOMAZPADDBAR-NVXWUHKLSA-N -1 3 301.773 3.506 20 0 DHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(=O)c2ccccc2[n-]1 ZINC000673721263 1020460225 /nfs/dbraw/zinc/46/02/25/1020460225.db2.gz HPBFHNGEPNNOAT-QLFBSQMISA-N -1 3 324.424 3.617 20 0 DHADHM C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000282583909 1020468593 /nfs/dbraw/zinc/46/85/93/1020468593.db2.gz WHCYTJYHUZKFGF-ZDUSSCGKSA-N -1 3 312.413 3.981 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCc1ccccn1 ZINC001626090993 1020502839 /nfs/dbraw/zinc/50/28/39/1020502839.db2.gz FYWCWGIMPAIXJC-UHFFFAOYSA-N -1 3 318.376 3.539 20 0 DHADHM C[C@]12CCCC[C@H]1CN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000626104064 1020508383 /nfs/dbraw/zinc/50/83/83/1020508383.db2.gz CSMFQIVEQCHVIM-BUXKBTBVSA-N -1 3 323.396 3.846 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCCOc1ccccc1F ZINC000733997809 1020547082 /nfs/dbraw/zinc/54/70/82/1020547082.db2.gz FQGQQFQYZITDIZ-UHFFFAOYSA-N -1 3 309.381 3.613 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCCC3(C)C)n[n-]2)o1 ZINC000448251174 1020556703 /nfs/dbraw/zinc/55/67/03/1020556703.db2.gz BXVZAKDVFMNMFF-LLVKDONJSA-N -1 3 302.378 3.528 20 0 DHADHM Cc1ccc2nc(C)c(C(=O)NCc3ccc([O-])c(F)c3)cc2c1 ZINC000132992092 1020589483 /nfs/dbraw/zinc/58/94/83/1020589483.db2.gz TWDOYXIJBDLVQA-UHFFFAOYSA-N -1 3 324.355 3.626 20 0 DHADHM O=C(CCOc1ccccc1)[N-]OCc1ccc2ccccc2c1 ZINC000739899324 1020920569 /nfs/dbraw/zinc/92/05/69/1020920569.db2.gz JCEQMLRBTHKKDB-UHFFFAOYSA-N -1 3 321.376 3.857 20 0 DHADHM O=C(Nc1ncccc1[O-])C1(c2cccc(Cl)c2)CCC1 ZINC000636339219 1020938611 /nfs/dbraw/zinc/93/86/11/1020938611.db2.gz VNUJGANNXDTMOF-UHFFFAOYSA-N -1 3 302.761 3.501 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C3CC=CC3)nc(=O)c2c1C ZINC000741043023 1020978420 /nfs/dbraw/zinc/97/84/20/1020978420.db2.gz LUQUPFOHPKEVPR-SECBINFHSA-N -1 3 318.398 3.584 20 0 DHADHM CC(C)CCC[S@](=O)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000414247622 1021028306 /nfs/dbraw/zinc/02/83/06/1021028306.db2.gz OKXSERIZKBARDF-QFIPXVFZSA-N -1 3 318.442 3.534 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Cl)cc1 ZINC000741753014 1021049257 /nfs/dbraw/zinc/04/92/57/1021049257.db2.gz NFWJTYHKTLVBSB-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)s1 ZINC000176179608 1021105773 /nfs/dbraw/zinc/10/57/73/1021105773.db2.gz MSWHXJGWPOWDEA-SSDOTTSWSA-N -1 3 322.777 3.522 20 0 DHADHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc([O-])c1F ZINC000128284365 1021211096 /nfs/dbraw/zinc/21/10/96/1021211096.db2.gz NNJRLHNQNAKBBK-UHFFFAOYSA-N -1 3 314.291 3.779 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000128370745 1021232879 /nfs/dbraw/zinc/23/28/79/1021232879.db2.gz HAUQEUZTASPNLE-NXEZZACHSA-N -1 3 307.271 3.552 20 0 DHADHM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000128412374 1021247332 /nfs/dbraw/zinc/24/73/32/1021247332.db2.gz FEKZYDBUFVHVMG-LBPRGKRZSA-N -1 3 317.360 3.747 20 0 DHADHM CCOc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128588453 1021297299 /nfs/dbraw/zinc/29/72/99/1021297299.db2.gz MTOXNNPUNZSKIY-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000618173013 1021312514 /nfs/dbraw/zinc/31/25/14/1021312514.db2.gz OOQZEFFGALNLRM-AWEZNQCLSA-N -1 3 309.287 3.734 20 0 DHADHM Cn1cc(/C=C/C(=O)Nc2cccc([O-])c2F)c2ccccc21 ZINC000128680021 1021315760 /nfs/dbraw/zinc/31/57/60/1021315760.db2.gz VKYVSFFNOQIXMK-MDZDMXLPSA-N -1 3 310.328 3.675 20 0 DHADHM CCOC(=O)c1ccncc1Nc1c(Cl)ccc([O-])c1F ZINC001214556221 1021412151 /nfs/dbraw/zinc/41/21/51/1021412151.db2.gz LGASBAJCEKJUGA-UHFFFAOYSA-N -1 3 310.712 3.500 20 0 DHADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCc1ccccc1 ZINC000182004774 1021435563 /nfs/dbraw/zinc/43/55/63/1021435563.db2.gz GBMRUKSNDSXISO-UHFFFAOYSA-N -1 3 315.335 3.993 20 0 DHADHM Cc1ccncc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647480 1021504376 /nfs/dbraw/zinc/50/43/76/1021504376.db2.gz RJMLHZIYLTWKLX-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM Cc1cccnc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647632 1021506812 /nfs/dbraw/zinc/50/68/12/1021506812.db2.gz ZVVGAVDFZHDDDS-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM COc1ccc([C@@H](C)CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129597881 1021517789 /nfs/dbraw/zinc/51/77/89/1021517789.db2.gz XQJODIOPDBFQJL-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM O=C(OCc1cc2ccccc2o1)c1cc(-c2ccco2)[n-]n1 ZINC000918501414 1021533750 /nfs/dbraw/zinc/53/37/50/1021533750.db2.gz ZRSRPBCDCCMLJP-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM O=C(OCc1cc2ccccc2o1)c1cc(-c2ccco2)n[n-]1 ZINC000918501414 1021533756 /nfs/dbraw/zinc/53/37/56/1021533756.db2.gz ZRSRPBCDCCMLJP-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCc2ccc(C)cc2)c1[O-] ZINC000556892048 1021933136 /nfs/dbraw/zinc/93/31/36/1021933136.db2.gz HLMCACZZAWOYJV-UHFFFAOYSA-N -1 3 311.381 3.865 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000183082074 1021984442 /nfs/dbraw/zinc/98/44/42/1021984442.db2.gz MQTYUYHUQLRJPZ-UHFFFAOYSA-N -1 3 306.705 3.515 20 0 DHADHM COc1cccc(CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000183173898 1022026048 /nfs/dbraw/zinc/02/60/48/1022026048.db2.gz IIFCCBNQJJCGFM-UHFFFAOYSA-N -1 3 321.376 3.639 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(F)cc1F ZINC000153370281 1022039964 /nfs/dbraw/zinc/03/99/64/1022039964.db2.gz CGMYPSVUGRMDQQ-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM CCN1Cc2ccc(Nc3c(Cl)ccc([O-])c3F)cc2C1=O ZINC001214561212 1022044119 /nfs/dbraw/zinc/04/41/19/1022044119.db2.gz ACIUODREWGFXOR-UHFFFAOYSA-N -1 3 320.751 3.904 20 0 DHADHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1COC2(CCCCC2)O1 ZINC000183383492 1022131133 /nfs/dbraw/zinc/13/11/33/1022131133.db2.gz HYRXODNUXZLCEM-UHPUNMKFSA-N -1 3 309.793 3.540 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1c(C)onc1C1CC1 ZINC000416123062 1022141173 /nfs/dbraw/zinc/14/11/73/1022141173.db2.gz POZJNSXBIZGVMG-UHFFFAOYSA-N -1 3 318.398 3.843 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCOc2ccccc21 ZINC000153671671 1022238700 /nfs/dbraw/zinc/23/87/00/1022238700.db2.gz AFIQOXINZDILKI-LBPRGKRZSA-N -1 3 303.745 3.550 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000078751579 1022335147 /nfs/dbraw/zinc/33/51/47/1022335147.db2.gz RGRAWRJLUKUTDO-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(Cc2cccnc2)n1 ZINC001212588690 1022349568 /nfs/dbraw/zinc/34/95/68/1022349568.db2.gz YTCVMVAVLHUUSV-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM COC(=O)c1c(Cl)nccc1Nc1ccc(Cl)c([O-])c1 ZINC001212589369 1022357466 /nfs/dbraw/zinc/35/74/66/1022357466.db2.gz IDIXBMFLCYQRCE-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM [O-]c1cc(Nc2cccnc2OC2CCOCC2)ccc1Cl ZINC001212589211 1022359764 /nfs/dbraw/zinc/35/97/64/1022359764.db2.gz ACVVOZRBBWBCGE-UHFFFAOYSA-N -1 3 320.776 3.742 20 0 DHADHM [O-]c1cc(Nc2cnc3cc(C4CC4)nn3c2)ccc1Cl ZINC001212590669 1022432625 /nfs/dbraw/zinc/43/26/25/1022432625.db2.gz XVFRGXDVAYRPKU-UHFFFAOYSA-N -1 3 300.749 3.709 20 0 DHADHM COc1ccc(CN(C)Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000179568371 1022472794 /nfs/dbraw/zinc/47/27/94/1022472794.db2.gz MBCSCRSDOUEPLZ-UHFFFAOYSA-N -1 3 321.804 3.695 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CC2(CC2)C1 ZINC000615474249 1022481639 /nfs/dbraw/zinc/48/16/39/1022481639.db2.gz JZJHLQFYUUAOIN-UHFFFAOYSA-N -1 3 310.191 3.592 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000854514884 1022486558 /nfs/dbraw/zinc/48/65/58/1022486558.db2.gz KZQFRAGDEFRYEY-CQSZACIVSA-N -1 3 309.312 3.539 20 0 DHADHM COC(=O)CCc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212594211 1022523623 /nfs/dbraw/zinc/52/36/23/1022523623.db2.gz UTJSMKJNGFPYRD-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM [O-]c1cccnc1CNc1cnc2[nH]c(-c3ccccc3)cc2c1 ZINC001169733255 1022529233 /nfs/dbraw/zinc/52/92/33/1022529233.db2.gz RMHRRXIRKXEKIH-UHFFFAOYSA-N -1 3 316.364 3.943 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000855014782 1022563352 /nfs/dbraw/zinc/56/33/52/1022563352.db2.gz DLEBGLILHADLSI-ZIAGYGMSSA-N -1 3 317.813 3.549 20 0 DHADHM O=C1c2c(cccc2Nc2ccc(Cl)c([O-])c2)CN1C1CC1 ZINC001212595557 1022561428 /nfs/dbraw/zinc/56/14/28/1022561428.db2.gz ZIIZWLZZCCZZJU-UHFFFAOYSA-N -1 3 314.772 3.907 20 0 DHADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c([O-])c1 ZINC001169895164 1022581333 /nfs/dbraw/zinc/58/13/33/1022581333.db2.gz NQZGLOAVGKTZRU-GOEBONIOSA-N -1 3 317.335 3.519 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000855190194 1022594139 /nfs/dbraw/zinc/59/41/39/1022594139.db2.gz TUDRSMCZMLAJEX-UHFFFAOYSA-N -1 3 322.459 3.713 20 0 DHADHM O=C(N[C@H](C(F)F)C1CCCCC1)c1cc([O-])ccc1Cl ZINC000623046205 1022636758 /nfs/dbraw/zinc/63/67/58/1022636758.db2.gz LZSLVIKBUXQULZ-ZDUSSCGKSA-N -1 3 317.763 3.989 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](CCF)C1 ZINC000855828693 1022706087 /nfs/dbraw/zinc/70/60/87/1022706087.db2.gz OTTFJIKWALYERP-LLVKDONJSA-N -1 3 307.390 3.819 20 0 DHADHM Cc1cccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1F ZINC000417558874 1022783764 /nfs/dbraw/zinc/78/37/64/1022783764.db2.gz GUXFSWJBKDFJIG-SUMWQHHRSA-N -1 3 301.361 3.686 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000417571173 1022786788 /nfs/dbraw/zinc/78/67/88/1022786788.db2.gz XDBAAWCHTQOFQM-HZMBPMFUSA-N -1 3 309.818 3.953 20 0 DHADHM Cc1sccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000417574198 1022788984 /nfs/dbraw/zinc/78/89/84/1022788984.db2.gz RDWWNHUDTRUYEV-CQSZACIVSA-N -1 3 309.818 3.934 20 0 DHADHM O=c1ccnc(C=Cc2cc(Br)ccc2Cl)[n-]1 ZINC000767730521 1022791613 /nfs/dbraw/zinc/79/16/13/1022791613.db2.gz PULVUEKATRFXMN-RJRFIUFISA-N -1 3 311.566 3.769 20 0 DHADHM c1coc(-c2nnc([N-]c3ccc(C4CCOCC4)cc3)o2)c1 ZINC001212650383 1033082301 /nfs/dbraw/zinc/08/23/01/1033082301.db2.gz DVMOGTYFCDPTDE-UHFFFAOYSA-N -1 3 311.341 3.967 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000621881467 1022919582 /nfs/dbraw/zinc/91/95/82/1022919582.db2.gz MSKDZZNYQSWNGM-ZJUUUORDSA-N -1 3 301.308 3.672 20 0 DHADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621894825 1022922151 /nfs/dbraw/zinc/92/21/51/1022922151.db2.gz AJMIMUZVAFZZFS-SKDRFNHKSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC[C@@H]1C ZINC000621938534 1022945354 /nfs/dbraw/zinc/94/53/54/1022945354.db2.gz DZBYHURKWFUFDV-UWVGGRQHSA-N -1 3 301.308 3.529 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000768343371 1022956741 /nfs/dbraw/zinc/95/67/41/1022956741.db2.gz DCKDHILOQKPNFU-ZDUSSCGKSA-N -1 3 313.401 3.520 20 0 DHADHM CC(F)(F)CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622071540 1023017691 /nfs/dbraw/zinc/01/76/91/1023017691.db2.gz XUCMPSRTJLBPPV-UHFFFAOYSA-N -1 3 311.250 3.576 20 0 DHADHM COc1cccc([N-]C(=O)c2snc(Cl)c2Cl)c1F ZINC000857488135 1023019767 /nfs/dbraw/zinc/01/97/67/1023019767.db2.gz ISNVTPXVKTZGHZ-UHFFFAOYSA-N -1 3 321.160 3.850 20 0 DHADHM O=C(NC[C@@H]1CCCC1(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622089452 1023027135 /nfs/dbraw/zinc/02/71/35/1023027135.db2.gz SIZFOEUQCYEFGN-VIFPVBQESA-N -1 3 323.261 3.576 20 0 DHADHM COc1ccccc1[C@H](C)SCCC[N-]C(=O)C(F)(F)F ZINC000769470185 1023162019 /nfs/dbraw/zinc/16/20/19/1023162019.db2.gz PLQRMWGPWIQVCV-JTQLQIEISA-N -1 3 321.364 3.558 20 0 DHADHM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000769664324 1023192030 /nfs/dbraw/zinc/19/20/30/1023192030.db2.gz OBKPZPVBXWVAOZ-INIZCTEOSA-N -1 3 314.385 3.789 20 0 DHADHM CC[C@@H](CCc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000628610319 1033116102 /nfs/dbraw/zinc/11/61/02/1033116102.db2.gz QJABEVJKBQHEAS-INIZCTEOSA-N -1 3 315.388 3.601 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000109725838 1023243811 /nfs/dbraw/zinc/24/38/11/1023243811.db2.gz AHUAWHFIXRQXAQ-UHFFFAOYSA-N -1 3 317.395 3.843 20 0 DHADHM CCSc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000337653738 1033121520 /nfs/dbraw/zinc/12/15/20/1033121520.db2.gz MLODJVAPYGWRJF-UHFFFAOYSA-N -1 3 319.401 3.502 20 0 DHADHM Cc1ccccc1N(C(=O)c1c[n-]c2ccccc2c1=O)C(C)C ZINC001125966531 1023320722 /nfs/dbraw/zinc/32/07/22/1023320722.db2.gz VBMCNYGDIDMEFD-UHFFFAOYSA-N -1 3 320.392 3.892 20 0 DHADHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]OCC(F)F)(C2)C3 ZINC000772258954 1023540115 /nfs/dbraw/zinc/54/01/15/1023540115.db2.gz VNPCGOFYAOYTHX-UHFFFAOYSA-N -1 3 301.377 3.686 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccc2c(c1)CCC2 ZINC000786028741 1023649514 /nfs/dbraw/zinc/64/95/14/1023649514.db2.gz KIAVUJBXUSSWAL-LLVKDONJSA-N -1 3 323.348 3.678 20 0 DHADHM CC(C)n1ccc(COC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000786132315 1023665310 /nfs/dbraw/zinc/66/53/10/1023665310.db2.gz SWXTXAAOQQWQPT-UHFFFAOYSA-N -1 3 316.382 3.741 20 0 DHADHM C[C@@H]1C[C@H](COC(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC000786138421 1023667227 /nfs/dbraw/zinc/66/72/27/1023667227.db2.gz SLPJHTZALHALNO-GHMZBOCLSA-N -1 3 306.383 3.579 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cc(F)ccc1F ZINC000787826477 1023825125 /nfs/dbraw/zinc/82/51/25/1023825125.db2.gz ANAJWUGCKGTLLI-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccnc(Cl)c1 ZINC000787842824 1023825659 /nfs/dbraw/zinc/82/56/59/1023825659.db2.gz COWMMVXARWFMMS-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM CC(C)(C)OCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846355 1023826967 /nfs/dbraw/zinc/82/69/67/1023826967.db2.gz VTHWQJAJYVCMDB-UHFFFAOYSA-N -1 3 312.381 3.602 20 0 DHADHM COc1cc(Cl)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049400405 1023851409 /nfs/dbraw/zinc/85/14/09/1023851409.db2.gz VEFRAAWJEAWITL-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CC1(C)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652412359 1023853226 /nfs/dbraw/zinc/85/32/26/1023853226.db2.gz ZKLNSDIPNONAKP-LBPRGKRZSA-N -1 3 302.201 3.851 20 0 DHADHM CCCCOCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788265919 1023867526 /nfs/dbraw/zinc/86/75/26/1023867526.db2.gz QGKUQQIERZHAON-UHFFFAOYSA-N -1 3 307.415 3.544 20 0 DHADHM COc1ccc(C)nc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000788304288 1023868161 /nfs/dbraw/zinc/86/81/61/1023868161.db2.gz FVAJFCSSEMWYDZ-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CC1(C)C[C@H](NC(=O)c2cc3sccc3c([O-])c2)C(C)(C)O1 ZINC000788309484 1023872531 /nfs/dbraw/zinc/87/25/31/1023872531.db2.gz PIYUBMGTEJOHQM-AWEZNQCLSA-N -1 3 319.426 3.683 20 0 DHADHM O=C([O-])C[C@H]1CCCCN1Cc1nc(-c2ccccc2)cs1 ZINC000652463662 1023876712 /nfs/dbraw/zinc/87/67/12/1023876712.db2.gz PHLXKISJAQVGGQ-CQSZACIVSA-N -1 3 316.426 3.639 20 0 DHADHM Cc1ccccc1C1(NC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000652516271 1023905172 /nfs/dbraw/zinc/90/51/72/1023905172.db2.gz YLGOFJOISZCXJS-UHFFFAOYSA-N -1 3 313.372 3.578 20 0 DHADHM COC(=O)Cc1ccccc1Nc1ccc(C)c([O-])c1Cl ZINC001213060279 1023943682 /nfs/dbraw/zinc/94/36/82/1023943682.db2.gz RESXVMZWJBSSFM-UHFFFAOYSA-N -1 3 305.761 3.813 20 0 DHADHM Cc1nc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cs1 ZINC000643123427 1023945668 /nfs/dbraw/zinc/94/56/68/1023945668.db2.gz SLYFTFJZSGXMKK-UHFFFAOYSA-N -1 3 301.371 3.998 20 0 DHADHM Cc1ncc(CO)c(C=Nc2ccc(Cl)cc2Cl)c1[O-] ZINC000254292419 1023947181 /nfs/dbraw/zinc/94/71/81/1023947181.db2.gz KUUNPBGPABAYHH-UHFFFAOYSA-N -1 3 311.168 3.645 20 0 DHADHM CCC[C@@H](O)CCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882283073 1024015040 /nfs/dbraw/zinc/01/50/40/1024015040.db2.gz XAACSJUMBANXFG-GFCCVEGCSA-N -1 3 322.430 3.617 20 0 DHADHM C/C=C(\CC)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000789226024 1024030783 /nfs/dbraw/zinc/03/07/83/1024030783.db2.gz FKAALVYICTZOQO-VKRGWIQLSA-N -1 3 320.414 3.974 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)[nH]c1C ZINC000746879122 1024221787 /nfs/dbraw/zinc/22/17/87/1024221787.db2.gz KEEWKGSRBJZJRF-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H]1C1CC1 ZINC000452988823 1024268433 /nfs/dbraw/zinc/26/84/33/1024268433.db2.gz LBRQRJRTQHJMGK-LJQANCHMSA-N -1 3 321.420 3.802 20 0 DHADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCc1ccc(F)cc1 ZINC000790564629 1024326817 /nfs/dbraw/zinc/32/68/17/1024326817.db2.gz NNNHKVCNNWOYCF-UHFFFAOYSA-N -1 3 309.287 3.554 20 0 DHADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1C(C)(C)C ZINC000270185313 1024363185 /nfs/dbraw/zinc/36/31/85/1024363185.db2.gz ZCPZLADLMPXNNA-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CCO[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000859697370 1033207074 /nfs/dbraw/zinc/20/70/74/1033207074.db2.gz FJRXGVBULPBAFW-NSHDSACASA-N -1 3 313.806 3.855 20 0 DHADHM CCN(CCc1nccs1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271073595 1024454087 /nfs/dbraw/zinc/45/40/87/1024454087.db2.gz YXQWQURVJXQMLA-UHFFFAOYSA-N -1 3 318.442 3.677 20 0 DHADHM O=C(Nc1ccc(C(F)(F)F)cc1[O-])NC1CCCCC1 ZINC001202614996 1024607964 /nfs/dbraw/zinc/60/79/64/1024607964.db2.gz IHWAIPNXESYENH-UHFFFAOYSA-N -1 3 302.296 3.865 20 0 DHADHM O=C(Nc1ncc(Cl)s1)c1cc([O-])c2ccccc2c1 ZINC000792200377 1024648043 /nfs/dbraw/zinc/64/80/43/1024648043.db2.gz OJQMXYYLTVQNPS-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(Cc2ccccc2)C1 ZINC000792303240 1024659403 /nfs/dbraw/zinc/65/94/03/1024659403.db2.gz JQJLHMIALQBGAB-UHFFFAOYSA-N -1 3 317.388 3.860 20 0 DHADHM Cc1ccncc1[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792295232 1024659532 /nfs/dbraw/zinc/65/95/32/1024659532.db2.gz TXJXQCQLPJJBKH-CYBMUJFWSA-N -1 3 306.365 3.740 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(N(C)C)n1 ZINC000792272389 1024659811 /nfs/dbraw/zinc/65/98/11/1024659811.db2.gz NHDNOOHGBXBCGV-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000318773029 1024662345 /nfs/dbraw/zinc/66/23/45/1024662345.db2.gz PIHFRDZTTYOVKW-LBPRGKRZSA-N -1 3 319.298 3.687 20 0 DHADHM CCOC(=O)c1sc(/C=C\c2cc([O-])cc(F)c2)nc1C ZINC000349055009 1024668510 /nfs/dbraw/zinc/66/85/10/1024668510.db2.gz RPLMWHCGPWSSQU-PLNGDYQASA-N -1 3 307.346 3.643 20 0 DHADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC1 ZINC000792480440 1024673139 /nfs/dbraw/zinc/67/31/39/1024673139.db2.gz BLZDKNHDDUEZHZ-JTQLQIEISA-N -1 3 310.357 3.593 20 0 DHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1Cl ZINC000800208811 1024739346 /nfs/dbraw/zinc/73/93/46/1024739346.db2.gz NDYQQYOUENSQCA-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1Cl ZINC000800208811 1024739353 /nfs/dbraw/zinc/73/93/53/1024739353.db2.gz NDYQQYOUENSQCA-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1Cl ZINC000800208811 1024739361 /nfs/dbraw/zinc/73/93/61/1024739361.db2.gz NDYQQYOUENSQCA-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cc(F)ccc1F ZINC001202646063 1024762625 /nfs/dbraw/zinc/76/26/25/1024762625.db2.gz RCDTYMBBMOKTDF-UHFFFAOYSA-N -1 3 307.178 3.616 20 0 DHADHM Cc1oc(CN2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000319843774 1024825090 /nfs/dbraw/zinc/82/50/90/1024825090.db2.gz OUFAOVKEMRDCPG-UHFFFAOYSA-N -1 3 313.397 3.741 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3cccc4ccccc43)n[n-]2)o1 ZINC000353509817 1025098370 /nfs/dbraw/zinc/09/83/70/1025098370.db2.gz QIIZTVGRXVVOGM-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM [O-]c1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1F ZINC000319000158 1025126590 /nfs/dbraw/zinc/12/65/90/1025126590.db2.gz VOOTXCLDXPGJBZ-UHFFFAOYSA-N -1 3 304.340 3.883 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc(C3CC3)cc2F)c1F ZINC000353583851 1025144027 /nfs/dbraw/zinc/14/40/27/1025144027.db2.gz CUOUGPRGAAXRPU-UHFFFAOYSA-N -1 3 307.315 3.977 20 0 DHADHM Cc1ccc(-c2nc(Cc3c(F)cccc3F)no2)c([O-])c1 ZINC000436892046 1025231095 /nfs/dbraw/zinc/23/10/95/1025231095.db2.gz YWHMUIGSOLELSE-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM CSCCO[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000794188707 1025232149 /nfs/dbraw/zinc/23/21/49/1025232149.db2.gz UXRCPZRYDVDHHM-UHFFFAOYSA-N -1 3 303.427 3.573 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)o1 ZINC000539106849 1033272431 /nfs/dbraw/zinc/27/24/31/1033272431.db2.gz CIZPXKMDOGFQBL-OAHLLOKOSA-N -1 3 307.415 3.654 20 0 DHADHM FC(F)n1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC000432818103 1025457027 /nfs/dbraw/zinc/45/70/27/1025457027.db2.gz CBEIRGDZHVPBJN-UHFFFAOYSA-N -1 3 319.098 4.470 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1coc2cc(F)ccc12 ZINC000355094908 1025604565 /nfs/dbraw/zinc/60/45/65/1025604565.db2.gz GCWPFOAWQHFCPP-UHFFFAOYSA-N -1 3 313.260 3.613 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc(Br)o1 ZINC000061094560 1025931348 /nfs/dbraw/zinc/93/13/48/1025931348.db2.gz VEMCOMIZGAZFBH-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM O=C([N-][C@@H](c1cccs1)c1ccc(Cl)cc1)C(F)F ZINC000194280387 1025960627 /nfs/dbraw/zinc/96/06/27/1025960627.db2.gz ZLAVPVKEDGBOFN-LLVKDONJSA-N -1 3 301.745 3.872 20 0 DHADHM O=c1cc(CSCc2ccc(F)c(F)c2)nc(C2CC2)[n-]1 ZINC000419356393 1026236855 /nfs/dbraw/zinc/23/68/55/1026236855.db2.gz MTXCOMTYRIUPDM-UHFFFAOYSA-N -1 3 308.353 3.771 20 0 DHADHM C[C@@H](CCOc1ccc2c([O-])coc2c1)OCc1ccccc1 ZINC000664133663 1026241581 /nfs/dbraw/zinc/24/15/81/1026241581.db2.gz ADRHATCNKFUSTC-AWEZNQCLSA-N -1 3 312.365 3.636 20 0 DHADHM COc1ccc(C)cc1CO[N-]C(=O)CCCc1ccccc1 ZINC000729263896 1026405041 /nfs/dbraw/zinc/40/50/41/1026405041.db2.gz PKGONFWZGGRRTQ-UHFFFAOYSA-N -1 3 313.397 3.574 20 0 DHADHM CC(C)c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)cs1 ZINC000072506557 1026612570 /nfs/dbraw/zinc/61/25/70/1026612570.db2.gz ZIRAAEQRODPWGZ-UHFFFAOYSA-N -1 3 300.305 3.936 20 0 DHADHM COCc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419446263 1026715854 /nfs/dbraw/zinc/71/58/54/1026715854.db2.gz NYWJUFRAISICED-UHFFFAOYSA-N -1 3 316.426 3.639 20 0 DHADHM Cc1csc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)n1 ZINC000190941656 1026772229 /nfs/dbraw/zinc/77/22/29/1026772229.db2.gz SEEMMZWOMBITTH-MRVPVSSYSA-N -1 3 300.786 3.800 20 0 DHADHM CO[C@@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810548240 1026786458 /nfs/dbraw/zinc/78/64/58/1026786458.db2.gz UJCZMRSPJIJCRX-ZJUUUORDSA-N -1 3 313.806 3.997 20 0 DHADHM O=C(OCCOc1cccnc1)c1cc2cc(Cl)sc2[n-]1 ZINC000810584356 1026794328 /nfs/dbraw/zinc/79/43/28/1026794328.db2.gz PXPZOLFUYPNINH-UHFFFAOYSA-N -1 3 322.773 3.514 20 0 DHADHM Cc1n[nH]c(C)c1CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810643115 1026817109 /nfs/dbraw/zinc/81/71/09/1026817109.db2.gz YXRQZYPDBBBSBQ-UHFFFAOYSA-N -1 3 323.805 3.622 20 0 DHADHM O=C(OCc1ccc(CO)cc1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393906 1026991486 /nfs/dbraw/zinc/99/14/86/1026991486.db2.gz HLFLNBHRQGCZEI-UHFFFAOYSA-N -1 3 321.785 3.732 20 0 DHADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)s1 ZINC000362260163 1027118449 /nfs/dbraw/zinc/11/84/49/1027118449.db2.gz GXVHFLPQBBAUCA-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccc(OC2CCCCC2)c1 ZINC000571960196 1027161997 /nfs/dbraw/zinc/16/19/97/1027161997.db2.gz IIIRSSQREFULPI-UHFFFAOYSA-N -1 3 312.369 3.751 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C)CCCC3)c2)n1 ZINC000362440297 1027205531 /nfs/dbraw/zinc/20/55/31/1027205531.db2.gz AYLOPZRDJADNMZ-UHFFFAOYSA-N -1 3 311.385 3.676 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2C)c1[O-] ZINC000572906694 1027241744 /nfs/dbraw/zinc/24/17/44/1027241744.db2.gz BYAHAVUVPLMLSZ-UHFFFAOYSA-N -1 3 311.381 3.783 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCc1ccc2c(c1)COC2 ZINC000778027852 1027252877 /nfs/dbraw/zinc/25/28/77/1027252877.db2.gz JMYFOCWBMJRSLU-UHFFFAOYSA-N -1 3 303.402 3.625 20 0 DHADHM Cc1cc(OCCCC(=O)[N-]OC/C=C/Cl)ccc1Cl ZINC000812399998 1027260946 /nfs/dbraw/zinc/26/09/46/1027260946.db2.gz DOPPFPHUKSEZSH-XVNBXDOJSA-N -1 3 318.200 3.608 20 0 DHADHM O=C(CCCc1cccc(C(F)(F)F)c1)[N-]OC/C=C/Cl ZINC000812404443 1027268620 /nfs/dbraw/zinc/26/86/20/1027268620.db2.gz DIHJPQLGPVKARV-FPYGCLRLSA-N -1 3 321.726 3.828 20 0 DHADHM CN(Cc1cccc([O-])c1Cl)[C@@H](CCO)c1ccccc1 ZINC000295446537 1027282546 /nfs/dbraw/zinc/28/25/46/1027282546.db2.gz UVQICQNWUAFFHV-HNNXBMFYSA-N -1 3 305.805 3.601 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(C(F)(F)F)cc1 ZINC000812407024 1027284056 /nfs/dbraw/zinc/28/40/56/1027284056.db2.gz UVLRWJCRVSJYQD-CYZOPGGISA-N -1 3 321.726 3.999 20 0 DHADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2nc3ccccc3o2)n1 ZINC000778047159 1027323244 /nfs/dbraw/zinc/32/32/44/1027323244.db2.gz WTGLMKLSITYREE-JTQLQIEISA-N -1 3 301.371 3.626 20 0 DHADHM CCCCCCOc1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC000812790651 1027408357 /nfs/dbraw/zinc/40/83/57/1027408357.db2.gz CEKADXFAYWOQFD-UHFFFAOYSA-N -1 3 305.418 3.789 20 0 DHADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000812792778 1027411050 /nfs/dbraw/zinc/41/10/50/1027411050.db2.gz HXFRZXHCUGWQMU-JTQLQIEISA-N -1 3 301.308 3.799 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3ccccc3F)CC2)n1 ZINC000577703708 1027896058 /nfs/dbraw/zinc/89/60/58/1027896058.db2.gz RVNRQZHHKPQKCI-ZDUSSCGKSA-N -1 3 315.392 3.570 20 0 DHADHM CC(=CC1CCC(C)CC1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001134128690 1027909979 /nfs/dbraw/zinc/90/99/79/1027909979.db2.gz UAAQEHGQSAEOKA-BENRWUELSA-N -1 3 314.389 3.776 20 0 DHADHM O=c1cc(CN2CC[C@@H]3CCC[C@@H]32)c2cc(Cl)c([O-])cc2o1 ZINC000934338171 1027971645 /nfs/dbraw/zinc/97/16/45/1027971645.db2.gz PZHXRMTYAXOIFN-HZMBPMFUSA-N -1 3 319.788 3.526 20 0 DHADHM CN(CCCCc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448732482 1028015028 /nfs/dbraw/zinc/01/50/28/1028015028.db2.gz CRUIEPFIZLBXCB-UHFFFAOYSA-N -1 3 315.388 3.555 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2c(C)onc2C2CC2)s1 ZINC000448758042 1028048802 /nfs/dbraw/zinc/04/88/02/1028048802.db2.gz AXRCCLQVTDXXEH-UHFFFAOYSA-N -1 3 320.418 3.697 20 0 DHADHM C[C@H](c1ccccc1)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448818552 1028101904 /nfs/dbraw/zinc/10/19/04/1028101904.db2.gz MVWVCPWKCMRVTA-CYBMUJFWSA-N -1 3 313.372 3.826 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N(CC1CC1)C1CCCCC1 ZINC000448890415 1028152186 /nfs/dbraw/zinc/15/21/86/1028152186.db2.gz JGAWAQUPECPHGJ-UHFFFAOYSA-N -1 3 305.393 3.645 20 0 DHADHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(O)c1[O-] ZINC000188069899 1028493425 /nfs/dbraw/zinc/49/34/25/1028493425.db2.gz OGZYEUBROZREPF-UHFFFAOYSA-N -1 3 323.801 3.641 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2c([O-])cccc2Cl)c1C ZINC000565199915 1028558977 /nfs/dbraw/zinc/55/89/77/1028558977.db2.gz NFTFXIZNYNUPCK-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000626507690 1028583217 /nfs/dbraw/zinc/58/32/17/1028583217.db2.gz KASXZGITIAIJAU-QWRGUYRKSA-N -1 3 301.308 3.504 20 0 DHADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)Cc1ccsc1 ZINC000626530854 1028590668 /nfs/dbraw/zinc/59/06/68/1028590668.db2.gz DXWZPWYHXVMZBM-CYBMUJFWSA-N -1 3 303.427 3.855 20 0 DHADHM O=C(Nc1n[nH]c2ccccc21)c1cc2sccc2c([O-])c1 ZINC001135392273 1028735489 /nfs/dbraw/zinc/73/54/89/1028735489.db2.gz PXAJJCLJYJQKMF-UHFFFAOYSA-N -1 3 309.350 3.736 20 0 DHADHM O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2ccsc2[n-]1 ZINC000816220389 1028775736 /nfs/dbraw/zinc/77/57/36/1028775736.db2.gz WAPIRDSWSMEGJR-UHFFFAOYSA-N -1 3 317.210 3.879 20 0 DHADHM O=C(NC1CCCCCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001135436620 1028761942 /nfs/dbraw/zinc/76/19/42/1028761942.db2.gz QXYQUCNWSQNUQF-UHFFFAOYSA-N -1 3 318.804 3.634 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000627789789 1028816643 /nfs/dbraw/zinc/81/66/43/1028816643.db2.gz PSKASEVJHPNBNJ-NSHDSACASA-N -1 3 301.308 3.505 20 0 DHADHM CC[C@@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000190212159 1028839897 /nfs/dbraw/zinc/83/98/97/1028839897.db2.gz FTPJBGNKGNMHJK-OAHLLOKOSA-N -1 3 318.244 3.684 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000627979320 1028845750 /nfs/dbraw/zinc/84/57/50/1028845750.db2.gz NVHAGVMHKQFCBB-WDEREUQCSA-N -1 3 301.308 3.552 20 0 DHADHM Cc1ccnc(C2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000816568908 1028948204 /nfs/dbraw/zinc/94/82/04/1028948204.db2.gz SRCVFHBDHGFLBF-UHFFFAOYSA-N -1 3 317.820 3.524 20 0 DHADHM CC(C)c1ccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628397278 1029035109 /nfs/dbraw/zinc/03/51/09/1029035109.db2.gz XNBDUMNZMVNITA-RYUDHWBXSA-N -1 3 311.372 3.879 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000816979253 1029048671 /nfs/dbraw/zinc/04/86/71/1029048671.db2.gz LFDYVMMAZAKWHJ-ZANVPECISA-N -1 3 320.216 3.511 20 0 DHADHM CCC(NC(=O)CCCc1ccc([O-])c(F)c1)(C1CC1)C1CC1 ZINC000628607323 1029101659 /nfs/dbraw/zinc/10/16/59/1029101659.db2.gz UXFAESZCPSSVEH-UHFFFAOYSA-N -1 3 319.420 3.939 20 0 DHADHM Cc1cc([C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000373837674 1029148982 /nfs/dbraw/zinc/14/89/82/1029148982.db2.gz SXURLYSYLBABEP-KRWDZBQOSA-N -1 3 322.364 3.819 20 0 DHADHM Cc1nc2c(-c3ccc([O-])cc3F)cc(C(F)(F)F)cn2n1 ZINC001206088580 1029201704 /nfs/dbraw/zinc/20/17/04/1029201704.db2.gz OEOVGXOVRQPLRZ-UHFFFAOYSA-N -1 3 311.238 3.568 20 0 DHADHM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817946936 1029287014 /nfs/dbraw/zinc/28/70/14/1029287014.db2.gz IEXRXQMZJOYREI-CQSZACIVSA-N -1 3 324.424 3.978 20 0 DHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817946934 1029288043 /nfs/dbraw/zinc/28/80/43/1029288043.db2.gz IEXRXQMZJOYREI-AWEZNQCLSA-N -1 3 324.424 3.978 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCCC12CC2 ZINC000529439548 1029297088 /nfs/dbraw/zinc/29/70/88/1029297088.db2.gz QEXLXYTZXVAHCS-SNVBAGLBSA-N -1 3 324.218 3.982 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629373560 1029316435 /nfs/dbraw/zinc/31/64/35/1029316435.db2.gz JPXSUJGAEFHMOJ-SOLBZPMBSA-N -1 3 316.445 3.589 20 0 DHADHM O=C([O-])CCCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC000629372064 1029317767 /nfs/dbraw/zinc/31/77/67/1029317767.db2.gz CWRJWIZBWWWJRE-UHFFFAOYSA-N -1 3 315.335 3.709 20 0 DHADHM CCc1cc(=O)[n-]c(CSCC[C@H]2CC2(Cl)Cl)n1 ZINC000818151779 1029341877 /nfs/dbraw/zinc/34/18/77/1029341877.db2.gz IDTGQMOWPOANKB-QMMMGPOBSA-N -1 3 307.246 3.562 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccoc1Br ZINC000193449856 1029541914 /nfs/dbraw/zinc/54/19/14/1029541914.db2.gz KGPZXMXEDYTTBY-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219320 1029563692 /nfs/dbraw/zinc/56/36/92/1029563692.db2.gz PZDBOECTNZRIGY-ONGXEEELSA-N -1 3 312.207 3.920 20 0 DHADHM O=C(C=Cc1ccc(Cl)s1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218533 1029704519 /nfs/dbraw/zinc/70/45/19/1029704519.db2.gz MCTFPULOCGCYCH-ZZXKWVIFSA-N -1 3 319.773 3.635 20 0 DHADHM CC(C)Oc1ccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000451391847 1029866093 /nfs/dbraw/zinc/86/60/93/1029866093.db2.gz JIKNCLHWAALTJV-UHFFFAOYSA-N -1 3 317.360 3.524 20 0 DHADHM COC1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CCCC1 ZINC000924080330 1030011701 /nfs/dbraw/zinc/01/17/01/1030011701.db2.gz PUMPYHIFLOTITH-UHFFFAOYSA-N -1 3 324.327 3.617 20 0 DHADHM CCc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1[O-] ZINC000530879202 1030057744 /nfs/dbraw/zinc/05/77/44/1030057744.db2.gz ZEADTDJBRUIHPJ-UHFFFAOYSA-N -1 3 309.409 3.974 20 0 DHADHM CCc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1[O-] ZINC000557376308 1030108878 /nfs/dbraw/zinc/10/88/78/1030108878.db2.gz KRAMPPRGAVXTMX-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccncc1C ZINC000112496672 1030116473 /nfs/dbraw/zinc/11/64/73/1030116473.db2.gz GMQNENPPOKHIKB-UHFFFAOYSA-N -1 3 318.442 3.797 20 0 DHADHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000357648451 1030139085 /nfs/dbraw/zinc/13/90/85/1030139085.db2.gz BCQNMUDBNBKTOC-TZMCWYRMSA-N -1 3 301.773 3.579 20 0 DHADHM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]2CCCC[C@H]12 ZINC000533239375 1030209438 /nfs/dbraw/zinc/20/94/38/1030209438.db2.gz ZJBCYRXKTNSUFG-BZPMIXESSA-N -1 3 317.458 3.798 20 0 DHADHM Cc1c(Cl)cc(Cl)cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001211986502 1030233083 /nfs/dbraw/zinc/23/30/83/1030233083.db2.gz OTCHFCXRKRWTQU-UHFFFAOYSA-N -1 3 311.168 3.850 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1[O-] ZINC001136791719 1030424710 /nfs/dbraw/zinc/42/47/10/1030424710.db2.gz ZAKQWQGWBVDVAE-JSGCOSHPSA-N -1 3 303.402 3.541 20 0 DHADHM COc1ccc(C)cc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533616857 1030461242 /nfs/dbraw/zinc/46/12/42/1030461242.db2.gz YHXVMHQCKYRRKD-UHFFFAOYSA-N -1 3 305.761 3.544 20 0 DHADHM COc1ccc(Nc2ccc([O-])c(F)c2F)c2ncccc12 ZINC001212010924 1030654982 /nfs/dbraw/zinc/65/49/82/1030654982.db2.gz HZHMWYIBCJPFRM-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCOC(=O)c1ccc(C)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011088 1030655460 /nfs/dbraw/zinc/65/54/60/1030655460.db2.gz QOQQSJWFVMTCKU-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM COC(=O)c1cc(C)c(Nc2ccc([O-])c(F)c2F)cc1C ZINC001212013978 1030662804 /nfs/dbraw/zinc/66/28/04/1030662804.db2.gz SUHOZPAMHDZISZ-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM COC(=O)CCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212013953 1030663071 /nfs/dbraw/zinc/66/30/71/1030663071.db2.gz RDUHZPXSHMQDMY-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM COC(=O)c1cc(C)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212016252 1030672895 /nfs/dbraw/zinc/67/28/95/1030672895.db2.gz GNIFXKUPDFDBSH-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(F)(F)CC3)c2c1 ZINC000844206494 1031005602 /nfs/dbraw/zinc/00/56/02/1031005602.db2.gz KBXIBTHJBOXKRH-UHFFFAOYSA-N -1 3 320.339 3.785 20 0 DHADHM [O-]c1cncc(/C=C/c2nc(-c3cc4ccccc4o3)no2)c1 ZINC000359703368 1031105224 /nfs/dbraw/zinc/10/52/24/1031105224.db2.gz BOCFVJJKQLAJBD-AATRIKPKSA-N -1 3 305.293 3.754 20 0 DHADHM Cc1cc(C)cc(CCC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871213197 1031162256 /nfs/dbraw/zinc/16/22/56/1031162256.db2.gz MBQLBWFHJFSPOL-UHFFFAOYSA-N -1 3 303.324 3.626 20 0 DHADHM Cc1ccccc1OCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871212105 1031162848 /nfs/dbraw/zinc/16/28/48/1031162848.db2.gz ISSANYTXXGQMHN-UHFFFAOYSA-N -1 3 319.323 3.544 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](OC3CCC3)CC2)c1 ZINC000871328974 1031197684 /nfs/dbraw/zinc/19/76/84/1031197684.db2.gz NFFFAIUYXODEPB-INIZCTEOSA-N -1 3 317.429 3.518 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1CCCC[C@@H]1C)CC2 ZINC000871621018 1031248060 /nfs/dbraw/zinc/24/80/60/1031248060.db2.gz QZTXNOCEKKXSPI-KBPBESRZSA-N -1 3 317.429 3.578 20 0 DHADHM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000928383309 1031293267 /nfs/dbraw/zinc/29/32/67/1031293267.db2.gz HVMNELSYDIHJIM-GUYCJALGSA-N -1 3 311.381 3.506 20 0 DHADHM O=C([N-]c1cc(Cl)ccc1F)c1cc(-c2ccccn2)no1 ZINC000360251901 1031348760 /nfs/dbraw/zinc/34/87/60/1031348760.db2.gz OJWKGPKZXYAQLL-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC000928779976 1031375609 /nfs/dbraw/zinc/37/56/09/1031375609.db2.gz HVJKHJZSSDDVTR-UHFFFAOYSA-N -1 3 305.403 3.768 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([O-])c1F ZINC000872019209 1031403461 /nfs/dbraw/zinc/40/34/61/1031403461.db2.gz UOZLGYASBIABFA-NWDGAFQWSA-N -1 3 317.360 3.714 20 0 DHADHM CCCOc1ccc(CN[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872035111 1031419248 /nfs/dbraw/zinc/41/92/48/1031419248.db2.gz LLNDOTGHJCWLSB-GFCCVEGCSA-N -1 3 304.365 3.566 20 0 DHADHM COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872040349 1031426397 /nfs/dbraw/zinc/42/63/97/1031426397.db2.gz XZNXTKOTKXADLP-XHDPSFHLSA-N -1 3 317.360 3.714 20 0 DHADHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1cccc([O-])c1F ZINC000872048248 1031435738 /nfs/dbraw/zinc/43/57/38/1031435738.db2.gz HZVRFBVBRAFFGK-NOZJJQNGSA-N -1 3 307.752 3.969 20 0 DHADHM C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1cccc([O-])c1F ZINC000872062175 1031456735 /nfs/dbraw/zinc/45/67/35/1031456735.db2.gz KERPAEAEAGHZSM-SNVBAGLBSA-N -1 3 321.779 3.970 20 0 DHADHM C[C@H](NCc1ccnc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872074031 1031469372 /nfs/dbraw/zinc/46/93/72/1031469372.db2.gz AUHMACLPXRJXOJ-VIFPVBQESA-N -1 3 314.282 3.796 20 0 DHADHM CC(C)[C@@H](O)[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872088415 1031486211 /nfs/dbraw/zinc/48/62/11/1031486211.db2.gz OBWLCLGRAVOKLA-MJXNMMHHSA-N -1 3 317.404 3.940 20 0 DHADHM COCCOCc1ccc(N[C@@H](C)c2cccc([O-])c2F)cc1 ZINC000872090785 1031487585 /nfs/dbraw/zinc/48/75/85/1031487585.db2.gz SIOFYTZVRODCDT-ZDUSSCGKSA-N -1 3 319.376 3.867 20 0 DHADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCC(C)(C)CC)c1C ZINC000872366356 1031594007 /nfs/dbraw/zinc/59/40/07/1031594007.db2.gz CYAWJMBVQOZOLH-GFCCVEGCSA-N -1 3 315.483 3.731 20 0 DHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000293958925 1031720964 /nfs/dbraw/zinc/72/09/64/1031720964.db2.gz PRSHFGMUIWGLHB-CYBMUJFWSA-N -1 3 305.809 3.723 20 0 DHADHM CC(C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001144632694 1031780539 /nfs/dbraw/zinc/78/05/39/1031780539.db2.gz PEUGFOOMGCQHTP-QGZVFWFLSA-N -1 3 315.388 3.977 20 0 DHADHM CCOC(=O)c1cc(NC(=O)CCCCCC(C)(C)C)[n-]n1 ZINC001144676527 1031814527 /nfs/dbraw/zinc/81/45/27/1031814527.db2.gz BJSKDDCGSICLIR-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM CCOC(=O)c1cc(NC(=O)CCCCCC(C)(C)C)n[n-]1 ZINC001144676527 1031814547 /nfs/dbraw/zinc/81/45/47/1031814547.db2.gz BJSKDDCGSICLIR-UHFFFAOYSA-N -1 3 309.410 3.522 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1Cl ZINC000294271599 1031912612 /nfs/dbraw/zinc/91/26/12/1031912612.db2.gz OLGJEGJPURMECA-ZFWWWQNUSA-N -1 3 321.804 3.727 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](CC)c2ccccc2F)c([O-])c1 ZINC001144761823 1031942997 /nfs/dbraw/zinc/94/29/97/1031942997.db2.gz IDSZNPCRLNLFBS-INIZCTEOSA-N -1 3 301.361 3.975 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OC[C@H]1CCC(F)(F)C1 ZINC000842030396 1031955845 /nfs/dbraw/zinc/95/58/45/1031955845.db2.gz XFBDQPIXBHYJNU-ZDUSSCGKSA-N -1 3 319.351 3.866 20 0 DHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000105389878 1032035578 /nfs/dbraw/zinc/03/55/78/1032035578.db2.gz YXSSEDCJSOCMAO-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC(C)c1ccccc1OCCC(=O)[N-]OC1CCCCC1 ZINC000777965117 1032047083 /nfs/dbraw/zinc/04/70/83/1032047083.db2.gz XNOZCVMVZFXTAF-UHFFFAOYSA-N -1 3 305.418 3.959 20 0 DHADHM C[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccccc2[O-])o1 ZINC000877936641 1033520523 /nfs/dbraw/zinc/52/05/23/1033520523.db2.gz BGEPKEHMWRUWLD-ZDUSSCGKSA-N -1 3 321.380 3.784 20 0 DHADHM CC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccc(C)cc1 ZINC000041724745 1033611616 /nfs/dbraw/zinc/61/16/16/1033611616.db2.gz CORQZANCEARMFA-XYSGSMRZSA-N -1 3 320.392 3.875 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1F ZINC000479512297 1033793212 /nfs/dbraw/zinc/79/32/12/1033793212.db2.gz RFMJMRXOWMMZGV-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc(F)c(F)c1 ZINC001173865154 1033897953 /nfs/dbraw/zinc/89/79/53/1033897953.db2.gz JPOUTFUIKMONKT-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)s1 ZINC000339044156 1033934232 /nfs/dbraw/zinc/93/42/32/1033934232.db2.gz OHPIBMGFRDLQEZ-AWEZNQCLSA-N -1 3 324.471 3.517 20 0 DHADHM Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2)c(Cl)c1[O-] ZINC001173943894 1034002990 /nfs/dbraw/zinc/00/29/90/1034002990.db2.gz LNGBUHCAWJYDFN-UHFFFAOYSA-N -1 3 311.790 3.501 20 0 DHADHM CC(C)CNC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174080578 1034137580 /nfs/dbraw/zinc/13/75/80/1034137580.db2.gz ZRWDCRQZCXVSMO-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM Cc1ccc(Nc2cccc(C(=O)N(C)C)c2)c(Cl)c1[O-] ZINC001174086458 1034139203 /nfs/dbraw/zinc/13/92/03/1034139203.db2.gz JPODLCYNKAJAAE-UHFFFAOYSA-N -1 3 304.777 3.799 20 0 DHADHM CCCCNC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174123448 1034146538 /nfs/dbraw/zinc/14/65/38/1034146538.db2.gz LDZKHDAYQJFVKX-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174125653 1034148687 /nfs/dbraw/zinc/14/86/87/1034148687.db2.gz CYWZQTLCYNCXFS-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1Cl ZINC001174152155 1034178284 /nfs/dbraw/zinc/17/82/84/1034178284.db2.gz FQRKHEATKVBHLW-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM O=C(c1cccc(Nc2c(F)cc([O-])cc2F)c1)N1CCCC1 ZINC001174171762 1034196245 /nfs/dbraw/zinc/19/62/45/1034196245.db2.gz AOIBQIKHPQRKPE-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CCCCNC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174189997 1034208781 /nfs/dbraw/zinc/20/87/81/1034208781.db2.gz SNFVGUBRIHCEKM-UHFFFAOYSA-N -1 3 320.339 3.944 20 0 DHADHM COc1ccc2oc(C)c(C(=O)Nc3cccc([O-])c3F)c2c1 ZINC000128299578 1034262571 /nfs/dbraw/zinc/26/25/71/1034262571.db2.gz CRZUOTBGALPONS-UHFFFAOYSA-N -1 3 315.300 3.847 20 0 DHADHM [O-]C(=NOCC(F)F)Nc1nc(C2CCCCC2)cs1 ZINC000880245141 1034264307 /nfs/dbraw/zinc/26/43/07/1034264307.db2.gz IQBOXOYABXVANA-UHFFFAOYSA-N -1 3 305.350 3.509 20 0 DHADHM O=C([N-]OCC(F)F)Nc1nc(C2CCCCC2)cs1 ZINC000880245141 1034264322 /nfs/dbraw/zinc/26/43/22/1034264322.db2.gz IQBOXOYABXVANA-UHFFFAOYSA-N -1 3 305.350 3.509 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174318941 1034285260 /nfs/dbraw/zinc/28/52/60/1034285260.db2.gz FTGCRCHNEVMWQZ-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM Cc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c(C(C)C)n1 ZINC000179642428 1034321382 /nfs/dbraw/zinc/32/13/82/1034321382.db2.gz VLPOSQKNVWVZOF-UHFFFAOYSA-N -1 3 305.765 3.520 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)c1 ZINC000888826964 1034381412 /nfs/dbraw/zinc/38/14/12/1034381412.db2.gz UBICWVFVUPYGJA-YWZLYKJASA-N -1 3 322.408 3.501 20 0 DHADHM [O-]c1cccc(Nc2ccc(CN3CCOCC3)cc2)c1Cl ZINC001174446453 1034389420 /nfs/dbraw/zinc/38/94/20/1034389420.db2.gz DXTKIZIDWIHIQB-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)c1[O-] ZINC000888826875 1034398088 /nfs/dbraw/zinc/39/80/88/1034398088.db2.gz QCZHJWZYRBQCLB-YWZLYKJASA-N -1 3 322.408 3.501 20 0 DHADHM O=C([N-]c1ccnc(Cl)c1Cl)c1nc2ccccc2o1 ZINC001153571211 1034404594 /nfs/dbraw/zinc/40/45/94/1034404594.db2.gz IOYKGHRWWXPCJQ-UHFFFAOYSA-N -1 3 308.124 3.782 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1F ZINC000880892766 1034471066 /nfs/dbraw/zinc/47/10/66/1034471066.db2.gz RIMQQGNZVWMJEV-JTQLQIEISA-N -1 3 323.151 3.712 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1F ZINC000880892766 1034471074 /nfs/dbraw/zinc/47/10/74/1034471074.db2.gz RIMQQGNZVWMJEV-JTQLQIEISA-N -1 3 323.151 3.712 20 0 DHADHM Cc1nc(C[S@@](=O)c2ccc([O-])cc2)sc1C(C)(C)C ZINC000899275420 1034549790 /nfs/dbraw/zinc/54/97/90/1034549790.db2.gz DPCUBOLSQMRHHW-HXUWFJFHSA-N -1 3 309.456 3.762 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000899376830 1034608253 /nfs/dbraw/zinc/60/82/53/1034608253.db2.gz RAPPZKLUMQTEQP-YJYMSZOUSA-N -1 3 313.372 3.684 20 0 DHADHM CCOC(=O)c1c([N-]c2cncc(C)c2)onc1-c1ccccc1 ZINC001174756467 1034611374 /nfs/dbraw/zinc/61/13/74/1034611374.db2.gz IQNJLMOCOZTUPV-UHFFFAOYSA-N -1 3 323.352 3.965 20 0 DHADHM CC(C)Oc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001174759772 1034614241 /nfs/dbraw/zinc/61/42/41/1034614241.db2.gz ORIOJDDJYZCHJW-UHFFFAOYSA-N -1 3 310.357 3.504 20 0 DHADHM C[C@@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)C[C@@H](C)C1(F)F ZINC000629383064 1034644678 /nfs/dbraw/zinc/64/46/78/1034644678.db2.gz SWWZGRBNSUMFDE-GHMZBOCLSA-N -1 3 320.339 3.661 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(F)CC1 ZINC000881607747 1034654044 /nfs/dbraw/zinc/65/40/44/1034654044.db2.gz CYESBKHAHDPYBL-UHFFFAOYSA-N -1 3 313.372 3.557 20 0 DHADHM CCOC(=O)c1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175096865 1034810362 /nfs/dbraw/zinc/81/03/62/1034810362.db2.gz KSGAGZCRSFHMBS-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM COC(=O)c1cc(C)c(Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001175096596 1034811763 /nfs/dbraw/zinc/81/17/63/1034811763.db2.gz DSEFSOXQGOQRMR-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM CCOC(=O)c1ccc(C)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175098131 1034813175 /nfs/dbraw/zinc/81/31/75/1034813175.db2.gz ZBPHPSJLFJWXEH-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)n1 ZINC000192725585 1034817014 /nfs/dbraw/zinc/81/70/14/1034817014.db2.gz TUAGOZWCJJTDND-QWRGUYRKSA-N -1 3 323.343 3.504 20 0 DHADHM CCOc1ccc(C)cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001175127649 1034829266 /nfs/dbraw/zinc/82/92/66/1034829266.db2.gz FUTRYUCRZBMKML-UHFFFAOYSA-N -1 3 314.385 3.545 20 0 DHADHM CC(C)Oc1cc(F)cc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175140649 1034837268 /nfs/dbraw/zinc/83/72/68/1034837268.db2.gz OPCOOLBQILJUHL-UHFFFAOYSA-N -1 3 303.337 3.730 20 0 DHADHM CCOc1cc(/C=C/c2ccncn2)cc(Br)c1[O-] ZINC000157274114 1034837738 /nfs/dbraw/zinc/83/77/38/1034837738.db2.gz TXMMTQBDFUGHJY-ONEGZZNKSA-N -1 3 321.174 3.514 20 0 DHADHM CCOc1cccc(F)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175223697 1034874446 /nfs/dbraw/zinc/87/44/46/1034874446.db2.gz IBLDYKXKRUZYDY-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM CC(=O)OCc1cccc(C)c1Nc1ncc(Cl)cc1[O-] ZINC001212768377 1034882123 /nfs/dbraw/zinc/88/21/23/1034882123.db2.gz CTYBUSZDFGCJRZ-UHFFFAOYSA-N -1 3 306.749 3.556 20 0 DHADHM Cc1nc(Cl)nc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175262342 1034911483 /nfs/dbraw/zinc/91/14/83/1034911483.db2.gz DRPOPYPAQNGHPD-UHFFFAOYSA-N -1 3 306.099 3.819 20 0 DHADHM Cc1cc(Nc2c(F)ccc([O-])c2F)ncc1Br ZINC001175260828 1034911840 /nfs/dbraw/zinc/91/18/40/1034911840.db2.gz CGAKYOQGIURQOD-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCOC(=O)Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267902 1034913343 /nfs/dbraw/zinc/91/33/43/1034913343.db2.gz BZPRPQHNPYLELC-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM COC(=O)c1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264264 1034915014 /nfs/dbraw/zinc/91/50/14/1034915014.db2.gz FCSIRAKJVBUKTD-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM FC(F)(F)Oc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429862 1034977436 /nfs/dbraw/zinc/97/74/36/1034977436.db2.gz SGKWBHMZPDEIJQ-UHFFFAOYSA-N -1 3 321.262 3.509 20 0 DHADHM Cc1ccc2nc(Nc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC001175424886 1034978513 /nfs/dbraw/zinc/97/85/13/1034978513.db2.gz GYJPQIQYZMGQPI-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Clc1c(Nc2ccc(-c3nn[n-]n3)cc2)cnc2ccccc21 ZINC001175427830 1034978961 /nfs/dbraw/zinc/97/89/61/1034978961.db2.gz QONOETSEUHYMPB-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC001175432063 1034979917 /nfs/dbraw/zinc/97/99/17/1034979917.db2.gz RRLVLFNRUPARIZ-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM Clc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175430730 1034980757 /nfs/dbraw/zinc/98/07/57/1034980757.db2.gz VITSPUQMZVRXRA-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC001175430230 1034980991 /nfs/dbraw/zinc/98/09/91/1034980991.db2.gz LKZAUSYBTKBSSA-UHFFFAOYSA-N -1 3 303.728 3.711 20 0 DHADHM Clc1cnc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001175432033 1034981032 /nfs/dbraw/zinc/98/10/32/1034981032.db2.gz QLVVNZFEKMVPDC-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CC(C)(C)c1ccc(O)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430704 1034981316 /nfs/dbraw/zinc/98/13/16/1034981316.db2.gz VCCCJRDNFPGIGJ-UHFFFAOYSA-N -1 3 309.373 3.613 20 0 DHADHM Cn1cc2cccc(Nc3cccc([O-])c3Br)c2n1 ZINC001175467241 1034992791 /nfs/dbraw/zinc/99/27/91/1034992791.db2.gz VQFLRYAZZWZRSN-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CCCC[C@@H]1C ZINC000668023744 1035092057 /nfs/dbraw/zinc/09/20/57/1035092057.db2.gz NLFXOLMVIRENSN-LRDDRELGSA-N -1 3 303.402 3.636 20 0 DHADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC000148310174 1035118898 /nfs/dbraw/zinc/11/88/98/1035118898.db2.gz FACKZOBUKVFILM-UHFFFAOYSA-N -1 3 324.833 3.846 20 0 DHADHM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000568074060 1035180290 /nfs/dbraw/zinc/18/02/90/1035180290.db2.gz VGWASXMTFSKRGJ-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)cs1 ZINC000668142593 1035186748 /nfs/dbraw/zinc/18/67/48/1035186748.db2.gz XVHUEYXSVRYTFE-UHFFFAOYSA-N -1 3 321.452 3.618 20 0 DHADHM O=C([O-])C[C@H](NCc1cc(F)cc(Cl)c1)c1cccs1 ZINC000160869972 1035259891 /nfs/dbraw/zinc/25/98/91/1035259891.db2.gz DYKZCHVDPPDLLV-LBPRGKRZSA-N -1 3 313.781 3.846 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc3c(c2)OCCCO3)n1 ZINC000155858146 1035277301 /nfs/dbraw/zinc/27/73/01/1035277301.db2.gz ZCCYEBXWRHPWDR-LLVKDONJSA-N -1 3 318.398 3.505 20 0 DHADHM O=c1cc(Nc2cccc(OC(F)(F)F)c2)nc(C2CC2)[n-]1 ZINC001176535293 1035287403 /nfs/dbraw/zinc/28/74/03/1035287403.db2.gz IGNBOMRAUYDOKL-UHFFFAOYSA-N -1 3 311.263 3.702 20 0 DHADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000483809731 1035300754 /nfs/dbraw/zinc/30/07/54/1035300754.db2.gz XFUZRNKRYMJMGT-SMDDNHRTSA-N -1 3 308.397 3.545 20 0 DHADHM CCOC(=O)c1sc(SC)nc1[N-]c1cnc(C)s1 ZINC001212128147 1035324256 /nfs/dbraw/zinc/32/42/56/1035324256.db2.gz HFFIJROCJSIMKY-UHFFFAOYSA-N -1 3 315.445 3.550 20 0 DHADHM CC(C)=CCSC[C@H](NCc1cscc1Cl)C(=O)[O-] ZINC000904013300 1035346272 /nfs/dbraw/zinc/34/62/72/1035346272.db2.gz CGHDATDNXKFQAM-LBPRGKRZSA-N -1 3 319.879 3.644 20 0 DHADHM CCOc1cccc(F)c1CN[C@H](CCCC(C)C)C(=O)[O-] ZINC000904037381 1035348840 /nfs/dbraw/zinc/34/88/40/1035348840.db2.gz YYDGFISRCVBTOU-OAHLLOKOSA-N -1 3 311.397 3.594 20 0 DHADHM COc1cc(C)ccc1CN[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904045421 1035351804 /nfs/dbraw/zinc/35/18/04/1035351804.db2.gz JFEKAQIDBRVESF-QGZVFWFLSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1ccc(C)c(CN[C@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904046215 1035352300 /nfs/dbraw/zinc/35/23/00/1035352300.db2.gz XNZWPKTVAUIKJZ-QGZVFWFLSA-N -1 3 301.361 3.748 20 0 DHADHM O=C(N[C@H]1CC12CCC2)c1cc(Oc2ccccc2)ccc1[O-] ZINC001177259799 1035360885 /nfs/dbraw/zinc/36/08/85/1035360885.db2.gz RKAVCSSUBCQHEB-KRWDZBQOSA-N -1 3 309.365 3.857 20 0 DHADHM CCCC[C@H](C)NC(=O)Nc1ccc(Br)cc1[O-] ZINC001193062806 1035547457 /nfs/dbraw/zinc/54/74/57/1035547457.db2.gz VMBMXTLYYVLVRS-VIFPVBQESA-N -1 3 315.211 3.855 20 0 DHADHM CCCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000195534585 1035600691 /nfs/dbraw/zinc/60/06/91/1035600691.db2.gz HVFFFYPHQMOBJO-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM COc1ccc([C@H](C)NCc2csc(C(=O)[O-])c2)cc1C ZINC000905730555 1035633414 /nfs/dbraw/zinc/63/34/14/1035633414.db2.gz ZHUBIHNILVWATF-NSHDSACASA-N -1 3 305.399 3.614 20 0 DHADHM Cc1ccc2oc(C(=O)[N-]c3nnc(C(C)(C)C)s3)cc2n1 ZINC000171549302 1035667607 /nfs/dbraw/zinc/66/76/07/1035667607.db2.gz HTQRFVAZPBUAJK-UHFFFAOYSA-N -1 3 316.386 3.538 20 0 DHADHM Cc1cc2ccccc2n1CC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180434868 1035671318 /nfs/dbraw/zinc/67/13/18/1035671318.db2.gz NPWWVVMETWIKOW-UHFFFAOYSA-N -1 3 314.772 3.947 20 0 DHADHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001180512221 1035691033 /nfs/dbraw/zinc/69/10/33/1035691033.db2.gz OZNLGSAXGGBAGT-UHFFFAOYSA-N -1 3 317.360 3.981 20 0 DHADHM C[C@H]1CCCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193734734 1035710660 /nfs/dbraw/zinc/71/06/60/1035710660.db2.gz IAUZCEPFQYYNMP-JTQLQIEISA-N -1 3 301.308 3.673 20 0 DHADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758111 1035729436 /nfs/dbraw/zinc/72/94/36/1035729436.db2.gz MARZGYZUFNDRRL-UWVGGRQHSA-N -1 3 303.324 3.966 20 0 DHADHM O=C(CC(C1CCC1)C1CCC1)[N-]OCCOc1ccccc1 ZINC001180648795 1035736877 /nfs/dbraw/zinc/73/68/77/1035736877.db2.gz MWJSNTCVVDZUSN-UHFFFAOYSA-N -1 3 317.429 3.720 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@H]1C1CCCCC1 ZINC001193931497 1035765094 /nfs/dbraw/zinc/76/50/94/1035765094.db2.gz UQHMHBCEGUIGBP-HNNXBMFYSA-N -1 3 303.402 3.591 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccncc1C(F)(F)F ZINC000193121972 1035839473 /nfs/dbraw/zinc/83/94/73/1035839473.db2.gz XSAWJBNFCVHWCH-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM O=S(=O)([N-]CCC[C@H]1C=CCC1)c1cc(F)ccc1Cl ZINC001194337224 1035914965 /nfs/dbraw/zinc/91/49/65/1035914965.db2.gz KJMNRKFKROJZDX-NSHDSACASA-N -1 3 317.813 3.504 20 0 DHADHM Cc1cc(SCC(=O)Nc2ncccc2[O-])c(C)cc1Cl ZINC001181521049 1035938900 /nfs/dbraw/zinc/93/89/00/1035938900.db2.gz UAQUUFQOTXYUIO-UHFFFAOYSA-N -1 3 322.817 3.788 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000194034469 1035966434 /nfs/dbraw/zinc/96/64/34/1035966434.db2.gz XDKUYDMDCVCLAK-UHFFFAOYSA-N -1 3 319.426 3.721 20 0 DHADHM CC(C)(C)c1ncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000485981968 1036069606 /nfs/dbraw/zinc/06/96/06/1036069606.db2.gz UGAIXDUJCZFTJD-SREVYHEPSA-N -1 3 301.415 3.984 20 0 DHADHM O=C(Nc1cncc([O-])c1)C1(Cc2ccccc2)CCCCC1 ZINC001182213188 1036138979 /nfs/dbraw/zinc/13/89/79/1036138979.db2.gz BOFIEZYUFCUZIP-UHFFFAOYSA-N -1 3 310.397 3.919 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(Cl)n1 ZINC001195119867 1036142947 /nfs/dbraw/zinc/14/29/47/1036142947.db2.gz CMAKFHVPWYJPNK-UHFFFAOYSA-N -1 3 324.833 3.968 20 0 DHADHM CC1(C)CC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000541032349 1036223482 /nfs/dbraw/zinc/22/34/82/1036223482.db2.gz TXBOBRZYYWVUDW-SECBINFHSA-N -1 3 312.207 3.920 20 0 DHADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]OCCC(F)(F)F)(C3)C2 ZINC000907544363 1036230134 /nfs/dbraw/zinc/23/01/34/1036230134.db2.gz PVWFDWUMZQDGQP-WHCAJBEMSA-N -1 3 305.340 3.593 20 0 DHADHM [O-]c1cccc2sc(NC(=S)Nc3ccccc3F)nc21 ZINC001195736680 1036335788 /nfs/dbraw/zinc/33/57/88/1036335788.db2.gz CSXUOFAMHAIFES-UHFFFAOYSA-N -1 3 319.386 3.950 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N(CC(F)(F)F)C1CC1 ZINC000908270884 1036372033 /nfs/dbraw/zinc/37/20/33/1036372033.db2.gz HNUOMFOGBROQPY-UHFFFAOYSA-N -1 3 315.316 3.774 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2cc3ccccc3o2)n1 ZINC000486738856 1036377948 /nfs/dbraw/zinc/37/79/48/1036377948.db2.gz BTALHDYMSNKODG-UHFFFAOYSA-N -1 3 300.383 3.924 20 0 DHADHM CC(C)c1ccc(C(=O)NCC(C)(C)C(F)(F)F)c([O-])c1 ZINC000669912008 1036428051 /nfs/dbraw/zinc/42/80/51/1036428051.db2.gz CHQXZADZTOXCTQ-UHFFFAOYSA-N -1 3 303.324 3.834 20 0 DHADHM C[C@H]1CCN(Cc2cccc(Cl)c2Cl)[C@H](C(=O)[O-])C1 ZINC000300426757 1036432262 /nfs/dbraw/zinc/43/22/62/1036432262.db2.gz LGHSVAUXSYGWOF-CABZTGNLSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(OCc1cc(Cl)cc2cccnc21)c1ccc([O-])cc1 ZINC000914884502 1036438594 /nfs/dbraw/zinc/43/85/94/1036438594.db2.gz KEPSEZVCWSLUNM-UHFFFAOYSA-N -1 3 313.740 3.951 20 0 DHADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523482811 1036463494 /nfs/dbraw/zinc/46/34/94/1036463494.db2.gz NYXVJBADAPYTDA-DZGCQCFKSA-N -1 3 308.397 3.545 20 0 DHADHM CCN(Cc1cccc([O-])c1Br)c1cccc(O)c1 ZINC001182880734 1036473048 /nfs/dbraw/zinc/47/30/48/1036473048.db2.gz JLWDGPQGNINMQO-UHFFFAOYSA-N -1 3 322.202 3.887 20 0 DHADHM CC1(c2ccc(C(=O)Nc3cc([O-])cc(Cl)c3)cc2)COC1 ZINC001196228048 1036478626 /nfs/dbraw/zinc/47/86/26/1036478626.db2.gz DXPNNJWWMUGZAT-UHFFFAOYSA-N -1 3 317.772 3.586 20 0 DHADHM CCCCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC001182930933 1036492902 /nfs/dbraw/zinc/49/29/02/1036492902.db2.gz JMCDWVBOQKWYPX-UHFFFAOYSA-N -1 3 324.384 3.968 20 0 DHADHM [O-]c1cccc(O[C@H]2Cc3ccc(Br)cc3C2)c1F ZINC001233867913 1036516417 /nfs/dbraw/zinc/51/64/17/1036516417.db2.gz KVMDAZSVZYJJNC-LBPRGKRZSA-N -1 3 323.161 3.840 20 0 DHADHM [O-]c1cc(Cl)ccc1NC(=S)NCc1ccc(F)cc1 ZINC001196490184 1036558923 /nfs/dbraw/zinc/55/89/23/1036558923.db2.gz WIQQUVHDJHWNMH-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CC(C)c1ccc(-c2cc(C(=O)Nc3ncccc3[O-])no2)cc1 ZINC001196742803 1036605325 /nfs/dbraw/zinc/60/53/25/1036605325.db2.gz QZXCENJOSVUIKZ-UHFFFAOYSA-N -1 3 323.352 3.818 20 0 DHADHM C[C@H](OCc1ccccc1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001183494097 1036607861 /nfs/dbraw/zinc/60/78/61/1036607861.db2.gz UFLRYCKEJSRGIK-NSHDSACASA-N -1 3 305.761 3.589 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@](F)(c3ccccc3)C2)n1 ZINC001197076758 1036681184 /nfs/dbraw/zinc/68/11/84/1036681184.db2.gz HCIAEUTVTQRQBA-KBXCAEBGSA-N -1 3 315.392 3.512 20 0 DHADHM O=C(NCc1ncccc1[O-])Nc1cccc(-c2ccccc2)c1 ZINC000495484482 1036683623 /nfs/dbraw/zinc/68/36/23/1036683623.db2.gz KDSNDACRHAHBOD-UHFFFAOYSA-N -1 3 319.364 3.776 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C(F)(F)c1cccc(Cl)c1 ZINC000762317481 1036702413 /nfs/dbraw/zinc/70/24/13/1036702413.db2.gz OXVXTWGRPPWAQO-UHFFFAOYSA-N -1 3 315.678 3.915 20 0 DHADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nn1C1CCC1 ZINC001197437703 1036779084 /nfs/dbraw/zinc/77/90/84/1036779084.db2.gz YXEYIHVDIWWTGO-UHFFFAOYSA-N -1 3 305.765 3.528 20 0 DHADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@H](C)c1cccnc1 ZINC000668810949 1036788388 /nfs/dbraw/zinc/78/83/88/1036788388.db2.gz KEJTWOPIFLUYOR-GFCCVEGCSA-N -1 3 316.426 3.732 20 0 DHADHM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(Cl)c1 ZINC001197556372 1036800052 /nfs/dbraw/zinc/80/00/52/1036800052.db2.gz ILQPFQUXRZJVEM-UHFFFAOYSA-N -1 3 317.744 3.560 20 0 DHADHM Cc1ccncc1/C=C\C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492453165 1036879248 /nfs/dbraw/zinc/87/92/48/1036879248.db2.gz DIWQGKRLJVFKAE-DJWKRKHSSA-N -1 3 322.286 3.766 20 0 DHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1 ZINC000911136022 1037062502 /nfs/dbraw/zinc/06/25/02/1037062502.db2.gz LLUZZMZTSJCXBT-CYBMUJFWSA-N -1 3 308.303 3.580 20 0 DHADHM Cc1ccc(F)c(NC(=O)[N-]c2cc(-c3ccccn3)no2)c1 ZINC001185229028 1037072127 /nfs/dbraw/zinc/07/21/27/1037072127.db2.gz NXNHKZNSJOFVIP-UHFFFAOYSA-N -1 3 312.304 3.828 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ncsc1C1CC1 ZINC000914117862 1037152919 /nfs/dbraw/zinc/15/29/19/1037152919.db2.gz FIGMYDPTRRQFOG-UHFFFAOYSA-N -1 3 320.389 3.827 20 0 DHADHM O=C(OCc1nc2ccccc2o1)c1cccc(Cl)c1[O-] ZINC000775931762 1037193295 /nfs/dbraw/zinc/19/32/95/1037193295.db2.gz BWHXBQNBLJZIIR-UHFFFAOYSA-N -1 3 303.701 3.544 20 0 DHADHM O=C(/C=C\c1cc(Cl)cc(Cl)c1)[N-]OCC(F)(F)F ZINC000311253776 1037288454 /nfs/dbraw/zinc/28/84/54/1037288454.db2.gz LEVVALPWKJCXLY-UPHRSURJSA-N -1 3 314.090 3.617 20 0 DHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(F)c([O-])c1 ZINC001186272834 1037350330 /nfs/dbraw/zinc/35/03/30/1037350330.db2.gz NLIHKJHXOHPQDA-UHFFFAOYSA-N -1 3 324.355 3.878 20 0 DHADHM O=C(Nc1ccc([O-])c(F)c1)N[C@H]1CCCc2ccccc21 ZINC001186452003 1037400159 /nfs/dbraw/zinc/40/01/59/1037400159.db2.gz BDDYNRWCSPQYLC-HNNXBMFYSA-N -1 3 300.333 3.730 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC=CC12CCCCC2 ZINC000912473850 1037406995 /nfs/dbraw/zinc/40/69/95/1037406995.db2.gz KHQLNJJDZSADIV-UHFFFAOYSA-N -1 3 317.404 3.955 20 0 DHADHM O=C(Nc1ncc([O-])cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC001186423431 1037407051 /nfs/dbraw/zinc/40/70/51/1037407051.db2.gz DBYKRZVUCNBORE-CQSZACIVSA-N -1 3 317.776 3.640 20 0 DHADHM CC(=O)c1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1[O-] ZINC001186457624 1037422921 /nfs/dbraw/zinc/42/29/21/1037422921.db2.gz NUDIXLMTVCNOLN-INIZCTEOSA-N -1 3 324.380 3.794 20 0 DHADHM O=C(/C=C\c1ccc(Cl)nc1)Nc1c([O-])cccc1Cl ZINC000493410939 1037433508 /nfs/dbraw/zinc/43/35/08/1037433508.db2.gz APMCPAHKEJDPTI-ALCCZGGFSA-N -1 3 309.152 3.746 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H](C)c4ccccc43)c[n-]c12 ZINC000776123302 1037461615 /nfs/dbraw/zinc/46/16/15/1037461615.db2.gz JVCCEVRKTBFVPE-CYBMUJFWSA-N -1 3 318.376 3.600 20 0 DHADHM Cc1cc(=O)[n-]c(CSCCCOc2cccc(Cl)c2)n1 ZINC000763209544 1037486044 /nfs/dbraw/zinc/48/60/44/1037486044.db2.gz HCUHPCKPSXSZQY-UHFFFAOYSA-N -1 3 324.833 3.846 20 0 DHADHM CCOCc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001187105130 1037563770 /nfs/dbraw/zinc/56/37/70/1037563770.db2.gz ZUGXZTFUZNCKDK-UHFFFAOYSA-N -1 3 305.761 3.834 20 0 DHADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001187130976 1037583104 /nfs/dbraw/zinc/58/31/04/1037583104.db2.gz XLHFZQHVNQIPJD-MWLCHTKSSA-N -1 3 313.394 3.593 20 0 DHADHM COc1cc(C(=O)Nc2ccc(F)c([O-])c2)ccc1OC(C)C ZINC001187570003 1037663263 /nfs/dbraw/zinc/66/32/63/1037663263.db2.gz LPJRBKKCTRUZRS-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1C(F)(F)F ZINC000913019966 1037702910 /nfs/dbraw/zinc/70/29/10/1037702910.db2.gz MSLYDTFEQAYWQD-AWEZNQCLSA-N -1 3 309.287 3.712 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccoc1C(F)(F)F ZINC001187712116 1037706644 /nfs/dbraw/zinc/70/66/44/1037706644.db2.gz VHUUOUJICYTHLZ-UHFFFAOYSA-N -1 3 314.141 3.558 20 0 DHADHM Cc1ccc2ccccc2c1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187757166 1037723654 /nfs/dbraw/zinc/72/36/54/1037723654.db2.gz WJWJBXIROPJFRT-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc2ccccc2c1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187757166 1037723675 /nfs/dbraw/zinc/72/36/75/1037723675.db2.gz WJWJBXIROPJFRT-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1nc2[nH]c(-c3cc([O-])cc(F)c3)nc2cc1Br ZINC000184590956 1037745508 /nfs/dbraw/zinc/74/55/08/1037745508.db2.gz QKADMEXBYNJIMD-UHFFFAOYSA-N -1 3 322.137 3.541 20 0 DHADHM CCOC(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)C)c([O-])c1 ZINC000490792362 1037812711 /nfs/dbraw/zinc/81/27/11/1037812711.db2.gz KCLIZWCLORXFBO-UHFFFAOYSA-N -1 3 307.390 3.580 20 0 DHADHM O=c1[n-]nc(SCCCC2CC2)n1CCc1ccccc1 ZINC001188154743 1037827798 /nfs/dbraw/zinc/82/77/98/1037827798.db2.gz NTWBRKBFQQTYNG-UHFFFAOYSA-N -1 3 303.431 3.509 20 0 DHADHM O=C(c1ccc(Cl)cc1Nc1cncc([O-])c1)C(F)(F)F ZINC001201649958 1037833938 /nfs/dbraw/zinc/83/39/38/1037833938.db2.gz VXPRAKFBNIFRMC-UHFFFAOYSA-N -1 3 316.666 3.929 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1ccc(C2CC2)nc1 ZINC001201703255 1037847678 /nfs/dbraw/zinc/84/76/78/1037847678.db2.gz YNHGPJORQBMKQY-UHFFFAOYSA-N -1 3 306.163 3.566 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000123791937 1037865164 /nfs/dbraw/zinc/86/51/64/1037865164.db2.gz XCGFQDAHCCVBKX-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cnn(C(F)F)c1 ZINC001201744671 1037868396 /nfs/dbraw/zinc/86/83/96/1037868396.db2.gz RSBPSDRMTTXNSS-UHFFFAOYSA-N -1 3 322.084 3.629 20 0 DHADHM CCC(=O)c1ccc(OCCCCC(=O)[N-]OC(C)(C)C)cc1 ZINC000156131573 1037869660 /nfs/dbraw/zinc/86/96/60/1037869660.db2.gz UYQSJTLNXMFNTR-UHFFFAOYSA-N -1 3 321.417 3.675 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1Cl ZINC000063333374 1037892181 /nfs/dbraw/zinc/89/21/81/1037892181.db2.gz HKHINDIJWDVZCI-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201936752 1037929966 /nfs/dbraw/zinc/92/99/66/1037929966.db2.gz RYQCUEJFMKQLCA-LSDHHAIUSA-N -1 3 302.761 3.723 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1C1=NC(C)(C)CO1 ZINC001188655294 1037945232 /nfs/dbraw/zinc/94/52/32/1037945232.db2.gz NLSRQSFYSRJRFM-UHFFFAOYSA-N -1 3 324.380 3.508 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1=NO[C@@H](c2ccccc2)C1 ZINC000055340339 1038106575 /nfs/dbraw/zinc/10/65/75/1038106575.db2.gz DQGWHEOFQNZHIL-OAHLLOKOSA-N -1 3 316.744 3.502 20 0 DHADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001189604938 1038172751 /nfs/dbraw/zinc/17/27/51/1038172751.db2.gz RHJRUAZWGWOSAE-VHSXEESVSA-N -1 3 322.257 3.708 20 0 DHADHM CCOc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000055558261 1038189410 /nfs/dbraw/zinc/18/94/10/1038189410.db2.gz JBQRWVGTDLLUTL-OUKQBFOZSA-N -1 3 317.410 3.806 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189749366 1038205932 /nfs/dbraw/zinc/20/59/32/1038205932.db2.gz SGHXSSNNWIXKHN-NXEZZACHSA-N -1 3 317.307 3.694 20 0 DHADHM O=C(Nc1cncc([O-])c1)NC1c2ccccc2-c2ccccc21 ZINC001190014535 1038242910 /nfs/dbraw/zinc/24/29/10/1038242910.db2.gz IQYGEXOGPGDQIN-UHFFFAOYSA-N -1 3 317.348 3.679 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(C2CC2)cc1 ZINC001190461372 1038323310 /nfs/dbraw/zinc/32/33/10/1038323310.db2.gz SERDCXDHFCUGBP-UHFFFAOYSA-N -1 3 309.337 3.643 20 0 DHADHM Cc1cc(C(=O)Nc2cncc([O-])c2)c(F)cc1C(F)(F)F ZINC001190751586 1038378363 /nfs/dbraw/zinc/37/83/63/1038378363.db2.gz BCHBNGAVVMGKSM-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000588924209 1038406539 /nfs/dbraw/zinc/40/65/39/1038406539.db2.gz XAIWARXHLMPLMS-UHFFFAOYSA-N -1 3 324.384 3.533 20 0 DHADHM COc1ccc(C(C)(C)C)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775432510 1038434710 /nfs/dbraw/zinc/43/47/10/1038434710.db2.gz IMYXWPYQJGCMBT-HNNXBMFYSA-N -1 3 322.405 3.572 20 0 DHADHM COc1ccc(C(C)(C)C)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775432510 1038434714 /nfs/dbraw/zinc/43/47/14/1038434714.db2.gz IMYXWPYQJGCMBT-HNNXBMFYSA-N -1 3 322.405 3.572 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1ccccc1-c1ccccn1 ZINC001191523320 1038512589 /nfs/dbraw/zinc/51/25/89/1038512589.db2.gz OZHSCTZEULKGCI-UHFFFAOYSA-N -1 3 316.426 3.681 20 0 DHADHM O=C(Nc1cncc([O-])c1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191558109 1038519614 /nfs/dbraw/zinc/51/96/14/1038519614.db2.gz OOHURDVWNLXFLH-UHFFFAOYSA-N -1 3 315.226 3.589 20 0 DHADHM Cc1ccc(Cl)c(NC(=O)Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001191673148 1038527038 /nfs/dbraw/zinc/52/70/38/1038527038.db2.gz QODGDXYCYHCZAM-UHFFFAOYSA-N -1 3 318.764 3.665 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@](C)(F)[C@H](F)C2)c([O-])c1 ZINC001192314951 1038625514 /nfs/dbraw/zinc/62/55/14/1038625514.db2.gz VSKXGOLFERVWJV-PBHICJAKSA-N -1 3 311.372 3.602 20 0 DHADHM CCCCCSc1ncccc1C(=O)Nc1ncccc1[O-] ZINC001192575252 1038679496 /nfs/dbraw/zinc/67/94/96/1038679496.db2.gz QVQNBTZOMFHUDD-UHFFFAOYSA-N -1 3 317.414 3.717 20 0 DHADHM O=C(Nc1cccc2ccsc21)c1[n-]cnc1C(F)(F)F ZINC001137732380 1039039036 /nfs/dbraw/zinc/03/90/36/1039039036.db2.gz DOSNZAMMIDRHDA-UHFFFAOYSA-N -1 3 311.288 3.896 20 0 DHADHM O=C(Nc1cccc2ccsc21)c1nc[n-]c1C(F)(F)F ZINC001137732380 1039039052 /nfs/dbraw/zinc/03/90/52/1039039052.db2.gz DOSNZAMMIDRHDA-UHFFFAOYSA-N -1 3 311.288 3.896 20 0 DHADHM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000603842458 1039177766 /nfs/dbraw/zinc/17/77/66/1039177766.db2.gz GOLPCYVEGKOENU-KRWDZBQOSA-N -1 3 311.381 3.550 20 0 DHADHM CCC[C@H](CCCCNCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000669480826 1039495085 /nfs/dbraw/zinc/49/50/85/1039495085.db2.gz JNYXGNVBIHYXRZ-CYBMUJFWSA-N -1 3 324.490 3.783 20 0 DHADHM CCN(CC)Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])o1 ZINC000605878032 1039758161 /nfs/dbraw/zinc/75/81/61/1039758161.db2.gz MHQYHFAWUQLYAK-UHFFFAOYSA-N -1 3 322.792 3.733 20 0 DHADHM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606670961 1039945952 /nfs/dbraw/zinc/94/59/52/1039945952.db2.gz JFJYQSUVXCAWIV-KGLIPLIRSA-N -1 3 308.397 3.545 20 0 DHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669558 1039947133 /nfs/dbraw/zinc/94/71/33/1039947133.db2.gz XRKJIJXTWNNVFQ-ZFWWWQNUSA-N -1 3 308.397 3.689 20 0 DHADHM CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000595614004 1040208621 /nfs/dbraw/zinc/20/86/21/1040208621.db2.gz NPVXYMUVFNZGBV-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM CC(C)c1ccc(C(=O)NCCc2nc3ccccc3o2)c([O-])c1 ZINC000608490590 1040521021 /nfs/dbraw/zinc/52/10/21/1040521021.db2.gz BJALGDNCXVIIEM-UHFFFAOYSA-N -1 3 324.380 3.629 20 0 DHADHM CCC(C)(C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000608582915 1040563242 /nfs/dbraw/zinc/56/32/42/1040563242.db2.gz BZQHYVGTAXIWHT-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM [O-]c1cc(CN2CC[C@@](CF)(C(F)(F)F)C2)ccc1Cl ZINC001231733084 1040567683 /nfs/dbraw/zinc/56/76/83/1040567683.db2.gz LXUCJWKFSIPSMY-LBPRGKRZSA-N -1 3 311.706 3.770 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456248571 1040748259 /nfs/dbraw/zinc/74/82/59/1040748259.db2.gz KBPYXPZVPVUKSD-BEFAXECRSA-N -1 3 317.404 3.501 20 0 DHADHM CC(C)COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000534211525 1040752844 /nfs/dbraw/zinc/75/28/44/1040752844.db2.gz SBTDRDKUIPNARK-UHFFFAOYSA-N -1 3 303.333 3.818 20 0 DHADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000534452019 1040855814 /nfs/dbraw/zinc/85/58/14/1040855814.db2.gz MBAPHKDLERAASM-QGZVFWFLSA-N -1 3 319.351 3.726 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000092429897 185317821 /nfs/dbraw/zinc/31/78/21/185317821.db2.gz PSHLHKLHSSNVPX-GDBMZVCRSA-N -1 3 315.413 3.536 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000343296234 334955979 /nfs/dbraw/zinc/95/59/79/334955979.db2.gz LPIFHGQJFHHCSX-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM COc1cccc(Cl)c1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000417541906 334962290 /nfs/dbraw/zinc/96/22/90/334962290.db2.gz ZEVVOXMXXKGDHR-NEPJUHHUSA-N -1 3 313.825 3.718 20 0 DHADHM Cc1cc(Cl)cc(C)c1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417616641 335009339 /nfs/dbraw/zinc/00/93/39/335009339.db2.gz BHUOZQDJOZXUES-JTQLQIEISA-N -1 3 323.742 3.700 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC000417628330 335016564 /nfs/dbraw/zinc/01/65/64/335016564.db2.gz WAABNCCNZZAZCW-TZMCWYRMSA-N -1 3 315.344 3.513 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cccnc2Cl)s1 ZINC000014714492 181966991 /nfs/dbraw/zinc/96/69/91/181966991.db2.gz NITAUMVGOUZMPG-UHFFFAOYSA-N -1 3 310.810 3.572 20 0 DHADHM O=C([O-])C[C@H](CNCc1ccc2ccccc2c1)C(F)(F)F ZINC000417629429 335018682 /nfs/dbraw/zinc/01/86/82/335018682.db2.gz QEMGFTUANNNNOO-CQSZACIVSA-N -1 3 311.303 3.583 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(F)c(Cl)c1 ZINC000016129383 182034980 /nfs/dbraw/zinc/03/49/80/182034980.db2.gz ZYJRFRJJCGXNFX-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CCC[C@@H](CCCCNCc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000417635795 335021265 /nfs/dbraw/zinc/02/12/65/335021265.db2.gz FSHRRGDRMFCEJO-LBPRGKRZSA-N -1 3 317.351 3.865 20 0 DHADHM Cc1ccc(C[C@H](NCc2sccc2Cl)C(=O)[O-])cc1C ZINC000417653571 335030139 /nfs/dbraw/zinc/03/01/39/335030139.db2.gz QWHVTMCSZMHQRD-AWEZNQCLSA-N -1 3 323.845 3.804 20 0 DHADHM Cc1ccc(C[C@@H](NCc2sccc2Cl)C(=O)[O-])cc1C ZINC000417653572 335030220 /nfs/dbraw/zinc/03/02/20/335030220.db2.gz QWHVTMCSZMHQRD-CQSZACIVSA-N -1 3 323.845 3.804 20 0 DHADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000042853690 183314191 /nfs/dbraw/zinc/31/41/91/183314191.db2.gz UROFUBZIIMMBPD-UHFFFAOYSA-N -1 3 310.448 3.631 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc(C2CCC2)cs1 ZINC000563852615 335057578 /nfs/dbraw/zinc/05/75/78/335057578.db2.gz VKSREGQOICNEHC-UHFFFAOYSA-N -1 3 322.459 3.812 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1cc(Cl)sc1Cl ZINC000417697816 335060074 /nfs/dbraw/zinc/06/00/74/335060074.db2.gz FPABZLYEJCHFPV-SECBINFHSA-N -1 3 308.230 3.788 20 0 DHADHM FC(F)(F)CCc1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000273873890 130181098 /nfs/dbraw/zinc/18/10/98/130181098.db2.gz UDGCJEHTGCXNHW-UHFFFAOYSA-N -1 3 300.067 3.866 20 0 DHADHM COc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1F ZINC000274341895 130226796 /nfs/dbraw/zinc/22/67/96/130226796.db2.gz DWCMPPFXWCPKKB-NSHDSACASA-N -1 3 315.344 3.694 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000275333123 130306150 /nfs/dbraw/zinc/30/61/50/130306150.db2.gz QIDPTUTXJVGHGJ-UHFFFAOYSA-N -1 3 319.670 3.611 20 0 DHADHM COc1cc(Cl)c(CN[C@H](C)CCCC(=O)[O-])cc1Cl ZINC000277482686 130615677 /nfs/dbraw/zinc/61/56/77/130615677.db2.gz WTDFLGUWGQAKSW-SECBINFHSA-N -1 3 320.216 3.735 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000284207731 131059546 /nfs/dbraw/zinc/05/95/46/131059546.db2.gz LNKNOYOOLGJYDA-SNVBAGLBSA-N -1 3 301.789 3.848 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2nc(C(C)C)oc2C)s1 ZINC000285252502 131151343 /nfs/dbraw/zinc/15/13/43/131151343.db2.gz ZVYJPARGBXHKJU-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM O=C(NC(C1CCC1)C1CCC1)c1c[n-]c2ccccc2c1=O ZINC000286825429 131251273 /nfs/dbraw/zinc/25/12/73/131251273.db2.gz XNNFGZYLUDOLKA-UHFFFAOYSA-N -1 3 310.397 3.639 20 0 DHADHM CC(C)(C)c1cc2c([n-]c(-c3ccc(F)cn3)nc2=O)s1 ZINC000287252934 131271039 /nfs/dbraw/zinc/27/10/39/131271039.db2.gz POLAYJKGWJVDHQ-UHFFFAOYSA-N -1 3 303.362 3.896 20 0 DHADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)C1CCC(F)(F)CC1 ZINC000288335359 131320882 /nfs/dbraw/zinc/32/08/82/131320882.db2.gz SMPQKNYBORWVSW-UHFFFAOYSA-N -1 3 320.339 3.590 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(Cl)ccn1 ZINC000340314623 131382900 /nfs/dbraw/zinc/38/29/00/131382900.db2.gz KJACQNLCFPNZKV-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000294684650 131853353 /nfs/dbraw/zinc/85/33/53/131853353.db2.gz VEXIOLLXEWGVIB-MEDUHNTESA-N -1 3 317.410 3.651 20 0 DHADHM CCOc1cc(CN2CCC[C@H]2CSC)cc(Cl)c1[O-] ZINC000340561262 132002687 /nfs/dbraw/zinc/00/26/87/132002687.db2.gz KMFWTGZMCBYVTA-LBPRGKRZSA-N -1 3 315.866 3.772 20 0 DHADHM Cc1ccc(-c2ncccc2NC([O-])=NOCC2CC2)s1 ZINC000297654167 132027882 /nfs/dbraw/zinc/02/78/82/132027882.db2.gz DLHUWVKWTKFILK-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM Cc1ccc(-c2ncccc2NC(=O)[N-]OCC2CC2)s1 ZINC000297654167 132027884 /nfs/dbraw/zinc/02/78/84/132027884.db2.gz DLHUWVKWTKFILK-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM Cc1cc(-c2ncccc2NC([O-])=NOCC2CC2)cs1 ZINC000297830614 132036141 /nfs/dbraw/zinc/03/61/41/132036141.db2.gz NJGRVHKGBHPUGZ-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM Cc1cc(-c2ncccc2NC(=O)[N-]OCC2CC2)cs1 ZINC000297830614 132036143 /nfs/dbraw/zinc/03/61/43/132036143.db2.gz NJGRVHKGBHPUGZ-UHFFFAOYSA-N -1 3 303.387 3.582 20 0 DHADHM CCOc1cc(CN(CC)Cc2ccncc2)cc(Cl)c1[O-] ZINC000298195965 132050321 /nfs/dbraw/zinc/05/03/21/132050321.db2.gz XKVYCUFJMUYFTD-UHFFFAOYSA-N -1 3 320.820 3.861 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C(C)C3CC3)c2)n1 ZINC000298833266 132078986 /nfs/dbraw/zinc/07/89/86/132078986.db2.gz AJUOTHNZGXHJOQ-FMIVXFBMSA-N -1 3 323.396 3.706 20 0 DHADHM C[C@@H]1CCc2c(sc3[n-]c(-c4cscn4)nc(=O)c23)C1 ZINC000299018838 132086435 /nfs/dbraw/zinc/08/64/35/132086435.db2.gz HSFRKGHCEXKFER-SSDOTTSWSA-N -1 3 303.412 3.645 20 0 DHADHM C[C@@H]1CCc2nc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)sc2C1 ZINC000340679924 132145400 /nfs/dbraw/zinc/14/54/00/132145400.db2.gz WUWHEALBKQECFN-NEPJUHHUSA-N -1 3 324.490 3.637 20 0 DHADHM CCC[C@@](C)(NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000340680054 132146196 /nfs/dbraw/zinc/14/61/96/132146196.db2.gz KSKQRVKRCADAPG-CQSZACIVSA-N -1 3 310.444 3.605 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1cccc(Cl)c1Cl ZINC000417712488 335067723 /nfs/dbraw/zinc/06/77/23/335067723.db2.gz XEKITWUBZHUHCN-GFCCVEGCSA-N -1 3 302.201 3.726 20 0 DHADHM CCC[C@@H](C)c1cc([N-]C(=O)c2ocnc2C(F)(F)F)n[nH]1 ZINC000636059800 430451680 /nfs/dbraw/zinc/45/16/80/430451680.db2.gz IPJQLOGVUWISRF-SSDOTTSWSA-N -1 3 316.283 3.572 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000109037192 331504678 /nfs/dbraw/zinc/50/46/78/331504678.db2.gz IWCZKHDPKZKEMP-UHFFFAOYSA-N -1 3 317.142 3.872 20 0 DHADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188413455 331608500 /nfs/dbraw/zinc/60/85/00/331608500.db2.gz FRAMOQWTPWTCDG-OKILXGFUSA-N -1 3 323.392 3.636 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc3ccccn3c2)c2c([O-])cccc21 ZINC000186259472 332919471 /nfs/dbraw/zinc/91/94/71/332919471.db2.gz OFZBTHUHYDHNMO-CYBMUJFWSA-N -1 3 306.365 3.799 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000530897059 331633510 /nfs/dbraw/zinc/63/35/10/331633510.db2.gz GVVAXKLPOYGCHO-MNZLEMJZSA-N -1 3 307.393 3.968 20 0 DHADHM Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C2)c([O-])c1C ZINC000089926586 332080270 /nfs/dbraw/zinc/08/02/70/332080270.db2.gz SLRNKQYMHNIHTM-UHFFFAOYSA-N -1 3 320.392 3.689 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCCC2(C1)CCCCCC2 ZINC000092123414 332119678 /nfs/dbraw/zinc/11/96/78/332119678.db2.gz NXXLWVSYLFVKSH-UHFFFAOYSA-N -1 3 303.402 3.674 20 0 DHADHM CCCCN(C(=O)c1cccc2[n-]nnc21)[C@H]1CCC[C@H](C)C1 ZINC000569522415 332122970 /nfs/dbraw/zinc/12/29/70/332122970.db2.gz MNFUEFXZAVZUCK-KBPBESRZSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2nn[n-]c21)[C@H]1CCC[C@H](C)C1 ZINC000569522415 332122972 /nfs/dbraw/zinc/12/29/72/332122972.db2.gz MNFUEFXZAVZUCK-KBPBESRZSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCC[C@H](C)C1 ZINC000569522415 332122974 /nfs/dbraw/zinc/12/29/74/332122974.db2.gz MNFUEFXZAVZUCK-KBPBESRZSA-N -1 3 314.433 3.779 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000426777232 332135689 /nfs/dbraw/zinc/13/56/89/332135689.db2.gz LQGIEJQGLOLNCW-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM O=c1[n-]c(CN2C[C@H]3CCCC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000426797239 332154788 /nfs/dbraw/zinc/15/47/88/332154788.db2.gz AQRWNTBHDGFHNX-CHWSQXEVSA-N -1 3 323.396 3.704 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000426798758 332155165 /nfs/dbraw/zinc/15/51/65/332155165.db2.gz GGLDPHOEAWCHTJ-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426804092 332155496 /nfs/dbraw/zinc/15/54/96/332155496.db2.gz RUOBBJGSRDCAGC-KRWDZBQOSA-N -1 3 301.361 3.865 20 0 DHADHM CC(C)COc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426831411 332156368 /nfs/dbraw/zinc/15/63/68/332156368.db2.gz DWVNMBUNUQKPRK-MRXNPFEDSA-N -1 3 319.426 3.698 20 0 DHADHM CCc1ccc([C@H](NCc2ccc(F)c(C)c2)C(=O)[O-])cc1 ZINC000426811734 332156976 /nfs/dbraw/zinc/15/69/76/332156976.db2.gz NYVQGLXJJOKGBY-KRWDZBQOSA-N -1 3 301.361 3.612 20 0 DHADHM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000426816710 332157396 /nfs/dbraw/zinc/15/73/96/332157396.db2.gz LXUVYEGQQXIMLK-GOSISDBHSA-N -1 3 313.397 3.637 20 0 DHADHM CCn1cc(Br)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000040887343 332207359 /nfs/dbraw/zinc/20/73/59/332207359.db2.gz DKQRJRCQTUROOX-UHFFFAOYSA-N -1 3 323.190 3.537 20 0 DHADHM CCC[C@@H](C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000531015311 332210875 /nfs/dbraw/zinc/21/08/75/332210875.db2.gz QSXCPULPLFVVPP-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC12CCCC2 ZINC000559798758 332282369 /nfs/dbraw/zinc/28/23/69/332282369.db2.gz LIQBHECNLDTVQE-JTQLQIEISA-N -1 3 310.191 3.674 20 0 DHADHM CCc1cccc(-c2nc(-c3cccc4[nH]c(C)nc43)no2)c1[O-] ZINC000559983747 332299403 /nfs/dbraw/zinc/29/94/03/332299403.db2.gz LLDJLOQLRHNFQN-UHFFFAOYSA-N -1 3 320.352 3.856 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CC34CCOCC4)n2)c2ccccc12 ZINC000560086775 332310083 /nfs/dbraw/zinc/31/00/83/332310083.db2.gz CVBATDTYBLBPMS-HNNXBMFYSA-N -1 3 322.364 3.880 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000560166577 332316283 /nfs/dbraw/zinc/31/62/83/332316283.db2.gz ISUVMZIGISWHMG-UHFFFAOYSA-N -1 3 310.246 3.706 20 0 DHADHM CC(C)=CCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000560208137 332319241 /nfs/dbraw/zinc/31/92/41/332319241.db2.gz ZNVNMMBWILYOEM-UHFFFAOYSA-N -1 3 312.398 3.579 20 0 DHADHM CN[C@@H](CC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000387541538 332338062 /nfs/dbraw/zinc/33/80/62/332338062.db2.gz PCMHGAJQKQKMHW-NSHDSACASA-N -1 3 319.232 3.662 20 0 DHADHM Cc1ccc2c(CN3CCCC[C@H]3c3cc[nH]n3)ccc([O-])c2n1 ZINC000560468592 332343193 /nfs/dbraw/zinc/34/31/93/332343193.db2.gz GSAHYCBKVNXESO-KRWDZBQOSA-N -1 3 322.412 3.699 20 0 DHADHM COc1ccc([O-])c(C(=O)N([C@H](C)c2ccccc2)C2CC2)c1 ZINC000560607617 332368894 /nfs/dbraw/zinc/36/88/94/332368894.db2.gz FRAVMVZBIIBTDD-CYBMUJFWSA-N -1 3 311.381 3.767 20 0 DHADHM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC1CC1 ZINC000566353377 332371914 /nfs/dbraw/zinc/37/19/14/332371914.db2.gz ATIAJGAWZCPWQC-OAHLLOKOSA-N -1 3 323.820 3.568 20 0 DHADHM C[C@@H]1CC[C@H](C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000408245927 332387810 /nfs/dbraw/zinc/38/78/10/332387810.db2.gz JMIHUGIIMDHONK-NWDGAFQWSA-N -1 3 311.385 3.702 20 0 DHADHM Cc1ccc(F)c([N-]C(=O)c2scnc2C(F)(F)F)c1 ZINC000561109730 332411523 /nfs/dbraw/zinc/41/15/23/332411523.db2.gz OYOCFFTYMULBBH-UHFFFAOYSA-N -1 3 304.268 3.862 20 0 DHADHM Cc1cc(C(=O)NCc2c(Cl)cccc2Cl)ccc1[O-] ZINC000561497564 332456230 /nfs/dbraw/zinc/45/62/30/332456230.db2.gz LAZHYKWVRCQNCG-UHFFFAOYSA-N -1 3 310.180 3.937 20 0 DHADHM CCN(Cc1ccc(C)cc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000532020562 334376020 /nfs/dbraw/zinc/37/60/20/334376020.db2.gz NOXVJXKGOONRNB-UHFFFAOYSA-N -1 3 317.816 3.945 20 0 DHADHM CCn1nc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000562288582 332568667 /nfs/dbraw/zinc/56/86/67/332568667.db2.gz OLQQJXCLLXSKGP-MDZDMXLPSA-N -1 3 306.369 3.600 20 0 DHADHM O=C(Nc1cnc2n1CCCC2)c1cc2cc(Cl)sc2[n-]1 ZINC000562770024 332624168 /nfs/dbraw/zinc/62/41/68/332624168.db2.gz HHWNCGZNDKGKRB-UHFFFAOYSA-N -1 3 320.805 3.668 20 0 DHADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000562800057 332627822 /nfs/dbraw/zinc/62/78/22/332627822.db2.gz KJYLBIZGVIHZLH-KBPBESRZSA-N -1 3 308.447 3.534 20 0 DHADHM Cc1cnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)o1 ZINC000443933663 332645929 /nfs/dbraw/zinc/64/59/29/332645929.db2.gz HTKIGXLVCXPGDR-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM CCc1c([N-]C(=O)c2c(F)cccc2F)onc1C(F)(F)F ZINC000569901484 332690971 /nfs/dbraw/zinc/69/09/71/332690971.db2.gz FYKWXMROVSVUBQ-UHFFFAOYSA-N -1 3 320.217 3.786 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)c1[O-] ZINC000180580359 333029014 /nfs/dbraw/zinc/02/90/14/333029014.db2.gz DKILXCCVJGKBQW-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1-c1ccc(C)cc1 ZINC000183082192 333052562 /nfs/dbraw/zinc/05/25/62/333052562.db2.gz YFYRRKPAEYIYPM-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(Cc2ccccc2F)CC1 ZINC000188835320 333056196 /nfs/dbraw/zinc/05/61/96/333056196.db2.gz WQJBHVUNMMDSBS-UHFFFAOYSA-N -1 3 303.308 3.632 20 0 DHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000460432364 333085880 /nfs/dbraw/zinc/08/58/80/333085880.db2.gz CGBGGKYDPOBNPH-UHFFFAOYSA-N -1 3 307.390 3.924 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc(C)c1F ZINC000460450317 333089055 /nfs/dbraw/zinc/08/90/55/333089055.db2.gz RHGOUYJQMDRGDS-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(C)c1F ZINC000460823717 333145025 /nfs/dbraw/zinc/14/50/25/333145025.db2.gz LFNHIAJOOYILIL-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000179543404 333152540 /nfs/dbraw/zinc/15/25/40/333152540.db2.gz MJVMHNNRBOPATA-IUODEOHRSA-N -1 3 324.380 3.547 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cccc(F)c1Br ZINC000497159553 333183960 /nfs/dbraw/zinc/18/39/60/333183960.db2.gz ZDKSYMCSBNWNHI-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCO[N-]C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000183970906 333190485 /nfs/dbraw/zinc/19/04/85/333190485.db2.gz FRQCFAWTIVUEHR-UHFFFAOYSA-N -1 3 314.385 3.519 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000525767695 333249553 /nfs/dbraw/zinc/24/95/53/333249553.db2.gz OFEXHBMYXSMVCZ-QGZVFWFLSA-N -1 3 309.409 3.659 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(COC)cc2)CC)n1 ZINC000193619492 333304873 /nfs/dbraw/zinc/30/48/73/333304873.db2.gz SRCAPSATXLCOSN-WJDWOHSUSA-N -1 3 312.413 3.819 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531230798 333336757 /nfs/dbraw/zinc/33/67/57/333336757.db2.gz DPHGTGWUGKFYTH-VXGBXAGGSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1ccncc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000531351757 333345572 /nfs/dbraw/zinc/34/55/72/333345572.db2.gz PCNOUUIRTNLDFC-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531373730 333347014 /nfs/dbraw/zinc/34/70/14/333347014.db2.gz ODTRZKBLTLHLHQ-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(F)ccc3[O-])cc21 ZINC000531373213 333347175 /nfs/dbraw/zinc/34/71/75/333347175.db2.gz IPRYPRZGGAOMDD-UHFFFAOYSA-N -1 3 302.280 3.712 20 0 DHADHM COc1cc(C2(C(=O)Nc3ccccc3[O-])CCC2)ccc1C ZINC000531396608 333349534 /nfs/dbraw/zinc/34/95/34/333349534.db2.gz HIACOWDKFACFBK-UHFFFAOYSA-N -1 3 311.381 3.770 20 0 DHADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531396175 333349595 /nfs/dbraw/zinc/34/95/95/333349595.db2.gz PZOQDMWYAHHAFM-INIZCTEOSA-N -1 3 303.333 3.636 20 0 DHADHM CCSCc1cc(C(=O)Nc2cc(Cl)ccc2[O-])no1 ZINC000186210057 333371978 /nfs/dbraw/zinc/37/19/78/333371978.db2.gz VIVKGHOYBGKOHM-UHFFFAOYSA-N -1 3 312.778 3.539 20 0 DHADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1C(C)C ZINC000186286047 333372706 /nfs/dbraw/zinc/37/27/06/333372706.db2.gz CZNDNTPHHRKKKZ-GFCCVEGCSA-N -1 3 313.401 3.632 20 0 DHADHM CCOc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000186929990 333381349 /nfs/dbraw/zinc/38/13/49/333381349.db2.gz HWQZZNLJFMFBJX-UHFFFAOYSA-N -1 3 313.382 3.789 20 0 DHADHM CCOc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000186929990 333381351 /nfs/dbraw/zinc/38/13/51/333381351.db2.gz HWQZZNLJFMFBJX-UHFFFAOYSA-N -1 3 313.382 3.789 20 0 DHADHM Cn1nc(C2CCCCC2)cc1NCc1cc([O-])cc(F)c1 ZINC000185579741 335141309 /nfs/dbraw/zinc/14/13/09/335141309.db2.gz IVTYJOYCVDUULG-UHFFFAOYSA-N -1 3 303.381 3.925 20 0 DHADHM CCc1cccc(C(=O)N2CCc3ccc(Cl)cc32)c1[O-] ZINC000531463951 333410233 /nfs/dbraw/zinc/41/02/33/333410233.db2.gz CSETWANWODOSJD-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM CO[C@@](C)(c1noc(-c2ccc3c(c2[O-])CCCC3)n1)C1CC1 ZINC000571010305 333478829 /nfs/dbraw/zinc/47/88/29/333478829.db2.gz PKJYDOFPJOENNH-GOSISDBHSA-N -1 3 314.385 3.593 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1CCC(C(F)(F)F)CC1 ZINC000216392457 333488087 /nfs/dbraw/zinc/48/80/87/333488087.db2.gz ZWVUMXVUIHQLTH-UHFFFAOYSA-N -1 3 305.271 3.839 20 0 DHADHM CC(C)(C)[C@H](CNCc1coc(-c2ccccc2)n1)CC(=O)[O-] ZINC000426640685 333510875 /nfs/dbraw/zinc/51/08/75/333510875.db2.gz UBVRIWZEUZMUJA-AWEZNQCLSA-N -1 3 316.401 3.568 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000124090663 333542771 /nfs/dbraw/zinc/54/27/71/333542771.db2.gz VYFPXPBTWKURBN-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000534312042 333575263 /nfs/dbraw/zinc/57/52/63/333575263.db2.gz QWBIKDGEMADBLK-CQSZACIVSA-N -1 3 315.344 3.678 20 0 DHADHM O=c1cc(COc2ccc(Cl)c(F)c2F)nc(C2CC2)[n-]1 ZINC000413012475 333826654 /nfs/dbraw/zinc/82/66/54/333826654.db2.gz LXLFOILRGXKJAP-UHFFFAOYSA-N -1 3 312.703 3.570 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@@]3(C)C(C)C)nc2)n1 ZINC000413428490 333847447 /nfs/dbraw/zinc/84/74/47/333847447.db2.gz BPTOCKXAEOWEKJ-KDOFPFPSSA-N -1 3 312.417 3.653 20 0 DHADHM C[C@H]1CCN(C(=O)[C@@H]2CCc3ccccc3O2)c2c([O-])cccc21 ZINC000413711788 333868233 /nfs/dbraw/zinc/86/82/33/333868233.db2.gz KLIIZTAFBMNDIS-UGSOOPFHSA-N -1 3 323.392 3.626 20 0 DHADHM COc1ccc2occ(-c3nc(-c4ccc([O-])cc4)no3)c2c1 ZINC000436873119 334013654 /nfs/dbraw/zinc/01/36/54/334013654.db2.gz VIWZBULUSOPXFR-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM CC(C)N(C)c1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000414633939 334048554 /nfs/dbraw/zinc/04/85/54/334048554.db2.gz AFJOGGGDZCLKHH-UHFFFAOYSA-N -1 3 312.413 3.519 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000414637032 334049646 /nfs/dbraw/zinc/04/96/46/334049646.db2.gz LIOLQIVCPHLXIF-UHFFFAOYSA-N -1 3 317.429 3.556 20 0 DHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccncc2)cc1F ZINC000414672652 334064983 /nfs/dbraw/zinc/06/49/83/334064983.db2.gz CCVTYCOQHZZWBR-CYBMUJFWSA-N -1 3 316.376 3.573 20 0 DHADHM O=C([O-])[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414674671 334065366 /nfs/dbraw/zinc/06/53/66/334065366.db2.gz FQFBYJVYYABEMC-KRWDZBQOSA-N -1 3 313.372 3.789 20 0 DHADHM O=C([O-])[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414674675 334065559 /nfs/dbraw/zinc/06/55/59/334065559.db2.gz FQFBYJVYYABEMC-QGZVFWFLSA-N -1 3 313.372 3.789 20 0 DHADHM O=C([O-])CCCCNCc1cc(C(F)(F)F)ccc1Cl ZINC000414686385 334069003 /nfs/dbraw/zinc/06/90/03/334069003.db2.gz VKUVDQDIILANKX-UHFFFAOYSA-N -1 3 309.715 3.703 20 0 DHADHM Cc1ccc(-c2ccc(CNCCCCCC(=O)[O-])o2)cc1 ZINC000277073120 334086437 /nfs/dbraw/zinc/08/64/37/334086437.db2.gz VTXOXJLRQDRKPH-UHFFFAOYSA-N -1 3 301.386 3.990 20 0 DHADHM [O-]c1cccc(CN[C@H](CCCO)c2ccccc2)c1Cl ZINC000293684849 334200903 /nfs/dbraw/zinc/20/09/03/334200903.db2.gz VYYWJSLCYHKVSF-OAHLLOKOSA-N -1 3 305.805 3.649 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2CCSc3ccccc32)c1F ZINC000294396777 334209079 /nfs/dbraw/zinc/20/90/79/334209079.db2.gz VQUMETUIZVVSOU-ZDUSSCGKSA-N -1 3 307.365 3.997 20 0 DHADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000124654612 334263419 /nfs/dbraw/zinc/26/34/19/334263419.db2.gz YEJIJJJRVUTLCZ-AWEZNQCLSA-N -1 3 313.397 3.933 20 0 DHADHM O=C(CCCOc1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000111211312 334306806 /nfs/dbraw/zinc/30/68/06/334306806.db2.gz KKBJTCPGEZZITO-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000111686795 334353651 /nfs/dbraw/zinc/35/36/51/334353651.db2.gz BPECFRKVHBIMJK-UHFFFAOYSA-N -1 3 302.717 3.771 20 0 DHADHM COC(=O)c1cc([N-]C(=O)c2occc2C(C)C)c(F)cc1F ZINC000340842823 334385829 /nfs/dbraw/zinc/38/58/29/334385829.db2.gz JKAJAXLXUCOVNR-UHFFFAOYSA-N -1 3 323.295 3.720 20 0 DHADHM Cc1nnsc1C(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000341972273 334498732 /nfs/dbraw/zinc/49/87/32/334498732.db2.gz CSEBQWHLFISLEZ-UHFFFAOYSA-N -1 3 306.149 3.545 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1Cc2ccccc21 ZINC000443555197 338454358 /nfs/dbraw/zinc/45/43/58/338454358.db2.gz CPTKWYHCRHBGCO-LBPRGKRZSA-N -1 3 323.270 3.569 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2cc(F)ccc2F)c1F ZINC000535484657 334736260 /nfs/dbraw/zinc/73/62/60/334736260.db2.gz RMKNYVNOUIMQKE-UHFFFAOYSA-N -1 3 313.250 3.894 20 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20 0 DHADHM Cc1ccn2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)nc2c1 ZINC000345152091 335302009 /nfs/dbraw/zinc/30/20/09/335302009.db2.gz XZTNBNJQBYDARB-CYBMUJFWSA-N -1 3 321.380 3.502 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](c3cccs3)C[C@@H]2C)c1[O-] ZINC000371012619 335354268 /nfs/dbraw/zinc/35/42/68/335354268.db2.gz YMVXTVMYKMCSPH-QWHCGFSZSA-N -1 3 301.411 3.780 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(Oc3ccccc3)ccn2)n1 ZINC000345936538 335362349 /nfs/dbraw/zinc/36/23/49/335362349.db2.gz WAEBBBOEBMBQNP-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)sc2Cl)n1 ZINC000345934923 335362362 /nfs/dbraw/zinc/36/23/62/335362362.db2.gz TUSQZTNJYYKIMA-UHFFFAOYSA-N -1 3 303.170 3.716 20 0 DHADHM Cc1cccc(-c2cncc(C(=O)Nc3nc(C)ccc3[O-])c2)c1 ZINC000345945198 335362930 /nfs/dbraw/zinc/36/29/30/335362930.db2.gz SMVBEHSFSXVWEQ-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)ccc1F ZINC000346047670 335370912 /nfs/dbraw/zinc/37/09/12/335370912.db2.gz OKGOAQMKGZIVNK-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1cc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)ccc1F ZINC000346047670 335370914 /nfs/dbraw/zinc/37/09/14/335370914.db2.gz OKGOAQMKGZIVNK-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1cccc(CN(CC(C)C)C(=O)c2ccc3n[n-]nc3c2)c1 ZINC000346047646 335371022 /nfs/dbraw/zinc/37/10/22/335371022.db2.gz OGGUFDVUBYBATN-UHFFFAOYSA-N -1 3 322.412 3.565 20 0 DHADHM CC(C)n1nc2c(c1NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000347020039 335459988 /nfs/dbraw/zinc/45/99/88/335459988.db2.gz IOWHUBAAFXCLDX-UHFFFAOYSA-N -1 3 319.792 3.564 20 0 DHADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1csc(=O)[n-]1 ZINC000348929323 335621932 /nfs/dbraw/zinc/62/19/32/335621932.db2.gz FUNAWZYUPOQLKO-HNNXBMFYSA-N -1 3 324.405 3.563 20 0 DHADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2ncc(F)cc2F)c1 ZINC000349050402 335630532 /nfs/dbraw/zinc/63/05/32/335630532.db2.gz HSWMPWAPILCECM-UHFFFAOYSA-N -1 3 324.714 3.858 20 0 DHADHM CSCc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000349082035 335633382 /nfs/dbraw/zinc/63/33/82/335633382.db2.gz JFNPAWTXRJQYRQ-UHFFFAOYSA-N -1 3 321.829 3.839 20 0 DHADHM CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cc([O-])cc(F)c1 ZINC000349604139 335684112 /nfs/dbraw/zinc/68/41/12/335684112.db2.gz YSYATUNRWGVOSJ-PIGZYNQJSA-N -1 3 307.340 3.536 20 0 DHADHM COc1ccc(C[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000536230130 335833073 /nfs/dbraw/zinc/83/30/73/335833073.db2.gz BDKAFDGCNXVFAZ-NSHDSACASA-N -1 3 319.788 3.872 20 0 DHADHM CC(C)(CCCc1ccccc1)C[N-]S(=O)(=O)c1ccco1 ZINC000445751626 338507279 /nfs/dbraw/zinc/50/72/79/338507279.db2.gz WEEKPUXORKXDNZ-UHFFFAOYSA-N -1 3 321.442 3.607 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000583636105 336009580 /nfs/dbraw/zinc/00/95/80/336009580.db2.gz ITXOTNYWADAEQU-VXGBXAGGSA-N -1 3 316.426 3.881 20 0 DHADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1ncc(F)cc1F ZINC000192225703 336022318 /nfs/dbraw/zinc/02/23/18/336022318.db2.gz GVEBXBLEOWRJCH-UHFFFAOYSA-N -1 3 323.368 3.728 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1F ZINC000468800032 336037173 /nfs/dbraw/zinc/03/71/73/336037173.db2.gz CJCIYPKNQKAZSJ-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000351758847 336065548 /nfs/dbraw/zinc/06/55/48/336065548.db2.gz JXQHPIXCZFKSLZ-MNOVXSKESA-N -1 3 301.402 3.776 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)Cc2c(F)ccc([O-])c2F)C1 ZINC000351758846 336065570 /nfs/dbraw/zinc/06/55/70/336065570.db2.gz JXQHPIXCZFKSLZ-GHMZBOCLSA-N -1 3 301.402 3.776 20 0 DHADHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccccc2[O-])cc1 ZINC000331366145 336133719 /nfs/dbraw/zinc/13/37/19/336133719.db2.gz CXELLOYKGNCVCQ-QAPCUYQASA-N -1 3 311.381 3.807 20 0 DHADHM C[C@@H]1C[C@@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)CCO1 ZINC000331409745 336135166 /nfs/dbraw/zinc/13/51/66/336135166.db2.gz UWIOTKMYOYFARA-RQJHMYQMSA-N -1 3 318.320 3.698 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ccnn2C2CCCC2)c1[O-] ZINC000332035920 336156456 /nfs/dbraw/zinc/15/64/56/336156456.db2.gz YEYMPKLTXCKZJD-UHFFFAOYSA-N -1 3 319.792 3.918 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccc(Cl)c1Cl ZINC000351942454 336184199 /nfs/dbraw/zinc/18/41/99/336184199.db2.gz ADFXHHRMVKZAGA-QMMMGPOBSA-N -1 3 320.197 3.626 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccc(Cl)c1Cl ZINC000351942453 336184264 /nfs/dbraw/zinc/18/42/64/336184264.db2.gz ADFXHHRMVKZAGA-MRVPVSSYSA-N -1 3 320.197 3.626 20 0 DHADHM Cc1nn(Cc2ccccc2)c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352039263 336191218 /nfs/dbraw/zinc/19/12/18/336191218.db2.gz FJZBZMBBWRBNEP-KTKRTIGZSA-N -1 3 320.396 3.523 20 0 DHADHM Cc1ncsc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000352130172 336195818 /nfs/dbraw/zinc/19/58/18/336195818.db2.gz XPHRJOMSWISFTH-UHFFFAOYSA-N -1 3 318.789 3.747 20 0 DHADHM C[C@@H]1CCc2c(sc3[n-]c(-c4ccsn4)nc(=O)c23)C1 ZINC000333150740 336198660 /nfs/dbraw/zinc/19/86/60/336198660.db2.gz KNXDMHLIURVFKI-SSDOTTSWSA-N -1 3 303.412 3.645 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000468827619 336199365 /nfs/dbraw/zinc/19/93/65/336199365.db2.gz FBZCLNFMBUIXHI-GJZGRUSLSA-N -1 3 305.393 3.503 20 0 DHADHM CN(Cc1ccc(F)cc1F)C(=O)c1cc([O-])ccc1Cl ZINC000352303875 336211196 /nfs/dbraw/zinc/21/11/96/336211196.db2.gz FLSKJGSKKWUPKE-UHFFFAOYSA-N -1 3 311.715 3.596 20 0 DHADHM CC(C)Oc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352615965 336227114 /nfs/dbraw/zinc/22/71/14/336227114.db2.gz LCZGYMXQILGHPG-UHFFFAOYSA-N -1 3 319.788 3.763 20 0 DHADHM Cc1c(NCc2c(F)ccc([O-])c2F)cnn1CCC(C)C ZINC000352735329 336232949 /nfs/dbraw/zinc/23/29/49/336232949.db2.gz GWTJMSCQZDTEAU-UHFFFAOYSA-N -1 3 309.360 3.834 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000192723157 336259347 /nfs/dbraw/zinc/25/93/47/336259347.db2.gz GIGAMMNXQXRVSX-ZIAGYGMSSA-N -1 3 311.429 3.781 20 0 DHADHM [O-]c1cccnc1CNCc1cccc(Oc2ccccc2)c1 ZINC000526992013 336278254 /nfs/dbraw/zinc/27/82/54/336278254.db2.gz UTXJOXHVRRZHID-UHFFFAOYSA-N -1 3 306.365 3.869 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C3CCCCC3)nc2)n1 ZINC000301174092 336293325 /nfs/dbraw/zinc/29/33/25/336293325.db2.gz LCCYKRTXXLHVHX-UHFFFAOYSA-N -1 3 312.417 3.576 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H](C)CC)nc2)n1 ZINC000301743344 336327044 /nfs/dbraw/zinc/32/70/44/336327044.db2.gz GAPSYIKRRAQXRI-NWDGAFQWSA-N -1 3 300.406 3.653 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccoc1C(F)(F)F ZINC000352914775 336376770 /nfs/dbraw/zinc/37/67/70/336376770.db2.gz NWIUWAOJKUDPSU-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM CC[C@H](C)C(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000352936815 336378315 /nfs/dbraw/zinc/37/83/15/336378315.db2.gz KISQOXGQINDBAA-VIFPVBQESA-N -1 3 300.383 3.708 20 0 DHADHM Cc1cccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1[O-] ZINC000193123544 336402013 /nfs/dbraw/zinc/40/20/13/336402013.db2.gz INUCWWIIGHHIOF-UHFFFAOYSA-N -1 3 324.355 3.520 20 0 DHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000353165705 336405255 /nfs/dbraw/zinc/40/52/55/336405255.db2.gz UFEROUVASLQPJY-SJKOYZFVSA-N -1 3 320.820 3.615 20 0 DHADHM CCn1ncc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC000353509211 336421435 /nfs/dbraw/zinc/42/14/35/336421435.db2.gz IWCHCISEURXQOD-UHFFFAOYSA-N -1 3 315.760 3.668 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)ccc1[O-] ZINC000353884111 336445942 /nfs/dbraw/zinc/44/59/42/336445942.db2.gz XLAMVLQRGNPNLY-SFHVURJKSA-N -1 3 324.424 3.744 20 0 DHADHM [O-]c1cc(CN2C[C@H](CO)c3ccccc32)cc(C(F)(F)F)c1 ZINC000354043818 336456071 /nfs/dbraw/zinc/45/60/71/336456071.db2.gz BYTWEMQZGGJRNL-GFCCVEGCSA-N -1 3 323.314 3.507 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cscc1Br ZINC000354278946 336465431 /nfs/dbraw/zinc/46/54/31/336465431.db2.gz AIOKEUMQYHBGKB-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM C[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)C[C@@H]1c1ccccc1 ZINC000355061584 336493550 /nfs/dbraw/zinc/49/35/50/336493550.db2.gz VPXXISHIPRXJBE-QAPCUYQASA-N -1 3 315.800 3.969 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(C(F)(F)F)cs2)on1 ZINC000356536209 336553742 /nfs/dbraw/zinc/55/37/42/336553742.db2.gz YLOMULGNZVYIIR-LURJTMIESA-N -1 3 319.308 3.916 20 0 DHADHM CC1CCC(OCC(=O)N2CC[C@H](C)c3cccc([O-])c32)CC1 ZINC000356781322 336560879 /nfs/dbraw/zinc/56/08/79/336560879.db2.gz AIIHXQRMYDWDBH-SLTAFYQDSA-N -1 3 317.429 3.828 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)ccc1[O-] ZINC000357652937 336593518 /nfs/dbraw/zinc/59/35/18/336593518.db2.gz KYMQGZDPUBNKNM-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM CS[C@H](C)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000358893676 336646508 /nfs/dbraw/zinc/64/65/08/336646508.db2.gz SPNGYCWKHWBIKI-MRVPVSSYSA-N -1 3 307.337 3.881 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccc(Cl)cc1)C1CC1 ZINC000193246584 336691751 /nfs/dbraw/zinc/69/17/51/336691751.db2.gz MIBDNOZESPJLII-UHFFFAOYSA-N -1 3 317.772 3.556 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1c(F)c(F)cc(F)c1F ZINC000360331154 336708797 /nfs/dbraw/zinc/70/87/97/336708797.db2.gz YTIYUUJMEQKAQP-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000361970823 336780377 /nfs/dbraw/zinc/78/03/77/336780377.db2.gz AFLIDCLYMNMURL-SUMWQHHRSA-N -1 3 312.413 3.569 20 0 DHADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000376097419 337026900 /nfs/dbraw/zinc/02/69/00/337026900.db2.gz NDOSFDKDMPOEJK-HNNXBMFYSA-N -1 3 316.426 3.915 20 0 DHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC2(C1)CCCCCC2 ZINC000376784296 337041025 /nfs/dbraw/zinc/04/10/25/337041025.db2.gz HXVYAKPSHLNBBU-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)[nH]c1C ZINC000378561002 337075748 /nfs/dbraw/zinc/07/57/48/337075748.db2.gz OGBNXNXTNLAZBD-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM O=C([O-])C1(CNCc2cc(Cl)sc2Cl)CCCC1 ZINC000582715020 337124269 /nfs/dbraw/zinc/12/42/69/337124269.db2.gz WUPYIEANZOGUTM-UHFFFAOYSA-N -1 3 308.230 3.790 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c([O-])c1 ZINC000175465600 337147525 /nfs/dbraw/zinc/14/75/25/337147525.db2.gz LLQNQIQIKFZQPI-IUODEOHRSA-N -1 3 315.369 3.607 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000176982148 337153997 /nfs/dbraw/zinc/15/39/97/337153997.db2.gz NDEWJNNRJGBZCK-HNNXBMFYSA-N -1 3 324.405 3.979 20 0 DHADHM CCSc1nccnc1C(=O)[N-]c1c(C)cccc1SC ZINC000430791236 337157166 /nfs/dbraw/zinc/15/71/66/337157166.db2.gz CTMXWXKHOXMYSQ-UHFFFAOYSA-N -1 3 319.455 3.871 20 0 DHADHM Cc1ccc(-c2ocnc2C(=O)[N-]c2ncccc2Cl)cc1 ZINC000179948806 337172656 /nfs/dbraw/zinc/17/26/56/337172656.db2.gz RXOAFGWEHMIWDI-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM COc1ccc(C)cc1CSCC(=O)Nc1ccccc1[O-] ZINC000180714086 337177378 /nfs/dbraw/zinc/17/73/78/337177378.db2.gz UMGXWIMBBFHAGE-UHFFFAOYSA-N -1 3 317.410 3.581 20 0 DHADHM CCCC[C@@H](C)N(CCCC)C(=O)c1ccc2n[n-]nc2c1 ZINC000582805884 337178191 /nfs/dbraw/zinc/17/81/91/337178191.db2.gz SQCANMKAGBRCOM-CYBMUJFWSA-N -1 3 302.422 3.779 20 0 DHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182473592 337187252 /nfs/dbraw/zinc/18/72/52/337187252.db2.gz AJSWVVXBZHCAAP-ZBEGNZNMSA-N -1 3 319.788 3.552 20 0 DHADHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000183254102 337192571 /nfs/dbraw/zinc/19/25/71/337192571.db2.gz QJZUIBMXSVMQMB-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CCOc1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183274956 337192695 /nfs/dbraw/zinc/19/26/95/337192695.db2.gz SXMIOYVGTPHMES-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM O=[S@](Cc1cccc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000184040689 337194658 /nfs/dbraw/zinc/19/46/58/337194658.db2.gz YGWJGZRVJQIJNW-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM O=[S@](Cc1csc(C2CCCC2)n1)c1cccc([O-])c1 ZINC000184068109 337195889 /nfs/dbraw/zinc/19/58/89/337195889.db2.gz WCELBPITVFOAFL-HXUWFJFHSA-N -1 3 307.440 3.814 20 0 DHADHM Cc1oc([C@H](C)N(C)CCOc2ccccc2C)cc1C(=O)[O-] ZINC000582970774 337224434 /nfs/dbraw/zinc/22/44/34/337224434.db2.gz SDAKEMQHUIRGSQ-ZDUSSCGKSA-N -1 3 317.385 3.666 20 0 DHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1-n1cccn1 ZINC000185575103 337249121 /nfs/dbraw/zinc/24/91/21/337249121.db2.gz RMVKNZYPYHHKHJ-ZDUSSCGKSA-N -1 3 311.360 3.568 20 0 DHADHM CN(Cc1nc2ccccc2s1)Cc1cc([O-])cc(F)c1 ZINC000186165747 337254115 /nfs/dbraw/zinc/25/41/15/337254115.db2.gz SELHMRPXQDHDID-UHFFFAOYSA-N -1 3 302.374 3.773 20 0 DHADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000186238427 337254786 /nfs/dbraw/zinc/25/47/86/337254786.db2.gz GTQFNLNLQRYMQT-KZULUSFZSA-N -1 3 319.351 3.632 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000188422528 337273304 /nfs/dbraw/zinc/27/33/04/337273304.db2.gz ADJOZOIOANGRDD-KRWDZBQOSA-N -1 3 310.397 3.635 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])oc1C ZINC000525953334 337309356 /nfs/dbraw/zinc/30/93/56/337309356.db2.gz HDOQPQHKVNBKFR-UHFFFAOYSA-N -1 3 315.247 3.753 20 0 DHADHM Cc1oc(CN(C)CCc2ccccc2Cl)cc1C(=O)[O-] ZINC000584415999 337322408 /nfs/dbraw/zinc/32/24/08/337322408.db2.gz HNYJHCMKTCSENS-UHFFFAOYSA-N -1 3 307.777 3.614 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221543301 337368092 /nfs/dbraw/zinc/36/80/92/337368092.db2.gz LDMDITMTXFSIMH-VDDIYKPWSA-N -1 3 302.201 3.849 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC000583881587 337376732 /nfs/dbraw/zinc/37/67/32/337376732.db2.gz GJKJQNTUVJKVGL-UHFFFAOYSA-N -1 3 304.371 3.631 20 0 DHADHM Cc1ccc(C(=O)N(C)CCOc2cccc(Cl)c2)c([O-])c1 ZINC000105128540 337393122 /nfs/dbraw/zinc/39/31/22/337393122.db2.gz SJTGDGFOXFLHQI-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM C[C@@]1(c2nc(-c3ccc([O-])c4ccccc34)no2)CC1(F)F ZINC000421262552 337525151 /nfs/dbraw/zinc/52/51/51/337525151.db2.gz GKAOMTAVZDTVAA-HNNXBMFYSA-N -1 3 302.280 3.892 20 0 DHADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000571689832 337569173 /nfs/dbraw/zinc/56/91/73/337569173.db2.gz TVWJXSNJOIIORK-NSHDSACASA-N -1 3 321.389 3.651 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(CCc3ccccc3)CC2)nc1 ZINC000571769084 337575679 /nfs/dbraw/zinc/57/56/79/337575679.db2.gz SZMQTBXHYNSQKD-UHFFFAOYSA-N -1 3 324.424 3.625 20 0 DHADHM CC(C)C[C@@H](CNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263452470 337629706 /nfs/dbraw/zinc/62/97/06/337629706.db2.gz BBEMRMHUYBRSLC-NSHDSACASA-N -1 3 304.217 3.830 20 0 DHADHM C[C@H]1CCN(C(=O)c2cccc3c2CCCN3)c2c([O-])cccc21 ZINC000423888465 337729100 /nfs/dbraw/zinc/72/91/00/337729100.db2.gz IHEAONZUIHEAPY-ZDUSSCGKSA-N -1 3 322.408 3.904 20 0 DHADHM CSCc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000105653859 337810481 /nfs/dbraw/zinc/81/04/81/337810481.db2.gz NDOITMXXDFXIMC-UHFFFAOYSA-N -1 3 302.424 3.823 20 0 DHADHM CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000533178820 337833409 /nfs/dbraw/zinc/83/34/09/337833409.db2.gz HDRWRIRMJNCVLV-UHFFFAOYSA-N -1 3 315.847 3.776 20 0 DHADHM COc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1[O-] ZINC000121284587 337890318 /nfs/dbraw/zinc/89/03/18/337890318.db2.gz ZZPDSXZLNWTHTQ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM O=C([N-]c1c(F)cc(F)cc1F)c1ncccc1C(F)(F)F ZINC000092439449 337904318 /nfs/dbraw/zinc/90/43/18/337904318.db2.gz PCRRZQCUWGWQGM-UHFFFAOYSA-N -1 3 320.192 3.770 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000424613405 337917720 /nfs/dbraw/zinc/91/77/20/337917720.db2.gz BERNIELAINSCPN-GWCFXTLKSA-N -1 3 324.471 3.707 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000424614084 337918735 /nfs/dbraw/zinc/91/87/35/337918735.db2.gz BWWGVGGIQXZKOK-DYVFJYSZSA-N -1 3 317.385 3.907 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000424623750 337925870 /nfs/dbraw/zinc/92/58/70/337925870.db2.gz QAFWARZQZDWDJF-TVQRCGJNSA-N -1 3 321.314 3.679 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1[O-] ZINC000537647015 337952848 /nfs/dbraw/zinc/95/28/48/337952848.db2.gz GGXYOHJRQBYGHW-AWEZNQCLSA-N -1 3 301.411 3.993 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(F)cc1F ZINC000084649881 338003704 /nfs/dbraw/zinc/00/37/04/338003704.db2.gz VVKHAGIBUNFYSP-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H]1[C@H](c2nc(-c3ccc4n[n-]nc4c3)no2)[C@H]1c1ccccc1 ZINC000516369483 338012040 /nfs/dbraw/zinc/01/20/40/338012040.db2.gz UFVWAMPMCOZVCZ-GTTSAUCSSA-N -1 3 317.352 3.525 20 0 DHADHM O=C([O-])CC1(CNCc2c(Cl)oc3ccccc32)CCC1 ZINC000426647539 338036918 /nfs/dbraw/zinc/03/69/18/338036918.db2.gz PRHHEYIJSNUSQO-UHFFFAOYSA-N -1 3 307.777 3.821 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc2ncccc2c1)c1ccsc1 ZINC000426684101 338038095 /nfs/dbraw/zinc/03/80/95/338038095.db2.gz XGIKJDLGMGSFML-INIZCTEOSA-N -1 3 312.394 3.602 20 0 DHADHM Cc1cc(CNCc2ccccc2CC(=O)[O-])ccc1Cl ZINC000426707487 338038759 /nfs/dbraw/zinc/03/87/59/338038759.db2.gz ABQMCFVLZOZIGA-UHFFFAOYSA-N -1 3 303.789 3.565 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000426715681 338039037 /nfs/dbraw/zinc/03/90/37/338039037.db2.gz JSRDEEJCPZJIBH-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000426735799 338039934 /nfs/dbraw/zinc/03/99/34/338039934.db2.gz VMHVZMCKINGHCD-SWLSCSKDSA-N -1 3 322.455 3.605 20 0 DHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426749158 338040495 /nfs/dbraw/zinc/04/04/95/338040495.db2.gz DEBTUWZWLJVCSS-SFHVURJKSA-N -1 3 313.397 3.618 20 0 DHADHM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426754479 338040938 /nfs/dbraw/zinc/04/09/38/338040938.db2.gz QOFRIYJJTFTGMD-INIZCTEOSA-N -1 3 321.779 3.957 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000426758131 338041004 /nfs/dbraw/zinc/04/10/04/338041004.db2.gz GYGUZRVUQPHTPI-LRDDRELGSA-N -1 3 303.789 3.892 20 0 DHADHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000428635973 338057304 /nfs/dbraw/zinc/05/73/04/338057304.db2.gz YDALJEZFTMBSRQ-MRXNPFEDSA-N -1 3 319.788 3.505 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cccc(C(F)(F)F)c1F ZINC000429832761 338090854 /nfs/dbraw/zinc/09/08/54/338090854.db2.gz VEUUUKDMVVTNLC-UHFFFAOYSA-N -1 3 302.227 3.702 20 0 DHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000430269575 338103824 /nfs/dbraw/zinc/10/38/24/338103824.db2.gz PCNDJULREYHSMN-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM O=C(NCCSc1ccccc1)c1cc([O-])ccc1Cl ZINC000431616739 338134764 /nfs/dbraw/zinc/13/47/64/338134764.db2.gz IWAPOOSMNFMARW-UHFFFAOYSA-N -1 3 307.802 3.568 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1F ZINC000431776036 338138508 /nfs/dbraw/zinc/13/85/08/338138508.db2.gz MAAAKFWAGQHAIQ-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000431792214 338138946 /nfs/dbraw/zinc/13/89/46/338138946.db2.gz BSTCMVZZRFUGCJ-LBPRGKRZSA-N -1 3 313.850 3.793 20 0 DHADHM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])CC2 ZINC000431908403 338141565 /nfs/dbraw/zinc/14/15/65/338141565.db2.gz BEGRBDAMAMUSHW-CYBMUJFWSA-N -1 3 317.772 3.723 20 0 DHADHM COC(=O)c1cnc(SC/C=C\c2ccc(Cl)cc2)[n-]1 ZINC000432672778 338162129 /nfs/dbraw/zinc/16/21/29/338162129.db2.gz ZMUNXVPYWYXVCC-IHWYPQMZSA-N -1 3 308.790 3.655 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c(C)o1 ZINC000433178525 338184219 /nfs/dbraw/zinc/18/42/19/338184219.db2.gz WPANRCNDDYRALT-UHFFFAOYSA-N -1 3 317.769 3.798 20 0 DHADHM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000433372616 338193959 /nfs/dbraw/zinc/19/39/59/338193959.db2.gz PDGNCHVRRSICLK-SNVBAGLBSA-N -1 3 305.761 3.584 20 0 DHADHM O=C([O-])CCN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000433499023 338195858 /nfs/dbraw/zinc/19/58/58/338195858.db2.gz QQBBZKLFAVJLFX-CYBMUJFWSA-N -1 3 301.308 3.707 20 0 DHADHM Cc1cc(C)cc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000434343825 338214947 /nfs/dbraw/zinc/21/49/47/338214947.db2.gz XMZVMHUOVDZGLB-UHFFFAOYSA-N -1 3 317.816 3.864 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(F)cc(F)c2)c1 ZINC000434346740 338214991 /nfs/dbraw/zinc/21/49/91/338214991.db2.gz NQTVNSZGDAQSIV-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc3nccn32)CC)n1 ZINC000435337893 338237387 /nfs/dbraw/zinc/23/73/87/338237387.db2.gz ZJUSFDQYHOCVHU-QBFSEMIESA-N -1 3 308.385 3.733 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000154576383 338246197 /nfs/dbraw/zinc/24/61/97/338246197.db2.gz HFZLITBMTCOEJK-GXTWGEPZSA-N -1 3 307.821 3.673 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000435729878 338246473 /nfs/dbraw/zinc/24/64/73/338246473.db2.gz FGUPSXWZQIHQEK-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM Cn1c(=O)[n-]nc1SCc1ccc(-c2ccsc2)cc1 ZINC000435785420 338249082 /nfs/dbraw/zinc/24/90/82/338249082.db2.gz OICGPEQZFFVEHU-UHFFFAOYSA-N -1 3 303.412 3.542 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000436037784 338256444 /nfs/dbraw/zinc/25/64/44/338256444.db2.gz ACEHSABTZIPNLO-DOTOQJQBSA-N -1 3 313.372 3.526 20 0 DHADHM CC[C@@H]1CCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000436370032 338269791 /nfs/dbraw/zinc/26/97/91/338269791.db2.gz VMUSAGASTAAWNL-QGZVFWFLSA-N -1 3 323.392 3.638 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nnc(C(F)F)s2)c(F)c1Cl ZINC000436443442 338272565 /nfs/dbraw/zinc/27/25/65/338272565.db2.gz VEPRUAXERLLYCA-UHFFFAOYSA-N -1 3 321.711 3.829 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)cc1 ZINC000436474849 338273557 /nfs/dbraw/zinc/27/35/57/338273557.db2.gz DYSLUBXPHOSYIX-UHFFFAOYSA-N -1 3 317.410 3.838 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2F)C(C)C)c1 ZINC000436531893 338275527 /nfs/dbraw/zinc/27/55/27/338275527.db2.gz IFUJGNCLQQSCBK-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](CC)c2ccncc2)c1 ZINC000436532181 338275542 /nfs/dbraw/zinc/27/55/42/338275542.db2.gz VPXRQOWOJCRMFL-KRWDZBQOSA-N -1 3 312.413 3.963 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c([O-])c1C ZINC000436534612 338275774 /nfs/dbraw/zinc/27/57/74/338275774.db2.gz LROHQQMKCAUFNX-YOEHRIQHSA-N -1 3 319.445 3.580 20 0 DHADHM Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000436539772 338276173 /nfs/dbraw/zinc/27/61/73/338276173.db2.gz MQFZKVNXVCNPSA-SFHVURJKSA-N -1 3 307.393 3.993 20 0 DHADHM CCCOc1ccc(C(=O)Nc2ccc(C)cc2[O-])c(OC)c1 ZINC000448574553 338276209 /nfs/dbraw/zinc/27/62/09/338276209.db2.gz QPCYTQPMHDRJBY-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM [O-]c1ccccc1-c1nc(COc2ccc(Cl)c(F)c2)no1 ZINC000436560523 338277027 /nfs/dbraw/zinc/27/70/27/338277027.db2.gz DJVDVKILVXSLIN-UHFFFAOYSA-N -1 3 320.707 3.814 20 0 DHADHM Cc1csc([C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436561209 338277068 /nfs/dbraw/zinc/27/70/68/338277068.db2.gz FBHJJXSKSBBHBX-NSHDSACASA-N -1 3 316.426 3.527 20 0 DHADHM CCC(CC)(C(=O)OC)c1csc(-c2ccccc2[O-])n1 ZINC000436561851 338277076 /nfs/dbraw/zinc/27/70/76/338277076.db2.gz CYOZEPJOKKQXQH-UHFFFAOYSA-N -1 3 305.399 3.747 20 0 DHADHM Cc1csc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436565934 338277264 /nfs/dbraw/zinc/27/72/64/338277264.db2.gz SHRYEGRIEDYORE-LLVKDONJSA-N -1 3 304.415 3.772 20 0 DHADHM CC[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccncc1 ZINC000436565736 338277365 /nfs/dbraw/zinc/27/73/65/338277365.db2.gz VQRNNCGCKGRLHE-QGZVFWFLSA-N -1 3 310.397 3.547 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(Cl)cc4c3OCC4)n2)cc1 ZINC000436567044 338277408 /nfs/dbraw/zinc/27/74/08/338277408.db2.gz ROOOYRJIMHKQAC-UHFFFAOYSA-N -1 3 314.728 3.698 20 0 DHADHM CC[C@@]1(C)CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436571312 338277648 /nfs/dbraw/zinc/27/76/48/338277648.db2.gz CMQSGZGRQBONSE-IBGZPJMESA-N -1 3 317.429 3.758 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436574687 338277791 /nfs/dbraw/zinc/27/77/91/338277791.db2.gz LKQQGIBPRBLBCV-CYBMUJFWSA-N -1 3 321.486 3.875 20 0 DHADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c([O-])c1C ZINC000436578791 338278165 /nfs/dbraw/zinc/27/81/65/338278165.db2.gz XOOFRWHUDGRZFY-QGZVFWFLSA-N -1 3 312.413 3.715 20 0 DHADHM COC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccc(C)o1 ZINC000436579021 338278274 /nfs/dbraw/zinc/27/82/74/338278274.db2.gz XZKRMXXBTPTTLN-OAHLLOKOSA-N -1 3 317.385 3.535 20 0 DHADHM Cc1cccc(C(=O)N2CCC(C)(c3ccccc3)CC2)c1[O-] ZINC000436583944 338278315 /nfs/dbraw/zinc/27/83/15/338278315.db2.gz ICGTVMZAACOFJG-UHFFFAOYSA-N -1 3 309.409 3.895 20 0 DHADHM COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1[O-] ZINC000436586061 338278542 /nfs/dbraw/zinc/27/85/42/338278542.db2.gz UTGISFMQYBNSSR-KRWDZBQOSA-N -1 3 311.381 3.590 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000436588619 338278777 /nfs/dbraw/zinc/27/87/77/338278777.db2.gz NKQGUYDFWLKTIY-OAQYLSRUSA-N -1 3 321.420 3.903 20 0 DHADHM Cc1nnc(-c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)o1 ZINC000436592537 338278893 /nfs/dbraw/zinc/27/88/93/338278893.db2.gz WGXULDNASXYMCD-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000436591666 338278996 /nfs/dbraw/zinc/27/89/96/338278996.db2.gz XRZLHQAEEDBHFU-RYUDHWBXSA-N -1 3 315.335 3.799 20 0 DHADHM CCCOc1ccc(CNC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436593630 338279188 /nfs/dbraw/zinc/27/91/88/338279188.db2.gz FQYMYDGRWSUBHM-UHFFFAOYSA-N -1 3 313.397 3.673 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)c([O-])c1 ZINC000436601803 338279463 /nfs/dbraw/zinc/27/94/63/338279463.db2.gz KRLZBIDGQBZOOW-QGZVFWFLSA-N -1 3 312.413 3.567 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cncc(F)c3)n2)c2ccccc12 ZINC000436619214 338280307 /nfs/dbraw/zinc/28/03/07/338280307.db2.gz QINZQDJGCGRQSY-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1 ZINC000436627549 338280635 /nfs/dbraw/zinc/28/06/35/338280635.db2.gz WSJHHCBSGHFOGP-UHFFFAOYSA-N -1 3 301.361 3.927 20 0 DHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1c([O-])cccc1O ZINC000436650059 338281453 /nfs/dbraw/zinc/28/14/53/338281453.db2.gz YJGBQCIJVYZIJY-UHFFFAOYSA-N -1 3 321.376 3.913 20 0 DHADHM Cc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)c([O-])c1C ZINC000436653882 338281710 /nfs/dbraw/zinc/28/17/10/338281710.db2.gz GQPQAXCRJKCRSA-UHFFFAOYSA-N -1 3 320.392 3.620 20 0 DHADHM COc1ccc(C(=O)NCCc2ccc3ccccc3c2)c([O-])c1 ZINC000436656443 338281825 /nfs/dbraw/zinc/28/18/25/338281825.db2.gz GFZNTQHYDFOYJC-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(O)cc1[O-] ZINC000436663275 338282029 /nfs/dbraw/zinc/28/20/29/338282029.db2.gz GKRKGZZYPPXVQH-QGZVFWFLSA-N -1 3 315.344 3.508 20 0 DHADHM CCOc1ccc(CN(C)C(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436672435 338282263 /nfs/dbraw/zinc/28/22/63/338282263.db2.gz YTOHQYFPIARPHY-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM COc1cccc(C(=O)Nc2cccc(-c3ncco3)c2C)c1[O-] ZINC000436674033 338282302 /nfs/dbraw/zinc/28/23/02/338282302.db2.gz GPPBFQDPKMWRAY-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM COc1cccc(C(=O)Nc2cc(SC)ccc2C)c1[O-] ZINC000436688071 338283071 /nfs/dbraw/zinc/28/30/71/338283071.db2.gz KJJICCKDFGILSL-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1[O-] ZINC000436714732 338283794 /nfs/dbraw/zinc/28/37/94/338283794.db2.gz GTULKOLJQVMTKI-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c([O-])c1C ZINC000436755314 338285498 /nfs/dbraw/zinc/28/54/98/338285498.db2.gz KPSOULZZWFNHAA-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)c([O-])c1C ZINC000436759779 338285930 /nfs/dbraw/zinc/28/59/30/338285930.db2.gz GHJHEELNPOWGBT-CYBMUJFWSA-N -1 3 301.361 3.981 20 0 DHADHM CCn1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000436759927 338286079 /nfs/dbraw/zinc/28/60/79/338286079.db2.gz IOAKKAQKQOKIQB-UHFFFAOYSA-N -1 3 323.352 3.653 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)c([O-])c1C ZINC000436762366 338286117 /nfs/dbraw/zinc/28/61/17/338286117.db2.gz RHCRCELAUKDZQQ-LLVKDONJSA-N -1 3 305.324 3.778 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cnc(-c4ccccn4)s3)n2)cc1 ZINC000436768502 338286499 /nfs/dbraw/zinc/28/64/99/338286499.db2.gz KUZAPKSBBLMTKT-UHFFFAOYSA-N -1 3 322.349 3.628 20 0 DHADHM CC(C)(C)c1nc(-c2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000436770014 338286547 /nfs/dbraw/zinc/28/65/47/338286547.db2.gz KYJWSENDXYFZOW-UHFFFAOYSA-N -1 3 301.371 3.863 20 0 DHADHM COc1cccc([C@H]2C[C@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768856 338286567 /nfs/dbraw/zinc/28/65/67/338286567.db2.gz KVDNOLWOUAJCKI-HZPDHXFCSA-N -1 3 308.337 3.722 20 0 DHADHM CC(C)Oc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436767725 338286629 /nfs/dbraw/zinc/28/66/29/338286629.db2.gz HJMROWPJWGTQCP-UHFFFAOYSA-N -1 3 310.353 3.820 20 0 DHADHM Cc1cc(Cl)ccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436768323 338286636 /nfs/dbraw/zinc/28/66/36/338286636.db2.gz JJAAQHKHNOHZMK-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM COc1ccc(C[C@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436778315 338286938 /nfs/dbraw/zinc/28/69/38/338286938.db2.gz QPISHZKYBMJTRK-LBPRGKRZSA-N -1 3 310.353 3.797 20 0 DHADHM COc1cc(-c2noc(-c3csc(C)c3C)n2)ccc1[O-] ZINC000436780439 338287143 /nfs/dbraw/zinc/28/71/43/338287143.db2.gz OLPWUIDBAQRKNR-UHFFFAOYSA-N -1 3 302.355 3.796 20 0 DHADHM CCc1c(NC(=O)c2cccc(C)c2[O-])cnn1-c1ccccc1 ZINC000436791414 338287394 /nfs/dbraw/zinc/28/73/94/338287394.db2.gz KEKGRLGDCRBRMK-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM COc1cc(-c2noc(-c3ccc(F)cc3Cl)n2)ccc1[O-] ZINC000436792217 338287608 /nfs/dbraw/zinc/28/76/08/338287608.db2.gz VXCDZEHOKBFFGG-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c([O-])c1 ZINC000436803236 338287961 /nfs/dbraw/zinc/28/79/61/338287961.db2.gz JCUPUUCABIQIOX-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c([O-])c1C ZINC000436807112 338288204 /nfs/dbraw/zinc/28/82/04/338288204.db2.gz HSMGHZIJDGYZEY-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM Cc1ccc2snc(C(=O)Nc3ccc([O-])cc3F)c2c1 ZINC000436819840 338288496 /nfs/dbraw/zinc/28/84/96/338288496.db2.gz ZKYPISSQLHEUBN-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c1 ZINC000436834879 338289266 /nfs/dbraw/zinc/28/92/66/338289266.db2.gz RTSUNFSMFMSHNZ-KRWDZBQOSA-N -1 3 309.409 3.947 20 0 DHADHM CC[C@]1(O)CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000436838035 338289435 /nfs/dbraw/zinc/28/94/35/338289435.db2.gz LWUDXORLPDJKJO-IBGZPJMESA-N -1 3 319.445 3.626 20 0 DHADHM CCN(CC)Cc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000436840451 338289458 /nfs/dbraw/zinc/28/94/58/338289458.db2.gz RAZNQXGFCXMUJJ-UHFFFAOYSA-N -1 3 316.376 3.625 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c([O-])c1 ZINC000436840193 338289568 /nfs/dbraw/zinc/28/95/68/338289568.db2.gz OILRSKZLDVMTLP-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436844578 338289624 /nfs/dbraw/zinc/28/96/24/338289624.db2.gz GPVJCYXMCSBKKW-KRWDZBQOSA-N -1 3 313.397 3.933 20 0 DHADHM CCc1ccc(-c2nc(Cc3cccc(OC)c3)no2)c([O-])c1 ZINC000436845611 338289626 /nfs/dbraw/zinc/28/96/26/338289626.db2.gz KNRVFDRASQRJGO-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)c(C)c1 ZINC000436851800 338289852 /nfs/dbraw/zinc/28/98/52/338289852.db2.gz MVANSBLNDXOBKP-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4nccnc4c3)no2)c([O-])c1 ZINC000436861668 338290422 /nfs/dbraw/zinc/29/04/22/338290422.db2.gz FFDBGXJAJCVKGC-UHFFFAOYSA-N -1 3 318.336 3.615 20 0 DHADHM Cn1cc(-c2nc(-c3ccc([O-])cc3)no2)c2cc(F)ccc21 ZINC000436867483 338290698 /nfs/dbraw/zinc/29/06/98/338290698.db2.gz BXFGJXFLLUUMLL-UHFFFAOYSA-N -1 3 309.300 3.740 20 0 DHADHM COc1cccc(C2(c3noc(-c4cccc(C)c4[O-])n3)CC2)c1 ZINC000436884794 338291694 /nfs/dbraw/zinc/29/16/94/338291694.db2.gz HTBBHGZVDLEQKV-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3cc(C)ccc3C)no2)c1[O-] ZINC000436890882 338292244 /nfs/dbraw/zinc/29/22/44/338292244.db2.gz DJQNDCNBUGLGTB-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM COc1cc(Cc2noc(-c3cc(C)ccc3[O-])n2)ccc1C ZINC000436895425 338292296 /nfs/dbraw/zinc/29/22/96/338292296.db2.gz JANMLGDKHBQTQA-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3cc(F)cc(F)c3)no2)c1 ZINC000436896188 338292557 /nfs/dbraw/zinc/29/25/57/338292557.db2.gz XLUJRVZOBWYBGB-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)ccc1[O-] ZINC000436901853 338292635 /nfs/dbraw/zinc/29/26/35/338292635.db2.gz OEXZYDIDWBHZDI-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cc(Oc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)n[nH]1 ZINC000436902171 338292687 /nfs/dbraw/zinc/29/26/87/338292687.db2.gz JDHHNJSLUFJHJT-UHFFFAOYSA-N -1 3 323.352 3.777 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)ccc1F ZINC000436901303 338292707 /nfs/dbraw/zinc/29/27/07/338292707.db2.gz GTTWDFUMTCGPAW-UHFFFAOYSA-N -1 3 314.316 3.874 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)ccc1[O-] ZINC000436902863 338292895 /nfs/dbraw/zinc/29/28/95/338292895.db2.gz RJQQTPBGZBQPEN-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM CCOCc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cc1 ZINC000436906008 338292964 /nfs/dbraw/zinc/29/29/64/338292964.db2.gz ABQJCYIBTXPRBO-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM [O-]c1ccc(/C=C\c2ncc(Br)s2)cc1F ZINC000436920881 338293420 /nfs/dbraw/zinc/29/34/20/338293420.db2.gz RCMVSMZNFJNYNX-RQOWECAXSA-N -1 3 300.152 3.921 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1[O-] ZINC000436922762 338293722 /nfs/dbraw/zinc/29/37/22/338293722.db2.gz PTEYFGOFCFNCCR-CQSZACIVSA-N -1 3 313.397 3.851 20 0 DHADHM Cc1cc(C(=O)NC[C@H](C)Oc2ccccc2Cl)ccc1[O-] ZINC000436930349 338294016 /nfs/dbraw/zinc/29/40/16/338294016.db2.gz XCOUCIPNIBSKQE-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM COCCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)c1ccccc1 ZINC000436929094 338294020 /nfs/dbraw/zinc/29/40/20/338294020.db2.gz UNBPYKNPVOPUKE-OAHLLOKOSA-N -1 3 313.397 3.550 20 0 DHADHM COc1cccc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c1[O-] ZINC000436932549 338294154 /nfs/dbraw/zinc/29/41/54/338294154.db2.gz OCHYDSZYTIMNDV-LBPRGKRZSA-N -1 3 310.353 3.911 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4C)no2)c([O-])c1C ZINC000436932630 338294196 /nfs/dbraw/zinc/29/41/96/338294196.db2.gz PSTGSTABQNSEJD-UHFFFAOYSA-N -1 3 320.352 3.613 20 0 DHADHM Cc1cccc(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1[O-] ZINC000436935203 338294368 /nfs/dbraw/zinc/29/43/68/338294368.db2.gz VTOFLHFKIZMDJY-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)cc2OC(C)C)ccc1[O-] ZINC000436940182 338294793 /nfs/dbraw/zinc/29/47/93/338294793.db2.gz UQXLKIDPVYQVJM-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM CCOc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1OC ZINC000436945271 338295215 /nfs/dbraw/zinc/29/52/15/338295215.db2.gz OXSMGILRBVOVGE-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM [O-]c1c(-c2nc(CCc3ccco3)no2)ccc2c1CCCC2 ZINC000436949213 338295279 /nfs/dbraw/zinc/29/52/79/338295279.db2.gz YMCJOTHRCLGKMI-UHFFFAOYSA-N -1 3 310.353 3.699 20 0 DHADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1[O-] ZINC000436947725 338295353 /nfs/dbraw/zinc/29/53/53/338295353.db2.gz RXTXCTQESYCGMK-BXUZGUMPSA-N -1 3 319.763 3.779 20 0 DHADHM COc1cccc(-c2nc(CCCc3ccsc3)no2)c1[O-] ZINC000436949448 338295375 /nfs/dbraw/zinc/29/53/75/338295375.db2.gz MBNHSNPHFJGALJ-UHFFFAOYSA-N -1 3 316.382 3.688 20 0 DHADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1nccs1 ZINC000436969688 338296305 /nfs/dbraw/zinc/29/63/05/338296305.db2.gz JQJUTKAGPKYOJA-CQSZACIVSA-N -1 3 316.426 3.609 20 0 DHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc2c(c1[O-])CCCC2 ZINC000436975908 338296374 /nfs/dbraw/zinc/29/63/74/338296374.db2.gz NXTJNEWSASTTBH-LBPRGKRZSA-N -1 3 309.356 3.579 20 0 DHADHM COc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c([O-])c1 ZINC000436977685 338296511 /nfs/dbraw/zinc/29/65/11/338296511.db2.gz GGJADBVTYHVSFS-SFHVURJKSA-N -1 3 323.392 3.768 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCC[C@@H](C)C2)c([O-])c1 ZINC000436980011 338296596 /nfs/dbraw/zinc/29/65/96/338296596.db2.gz LXXQBLBWJLWLQW-CQSZACIVSA-N -1 3 305.418 3.833 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C(C)C)C2)c([O-])c1 ZINC000436991737 338297054 /nfs/dbraw/zinc/29/70/54/338297054.db2.gz ZCRIDPIFEFNPCG-AWEZNQCLSA-N -1 3 305.418 3.689 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000436994885 338297234 /nfs/dbraw/zinc/29/72/34/338297234.db2.gz OKLFEXREQRZJJK-JTQLQIEISA-N -1 3 319.323 3.642 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccccc2)CCCC1 ZINC000156223027 338347496 /nfs/dbraw/zinc/34/74/96/338347496.db2.gz BEXIHQQAZTVTAY-UHFFFAOYSA-N -1 3 313.372 3.660 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1 ZINC000439054055 338359694 /nfs/dbraw/zinc/35/96/94/338359694.db2.gz GORCBBDFAGUSLV-UONOGXRCSA-N -1 3 308.337 3.722 20 0 DHADHM CCOCc1nc(C)c(C(=O)[N-]c2ccccc2SC)s1 ZINC000448631337 338382291 /nfs/dbraw/zinc/38/22/91/338382291.db2.gz VSRZOKUXPKNHMY-UHFFFAOYSA-N -1 3 322.455 3.962 20 0 DHADHM CCN(Cc1c(F)cccc1F)C(=O)c1cc(C)ccc1[O-] ZINC000156920520 338391257 /nfs/dbraw/zinc/39/12/57/338391257.db2.gz YZFLSTZKAMATPG-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM C[C@@H](CS(=O)(=O)[N-]c1ccc2ccoc2c1)c1ccccc1 ZINC000442824785 338433628 /nfs/dbraw/zinc/43/36/28/338433628.db2.gz GMSJHFNARJAYMO-ZDUSSCGKSA-N -1 3 315.394 3.978 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2C)c([O-])c1 ZINC000447064812 338543984 /nfs/dbraw/zinc/54/39/84/338543984.db2.gz BCJDWNDXRBXMHX-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM CCc1ccc(C[N-]S(=O)(=O)c2sccc2Cl)s1 ZINC000451057371 338719963 /nfs/dbraw/zinc/71/99/63/338719963.db2.gz QIYXKEJKCLILBB-UHFFFAOYSA-N -1 3 321.876 3.504 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000452756551 338778040 /nfs/dbraw/zinc/77/80/40/338778040.db2.gz PDISEWATXCDFEH-VWYCJHECSA-N -1 3 324.218 3.838 20 0 DHADHM CCC[C@@H](OC)c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000453193511 338805603 /nfs/dbraw/zinc/80/56/03/338805603.db2.gz FLCCBSXPFQRURB-CQSZACIVSA-N -1 3 308.353 3.577 20 0 DHADHM CO[C@@H](Cc1ccccc1)c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000453213373 338808758 /nfs/dbraw/zinc/80/87/58/338808758.db2.gz DBOLJBOFWKZAHL-INIZCTEOSA-N -1 3 324.380 3.989 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456323244 338926158 /nfs/dbraw/zinc/92/61/58/338926158.db2.gz ZZDFJIDJYPOIPB-MSOLQXFVSA-N -1 3 311.425 3.532 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000456566864 338934425 /nfs/dbraw/zinc/93/44/25/338934425.db2.gz LAYUMLRROKNGSZ-KRWDZBQOSA-N -1 3 311.381 3.915 20 0 DHADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000458134402 338989539 /nfs/dbraw/zinc/98/95/39/338989539.db2.gz POFJNKZJAVQBDI-JSGCOSHPSA-N -1 3 301.308 3.575 20 0 DHADHM CCC1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000460188974 339015136 /nfs/dbraw/zinc/01/51/36/339015136.db2.gz KEDXOGWFUPOHMW-UHFFFAOYSA-N -1 3 308.397 3.691 20 0 DHADHM CCOc1cc(CN(CC)CC(F)(F)F)cc(Cl)c1[O-] ZINC000459319642 339021451 /nfs/dbraw/zinc/02/14/51/339021451.db2.gz DDRDJCCWCKUPKI-UHFFFAOYSA-N -1 3 311.731 3.829 20 0 DHADHM CCOc1cc(CN2CCS[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000459335772 339022645 /nfs/dbraw/zinc/02/26/45/339022645.db2.gz CGKGQFWAEBMNIB-QWRGUYRKSA-N -1 3 315.866 3.770 20 0 DHADHM Cc1ccccc1[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459392467 339026658 /nfs/dbraw/zinc/02/66/58/339026658.db2.gz UISCDPUFOFYKDV-GOSISDBHSA-N -1 3 309.413 3.609 20 0 DHADHM CC[C@@H]1C[C@@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC000459443634 339029557 /nfs/dbraw/zinc/02/95/57/339029557.db2.gz DXJILTOSIXQAGG-QRWLVFNGSA-N -1 3 323.440 3.783 20 0 DHADHM C[C@@H]1[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1(F)F ZINC000461457410 339064140 /nfs/dbraw/zinc/06/41/40/339064140.db2.gz QOQNYQNPAMNIOO-BDJLRTHQSA-N -1 3 317.335 3.823 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000462300183 339075407 /nfs/dbraw/zinc/07/54/07/339075407.db2.gz RXVVXLUHRZYKLY-SNVBAGLBSA-N -1 3 319.829 3.726 20 0 DHADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000462706668 339084158 /nfs/dbraw/zinc/08/41/58/339084158.db2.gz TXAWMHVWXVEAHW-QWRGUYRKSA-N -1 3 323.380 3.808 20 0 DHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462715222 339084648 /nfs/dbraw/zinc/08/46/48/339084648.db2.gz LPCBIEDPEBZSLR-VHSXEESVSA-N -1 3 307.818 3.582 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(-c3ncsc3Cl)no2)c1 ZINC000463184234 339108381 /nfs/dbraw/zinc/10/83/81/339108381.db2.gz RDRBDHVUKPBEAB-SNAWJCMRSA-N -1 3 305.746 3.723 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCC[C@@H]3CC)nc2)n1 ZINC000465053250 339166934 /nfs/dbraw/zinc/16/69/34/339166934.db2.gz JZTPNQSMTTZASI-WFASDCNBSA-N -1 3 312.417 3.797 20 0 DHADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)[C@H]1CCc2ccccc21 ZINC000468269858 339258186 /nfs/dbraw/zinc/25/81/86/339258186.db2.gz INLDADHWKIAAKC-KRWDZBQOSA-N -1 3 311.429 3.644 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1cc(Cl)ccc1F ZINC000468482296 339263903 /nfs/dbraw/zinc/26/39/03/339263903.db2.gz BGPDNJMCIYMIBM-UHFFFAOYSA-N -1 3 315.801 3.869 20 0 DHADHM Oc1[n-]c(SC/C=C\c2ccc(Cl)cc2)nc2nncc1-2 ZINC000468505799 339264728 /nfs/dbraw/zinc/26/47/28/339264728.db2.gz HCQYUGZEYDPRGL-UPHRSURJSA-N -1 3 318.789 3.517 20 0 DHADHM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000468516826 339265219 /nfs/dbraw/zinc/26/52/19/339265219.db2.gz JWTFLOWXQWSQHR-UHFFFAOYSA-N -1 3 305.399 3.619 20 0 DHADHM C[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H]1C ZINC000468576264 339266679 /nfs/dbraw/zinc/26/66/79/339266679.db2.gz IWNZGPLXPQQERZ-IOASZLSFSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C ZINC000468576263 339266751 /nfs/dbraw/zinc/26/67/51/339266751.db2.gz IWNZGPLXPQQERZ-DVOMOZLQSA-N -1 3 307.409 3.795 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC/C=C/c1ccccc1 ZINC000468819891 339271790 /nfs/dbraw/zinc/27/17/90/339271790.db2.gz CCNADNTXZTVKGT-WEVVVXLNSA-N -1 3 313.372 3.684 20 0 DHADHM CC(C)CCO[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000468946132 339275578 /nfs/dbraw/zinc/27/55/78/339275578.db2.gz JGTFZDWBBJCWSN-KGLIPLIRSA-N -1 3 305.418 3.684 20 0 DHADHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1O ZINC000469075682 339279402 /nfs/dbraw/zinc/27/94/02/339279402.db2.gz SIWDPRUYIMWCBL-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM CC[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469372744 339287171 /nfs/dbraw/zinc/28/71/71/339287171.db2.gz FJEGYANMFXHKHD-HIFRSBDPSA-N -1 3 307.409 3.939 20 0 DHADHM COc1ccc(F)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469804890 339301309 /nfs/dbraw/zinc/30/13/09/339301309.db2.gz UIKFDIJYDQECCM-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCCC[C@H]21 ZINC000469815159 339301864 /nfs/dbraw/zinc/30/18/64/339301864.db2.gz AUCCQIPVQPPPMD-UKPHBRMFSA-N -1 3 319.420 3.891 20 0 DHADHM Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1F ZINC000469816747 339301965 /nfs/dbraw/zinc/30/19/65/339301965.db2.gz OAWIUOAKRCVTPD-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM Cn1c2cc(Br)ccc2nc1-c1cc([O-])cc(F)c1 ZINC000471437414 339344906 /nfs/dbraw/zinc/34/49/06/339344906.db2.gz RCVHEBHKIRVUPO-UHFFFAOYSA-N -1 3 321.149 3.848 20 0 DHADHM COC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471578432 339347854 /nfs/dbraw/zinc/34/78/54/339347854.db2.gz QQCUMIINPTUDMP-UHFFFAOYSA-N -1 3 321.332 3.584 20 0 DHADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000471640905 339350219 /nfs/dbraw/zinc/35/02/19/339350219.db2.gz BHVXJPMYJOLIQZ-LBPRGKRZSA-N -1 3 310.806 3.629 20 0 DHADHM CC(C)(C)C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000471752784 339353107 /nfs/dbraw/zinc/35/31/07/339353107.db2.gz ZZYDUJHTUXWZRI-LBPRGKRZSA-N -1 3 304.415 3.756 20 0 DHADHM CC(C)(C)C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000471767134 339353509 /nfs/dbraw/zinc/35/35/09/339353509.db2.gz GSOCUIVMKNPMDI-LBPRGKRZSA-N -1 3 322.405 3.895 20 0 DHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1c[n-]nn1 ZINC000472375675 339371248 /nfs/dbraw/zinc/37/12/48/339371248.db2.gz UNUQRLRWXLSAHN-HNNXBMFYSA-N -1 3 318.808 3.510 20 0 DHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1cnn[n-]1 ZINC000472375675 339371249 /nfs/dbraw/zinc/37/12/49/339371249.db2.gz UNUQRLRWXLSAHN-HNNXBMFYSA-N -1 3 318.808 3.510 20 0 DHADHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1cn[n-]n1 ZINC000472375675 339371250 /nfs/dbraw/zinc/37/12/50/339371250.db2.gz UNUQRLRWXLSAHN-HNNXBMFYSA-N -1 3 318.808 3.510 20 0 DHADHM Cc1nc(CC2CC2)oc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000476328283 339474471 /nfs/dbraw/zinc/47/44/71/339474471.db2.gz QUQGWDJWICMJFU-UHFFFAOYSA-N -1 3 320.776 3.855 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3cccc(O)c3OC)ccc12 ZINC000478906647 339524424 /nfs/dbraw/zinc/52/44/24/339524424.db2.gz AXQCGDNLOSPEAN-VOTSOKGWSA-N -1 3 323.348 3.834 20 0 DHADHM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000479213374 339529158 /nfs/dbraw/zinc/52/91/58/339529158.db2.gz SIGVWRDWFIUISM-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM CCCc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486054711 339719358 /nfs/dbraw/zinc/71/93/58/339719358.db2.gz WXRYIYANPAZWPW-FPLPWBNLSA-N -1 3 317.392 3.955 20 0 DHADHM CCCc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000486054709 339719373 /nfs/dbraw/zinc/71/93/73/339719373.db2.gz WXRYIYANPAZWPW-BQYQJAHWSA-N -1 3 317.392 3.955 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000486150254 339722171 /nfs/dbraw/zinc/72/21/71/339722171.db2.gz XQRUUQRFSANEJZ-AATRIKPKSA-N -1 3 310.275 3.602 20 0 DHADHM CCc1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)ccc1[O-] ZINC000486652329 339730390 /nfs/dbraw/zinc/73/03/90/339730390.db2.gz PAOOKIDMCPBBBC-UHFFFAOYSA-N -1 3 315.760 3.737 20 0 DHADHM CCc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000486739330 339732928 /nfs/dbraw/zinc/73/29/28/339732928.db2.gz OELSPSKQFBPRML-INIZCTEOSA-N -1 3 313.372 3.723 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C)c2cccc(F)c2F)ccc1[O-] ZINC000486889366 339737339 /nfs/dbraw/zinc/73/73/39/339737339.db2.gz VZDNEVOXXWKIJE-JTQLQIEISA-N -1 3 305.324 3.724 20 0 DHADHM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc([O-])cc2F)s1 ZINC000492490528 339902151 /nfs/dbraw/zinc/90/21/51/339902151.db2.gz OIFBEMZCEXXWMP-ALCCZGGFSA-N -1 3 320.389 3.937 20 0 DHADHM COc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ccc1[O-] ZINC000493006818 339914784 /nfs/dbraw/zinc/91/47/84/339914784.db2.gz WJANXKXJVXBZBS-GXTWGEPZSA-N -1 3 305.418 3.688 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ccc1[O-] ZINC000496634022 340009423 /nfs/dbraw/zinc/00/94/23/340009423.db2.gz VNCDHWLNCVUVER-OAHLLOKOSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)ccc1[O-] ZINC000499660942 340042356 /nfs/dbraw/zinc/04/23/56/340042356.db2.gz QOCDIUVJFZOPER-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM Cc1ccc(F)c(C(=O)[N-]c2cc(F)c(F)cc2F)c1F ZINC000499728150 340043553 /nfs/dbraw/zinc/04/35/53/340043553.db2.gz VVQLZYOPJFDTAL-UHFFFAOYSA-N -1 3 301.214 3.943 20 0 DHADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000500100301 340050316 /nfs/dbraw/zinc/05/03/16/340050316.db2.gz RXCMWDMTOYRVLQ-GIPNMCIBSA-N -1 3 319.829 3.582 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(OCC(F)F)cc2)ccc1[O-] ZINC000500117266 340050531 /nfs/dbraw/zinc/05/05/31/340050531.db2.gz WOQLVPBOAUVWCT-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM CCC1(CC)CN(C(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000500879954 340069113 /nfs/dbraw/zinc/06/91/13/340069113.db2.gz HNYUEKCQBSVBQP-UHFFFAOYSA-N -1 3 320.396 3.676 20 0 DHADHM CCc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1[O-] ZINC000502147122 340096024 /nfs/dbraw/zinc/09/60/24/340096024.db2.gz JEFHSBGLKDGXMK-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM C[C@H]1C[C@@]1(NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000505759811 340176926 /nfs/dbraw/zinc/17/69/26/340176926.db2.gz GPEVELHTGBYTGO-GTNSWQLSSA-N -1 3 301.773 3.711 20 0 DHADHM CN(CCOc1ccc(F)cc1)Cc1cccc([O-])c1Cl ZINC000507042380 340205999 /nfs/dbraw/zinc/20/59/99/340205999.db2.gz WMPVVZLBMCPOCG-UHFFFAOYSA-N -1 3 309.768 3.696 20 0 DHADHM CN(CCOc1ccccc1F)Cc1cccc([O-])c1Cl ZINC000507035306 340206097 /nfs/dbraw/zinc/20/60/97/340206097.db2.gz DEIGVHICBZCOGI-UHFFFAOYSA-N -1 3 309.768 3.696 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2N(C)Cc1nc(C)ccc1[O-] ZINC000507175054 340211070 /nfs/dbraw/zinc/21/10/70/340211070.db2.gz UGOFXHODSNMSLS-GOSISDBHSA-N -1 3 312.413 3.614 20 0 DHADHM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1ccccc1Cl ZINC000508071186 340238774 /nfs/dbraw/zinc/23/87/74/340238774.db2.gz YAXMQYMRUNPQQS-UHFFFAOYSA-N -1 3 323.792 3.586 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC(C)(C)C3)nc2)n1 ZINC000508338795 340242537 /nfs/dbraw/zinc/24/25/37/340242537.db2.gz IJXVMLVKDKYNGI-CQSZACIVSA-N -1 3 312.417 3.797 20 0 DHADHM C[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508506650 340245155 /nfs/dbraw/zinc/24/51/55/340245155.db2.gz DIDWDPCKQUKXJR-LBPRGKRZSA-N -1 3 303.789 3.508 20 0 DHADHM CC[C@@H](CC(F)(F)F)C(=O)N1CCCc2cccc([O-])c21 ZINC000402646108 340251249 /nfs/dbraw/zinc/25/12/49/340251249.db2.gz QQVVQQACINAVLI-JTQLQIEISA-N -1 3 301.308 3.650 20 0 DHADHM CCCCn1c(=O)[n-]nc1SC[C@H]1CCCC(F)(F)C1 ZINC000509102409 340261473 /nfs/dbraw/zinc/26/14/73/340261473.db2.gz FQPCWKXCCMHBEG-JTQLQIEISA-N -1 3 305.394 3.701 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000509142521 340262248 /nfs/dbraw/zinc/26/22/48/340262248.db2.gz VWZVHEHHWYJEES-OUCADQQQSA-N -1 3 307.821 3.673 20 0 DHADHM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000509289032 340265465 /nfs/dbraw/zinc/26/54/65/340265465.db2.gz LXIZYEJKABXVLA-LBPRGKRZSA-N -1 3 315.800 3.814 20 0 DHADHM CC(C)CCOc1ccccc1CNC(=O)c1cccc([O-])c1 ZINC000509346130 340266733 /nfs/dbraw/zinc/26/67/33/340266733.db2.gz STPCGTGZDYMNMU-UHFFFAOYSA-N -1 3 313.397 3.747 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(c3ccccc3)CCC2)c1F ZINC000509810895 340279758 /nfs/dbraw/zinc/27/97/58/340279758.db2.gz HYBVXBBSRUHERC-UHFFFAOYSA-N -1 3 303.352 3.882 20 0 DHADHM COc1cc(C(=O)NC2(c3ccccc3)CCCC2)ccc1[O-] ZINC000509906073 340282391 /nfs/dbraw/zinc/28/23/91/340282391.db2.gz ZMMNAFKFYXBFBK-UHFFFAOYSA-N -1 3 311.381 3.600 20 0 DHADHM Cc1cccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c1[O-] ZINC000302978060 340291770 /nfs/dbraw/zinc/29/17/70/340291770.db2.gz SMPHMQJAHJNMJQ-KRWDZBQOSA-N -1 3 312.413 3.567 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000510841056 340312648 /nfs/dbraw/zinc/31/26/48/340312648.db2.gz IEGFUCQTHFRSSH-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000510841056 340312649 /nfs/dbraw/zinc/31/26/49/340312649.db2.gz IEGFUCQTHFRSSH-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000510841056 340312650 /nfs/dbraw/zinc/31/26/50/340312650.db2.gz IEGFUCQTHFRSSH-JHJVBQTASA-N -1 3 314.389 3.610 20 0 DHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000511092766 340320333 /nfs/dbraw/zinc/32/03/33/340320333.db2.gz UYKMZINWIABKJE-BDJLRTHQSA-N -1 3 313.388 3.601 20 0 DHADHM [O-]c1ccc(F)c(CNCCc2cc3ccccc3o2)c1F ZINC000511193143 340323665 /nfs/dbraw/zinc/32/36/65/340323665.db2.gz MWIFBZGDEPYZCB-UHFFFAOYSA-N -1 3 303.308 3.749 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc([O-])ccc1Cl ZINC000511701380 340335604 /nfs/dbraw/zinc/33/56/04/340335604.db2.gz PKCVXQZVTNVTNC-SWLSCSKDSA-N -1 3 322.191 3.985 20 0 DHADHM Cc1cccc([C@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F)c1 ZINC000511708973 340335865 /nfs/dbraw/zinc/33/58/65/340335865.db2.gz VXUUZYYSMBHJGZ-SCZZXKLOSA-N -1 3 313.241 3.913 20 0 DHADHM COc1cc(C(=O)Nc2ccccc2[O-])cc(OC)c1C(C)C ZINC000511896477 340342320 /nfs/dbraw/zinc/34/23/20/340342320.db2.gz NMAHHDOYCBATOS-UHFFFAOYSA-N -1 3 315.369 3.785 20 0 DHADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(F)cc1F ZINC000303737894 340344265 /nfs/dbraw/zinc/34/42/65/340344265.db2.gz HHPLRQSSSABDCI-CQSZACIVSA-N -1 3 321.323 3.560 20 0 DHADHM CC(C)(O)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000304708970 340367759 /nfs/dbraw/zinc/36/77/59/340367759.db2.gz LJMOWDLVKMAGAW-UHFFFAOYSA-N -1 3 313.423 3.674 20 0 DHADHM CSCc1cc(C(=O)Nc2c(C)cccc2[O-])ccc1F ZINC000183018255 340486205 /nfs/dbraw/zinc/48/62/05/340486205.db2.gz ZQSRCJZRBYWYHQ-UHFFFAOYSA-N -1 3 305.374 3.955 20 0 DHADHM CCCc1ncc(C(=O)[N-]c2ccc(O)cc2SC)s1 ZINC000191195522 340551112 /nfs/dbraw/zinc/55/11/12/340551112.db2.gz PLVIQOVVZLIOAH-UHFFFAOYSA-N -1 3 308.428 3.775 20 0 DHADHM Cc1ccc(Br)cc1C(=O)Nc1ccccc1[O-] ZINC000231659238 340624413 /nfs/dbraw/zinc/62/44/13/340624413.db2.gz QUPDGFWAWZGDGA-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1C ZINC000032589122 340709165 /nfs/dbraw/zinc/70/91/65/340709165.db2.gz SPNYVCYRNXJPRO-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM C[C@H]1CCCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528567542 340724202 /nfs/dbraw/zinc/72/42/02/340724202.db2.gz HUFPLCXOLCZFRZ-JTQLQIEISA-N -1 3 312.207 3.559 20 0 DHADHM CCCCO[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125338047 340803747 /nfs/dbraw/zinc/80/37/47/340803747.db2.gz UWAQBONHQIJEEZ-SECBINFHSA-N -1 3 305.296 3.555 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000126363496 340826333 /nfs/dbraw/zinc/82/63/33/340826333.db2.gz FXDXLWPAOQKGKB-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM CC(C)c1ccc(OCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128262326 340862882 /nfs/dbraw/zinc/86/28/82/340862882.db2.gz GDFPUEVNYOLALE-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM CC(C)(C)n1nc(C(=O)Nc2cccc([O-])c2F)cc1C1CC1 ZINC000128298874 340866827 /nfs/dbraw/zinc/86/68/27/340866827.db2.gz JLVYWNLDQOINDV-UHFFFAOYSA-N -1 3 317.364 3.613 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000539847709 340905610 /nfs/dbraw/zinc/90/56/10/340905610.db2.gz ROFVONRFPBRTBX-QGZVFWFLSA-N -1 3 309.409 3.802 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cncc3ccccc32)c1[O-] ZINC000539864484 340907599 /nfs/dbraw/zinc/90/75/99/340907599.db2.gz JCASOQGXDNIBDN-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000539874557 340907708 /nfs/dbraw/zinc/90/77/08/340907708.db2.gz VCUPKCIFJBEBLL-UHFFFAOYSA-N -1 3 319.351 3.862 20 0 DHADHM O=C(CCc1nc2ccccc2s1)Nc1cccc([O-])c1F ZINC000129641375 340978184 /nfs/dbraw/zinc/97/81/84/340978184.db2.gz DAWIIXKPPDYTRM-UHFFFAOYSA-N -1 3 316.357 3.712 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000543746730 341056574 /nfs/dbraw/zinc/05/65/74/341056574.db2.gz TYYJNANKNUBFFA-CQSZACIVSA-N -1 3 315.344 3.678 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1cc(-c2cccc(F)c2)no1 ZINC000543963437 341064392 /nfs/dbraw/zinc/06/43/92/341064392.db2.gz WDPKQAUOMUOAEG-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c1[O-] ZINC000544318334 341076574 /nfs/dbraw/zinc/07/65/74/341076574.db2.gz VUOSAMHUMAKKMG-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@@H]4Cc5ccccc54)no3)n[n-]2)o1 ZINC000544984197 341102891 /nfs/dbraw/zinc/10/28/91/341102891.db2.gz LWFZZNAMLYHYJA-CYBMUJFWSA-N -1 3 318.336 3.716 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@@H]4Cc5ccccc54)no3)[n-]n2)o1 ZINC000544984197 341102892 /nfs/dbraw/zinc/10/28/92/341102892.db2.gz LWFZZNAMLYHYJA-CYBMUJFWSA-N -1 3 318.336 3.716 20 0 DHADHM C[C@@H]1C[C@@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCO1 ZINC000545091960 341108023 /nfs/dbraw/zinc/10/80/23/341108023.db2.gz HQENJRPVQDQEGQ-YPMHNXCESA-N -1 3 314.385 3.604 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(Cl)cc1Cl ZINC000073973391 341124215 /nfs/dbraw/zinc/12/42/15/341124215.db2.gz STGBMAWXZWYCMV-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1Cl ZINC000073973391 341124216 /nfs/dbraw/zinc/12/42/16/341124216.db2.gz STGBMAWXZWYCMV-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)cc1Cl ZINC000073973391 341124217 /nfs/dbraw/zinc/12/42/17/341124217.db2.gz STGBMAWXZWYCMV-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1F ZINC000133755600 341185512 /nfs/dbraw/zinc/18/55/12/341185512.db2.gz GNMLEMGVOHUPNK-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM c1coc(-c2cc(-c3nc(C4Cc5ccccc5C4)no3)n[n-]2)c1 ZINC000547087554 341195431 /nfs/dbraw/zinc/19/54/31/341195431.db2.gz BJPSXVGYTYTXGS-UHFFFAOYSA-N -1 3 318.336 3.602 20 0 DHADHM c1coc(-c2cc(-c3nc(C4Cc5ccccc5C4)no3)[n-]n2)c1 ZINC000547087554 341195432 /nfs/dbraw/zinc/19/54/32/341195432.db2.gz BJPSXVGYTYTXGS-UHFFFAOYSA-N -1 3 318.336 3.602 20 0 DHADHM CCC(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000134377684 341214236 /nfs/dbraw/zinc/21/42/36/341214236.db2.gz LJUJFODFYADLAS-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000077612548 341227414 /nfs/dbraw/zinc/22/74/14/341227414.db2.gz SYZWGEGKRISERE-UWVGGRQHSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(Nc1cncc2ccccc21)c1cn[n-]c1-c1ccsc1 ZINC000547719172 341228551 /nfs/dbraw/zinc/22/85/51/341228551.db2.gz RVQPHBSYYUYUHC-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM O=C(Nc1cncc2ccccc21)c1c[n-]nc1-c1ccsc1 ZINC000547719172 341228552 /nfs/dbraw/zinc/22/85/52/341228552.db2.gz RVQPHBSYYUYUHC-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(C)c1F ZINC000078234818 341238699 /nfs/dbraw/zinc/23/86/99/341238699.db2.gz NGIHBHYFRQNXJY-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(F)cc1F ZINC000078490904 341242975 /nfs/dbraw/zinc/24/29/75/341242975.db2.gz KWBBBUYWSFMTEN-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000078577301 341244266 /nfs/dbraw/zinc/24/42/66/341244266.db2.gz OBBAIOJEMNNFHN-OAHLLOKOSA-N -1 3 315.344 3.517 20 0 DHADHM CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc([O-])cc1Cl ZINC000136058291 341251942 /nfs/dbraw/zinc/25/19/42/341251942.db2.gz GRBJEHKHBPXMSY-UHFFFAOYSA-N -1 3 324.207 3.900 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000549173759 341287963 /nfs/dbraw/zinc/28/79/63/341287963.db2.gz VBLICAKIPOWXCB-NRSFXHEJSA-N -1 3 323.440 3.962 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccncc1 ZINC000081459973 341291784 /nfs/dbraw/zinc/29/17/84/341291784.db2.gz NOGJLSLILNFQRA-UHFFFAOYSA-N -1 3 304.349 3.630 20 0 DHADHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000550648993 341320503 /nfs/dbraw/zinc/32/05/03/341320503.db2.gz UKQKZYDZNYXLTC-HNNXBMFYSA-N -1 3 317.772 3.526 20 0 DHADHM Cc1cccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)n1 ZINC000551332075 341338864 /nfs/dbraw/zinc/33/88/64/341338864.db2.gz FDEJGRPAUONFES-OAHLLOKOSA-N -1 3 304.340 3.711 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1cc(-c2cccc(F)c2)no1 ZINC000551630797 341347610 /nfs/dbraw/zinc/34/76/10/341347610.db2.gz DNLRDEBFXBXTKA-UHFFFAOYSA-N -1 3 323.283 3.874 20 0 DHADHM Cc1ccccc1[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC000552050967 341365223 /nfs/dbraw/zinc/36/52/23/341365223.db2.gz WHGGVYNOOAGNNB-QGZVFWFLSA-N -1 3 319.351 3.552 20 0 DHADHM CCC(CC)c1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])on1 ZINC000552285728 341384313 /nfs/dbraw/zinc/38/43/13/341384313.db2.gz AECRSXRKQPIOOM-UHFFFAOYSA-N -1 3 316.357 3.739 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000552286503 341384371 /nfs/dbraw/zinc/38/43/71/341384371.db2.gz RFUFRZAYGZSWLD-VIFPVBQESA-N -1 3 319.307 3.615 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C)nc3ccccc32)c1[O-] ZINC000552287257 341384457 /nfs/dbraw/zinc/38/44/57/341384457.db2.gz MQZVNWALLGCMIP-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000552422968 341392735 /nfs/dbraw/zinc/39/27/35/341392735.db2.gz LQLWXNLSOUCNRT-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM COc1ccccc1CCC(=O)Nc1c([O-])cccc1Cl ZINC000552432523 341393439 /nfs/dbraw/zinc/39/34/39/341393439.db2.gz OUXVKJCLOCXNIY-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)oc2c1C(=O)CCC2 ZINC000552435769 341393710 /nfs/dbraw/zinc/39/37/10/341393710.db2.gz YYZHRDFVCYNUJT-UHFFFAOYSA-N -1 3 319.744 3.718 20 0 DHADHM CC[C@@H](C)Oc1cc(C(=O)Nc2c([O-])cccc2Cl)ccn1 ZINC000552783439 341404248 /nfs/dbraw/zinc/40/42/48/341404248.db2.gz WDSMJXCFUJNDRZ-SNVBAGLBSA-N -1 3 320.776 3.870 20 0 DHADHM CCc1cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)ccc1[O-] ZINC000553000085 341412284 /nfs/dbraw/zinc/41/22/84/341412284.db2.gz NHPVOTJCAUMHJS-GFCCVEGCSA-N -1 3 311.372 3.900 20 0 DHADHM CCc1ccc([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000553591689 341432196 /nfs/dbraw/zinc/43/21/96/341432196.db2.gz NXRWAOGXEIKCMF-GOSISDBHSA-N -1 3 309.409 3.974 20 0 DHADHM CCOC(=O)C(C)(C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000553657474 341433411 /nfs/dbraw/zinc/43/34/11/341433411.db2.gz CFRYPOLXLVIRMF-UHFFFAOYSA-N -1 3 321.417 3.608 20 0 DHADHM CC(=O)c1csc([N-]c2ncnc3cc(Cl)ccc32)n1 ZINC000163080108 341485557 /nfs/dbraw/zinc/48/55/57/341485557.db2.gz ATEVWWGKCGRRGQ-UHFFFAOYSA-N -1 3 304.762 3.686 20 0 DHADHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000556064811 341493334 /nfs/dbraw/zinc/49/33/34/341493334.db2.gz NKZSLMHFJKFRIQ-MGPLVRAMSA-N -1 3 301.773 3.709 20 0 DHADHM c1nc([N-]c2ncnc3ncccc23)sc1-c1ccccc1 ZINC000163241498 341600298 /nfs/dbraw/zinc/60/02/98/341600298.db2.gz CMTALAXJJPAYGP-UHFFFAOYSA-N -1 3 305.366 3.892 20 0 DHADHM Cc1ccc(SCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155682164 341611286 /nfs/dbraw/zinc/61/12/86/341611286.db2.gz QPVDOFJWXBYKMO-UHFFFAOYSA-N -1 3 313.422 3.772 20 0 DHADHM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(F)ccc3[O-])c2c1 ZINC000174906396 341832922 /nfs/dbraw/zinc/83/29/22/341832922.db2.gz AEZQBSIPYFQTRW-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176434728 341875518 /nfs/dbraw/zinc/87/55/18/341875518.db2.gz FJPVJKSHVLYUDD-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000192725635 341886665 /nfs/dbraw/zinc/88/66/65/341886665.db2.gz MZGCGVIABGZEEZ-WDEREUQCSA-N -1 3 323.343 3.504 20 0 DHADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000178326743 341951806 /nfs/dbraw/zinc/95/18/06/341951806.db2.gz FCEIZEZUKXZKEL-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM CC(C)(c1nnc([N-]C(=O)c2ccoc2)s1)c1ccccc1 ZINC000106685100 519383262 /nfs/dbraw/zinc/38/32/62/519383262.db2.gz GBXPEDNYXKZUHW-UHFFFAOYSA-N -1 3 313.382 3.709 20 0 DHADHM CC(C)c1cnc(NC(=O)Cc2ccc([O-])cc2Cl)s1 ZINC000154855645 519851753 /nfs/dbraw/zinc/85/17/53/519851753.db2.gz XQIIHAYUJIINOW-UHFFFAOYSA-N -1 3 310.806 3.807 20 0 DHADHM CC[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccc(OC)cc1 ZINC000162932979 522105987 /nfs/dbraw/zinc/10/59/87/522105987.db2.gz XSSRDMMVFLBTCR-LLVKDONJSA-N -1 3 319.323 3.579 20 0 DHADHM CCc1nc(CCNCc2cccc([O-])c2Cl)sc1C ZINC000339220843 522279191 /nfs/dbraw/zinc/27/91/91/522279191.db2.gz UJQJVGRVPIJHBO-UHFFFAOYSA-N -1 3 310.850 3.705 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3noc(C)n3)c2)ccc1[O-] ZINC000365960168 523777875 /nfs/dbraw/zinc/77/78/75/523777875.db2.gz JCTRNNOKNLAEDC-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CC[C@H](C)C(=O)Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000265761739 523821890 /nfs/dbraw/zinc/82/18/90/523821890.db2.gz BGSFZVFWWUUCIC-VIFPVBQESA-N -1 3 306.431 3.852 20 0 DHADHM C[C@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000336915992 524168411 /nfs/dbraw/zinc/16/84/11/524168411.db2.gz BRTOPOPEAYHVBX-WPRPVWTQSA-N -1 3 309.822 3.710 20 0 DHADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189059041 524311614 /nfs/dbraw/zinc/31/16/14/524311614.db2.gz DJTZYDRUYDHJEZ-NXEZZACHSA-N -1 3 301.308 3.720 20 0 DHADHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189058998 524405330 /nfs/dbraw/zinc/40/53/30/524405330.db2.gz DJTZYDRUYDHJEZ-ZJUUUORDSA-N -1 3 301.308 3.720 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)c3ccccc3n2)n1 ZINC000339511433 525359226 /nfs/dbraw/zinc/35/92/26/525359226.db2.gz DYEZGKCGZZSEOW-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1[O-] ZINC000365012325 525799252 /nfs/dbraw/zinc/79/92/52/525799252.db2.gz MNULKJSYKBCPFE-DBTPVHCXSA-N -1 3 323.392 3.719 20 0 DHADHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337670801 526508947 /nfs/dbraw/zinc/50/89/47/526508947.db2.gz XGJRDDFNYCJKCP-SNVBAGLBSA-N -1 3 315.417 3.772 20 0 DHADHM O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155666430 526510332 /nfs/dbraw/zinc/51/03/32/526510332.db2.gz OVBZDAJHVNASRC-JKSUJKDBSA-N -1 3 311.356 3.614 20 0 DHADHM COC(C)(C)c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000273413511 536498741 /nfs/dbraw/zinc/49/87/41/536498741.db2.gz NDWGJAVQRYQAGI-UHFFFAOYSA-N -1 3 324.380 3.915 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000267378997 527127172 /nfs/dbraw/zinc/12/71/72/527127172.db2.gz UHIVOXZKINSJQF-BDAKNGLRSA-N -1 3 305.271 3.839 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1c[n-]nc1-c1ccncc1 ZINC000337247950 527378035 /nfs/dbraw/zinc/37/80/35/527378035.db2.gz KQRAITGKKASPDI-UHFFFAOYSA-N -1 3 318.380 3.603 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1cn[n-]c1-c1ccncc1 ZINC000337247950 527378038 /nfs/dbraw/zinc/37/80/38/527378038.db2.gz KQRAITGKKASPDI-UHFFFAOYSA-N -1 3 318.380 3.603 20 0 DHADHM CC(F)(F)c1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275497045 535214870 /nfs/dbraw/zinc/21/48/70/535214870.db2.gz ROALPCRFQUSBJQ-UHFFFAOYSA-N -1 3 312.238 3.804 20 0 DHADHM CC(F)(F)c1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275497045 535214875 /nfs/dbraw/zinc/21/48/75/535214875.db2.gz ROALPCRFQUSBJQ-UHFFFAOYSA-N -1 3 312.238 3.804 20 0 DHADHM CCSc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000340746602 535735225 /nfs/dbraw/zinc/73/52/25/535735225.db2.gz ZUVFMTPODCLHLF-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SC3CCCC3)n2)cc1 ZINC000738421791 598903113 /nfs/dbraw/zinc/90/31/13/598903113.db2.gz VVYXANLYBVMKBW-UHFFFAOYSA-N -1 3 323.425 3.963 20 0 DHADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SC3CCCC3)n2)cc1 ZINC000738421791 598903114 /nfs/dbraw/zinc/90/31/14/598903114.db2.gz VVYXANLYBVMKBW-UHFFFAOYSA-N -1 3 323.425 3.963 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H](CC1CC1)c1ccccc1 ZINC000822744291 599053978 /nfs/dbraw/zinc/05/39/78/599053978.db2.gz PVXCIHAJIJORHH-QGZVFWFLSA-N -1 3 323.375 3.959 20 0 DHADHM O=C([O-])[C@@H](NCc1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000037966681 601970402 /nfs/dbraw/zinc/97/04/02/601970402.db2.gz GBGURZINXPSUGI-LBPRGKRZSA-N -1 3 316.209 3.970 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736436125 599224395 /nfs/dbraw/zinc/22/43/95/599224395.db2.gz AZDNLKJHNJKSDF-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736436125 599224396 /nfs/dbraw/zinc/22/43/96/599224396.db2.gz AZDNLKJHNJKSDF-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cnc2ccsc2c1 ZINC000818054072 597244505 /nfs/dbraw/zinc/24/45/05/597244505.db2.gz XCWLURWJLDQHDW-LLVKDONJSA-N -1 3 312.394 3.845 20 0 DHADHM C[C@@H](Sc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192976 599285203 /nfs/dbraw/zinc/28/52/03/599285203.db2.gz ONXQRDMHPSNFJI-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192976 599285204 /nfs/dbraw/zinc/28/52/04/599285204.db2.gz ONXQRDMHPSNFJI-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824450059 607844564 /nfs/dbraw/zinc/84/45/64/607844564.db2.gz RJFNNYDCMSFZAI-ZCFIWIBFSA-N -1 3 322.743 3.811 20 0 DHADHM C[C@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824450059 607844565 /nfs/dbraw/zinc/84/45/65/607844565.db2.gz RJFNNYDCMSFZAI-ZCFIWIBFSA-N -1 3 322.743 3.811 20 0 DHADHM Fc1cccc(SCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000737664803 598242617 /nfs/dbraw/zinc/24/26/17/598242617.db2.gz OKYKEJXJHDUDJO-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(F)c(CSCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737658085 598313954 /nfs/dbraw/zinc/31/39/54/598313954.db2.gz CQHDPTARJMRFDV-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1ccc(F)c(CSCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737658085 598313956 /nfs/dbraw/zinc/31/39/56/598313956.db2.gz CQHDPTARJMRFDV-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736138173 598426965 /nfs/dbraw/zinc/42/69/65/598426965.db2.gz OPFWKCBTQWWXBS-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736138173 598426967 /nfs/dbraw/zinc/42/69/67/598426967.db2.gz OPFWKCBTQWWXBS-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCCC2)cc1 ZINC000738429238 598522231 /nfs/dbraw/zinc/52/22/31/598522231.db2.gz WKIOISAFWIRHNA-KRWDZBQOSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCCC2)cc1 ZINC000738429238 598522232 /nfs/dbraw/zinc/52/22/32/598522232.db2.gz WKIOISAFWIRHNA-KRWDZBQOSA-N -1 3 320.400 3.605 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c(C)c1 ZINC000737341499 598793033 /nfs/dbraw/zinc/79/30/33/598793033.db2.gz IQLPPAJFEYZNPF-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c(C)c1 ZINC000737341499 598793035 /nfs/dbraw/zinc/79/30/35/598793035.db2.gz IQLPPAJFEYZNPF-UHFFFAOYSA-N -1 3 313.792 3.749 20 0 DHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1C[C@H](C)c2ccccc21 ZINC000736289047 599338115 /nfs/dbraw/zinc/33/81/15/599338115.db2.gz CHMVPQKLCFLKHF-QWHCGFSZSA-N -1 3 305.385 3.551 20 0 DHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@H](C)c2ccccc21 ZINC000736289047 599338118 /nfs/dbraw/zinc/33/81/18/599338118.db2.gz CHMVPQKLCFLKHF-QWHCGFSZSA-N -1 3 305.385 3.551 20 0 DHADHM Clc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000822574181 599338521 /nfs/dbraw/zinc/33/85/21/599338521.db2.gz PMGKNGRPQWQBCK-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822574181 599338523 /nfs/dbraw/zinc/33/85/23/599338523.db2.gz PMGKNGRPQWQBCK-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM CCOc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000821438341 599345207 /nfs/dbraw/zinc/34/52/07/599345207.db2.gz ZSACADOXIHBFFJ-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM CCOc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000821438341 599345209 /nfs/dbraw/zinc/34/52/09/599345209.db2.gz ZSACADOXIHBFFJ-UHFFFAOYSA-N -1 3 312.398 3.558 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736136718 599440079 /nfs/dbraw/zinc/44/00/79/599440079.db2.gz GTYWADIPYWWOTN-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000736136716 599440290 /nfs/dbraw/zinc/44/02/90/599440290.db2.gz GTYWADIPYWWOTN-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000822238863 599480466 /nfs/dbraw/zinc/48/04/66/599480466.db2.gz XZFYJRCSMAUIBA-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000822238863 599480469 /nfs/dbraw/zinc/48/04/69/599480469.db2.gz XZFYJRCSMAUIBA-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CC[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736328060 599522482 /nfs/dbraw/zinc/52/24/82/599522482.db2.gz NPEYVJIYFQRPBF-NSHDSACASA-N -1 3 311.414 3.819 20 0 DHADHM CC[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736328060 599522484 /nfs/dbraw/zinc/52/24/84/599522484.db2.gz NPEYVJIYFQRPBF-NSHDSACASA-N -1 3 311.414 3.819 20 0 DHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000736370921 599528404 /nfs/dbraw/zinc/52/84/04/599528404.db2.gz UBBUCSULCRDHSY-HNNXBMFYSA-N -1 3 315.327 3.708 20 0 DHADHM Clc1cc(N2CCC3(CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC000737565663 599537000 /nfs/dbraw/zinc/53/70/00/599537000.db2.gz NYXCZSDJGPLBMJ-UHFFFAOYSA-N -1 3 317.824 3.681 20 0 DHADHM Clc1cc(N2CCC3(CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737565663 599537002 /nfs/dbraw/zinc/53/70/02/599537002.db2.gz NYXCZSDJGPLBMJ-UHFFFAOYSA-N -1 3 317.824 3.681 20 0 DHADHM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000650506723 599937434 /nfs/dbraw/zinc/93/74/34/599937434.db2.gz YAQRBTNIULAYQZ-ZDUSSCGKSA-N -1 3 320.414 3.541 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000740077051 600090073 /nfs/dbraw/zinc/09/00/73/600090073.db2.gz BAAOHVAZTMLRCI-QGZVFWFLSA-N -1 3 315.344 3.567 20 0 DHADHM CCCC[C@H](Nc1cccc2c1CN(CCCC)C2)C(=O)[O-] ZINC000736983331 600156196 /nfs/dbraw/zinc/15/61/96/600156196.db2.gz ZUFNBIQFUCFEOW-KRWDZBQOSA-N -1 3 304.434 3.858 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000050509343 600427521 /nfs/dbraw/zinc/42/75/21/600427521.db2.gz JZWXHMMINYKKLW-MEBBXXQBSA-N -1 3 307.752 3.956 20 0 DHADHM CCOc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737211339 600429934 /nfs/dbraw/zinc/42/99/34/600429934.db2.gz RWBQHMLUNHFXEO-SJCJKPOMSA-N -1 3 317.360 3.701 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccccc2-c2ccccc2)o1 ZINC000740133058 600525038 /nfs/dbraw/zinc/52/50/38/600525038.db2.gz SLFDBRLRDWWLBD-UHFFFAOYSA-N -1 3 307.349 3.935 20 0 DHADHM CCc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830236974 600732372 /nfs/dbraw/zinc/73/23/72/600732372.db2.gz FJLOFHDEGQAKPC-SJCJKPOMSA-N -1 3 301.361 3.865 20 0 DHADHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832921883 600742130 /nfs/dbraw/zinc/74/21/30/600742130.db2.gz YBSOZICTHANVCG-DYVFJYSZSA-N -1 3 301.361 3.919 20 0 DHADHM C/C(=C\CN1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825740858 601162168 /nfs/dbraw/zinc/16/21/68/601162168.db2.gz CHUXRASTLAXZHT-BMGYJQCNSA-N -1 3 313.319 3.873 20 0 DHADHM Cc1nc(C)c(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000566510367 601432601 /nfs/dbraw/zinc/43/26/01/601432601.db2.gz PLAOKGSKFUKYCP-GJZGRUSLSA-N -1 3 322.474 3.615 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000828664555 601432866 /nfs/dbraw/zinc/43/28/66/601432866.db2.gz BXGMEYKYCSAJRT-INIZCTEOSA-N -1 3 322.405 3.682 20 0 DHADHM O=C([O-])c1cccc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000263486923 601610753 /nfs/dbraw/zinc/61/07/53/601610753.db2.gz PSHGSYMXTREWDN-UHFFFAOYSA-N -1 3 301.308 3.549 20 0 DHADHM COc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC000652385940 601616624 /nfs/dbraw/zinc/61/66/24/601616624.db2.gz LENDTWYOQZZDHH-NSHDSACASA-N -1 3 319.426 3.956 20 0 DHADHM COc1ccc(CN(Cc2ccsc2C(=O)[O-])C2CC2)cc1 ZINC000580084986 601805909 /nfs/dbraw/zinc/80/59/09/601805909.db2.gz IXVIILFNNQVWKO-UHFFFAOYSA-N -1 3 317.410 3.620 20 0 DHADHM O=C([O-])c1cc(CNC2(c3ccc(Cl)cc3)CCC2)c[nH]1 ZINC000833296647 601832872 /nfs/dbraw/zinc/83/28/72/601832872.db2.gz NQQCIYQICNMBME-UHFFFAOYSA-N -1 3 304.777 3.535 20 0 DHADHM O=C([O-])CCC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000662218025 601839818 /nfs/dbraw/zinc/83/98/18/601839818.db2.gz KNAPYKGGIRBWDJ-UHFFFAOYSA-N -1 3 313.800 3.598 20 0 DHADHM CCCCc1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000829440814 601881291 /nfs/dbraw/zinc/88/12/91/601881291.db2.gz QLTQFRFZPUBEDV-UHFFFAOYSA-N -1 3 310.463 3.753 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251101301 601919565 /nfs/dbraw/zinc/91/95/65/601919565.db2.gz RIMCFVGILURIRE-ZIAGYGMSSA-N -1 3 313.850 3.683 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1cc(-c2cccs2)on1 ZINC000828800463 602211870 /nfs/dbraw/zinc/21/18/70/602211870.db2.gz XLGVCFLOFRVVCE-UHFFFAOYSA-N -1 3 308.403 3.526 20 0 DHADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2F)s1 ZINC000263399421 604524501 /nfs/dbraw/zinc/52/45/01/604524501.db2.gz HPUHCVHFJCNPFA-CQSZACIVSA-N -1 3 305.374 3.603 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000826105649 604628604 /nfs/dbraw/zinc/62/86/04/604628604.db2.gz FGRSUQHNPFNDNW-MRXNPFEDSA-N -1 3 319.351 3.907 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000833546276 605046985 /nfs/dbraw/zinc/04/69/85/605046985.db2.gz FBSQIRWMOGOTIK-HIFRSBDPSA-N -1 3 314.385 3.615 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000833546280 605047379 /nfs/dbraw/zinc/04/73/79/605047379.db2.gz FBSQIRWMOGOTIK-ZFWWWQNUSA-N -1 3 314.385 3.615 20 0 DHADHM C[C@@]1(NCc2csc(C3CCCC3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833571424 605070046 /nfs/dbraw/zinc/07/00/46/605070046.db2.gz YXXRSMLDHOXGJG-RHSMWYFYSA-N -1 3 322.474 3.924 20 0 DHADHM C[C@@H](NCCc1ccc(NC(=O)[O-])cc1)c1cccnc1Cl ZINC000825503660 605109985 /nfs/dbraw/zinc/10/99/85/605109985.db2.gz WPACQXDKHGFOSA-LLVKDONJSA-N -1 3 319.792 3.718 20 0 DHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccsc1 ZINC000825503350 605118644 /nfs/dbraw/zinc/11/86/44/605118644.db2.gz RGJNGEIKQYHGIZ-NEPJUHHUSA-N -1 3 304.415 3.928 20 0 DHADHM CC(C)COc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000833490879 605173204 /nfs/dbraw/zinc/17/32/04/605173204.db2.gz ZUEMHYRNLFFMJD-ZDUSSCGKSA-N -1 3 317.385 3.863 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833672886 605270099 /nfs/dbraw/zinc/27/00/99/605270099.db2.gz GHQVDNXLSHXFIV-BDJLRTHQSA-N -1 3 318.804 3.774 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000833584501 605316371 /nfs/dbraw/zinc/31/63/71/605316371.db2.gz NPULTKIDMMRFCZ-GDBMZVCRSA-N -1 3 321.804 3.624 20 0 DHADHM O=C([O-])Nc1ccc(CN2CCC(c3ccccc3)CC2)cn1 ZINC000834259899 605469982 /nfs/dbraw/zinc/46/99/82/605469982.db2.gz IMOAIAMOEJFPDC-UHFFFAOYSA-N -1 3 311.385 3.551 20 0 DHADHM Cc1nc([C@H](C)NCCc2ccc(NC(=O)[O-])cc2)c(C)s1 ZINC000830708761 605513326 /nfs/dbraw/zinc/51/33/26/605513326.db2.gz CROGZUQHMYYPNS-JTQLQIEISA-N -1 3 319.430 3.743 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c(F)c1 ZINC000834262707 605592526 /nfs/dbraw/zinc/59/25/26/605592526.db2.gz NNHNBOUHKQHBKK-MRXNPFEDSA-N -1 3 318.323 3.832 20 0 DHADHM Fc1cccc(CSCc2ccccc2-c2nnn[n-]2)c1F ZINC000822786552 606131338 /nfs/dbraw/zinc/13/13/38/606131338.db2.gz MOGHECKZEDKVAT-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(CSCc2ccccc2-c2nn[n-]n2)c1F ZINC000822786552 606131339 /nfs/dbraw/zinc/13/13/39/606131339.db2.gz MOGHECKZEDKVAT-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820555034 606326844 /nfs/dbraw/zinc/32/68/44/606326844.db2.gz DZQJDEKLQJVTIW-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820555034 606326845 /nfs/dbraw/zinc/32/68/45/606326845.db2.gz DZQJDEKLQJVTIW-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)s1 ZINC000822221331 606454312 /nfs/dbraw/zinc/45/43/12/606454312.db2.gz KOWOZEVOLQTWPU-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)s1 ZINC000822221331 606454313 /nfs/dbraw/zinc/45/43/13/606454313.db2.gz KOWOZEVOLQTWPU-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822259308 606926219 /nfs/dbraw/zinc/92/62/19/606926219.db2.gz TVCZSFZKPVLNLT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822259308 606926220 /nfs/dbraw/zinc/92/62/20/606926220.db2.gz TVCZSFZKPVLNLT-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CSc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000822200856 607013934 /nfs/dbraw/zinc/01/39/34/607013934.db2.gz FVCMTGSXKFPPEP-UHFFFAOYSA-N -1 3 302.428 3.837 20 0 DHADHM Cc1cc(CSc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000822200856 607013936 /nfs/dbraw/zinc/01/39/36/607013936.db2.gz FVCMTGSXKFPPEP-UHFFFAOYSA-N -1 3 302.428 3.837 20 0 DHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000824662257 608226408 /nfs/dbraw/zinc/22/64/08/608226408.db2.gz GVUFPZLQBZDWPH-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000824662257 608226410 /nfs/dbraw/zinc/22/64/10/608226410.db2.gz GVUFPZLQBZDWPH-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000826274862 608300360 /nfs/dbraw/zinc/30/03/60/608300360.db2.gz HHTXVHUNUGGCLK-BZNIZROVSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000826274862 608300361 /nfs/dbraw/zinc/30/03/61/608300361.db2.gz HHTXVHUNUGGCLK-BZNIZROVSA-N -1 3 320.400 3.621 20 0 DHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C(C)C)cc1 ZINC000826170590 608319468 /nfs/dbraw/zinc/31/94/68/608319468.db2.gz HCMQCPUENWFUJH-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C(C)C)cc1 ZINC000826170590 608319470 /nfs/dbraw/zinc/31/94/70/608319470.db2.gz HCMQCPUENWFUJH-UHFFFAOYSA-N -1 3 323.400 3.611 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826267762 608479304 /nfs/dbraw/zinc/47/93/04/608479304.db2.gz VNMGMEKTDSPFKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(Cl)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826267762 608479306 /nfs/dbraw/zinc/47/93/06/608479306.db2.gz VNMGMEKTDSPFKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM CCc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825723342 609157610 /nfs/dbraw/zinc/15/76/10/609157610.db2.gz YVGWWYOUWMCCKE-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825723342 609157612 /nfs/dbraw/zinc/15/76/12/609157612.db2.gz YVGWWYOUWMCCKE-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccnc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308278 609183959 /nfs/dbraw/zinc/18/39/59/609183959.db2.gz RHVXXEYLGLOGGZ-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM Cc1cccnc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308278 609183960 /nfs/dbraw/zinc/18/39/60/609183960.db2.gz RHVXXEYLGLOGGZ-GFCCVEGCSA-N -1 3 311.414 3.565 20 0 DHADHM FCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826370548 609185608 /nfs/dbraw/zinc/18/56/08/609185608.db2.gz YDLOCLNWWPHWNS-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM FCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826370548 609185610 /nfs/dbraw/zinc/18/56/10/609185610.db2.gz YDLOCLNWWPHWNS-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM Cc1cscc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826321086 609249082 /nfs/dbraw/zinc/24/90/82/609249082.db2.gz PQOVBPABPCHYTK-CQSZACIVSA-N -1 3 311.414 3.726 20 0 DHADHM Cc1cscc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826321086 609249083 /nfs/dbraw/zinc/24/90/83/609249083.db2.gz PQOVBPABPCHYTK-CQSZACIVSA-N -1 3 311.414 3.726 20 0 DHADHM CCCOc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342580 609252977 /nfs/dbraw/zinc/25/29/77/609252977.db2.gz VAUHYCZRJDWQRN-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342580 609252979 /nfs/dbraw/zinc/25/29/79/609252979.db2.gz VAUHYCZRJDWQRN-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC000826299788 609255313 /nfs/dbraw/zinc/25/53/13/609255313.db2.gz VEKVGYOTQPONBW-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC000826299788 609255315 /nfs/dbraw/zinc/25/53/15/609255315.db2.gz VEKVGYOTQPONBW-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826268925 609267436 /nfs/dbraw/zinc/26/74/36/609267436.db2.gz SZPIUSNRKZIUSW-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268925 609267438 /nfs/dbraw/zinc/26/74/38/609267438.db2.gz SZPIUSNRKZIUSW-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM C[C@H](Nc1cccc(C(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662769 609278394 /nfs/dbraw/zinc/27/83/94/609278394.db2.gz RPSWNSMWKWNEJE-JTQLQIEISA-N -1 3 315.327 3.977 20 0 DHADHM C[C@H](Nc1cccc(C(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662769 609278397 /nfs/dbraw/zinc/27/83/97/609278397.db2.gz RPSWNSMWKWNEJE-JTQLQIEISA-N -1 3 315.327 3.977 20 0 DHADHM COc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cc1C ZINC000339908393 1013060420 /nfs/dbraw/zinc/06/04/20/1013060420.db2.gz CTBXIDXCLCWRRN-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccccc2C)c1 ZINC000824014263 946547774 /nfs/dbraw/zinc/54/77/74/946547774.db2.gz GVGBJRMUXGIQKR-GFCCVEGCSA-N -1 3 321.384 3.551 20 0 DHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccccc2C)c1 ZINC000824014263 946547781 /nfs/dbraw/zinc/54/77/81/946547781.db2.gz GVGBJRMUXGIQKR-GFCCVEGCSA-N -1 3 321.384 3.551 20 0 DHADHM CCC[C@H](C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000825225261 947126346 /nfs/dbraw/zinc/12/63/46/947126346.db2.gz QMANVFVZGZWUEA-NSHDSACASA-N -1 3 321.450 3.556 20 0 DHADHM CCC[C@H](C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000825225261 947126353 /nfs/dbraw/zinc/12/63/53/947126353.db2.gz QMANVFVZGZWUEA-NSHDSACASA-N -1 3 321.450 3.556 20 0 DHADHM CSc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826230347 947674153 /nfs/dbraw/zinc/67/41/53/947674153.db2.gz OQHVQPMNWYTNOS-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM C[C@@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001576166485 949577325 /nfs/dbraw/zinc/57/73/25/949577325.db2.gz MKMXPDXDLDSNNX-YPMHNXCESA-N -1 3 314.437 3.550 20 0 DHADHM C[C@@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001576166485 949577341 /nfs/dbraw/zinc/57/73/41/949577341.db2.gz MKMXPDXDLDSNNX-YPMHNXCESA-N -1 3 314.437 3.550 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC=C(c2ccccc2)C1 ZINC001595257204 949627277 /nfs/dbraw/zinc/62/72/77/949627277.db2.gz DMCVHFINAYIAMT-UHFFFAOYSA-N -1 3 323.392 3.553 20 0 DHADHM C[C@H]1CCCC[C@H]1CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576170111 949705464 /nfs/dbraw/zinc/70/54/64/949705464.db2.gz KPMHCNKYBTXFDD-JSGCOSHPSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@H]1CCCC[C@H]1CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576170111 949705479 /nfs/dbraw/zinc/70/54/79/949705479.db2.gz KPMHCNKYBTXFDD-JSGCOSHPSA-N -1 3 311.433 3.982 20 0 DHADHM CC(C)C[C@H](C)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001574142831 949884224 /nfs/dbraw/zinc/88/42/24/949884224.db2.gz CNXHSPMWUWGJQO-LBPRGKRZSA-N -1 3 317.437 3.891 20 0 DHADHM CC(C)C[C@H](C)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001574142831 949884248 /nfs/dbraw/zinc/88/42/48/949884248.db2.gz CNXHSPMWUWGJQO-LBPRGKRZSA-N -1 3 317.437 3.891 20 0 DHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccccc1OC(F)F ZINC000336852499 951130961 /nfs/dbraw/zinc/13/09/61/951130961.db2.gz RUIWGHKSHDDATB-ZDUSSCGKSA-N -1 3 313.344 3.507 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCc1cccc(Cl)c1Cl ZINC001589308528 953774945 /nfs/dbraw/zinc/77/49/45/953774945.db2.gz UXLVDQLGOSSGQN-ZYHUDNBSSA-N -1 3 316.228 3.721 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647376405 953957660 /nfs/dbraw/zinc/95/76/60/953957660.db2.gz RWCHALSHRZSDTK-ZDUSSCGKSA-N -1 3 314.385 3.589 20 0 DHADHM C[C@H]1CCN(CCc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC001589355328 954128979 /nfs/dbraw/zinc/12/89/79/954128979.db2.gz PJWJZRSYXSBQAY-CMPLNLGQSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@@H]1CN(CCc2c(Cl)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC001589400417 954417732 /nfs/dbraw/zinc/41/77/32/954417732.db2.gz PZAKIQIRGSIPJN-GHMZBOCLSA-N -1 3 316.228 3.579 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2cc(F)c(F)c(F)c2)c2ccccc21 ZINC001594899131 954603278 /nfs/dbraw/zinc/60/32/78/954603278.db2.gz AQQIJFZBPYSLOV-DOMZBBRYSA-N -1 3 321.298 3.507 20 0 DHADHM COc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1Cl ZINC000777968183 1032064687 /nfs/dbraw/zinc/06/46/87/1032064687.db2.gz TVDCTQIEIQNFCB-UHFFFAOYSA-N -1 3 311.809 3.662 20 0 DHADHM O=C([O-])[C@@H](NCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000037966586 957340527 /nfs/dbraw/zinc/34/05/27/957340527.db2.gz BBACUCWNPMWIOO-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM C[C@@](NCc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000053161652 957516842 /nfs/dbraw/zinc/51/68/42/957516842.db2.gz YKIIHWUXDIZQOH-INIZCTEOSA-N -1 3 307.752 3.569 20 0 DHADHM CN(CCc1ccccc1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000131617790 958752446 /nfs/dbraw/zinc/75/24/46/958752446.db2.gz DQEDZQBGQDIUKU-UHFFFAOYSA-N -1 3 309.818 3.774 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])c1 ZINC001594398216 958797328 /nfs/dbraw/zinc/79/73/28/958797328.db2.gz UJSYNGDKGVTOGU-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000339970280 1013183830 /nfs/dbraw/zinc/18/38/30/1013183830.db2.gz FUVQRVILXUAKLL-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CC(C)CCn1cccc1CNCc1ccccc1C(=O)[O-] ZINC001573518365 959118964 /nfs/dbraw/zinc/11/89/64/959118964.db2.gz WANBMIWNQOAKOM-UHFFFAOYSA-N -1 3 300.402 3.522 20 0 DHADHM C[C@H](C(=O)[O-])N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001588597592 959393845 /nfs/dbraw/zinc/39/38/45/959393845.db2.gz VPFKDOCHNMQLDQ-SECBINFHSA-N -1 3 302.201 3.646 20 0 DHADHM Cc1c(Cl)cccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594262612 959710180 /nfs/dbraw/zinc/71/01/80/959710180.db2.gz HREFGWRWCABULR-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM O=C([O-])CC1CC(N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC001334026609 961752417 /nfs/dbraw/zinc/75/24/17/961752417.db2.gz NWBGNRWDEJDTBK-UTVJUBTNSA-N -1 3 319.298 3.662 20 0 DHADHM CCc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000008210554 1013349488 /nfs/dbraw/zinc/34/94/88/1013349488.db2.gz RLRNHABJIABZAR-UHFFFAOYSA-N -1 3 305.334 3.547 20 0 DHADHM COC(=O)c1c(C(F)(F)F)csc1[N-]c1ncccc1F ZINC001209806214 1013377036 /nfs/dbraw/zinc/37/70/36/1013377036.db2.gz PHHOJPSBCZOIKE-UHFFFAOYSA-N -1 3 320.267 3.831 20 0 DHADHM C[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366740 1013380786 /nfs/dbraw/zinc/38/07/86/1013380786.db2.gz NAGOBQSPLNLSJY-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM CC1(C)[C@@H]2CN([C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000579119392 1013642302 /nfs/dbraw/zinc/64/23/02/1013642302.db2.gz OBMVEWHBGIGYFC-GBIKHYSHSA-N -1 3 314.212 3.707 20 0 DHADHM O=C(CCc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440990405 1013650568 /nfs/dbraw/zinc/65/05/68/1013650568.db2.gz NCQCIVYEFSYKNU-UHFFFAOYSA-N -1 3 309.287 3.982 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(C2CC2)on1 ZINC000440997756 1013650736 /nfs/dbraw/zinc/65/07/36/1013650736.db2.gz GVOCETGNURVWCM-UHFFFAOYSA-N -1 3 312.247 3.529 20 0 DHADHM Cc1cccc(C(=O)Nc2c(C)cccc2OC(F)F)c1[O-] ZINC000102258467 1013749803 /nfs/dbraw/zinc/74/98/03/1013749803.db2.gz SNGGCJSKLJNOHP-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CC[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785472 1013841084 /nfs/dbraw/zinc/84/10/84/1013841084.db2.gz UDNJMXWFNJEDSA-KOLCDFICSA-N -1 3 317.307 3.555 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000331196113 1013866240 /nfs/dbraw/zinc/86/62/40/1013866240.db2.gz LPYFMHNBLOYVAB-QEORTHHSSA-N -1 3 323.408 3.521 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291202569 1013894540 /nfs/dbraw/zinc/89/45/40/1013894540.db2.gz UWHFFGLSFQEPLZ-SFHVURJKSA-N -1 3 307.393 3.950 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](C2CCCCC2)C1 ZINC000618187662 1013977358 /nfs/dbraw/zinc/97/73/58/1013977358.db2.gz JSMKANHOEKAISH-HNNXBMFYSA-N -1 3 305.393 3.503 20 0 DHADHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000129477394 1014005004 /nfs/dbraw/zinc/00/50/04/1014005004.db2.gz AWOGYOQWWCQJJG-UHFFFAOYSA-N -1 3 324.355 3.878 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000129481754 1014005217 /nfs/dbraw/zinc/00/52/17/1014005217.db2.gz XJXIJQOAYSVEML-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CC(C)CCc1nc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000580085285 1014022628 /nfs/dbraw/zinc/02/26/28/1014022628.db2.gz QPJFIQHSXKAZGQ-QGZVFWFLSA-N -1 3 324.490 3.664 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN1CCC2(CCCCC2)CC1 ZINC000321104964 970743952 /nfs/dbraw/zinc/74/39/52/970743952.db2.gz NDGULFQCUGEGIH-UHFFFAOYSA-N -1 3 317.429 3.940 20 0 DHADHM Cc1nc(SCc2cc(=O)oc3c(C)c([O-])ccc23)oc1C ZINC000047558592 1014070065 /nfs/dbraw/zinc/07/00/65/1014070065.db2.gz WHKZZCXFPOSXPY-UHFFFAOYSA-N -1 3 317.366 3.704 20 0 DHADHM O=S1(=O)C=Cc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210854589 1014072194 /nfs/dbraw/zinc/07/21/94/1014072194.db2.gz GLVXYFOOHPTJBV-UHFFFAOYSA-N -1 3 307.758 3.547 20 0 DHADHM O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cccc([O-])c1F ZINC000255370638 1014083930 /nfs/dbraw/zinc/08/39/30/1014083930.db2.gz CIRWNXHBCUCZLU-TWGQIWQCSA-N -1 3 323.270 3.785 20 0 DHADHM C[C@H](CCNC(=O)c1c[n-]c2ccccc2c1=O)CC(C)(C)C ZINC000189479924 1014190021 /nfs/dbraw/zinc/19/00/21/1014190021.db2.gz VROUZAUQEMWPKK-CYBMUJFWSA-N -1 3 314.429 3.720 20 0 DHADHM CCc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001603975444 974467913 /nfs/dbraw/zinc/46/79/13/974467913.db2.gz LQLKMXLGPQYMLR-KRWDZBQOSA-N -1 3 311.381 3.561 20 0 DHADHM CCCCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(C)C ZINC000564804588 974554251 /nfs/dbraw/zinc/55/42/51/974554251.db2.gz YQFPAEDNGIRQCX-JKSUJKDBSA-N -1 3 323.433 3.702 20 0 DHADHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000565112020 974573995 /nfs/dbraw/zinc/57/39/95/974573995.db2.gz OVPZNQMUSJYJNX-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM O=C([O-])CC1(CN(Cc2ccco2)Cc2cccs2)CC1 ZINC000565427545 974581800 /nfs/dbraw/zinc/58/18/00/974581800.db2.gz RHNHMYXGQNDZFP-UHFFFAOYSA-N -1 3 305.399 3.598 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccsc2)CC1 ZINC000566360762 974608708 /nfs/dbraw/zinc/60/87/08/974608708.db2.gz AUSGJCUPJFAQSF-UHFFFAOYSA-N -1 3 305.399 3.727 20 0 DHADHM CC1(C)[C@@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000568064309 974658370 /nfs/dbraw/zinc/65/83/70/974658370.db2.gz AJGARWDHDIVZAL-CYBMUJFWSA-N -1 3 316.426 3.609 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC000571097437 974723712 /nfs/dbraw/zinc/72/37/12/974723712.db2.gz VYIBYRFWMAFFCQ-SNVBAGLBSA-N -1 3 307.337 3.609 20 0 DHADHM CC1(C)CN(Cc2ccsc2C(=O)[O-])CC[C@H]1C(F)(F)F ZINC000573008868 974758618 /nfs/dbraw/zinc/75/86/18/974758618.db2.gz FEURKKZAJJHMMP-SNVBAGLBSA-N -1 3 321.364 3.857 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2ccsc2)CC1 ZINC000578137514 974848405 /nfs/dbraw/zinc/84/84/05/974848405.db2.gz KWYVPUMRAZPWHD-UHFFFAOYSA-N -1 3 319.426 3.981 20 0 DHADHM CC(C)c1[nH]c(CNCc2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC001591917979 976379618 /nfs/dbraw/zinc/37/96/18/976379618.db2.gz IHDTUYOVTHLRLE-UHFFFAOYSA-N -1 3 311.385 3.607 20 0 DHADHM CC(C)c1[nH]c(CNCc2ccc3ncccc3c2)cc1C(=O)[O-] ZINC001591918013 976381392 /nfs/dbraw/zinc/38/13/92/976381392.db2.gz KCOFFOASIRRNMR-UHFFFAOYSA-N -1 3 323.396 3.674 20 0 DHADHM CC(C)Sc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1 ZINC000581017167 1014518391 /nfs/dbraw/zinc/51/83/91/1014518391.db2.gz MUNODNSJEJGSGB-UHFFFAOYSA-N -1 3 307.459 3.874 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(CC)cc1 ZINC000830239495 979015110 /nfs/dbraw/zinc/01/51/10/979015110.db2.gz YGIIJNQULKRFIH-GFCCVEGCSA-N -1 3 301.386 3.953 20 0 DHADHM C[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)Sc1ccccc1 ZINC001592706017 979172986 /nfs/dbraw/zinc/17/29/86/979172986.db2.gz IKIXHKSKRQVAQU-RYUDHWBXSA-N -1 3 305.399 3.809 20 0 DHADHM C[C@H](CN[C@H](C)c1cc(C(=O)[O-])co1)Sc1ccccc1 ZINC001592706019 979173044 /nfs/dbraw/zinc/17/30/44/979173044.db2.gz IKIXHKSKRQVAQU-VXGBXAGGSA-N -1 3 305.399 3.809 20 0 DHADHM C[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)Sc1ccccc1 ZINC001592706013 979173174 /nfs/dbraw/zinc/17/31/74/979173174.db2.gz IKIXHKSKRQVAQU-NEPJUHHUSA-N -1 3 305.399 3.809 20 0 DHADHM Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cnc1Cl ZINC000841805519 979314422 /nfs/dbraw/zinc/31/44/22/979314422.db2.gz ONMODTBFIXGIRR-HNNXBMFYSA-N -1 3 318.804 3.739 20 0 DHADHM C[C@H](COCC1CCCCC1)N[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001592776012 979402019 /nfs/dbraw/zinc/40/20/19/979402019.db2.gz OAFJNZDESVMTMU-CHWSQXEVSA-N -1 3 309.406 3.614 20 0 DHADHM CC(F)(F)CCNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001592939541 980007877 /nfs/dbraw/zinc/00/78/77/980007877.db2.gz HPUOXQKSJNSNTK-UHFFFAOYSA-N -1 3 309.312 3.780 20 0 DHADHM CC(C)(C)c1cnc(CNCCCCC2(C(=O)[O-])CCC2)s1 ZINC000900080425 980247821 /nfs/dbraw/zinc/24/78/21/980247821.db2.gz DMZAYXDQFYVRFW-UHFFFAOYSA-N -1 3 324.490 3.955 20 0 DHADHM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC000901516786 980333892 /nfs/dbraw/zinc/33/38/92/980333892.db2.gz RDWGUDBDWUEQMW-GOSISDBHSA-N -1 3 323.396 3.533 20 0 DHADHM CC[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(C(=O)[O-])cc1 ZINC001595284164 980353569 /nfs/dbraw/zinc/35/35/69/980353569.db2.gz QBCRATKUUJIPOJ-SJORKVTESA-N -1 3 311.381 3.819 20 0 DHADHM CC[C@@](NCc1cncc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304216 980438180 /nfs/dbraw/zinc/43/81/80/980438180.db2.gz BNPPQVSSNUTSSI-KRWDZBQOSA-N -1 3 318.804 3.523 20 0 DHADHM CC[C@H](NCc1ccsc1C(=O)[O-])c1ccccc1OC ZINC001595305820 980451586 /nfs/dbraw/zinc/45/15/86/980451586.db2.gz XTAVFCGMOFVHPC-ZDUSSCGKSA-N -1 3 305.399 3.696 20 0 DHADHM Cc1cc(C)c(/C=C/CN2CCSC[C@@H]2CC(=O)[O-])c(C)c1 ZINC000901981818 980660839 /nfs/dbraw/zinc/66/08/39/980660839.db2.gz JAQWANGOUUUBRX-APHBUQMISA-N -1 3 319.470 3.517 20 0 DHADHM C[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000902015446 980693171 /nfs/dbraw/zinc/69/31/71/980693171.db2.gz IYNGFRZKDVZQAN-TVQRCGJNSA-N -1 3 319.298 3.530 20 0 DHADHM O=C([O-])c1cc(CN[C@@H]2CCc3c2cccc3Cl)cs1 ZINC000902173340 980767516 /nfs/dbraw/zinc/76/75/16/980767516.db2.gz HPOKIZODHFALFE-CYBMUJFWSA-N -1 3 307.802 3.877 20 0 DHADHM CC[C@@H](c1ccncc1)N(C)Cc1cc(C(=O)[O-])sc1C ZINC001595363787 980786633 /nfs/dbraw/zinc/78/66/33/980786633.db2.gz IFPJANQXHAXWGC-AWEZNQCLSA-N -1 3 304.415 3.733 20 0 DHADHM CC[C@H](c1ccncc1)N(C)Cc1cc(C(=O)[O-])sc1C ZINC001595363788 980786909 /nfs/dbraw/zinc/78/69/09/980786909.db2.gz IFPJANQXHAXWGC-CQSZACIVSA-N -1 3 304.415 3.733 20 0 DHADHM CCc1nc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cs1 ZINC000902233349 980793966 /nfs/dbraw/zinc/79/39/66/980793966.db2.gz JLHNCXRRDOWYTF-CHWSQXEVSA-N -1 3 310.463 3.609 20 0 DHADHM CCc1oc(CNCCc2cc3ccccc3o2)cc1C(=O)[O-] ZINC000902295146 980822338 /nfs/dbraw/zinc/82/23/38/980822338.db2.gz MVKXKCRXASQHLD-UHFFFAOYSA-N -1 3 313.353 3.619 20 0 DHADHM O=C([O-])/C=C/c1ccc(CN2CCC(c3ccsc3)CC2)o1 ZINC000902325566 980833570 /nfs/dbraw/zinc/83/35/70/980833570.db2.gz LOFZCNIETAALLZ-ONEGZZNKSA-N -1 3 317.410 3.819 20 0 DHADHM Cc1oc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000902347081 980842967 /nfs/dbraw/zinc/84/29/67/980842967.db2.gz BWARUGYSCFIBSZ-GOSISDBHSA-N -1 3 317.360 3.589 20 0 DHADHM COc1cccc(C2(NCc3cc(C(=O)[O-])cs3)CCC2)c1 ZINC000902373666 980860466 /nfs/dbraw/zinc/86/04/66/980860466.db2.gz SOGWLAKJSNOLLL-UHFFFAOYSA-N -1 3 317.410 3.624 20 0 DHADHM CCC1(CC)CN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CCS1 ZINC001595376306 980904910 /nfs/dbraw/zinc/90/49/10/980904910.db2.gz TVMWXBDAQKTBNW-UHFFFAOYSA-N -1 3 324.490 3.944 20 0 DHADHM O=C([O-])COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000902509939 980914573 /nfs/dbraw/zinc/91/45/73/980914573.db2.gz MAWWDSVYZVHSCK-MRXNPFEDSA-N -1 3 317.410 3.549 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902530580 980923930 /nfs/dbraw/zinc/92/39/30/980923930.db2.gz MITDIPITOQUXEB-FYJFLYSWSA-N -1 3 317.307 3.540 20 0 DHADHM CC[C@H](C)[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000903594087 980978065 /nfs/dbraw/zinc/97/80/65/980978065.db2.gz CPJOSLYNNSSWOJ-XPTSAGLGSA-N -1 3 316.228 3.851 20 0 DHADHM O=C([O-])c1ccc(Cl)c(CN2CCC3(CCCCO3)CC2)c1 ZINC000903620937 980996969 /nfs/dbraw/zinc/99/69/69/980996969.db2.gz JKQIWJYIJLJVNB-UHFFFAOYSA-N -1 3 323.820 3.573 20 0 DHADHM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC000903912151 981035235 /nfs/dbraw/zinc/03/52/35/981035235.db2.gz ZWHGOUZQPOSHBO-NSHDSACASA-N -1 3 320.339 3.553 20 0 DHADHM C[C@H](c1ccccc1F)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923941 981041053 /nfs/dbraw/zinc/04/10/53/981041053.db2.gz FAVWLQXPWRXHMI-GHMZBOCLSA-N -1 3 320.389 3.531 20 0 DHADHM CC1(C)C[C@H](c2ccccc2)CN1Cc1nc(C(=O)[O-])cs1 ZINC000903935231 981055228 /nfs/dbraw/zinc/05/52/28/981055228.db2.gz VFTAJUXDNINTJY-ZDUSSCGKSA-N -1 3 316.426 3.609 20 0 DHADHM CC[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595441195 981078729 /nfs/dbraw/zinc/07/87/29/981078729.db2.gz ODTJTCGERROKRT-WBMJQRKESA-N -1 3 314.385 3.708 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(CC3CCCCC3)CC2)n1 ZINC000905778287 981149349 /nfs/dbraw/zinc/14/93/49/981149349.db2.gz VXMGKVKOXQETSA-UHFFFAOYSA-N -1 3 316.445 3.962 20 0 DHADHM CCC[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC001595600166 981577562 /nfs/dbraw/zinc/57/75/62/981577562.db2.gz HFNRCXSFDMYGDI-MRXNPFEDSA-N -1 3 319.426 3.843 20 0 DHADHM CC(C)(C)OCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000933208903 1014751174 /nfs/dbraw/zinc/75/11/74/1014751174.db2.gz BDSAKOYXHRPFBB-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000933208903 1014751183 /nfs/dbraw/zinc/75/11/83/1014751183.db2.gz BDSAKOYXHRPFBB-OAHLLOKOSA-N -1 3 322.405 3.581 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCC3(CC3)C2)c([O-])c1 ZINC000191043412 1014768163 /nfs/dbraw/zinc/76/81/63/1014768163.db2.gz IQTGBLAOKQUTSO-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM CCCCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC001595771086 982517875 /nfs/dbraw/zinc/51/78/75/982517875.db2.gz UHVLQNAIXZHNRT-JKSUJKDBSA-N -1 3 323.408 3.597 20 0 DHADHM CCCN(Cc1c[nH]c(C(=O)[O-])c1)[C@H](C)c1ccccc1OC ZINC001595885689 982907333 /nfs/dbraw/zinc/90/73/33/982907333.db2.gz BDPPVELCCKWPRZ-CYBMUJFWSA-N -1 3 316.401 3.695 20 0 DHADHM CCCN(Cc1c[nH]c(C(=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC001595885690 982907531 /nfs/dbraw/zinc/90/75/31/982907531.db2.gz BDPPVELCCKWPRZ-ZDUSSCGKSA-N -1 3 316.401 3.695 20 0 DHADHM O=C(CCSc1cccc(Cl)c1)Nc1ncccc1[O-] ZINC000341093082 1014903720 /nfs/dbraw/zinc/90/37/20/1014903720.db2.gz FTVKYKABCBLMBN-UHFFFAOYSA-N -1 3 308.790 3.562 20 0 DHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000129147019 1014925306 /nfs/dbraw/zinc/92/53/06/1014925306.db2.gz UBURDGUPLYEOPO-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM CCN(CCC(C)(C)C(=O)[O-])Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001596321477 983755478 /nfs/dbraw/zinc/75/54/78/983755478.db2.gz ZXXQXCRZRJBAGJ-LBPRGKRZSA-N -1 3 324.490 3.591 20 0 DHADHM C[C@H](Oc1ccnc(=S)[n-]1)c1cccc(C(F)(F)F)c1 ZINC001226937910 1015048596 /nfs/dbraw/zinc/04/85/96/1015048596.db2.gz UDQVRIWZMAFGLR-QMMMGPOBSA-N -1 3 300.305 3.924 20 0 DHADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029048032 1015077809 /nfs/dbraw/zinc/07/78/09/1015077809.db2.gz ZAYHDYQAIYOMFS-UHFFFAOYSA-N -1 3 305.399 3.522 20 0 DHADHM CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC001596833752 985471090 /nfs/dbraw/zinc/47/10/90/985471090.db2.gz QCTQRQDLYUMGGU-DAXOMENPSA-N -1 3 321.417 3.756 20 0 DHADHM CCCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656763796 1015135191 /nfs/dbraw/zinc/13/51/91/1015135191.db2.gz IBYGNNDFHIAYPS-SOUVJXGZSA-N -1 3 322.474 3.561 20 0 DHADHM [O-]c1ccc(CNC2(c3c(F)cccc3F)CCC2)cc1F ZINC000895673673 1015249733 /nfs/dbraw/zinc/24/97/33/1015249733.db2.gz QQAZHEMXWZWLLX-UHFFFAOYSA-N -1 3 307.315 3.979 20 0 DHADHM CC(C)(C)[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001589732125 987955057 /nfs/dbraw/zinc/95/50/57/987955057.db2.gz GCPWDECQUQIHCX-ZDUSSCGKSA-N -1 3 315.417 3.519 20 0 DHADHM CSc1cc(C)ccc1CNCc1ccc(C(=O)[O-])c(F)c1 ZINC001599808993 988301759 /nfs/dbraw/zinc/30/17/59/988301759.db2.gz VJCOEGAFYVEQFC-UHFFFAOYSA-N -1 3 319.401 3.844 20 0 DHADHM [O-]c1cccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000896224397 1015505756 /nfs/dbraw/zinc/50/57/56/1015505756.db2.gz GIKPKEHTODBJCO-GFCCVEGCSA-N -1 3 323.717 3.912 20 0 DHADHM CC(C)(CCN1CC=C(c2c(F)cccc2F)CC1)C(=O)[O-] ZINC001590670866 990375933 /nfs/dbraw/zinc/37/59/33/990375933.db2.gz MUIBQTJIBLWZRQ-UHFFFAOYSA-N -1 3 309.356 3.555 20 0 DHADHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1Cl ZINC000581952988 1015583612 /nfs/dbraw/zinc/58/36/12/1015583612.db2.gz BFLMCQACTJAFBE-SMDDNHRTSA-N -1 3 311.809 3.970 20 0 DHADHM COc1cccc([C@H](NCc2ccc(Cl)cc2C)C(=O)[O-])c1 ZINC001599688346 991024945 /nfs/dbraw/zinc/02/49/45/991024945.db2.gz VXSDLZTXOLEXGI-INIZCTEOSA-N -1 3 319.788 3.573 20 0 DHADHM CC(C)[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001591024787 991319359 /nfs/dbraw/zinc/31/93/59/991319359.db2.gz WBFJICVAIKWAOT-IRXDYDNUSA-N -1 3 301.361 3.938 20 0 DHADHM COc1ccc(/C=C(/C)C(=O)Nc2cccc([O-])c2F)cc1F ZINC000588447495 1015633146 /nfs/dbraw/zinc/63/31/46/1015633146.db2.gz YZCZBUXBTDYGGG-NTMALXAHSA-N -1 3 319.307 3.721 20 0 DHADHM CC(C)N(Cc1csc(C(=O)[O-])c1)Cc1cccc(F)c1 ZINC001591600324 992829958 /nfs/dbraw/zinc/82/99/58/992829958.db2.gz JZQKHFZXZXLYHT-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM CN(Cc1ncc(-c2cccc(Cl)c2)o1)C(C)(C)CC(=O)[O-] ZINC001598538316 992868030 /nfs/dbraw/zinc/86/80/30/992868030.db2.gz OYMBJWDXEKVEFB-UHFFFAOYSA-N -1 3 322.792 3.680 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000281021794 1015820603 /nfs/dbraw/zinc/82/06/03/1015820603.db2.gz NRXXLVFVYRCJFU-NHYWBVRUSA-N -1 3 314.212 3.680 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](CC)c2nc(C)cs2)c1[O-] ZINC000535795963 1015828381 /nfs/dbraw/zinc/82/83/81/1015828381.db2.gz DSCZEHPLFJQTJT-ZDUSSCGKSA-N -1 3 304.415 3.601 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cccnc1 ZINC001593195082 994143902 /nfs/dbraw/zinc/14/39/02/994143902.db2.gz PNEXKEQIYSJKFZ-YGRLFVJLSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001593199426 994178705 /nfs/dbraw/zinc/17/87/05/994178705.db2.gz XPPCYTQTJKVDLZ-CHWSQXEVSA-N -1 3 317.360 3.701 20 0 DHADHM C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593210827 994255341 /nfs/dbraw/zinc/25/53/41/994255341.db2.gz SATXILYYULFQKE-MEBBXXQBSA-N -1 3 302.399 3.643 20 0 DHADHM C[C@H](NCC1(c2ccccc2)CCC1)c1ncc(C(=O)[O-])s1 ZINC001593251932 994501805 /nfs/dbraw/zinc/50/18/05/994501805.db2.gz MDKBQTUZNVDZKH-LBPRGKRZSA-N -1 3 316.426 3.614 20 0 DHADHM C[C@H](NC/C=C\c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593257783 994535318 /nfs/dbraw/zinc/53/53/18/994535318.db2.gz TVIVKVUFDHIAMT-XMELGKRDSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@@H](NCCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593259905 994543684 /nfs/dbraw/zinc/54/36/84/994543684.db2.gz BIWBPTCHZXNTLH-GFCCVEGCSA-N -1 3 318.442 3.860 20 0 DHADHM C[C@@](NCc1ccc(Cl)s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298088 994710151 /nfs/dbraw/zinc/71/01/51/994710151.db2.gz DNMPMGVSBOVSLG-AWEZNQCLSA-N -1 3 313.781 3.630 20 0 DHADHM C[C@@H](NCc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593303768 994737555 /nfs/dbraw/zinc/73/75/55/994737555.db2.gz FRAYTSCDFLDUJL-GFCCVEGCSA-N -1 3 319.788 3.654 20 0 DHADHM COc1cccc([C@H]2C[C@@H](C)CN2Cc2occc2C(=O)[O-])c1 ZINC001599668453 994769325 /nfs/dbraw/zinc/76/93/25/994769325.db2.gz YJPILOYWVBVZJO-MLGOLLRUSA-N -1 3 315.369 3.570 20 0 DHADHM CC(C)(C)C(F)(F)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000620614245 1015943172 /nfs/dbraw/zinc/94/31/72/1015943172.db2.gz JLQSOGXDSDGREH-UHFFFAOYSA-N -1 3 317.351 3.652 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588481708 1015964208 /nfs/dbraw/zinc/96/42/08/1015964208.db2.gz ZZBDFIQYJHDBLB-KTKRTIGZSA-N -1 3 323.801 3.761 20 0 DHADHM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2F)Cc2ccccc21 ZINC001593940089 996942840 /nfs/dbraw/zinc/94/28/40/996942840.db2.gz DUZKLUSDJPTIEH-KRWDZBQOSA-N -1 3 313.372 3.745 20 0 DHADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2C)cc1F ZINC001599512291 997318498 /nfs/dbraw/zinc/31/84/98/997318498.db2.gz ZJRIXVMFTRIHNS-YVEFUNNKSA-N -1 3 317.360 3.619 20 0 DHADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@H](C)c1cccnc1 ZINC000277365077 1016245279 /nfs/dbraw/zinc/24/52/79/1016245279.db2.gz GCHBMNZCXKNCAI-LLVKDONJSA-N -1 3 304.777 3.664 20 0 DHADHM C[C@H]1CCC(C)(C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594295817 999139010 /nfs/dbraw/zinc/13/90/10/999139010.db2.gz IAWJASMGTCTNEQ-LBPRGKRZSA-N -1 3 314.385 3.803 20 0 DHADHM CC=C(C=CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)CC ZINC000152009882 1016314863 /nfs/dbraw/zinc/31/48/63/1016314863.db2.gz BQIWCYDAUAPUBY-MUWVBHQMSA-N -1 3 323.396 3.596 20 0 DHADHM CC(C)(C)[C@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622506669 1016439651 /nfs/dbraw/zinc/43/96/51/1016439651.db2.gz QVPGRGLDHZCRKQ-NSHDSACASA-N -1 3 315.335 3.919 20 0 DHADHM O=C(Nc1cccc2c1CCO2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622572356 1016473584 /nfs/dbraw/zinc/47/35/84/1016473584.db2.gz FNYFPCMRTFIHEE-UHFFFAOYSA-N -1 3 323.270 3.598 20 0 DHADHM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000622597237 1016486532 /nfs/dbraw/zinc/48/65/32/1016486532.db2.gz AEDOIASSDNNBIE-UHFFFAOYSA-N -1 3 311.715 3.567 20 0 DHADHM CN1CCC=C(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])C1 ZINC001175582351 1035030226 /nfs/dbraw/zinc/03/02/26/1035030226.db2.gz NZLOOWIPBBAHRC-UHFFFAOYSA-N -1 3 307.608 3.984 20 0 DHADHM CCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1Cl ZINC000622597655 1016488852 /nfs/dbraw/zinc/48/88/52/1016488852.db2.gz UYRAWZIZTMSMBM-UHFFFAOYSA-N -1 3 307.752 3.928 20 0 DHADHM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccccc2[O-])CC1 ZINC000622665833 1016503062 /nfs/dbraw/zinc/50/30/62/1016503062.db2.gz ZCUOEMXHYPOFLS-UHFFFAOYSA-N -1 3 313.372 3.772 20 0 DHADHM Cc1cc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)c(C)s1 ZINC000049507349 1016835161 /nfs/dbraw/zinc/83/51/61/1016835161.db2.gz YYVDAHZDFFMBPV-SECBINFHSA-N -1 3 319.455 3.926 20 0 DHADHM Cc1c(Br)cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174899519 1016845331 /nfs/dbraw/zinc/84/53/31/1016845331.db2.gz WNPOAYKCXKHRQA-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(=O)c1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1[O-] ZINC000665580088 1016917244 /nfs/dbraw/zinc/91/72/44/1016917244.db2.gz LNSKDXFJOUSUFA-LBPRGKRZSA-N -1 3 309.365 3.576 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000192725677 1017000525 /nfs/dbraw/zinc/00/05/25/1017000525.db2.gz MZGCGVIABGZEEZ-MNOVXSKESA-N -1 3 323.343 3.504 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccccc1COc1ccccc1 ZINC000192928796 1017027964 /nfs/dbraw/zinc/02/79/64/1017027964.db2.gz QHBWGGMRSNOHPS-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM CC(C)(C)O[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000126158338 1032199984 /nfs/dbraw/zinc/19/99/84/1032199984.db2.gz RCRWPAZLYRDJGO-UHFFFAOYSA-N -1 3 306.431 3.855 20 0 DHADHM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)cc1[O-] ZINC001146964573 1032265320 /nfs/dbraw/zinc/26/53/20/1032265320.db2.gz WSOJKWCESUYTDH-HNNXBMFYSA-N -1 3 301.361 3.591 20 0 DHADHM CCc1cccc(C(=O)N[C@H](c2ccccn2)C2CCC2)c1[O-] ZINC001147923541 1032353155 /nfs/dbraw/zinc/35/31/55/1032353155.db2.gz FDZUXNQBSNSYOY-KRWDZBQOSA-N -1 3 310.397 3.621 20 0 DHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)[N-]OCC2CCC2)cc1 ZINC001148107276 1032362875 /nfs/dbraw/zinc/36/28/75/1032362875.db2.gz OWFKNBJTXZJYCF-KRWDZBQOSA-N -1 3 319.445 3.646 20 0 DHADHM COc1cccc(C(=O)Nc2cc(C)nc3sccc32)c1[O-] ZINC001148197561 1032369269 /nfs/dbraw/zinc/36/92/69/1032369269.db2.gz QODMQVCXPRHURS-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3ncnc(Cl)c3c2)c([O-])c1 ZINC001148505918 1032409561 /nfs/dbraw/zinc/40/95/61/1032409561.db2.gz KMWIQPDOKGUDJP-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC001148492237 1032409949 /nfs/dbraw/zinc/40/99/49/1032409949.db2.gz JKITVQPYKWARJW-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc(C(=O)NC(=N)C23CC4CC(CC(C4)C2)C3)c([O-])c1 ZINC001148506155 1032411612 /nfs/dbraw/zinc/41/16/12/1032411612.db2.gz ULBHUFLKSFAJLL-UHFFFAOYSA-N -1 3 312.413 3.624 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc2c(c1)CCCC2 ZINC000235523559 1032415319 /nfs/dbraw/zinc/41/53/19/1032415319.db2.gz IKHNZHAMJGNGLB-VIFPVBQESA-N -1 3 303.299 3.643 20 0 DHADHM CC(=O)c1cc(C(=O)N2CCC[C@H]2C2CCCCC2)ccc1[O-] ZINC001148663341 1032431563 /nfs/dbraw/zinc/43/15/63/1032431563.db2.gz YPCVTZWKIWOYQN-KRWDZBQOSA-N -1 3 315.413 3.780 20 0 DHADHM CC[C@@H](C)C1CCC(NC(=O)c2ccc([O-])c(C(C)=O)c2)CC1 ZINC001148671362 1032432192 /nfs/dbraw/zinc/43/21/92/1032432192.db2.gz SSQIBMRPYGWXLK-XEBKBJJBSA-N -1 3 317.429 3.930 20 0 DHADHM Cc1ccc(C(=O)NCC2CCc3ccccc3CC2)c([O-])c1 ZINC001148785190 1032440660 /nfs/dbraw/zinc/44/06/60/1032440660.db2.gz AZPMHXSNULHFIE-UHFFFAOYSA-N -1 3 309.409 3.626 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)cc1[O-] ZINC000579684654 1011920076 /nfs/dbraw/zinc/92/00/76/1011920076.db2.gz WHQZDWGAKSXSBZ-KRWDZBQOSA-N -1 3 323.392 3.533 20 0 DHADHM Cc1ccsc1CN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000579688128 1011925995 /nfs/dbraw/zinc/92/59/95/1011925995.db2.gz ZNPDNBJWRGLWKD-UHFFFAOYSA-N -1 3 321.417 3.883 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCC[C@@H]4C[C@@H]43)nc2)n1 ZINC000664386080 1012008959 /nfs/dbraw/zinc/00/89/59/1012008959.db2.gz LNXGQXOFYPUFEN-WWGRRREGSA-N -1 3 324.428 3.655 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c([O-])c1 ZINC000063702004 1012087649 /nfs/dbraw/zinc/08/76/49/1012087649.db2.gz NOGMAGFDXCWMHZ-UHFFFAOYSA-N -1 3 324.424 3.621 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1F ZINC000123082346 1032608963 /nfs/dbraw/zinc/60/89/63/1032608963.db2.gz GDAKPBKURHFNBE-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1F ZINC000011809040 1032618749 /nfs/dbraw/zinc/61/87/49/1032618749.db2.gz JKNWOORGGGDDND-UHFFFAOYSA-N -1 3 316.115 3.500 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007409082 1012362709 /nfs/dbraw/zinc/36/27/09/1012362709.db2.gz JCXNMQIVBYMMFE-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM O=[S@](Cc1csc(Br)c1)c1ccc([O-])cc1 ZINC000108083380 1012367013 /nfs/dbraw/zinc/36/70/13/1012367013.db2.gz CDUUSFLATFIWKC-INIZCTEOSA-N -1 3 317.229 3.524 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000109036861 1012406501 /nfs/dbraw/zinc/40/65/01/1012406501.db2.gz QDHACTOMEUOGBH-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM [O-]c1coc2cc(OCc3cccc(C(F)(F)F)c3)ccc12 ZINC000387883450 1012470592 /nfs/dbraw/zinc/47/05/92/1012470592.db2.gz POQZCKMUORCWES-UHFFFAOYSA-N -1 3 308.255 3.860 20 0 DHADHM Cc1ccc(CN(Cc2ccco2)CC2(CC(=O)[O-])CC2)s1 ZINC000514865797 1012474579 /nfs/dbraw/zinc/47/45/79/1012474579.db2.gz CGOUZOZPQUOMTD-UHFFFAOYSA-N -1 3 319.426 3.907 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000537687686 1032643541 /nfs/dbraw/zinc/64/35/41/1032643541.db2.gz POXMOYFQXBYXFD-INIZCTEOSA-N -1 3 313.372 3.769 20 0 DHADHM O=C([O-])[C@H](CNCc1cc(Cl)sc1Cl)CC1CC1 ZINC000649510436 1012972917 /nfs/dbraw/zinc/97/29/17/1012972917.db2.gz DCMBKLYGWUBYNA-VIFPVBQESA-N -1 3 308.230 3.645 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007053017 1013009654 /nfs/dbraw/zinc/00/96/54/1013009654.db2.gz OBBBWBAXCASQKP-ZHACJKMWSA-N -1 3 323.801 3.761 20 0 DHADHM Cc1csc([C@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)n1 ZINC000277771640 1017116250 /nfs/dbraw/zinc/11/62/50/1017116250.db2.gz SWNGQXIRYGLHKO-CYBMUJFWSA-N -1 3 322.817 3.692 20 0 DHADHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1[O-] ZINC000339007052 1032680523 /nfs/dbraw/zinc/68/05/23/1032680523.db2.gz JYRTXMYOQDGTBC-UHFFFAOYSA-N -1 3 300.745 3.708 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](C2CCC2)C1 ZINC000665683630 1017288646 /nfs/dbraw/zinc/28/86/46/1017288646.db2.gz BKIUXJLURMHGJB-HNNXBMFYSA-N -1 3 305.393 3.503 20 0 DHADHM CCc1cc(NCc2ccc([O-])c(F)c2)nc(-c2ccccn2)n1 ZINC000078020133 1017502786 /nfs/dbraw/zinc/50/27/86/1017502786.db2.gz RIDGNFYONWMWSA-UHFFFAOYSA-N -1 3 324.359 3.558 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2cc(Cl)ncc2Cl)n1 ZINC000874694364 1032707044 /nfs/dbraw/zinc/70/70/44/1032707044.db2.gz NUUPTTGZEQSKIO-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM [O-]c1c(F)cc(Nc2snnc2-c2ccccc2)cc1F ZINC001213373268 1017581698 /nfs/dbraw/zinc/58/16/98/1017581698.db2.gz AVSKDGBELJUZNR-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM C[C@H](CCCc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000181446802 1017751984 /nfs/dbraw/zinc/75/19/84/1017751984.db2.gz NSHHOJXQNFLITJ-CQSZACIVSA-N -1 3 315.388 3.807 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCc1nc2ccccc2n1C(C)C ZINC000625718559 1017792524 /nfs/dbraw/zinc/79/25/24/1017792524.db2.gz STAJBAJMKLGAIH-UHFFFAOYSA-N -1 3 323.396 3.561 20 0 DHADHM c1cc(-c2ccccc2)oc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000181791139 1017811083 /nfs/dbraw/zinc/81/10/83/1017811083.db2.gz VHKRBXWUDUSSTG-OAHLLOKOSA-N -1 3 311.341 3.793 20 0 DHADHM Cc1cc2cc(C[N-]c3nnc([C@@H]4CCCO4)o3)oc2cc1C ZINC000181798822 1017815101 /nfs/dbraw/zinc/81/51/01/1017815101.db2.gz BAWJSZSSPMAXMG-AWEZNQCLSA-N -1 3 313.357 3.896 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]c2ncccc12 ZINC000342950558 1017880307 /nfs/dbraw/zinc/88/03/07/1017880307.db2.gz IGZQCDHSNIOWRI-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(C)o1 ZINC000182812052 1017957264 /nfs/dbraw/zinc/95/72/64/1017957264.db2.gz ONXWDLMVIKQIBX-UHFFFAOYSA-N -1 3 321.732 3.629 20 0 DHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000172518463 1018062074 /nfs/dbraw/zinc/06/20/74/1018062074.db2.gz AFVAXUHOXNGTRN-INIZCTEOSA-N -1 3 316.376 3.790 20 0 DHADHM C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000446261402 1018095123 /nfs/dbraw/zinc/09/51/23/1018095123.db2.gz ATMRODCDLAFGPC-LBPRGKRZSA-N -1 3 308.397 3.689 20 0 DHADHM CC(C)(C)[C@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2F)CS1 ZINC000901757029 1018104882 /nfs/dbraw/zinc/10/48/82/1018104882.db2.gz FDDAFSPUKNNQNW-GXTWGEPZSA-N -1 3 311.422 3.534 20 0 DHADHM CCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154971263 1018230933 /nfs/dbraw/zinc/23/09/33/1018230933.db2.gz GIBKWMCSLKLRFQ-UHFFFAOYSA-N -1 3 324.355 3.790 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cnc3ccc(F)cc3c2)c1[O-] ZINC000561377465 1018247262 /nfs/dbraw/zinc/24/72/62/1018247262.db2.gz ZHQWMWBASKQQBS-UHFFFAOYSA-N -1 3 324.311 3.534 20 0 DHADHM CN(CCc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000381659986 1018269525 /nfs/dbraw/zinc/26/95/25/1018269525.db2.gz JNUXOBRLTMZVLZ-UHFFFAOYSA-N -1 3 309.818 3.774 20 0 DHADHM CSc1cc(Br)ccc1C=Cc1nccc(=O)[n-]1 ZINC000764433148 1018280919 /nfs/dbraw/zinc/28/09/19/1018280919.db2.gz CSALRJBQJDSITB-HYXAFXHYSA-N -1 3 323.215 3.837 20 0 DHADHM COc1ccc(Cl)cc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050924517 1018324340 /nfs/dbraw/zinc/32/43/40/1018324340.db2.gz OIIBOQVAQOGROM-CQSZACIVSA-N -1 3 311.809 3.568 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC34CCC4)c2)n1 ZINC000675297981 1018334060 /nfs/dbraw/zinc/33/40/60/1018334060.db2.gz IFGYDEUYSXZBLC-OAHLLOKOSA-N -1 3 323.396 3.540 20 0 DHADHM CO/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000764625444 1018336161 /nfs/dbraw/zinc/33/61/61/1018336161.db2.gz LCNQGYJMLPDHQT-OQLLNIDSSA-N -1 3 303.745 3.672 20 0 DHADHM [O-]c1cc(Cl)c(CN2CC(c3cccnc3)C2)c(Cl)c1 ZINC001142114388 1018358956 /nfs/dbraw/zinc/35/89/56/1018358956.db2.gz GEHCHIFSGXEVHI-UHFFFAOYSA-N -1 3 309.196 3.693 20 0 DHADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000041231762 1018377684 /nfs/dbraw/zinc/37/76/84/1018377684.db2.gz ZEOXKUAONFZKQW-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM Cc1c(F)cccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1 ZINC000874926921 1032761365 /nfs/dbraw/zinc/76/13/65/1032761365.db2.gz BIVBJOJUMINORF-QPEQYQDCSA-N -1 3 303.314 3.718 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3F)o2)S1 ZINC000874928493 1032763565 /nfs/dbraw/zinc/76/35/65/1032763565.db2.gz NYDUMOUKNOJJOW-WDZFZDKYSA-N -1 3 307.277 3.549 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc(O)c1F ZINC001212552432 1018439167 /nfs/dbraw/zinc/43/91/67/1018439167.db2.gz RDQNCLCFVDUKHR-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(Cl)s3)no2)c1[O-] ZINC000384292962 1018475240 /nfs/dbraw/zinc/47/52/40/1018475240.db2.gz CXXZIMYFSBRSNF-UHFFFAOYSA-N -1 3 308.746 3.833 20 0 DHADHM Cc1ccc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000675605361 1018525882 /nfs/dbraw/zinc/52/58/82/1018525882.db2.gz FNFPDWRFSCPFFG-UHFFFAOYSA-N -1 3 312.756 3.742 20 0 DHADHM C[C@H]1C[C@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000527179974 1018525969 /nfs/dbraw/zinc/52/59/69/1018525969.db2.gz FCXQFLAYLKSPAN-GJZGRUSLSA-N -1 3 309.409 3.800 20 0 DHADHM O=C([O-])[C@H]1CCCCCN1Cc1ccsc1C(F)(F)F ZINC000704329649 1018550635 /nfs/dbraw/zinc/55/06/35/1018550635.db2.gz RUSGXRDQYLHBRQ-SNVBAGLBSA-N -1 3 307.337 3.596 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1C ZINC000251613596 1018920356 /nfs/dbraw/zinc/92/03/56/1018920356.db2.gz CFNKYDJNDUYDQW-UTLUCORTSA-N -1 3 307.868 3.505 20 0 DHADHM O=C(Cc1cccc(Cl)c1Cl)[N-]OCCC(F)(F)F ZINC000278645173 1018974238 /nfs/dbraw/zinc/97/42/38/1018974238.db2.gz FGTSEGIBVGWURH-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM COc1ccc2cccc(CC(=O)[N-]OCc3ccccc3)c2c1 ZINC000179070546 1019065927 /nfs/dbraw/zinc/06/59/27/1019065927.db2.gz BLTKQJOBWMPJKX-UHFFFAOYSA-N -1 3 321.376 3.639 20 0 DHADHM O=C(N[C@H](c1cccnc1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000355320875 1019101887 /nfs/dbraw/zinc/10/18/87/1019101887.db2.gz WJKUFVPGAULHJC-IBGZPJMESA-N -1 3 318.376 3.822 20 0 DHADHM O=c1[n-]c(S[C@@H]2C=CCCC2)nc2c1cnn2-c1ccccc1 ZINC000076609137 1019144340 /nfs/dbraw/zinc/14/43/40/1019144340.db2.gz BNDNYYHWUUNNTC-CYBMUJFWSA-N -1 3 324.409 3.722 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CC(C)(C)O1 ZINC000356022650 1019161111 /nfs/dbraw/zinc/16/11/11/1019161111.db2.gz PXAQKNFSGRILIJ-UHFFFAOYSA-N -1 3 313.397 3.575 20 0 DHADHM O=C([N-]c1cccc2ocnc21)c1scnc1C(F)(F)F ZINC001128192774 1019168600 /nfs/dbraw/zinc/16/86/00/1019168600.db2.gz WEPUMJHRADFXTI-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1cccs1 ZINC001128219109 1019211715 /nfs/dbraw/zinc/21/17/15/1019211715.db2.gz BLOMVAPCDPWGFD-MRVPVSSYSA-N -1 3 317.307 3.996 20 0 DHADHM CCCc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)sc1C ZINC000073973205 1019313558 /nfs/dbraw/zinc/31/35/58/1019313558.db2.gz BQQOARIJICIOOL-UHFFFAOYSA-N -1 3 316.386 3.639 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cc2cccnc2[nH]1 ZINC001248724812 1032817614 /nfs/dbraw/zinc/81/76/14/1032817614.db2.gz NUMJGRMPRCCFOI-UHFFFAOYSA-N -1 3 322.137 3.914 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739022845 1019363643 /nfs/dbraw/zinc/36/36/43/1019363643.db2.gz FVEYMCJTJMUZTO-NWDGAFQWSA-N -1 3 310.825 3.769 20 0 DHADHM Cc1cc(Br)nc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212479723 1019411372 /nfs/dbraw/zinc/41/13/72/1019411372.db2.gz OCYDVWNZVAKILY-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM O=C(CSCc1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000611191141 1019411519 /nfs/dbraw/zinc/41/15/19/1019411519.db2.gz QZFGJIZINIEUKX-UHFFFAOYSA-N -1 3 309.337 3.542 20 0 DHADHM CC(=O)Nc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000351562205 1019419397 /nfs/dbraw/zinc/41/93/97/1019419397.db2.gz JVKWAHXPELKGOI-UHFFFAOYSA-N -1 3 320.348 3.756 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC000875496908 1032845977 /nfs/dbraw/zinc/84/59/77/1032845977.db2.gz WZRYSUYRUQTRJO-UHFFFAOYSA-N -1 3 302.252 3.718 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1ccccn1 ZINC000526867479 1019736498 /nfs/dbraw/zinc/73/64/98/1019736498.db2.gz IJSYEIZZNGCNSA-GOSISDBHSA-N -1 3 318.376 3.918 20 0 DHADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527476339 1019752285 /nfs/dbraw/zinc/75/22/85/1019752285.db2.gz MLCAATCLEKNTRL-HZMBPMFUSA-N -1 3 323.314 3.958 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1CCC(OC(F)F)CC1 ZINC000354504011 1019798561 /nfs/dbraw/zinc/79/85/61/1019798561.db2.gz QNGAOUXCISIRQF-UHFFFAOYSA-N -1 3 319.735 3.782 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000033918953 1019911740 /nfs/dbraw/zinc/91/17/40/1019911740.db2.gz AEIFXKBBJYIGGG-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM O=C(NCC1CCCCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000065809715 1019925930 /nfs/dbraw/zinc/92/59/30/1019925930.db2.gz KGEUSYGRHLDXMD-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(C)cc1[O-])CC3 ZINC000031287471 1019937069 /nfs/dbraw/zinc/93/70/69/1019937069.db2.gz SBJVCVOVWWKNRN-UHFFFAOYSA-N -1 3 320.392 3.689 20 0 DHADHM Cc1ccc(CN(C(=O)c2cc([O-])ccc2Cl)C2CC2)o1 ZINC000685623673 1019987281 /nfs/dbraw/zinc/98/72/81/1019987281.db2.gz JVQJAPLMNLPIPJ-UHFFFAOYSA-N -1 3 305.761 3.752 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000068071401 1020012380 /nfs/dbraw/zinc/01/23/80/1020012380.db2.gz RHYOAHFSRSILGJ-UHFFFAOYSA-N -1 3 324.475 3.842 20 0 DHADHM C[C@@H](C1CC1)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000093960921 1020073996 /nfs/dbraw/zinc/07/39/96/1020073996.db2.gz RYWZRBBGFMVDHB-AWEZNQCLSA-N -1 3 309.409 3.854 20 0 DHADHM COc1ccc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)c([O-])c1 ZINC000012395623 1032873834 /nfs/dbraw/zinc/87/38/34/1032873834.db2.gz MDOGUFKCDYBIHK-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM O=C(OCc1noc2c1CCCC2)c1cc(Cl)c(Cl)[n-]1 ZINC000731240489 1020085671 /nfs/dbraw/zinc/08/56/71/1020085671.db2.gz GESUGRLQOJSAQI-UHFFFAOYSA-N -1 3 315.156 3.545 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000111210897 1020144149 /nfs/dbraw/zinc/14/41/49/1020144149.db2.gz KMZRDFAWUWZSAK-AWEZNQCLSA-N -1 3 324.163 3.641 20 0 DHADHM O=C(Nc1c(F)cccc1Cl)c1c[n-]c2ccccc2c1=O ZINC001128008288 1020164583 /nfs/dbraw/zinc/16/45/83/1020164583.db2.gz LAKPJKTUNSWWQX-UHFFFAOYSA-N -1 3 316.719 3.573 20 0 DHADHM COc1cc(F)ccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000055584023 1020325012 /nfs/dbraw/zinc/32/50/12/1020325012.db2.gz ABNAIIOWOSDNPN-KTKRTIGZSA-N -1 3 321.373 3.555 20 0 DHADHM COc1ccc(Cl)cc1CNCc1ccc([O-])c(Cl)c1 ZINC000733325783 1020372458 /nfs/dbraw/zinc/37/24/58/1020372458.db2.gz SOLXNWXVZYMMTF-UHFFFAOYSA-N -1 3 312.196 3.997 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3c(C)cccc3[O-])c2C1 ZINC000625162863 1020391323 /nfs/dbraw/zinc/39/13/23/1020391323.db2.gz CXAASRUCCAGBHU-UHFFFAOYSA-N -1 3 310.397 3.679 20 0 DHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000054828350 1020404546 /nfs/dbraw/zinc/40/45/46/1020404546.db2.gz FNAQLDHFGCCPGN-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000765857444 1020525332 /nfs/dbraw/zinc/52/53/32/1020525332.db2.gz OPNUQKGFHWCSMP-VIFPVBQESA-N -1 3 314.332 3.560 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000625484600 1020546388 /nfs/dbraw/zinc/54/63/88/1020546388.db2.gz HNLIPAWMIPGIPX-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM CCOc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255866888 1020570061 /nfs/dbraw/zinc/57/00/61/1020570061.db2.gz VRFFNIQOLJNSCF-QXMHVHEDSA-N -1 3 321.373 3.637 20 0 DHADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000353873678 1020572077 /nfs/dbraw/zinc/57/20/77/1020572077.db2.gz WMOCELLRCNOYJY-ZDUSSCGKSA-N -1 3 306.365 3.774 20 0 DHADHM O=C(CCCc1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000132828903 1020576360 /nfs/dbraw/zinc/57/63/60/1020576360.db2.gz ILOKKKNXVKZMGC-UHFFFAOYSA-N -1 3 321.779 3.824 20 0 DHADHM CC(C)[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132881092 1020580171 /nfs/dbraw/zinc/58/01/71/1020580171.db2.gz AEPLOJMJUQRMIM-INIZCTEOSA-N -1 3 315.388 3.977 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000132996209 1020591762 /nfs/dbraw/zinc/59/17/62/1020591762.db2.gz XWZLUZMLLWOWLF-UHFFFAOYSA-N -1 3 319.719 3.861 20 0 DHADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[O-] ZINC000031593083 1020626277 /nfs/dbraw/zinc/62/62/77/1020626277.db2.gz SHGYSNJFMRKPJN-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM CC(C)Oc1ncc(C(=O)Nc2cc(F)ccc2[O-])cc1Cl ZINC000674015037 1020638238 /nfs/dbraw/zinc/63/82/38/1020638238.db2.gz HBFKDFJZKYQXPO-UHFFFAOYSA-N -1 3 324.739 3.619 20 0 DHADHM Cc1nc(CN[C@@H](C)[C@H](C)C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000570169557 1020644300 /nfs/dbraw/zinc/64/43/00/1020644300.db2.gz ZRVGWUXRUHZMAQ-UWVGGRQHSA-N -1 3 322.792 3.502 20 0 DHADHM CCC(CC)N(Cn1[n-]c(-c2ccccn2)nc1=S)C1CC1 ZINC000735296278 1020715199 /nfs/dbraw/zinc/71/51/99/1020715199.db2.gz NMFNDFTYBMEDFS-UHFFFAOYSA-N -1 3 317.462 3.613 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1cccc(C)c1C ZINC000448786166 1020760141 /nfs/dbraw/zinc/76/01/41/1020760141.db2.gz NIMXDIRENDUPKT-UHFFFAOYSA-N -1 3 301.361 3.744 20 0 DHADHM C[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)[C@@H]1c1ccccc1 ZINC000177827400 1020816256 /nfs/dbraw/zinc/81/62/56/1020816256.db2.gz MXXHLIFIUCLZAO-RBZFPXEDSA-N -1 3 321.376 3.692 20 0 DHADHM C[C@@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)CC(C)(C)C ZINC000636318690 1020908349 /nfs/dbraw/zinc/90/83/49/1020908349.db2.gz DUOPGXFTKVLHJX-LBPRGKRZSA-N -1 3 319.449 3.528 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000613396230 1020930134 /nfs/dbraw/zinc/93/01/34/1020930134.db2.gz RAPNFVJJDQKNGG-SJKOYZFVSA-N -1 3 305.443 3.766 20 0 DHADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000741309472 1020998457 /nfs/dbraw/zinc/99/84/57/1020998457.db2.gz DEZXMWUUHZKNCU-LBPRGKRZSA-N -1 3 309.321 3.965 20 0 DHADHM Nc1ccccc1C(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001212633015 1032950080 /nfs/dbraw/zinc/95/00/80/1032950080.db2.gz AVYGXAWGFZIUID-UHFFFAOYSA-N -1 3 312.316 3.781 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C(F)(F)F)c2)cc1 ZINC000741752984 1021049201 /nfs/dbraw/zinc/04/92/01/1021049201.db2.gz KUYNIDDMYFFNOA-UHFFFAOYSA-N -1 3 323.314 3.804 20 0 DHADHM CC(C)c1cccc(OCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128216245 1021203512 /nfs/dbraw/zinc/20/35/12/1021203512.db2.gz GSOIULWTOADEFB-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM [O-]c1ccc(F)c(-c2cccnc2OCC(F)(F)F)c1F ZINC001241293143 1021203604 /nfs/dbraw/zinc/20/36/04/1021203604.db2.gz BFXYWSGPNASVNG-UHFFFAOYSA-N -1 3 305.202 3.674 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(Cl)c2)CC1 ZINC000128244385 1021204949 /nfs/dbraw/zinc/20/49/49/1021204949.db2.gz PSXHQXTVLSPRRO-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM CC(C)(C)c1ccc(OCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128326066 1021218069 /nfs/dbraw/zinc/21/80/69/1021218069.db2.gz GLMVLCQCFZTANA-UHFFFAOYSA-N -1 3 317.360 3.846 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000128370074 1021231996 /nfs/dbraw/zinc/23/19/96/1021231996.db2.gz HAUQEUZTASPNLE-UWVGGRQHSA-N -1 3 307.271 3.552 20 0 DHADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)Cc1cccc(F)c1 ZINC000128435735 1021250268 /nfs/dbraw/zinc/25/02/68/1021250268.db2.gz OGIWQKZYFTVUMQ-LLVKDONJSA-N -1 3 305.324 3.878 20 0 DHADHM Cc1ccc(-c2noc(C(=O)[N-]c3ccc(Cl)c(F)c3)n2)o1 ZINC000517059982 1021345486 /nfs/dbraw/zinc/34/54/86/1021345486.db2.gz FPKLRZAMCPHJKR-UHFFFAOYSA-N -1 3 321.695 3.683 20 0 DHADHM CC(C)COc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129235030 1021454528 /nfs/dbraw/zinc/45/45/28/1021454528.db2.gz WWFQQCHDOZUYTM-UHFFFAOYSA-N -1 3 303.333 3.818 20 0 DHADHM CN(C)c1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000744182013 1021458476 /nfs/dbraw/zinc/45/84/76/1021458476.db2.gz FNWUNNARFGFFRB-UHFFFAOYSA-N -1 3 313.184 3.745 20 0 DHADHM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc([O-])ccc1Cl ZINC000278808408 1021487264 /nfs/dbraw/zinc/48/72/64/1021487264.db2.gz QETJGKUVWCPPTB-XOKHGSTOSA-N -1 3 313.784 3.504 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CCF)C2)c([O-])c1 ZINC000618698938 1021494669 /nfs/dbraw/zinc/49/46/69/1021494669.db2.gz YWXONJRJRMDHBX-AWEZNQCLSA-N -1 3 323.408 3.783 20 0 DHADHM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129597641 1021518024 /nfs/dbraw/zinc/51/80/24/1021518024.db2.gz KKORQTOXVRYPEV-NSHDSACASA-N -1 3 303.333 3.961 20 0 DHADHM CCN(C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000129649883 1021526326 /nfs/dbraw/zinc/52/63/26/1021526326.db2.gz YOTJRZWZFOVKDO-MRXNPFEDSA-N -1 3 318.804 3.677 20 0 DHADHM C[C@@H](CC(C)(C)C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784788161 1021612295 /nfs/dbraw/zinc/61/22/95/1021612295.db2.gz PWIFIWXYHUQTPQ-NSHDSACASA-N -1 3 318.373 3.558 20 0 DHADHM Cc1cc(C)n(-c2ccc(COC(=O)c3ccc([O-])cc3)cc2)n1 ZINC000745889323 1021794170 /nfs/dbraw/zinc/79/41/70/1021794170.db2.gz BNJJWBJJFLJBAG-UHFFFAOYSA-N -1 3 322.364 3.552 20 0 DHADHM Nc1ccc(N(c2c(Cl)ccc([O-])c2F)C2CCC2)nc1 ZINC001214558451 1021833307 /nfs/dbraw/zinc/83/33/07/1021833307.db2.gz VSZMUFYHYISLCU-UHFFFAOYSA-N -1 3 307.756 3.853 20 0 DHADHM CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746078325 1021840216 /nfs/dbraw/zinc/84/02/16/1021840216.db2.gz GJZQONSNGHKNSG-LLVKDONJSA-N -1 3 318.756 3.847 20 0 DHADHM CCOCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746080538 1021844639 /nfs/dbraw/zinc/84/46/39/1021844639.db2.gz ZJGKSXOMLWMQJW-UHFFFAOYSA-N -1 3 320.772 3.906 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](C2CCC2)C1 ZINC000620204483 1022071380 /nfs/dbraw/zinc/07/13/80/1022071380.db2.gz NEYUEXZVBGIXSW-INIZCTEOSA-N -1 3 319.420 3.893 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(c3ccon3)CC2)c([O-])c1 ZINC000620225266 1022094195 /nfs/dbraw/zinc/09/41/95/1022094195.db2.gz NRSURULJKYTGGA-UHFFFAOYSA-N -1 3 314.385 3.523 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000416125648 1022143463 /nfs/dbraw/zinc/14/34/63/1022143463.db2.gz WQKVSXYPGGHKEX-UHFFFAOYSA-N -1 3 318.398 3.843 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)(F)c1ccc(F)cc1 ZINC000920863486 1022181095 /nfs/dbraw/zinc/18/10/95/1022181095.db2.gz PIWYSYVITJMTPA-UHFFFAOYSA-N -1 3 315.678 3.915 20 0 DHADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000339117077 1022192177 /nfs/dbraw/zinc/19/21/77/1022192177.db2.gz ZZKBRIOERLIYSF-FNORWQNLSA-N -1 3 322.311 3.661 20 0 DHADHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C1(C)C ZINC001149274020 1022239783 /nfs/dbraw/zinc/23/97/83/1022239783.db2.gz RDFCJRDLDWLYFR-SJORKVTESA-N -1 3 319.445 3.756 20 0 DHADHM CCN(CCO)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214561484 1022254906 /nfs/dbraw/zinc/25/49/06/1022254906.db2.gz OMQOLUJEECUEDQ-UHFFFAOYSA-N -1 3 324.783 3.747 20 0 DHADHM FC(F)(F)c1cc(N[C@@H]2CCCC(F)(F)C2)nc(=S)[n-]1 ZINC001169214672 1022302046 /nfs/dbraw/zinc/30/20/46/1022302046.db2.gz HWOIUMVLFCYVSV-ZCFIWIBFSA-N -1 3 313.295 3.774 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)cc(F)cc1F ZINC000154535669 1022305841 /nfs/dbraw/zinc/30/58/41/1022305841.db2.gz BXZSWWANODCCFA-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CN(C)C(=O)c1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214561600 1022309028 /nfs/dbraw/zinc/30/90/28/1022309028.db2.gz UCIKGTOBMHQIKV-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H](C)c2ccccc21 ZINC001169383138 1022387101 /nfs/dbraw/zinc/38/71/01/1022387101.db2.gz ZYPJZUXXEUHRJT-XHDPSFHLSA-N -1 3 321.384 3.536 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H](C)c2ccccc21 ZINC001169383138 1022387119 /nfs/dbraw/zinc/38/71/19/1022387119.db2.gz ZYPJZUXXEUHRJT-XHDPSFHLSA-N -1 3 321.384 3.536 20 0 DHADHM Cc1cnn(-c2ccccn2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590393 1022416915 /nfs/dbraw/zinc/41/69/15/1022416915.db2.gz KKTBYDIVGNBNLU-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM Cc1cc(C)c2c(Nc3ccc(Cl)c([O-])c3)nn(C)c2n1 ZINC001212590629 1022433195 /nfs/dbraw/zinc/43/31/95/1022433195.db2.gz WHRGNDPIAUPVBM-UHFFFAOYSA-N -1 3 302.765 3.688 20 0 DHADHM CC(C)c1nnc2ccc(Nc3ccc(Cl)c([O-])c3)cn21 ZINC001212591402 1022451787 /nfs/dbraw/zinc/45/17/87/1022451787.db2.gz KMRNMYPVVABVHJ-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)cc1)[N-]OCC(F)(F)F ZINC000766761264 1022466130 /nfs/dbraw/zinc/46/61/30/1022466130.db2.gz FFFFMNUFWQMDJY-UHFFFAOYSA-N -1 3 309.287 3.506 20 0 DHADHM COc1cc(Nc2ccc(Cl)c([O-])c2)cc(OC)c1OC ZINC001212593096 1022486314 /nfs/dbraw/zinc/48/63/14/1022486314.db2.gz CMYXLQMBHNTFKY-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM COC(=O)c1ccc(OC)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592613 1022490807 /nfs/dbraw/zinc/49/08/07/1022490807.db2.gz YRXXZWRZDWMDAB-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM [O-]c1cc(Nc2ccc(OC3COC3)c(F)c2)ccc1Cl ZINC001212593046 1022492841 /nfs/dbraw/zinc/49/28/41/1022492841.db2.gz BSTWIATYLYOKBY-UHFFFAOYSA-N -1 3 309.724 3.706 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCC2)c1[n-]cnc1C(F)(F)F ZINC000854745392 1022519912 /nfs/dbraw/zinc/51/99/12/1022519912.db2.gz QMRCRPKMSUAEGS-UHFFFAOYSA-N -1 3 309.291 3.560 20 0 DHADHM O=C(Nc1ccc2c(c1)CCCC2)c1nc[n-]c1C(F)(F)F ZINC000854745392 1022519921 /nfs/dbraw/zinc/51/99/21/1022519921.db2.gz QMRCRPKMSUAEGS-UHFFFAOYSA-N -1 3 309.291 3.560 20 0 DHADHM [O-]c1cccnc1CNc1cc(C(F)(F)F)cc2[nH]ccc21 ZINC001169731221 1022525453 /nfs/dbraw/zinc/52/54/53/1022525453.db2.gz DPZFBGVXRHJBMS-UHFFFAOYSA-N -1 3 307.275 3.899 20 0 DHADHM [O-]c1cccnc1CNc1nc2ccccc2cc1C(F)(F)F ZINC001169732107 1022525970 /nfs/dbraw/zinc/52/59/70/1022525970.db2.gz IBDKQUJGYJJWOX-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM Cc1ccc2c(F)c(F)cc(NCc3ncccc3[O-])c2n1 ZINC001169731731 1022526239 /nfs/dbraw/zinc/52/62/39/1022526239.db2.gz FDOPBKQEYSSOJU-UHFFFAOYSA-N -1 3 301.296 3.534 20 0 DHADHM COc1cc(Nc2ccc(Cl)c([O-])c2)ccc1OC1COC1 ZINC001212594319 1022526342 /nfs/dbraw/zinc/52/63/42/1022526342.db2.gz WKZYOACZBMXFTM-UHFFFAOYSA-N -1 3 321.760 3.575 20 0 DHADHM COCCOc1cccc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212595144 1022551544 /nfs/dbraw/zinc/55/15/44/1022551544.db2.gz JQKJJLWXVLXKLY-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000855014780 1022562012 /nfs/dbraw/zinc/56/20/12/1022562012.db2.gz DLEBGLILHADLSI-KGLIPLIRSA-N -1 3 317.813 3.549 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC000113067874 1022587669 /nfs/dbraw/zinc/58/76/69/1022587669.db2.gz QKIMLQWPGWWMKM-UHFFFAOYSA-N -1 3 305.761 3.639 20 0 DHADHM COc1cc(C(=O)N(C)C2CCCCCCC2)cc(OC)c1[O-] ZINC000186728605 1022597428 /nfs/dbraw/zinc/59/74/28/1022597428.db2.gz LNZPXNITXIPTFA-UHFFFAOYSA-N -1 3 321.417 3.594 20 0 DHADHM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000010318859 1022642670 /nfs/dbraw/zinc/64/26/70/1022642670.db2.gz CCRZMULGLCHMNT-UHFFFAOYSA-N -1 3 317.772 3.551 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCSC3(CCC3)CC2)c1 ZINC000616256168 1022675555 /nfs/dbraw/zinc/67/55/55/1022675555.db2.gz SHKXSOUNSNOMHQ-UHFFFAOYSA-N -1 3 323.483 3.616 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1cscc1C(F)(F)F ZINC000621397683 1022742163 /nfs/dbraw/zinc/74/21/63/1022742163.db2.gz RYDPWEFTUHUDNM-UHFFFAOYSA-N -1 3 319.333 3.748 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)[N-]OCC1CCC1 ZINC000856344275 1022800202 /nfs/dbraw/zinc/80/02/02/1022800202.db2.gz HBHGILFEKNZYAL-UHFFFAOYSA-N -1 3 311.381 3.651 20 0 DHADHM O=C(CCSc1nc2ccccc2s1)[N-]OCC1CCC1 ZINC000856344589 1022800430 /nfs/dbraw/zinc/80/04/30/1022800430.db2.gz NXUVVSNWZXABKP-UHFFFAOYSA-N -1 3 322.455 3.626 20 0 DHADHM O=C(COC(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC000011077778 1022834341 /nfs/dbraw/zinc/83/43/41/1022834341.db2.gz JQFRVGQQTWVFNR-UHFFFAOYSA-N -1 3 306.317 3.585 20 0 DHADHM Cc1ccncc1[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941130 1022959948 /nfs/dbraw/zinc/95/99/48/1022959948.db2.gz JMLHYGCESXCYET-SNVBAGLBSA-N -1 3 324.302 3.605 20 0 DHADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621988913 1022982792 /nfs/dbraw/zinc/98/27/92/1022982792.db2.gz QAEWCXOIENIKIT-QMMMGPOBSA-N -1 3 323.261 3.576 20 0 DHADHM Cc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000021730913 1033097985 /nfs/dbraw/zinc/09/79/85/1033097985.db2.gz MJMCIYWQMZEVRR-UHFFFAOYSA-N -1 3 312.152 3.670 20 0 DHADHM Cc1cc(Cl)ccc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000857433451 1023004566 /nfs/dbraw/zinc/00/45/66/1023004566.db2.gz CGXQABLLCHCXDG-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM Cc1cc(Cl)ccc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000857433451 1023004573 /nfs/dbraw/zinc/00/45/73/1023004573.db2.gz CGXQABLLCHCXDG-UHFFFAOYSA-N -1 3 303.671 3.643 20 0 DHADHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)c2cccnc12 ZINC000857435971 1023007884 /nfs/dbraw/zinc/00/78/84/1023007884.db2.gz PRVOKTCPABGKHJ-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)c2cccnc12 ZINC000857435971 1023007899 /nfs/dbraw/zinc/00/78/99/1023007899.db2.gz PRVOKTCPABGKHJ-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM O=C(CCCc1ccc(F)cc1)[N-]OCc1ccc(F)cc1 ZINC000857484843 1023019879 /nfs/dbraw/zinc/01/98/79/1023019879.db2.gz MJNWQWRLEMMYRL-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM Cc1ccc(C(F)(F)C(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC000780561303 1023026424 /nfs/dbraw/zinc/02/64/24/1023026424.db2.gz LVUWSMGUPYNCBC-UHFFFAOYSA-N -1 3 320.217 3.732 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](CCF)C1 ZINC000622172632 1023058855 /nfs/dbraw/zinc/05/88/55/1023058855.db2.gz REZZAYVFYMIECA-SNVBAGLBSA-N -1 3 319.298 3.623 20 0 DHADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133177448 1033105802 /nfs/dbraw/zinc/10/58/02/1033105802.db2.gz XHMJPQTWWVDZKM-ZDUSSCGKSA-N -1 3 301.361 3.650 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089719032 1023099254 /nfs/dbraw/zinc/09/92/54/1023099254.db2.gz NLJHHKCPZVBBON-LLVKDONJSA-N -1 3 320.439 3.969 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H](F)c1ccccc1 ZINC000769613544 1023186864 /nfs/dbraw/zinc/18/68/64/1023186864.db2.gz ONVFCOXPOFWYAZ-CYBMUJFWSA-N -1 3 324.149 3.804 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](F)c1ccccc1 ZINC000769613546 1023187751 /nfs/dbraw/zinc/18/77/51/1023187751.db2.gz ONVFCOXPOFWYAZ-ZDUSSCGKSA-N -1 3 324.149 3.804 20 0 DHADHM Cc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000769625840 1023189068 /nfs/dbraw/zinc/18/90/68/1023189068.db2.gz APJDMBLIXVAJLR-UHFFFAOYSA-N -1 3 308.337 3.532 20 0 DHADHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1c([O-])cccc1O ZINC000770402246 1023306529 /nfs/dbraw/zinc/30/65/29/1023306529.db2.gz XBYGMGAFLOWFTR-UHFFFAOYSA-N -1 3 311.381 3.598 20 0 DHADHM CCCCCCN(C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771224022 1023412715 /nfs/dbraw/zinc/41/27/15/1023412715.db2.gz NUNVVSRFWZKDOE-UHFFFAOYSA-N -1 3 307.369 3.593 20 0 DHADHM O=C(CC1=CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000592740336 1023459540 /nfs/dbraw/zinc/45/95/40/1023459540.db2.gz FQFUVGQQLPCQIP-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM O=C(OCc1ncc(Cl)s1)c1cc(F)cc(Cl)c1[O-] ZINC000772164420 1023525728 /nfs/dbraw/zinc/52/57/28/1023525728.db2.gz GNEAPWIOINOUHU-UHFFFAOYSA-N -1 3 322.144 3.652 20 0 DHADHM O=C(CCc1ccccc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746528855 1023528221 /nfs/dbraw/zinc/52/82/21/1023528221.db2.gz CRIQZGNXJABJJY-UHFFFAOYSA-N -1 3 323.314 3.886 20 0 DHADHM Cc1cscc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000785644543 1023596878 /nfs/dbraw/zinc/59/68/78/1023596878.db2.gz WFGPPYJLJUMKER-UHFFFAOYSA-N -1 3 317.307 3.743 20 0 DHADHM CCC(CC)n1ccc(COC(=O)c2cc3occc3[n-]2)n1 ZINC000786027384 1023649282 /nfs/dbraw/zinc/64/92/82/1023649282.db2.gz CUWYMQQEGVWRAF-UHFFFAOYSA-N -1 3 301.346 3.676 20 0 DHADHM CSc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031566 1023653150 /nfs/dbraw/zinc/65/31/50/1023653150.db2.gz DMVNZOXLNRJNKC-UHFFFAOYSA-N -1 3 315.350 3.523 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1ccc(F)c(Cl)c1 ZINC000786030202 1023653279 /nfs/dbraw/zinc/65/32/79/1023653279.db2.gz MMXVFMCSKHSCJK-UHFFFAOYSA-N -1 3 321.691 3.593 20 0 DHADHM O=C(OCc1ccc(OC(F)F)cc1)c1cc2occc2[n-]1 ZINC000786032980 1023653869 /nfs/dbraw/zinc/65/38/69/1023653869.db2.gz HBTDBTIVRYXUEH-UHFFFAOYSA-N -1 3 307.252 3.719 20 0 DHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC000786132731 1023665156 /nfs/dbraw/zinc/66/51/56/1023665156.db2.gz WVVXIUTVEQKKAA-UHFFFAOYSA-N -1 3 318.394 3.913 20 0 DHADHM C[C@@H]1C[C@@H](COC(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC000786138422 1023667047 /nfs/dbraw/zinc/66/70/47/1023667047.db2.gz SLPJHTZALHALNO-MNOVXSKESA-N -1 3 306.383 3.579 20 0 DHADHM CC(C)[C@@H](Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001170066008 1023741615 /nfs/dbraw/zinc/74/16/15/1023741615.db2.gz FWLCNJTZXMGBPK-MRXNPFEDSA-N -1 3 311.364 3.815 20 0 DHADHM CC(C)[C@@H](Nc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001170066008 1023741626 /nfs/dbraw/zinc/74/16/26/1023741626.db2.gz FWLCNJTZXMGBPK-MRXNPFEDSA-N -1 3 311.364 3.815 20 0 DHADHM Cc1ccc2c(c1)CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787210099 1023775058 /nfs/dbraw/zinc/77/50/58/1023775058.db2.gz DBQFHYWBBFMGDK-UHFFFAOYSA-N -1 3 313.372 3.752 20 0 DHADHM COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)cc(Cl)c1[O-] ZINC000048878176 1023819076 /nfs/dbraw/zinc/81/90/76/1023819076.db2.gz HKEAAZSWSMAFRV-UHFFFAOYSA-N -1 3 310.687 3.876 20 0 DHADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cn1 ZINC000787914630 1023830603 /nfs/dbraw/zinc/83/06/03/1023830603.db2.gz IDDUVLADDIQPOK-SNVBAGLBSA-N -1 3 310.731 3.704 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000049375362 1023849839 /nfs/dbraw/zinc/84/98/39/1023849839.db2.gz VZZSZRILJPPAHH-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CCN(CC(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000184659181 1023964435 /nfs/dbraw/zinc/96/44/35/1023964435.db2.gz JKIFTCLNXAUAFE-UHFFFAOYSA-N -1 3 321.323 3.912 20 0 DHADHM C[C@@H](CCOC(=O)c1ccc([O-])cc1)OCc1ccccc1 ZINC000789002673 1023964736 /nfs/dbraw/zinc/96/47/36/1023964736.db2.gz XQORJGBIGQMRQV-AWEZNQCLSA-N -1 3 300.354 3.544 20 0 DHADHM CC(C)(C)OCCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000789056740 1023992028 /nfs/dbraw/zinc/99/20/28/1023992028.db2.gz CFFREFOLRZJHFN-UHFFFAOYSA-N -1 3 318.772 3.937 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000531116948 1024024198 /nfs/dbraw/zinc/02/41/98/1024024198.db2.gz UWDPPVCSXWPUEJ-CQSZACIVSA-N -1 3 307.459 3.702 20 0 DHADHM CCSCc1cccnc1[N-]C(=O)c1ocnc1C(F)F ZINC000882665933 1024094429 /nfs/dbraw/zinc/09/44/29/1024094429.db2.gz ZDMFYLGEXYFABP-UHFFFAOYSA-N -1 3 313.329 3.513 20 0 DHADHM O=C([N-]c1nc2ccsc2s1)c1nc(Cl)cs1 ZINC000789956102 1024193977 /nfs/dbraw/zinc/19/39/77/1024193977.db2.gz NZUZYEHLPJQPPA-UHFFFAOYSA-N -1 3 301.805 3.720 20 0 DHADHM C[C@H]1CC/C(=C\C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000269011344 1024220818 /nfs/dbraw/zinc/22/08/18/1024220818.db2.gz HCYFISQDYCAWDY-NGPGYTDTSA-N -1 3 324.218 3.517 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2F)no1)c1nc(Cl)cs1 ZINC000790645123 1024349314 /nfs/dbraw/zinc/34/93/14/1024349314.db2.gz AVLFCQKTINONBW-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM [O-]c1ccc(Cc2nc(CCCc3ccsc3)no2)cc1F ZINC000453146823 1024351579 /nfs/dbraw/zinc/35/15/79/1024351579.db2.gz IMTMITDTXSAHCM-UHFFFAOYSA-N -1 3 318.373 3.742 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000159360746 1024360606 /nfs/dbraw/zinc/36/06/06/1024360606.db2.gz MSGPWYJRVUHHPN-CYBMUJFWSA-N -1 3 316.376 3.709 20 0 DHADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cncc(Cl)n2)c1F ZINC000790891276 1024394780 /nfs/dbraw/zinc/39/47/80/1024394780.db2.gz QAELDTGBBLUWND-UHFFFAOYSA-N -1 3 318.110 3.622 20 0 DHADHM CCc1cc(O)ccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000791151297 1024447242 /nfs/dbraw/zinc/44/72/42/1024447242.db2.gz GOJTXHFQYNYNQU-UHFFFAOYSA-N -1 3 311.381 3.791 20 0 DHADHM CCC(CC)N(CCOC)C(=O)c1cc2sccc2c([O-])c1 ZINC000791329088 1024473235 /nfs/dbraw/zinc/47/32/35/1024473235.db2.gz CRXVWMHXAJPWPS-UHFFFAOYSA-N -1 3 321.442 3.884 20 0 DHADHM CC(C)(NC(=O)c1cc2sccc2c([O-])c1)c1nccs1 ZINC000791366648 1024483803 /nfs/dbraw/zinc/48/38/03/1024483803.db2.gz LUOQUPXOKUYPOY-UHFFFAOYSA-N -1 3 318.423 3.729 20 0 DHADHM CC(C)n1cc(NCc2cccc([O-])c2Br)cn1 ZINC000315347235 1024555510 /nfs/dbraw/zinc/55/55/10/1024555510.db2.gz LFXHKLSGHGSIOD-UHFFFAOYSA-N -1 3 310.195 3.544 20 0 DHADHM O=C(OCc1csc2ccccc12)c1cccc2nn[n-]c21 ZINC000800208484 1024739445 /nfs/dbraw/zinc/73/94/45/1024739445.db2.gz JBUVPBXSPNAWNO-UHFFFAOYSA-N -1 3 309.350 3.530 20 0 DHADHM O=C(OCc1csc2ccccc12)c1cccc2[n-]nnc21 ZINC000800208484 1024739457 /nfs/dbraw/zinc/73/94/57/1024739457.db2.gz JBUVPBXSPNAWNO-UHFFFAOYSA-N -1 3 309.350 3.530 20 0 DHADHM O=C(OCc1csc2ccccc12)c1cccc2n[n-]nc21 ZINC000800208484 1024739467 /nfs/dbraw/zinc/73/94/67/1024739467.db2.gz JBUVPBXSPNAWNO-UHFFFAOYSA-N -1 3 309.350 3.530 20 0 DHADHM C[C@H](c1ccccc1F)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000350178407 1024798949 /nfs/dbraw/zinc/79/89/49/1024798949.db2.gz YUIVTMCQSPRFGL-GFCCVEGCSA-N -1 3 324.355 3.500 20 0 DHADHM CCO[C@@H](CNCc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000353231870 1024991602 /nfs/dbraw/zinc/99/16/02/1024991602.db2.gz NQLJZCDLMAXECX-INIZCTEOSA-N -1 3 307.340 3.538 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3c(c2)ncn3C)CC)n1 ZINC000279390798 1025020027 /nfs/dbraw/zinc/02/00/27/1025020027.db2.gz GXPDPDANMHGQIH-ZROIWOOFSA-N -1 3 322.412 3.972 20 0 DHADHM Cc1cc(=O)[n-]c(CSC[C@H](OC(C)C)c2ccccc2)n1 ZINC000793949653 1025196246 /nfs/dbraw/zinc/19/62/46/1025196246.db2.gz DNOUPXOMVFYCTA-HNNXBMFYSA-N -1 3 318.442 3.890 20 0 DHADHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc([O-])ccc1Cl ZINC000353759855 1025240310 /nfs/dbraw/zinc/24/03/10/1025240310.db2.gz GKNOUKPIOCJEFG-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccc(C)o2)C2CC2)c1 ZINC000666637424 1025322761 /nfs/dbraw/zinc/32/27/61/1025322761.db2.gz HCNXLJUGSGEIKY-UHFFFAOYSA-N -1 3 317.410 3.820 20 0 DHADHM Cc1cn2c(n1)[C@@H](Oc1cccc([O-])c1Br)CCC2 ZINC001229141655 1025417098 /nfs/dbraw/zinc/41/70/98/1025417098.db2.gz LSPDAEVMIXRVPI-LBPRGKRZSA-N -1 3 323.190 3.574 20 0 DHADHM CC(C)COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000354420033 1025426214 /nfs/dbraw/zinc/42/62/14/1025426214.db2.gz DHDUACVTQWHHJB-UHFFFAOYSA-N -1 3 320.776 3.728 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000126078350 1025501466 /nfs/dbraw/zinc/50/14/66/1025501466.db2.gz PODOPWTZQNMWGZ-CQSZACIVSA-N -1 3 324.405 3.979 20 0 DHADHM CS[C@@H]1CCCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000355169881 1025621751 /nfs/dbraw/zinc/62/17/51/1025621751.db2.gz UJLHDGWEWKYLBL-OAHLLOKOSA-N -1 3 315.438 3.903 20 0 DHADHM O=C([N-]C1(c2ccc(F)cc2)CC1)C(F)(F)c1ccc(F)cc1 ZINC000729659059 1025823258 /nfs/dbraw/zinc/82/32/58/1025823258.db2.gz OHNXJFSAUWFISV-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM CCCCn1nc(C)c(C=Cc2nc(C)cc(=O)[n-]2)c1Cl ZINC000806574284 1025930484 /nfs/dbraw/zinc/93/04/84/1025930484.db2.gz KDZCIOBXIRFEMI-SREVYHEPSA-N -1 3 306.797 3.619 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc2c(cccc2Cl)s1 ZINC000614266670 1026017853 /nfs/dbraw/zinc/01/78/53/1026017853.db2.gz QBWXUUSTBYGPEI-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM CCOC(=O)c1ccc(OC)c(Nc2ccc([O-])c(Cl)c2)c1 ZINC001211978834 1026110863 /nfs/dbraw/zinc/11/08/63/1026110863.db2.gz GYERXNYKVZVJEG-UHFFFAOYSA-N -1 3 321.760 3.975 20 0 DHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C2CCCCCCC2)c1 ZINC000122083592 1026168882 /nfs/dbraw/zinc/16/88/82/1026168882.db2.gz MDZMXPLBOUXBOR-UHFFFAOYSA-N -1 3 318.417 3.536 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)C1(c2ccccc2)CC1 ZINC000808544865 1026325876 /nfs/dbraw/zinc/32/58/76/1026325876.db2.gz WMXVVEMYUISIGE-GFCCVEGCSA-N -1 3 323.348 3.607 20 0 DHADHM COCCN(c1ccccc1N)c1c(Cl)ccc([O-])c1F ZINC001214565107 1026353991 /nfs/dbraw/zinc/35/39/91/1026353991.db2.gz YFIZWQBSXLIUBM-UHFFFAOYSA-N -1 3 310.756 3.551 20 0 DHADHM CC(C)c1noc([N-][C@H](C)c2ccc(Br)cn2)n1 ZINC000280295142 1026628055 /nfs/dbraw/zinc/62/80/55/1026628055.db2.gz QXSNDQWMLPWMOG-MRVPVSSYSA-N -1 3 311.183 3.524 20 0 DHADHM CN1CCCc2cc(NC(=O)c3cc([O-])ccc3Cl)ccc21 ZINC000810377374 1026755647 /nfs/dbraw/zinc/75/56/47/1026755647.db2.gz RQRZFYYQKRPYOG-UHFFFAOYSA-N -1 3 316.788 3.680 20 0 DHADHM O=C(OC1([C@@H]2CCOC2)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810590430 1026794045 /nfs/dbraw/zinc/79/40/45/1026794045.db2.gz LTUHSPGBCXOHQT-SECBINFHSA-N -1 3 311.790 3.609 20 0 DHADHM COC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000810606513 1026805230 /nfs/dbraw/zinc/80/52/30/1026805230.db2.gz XUULWRLSYQJQJP-SNVBAGLBSA-N -1 3 301.795 3.711 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2Cc3ccc(Cl)cc3C2)c1 ZINC001299171334 1026914563 /nfs/dbraw/zinc/91/45/63/1026914563.db2.gz MLSOKZIXCXAZEM-UHFFFAOYSA-N -1 3 319.813 3.924 20 0 DHADHM O=C([O-])C[C@H](NCc1cccc(C2CC2)c1)c1ccsc1 ZINC000421817762 1027065021 /nfs/dbraw/zinc/06/50/21/1027065021.db2.gz WUJMGEOAALWNSP-INIZCTEOSA-N -1 3 301.411 3.931 20 0 DHADHM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000571358401 1027121453 /nfs/dbraw/zinc/12/14/53/1027121453.db2.gz UPWJVAXYFZNKQQ-SNAWJCMRSA-N -1 3 316.426 3.587 20 0 DHADHM CC[C@@H](NCc1ncccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000572079574 1027170088 /nfs/dbraw/zinc/17/00/88/1027170088.db2.gz HAFLFDLOEWNEOQ-MRVPVSSYSA-N -1 3 317.336 3.503 20 0 DHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCCC1 ZINC000028486150 1027273918 /nfs/dbraw/zinc/27/39/18/1027273918.db2.gz NMWJGTQLFHXFKZ-UHFFFAOYSA-N -1 3 304.173 3.628 20 0 DHADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000295652164 1027376985 /nfs/dbraw/zinc/37/69/85/1027376985.db2.gz GLROORJMRPSCBE-UONOGXRCSA-N -1 3 312.413 3.887 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1CC ZINC000158006758 1027411556 /nfs/dbraw/zinc/41/15/56/1027411556.db2.gz UCRGRBOTQCZTFL-UHFFFAOYSA-N -1 3 324.833 3.661 20 0 DHADHM CC(C)OCCO[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000812806518 1027427694 /nfs/dbraw/zinc/42/76/94/1027427694.db2.gz GHZBOHFXPLEKPL-YJBOKZPZSA-N -1 3 319.445 3.776 20 0 DHADHM CC(C)OCCO[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000812807325 1027432026 /nfs/dbraw/zinc/43/20/26/1027432026.db2.gz JUACTNBLGILCOQ-UHFFFAOYSA-N -1 3 315.413 3.635 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2ccco2)on1 ZINC000574945747 1027444605 /nfs/dbraw/zinc/44/46/05/1027444605.db2.gz YNXLDQTYKSUKFI-UHFFFAOYSA-N -1 3 304.689 3.546 20 0 DHADHM O=C(Cc1ccc(Cl)s1)Nc1cc(Cl)ccc1[O-] ZINC000513808197 1027540163 /nfs/dbraw/zinc/54/01/63/1027540163.db2.gz PBTYYTUBVGAYCQ-UHFFFAOYSA-N -1 3 302.182 3.942 20 0 DHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000363251644 1027572552 /nfs/dbraw/zinc/57/25/52/1027572552.db2.gz IASRFPRIRIDNFI-PBFPGSCMSA-N -1 3 311.381 3.505 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000576830601 1027666691 /nfs/dbraw/zinc/66/66/91/1027666691.db2.gz VUZRNLVHOCOAHY-ZJUUUORDSA-N -1 3 324.833 3.662 20 0 DHADHM C[C@@H](NCc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)C(=O)[O-] ZINC000576830599 1027668272 /nfs/dbraw/zinc/66/82/72/1027668272.db2.gz VUZRNLVHOCOAHY-VHSXEESVSA-N -1 3 324.833 3.662 20 0 DHADHM O=C(NC1(C(F)F)CCCC1)c1cc2sccc2c([O-])c1 ZINC000813887152 1027752832 /nfs/dbraw/zinc/75/28/32/1027752832.db2.gz WUNVQTYOZDAWLQ-UHFFFAOYSA-N -1 3 311.353 3.915 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(CC(F)(F)F)CC2)c1 ZINC000577402712 1027765651 /nfs/dbraw/zinc/76/56/51/1027765651.db2.gz NKUARRTWOUKGKU-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297104230 1027797227 /nfs/dbraw/zinc/79/72/27/1027797227.db2.gz GBZHUJYNIMEPRB-DOTOQJQBSA-N -1 3 311.381 3.506 20 0 DHADHM CC1(C)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000577521597 1027803491 /nfs/dbraw/zinc/80/34/91/1027803491.db2.gz JSLRHAGGKLOLPU-LBPRGKRZSA-N -1 3 302.201 3.851 20 0 DHADHM CN(C(=O)c1ccccc1[O-])[C@H](c1ccccc1)c1ccccn1 ZINC000364494415 1027827543 /nfs/dbraw/zinc/82/75/43/1027827543.db2.gz NLWRRNYAFILNSE-LJQANCHMSA-N -1 3 318.376 3.649 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000448914000 1028174700 /nfs/dbraw/zinc/17/47/00/1028174700.db2.gz TUFVFMVSCNZLKR-IBGZPJMESA-N -1 3 313.372 3.731 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCCc3ccccc32)c1[O-] ZINC000578632547 1028197641 /nfs/dbraw/zinc/19/76/41/1028197641.db2.gz CIWZSZOYHJUYJP-FQEVSTJZSA-N -1 3 323.392 3.828 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000448968886 1028216138 /nfs/dbraw/zinc/21/61/38/1028216138.db2.gz LTVDUZBVJKBURJ-WBVHZDCISA-N -1 3 313.372 3.526 20 0 DHADHM COc1c(C)cccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001245361035 1028323609 /nfs/dbraw/zinc/32/36/09/1028323609.db2.gz VJPJWRDODHKDIP-UHFFFAOYSA-N -1 3 300.305 3.768 20 0 DHADHM CSc1ccc(C(=O)N2CCC[C@H]2c2nccs2)c([O-])c1 ZINC000369732723 1028524492 /nfs/dbraw/zinc/52/44/92/1028524492.db2.gz QLZVVIPNITZRHB-LBPRGKRZSA-N -1 3 320.439 3.548 20 0 DHADHM CC1(C)CC[C@@H](C/N=C/c2cc(Br)ccc2[O-])O1 ZINC000189353660 1028573113 /nfs/dbraw/zinc/57/31/13/1028573113.db2.gz KLCRDSCMNUYVBN-WIJRQFRKSA-N -1 3 312.207 3.531 20 0 DHADHM CC(C)(C)c1ccc(/C=C/C(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000749376033 1028584686 /nfs/dbraw/zinc/58/46/86/1028584686.db2.gz XKMGMDYCNGTUEO-XLNAKTSKSA-N -1 3 303.402 3.572 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1CC(c2cccc(F)c2)C1 ZINC000371261484 1028684761 /nfs/dbraw/zinc/68/47/61/1028684761.db2.gz YYOGPEBHQXRUTR-UHFFFAOYSA-N -1 3 303.308 3.803 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCc2ccccc2Cl)c1 ZINC001135427686 1028755398 /nfs/dbraw/zinc/75/53/98/1028755398.db2.gz BYCBHWFOSPTKCO-UHFFFAOYSA-N -1 3 307.802 3.698 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001135556589 1028848926 /nfs/dbraw/zinc/84/89/26/1028848926.db2.gz SZMFMELOAXFLHV-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM O=C(NCc1noc2ccccc12)c1cc([O-])c2ccccc2c1 ZINC000816412714 1028849891 /nfs/dbraw/zinc/84/98/91/1028849891.db2.gz KHRGHSZTPSXMFL-UHFFFAOYSA-N -1 3 318.332 3.617 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1c(Cl)nc2ccccn21 ZINC000816768836 1028997408 /nfs/dbraw/zinc/99/74/08/1028997408.db2.gz IWPTYWROHKWUGL-UHFFFAOYSA-N -1 3 322.151 3.599 20 0 DHADHM Cc1nc([N-]C(=O)c2snc(Cl)c2Cl)sc1C ZINC000816833850 1029013183 /nfs/dbraw/zinc/01/31/83/1029013183.db2.gz WZZGWBPVJAFQKI-UHFFFAOYSA-N -1 3 308.215 3.776 20 0 DHADHM Cc1cccc2cc(C(=O)Nc3ncccc3[O-])c(Cl)nc12 ZINC000816823449 1029018281 /nfs/dbraw/zinc/01/82/81/1029018281.db2.gz VOTDRBUEUYJQFB-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000449959135 1029105196 /nfs/dbraw/zinc/10/51/96/1029105196.db2.gz KAEXIGCCPNHFGC-OAHLLOKOSA-N -1 3 317.360 3.811 20 0 DHADHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)[N-]OCCC2CC2)cc1 ZINC000817383171 1029140428 /nfs/dbraw/zinc/14/04/28/1029140428.db2.gz GCVMGACCZIAZRC-KRWDZBQOSA-N -1 3 319.445 3.646 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CC[C@H](CC(F)(F)F)C1 ZINC000569123560 1029178358 /nfs/dbraw/zinc/17/83/58/1029178358.db2.gz OZYBWDXUCIPKLG-SNVBAGLBSA-N -1 3 324.302 3.712 20 0 DHADHM CCCOc1ncccc1CNCc1c([O-])ccc(Cl)c1F ZINC000190875210 1029189259 /nfs/dbraw/zinc/18/92/59/1029189259.db2.gz VMCIMDLSAVSIAF-UHFFFAOYSA-N -1 3 324.783 3.658 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC000063529863 1029225908 /nfs/dbraw/zinc/22/59/08/1029225908.db2.gz CQDFYZVFGYVFPT-ZDUSSCGKSA-N -1 3 321.380 3.582 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(N)cc2[O-])cc1C ZINC000817923588 1029275866 /nfs/dbraw/zinc/27/58/66/1029275866.db2.gz CDQLJKCZVFBVRU-KRWDZBQOSA-N -1 3 310.397 3.569 20 0 DHADHM CC(C)C[C@H](NC(=O)c1ccc(N)cc1[O-])c1cccs1 ZINC000817924610 1029277035 /nfs/dbraw/zinc/27/70/35/1029277035.db2.gz UFKMGQAKVDUWRX-ZDUSSCGKSA-N -1 3 304.415 3.553 20 0 DHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817948538 1029291134 /nfs/dbraw/zinc/29/11/34/1029291134.db2.gz BEJBCJLTHMHXDX-LIRRHRJNSA-N -1 3 324.424 3.896 20 0 DHADHM CC[C@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@H]1c1ccccc1 ZINC000817957974 1029297190 /nfs/dbraw/zinc/29/71/90/1029297190.db2.gz GVNJDHPRWWDRHN-WMLDXEAASA-N -1 3 324.424 3.630 20 0 DHADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c2ccccc2n1 ZINC000629372066 1029315322 /nfs/dbraw/zinc/31/53/22/1029315322.db2.gz BBJHXXBLQDFWFG-JENIJYKNSA-N -1 3 324.424 3.618 20 0 DHADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c2ccccc2n1 ZINC000629372071 1029315955 /nfs/dbraw/zinc/31/59/55/1029315955.db2.gz BBJHXXBLQDFWFG-ZIFCJYIRSA-N -1 3 324.424 3.618 20 0 DHADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450298120 1029331566 /nfs/dbraw/zinc/33/15/66/1029331566.db2.gz LXKJUMJXYOSVAW-BUXKBTBVSA-N -1 3 313.372 3.514 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000156149981 1029395028 /nfs/dbraw/zinc/39/50/28/1029395028.db2.gz CWJQJNHWEHHWGV-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000156149981 1029395043 /nfs/dbraw/zinc/39/50/43/1029395043.db2.gz CWJQJNHWEHHWGV-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C3CCC3)cn2)cc1[O-] ZINC000412362770 1029417936 /nfs/dbraw/zinc/41/79/36/1029417936.db2.gz HMTIUDIUCHHBTO-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM CCCN(Cc1ccc(F)cc1F)C(=O)c1ccccc1[O-] ZINC001136175412 1029445149 /nfs/dbraw/zinc/44/51/49/1029445149.db2.gz FWSXWBQQNAGREC-UHFFFAOYSA-N -1 3 305.324 3.723 20 0 DHADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000412675612 1029505204 /nfs/dbraw/zinc/50/52/04/1029505204.db2.gz LNKZDXOCBMNCHH-JTQLQIEISA-N -1 3 321.314 3.559 20 0 DHADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000412675613 1029505975 /nfs/dbraw/zinc/50/59/75/1029505975.db2.gz LNKZDXOCBMNCHH-SNVBAGLBSA-N -1 3 321.314 3.559 20 0 DHADHM Cc1cccc(C)c1[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450608041 1029576934 /nfs/dbraw/zinc/57/69/34/1029576934.db2.gz BISJIQGREVUWNG-ZDUSSCGKSA-N -1 3 301.361 3.568 20 0 DHADHM CCc1ccc(C(=O)N2CCn3c(Cl)ccc3[C@H]2C)c([O-])c1 ZINC000819860008 1029620827 /nfs/dbraw/zinc/62/08/27/1029620827.db2.gz SBJLTXCDTNAYMX-LLVKDONJSA-N -1 3 318.804 3.627 20 0 DHADHM O=C([N-]c1ncc(-c2ccccc2)s1)c1cc(Cl)no1 ZINC001136302657 1029660576 /nfs/dbraw/zinc/66/05/76/1029660576.db2.gz RXOVYHFEZCPFKH-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000530002156 1029708196 /nfs/dbraw/zinc/70/81/96/1029708196.db2.gz MDXUOMYKGBPDOU-DZGCQCFKSA-N -1 3 319.401 3.588 20 0 DHADHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cccc(C(F)F)c1 ZINC000391291912 1029757232 /nfs/dbraw/zinc/75/72/32/1029757232.db2.gz NNLSRMNVBKEOJQ-INIZCTEOSA-N -1 3 317.335 3.636 20 0 DHADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1ccccc1[O-] ZINC001136571654 1029997262 /nfs/dbraw/zinc/99/72/62/1029997262.db2.gz ZJRYXNNLJOZGFH-UHFFFAOYSA-N -1 3 315.800 3.897 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000794866722 1030016952 /nfs/dbraw/zinc/01/69/52/1030016952.db2.gz VUUJKFMXMYMHLS-RYUDHWBXSA-N -1 3 311.809 3.643 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c1[O-] ZINC000530955248 1030099493 /nfs/dbraw/zinc/09/94/93/1030099493.db2.gz XQTPEOVWOAJAKM-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM Cc1ccc(F)c(OCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533159940 1030161222 /nfs/dbraw/zinc/16/12/22/1030161222.db2.gz GOUSUNVLWJMIPB-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000533160295 1030162043 /nfs/dbraw/zinc/16/20/43/1030162043.db2.gz ZFUQVPZIZZWWGE-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)cc2cccnc21 ZINC000557528618 1030177371 /nfs/dbraw/zinc/17/73/71/1030177371.db2.gz CEATVWYPOQRKCH-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C(Cc1csc(C2CC2)n1)Nc1c([O-])cccc1Cl ZINC000823160975 1030221365 /nfs/dbraw/zinc/22/13/65/1030221365.db2.gz NCKXXYLQYBIWNP-UHFFFAOYSA-N -1 3 308.790 3.561 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@H]2CCc3ccccc32)c([O-])c1 ZINC001136784795 1030411094 /nfs/dbraw/zinc/41/10/94/1030411094.db2.gz DTODKBSXQGLNRO-MRXNPFEDSA-N -1 3 309.409 3.975 20 0 DHADHM Cc1ocnc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000121668055 1030458751 /nfs/dbraw/zinc/45/87/51/1030458751.db2.gz PVDMTRPJYVTVIM-UHFFFAOYSA-N -1 3 302.277 3.847 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000358425831 1030485348 /nfs/dbraw/zinc/48/53/48/1030485348.db2.gz LRBPIJAORMAXKG-INIZCTEOSA-N -1 3 323.389 3.547 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC001136835328 1030492475 /nfs/dbraw/zinc/49/24/75/1030492475.db2.gz SCCBNJSNIGVGPP-JTQLQIEISA-N -1 3 305.324 3.724 20 0 DHADHM CSc1cc(Cl)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000824299911 1030517966 /nfs/dbraw/zinc/51/79/66/1030517966.db2.gz PHJGZPYMCPGGHN-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1cc(Cl)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000824299911 1030517975 /nfs/dbraw/zinc/51/79/75/1030517975.db2.gz PHJGZPYMCPGGHN-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CC(C)c1csc2[n-]c(COc3ccccc3)nc(=O)c12 ZINC000069980234 1030555306 /nfs/dbraw/zinc/55/53/06/1030555306.db2.gz VODBYYRCRIXMCF-UHFFFAOYSA-N -1 3 300.383 3.687 20 0 DHADHM [O-]c1ccc(Nc2csc(Br)n2)c(F)c1F ZINC001212003357 1030633033 /nfs/dbraw/zinc/63/30/33/1030633033.db2.gz YEFGOHADHDSONG-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM CCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001212007666 1030643729 /nfs/dbraw/zinc/64/37/29/1030643729.db2.gz VDGHQNPRDYFJND-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OC/C=C/Cl ZINC000291792816 1030647019 /nfs/dbraw/zinc/64/70/19/1030647019.db2.gz KJPMMUKMQXMDCK-BJMVGYQFSA-N -1 3 324.833 3.809 20 0 DHADHM COc1ccc(C(C)=O)c(Nc2ccc([O-])c(F)c2F)c1C ZINC001212009885 1030650542 /nfs/dbraw/zinc/65/05/42/1030650542.db2.gz WOQKZRYNQPNRIL-UHFFFAOYSA-N -1 3 307.296 3.934 20 0 DHADHM COC(=O)c1cccc(Cl)c1Nc1ccc([O-])c(F)c1F ZINC001212009433 1030650835 /nfs/dbraw/zinc/65/08/35/1030650835.db2.gz NULKSCWLUJMIGT-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CCOC(=O)CCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212013719 1030658634 /nfs/dbraw/zinc/65/86/34/1030658634.db2.gz GLMUNEBFSMJIDQ-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM C[C@H](NCc1cc(COC(C)(C)C)on1)c1cc([O-])cc(F)c1 ZINC000926215428 1030660324 /nfs/dbraw/zinc/66/03/24/1030660324.db2.gz WSMIFUNQLHQKGN-NSHDSACASA-N -1 3 322.380 3.685 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1nc(-c2ccccc2)oc1C ZINC000339084393 1030664720 /nfs/dbraw/zinc/66/47/20/1030664720.db2.gz VWEISVJXVRZBMI-UHFFFAOYSA-N -1 3 311.341 3.761 20 0 DHADHM COc1ccc2ccc(Nc3ccc([O-])c(F)c3F)cc2n1 ZINC001212016158 1030673592 /nfs/dbraw/zinc/67/35/92/1030673592.db2.gz ARQDYQDCWPNNAC-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(Nc2cccc(O)c2Br)c(F)c1F ZINC001212016601 1030676965 /nfs/dbraw/zinc/67/69/65/1030676965.db2.gz XUQZUUMARAOWMR-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCCCCC[C@@](C)(CC)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034280 1030706553 /nfs/dbraw/zinc/70/65/53/1030706553.db2.gz FUIGRPJVPFLMDD-GOSISDBHSA-N -1 3 319.449 3.720 20 0 DHADHM COCCOCc1ccc(N[C@@H](C)c2cc([O-])cc(F)c2)cc1 ZINC000926766549 1030910694 /nfs/dbraw/zinc/91/06/94/1030910694.db2.gz GEAWGEJUUKJLEZ-ZDUSSCGKSA-N -1 3 319.376 3.867 20 0 DHADHM C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)c1cc([O-])cc(F)c1 ZINC000926891150 1030972702 /nfs/dbraw/zinc/97/27/02/1030972702.db2.gz XTGACBGXUIDBQT-QXKQMHMISA-N -1 3 305.324 3.654 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2c(C)cccc2[O-])c1C1CC1 ZINC000626303414 1031093883 /nfs/dbraw/zinc/09/38/83/1031093883.db2.gz ASKAEWOXBOORCS-LBPRGKRZSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1ccc(SCCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871209814 1031160446 /nfs/dbraw/zinc/16/04/46/1031160446.db2.gz GVWZBYUTTNHXBV-UHFFFAOYSA-N -1 3 321.364 3.868 20 0 DHADHM Cc1ccc(CCC(=O)[N-]OCCCC(F)(F)F)c(C)c1 ZINC000871210724 1031159489 /nfs/dbraw/zinc/15/94/89/1031159489.db2.gz XNDZLWQWTVNHJH-UHFFFAOYSA-N -1 3 303.324 3.626 20 0 DHADHM O=C(Cc1csc2ccccc12)[N-]OCCCC(F)(F)F ZINC000871211454 1031162393 /nfs/dbraw/zinc/16/23/93/1031162393.db2.gz KZXDTULAQWROOY-UHFFFAOYSA-N -1 3 317.332 3.834 20 0 DHADHM C[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1cccc(F)c1 ZINC000871213507 1031162632 /nfs/dbraw/zinc/16/26/32/1031162632.db2.gz QTADGJQQZAXTKI-SNVBAGLBSA-N -1 3 307.287 3.710 20 0 DHADHM O=C(Cc1cccc(C(F)F)c1)[N-]OCCCC(F)(F)F ZINC000871215448 1031165577 /nfs/dbraw/zinc/16/55/77/1031165577.db2.gz BWUSGVRETQYELJ-UHFFFAOYSA-N -1 3 311.250 3.557 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000263428185 1031193019 /nfs/dbraw/zinc/19/30/19/1031193019.db2.gz RGJCRGPYOYZNBX-QGZVFWFLSA-N -1 3 317.335 3.830 20 0 DHADHM CCOc1cccc(F)c1CNCCC(C)(C)CCC(=O)[O-] ZINC000871877548 1031369227 /nfs/dbraw/zinc/36/92/27/1031369227.db2.gz MMAMAVVGBBLWDP-UHFFFAOYSA-N -1 3 311.397 3.595 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1F ZINC000844839565 1031375711 /nfs/dbraw/zinc/37/57/11/1031375711.db2.gz YQQIXOQIMGIPKZ-NSHDSACASA-N -1 3 314.332 3.642 20 0 DHADHM C[C@@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1cccc([O-])c1F ZINC000872050456 1031438178 /nfs/dbraw/zinc/43/81/78/1031438178.db2.gz ATFQYIJSPJMHDL-DRONIGIMSA-N -1 3 321.417 3.681 20 0 DHADHM C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc([O-])c1F ZINC000872071436 1031467287 /nfs/dbraw/zinc/46/72/87/1031467287.db2.gz PBUUPFCFEOAFRQ-IAQYHMDHSA-N -1 3 323.795 3.959 20 0 DHADHM C[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000872166981 1031546524 /nfs/dbraw/zinc/54/65/24/1031546524.db2.gz ZCJQLQAOSXZZHQ-AAEUAGOBSA-N -1 3 321.726 3.740 20 0 DHADHM O=C(CCCCC(=O)c1ccc(F)cc1)[N-]OC1CCCC1 ZINC000777818435 1031596309 /nfs/dbraw/zinc/59/63/09/1031596309.db2.gz HCBXDVDRFNDDGN-UHFFFAOYSA-N -1 3 307.365 3.559 20 0 DHADHM O=C([N-]Cc1ccc(Cl)cc1F)C(F)(F)c1ccccc1 ZINC000777830558 1031611100 /nfs/dbraw/zinc/61/11/00/1031611100.db2.gz RZKAFUXOZLVBQX-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM [O-]c1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1Cl ZINC000293861982 1031664172 /nfs/dbraw/zinc/66/41/72/1031664172.db2.gz IJEHGICACIQUMC-ZBFHGGJFSA-N -1 3 307.821 3.579 20 0 DHADHM CSc1cc(F)ccc1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000648620306 1031755951 /nfs/dbraw/zinc/75/59/51/1031755951.db2.gz GBDCTPGPCVEVHL-UHFFFAOYSA-N -1 3 306.362 3.974 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cncc(-c2ccccc2)c1 ZINC001144623621 1031771879 /nfs/dbraw/zinc/77/18/79/1031771879.db2.gz OQRNIJSFFBIXAC-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM CC(C)Cc1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000930423640 1031813305 /nfs/dbraw/zinc/81/33/05/1031813305.db2.gz QXPTZRLOMJDKQQ-UHFFFAOYSA-N -1 3 324.475 3.743 20 0 DHADHM O=C([O-])c1ccsc1CN1CCSC[C@H]1c1ccccc1 ZINC001144678015 1031821608 /nfs/dbraw/zinc/82/16/08/1031821608.db2.gz LTZXGBLTCKUDBR-AWEZNQCLSA-N -1 3 319.451 3.736 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccccc2CC(C)C)n1 ZINC000930661997 1031908542 /nfs/dbraw/zinc/90/85/42/1031908542.db2.gz PXKKMMJGMAYFNQ-UHFFFAOYSA-N -1 3 313.445 3.714 20 0 DHADHM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc2sccc2c([O-])c1 ZINC000846375286 1031970218 /nfs/dbraw/zinc/97/02/18/1031970218.db2.gz OHBKALWVBVNAQM-GFCCVEGCSA-N -1 3 319.426 3.637 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC2(CC2(F)F)CC1 ZINC000846469893 1031987137 /nfs/dbraw/zinc/98/71/37/1031987137.db2.gz XBRYENMYFIVIBX-UHFFFAOYSA-N -1 3 323.364 3.868 20 0 DHADHM [O-]c1cc(F)cc(CN2CC3(CCOCC3)c3ccccc32)c1 ZINC000361653480 1032039918 /nfs/dbraw/zinc/03/99/18/1032039918.db2.gz IIHKWZWCQQIOIQ-UHFFFAOYSA-N -1 3 313.372 3.600 20 0 DHADHM O=C(Cc1ccccc1C(F)(F)F)[N-]OC1CCCCC1 ZINC000777962654 1032046097 /nfs/dbraw/zinc/04/60/97/1032046097.db2.gz VOGIOJGWCNJKAB-UHFFFAOYSA-N -1 3 301.308 3.628 20 0 DHADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC000105971591 1032052672 /nfs/dbraw/zinc/05/26/72/1032052672.db2.gz SHBPKWOSAWULNQ-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)(C)c1cnc(CO[N-]C(=O)CCCc2ccccc2)o1 ZINC000152246658 1033508863 /nfs/dbraw/zinc/50/88/63/1033508863.db2.gz HXBVKKAUSQOTNH-UHFFFAOYSA-N -1 3 316.401 3.543 20 0 DHADHM C[C@@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)[C@@H]1c1ccccc1 ZINC000878166339 1033607725 /nfs/dbraw/zinc/60/77/25/1033607725.db2.gz RRBGRIAQMFPQQN-ACJLOTCBSA-N -1 3 321.380 3.635 20 0 DHADHM CC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(C)cc1 ZINC000878344264 1033666880 /nfs/dbraw/zinc/66/68/80/1033666880.db2.gz AMTHXDUJLGRXKS-MRXNPFEDSA-N -1 3 323.396 3.992 20 0 DHADHM Cc1cccc(C(C)(C)NCc2nnc(-c3ccccc3[O-])o2)c1 ZINC000878365524 1033676371 /nfs/dbraw/zinc/67/63/71/1033676371.db2.gz QILFFNFILCJXIV-UHFFFAOYSA-N -1 3 323.396 3.776 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000878374837 1033680622 /nfs/dbraw/zinc/68/06/22/1033680622.db2.gz JGBFUERBMRSUMU-GOSISDBHSA-N -1 3 321.380 3.683 20 0 DHADHM COc1cc(Nc2cccc([O-])c2Cl)cc(OC)c1OC ZINC001173905555 1033938647 /nfs/dbraw/zinc/93/86/47/1033938647.db2.gz KTCWHRWULXUCCS-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM O=c1[n-]cncc1Nc1ccc(OCc2ccccc2)cc1F ZINC001173965469 1033985624 /nfs/dbraw/zinc/98/56/24/1033985624.db2.gz KAEGAYDSNNNRRJ-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM Cc1ccc2c(c1)scc2C(=O)NCc1ccc([O-])c(F)c1 ZINC000480073176 1034050188 /nfs/dbraw/zinc/05/01/88/1034050188.db2.gz SGPNFYJQGDXTIK-UHFFFAOYSA-N -1 3 315.369 3.984 20 0 DHADHM Cc1c([O-])ccc2c(CSCCC(F)(F)F)cc(=O)oc12 ZINC000794530405 1034092512 /nfs/dbraw/zinc/09/25/12/1034092512.db2.gz LRBCGAGEOKTIFA-UHFFFAOYSA-N -1 3 318.316 3.993 20 0 DHADHM O=c1cc(Nc2cncc3ccccc32)[n-]n1-c1ccccc1 ZINC001174100165 1034110608 /nfs/dbraw/zinc/11/06/08/1034110608.db2.gz QTCJUIVNJOYADT-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)[N-]Oc1ccc(F)cc1 ZINC000898576800 1034116234 /nfs/dbraw/zinc/11/62/34/1034116234.db2.gz SNIBAVJNDYAINI-QGZVFWFLSA-N -1 3 315.344 3.525 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174126012 1034148407 /nfs/dbraw/zinc/14/84/07/1034148407.db2.gz FXMHBUBOKQRQJB-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM [O-]c1cccc2sc(Nc3cnn(Cc4ccccc4)c3)nc21 ZINC001174131128 1034154863 /nfs/dbraw/zinc/15/48/63/1034154863.db2.gz CNNFBNNOYQTBSP-UHFFFAOYSA-N -1 3 322.393 3.990 20 0 DHADHM CC1(C)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000888798875 1034197362 /nfs/dbraw/zinc/19/73/62/1034197362.db2.gz QTCPCOUXMVMMSH-CQSZACIVSA-N -1 3 315.438 3.949 20 0 DHADHM CCN(C)C(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174322676 1034286617 /nfs/dbraw/zinc/28/66/17/1034286617.db2.gz WHKUNRROMNXABE-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM Cn1ncc2ccc(Nc3cccc([O-])c3Br)cc21 ZINC001174342389 1034300343 /nfs/dbraw/zinc/30/03/43/1034300343.db2.gz NXXFUHQSEOHUTR-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM O=c1cc(CSCc2ccnc(Cl)c2)nc(C2CC2)[n-]1 ZINC000842194172 1034321732 /nfs/dbraw/zinc/32/17/32/1034321732.db2.gz XJAKTFUJUZTQMY-UHFFFAOYSA-N -1 3 307.806 3.541 20 0 DHADHM O=c1cc(Nc2ccc3ncsc3c2)[n-]n1-c1ccccc1 ZINC001174365118 1034338918 /nfs/dbraw/zinc/33/89/18/1034338918.db2.gz OGGBNFNEWFMCFJ-UHFFFAOYSA-N -1 3 308.366 3.931 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(Cl)nc1 ZINC000864527694 1034375870 /nfs/dbraw/zinc/37/58/70/1034375870.db2.gz HICMSVUWFRQUFO-HNNXBMFYSA-N -1 3 318.804 3.603 20 0 DHADHM CC(F)(F)c1cc(F)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000880719787 1034411816 /nfs/dbraw/zinc/41/18/16/1034411816.db2.gz HLEKWFYBJQBLHU-GFCCVEGCSA-N -1 3 318.295 3.517 20 0 DHADHM CC(F)(F)c1cc(F)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000880719787 1034411823 /nfs/dbraw/zinc/41/18/23/1034411823.db2.gz HLEKWFYBJQBLHU-GFCCVEGCSA-N -1 3 318.295 3.517 20 0 DHADHM CN1CCc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2C1 ZINC001174497300 1034415779 /nfs/dbraw/zinc/41/57/79/1034415779.db2.gz LTZYBAHRFQCYIK-VMPITWQZSA-N -1 3 308.381 3.516 20 0 DHADHM O=c1cc(Nc2cncc(C(F)(F)F)c2)[n-]n1-c1ccccc1 ZINC001174741506 1034591554 /nfs/dbraw/zinc/59/15/54/1034591554.db2.gz ORWFWCCBJUEFKJ-UHFFFAOYSA-N -1 3 320.274 3.735 20 0 DHADHM CCc1ccc(C(=O)N[C@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001174764046 1034595331 /nfs/dbraw/zinc/59/53/31/1034595331.db2.gz XQRPQCYVOUSFEF-OAHLLOKOSA-N -1 3 305.324 3.534 20 0 DHADHM CCc1c(-c2cccc(C)c2)[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000899359458 1034602805 /nfs/dbraw/zinc/60/28/05/1034602805.db2.gz APTFKEUMUNEYJI-FSDCSDTHSA-N -1 3 314.429 3.524 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000629373467 1034604372 /nfs/dbraw/zinc/60/43/72/1034604372.db2.gz MZBQZYLTKNGIAV-NFAWXSAZSA-N -1 3 311.784 3.554 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn3ccnc3s2)CC)n1 ZINC000899373601 1034618718 /nfs/dbraw/zinc/61/87/18/1034618718.db2.gz VIEQQJBFDJLQRA-DHZHZOJOSA-N -1 3 314.414 3.795 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000881696512 1034677698 /nfs/dbraw/zinc/67/76/98/1034677698.db2.gz BSKBCPABXIPJCR-CYBMUJFWSA-N -1 3 316.426 3.602 20 0 DHADHM CCCCOc1ccccc1[N-]c1snnc1C(=O)OCC ZINC001174999917 1034725898 /nfs/dbraw/zinc/72/58/98/1034725898.db2.gz GFSHMJJWMYZHHT-UHFFFAOYSA-N -1 3 321.402 3.637 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(OC)c1 ZINC001175099502 1034781203 /nfs/dbraw/zinc/78/12/03/1034781203.db2.gz KDPYULSNEJCZCG-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CCOC(=O)c1ccc(OC)cc1Nc1c(F)cc([O-])cc1F ZINC001175100373 1034782290 /nfs/dbraw/zinc/78/22/90/1034782290.db2.gz ZHJWUUSKZHZRBV-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM [O-]c1cc(F)c(Nc2ccc(Cn3ccnc3)cc2)c(F)c1 ZINC001175099631 1034782450 /nfs/dbraw/zinc/78/24/50/1034782450.db2.gz ANUOMVASHSBQHR-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM COc1ccc(Nc2ncc(F)cc2[O-])cc1C(F)(F)F ZINC001175071785 1034794130 /nfs/dbraw/zinc/79/41/30/1034794130.db2.gz RUJZEMVBQJJKLY-UHFFFAOYSA-N -1 3 302.227 3.697 20 0 DHADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)ccc1F ZINC000192737492 1034816869 /nfs/dbraw/zinc/81/68/69/1034816869.db2.gz VCSRPWBLXOCIJI-HZMBPMFUSA-N -1 3 307.344 3.571 20 0 DHADHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)[N-]Oc1ccccc1 ZINC000773463582 1034829986 /nfs/dbraw/zinc/82/99/86/1034829986.db2.gz BEKLOESEGVFSFP-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)c(F)c2)CC)n1 ZINC000193615960 1034848642 /nfs/dbraw/zinc/84/86/42/1034848642.db2.gz UYZQWVKXOHJUKV-WQLSENKSSA-N -1 3 302.349 3.518 20 0 DHADHM O=c1[nH]cc(Nc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001175262873 1034911653 /nfs/dbraw/zinc/91/16/53/1034911653.db2.gz ANOACCCBUMVXNC-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnn(Cc3ccccc3)c2)c1F ZINC001175262855 1034911910 /nfs/dbraw/zinc/91/19/10/1034911910.db2.gz OVJFBOMQWRQUBK-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(Br)cn2)c1F ZINC001175262051 1034912044 /nfs/dbraw/zinc/91/20/44/1034912044.db2.gz ZFBDQTSCGFHKJY-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1ccc(F)c(Nc2csc(Br)n2)c1F ZINC001175263318 1034912435 /nfs/dbraw/zinc/91/24/35/1034912435.db2.gz JAQCAELTUJLFNJ-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM CCOC(=O)c1ccc(C)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268444 1034914137 /nfs/dbraw/zinc/91/41/37/1034914137.db2.gz OBOFIOBWTBJJDZ-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM Cn1cc(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2)cn1 ZINC001175264243 1034914344 /nfs/dbraw/zinc/91/43/44/1034914344.db2.gz DMDOKTUOKXKTTM-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnc(Br)c(F)c2)c1F ZINC001175266163 1034914664 /nfs/dbraw/zinc/91/46/64/1034914664.db2.gz PGBDGDXDNBCEGD-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM COC(=O)c1cc(C)c(C)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270871 1034916694 /nfs/dbraw/zinc/91/66/94/1034916694.db2.gz MJGWAEQGLXFMHF-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM COCCOc1cccc(F)c1Nc1c(F)ccc([O-])c1F ZINC001175271196 1034918611 /nfs/dbraw/zinc/91/86/11/1034918611.db2.gz VAEWXXQLPQPJPN-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM Cc1c(Nc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC001175428469 1034978035 /nfs/dbraw/zinc/97/80/35/1034978035.db2.gz LGCVIFAOLSELSU-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM c1ccc(-c2cncc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC001175428688 1034978560 /nfs/dbraw/zinc/97/85/60/1034978560.db2.gz OFZSESGTXZNJOE-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM COc1ccc(C(C)(C)C)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427953 1034979159 /nfs/dbraw/zinc/97/91/59/1034979159.db2.gz BXCHSSWWYOSPAZ-UHFFFAOYSA-N -1 3 323.400 3.916 20 0 DHADHM Fc1cc(C(F)(F)F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429963 1034981279 /nfs/dbraw/zinc/98/12/79/1034981279.db2.gz XYWWTVHFPBSGQW-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM O=C1CCCCc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001175433151 1034982313 /nfs/dbraw/zinc/98/23/13/1034982313.db2.gz QQLDYLCWGYPAFL-UHFFFAOYSA-N -1 3 319.368 3.519 20 0 DHADHM CC(C)Sc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 ZINC001175626748 1035052842 /nfs/dbraw/zinc/05/28/42/1035052842.db2.gz ULCZPRRBAWCMQA-UHFFFAOYSA-N -1 3 322.455 3.570 20 0 DHADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000482112791 1035058767 /nfs/dbraw/zinc/05/87/67/1035058767.db2.gz IVJZLHPNUNQTDE-UHFFFAOYSA-N -1 3 315.438 3.929 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2ccccc2)c1 ZINC000668030046 1035096480 /nfs/dbraw/zinc/09/64/80/1035096480.db2.gz IUQMNNFTYDJRLK-CYBMUJFWSA-N -1 3 315.438 3.990 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1cccc(N2CCOCC2)c1 ZINC001176018000 1035185741 /nfs/dbraw/zinc/18/57/41/1035185741.db2.gz UPEIGOLAKLYKBK-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cccc2c1OCC2 ZINC001176078846 1035192875 /nfs/dbraw/zinc/19/28/75/1035192875.db2.gz ORQODMZAGYYKJD-UHFFFAOYSA-N -1 3 324.149 3.972 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccc(OC)cc2)c1 ZINC000483182035 1035236847 /nfs/dbraw/zinc/23/68/47/1035236847.db2.gz VGKQBXXFWCDHDB-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc2nonc2c1 ZINC001176328457 1035241176 /nfs/dbraw/zinc/24/11/76/1035241176.db2.gz WIGWMKHWHNDNOR-UHFFFAOYSA-N -1 3 324.109 3.574 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001176465030 1035273850 /nfs/dbraw/zinc/27/38/50/1035273850.db2.gz BVMJUUIAQNRQAB-UHFFFAOYSA-N -1 3 306.312 3.506 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1Cc1ccccc1 ZINC001176704209 1035324400 /nfs/dbraw/zinc/32/44/00/1035324400.db2.gz DCKFCPSOJSSFIC-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM [O-]c1cc(F)c(Nc2ccnn2Cc2ccccc2)cc1F ZINC001176706333 1035324669 /nfs/dbraw/zinc/32/46/69/1035324669.db2.gz BTDOGYKPIBTSNW-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM C[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000904013333 1035346632 /nfs/dbraw/zinc/34/66/32/1035346632.db2.gz CXUQCRYGVLAISO-JTQLQIEISA-N -1 3 324.833 3.806 20 0 DHADHM CC(C)c1nsc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001177128090 1035349299 /nfs/dbraw/zinc/34/92/99/1035349299.db2.gz DDYSZAZXTNGAPV-UHFFFAOYSA-N -1 3 319.411 3.834 20 0 DHADHM CCO[C@@H](c1noc(-c2cccc(OC)c2[O-])n1)C1CCCC1 ZINC000904143981 1035376155 /nfs/dbraw/zinc/37/61/55/1035376155.db2.gz UBLRJEDJKNPKEI-OAHLLOKOSA-N -1 3 318.373 3.719 20 0 DHADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436564435 1035403807 /nfs/dbraw/zinc/40/38/07/1035403807.db2.gz OQWJAWAHJGNPOP-ZDUSSCGKSA-N -1 3 319.401 3.552 20 0 DHADHM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(SC)ccc1[O-] ZINC000668394471 1035407738 /nfs/dbraw/zinc/40/77/38/1035407738.db2.gz MUTJPCJTAIQEFX-CYBMUJFWSA-N -1 3 323.458 3.535 20 0 DHADHM CCNc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC001179712197 1035494406 /nfs/dbraw/zinc/49/44/06/1035494406.db2.gz SWBQDGSOFQCUPS-UHFFFAOYSA-N -1 3 307.353 3.625 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001192964542 1035532534 /nfs/dbraw/zinc/53/25/34/1035532534.db2.gz QPEUOJBCWGNBLS-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1O ZINC000485375590 1035585009 /nfs/dbraw/zinc/58/50/09/1035585009.db2.gz ZAXCUJQBYXZZFG-UHFFFAOYSA-N -1 3 321.163 3.911 20 0 DHADHM Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000535421835 1035618306 /nfs/dbraw/zinc/61/83/06/1035618306.db2.gz SMMANORNMVRPSQ-UHFFFAOYSA-N -1 3 305.761 3.762 20 0 DHADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(OC(C)C)c1 ZINC000190894160 1035644705 /nfs/dbraw/zinc/64/47/05/1035644705.db2.gz QEUKQKGZBUGLHR-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CC1CCC1 ZINC001193514749 1035657197 /nfs/dbraw/zinc/65/71/97/1035657197.db2.gz VHKLIPVUKMNGEW-UHFFFAOYSA-N -1 3 307.337 3.556 20 0 DHADHM CCCCOC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001193713288 1035717865 /nfs/dbraw/zinc/71/78/65/1035717865.db2.gz UFRSXFMQGTWANI-UHFFFAOYSA-N -1 3 309.362 3.696 20 0 DHADHM Cc1cccc(N)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193746734 1035725541 /nfs/dbraw/zinc/72/55/41/1035725541.db2.gz ZMQGTESQAXXSGF-UHFFFAOYSA-N -1 3 310.275 3.554 20 0 DHADHM Cc1ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cc1O ZINC001193745764 1035726709 /nfs/dbraw/zinc/72/67/09/1035726709.db2.gz LZFJNTXTAPCEJY-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM Cc1ccnc2cc(NC(=O)c3c(C)cc(O)cc3[O-])ccc12 ZINC001193935787 1035766315 /nfs/dbraw/zinc/76/63/15/1035766315.db2.gz DOKBXVFDTNDWCX-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1 ZINC000539875939 1035913416 /nfs/dbraw/zinc/91/34/16/1035913416.db2.gz XPKJZUUAYJELCR-UHFFFAOYSA-N -1 3 312.413 3.890 20 0 DHADHM O=S(=O)([N-]C1(C2CC2)CCC1)c1cccc(Cl)c1Cl ZINC001194682355 1035991417 /nfs/dbraw/zinc/99/14/17/1035991417.db2.gz UGMMSQHANFBBBM-UHFFFAOYSA-N -1 3 320.241 3.604 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181823462 1036006571 /nfs/dbraw/zinc/00/65/71/1036006571.db2.gz NCBPOGOSPUXUCO-IBGZPJMESA-N -1 3 318.376 3.752 20 0 DHADHM CC(C)CCOC(=O)Nc1cc(Br)ccc1[O-] ZINC001194871543 1036056066 /nfs/dbraw/zinc/05/60/66/1036056066.db2.gz ILRWTJJSCINFSH-UHFFFAOYSA-N -1 3 302.168 3.749 20 0 DHADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC001194916797 1036075763 /nfs/dbraw/zinc/07/57/63/1036075763.db2.gz JZOOFNGJOLDNLA-VIFPVBQESA-N -1 3 324.273 3.954 20 0 DHADHM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646560624 1036114182 /nfs/dbraw/zinc/11/41/82/1036114182.db2.gz YMWRYSRDUVWXGN-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=c1cc(C=Cc2cccc(Cl)c2)nc(-c2ccncc2)[n-]1 ZINC000486104864 1036130683 /nfs/dbraw/zinc/13/06/83/1036130683.db2.gz VPHOLHZNXLVPQD-SNAWJCMRSA-N -1 3 309.756 3.656 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000907093517 1036141631 /nfs/dbraw/zinc/14/16/31/1036141631.db2.gz XTACDGCZJQEPFU-LLVKDONJSA-N -1 3 309.793 3.724 20 0 DHADHM CCCCN(Cc1ccccc1)C(=O)c1ccc(Cl)[n-]c1=O ZINC001195134806 1036148446 /nfs/dbraw/zinc/14/84/46/1036148446.db2.gz MJNWODWUMQGLRW-UHFFFAOYSA-N -1 3 318.804 3.883 20 0 DHADHM COc1ccc(NC(=S)Nc2c([O-])cccc2Cl)cc1 ZINC001195704825 1036319820 /nfs/dbraw/zinc/31/98/20/1036319820.db2.gz MPLTVWIKVUUJKW-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1occ2ccccc21 ZINC001182502962 1036366141 /nfs/dbraw/zinc/36/61/41/1036366141.db2.gz QQCKDUZDPDGBOR-UHFFFAOYSA-N -1 3 309.321 3.522 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1nc2cnccc2s1 ZINC001182737182 1036442918 /nfs/dbraw/zinc/44/29/18/1036442918.db2.gz WVTVQIGIFHVKQD-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM Cc1ccc2nc([N-]C(=O)c3noc(C(C)(C)C)n3)sc2c1 ZINC001196978802 1036663280 /nfs/dbraw/zinc/66/32/80/1036663280.db2.gz NEXXQIYDTOFMQV-UHFFFAOYSA-N -1 3 316.386 3.538 20 0 DHADHM CC(C)C(=O)Nc1ccc(OC(=O)c2cc3occc3[n-]2)cc1 ZINC000153510788 1036692730 /nfs/dbraw/zinc/69/27/30/1036692730.db2.gz XRGLXATXLCVTSA-UHFFFAOYSA-N -1 3 312.325 3.575 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CC3CCC3)c2)n1 ZINC000492097311 1036744749 /nfs/dbraw/zinc/74/47/49/1036744749.db2.gz VLKUUOOAGQNBLS-KTKRTIGZSA-N -1 3 323.396 3.706 20 0 DHADHM CC(C)[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2O)c2ccccc21 ZINC001184118435 1036750899 /nfs/dbraw/zinc/75/08/99/1036750899.db2.gz WSAHYXCIVJNQOT-GJZGRUSLSA-N -1 3 311.381 3.712 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1 ZINC000910359837 1036844529 /nfs/dbraw/zinc/84/45/29/1036844529.db2.gz LLUZZMZTSJCXBT-ZDUSSCGKSA-N -1 3 308.303 3.580 20 0 DHADHM Cc1ccc(NC(=S)Nc2ncc([O-])cc2Cl)c(C)c1 ZINC001197970158 1036921862 /nfs/dbraw/zinc/92/18/62/1036921862.db2.gz CPMLVELTZWLAAD-UHFFFAOYSA-N -1 3 307.806 3.866 20 0 DHADHM Cc1noc(C)c1NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001185183572 1037059750 /nfs/dbraw/zinc/05/97/50/1037059750.db2.gz RQZHFYRARNJXHN-UHFFFAOYSA-N -1 3 315.251 3.660 20 0 DHADHM Cc1ncc(Nc2cc(Br)cc(F)c2[O-])s1 ZINC001212141929 1037136488 /nfs/dbraw/zinc/13/64/88/1037136488.db2.gz RJBTUQDIVRLGEU-UHFFFAOYSA-N -1 3 303.156 3.802 20 0 DHADHM O=C(Nc1ccc2c(c1)CCC2)Nc1ncc([O-])cc1Cl ZINC001185735244 1037222293 /nfs/dbraw/zinc/22/22/93/1037222293.db2.gz CGTDVFVKYMJCQY-UHFFFAOYSA-N -1 3 303.749 3.573 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001185801232 1037239558 /nfs/dbraw/zinc/23/95/58/1037239558.db2.gz FBXJGRCGEQZVQA-UHFFFAOYSA-N -1 3 320.389 3.597 20 0 DHADHM CC(C)Nc1cccc(F)c1[N-]C(=O)c1ocnc1C(F)F ZINC000911931687 1037251850 /nfs/dbraw/zinc/25/18/50/1037251850.db2.gz BOXBOFOHMAQTDV-UHFFFAOYSA-N -1 3 313.279 3.824 20 0 DHADHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC001185909798 1037265776 /nfs/dbraw/zinc/26/57/76/1037265776.db2.gz ZDHWEASFNCQHFM-WDEREUQCSA-N -1 3 319.829 3.584 20 0 DHADHM CCOC(=O)c1c(-c2ccco2)csc1[N-]c1cnoc1 ZINC001203232251 1037284780 /nfs/dbraw/zinc/28/47/80/1037284780.db2.gz BWSZLLDIGISYFU-UHFFFAOYSA-N -1 3 304.327 3.916 20 0 DHADHM O=C(C[C@@H]1CCc2cc(F)ccc2C1)Nc1ccc(F)c([O-])c1 ZINC001186159475 1037328847 /nfs/dbraw/zinc/32/88/47/1037328847.db2.gz JSZSQDQNOLDQED-LLVKDONJSA-N -1 3 317.335 3.804 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]C2(C)CCC(C)CC2)c(F)cc1F ZINC001186369359 1037375281 /nfs/dbraw/zinc/37/52/81/1037375281.db2.gz MRQYVTOTYKDIIO-UHFFFAOYSA-N -1 3 317.401 3.520 20 0 DHADHM CC(=O)c1cccc(NC(=O)N[C@H](C)C2CCCCC2)c1[O-] ZINC001186344547 1037381216 /nfs/dbraw/zinc/38/12/16/1037381216.db2.gz LEDHRYZDUZCCKB-LLVKDONJSA-N -1 3 304.390 3.685 20 0 DHADHM C[C@@H]1C[C@H](C)CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000915875793 1037386214 /nfs/dbraw/zinc/38/62/14/1037386214.db2.gz XECQLAHRWKPAMY-PHIMTYICSA-N -1 3 321.804 3.630 20 0 DHADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000668981850 1037453550 /nfs/dbraw/zinc/45/35/50/1037453550.db2.gz DSBIJSUDTLKTTH-HNNXBMFYSA-N -1 3 316.426 3.732 20 0 DHADHM COc1ccc(C)cc1CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000489633871 1037499470 /nfs/dbraw/zinc/49/94/70/1037499470.db2.gz CALLFCCMZFQFSP-LBPRGKRZSA-N -1 3 304.415 3.802 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(Br)c2)n1 ZINC001187433447 1037640442 /nfs/dbraw/zinc/64/04/42/1037640442.db2.gz NRSXTAYNKFFVJM-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM CC(C)Oc1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1Cl ZINC001201385069 1037646462 /nfs/dbraw/zinc/64/64/62/1037646462.db2.gz WTXHTMIOBKGGAJ-UHFFFAOYSA-N -1 3 320.776 3.675 20 0 DHADHM O=C(OCc1ccc(F)cc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000913298403 1037792569 /nfs/dbraw/zinc/79/25/69/1037792569.db2.gz KDSPPTMEXWOSLL-UHFFFAOYSA-N -1 3 320.707 3.819 20 0 DHADHM O=C(OCc1ccc(F)cc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000913298403 1037792586 /nfs/dbraw/zinc/79/25/86/1037792586.db2.gz KDSPPTMEXWOSLL-UHFFFAOYSA-N -1 3 320.707 3.819 20 0 DHADHM O=C(Cc1coc2c1ccc(Cl)c2Cl)[N-]OCC(F)F ZINC000867408415 1037928249 /nfs/dbraw/zinc/92/82/49/1037928249.db2.gz CYBJZXDUGORYBO-UHFFFAOYSA-N -1 3 324.110 3.595 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2c(C)cccc2[O-])cc1Cl ZINC001188648083 1037943095 /nfs/dbraw/zinc/94/30/95/1037943095.db2.gz BLHNYHFQIUKMRB-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC001188660255 1037948026 /nfs/dbraw/zinc/94/80/26/1037948026.db2.gz XIYWBLNBIYQINN-ZDUSSCGKSA-N -1 3 321.380 3.582 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001188638015 1037954042 /nfs/dbraw/zinc/95/40/42/1037954042.db2.gz GIWARFTVOYCQIV-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM C[C@H](Sc1ccccn1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000152588356 1038096349 /nfs/dbraw/zinc/09/63/49/1038096349.db2.gz BRFPSSGTITWTLR-VIFPVBQESA-N -1 3 308.790 3.560 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC2(C)CC2)c1Cl ZINC001189970058 1038235751 /nfs/dbraw/zinc/23/57/51/1038235751.db2.gz BDEBEOATDIISIW-UHFFFAOYSA-N -1 3 322.257 3.770 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C(C)(F)F)cc1 ZINC001190516278 1038331490 /nfs/dbraw/zinc/33/14/90/1038331490.db2.gz BUMFLYLVBDNHLN-UHFFFAOYSA-N -1 3 319.307 3.959 20 0 DHADHM Cc1cc(C)cc([C@H]2CCN([C@H](C(=O)[O-])c3ccsc3)C2)c1 ZINC000572848754 1038513452 /nfs/dbraw/zinc/51/34/52/1038513452.db2.gz YGDCZTDNYNPPHX-YOEHRIQHSA-N -1 3 315.438 3.980 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000589689164 1038532022 /nfs/dbraw/zinc/53/20/22/1038532022.db2.gz NYFZJNPYZLSVCZ-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CCCC(F)(F)CC2)c([O-])c1 ZINC001192314418 1038625746 /nfs/dbraw/zinc/62/57/46/1038625746.db2.gz OYVPWTBLHIJWNH-UHFFFAOYSA-N -1 3 311.372 3.951 20 0 DHADHM COC(C)(C)[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322477 1038629114 /nfs/dbraw/zinc/62/91/14/1038629114.db2.gz AAPFCDAITCVFHL-MRXNPFEDSA-N -1 3 319.445 3.719 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@H]2CCCc3cccnc32)c([O-])c1 ZINC001192335992 1038629262 /nfs/dbraw/zinc/62/92/62/1038629262.db2.gz QNUMAGPIEMTFGE-INIZCTEOSA-N -1 3 324.424 3.892 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])C(F)(F)F ZINC001192340013 1038633815 /nfs/dbraw/zinc/63/38/15/1038633815.db2.gz NKKCZKCDIHGMAR-GFCCVEGCSA-N -1 3 303.324 3.760 20 0 DHADHM CCc1ccc(C(=O)NC2CCC(CSC)CC2)c([O-])c1 ZINC000598792834 1038877537 /nfs/dbraw/zinc/87/75/37/1038877537.db2.gz UGRVJYYQGVFYIU-UHFFFAOYSA-N -1 3 307.459 3.606 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000166726156 1038879796 /nfs/dbraw/zinc/87/97/96/1038879796.db2.gz OBBBWBAXCASQKP-KHPPLWFESA-N -1 3 323.801 3.761 20 0 DHADHM Cc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3)cs2)o1 ZINC000046216611 1039197630 /nfs/dbraw/zinc/19/76/30/1039197630.db2.gz SZMXYUJMEOYQRC-UHFFFAOYSA-N -1 3 315.350 3.774 20 0 DHADHM C[C@@H](CSCCNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000592460310 1039209296 /nfs/dbraw/zinc/20/92/96/1039209296.db2.gz BXMODZVNBPXUKH-VIFPVBQESA-N -1 3 322.257 3.537 20 0 DHADHM C[C@@H](CSCCNCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000592460780 1039210279 /nfs/dbraw/zinc/21/02/79/1039210279.db2.gz AYLKXTGSOJXLPN-VIFPVBQESA-N -1 3 322.257 3.537 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000230406186 1039779601 /nfs/dbraw/zinc/77/96/01/1039779601.db2.gz CDINNZVJECWPGL-UHFFFAOYSA-N -1 3 324.833 3.797 20 0 DHADHM CC/C=C(/C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000063931998 1040607547 /nfs/dbraw/zinc/60/75/47/1040607547.db2.gz FTLXFGRABIWHDG-DMEOUFDRSA-N -1 3 320.414 3.562 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(CSC)cc2)c1 ZINC000608953892 1040659064 /nfs/dbraw/zinc/65/90/64/1040659064.db2.gz QFMANEJLMOHHKT-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(OC2CCC2)cc1 ZINC000534209408 1040746347 /nfs/dbraw/zinc/74/63/47/1040746347.db2.gz UDYOFORNZQWDNO-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000456664010 1040889599 /nfs/dbraw/zinc/88/95/99/1040889599.db2.gz QJFKXAMLEMPMAG-MRXNPFEDSA-N -1 3 307.409 3.939 20 0 DHADHM Cc1sc2[n-]c(CO[C@@H]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000070694302 190912532 /nfs/dbraw/zinc/91/25/32/190912532.db2.gz VWPMAKBPZCFTOZ-BXKDBHETSA-N -1 3 306.431 3.697 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cccc(Cl)c2F)s1 ZINC000150740769 186061983 /nfs/dbraw/zinc/06/19/83/186061983.db2.gz IUWAYKUUNQMQSM-UHFFFAOYSA-N -1 3 313.785 3.781 20 0 DHADHM Cc1ccc(NC(=O)COc2ccc3ccccc3c2)c([O-])c1 ZINC000003569985 181036376 /nfs/dbraw/zinc/03/63/76/181036376.db2.gz PQQRAERXNULVPW-UHFFFAOYSA-N -1 3 307.349 3.871 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000417560083 334980466 /nfs/dbraw/zinc/98/04/66/334980466.db2.gz JLGFXQFLKQGQSA-GOSISDBHSA-N -1 3 313.397 3.536 20 0 DHADHM Cc1cc(F)c(CNCCCC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000417568688 334989066 /nfs/dbraw/zinc/98/90/66/334989066.db2.gz QATQOLDBHMDDQV-UHFFFAOYSA-N -1 3 301.789 3.768 20 0 DHADHM CSc1ccsc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182700994 335001909 /nfs/dbraw/zinc/00/19/09/335001909.db2.gz VQOUWZGWKNFASP-UHFFFAOYSA-N -1 3 322.459 3.819 20 0 DHADHM O=C([O-])C1(CNCc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000417600225 335003143 /nfs/dbraw/zinc/00/31/43/335003143.db2.gz CYPGCPULZNHMOT-UHFFFAOYSA-N -1 3 305.761 3.554 20 0 DHADHM C[C@H](NCc1ccc(-c2ccccc2)cc1F)[C@H](C)C(=O)[O-] ZINC000417600640 335003145 /nfs/dbraw/zinc/00/31/45/335003145.db2.gz DMCJQMSRADVOCT-STQMWFEESA-N -1 3 301.361 3.692 20 0 DHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1cccc(Cl)c1F ZINC000417610865 335010677 /nfs/dbraw/zinc/01/06/77/335010677.db2.gz OABRQPVVFSUWSN-CQSZACIVSA-N -1 3 313.800 3.992 20 0 DHADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000424982176 335013581 /nfs/dbraw/zinc/01/35/81/335013581.db2.gz HYOGAVZOIPHVPU-JTQLQIEISA-N -1 3 311.303 3.545 20 0 DHADHM O=C([O-])C[C@@H](CNCc1ccc(C2CCC2)cc1)C(F)(F)F ZINC000417622680 335017891 /nfs/dbraw/zinc/01/78/91/335017891.db2.gz ILNQGBLXVCIQJK-AWEZNQCLSA-N -1 3 315.335 3.697 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000016965629 182066424 /nfs/dbraw/zinc/06/64/24/182066424.db2.gz OGGLNKNEDFTPEN-UHFFFAOYSA-N -1 3 317.748 3.845 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Br)cc2)c1[O-] ZINC000019807268 182152911 /nfs/dbraw/zinc/15/29/11/182152911.db2.gz UPWCEKVQIKIAFQ-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CC(C)[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442929281 338439810 /nfs/dbraw/zinc/43/98/10/338439810.db2.gz CYLARODKHDAJJV-SECBINFHSA-N -1 3 305.296 3.912 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2cnc(CCC)s2)s1 ZINC000152100017 196771183 /nfs/dbraw/zinc/77/11/83/196771183.db2.gz IXZNPQIEGMWBHD-UHFFFAOYSA-N -1 3 324.475 3.932 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(F)c1 ZINC000274374873 130229818 /nfs/dbraw/zinc/22/98/18/130229818.db2.gz LHCGOLBAKGNFRT-LLVKDONJSA-N -1 3 315.344 3.694 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc(Cl)n1 ZINC000275097185 130291272 /nfs/dbraw/zinc/29/12/72/130291272.db2.gz BQSOYGYOTJVOSM-JTQLQIEISA-N -1 3 316.788 3.903 20 0 DHADHM CC(C)CSCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281056032 130834290 /nfs/dbraw/zinc/83/42/90/130834290.db2.gz BXTXWKMWRFPXHV-UHFFFAOYSA-N -1 3 321.364 3.530 20 0 DHADHM CC(C)Oc1ccc(NC([O-])=NOC/C=C/Cl)cc1Cl ZINC000289439743 131386439 /nfs/dbraw/zinc/38/64/39/131386439.db2.gz ANGLAHSMZUVMLF-ZZXKWVIFSA-N -1 3 319.188 3.933 20 0 DHADHM CC(C)Oc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1Cl ZINC000289439743 131386440 /nfs/dbraw/zinc/38/64/40/131386440.db2.gz ANGLAHSMZUVMLF-ZZXKWVIFSA-N -1 3 319.188 3.933 20 0 DHADHM CCOc1ccc(NC([O-])=NOC/C=C/Cl)cc1Cl ZINC000289444317 131387153 /nfs/dbraw/zinc/38/71/53/131387153.db2.gz BAHZVDRLXGAIIS-ZZXKWVIFSA-N -1 3 305.161 3.544 20 0 DHADHM CCOc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1Cl ZINC000289444317 131387154 /nfs/dbraw/zinc/38/71/54/131387154.db2.gz BAHZVDRLXGAIIS-ZZXKWVIFSA-N -1 3 305.161 3.544 20 0 DHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000340316856 131387833 /nfs/dbraw/zinc/38/78/33/131387833.db2.gz YEXAZUSSBMYWDN-UHFFFAOYSA-N -1 3 308.378 3.747 20 0 DHADHM Cc1ccc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000292281597 131638961 /nfs/dbraw/zinc/63/89/61/131638961.db2.gz IDHJTGWCOBLWLJ-BDJLRTHQSA-N -1 3 317.410 3.651 20 0 DHADHM O=C([N-]OCC1CC1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000297188878 132003765 /nfs/dbraw/zinc/00/37/65/132003765.db2.gz WYPSEHVYURMBQO-UHFFFAOYSA-N -1 3 308.687 3.822 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1c(C)noc1-c1ccccc1 ZINC000297318568 132009411 /nfs/dbraw/zinc/00/94/11/132009411.db2.gz XXBZHEGOIDMCEQ-LLVKDONJSA-N -1 3 303.362 3.749 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000297318568 132009412 /nfs/dbraw/zinc/00/94/12/132009412.db2.gz XXBZHEGOIDMCEQ-LLVKDONJSA-N -1 3 303.362 3.749 20 0 DHADHM Cc1cccc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)c1C ZINC000298800534 132078227 /nfs/dbraw/zinc/07/82/27/132078227.db2.gz DXRYEUKWYYALGG-GFCCVEGCSA-N -1 3 313.426 3.865 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)c1 ZINC000298981821 132085354 /nfs/dbraw/zinc/08/53/54/132085354.db2.gz PLUFYDPCJAVDIV-GFCCVEGCSA-N -1 3 313.426 3.865 20 0 DHADHM O=c1nc(-c2cscn2)[n-]c2sc3c(c21)CCCCC3 ZINC000299041801 132086934 /nfs/dbraw/zinc/08/69/34/132086934.db2.gz NJJSTTAFDHWJSE-UHFFFAOYSA-N -1 3 303.412 3.789 20 0 DHADHM Cc1ncccc1CN[C@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000340672579 132139941 /nfs/dbraw/zinc/13/99/41/132139941.db2.gz BMGAXLLDSDNGIT-FXAWDEMLSA-N -1 3 324.424 3.603 20 0 DHADHM O=C([O-])C1(NCc2csc(-c3ccsc3)n2)CCCCC1 ZINC000340671594 132140674 /nfs/dbraw/zinc/14/06/74/132140674.db2.gz CPBRJVFUVMUGNN-UHFFFAOYSA-N -1 3 322.455 3.749 20 0 DHADHM COc1cc(C(=O)N(Cc2ccccc2)CC(C)C)ccc1[O-] ZINC000442945077 338439903 /nfs/dbraw/zinc/43/99/03/338439903.db2.gz VVMGUEXSWZSVEE-UHFFFAOYSA-N -1 3 313.397 3.699 20 0 DHADHM COc1cc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)ccc1[O-] ZINC000442952995 338439997 /nfs/dbraw/zinc/43/99/97/338439997.db2.gz MOKRWJAZYAGINT-ZFWWWQNUSA-N -1 3 305.418 3.736 20 0 DHADHM CCCCc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n[nH]1 ZINC000471315217 429711686 /nfs/dbraw/zinc/71/16/86/429711686.db2.gz PTSDOLQTWJEUAW-UHFFFAOYSA-N -1 3 319.380 3.558 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(C)c(F)c3)no2)c1[O-] ZINC000109036854 331504461 /nfs/dbraw/zinc/50/44/61/331504461.db2.gz IECQJHZNLQFSTM-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccnc1C(F)(F)F ZINC000179916080 331550590 /nfs/dbraw/zinc/55/05/90/331550590.db2.gz MALWBSORKWNKER-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000556894296 331749741 /nfs/dbraw/zinc/74/97/41/331749741.db2.gz UOVOSAYFVUGLGQ-QGZVFWFLSA-N -1 3 311.381 3.973 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C)CC3)c2)n1 ZINC000557615851 331802767 /nfs/dbraw/zinc/80/27/67/331802767.db2.gz XIJSPOXMCUOSIZ-UHFFFAOYSA-N -1 3 311.385 3.540 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c1 ZINC000557737393 331812684 /nfs/dbraw/zinc/81/26/84/331812684.db2.gz WMOOYTDXILXRRI-DYVFJYSZSA-N -1 3 311.381 3.624 20 0 DHADHM CCc1cc(C(=O)Nc2cc(OC)ccc2Cl)ccc1[O-] ZINC000558916929 331957881 /nfs/dbraw/zinc/95/78/81/331957881.db2.gz KQJSFVDRRMUVGQ-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1 ZINC000090538177 332005334 /nfs/dbraw/zinc/00/53/34/332005334.db2.gz YCCXNQCPAJQTHS-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ocnc1C1CC1 ZINC000569392709 332074424 /nfs/dbraw/zinc/07/44/24/332074424.db2.gz WTQKORMQVTWURH-UHFFFAOYSA-N -1 3 312.247 3.529 20 0 DHADHM Cc1ccc([C@@H](CC(=O)[O-])NC/C=C\c2ccc(F)cc2)o1 ZINC000426776681 332123325 /nfs/dbraw/zinc/12/33/25/332123325.db2.gz HBTPFJNAMFDFNT-MPNWYJEXSA-N -1 3 303.333 3.546 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000426808265 332151908 /nfs/dbraw/zinc/15/19/08/332151908.db2.gz QYBONZZDPOSAAL-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000426790852 332153941 /nfs/dbraw/zinc/15/39/41/332153941.db2.gz GCMPIAOPWDHDBZ-AWEZNQCLSA-N -1 3 318.442 3.789 20 0 DHADHM CCC[C@@H](C)C[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426792326 332154261 /nfs/dbraw/zinc/15/42/61/332154261.db2.gz IXGPYDFBRUOJBF-YGRLFVJLSA-N -1 3 301.789 3.848 20 0 DHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000426794378 332154551 /nfs/dbraw/zinc/15/45/51/332154551.db2.gz ULCTVHXFQHOGKG-AWEZNQCLSA-N -1 3 318.442 3.789 20 0 DHADHM O=c1[n-]c(CN2C[C@@H]3CCCC[C@H]3C2)nc2c3ccccc3oc21 ZINC000426797240 332154759 /nfs/dbraw/zinc/15/47/59/332154759.db2.gz AQRWNTBHDGFHNX-STQMWFEESA-N -1 3 323.396 3.704 20 0 DHADHM CC1(C)C[C@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426838882 332156764 /nfs/dbraw/zinc/15/67/64/332156764.db2.gz WPAYPXKOBACFLP-QMMMGPOBSA-N -1 3 309.822 3.568 20 0 DHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426812105 332157107 /nfs/dbraw/zinc/15/71/07/332157107.db2.gz PMOPOMBZHKPQAC-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM CCSc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426817233 332157269 /nfs/dbraw/zinc/15/72/69/332157269.db2.gz OETBOAFVYBKNLT-INIZCTEOSA-N -1 3 319.401 3.853 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000426821619 332157921 /nfs/dbraw/zinc/15/79/21/332157921.db2.gz VHZTXXJUAJHYSM-KRWDZBQOSA-N -1 3 312.344 3.613 20 0 DHADHM COc1cc(Cl)c(CN[C@@H](CC(=O)[O-])C(C)C)cc1Cl ZINC000426825251 332158334 /nfs/dbraw/zinc/15/83/34/332158334.db2.gz ADXCMFIEQLXCLH-LBPRGKRZSA-N -1 3 320.216 3.591 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000427203537 332183680 /nfs/dbraw/zinc/18/36/80/332183680.db2.gz HGIXBLJKIFOJPW-AWEZNQCLSA-N -1 3 312.413 3.713 20 0 DHADHM COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000533880344 332231659 /nfs/dbraw/zinc/23/16/59/332231659.db2.gz APLSNDDPGUGPAJ-UHFFFAOYSA-N -1 3 322.364 3.957 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1[nH]c2ccccc2c1Cl ZINC000536463642 332249608 /nfs/dbraw/zinc/24/96/08/332249608.db2.gz RXIPZMWROYKZOT-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM COc1ccc(CN(Cc2ncccc2[O-])[C@@H](C)C2CC2)cc1 ZINC000583348506 332345086 /nfs/dbraw/zinc/34/50/86/332345086.db2.gz SFICJWKBHIPYSR-AWEZNQCLSA-N -1 3 312.413 3.597 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCc2ccc(C)s2)c1[O-] ZINC000560550044 332358381 /nfs/dbraw/zinc/35/83/81/332358381.db2.gz HWEPOODYGRWOBX-UHFFFAOYSA-N -1 3 317.410 3.926 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1[O-] ZINC000560549558 332358412 /nfs/dbraw/zinc/35/84/12/332358412.db2.gz GBNWOFXMQXMUHT-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000560598921 332367571 /nfs/dbraw/zinc/36/75/71/332367571.db2.gz ZBAUWKIEMZBTIY-SFYZADRCSA-N -1 3 307.699 3.963 20 0 DHADHM Cc1cc(-c2csc(NC(=O)c3cccc([O-])c3)n2)c(C)o1 ZINC000583400191 332388179 /nfs/dbraw/zinc/38/81/79/332388179.db2.gz WZXJNWXDXPEZMO-UHFFFAOYSA-N -1 3 314.366 3.978 20 0 DHADHM O=C(CCOCc1ccccc1)Nc1c([O-])cccc1Cl ZINC000560822097 332388600 /nfs/dbraw/zinc/38/86/00/332388600.db2.gz XVYDVDGBOBGQLF-UHFFFAOYSA-N -1 3 305.761 3.591 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc3c2OCO3)CC)n1 ZINC000560871210 332391032 /nfs/dbraw/zinc/39/10/32/332391032.db2.gz YVOBCOUJQFLFOR-XFXZXTDPSA-N -1 3 312.369 3.814 20 0 DHADHM CCc1nc(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000408271197 332423978 /nfs/dbraw/zinc/42/39/78/332423978.db2.gz ZFBQXPHADMRAGL-JTQLQIEISA-N -1 3 316.426 3.874 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c([O-])c1 ZINC000176653058 332950713 /nfs/dbraw/zinc/95/07/13/332950713.db2.gz VLGVRUJBRLKOIG-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM [O-]c1ccc(CCCc2nc(-c3ccsc3)no2)cc1F ZINC000526055147 333036527 /nfs/dbraw/zinc/03/65/27/333036527.db2.gz MZZRZSPYKZDJTO-UHFFFAOYSA-N -1 3 304.346 3.818 20 0 DHADHM CN(CCc1cccs1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182896314 333048740 /nfs/dbraw/zinc/04/87/40/333048740.db2.gz XRKSVYYTQUBBAX-UHFFFAOYSA-N -1 3 315.438 3.647 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)cc3)n2)cc1 ZINC000314012517 333082302 /nfs/dbraw/zinc/08/23/02/333082302.db2.gz GSRSOBJHVWNXFU-UHFFFAOYSA-N -1 3 304.252 3.711 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000460823711 333144828 /nfs/dbraw/zinc/14/48/28/333144828.db2.gz LBOUBZQPAKPFFG-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM CC[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000580319442 333146525 /nfs/dbraw/zinc/14/65/25/333146525.db2.gz LUTIJFVFVTXEED-RNCFNFMXSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC2CC2)c1Cl ZINC000497227325 333224459 /nfs/dbraw/zinc/22/44/59/333224459.db2.gz IIDPAHDEXFCKFP-VIFPVBQESA-N -1 3 322.257 3.769 20 0 DHADHM CCOc1ccc(OCC)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000390350975 333271011 /nfs/dbraw/zinc/27/10/11/333271011.db2.gz YTYKERCKTYQZBL-UHFFFAOYSA-N -1 3 315.369 3.750 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000499687630 333297741 /nfs/dbraw/zinc/29/77/41/333297741.db2.gz XXQWAKZYQPKVFK-OAHLLOKOSA-N -1 3 313.422 3.922 20 0 DHADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000531195831 333330076 /nfs/dbraw/zinc/33/00/76/333330076.db2.gz JAMDMJRBMPSZBQ-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000531373985 333346879 /nfs/dbraw/zinc/34/68/79/333346879.db2.gz RVYGQZVFZBQLDA-HNAYVOBHSA-N -1 3 311.356 3.764 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Br)o3)no2)c1 ZINC000184876520 333367662 /nfs/dbraw/zinc/36/76/62/333367662.db2.gz MQECQVQWSNCKNO-UHFFFAOYSA-N -1 3 321.130 3.773 20 0 DHADHM COc1cccc(C(=O)Nc2ccccc2CSC)c1[O-] ZINC000186069644 333371992 /nfs/dbraw/zinc/37/19/92/333371992.db2.gz JVRKRPSECPSNGJ-UHFFFAOYSA-N -1 3 303.383 3.516 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000522778557 333389547 /nfs/dbraw/zinc/38/95/47/333389547.db2.gz GWTFOHIPUWZSIT-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CC(C)(CCCNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426642213 333511124 /nfs/dbraw/zinc/51/11/24/333511124.db2.gz GIHUIMPCMRYPEL-UHFFFAOYSA-N -1 3 318.442 3.791 20 0 DHADHM O=C([O-])[C@@H]1CC12CCN(C/C=C\c1ccc(Cl)cc1)CC2 ZINC000563277555 333518513 /nfs/dbraw/zinc/51/85/13/333518513.db2.gz SMKZPNIEBHWIRU-OYADATRGSA-N -1 3 305.805 3.540 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1 ZINC000447266635 333525859 /nfs/dbraw/zinc/52/58/59/333525859.db2.gz XUTCXAMFTKRSQC-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2ccc(N(C)C)c(F)c2)c1[O-] ZINC000533971482 333552465 /nfs/dbraw/zinc/55/24/65/333552465.db2.gz GTCAROYRIUTDDK-UHFFFAOYSA-N -1 3 322.767 3.811 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1[O-] ZINC000411890796 333710535 /nfs/dbraw/zinc/71/05/35/333710535.db2.gz JJYKHZYYJYNVMN-UHFFFAOYSA-N -1 3 315.413 3.781 20 0 DHADHM Cc1cc(C(=O)N2CCc3sc(Cl)cc3C2)ccc1[O-] ZINC000571524804 333814698 /nfs/dbraw/zinc/81/46/98/333814698.db2.gz DBUGXKPRKKCQPP-UHFFFAOYSA-N -1 3 307.802 3.614 20 0 DHADHM Nc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000413002208 333824817 /nfs/dbraw/zinc/82/48/17/333824817.db2.gz UDHHMIMAYMDKAR-UHFFFAOYSA-N -1 3 307.806 3.588 20 0 DHADHM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000413715464 333868668 /nfs/dbraw/zinc/86/86/68/333868668.db2.gz RODPWUUWYLVNNO-CXAGYDPISA-N -1 3 317.429 3.970 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c([O-])c1C ZINC000436759035 333997866 /nfs/dbraw/zinc/99/78/66/333997866.db2.gz QNHLIKMDJAYUHX-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM Cc1cc(OCc2nc(-c3ccc([O-])cc3)no2)ccc1Cl ZINC000436765934 333998422 /nfs/dbraw/zinc/99/84/22/333998422.db2.gz AGVJOTGDHIGPJC-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3F)n2)cc1 ZINC000436872763 334013961 /nfs/dbraw/zinc/01/39/61/334013961.db2.gz UYZKCEHGFRZHPV-ZIAGYGMSSA-N -1 3 314.291 3.992 20 0 DHADHM CC(C)(O)c1nnc([N-]Cc2cc(-c3ccccc3)cs2)o1 ZINC000276408865 334077414 /nfs/dbraw/zinc/07/74/14/334077414.db2.gz GTXRTMURAWCZOW-UHFFFAOYSA-N -1 3 315.398 3.638 20 0 DHADHM CCSCC[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276549706 334081502 /nfs/dbraw/zinc/08/15/02/334081502.db2.gz HQHPTVVYZZHGKP-SECBINFHSA-N -1 3 321.364 3.673 20 0 DHADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)c(CN(C)C)c1 ZINC000280935261 334121331 /nfs/dbraw/zinc/12/13/31/334121331.db2.gz HJKOHODMDRCBFQ-UHFFFAOYSA-N -1 3 306.356 3.653 20 0 DHADHM C[C@]1(F)CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295462120 334223480 /nfs/dbraw/zinc/22/34/80/334223480.db2.gz HDNYBJLHKKSPRY-IBGZPJMESA-N -1 3 315.388 3.829 20 0 DHADHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CCCC1 ZINC000187516393 334264729 /nfs/dbraw/zinc/26/47/29/334264729.db2.gz QABSSTVBKLCROT-UHFFFAOYSA-N -1 3 323.392 3.638 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(F)c1 ZINC000048653208 334290933 /nfs/dbraw/zinc/29/09/33/334290933.db2.gz UQTGHEHILFVURQ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM CC1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000049239982 334323803 /nfs/dbraw/zinc/32/38/03/334323803.db2.gz IXJNMQXZLGICNA-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM CO[C@@](C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000534710004 334331495 /nfs/dbraw/zinc/33/14/95/334331495.db2.gz ORENKUSQZDDUCL-MRXNPFEDSA-N -1 3 305.761 3.546 20 0 DHADHM Cc1cccc(-c2nc(Cc3cccc(Cl)c3)no2)c1[O-] ZINC000111687595 334353570 /nfs/dbraw/zinc/35/35/70/334353570.db2.gz PIRBTLFLJQCREN-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccsc2)cc1C ZINC000341217103 334418591 /nfs/dbraw/zinc/41/85/91/334418591.db2.gz RIMPKHUJVJRLAK-UHFFFAOYSA-N -1 3 317.819 3.519 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCCS1 ZINC000341614262 334462011 /nfs/dbraw/zinc/46/20/11/334462011.db2.gz SNWNTWJHHJJZHX-NSHDSACASA-N -1 3 305.321 3.635 20 0 DHADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ncccc2[O-])c1 ZINC000341895230 334492889 /nfs/dbraw/zinc/49/28/89/334492889.db2.gz ZDMVZQNMLKBLII-UHFFFAOYSA-N -1 3 314.385 3.627 20 0 DHADHM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)[C@H]1C ZINC000416327898 334660860 /nfs/dbraw/zinc/66/08/60/334660860.db2.gz YVVRGAOLJIVNJA-BBBLOLIVSA-N -1 3 301.308 3.528 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2[O-])CCO1 ZINC000330846798 334818675 /nfs/dbraw/zinc/81/86/75/334818675.db2.gz YNRIEZBJMYOJSM-NHYWBVRUSA-N -1 3 311.809 3.825 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)cc1[O-] ZINC000331332650 334854278 /nfs/dbraw/zinc/85/42/78/334854278.db2.gz HYWHBDCTWROOGD-INIZCTEOSA-N -1 3 323.392 3.533 20 0 DHADHM CCc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)c([O-])c1 ZINC000189155106 334887434 /nfs/dbraw/zinc/88/74/34/334887434.db2.gz DESYQORLKLSOFQ-UHFFFAOYSA-N -1 3 310.353 3.604 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccsc1Cl ZINC000189512138 334898447 /nfs/dbraw/zinc/89/84/47/334898447.db2.gz QZKNWRUITMKHJQ-UHFFFAOYSA-N -1 3 302.182 3.942 20 0 DHADHM C[C@@H](CNC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189902721 334915710 /nfs/dbraw/zinc/91/57/10/334915710.db2.gz QLCKDGAMHNBMTI-NSHDSACASA-N -1 3 323.314 3.945 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cs1 ZINC000343920460 335202100 /nfs/dbraw/zinc/20/21/00/335202100.db2.gz AMMRCQXRFBQXGC-UHFFFAOYSA-N -1 3 309.774 3.870 20 0 DHADHM Cc1ccc(F)c(CN(C)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000444429794 338472595 /nfs/dbraw/zinc/47/25/95/338472595.db2.gz MAVQMVOSTLXSTH-UHFFFAOYSA-N -1 3 321.779 3.694 20 0 DHADHM Cc1nc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c(C)o1 ZINC000343932434 335203132 /nfs/dbraw/zinc/20/31/32/335203132.db2.gz QFCIBTOJEXFZAR-UHFFFAOYSA-N -1 3 322.364 3.840 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCCCC[C@H]2c2ccc(C)o2)n1 ZINC000344407676 335246531 /nfs/dbraw/zinc/24/65/31/335246531.db2.gz OQDFVYGHTSPJGJ-HNNXBMFYSA-N -1 3 315.417 3.763 20 0 DHADHM CC[C@H](C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000444534209 338474841 /nfs/dbraw/zinc/47/48/41/338474841.db2.gz HBIABFYKXOMWEW-SDBXPKJASA-N -1 3 323.742 3.681 20 0 DHADHM C[C@@H]1CCN(C(=O)c2ccncc2Cl)c2c([O-])cccc21 ZINC000345143877 335301155 /nfs/dbraw/zinc/30/11/55/335301155.db2.gz VKTKMJQGNLSAAS-SNVBAGLBSA-N -1 3 302.761 3.595 20 0 DHADHM Cc1cccc(C)c1NCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345158389 335302487 /nfs/dbraw/zinc/30/24/87/335302487.db2.gz KQDAOHFSGZDFBU-CYBMUJFWSA-N -1 3 324.424 3.961 20 0 DHADHM CC(C)N(Cc1ccco1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345255496 335312448 /nfs/dbraw/zinc/31/24/48/335312448.db2.gz JSLZYDBBUVPNKR-UHFFFAOYSA-N -1 3 319.376 3.884 20 0 DHADHM Cc1c(-c2ccccc2)sc2[n-]c(-c3ccncn3)nc(=O)c12 ZINC000345307468 335315822 /nfs/dbraw/zinc/31/58/22/335315822.db2.gz FKDSVQZBTLNOKK-UHFFFAOYSA-N -1 3 320.377 3.829 20 0 DHADHM COc1cccc2c(C(=O)Nc3ccc4ccoc4c3)[n-]nc21 ZINC000345403910 335323572 /nfs/dbraw/zinc/32/35/72/335323572.db2.gz JZZJYJLHDGXFFP-UHFFFAOYSA-N -1 3 307.309 3.570 20 0 DHADHM COc1cccc2c(C(=O)Nc3ccc4ccoc4c3)n[n-]c21 ZINC000345403910 335323573 /nfs/dbraw/zinc/32/35/73/335323573.db2.gz JZZJYJLHDGXFFP-UHFFFAOYSA-N -1 3 307.309 3.570 20 0 DHADHM O=C([N-]c1csc(-c2ccccn2)n1)c1sccc1F ZINC000345838079 335354493 /nfs/dbraw/zinc/35/44/93/335354493.db2.gz QXHYXXQETHIWIC-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2csc(-c3cccs3)n2)n1 ZINC000345970754 335364957 /nfs/dbraw/zinc/36/49/57/335364957.db2.gz CQZJJFDZLHVSQW-UHFFFAOYSA-N -1 3 317.395 3.533 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3s2)n1 ZINC000345919356 335365539 /nfs/dbraw/zinc/36/55/39/335365539.db2.gz BIJMBXZTZLNGSV-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM CC1(C)CC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000346198780 335389140 /nfs/dbraw/zinc/38/91/40/335389140.db2.gz RNQLYWJZLIJIDG-SNVBAGLBSA-N -1 3 309.822 3.710 20 0 DHADHM CCCc1nc(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000346949203 335452394 /nfs/dbraw/zinc/45/23/94/335452394.db2.gz UGGRBXFPTFEOQN-NSHDSACASA-N -1 3 314.385 3.795 20 0 DHADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000349081309 335633442 /nfs/dbraw/zinc/63/34/42/335633442.db2.gz JTHMKWNVMBDMBT-OAHLLOKOSA-N -1 3 320.751 3.771 20 0 DHADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000349563343 335680860 /nfs/dbraw/zinc/68/08/60/335680860.db2.gz GXLSNLMPULRKST-JTQLQIEISA-N -1 3 322.455 3.840 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000349601580 335683773 /nfs/dbraw/zinc/68/37/73/335683773.db2.gz SRTBJPFRXQLWFM-INIZCTEOSA-N -1 3 305.324 3.674 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1csc(=O)[n-]1 ZINC000349853292 335704161 /nfs/dbraw/zinc/70/41/61/335704161.db2.gz RPNROLAFFXNJNY-ZDUSSCGKSA-N -1 3 304.415 3.674 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2nc(C3CC3)oc2C)s1 ZINC000350700290 335773404 /nfs/dbraw/zinc/77/34/04/335773404.db2.gz MLSAJDBTDNHNDS-UHFFFAOYSA-N -1 3 320.418 3.697 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H](c3nccs3)C2)c1Cl ZINC000351004189 336003962 /nfs/dbraw/zinc/00/39/62/336003962.db2.gz YMVSKAULRLYWSD-LBPRGKRZSA-N -1 3 308.834 3.882 20 0 DHADHM O=C(c1ccccc1[O-])N(CCC(F)(F)F)Cc1ccccc1 ZINC000191945258 336006017 /nfs/dbraw/zinc/00/60/17/336006017.db2.gz AXRDSYBHNNZBBA-UHFFFAOYSA-N -1 3 323.314 3.987 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000351326064 336027833 /nfs/dbraw/zinc/02/78/33/336027833.db2.gz JIYCQGIJELXXRU-GFCCVEGCSA-N -1 3 304.415 3.505 20 0 DHADHM [O-]c1ccc(F)c(CN(C[C@H]2CCCO2)C2CCCC2)c1F ZINC000351660240 336055517 /nfs/dbraw/zinc/05/55/17/336055517.db2.gz BHIKWTMPDYDDRM-CYBMUJFWSA-N -1 3 311.372 3.594 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cc(Cl)ccc1Cl ZINC000351661425 336055885 /nfs/dbraw/zinc/05/58/85/336055885.db2.gz KZTPCIZSMUBUJI-QMMMGPOBSA-N -1 3 320.197 3.626 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4n3)n[n-]2)o1 ZINC000351699902 336059755 /nfs/dbraw/zinc/05/97/55/336059755.db2.gz HJBCOUWGOOPKJR-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4n3)[n-]n2)o1 ZINC000351699902 336059757 /nfs/dbraw/zinc/05/97/57/336059757.db2.gz HJBCOUWGOOPKJR-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM C[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000332130624 336159595 /nfs/dbraw/zinc/15/95/95/336159595.db2.gz JKISGHDEDZBGAD-KBPBESRZSA-N -1 3 310.397 3.821 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000351988313 336186029 /nfs/dbraw/zinc/18/60/29/336186029.db2.gz FVTIAGHPTUJJJF-MRXNPFEDSA-N -1 3 315.344 3.597 20 0 DHADHM COc1ccccc1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000352001636 336187637 /nfs/dbraw/zinc/18/76/37/336187637.db2.gz GYCLQTLBXLCZQO-QGZVFWFLSA-N -1 3 301.361 3.877 20 0 DHADHM C[C@H]1CCc2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)sc2C1 ZINC000352004926 336187834 /nfs/dbraw/zinc/18/78/34/336187834.db2.gz BJGCOZKKAQUMNY-STUBTGCMSA-N -1 3 313.426 3.811 20 0 DHADHM COc1cc(C)c(NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000352134812 336196240 /nfs/dbraw/zinc/19/62/40/336196240.db2.gz RFLRXOJMCJFZHR-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CC[C@@H](CNC(=O)c1cccc([O-])c1)Oc1ccccc1Cl ZINC000182561200 336242355 /nfs/dbraw/zinc/24/23/55/336242355.db2.gz BAKUWAKQDJZBSY-AWEZNQCLSA-N -1 3 319.788 3.633 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2c(F)cc(F)cc2F)n1 ZINC000532634600 336262946 /nfs/dbraw/zinc/26/29/46/336262946.db2.gz XDOVQBCYEXPSLR-SSDOTTSWSA-N -1 3 300.305 3.761 20 0 DHADHM C[C@@H](Cc1ccsc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000527039264 336280262 /nfs/dbraw/zinc/28/02/62/336280262.db2.gz MEXDOZGLQRXRGG-LBPRGKRZSA-N -1 3 321.417 3.663 20 0 DHADHM CCOc1ccccc1C1=CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000352853983 336280476 /nfs/dbraw/zinc/28/04/76/336280476.db2.gz QNLMVHFWKGYRMN-UHFFFAOYSA-N -1 3 324.424 3.784 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)cc3cccnc32)C1 ZINC000532881400 336284597 /nfs/dbraw/zinc/28/45/97/336284597.db2.gz OYWIBMKOEINDDO-LBPRGKRZSA-N -1 3 318.804 3.575 20 0 DHADHM O=c1[n-]c(Sc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000301303781 336299858 /nfs/dbraw/zinc/29/98/58/336299858.db2.gz WZXACLNPPRDMEH-UHFFFAOYSA-N -1 3 320.377 3.672 20 0 DHADHM Cc1ccc(C)c(OCCN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000320916960 336385406 /nfs/dbraw/zinc/38/54/06/336385406.db2.gz DSEAXDYFIZYOCJ-UHFFFAOYSA-N -1 3 313.397 3.512 20 0 DHADHM CC1=C(c2ccco2)CN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000353296459 336410559 /nfs/dbraw/zinc/41/05/59/336410559.db2.gz BOVWJBVRVZHMBS-UHFFFAOYSA-N -1 3 317.772 3.958 20 0 DHADHM Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1[O-] ZINC000353866444 336444695 /nfs/dbraw/zinc/44/46/95/336444695.db2.gz BKNSSBMIIVKZBO-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM Cc1cc(C(=O)N2CC(c3nc4ccccc4s3)C2)ccc1[O-] ZINC000354543266 336474212 /nfs/dbraw/zinc/47/42/12/336474212.db2.gz WVTPHNHGYGYABY-UHFFFAOYSA-N -1 3 324.405 3.550 20 0 DHADHM Cc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)ccc1[O-] ZINC000354732078 336480350 /nfs/dbraw/zinc/48/03/50/336480350.db2.gz PSTUYEFXRYJXSD-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000355166750 336496951 /nfs/dbraw/zinc/49/69/51/336496951.db2.gz GMTKWPIXTOEBNY-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM C[C@@]1(NC(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1c1ccccc1 ZINC000356496971 336552049 /nfs/dbraw/zinc/55/20/49/336552049.db2.gz VSVGCARHSFAARD-CRAIPNDOSA-N -1 3 315.800 3.651 20 0 DHADHM COc1cc(C(=O)N[C@H](C)c2ccccc2Cl)ccc1[O-] ZINC000357603216 336592106 /nfs/dbraw/zinc/59/21/06/336592106.db2.gz ZUVXMXYQJPLSLF-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1nc[n-]n1 ZINC000358443822 336630184 /nfs/dbraw/zinc/63/01/84/336630184.db2.gz FTROSHYKCCXBRQ-UHFFFAOYSA-N -1 3 314.732 3.503 20 0 DHADHM O=C(CCCCC(=O)c1ccccc1)Nc1ccc([O-])cc1F ZINC000360862653 336724705 /nfs/dbraw/zinc/72/47/05/336724705.db2.gz ZCWJLIKOHJXLFV-UHFFFAOYSA-N -1 3 315.344 3.913 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc([O-])cc2F)cc1C ZINC000360862711 336724805 /nfs/dbraw/zinc/72/48/05/336724805.db2.gz ZUPUQXXVTZSBFM-UHFFFAOYSA-N -1 3 315.344 3.750 20 0 DHADHM CCNc1ccc(Cl)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000361939703 336779143 /nfs/dbraw/zinc/77/91/43/336779143.db2.gz YARZAEIUWYBIEI-UHFFFAOYSA-N -1 3 322.767 3.547 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C)nc1OC ZINC000362185480 336787241 /nfs/dbraw/zinc/78/72/41/336787241.db2.gz WKRYKYARXMPDSM-UHFFFAOYSA-N -1 3 320.389 3.902 20 0 DHADHM COc1ccc(N(C)C(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000362628973 336807132 /nfs/dbraw/zinc/80/71/32/336807132.db2.gz XCBADJAPWCFFRW-UHFFFAOYSA-N -1 3 321.789 3.563 20 0 DHADHM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000368024312 336835298 /nfs/dbraw/zinc/83/52/98/336835298.db2.gz YPNDMEIIIDFICG-ZIAGYGMSSA-N -1 3 313.422 3.845 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)co2)no1 ZINC000372085783 336921736 /nfs/dbraw/zinc/92/17/36/336921736.db2.gz PAKIZNBYCXLOPG-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCOc2ccc(Cl)cc21 ZINC000373398603 336959020 /nfs/dbraw/zinc/95/90/20/336959020.db2.gz LDQMAUCSUNFCCP-LLVKDONJSA-N -1 3 321.735 3.690 20 0 DHADHM Cc1ccc(F)c(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000582446988 337016514 /nfs/dbraw/zinc/01/65/14/337016514.db2.gz QCBUZKDSHNLEOG-UHFFFAOYSA-N -1 3 321.315 3.636 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCc2c1cccc2F ZINC000122622787 337016833 /nfs/dbraw/zinc/01/68/33/337016833.db2.gz NWQGXWDCRMIJBY-INIZCTEOSA-N -1 3 319.763 3.531 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2occ3c2CCOC3)c1 ZINC000376116674 337027519 /nfs/dbraw/zinc/02/75/19/337027519.db2.gz NYDCVSLPOSICBZ-UHFFFAOYSA-N -1 3 315.369 3.608 20 0 DHADHM C[C@@H](c1ccc2ccccc2c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377490150 337053694 /nfs/dbraw/zinc/05/36/94/337053694.db2.gz KTEHOEOYLBUTAZ-GUYCJALGSA-N -1 3 322.412 3.604 20 0 DHADHM O=C(Nc1ncccc1[O-])C12CCC(C(F)(F)F)(CC1)CC2 ZINC000377871945 337062968 /nfs/dbraw/zinc/06/29/68/337062968.db2.gz BFHLSBUVQZUNQA-UHFFFAOYSA-N -1 3 314.307 3.629 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC=C(c2ccccc2)C1 ZINC000378513937 337074794 /nfs/dbraw/zinc/07/47/94/337074794.db2.gz JQRSTTOOHPZPDX-UHFFFAOYSA-N -1 3 313.784 3.514 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1[O-] ZINC000582521470 337100277 /nfs/dbraw/zinc/10/02/77/337100277.db2.gz MFTMABGFJPZFNJ-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1CC2CCC1CC2 ZINC000394547589 337121564 /nfs/dbraw/zinc/12/15/64/337121564.db2.gz FMKPJCRRIJQUGF-NPZBDFSRSA-N -1 3 307.821 3.990 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCc2cc(F)ccc21 ZINC000178261288 337161884 /nfs/dbraw/zinc/16/18/84/337161884.db2.gz IBUFMCZQJHWGFH-MRXNPFEDSA-N -1 3 319.763 3.531 20 0 DHADHM Cc1cccc(OCCCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000180464853 337174830 /nfs/dbraw/zinc/17/48/30/337174830.db2.gz UPMODNOMZFAJOI-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)[C@H](c3ccccc3)C3CC3)[n-]2)o1 ZINC000181882156 337185216 /nfs/dbraw/zinc/18/52/16/337185216.db2.gz XBFRUGDGSIFGHO-OAHLLOKOSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](c3ccccc3)C3CC3)n2)o1 ZINC000181882156 337185217 /nfs/dbraw/zinc/18/52/17/337185217.db2.gz XBFRUGDGSIFGHO-OAHLLOKOSA-N -1 3 322.368 3.505 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@H](c3ccccc3)C3CC3)n[n-]2)o1 ZINC000181882156 337185218 /nfs/dbraw/zinc/18/52/18/337185218.db2.gz XBFRUGDGSIFGHO-OAHLLOKOSA-N -1 3 322.368 3.505 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)o1 ZINC000181957382 337185396 /nfs/dbraw/zinc/18/53/96/337185396.db2.gz DVJTXVHLMQDAMJ-YVEFUNNKSA-N -1 3 311.381 3.913 20 0 DHADHM CC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1OC(F)F ZINC000181957635 337185548 /nfs/dbraw/zinc/18/55/48/337185548.db2.gz XYCYXFNPKZZFJI-CQSZACIVSA-N -1 3 321.323 3.875 20 0 DHADHM C[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc([O-])cc1Cl ZINC000182506015 337188787 /nfs/dbraw/zinc/18/87/87/337188787.db2.gz HFRRVEYEEWIZCE-LBPRGKRZSA-N -1 3 315.800 3.562 20 0 DHADHM O=C(c1cccc([O-])c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000182836619 337190252 /nfs/dbraw/zinc/19/02/52/337190252.db2.gz XPIAXRPEAGTYJR-UHFFFAOYSA-N -1 3 323.348 3.533 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1(c2cccc(Cl)c2)CC1 ZINC000183272246 337192597 /nfs/dbraw/zinc/19/25/97/337192597.db2.gz DECVFGAELIXFAD-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM O=C(CSc1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000183264031 337192644 /nfs/dbraw/zinc/19/26/44/337192644.db2.gz IAIBBAGDVCRJES-UHFFFAOYSA-N -1 3 311.765 3.916 20 0 DHADHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183277905 337192725 /nfs/dbraw/zinc/19/27/25/337192725.db2.gz GHUSNFZKJCUACL-JTQLQIEISA-N -1 3 321.373 3.659 20 0 DHADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000183278355 337192778 /nfs/dbraw/zinc/19/27/78/337192778.db2.gz KLWMOWCLNZZEGM-LBPRGKRZSA-N -1 3 303.333 3.575 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c([O-])c1 ZINC000321080145 337194706 /nfs/dbraw/zinc/19/47/06/337194706.db2.gz LRLFTHAXRNJCCB-CYBMUJFWSA-N -1 3 308.337 3.665 20 0 DHADHM Cc1oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2c1C ZINC000185407476 337204905 /nfs/dbraw/zinc/20/49/05/337204905.db2.gz VGNBNSNUVPSJJT-UHFFFAOYSA-N -1 3 306.325 3.573 20 0 DHADHM Cc1oc([C@@H](C)N(C)CCOc2ccccc2C)cc1C(=O)[O-] ZINC000582970768 337224427 /nfs/dbraw/zinc/22/44/27/337224427.db2.gz SDAKEMQHUIRGSQ-CYBMUJFWSA-N -1 3 317.385 3.666 20 0 DHADHM O=S(=O)(CCC1CCCC1)[N-]c1cccc2cnccc21 ZINC000583131281 337242719 /nfs/dbraw/zinc/24/27/19/337242719.db2.gz JIWWASHUGAJQGQ-UHFFFAOYSA-N -1 3 304.415 3.557 20 0 DHADHM Cc1ccc(SC[C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000186694275 337258573 /nfs/dbraw/zinc/25/85/73/337258573.db2.gz UUJBKFKDBKYTRG-ZDUSSCGKSA-N -1 3 301.411 3.611 20 0 DHADHM O=C([N-]c1nccc2sccc21)c1c(F)ccc(F)c1F ZINC000186829932 337260039 /nfs/dbraw/zinc/26/00/39/337260039.db2.gz HEVQJZKKOGHBAN-UHFFFAOYSA-N -1 3 308.284 3.966 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c([O-])c1 ZINC000187847667 337268496 /nfs/dbraw/zinc/26/84/96/337268496.db2.gz YIOKGDUIZBHIIG-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC(C)(C)c2ccccc2)c1[O-] ZINC000583219967 337277492 /nfs/dbraw/zinc/27/74/92/337277492.db2.gz KHPQEICKOHZIQE-UHFFFAOYSA-N -1 3 311.381 3.901 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000189482433 337279439 /nfs/dbraw/zinc/27/94/39/337279439.db2.gz UYMUNUYTAPMSOM-PHIMTYICSA-N -1 3 313.319 3.673 20 0 DHADHM CC1(CCNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000525941857 337287927 /nfs/dbraw/zinc/28/79/27/337287927.db2.gz MSBPCYUBLUIJFC-UHFFFAOYSA-N -1 3 323.392 3.543 20 0 DHADHM C[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)[C@@H]1C(=O)[O-] ZINC000235313498 337308931 /nfs/dbraw/zinc/30/89/31/337308931.db2.gz DWRJDZLSFRYKJJ-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(C(C)(C)CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000584509683 337351793 /nfs/dbraw/zinc/35/17/93/337351793.db2.gz QJXKYDRRLNGOSA-HNNXBMFYSA-N -1 3 313.445 3.770 20 0 DHADHM [O-]c1cccnc1CN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000583899552 337384663 /nfs/dbraw/zinc/38/46/63/337384663.db2.gz VZEUSWTZYNTXTL-GOSISDBHSA-N -1 3 318.367 3.849 20 0 DHADHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000583904125 337385012 /nfs/dbraw/zinc/38/50/12/337385012.db2.gz DHPMFHXGZQWQBF-UHFFFAOYSA-N -1 3 313.463 3.868 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(F)cc1F ZINC000109110864 337388118 /nfs/dbraw/zinc/38/81/18/337388118.db2.gz QHGCARBAAYJGMU-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM COc1ccsc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109112081 337388212 /nfs/dbraw/zinc/38/82/12/337388212.db2.gz VWTRLCCXNURCKG-UHFFFAOYSA-N -1 3 323.424 3.589 20 0 DHADHM Cc1nc([C@@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)n[nH]1 ZINC000114449293 337391580 /nfs/dbraw/zinc/39/15/80/337391580.db2.gz OGZFEBCCEBFFSE-HNNXBMFYSA-N -1 3 323.331 3.595 20 0 DHADHM Cc1nnc([C@@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)[nH]1 ZINC000114449293 337391581 /nfs/dbraw/zinc/39/15/81/337391581.db2.gz OGZFEBCCEBFFSE-HNNXBMFYSA-N -1 3 323.331 3.595 20 0 DHADHM O=C(Nc1cc(Br)ccc1F)c1cccc([O-])c1 ZINC000036752733 337394996 /nfs/dbraw/zinc/39/49/96/337394996.db2.gz HRMJJWHDULRIGZ-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2Cl)cs1)c1cnns1 ZINC000047411109 337430052 /nfs/dbraw/zinc/43/00/52/337430052.db2.gz BQQVKZZQPARSLX-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1[O-] ZINC000420178293 337496230 /nfs/dbraw/zinc/49/62/30/337496230.db2.gz TWHQAQRYPPPZLT-JKSUJKDBSA-N -1 3 317.429 3.882 20 0 DHADHM O=C(c1ccccc1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000073350931 337549714 /nfs/dbraw/zinc/54/97/14/337549714.db2.gz VEFHJKRHFROKIW-UHFFFAOYSA-N -1 3 318.376 3.803 20 0 DHADHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1[O-] ZINC000248056527 337562347 /nfs/dbraw/zinc/56/23/47/337562347.db2.gz YSTVDXCXXJXCMA-UHFFFAOYSA-N -1 3 308.337 3.537 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)cc2cccnc21 ZINC000162000422 337601009 /nfs/dbraw/zinc/60/10/09/337601009.db2.gz XNQKEWPKKQCRPE-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(OC)c1[O-] ZINC000078568873 337602001 /nfs/dbraw/zinc/60/20/01/337602001.db2.gz OSONTQGQPLURFL-ZDUSSCGKSA-N -1 3 317.410 3.612 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(CC(F)(F)F)CC2)c1 ZINC000263376825 337627150 /nfs/dbraw/zinc/62/71/50/337627150.db2.gz ATTXDCFUWZXLQN-UHFFFAOYSA-N -1 3 301.308 3.549 20 0 DHADHM O=C([O-])C1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000263440501 337629209 /nfs/dbraw/zinc/62/92/09/337629209.db2.gz WGRBTSLKPIGTSD-UHFFFAOYSA-N -1 3 319.401 3.851 20 0 DHADHM CCc1cccc2c1OCC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263444498 337629350 /nfs/dbraw/zinc/62/93/50/337629350.db2.gz XLTITZBJVFKDSB-KRWDZBQOSA-N -1 3 311.381 3.561 20 0 DHADHM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000527253988 337740736 /nfs/dbraw/zinc/74/07/36/337740736.db2.gz QMLCYWDDAGWWHF-NSHDSACASA-N -1 3 315.335 3.919 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)c2cccs2)o1 ZINC000536894243 337845197 /nfs/dbraw/zinc/84/51/97/337845197.db2.gz SMLAINFZFKKZSS-GFCCVEGCSA-N -1 3 313.444 3.715 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000119482075 337861078 /nfs/dbraw/zinc/86/10/78/337861078.db2.gz CFFXCJFNYXYWBO-JTQLQIEISA-N -1 3 321.323 3.512 20 0 DHADHM [O-]c1ccc(CNCc2ccccc2Br)cc1F ZINC000120455657 337874300 /nfs/dbraw/zinc/87/43/00/337874300.db2.gz IQHYRNSCESIRPT-UHFFFAOYSA-N -1 3 310.166 3.584 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(-c2ccccc2)s1 ZINC000424630778 337930662 /nfs/dbraw/zinc/93/06/62/337930662.db2.gz ZRFAPBHCUQLBST-BLLLJJGKSA-N -1 3 318.442 3.645 20 0 DHADHM Cc1ccc2[nH]c(C(=O)N3CCCc4cccc([O-])c43)cc2c1 ZINC000537613353 337946644 /nfs/dbraw/zinc/94/66/44/337946644.db2.gz GTHKLQZRAGFXLQ-UHFFFAOYSA-N -1 3 306.365 3.775 20 0 DHADHM C[C@@H](CCc1ccco1)NCc1cccc([O-])c1Br ZINC000315021742 337979439 /nfs/dbraw/zinc/97/94/39/337979439.db2.gz LNOLNUVNSVLGNB-NSHDSACASA-N -1 3 324.218 3.859 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1[O-] ZINC000515226146 337982528 /nfs/dbraw/zinc/98/25/28/337982528.db2.gz IFJMCSREWSAYKP-QWHCGFSZSA-N -1 3 315.394 3.707 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426541950 338034394 /nfs/dbraw/zinc/03/43/94/338034394.db2.gz SQESYMQGPWKRRA-LLVKDONJSA-N -1 3 307.802 3.833 20 0 DHADHM O=C([O-])CC1(CNCc2cccc(Cl)c2Cl)CCC1 ZINC000426650403 338037026 /nfs/dbraw/zinc/03/70/26/338037026.db2.gz CECWXSNUNOQZNL-UHFFFAOYSA-N -1 3 302.201 3.728 20 0 DHADHM O=C([O-])[C@@H](CNCc1ccccc1F)Cc1cccc(Cl)c1 ZINC000426676667 338037792 /nfs/dbraw/zinc/03/77/92/338037792.db2.gz FPHRXVKGTKQXMQ-CQSZACIVSA-N -1 3 321.779 3.512 20 0 DHADHM O=C([O-])C[C@H](NCc1cccc2cc[nH]c21)c1ccsc1 ZINC000426691711 338038248 /nfs/dbraw/zinc/03/82/48/338038248.db2.gz KPDLFCJHJNDLPG-AWEZNQCLSA-N -1 3 300.383 3.535 20 0 DHADHM O=C([O-])C[C@@H](NCc1coc2ccccc12)c1ccsc1 ZINC000426696288 338038340 /nfs/dbraw/zinc/03/83/40/338038340.db2.gz NPCPHJQLRNUNFU-CQSZACIVSA-N -1 3 301.367 3.800 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc3nc(C)ccc3c2)C(=O)[O-])cc1 ZINC000426706600 338038778 /nfs/dbraw/zinc/03/87/78/338038778.db2.gz VGLVNHRLCTVARK-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc2cc[nH]c21)c1ccccc1 ZINC000426715093 338038951 /nfs/dbraw/zinc/03/89/51/338038951.db2.gz GMVSNYUCBCNQEK-GUYCJALGSA-N -1 3 308.381 3.720 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000426725557 338039415 /nfs/dbraw/zinc/03/94/15/338039415.db2.gz ZVBIVPBEWDSUPS-RDTXWAMCSA-N -1 3 320.392 3.786 20 0 DHADHM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000426732148 338039705 /nfs/dbraw/zinc/03/97/05/338039705.db2.gz HKTFMQKGVYVORS-YPQKKHBXSA-N -1 3 319.763 3.908 20 0 DHADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426749157 338040539 /nfs/dbraw/zinc/04/05/39/338040539.db2.gz DEBTUWZWLJVCSS-GOSISDBHSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1cc(C)cc([C@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])c1 ZINC000426749770 338040678 /nfs/dbraw/zinc/04/06/78/338040678.db2.gz IKZHOIDBTBDQGI-JXCVUKRWSA-N -1 3 313.372 3.871 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000426754074 338040828 /nfs/dbraw/zinc/04/08/28/338040828.db2.gz NKFGFPPUCGMDEO-BDJLRTHQSA-N -1 3 305.324 3.516 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000426760135 338041125 /nfs/dbraw/zinc/04/11/25/338041125.db2.gz ZBIDSJCTJNJUOO-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM [O-]c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1F ZINC000428880713 338064403 /nfs/dbraw/zinc/06/44/03/338064403.db2.gz KECLEDYBDHYLHR-UHFFFAOYSA-N -1 3 305.296 3.901 20 0 DHADHM CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000429862589 338091271 /nfs/dbraw/zinc/09/12/71/338091271.db2.gz ROCZZFMUWRKSIQ-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM Cc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431481098 338131792 /nfs/dbraw/zinc/13/17/92/338131792.db2.gz AWAGYPGBMYQOPH-UHFFFAOYSA-N -1 3 306.149 3.545 20 0 DHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000432061885 338144826 /nfs/dbraw/zinc/14/48/26/338144826.db2.gz NVJSFLHBZSPTGD-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM C[C@H]1CCN(C(=O)C2Cc3ccccc3C2)c2c([O-])cccc21 ZINC000432150666 338147248 /nfs/dbraw/zinc/14/72/48/338147248.db2.gz NRKHBWLFZABNDQ-ZDUSSCGKSA-N -1 3 307.393 3.647 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(c3ncccc3Cl)CC2)c1 ZINC000433044489 338178084 /nfs/dbraw/zinc/17/80/84/338178084.db2.gz NHHYTXJXRRPRFZ-UHFFFAOYSA-N -1 3 320.795 3.959 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C)[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000434620753 338221356 /nfs/dbraw/zinc/22/13/56/338221356.db2.gz ZNTROGLHKNULFK-SFHVURJKSA-N -1 3 317.408 3.713 20 0 DHADHM CN(Cc1ccccc1)Cc1cc([O-])ccc1Br ZINC000435235356 338234754 /nfs/dbraw/zinc/23/47/54/338234754.db2.gz DITPGCWTJARNTI-UHFFFAOYSA-N -1 3 306.203 3.787 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(O)c2OC)CC)n1 ZINC000435339671 338237411 /nfs/dbraw/zinc/23/74/11/338237411.db2.gz WUSKIJPGRATCHS-ZRDIBKRKSA-N -1 3 314.385 3.800 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C)c2)CC)n1 ZINC000435341374 338237601 /nfs/dbraw/zinc/23/76/01/338237601.db2.gz WRIBYEWOHIAOAN-RVDMUPIBSA-N -1 3 312.413 3.990 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(F)c2)CC)n1 ZINC000435340929 338237649 /nfs/dbraw/zinc/23/76/49/338237649.db2.gz PCICZCWLCWIRLJ-UKTHLTGXSA-N -1 3 316.376 3.821 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)ccc1[O-] ZINC000435938300 338253681 /nfs/dbraw/zinc/25/36/81/338253681.db2.gz QMAMGEPKHHIEHB-ZFWWWQNUSA-N -1 3 313.372 3.906 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000436477213 338273493 /nfs/dbraw/zinc/27/34/93/338273493.db2.gz HVEFDSGUYUDOCC-UHFFFAOYSA-N -1 3 311.765 3.923 20 0 DHADHM COc1cc(C)cnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000436510654 338274598 /nfs/dbraw/zinc/27/45/98/338274598.db2.gz HMZILFKOQYKSKZ-UHFFFAOYSA-N -1 3 314.385 3.654 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)cc1[O-] ZINC000436523670 338275120 /nfs/dbraw/zinc/27/51/20/338275120.db2.gz CBURREHPZVGQNY-CQSZACIVSA-N -1 3 301.411 3.912 20 0 DHADHM [O-]c1ccc(-c2noc(COC/C=C/c3ccccc3)n2)cc1 ZINC000436532484 338275578 /nfs/dbraw/zinc/27/55/78/338275578.db2.gz JYQYERKMAGKOLW-QPJJXVBHSA-N -1 3 308.337 3.672 20 0 DHADHM COc1ccc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c([O-])c1 ZINC000436532580 338275586 /nfs/dbraw/zinc/27/55/86/338275586.db2.gz KTHZVXNFVBAESY-ZDUSSCGKSA-N -1 3 311.381 3.767 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccccc1[O-] ZINC000436536685 338275969 /nfs/dbraw/zinc/27/59/69/338275969.db2.gz FALJQAORFUYUBD-QGZVFWFLSA-N -1 3 311.381 3.550 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(CN(C)C)c1 ZINC000436540897 338276038 /nfs/dbraw/zinc/27/60/38/338276038.db2.gz URWJKMBRPJWSQG-UHFFFAOYSA-N -1 3 312.413 3.631 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1C ZINC000436543845 338276397 /nfs/dbraw/zinc/27/63/97/338276397.db2.gz JQOYFUZNJHWPQX-DGCLKSJQSA-N -1 3 315.335 3.812 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000436545699 338276481 /nfs/dbraw/zinc/27/64/81/338276481.db2.gz ODWZSVPYRMBVRL-ZYHUDNBSSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N(C)CCc2ccc(Cl)cc2)c([O-])c1C ZINC000436547051 338276549 /nfs/dbraw/zinc/27/65/49/338276549.db2.gz PWWBFUXZJUPVLJ-UHFFFAOYSA-N -1 3 317.816 3.977 20 0 DHADHM Cc1nc(C)c(CCNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436554767 338276896 /nfs/dbraw/zinc/27/68/96/338276896.db2.gz LTSFJLCLSJXHPK-UHFFFAOYSA-N -1 3 318.442 3.561 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000436556157 338276942 /nfs/dbraw/zinc/27/69/42/338276942.db2.gz PMAJYXIOMQOYGU-NXHRZFHOSA-N -1 3 307.393 3.801 20 0 DHADHM CC(C)c1ccc(C(=O)N(Cc2cccnc2)C(C)C)c([O-])c1 ZINC000436558597 338276982 /nfs/dbraw/zinc/27/69/82/338276982.db2.gz QIISSNDUYIYRHO-UHFFFAOYSA-N -1 3 312.413 3.961 20 0 DHADHM Cc1ccc(C(=O)NC[C@H](C)Oc2ccccc2Cl)c([O-])c1 ZINC000436561054 338277031 /nfs/dbraw/zinc/27/70/31/338277031.db2.gz BBXMLJVSEXHUGE-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM COc1ccccc1C1(c2noc(-c3cc(C)ccc3[O-])n2)CC1 ZINC000436563130 338277295 /nfs/dbraw/zinc/27/72/95/338277295.db2.gz GPRMEXMLWLQISP-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM Cc1cccc(C(=O)Nc2nc(-c3ccccc3F)co2)c1[O-] ZINC000436565561 338277304 /nfs/dbraw/zinc/27/73/04/338277304.db2.gz RYEBQHUNKIZIEB-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc(C(=O)NCCc2ccc3ccccc3n2)c([O-])c1C ZINC000436565967 338277464 /nfs/dbraw/zinc/27/74/64/338277464.db2.gz SMOVXFBNDIRTOX-UHFFFAOYSA-N -1 3 320.392 3.530 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436572148 338277898 /nfs/dbraw/zinc/27/78/98/338277898.db2.gz DHSMLLPJYSQXFC-DOTOQJQBSA-N -1 3 309.409 3.794 20 0 DHADHM COc1cccc(C(=O)N[C@@H](CC(C)C)c2cccs2)c1[O-] ZINC000436580583 338278206 /nfs/dbraw/zinc/27/82/06/338278206.db2.gz CAMQZTISMYVYIV-ZDUSSCGKSA-N -1 3 319.426 3.980 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2OCC(F)F)c([O-])c1C ZINC000436589956 338278691 /nfs/dbraw/zinc/27/86/91/338278691.db2.gz XBOZNIRQIGELOH-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2cncs2)no1 ZINC000436593470 338279211 /nfs/dbraw/zinc/27/92/11/338279211.db2.gz CCWVAIPWWBHHTE-UHFFFAOYSA-N -1 3 309.350 3.643 20 0 DHADHM Cc1noc(C)c1Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436597037 338279375 /nfs/dbraw/zinc/27/93/75/338279375.db2.gz SOTCQJDTKFECII-UHFFFAOYSA-N -1 3 321.336 3.791 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c([O-])c1 ZINC000436607241 338279659 /nfs/dbraw/zinc/27/96/59/338279659.db2.gz OMAQGRDOOSYUSV-IBGZPJMESA-N -1 3 313.372 3.644 20 0 DHADHM CCCC1CCC(N(C)C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436611213 338279930 /nfs/dbraw/zinc/27/99/30/338279930.db2.gz VHNKESZLMWWBSX-UHFFFAOYSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c([O-])c1 ZINC000436615207 338280118 /nfs/dbraw/zinc/28/01/18/338280118.db2.gz DBFMBVREDDNWRR-UHFFFAOYSA-N -1 3 315.417 3.929 20 0 DHADHM CCOc1cccc([C@H](C)NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436619768 338280322 /nfs/dbraw/zinc/28/03/22/338280322.db2.gz XVZAORSWMVYUBH-ZDUSSCGKSA-N -1 3 313.397 3.844 20 0 DHADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1c([O-])cccc1O ZINC000436646248 338281375 /nfs/dbraw/zinc/28/13/75/338281375.db2.gz GXDCIYUKIYVXMS-UHFFFAOYSA-N -1 3 313.353 3.672 20 0 DHADHM Cc1cccc(C(=O)N2CCc3ccc(Cl)cc3C2)c1[O-] ZINC000436663813 338282031 /nfs/dbraw/zinc/28/20/31/338282031.db2.gz IWXXSJQFLJVAIJ-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM CC[C@@H](C)Oc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436676713 338282533 /nfs/dbraw/zinc/28/25/33/338282533.db2.gz SFSOEPBKKBYMDV-GFCCVEGCSA-N -1 3 315.369 3.830 20 0 DHADHM COc1c(F)cc(NC(=O)c2ccc(C)c(C)c2[O-])cc1F ZINC000436686311 338282893 /nfs/dbraw/zinc/28/28/93/338282893.db2.gz OEINAHRQPVHPET-UHFFFAOYSA-N -1 3 307.296 3.548 20 0 DHADHM Cc1ccc(C(=O)NCc2ccccc2OC(F)F)c([O-])c1C ZINC000436689407 338283014 /nfs/dbraw/zinc/28/30/14/338283014.db2.gz DPLULRULRKJXCS-UHFFFAOYSA-N -1 3 321.323 3.540 20 0 DHADHM COc1cc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)cc(OC)c1[O-] ZINC000436691869 338283088 /nfs/dbraw/zinc/28/30/88/338283088.db2.gz VMNRSXKNBWCYDS-CMPLNLGQSA-N -1 3 318.373 3.753 20 0 DHADHM CC(C)[C@@H]1CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436691572 338283255 /nfs/dbraw/zinc/28/32/55/338283255.db2.gz USNANRSWZMSNOK-SFHVURJKSA-N -1 3 309.409 3.854 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)c([O-])c1 ZINC000436699277 338283348 /nfs/dbraw/zinc/28/33/48/338283348.db2.gz TWCUKDJRKSYYPR-UHFFFAOYSA-N -1 3 322.368 3.553 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC000436707809 338283557 /nfs/dbraw/zinc/28/35/57/338283557.db2.gz HHSFHCMMJFMJQE-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM CO[C@H](C)CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436718507 338284022 /nfs/dbraw/zinc/28/40/22/338284022.db2.gz AMXSHVVRYRDCMV-CYBMUJFWSA-N -1 3 307.434 3.794 20 0 DHADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1[O-] ZINC000436718764 338284078 /nfs/dbraw/zinc/28/40/78/338284078.db2.gz MHUFPZQARKDLBZ-UHFFFAOYSA-N -1 3 324.405 3.754 20 0 DHADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1ccc(O)cc1[O-] ZINC000436740427 338284962 /nfs/dbraw/zinc/28/49/62/338284962.db2.gz SHERZFGLERVVAL-LLVKDONJSA-N -1 3 323.801 3.620 20 0 DHADHM COc1ccc2nc(C)cc(C(=O)Nc3ccccc3[O-])c2c1 ZINC000436749572 338285369 /nfs/dbraw/zinc/28/53/69/338285369.db2.gz KIFFDJSDYFASAW-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c([O-])c1 ZINC000436756208 338285694 /nfs/dbraw/zinc/28/56/94/338285694.db2.gz QMHBQUJYWVKOJT-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436759688 338285990 /nfs/dbraw/zinc/28/59/90/338285990.db2.gz DTESQECEWQYSIR-SWLSCSKDSA-N -1 3 317.429 3.756 20 0 DHADHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436759520 338286035 /nfs/dbraw/zinc/28/60/35/338286035.db2.gz ZHTRYJZSVFXFFR-CQSZACIVSA-N -1 3 313.397 3.851 20 0 DHADHM CCCCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436760680 338286123 /nfs/dbraw/zinc/28/61/23/338286123.db2.gz RMRVAVTZJONZEY-UHFFFAOYSA-N -1 3 303.402 3.510 20 0 DHADHM Cc1cccc(C(=O)NCC(C)(C)c2ccc(F)cc2)c1[O-] ZINC000436766895 338286320 /nfs/dbraw/zinc/28/63/20/338286320.db2.gz ABJDWRYNOIENBZ-UHFFFAOYSA-N -1 3 301.361 3.547 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3ccc4c(c3)CCO4)n2)cc1 ZINC000436772112 338286677 /nfs/dbraw/zinc/28/66/77/338286677.db2.gz MTKABRNAGCISPN-WAPJZHGLSA-N -1 3 306.321 3.548 20 0 DHADHM CC(C)Oc1ccccc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436772192 338286755 /nfs/dbraw/zinc/28/67/55/338286755.db2.gz MYVCNZUKDOPEAT-UHFFFAOYSA-N -1 3 310.353 3.820 20 0 DHADHM COc1cc(-c2noc(-c3cc4c(s3)CCC4)n2)ccc1[O-] ZINC000436789968 338287494 /nfs/dbraw/zinc/28/74/94/338287494.db2.gz MKHURFRDGGTPET-UHFFFAOYSA-N -1 3 314.366 3.668 20 0 DHADHM CCc1ccc(C(=O)N2CCc3sccc3[C@H]2C)c([O-])c1 ZINC000436805655 338288048 /nfs/dbraw/zinc/28/80/48/338288048.db2.gz YQVXNBJRMXHIOV-LLVKDONJSA-N -1 3 301.411 3.776 20 0 DHADHM CSc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccn1 ZINC000436811350 338288230 /nfs/dbraw/zinc/28/82/30/338288230.db2.gz JLDBEMJLDGEIPO-UHFFFAOYSA-N -1 3 308.790 3.723 20 0 DHADHM Cc1ccc(C(=O)NCc2ccccc2OC2CCC2)c([O-])c1 ZINC000436815647 338288331 /nfs/dbraw/zinc/28/83/31/338288331.db2.gz PFGZTESMVPDPRS-UHFFFAOYSA-N -1 3 311.381 3.562 20 0 DHADHM CCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-])[C@H]1CCOC1 ZINC000436830217 338288917 /nfs/dbraw/zinc/28/89/17/338288917.db2.gz CSDSLTXUCNHRKJ-HNNXBMFYSA-N -1 3 319.445 3.890 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436832680 338288923 /nfs/dbraw/zinc/28/89/23/338288923.db2.gz JTNJBNRFLMQVGT-PBHICJAKSA-N -1 3 309.409 3.973 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000436832039 338289024 /nfs/dbraw/zinc/28/90/24/338289024.db2.gz RHWVOSNCLSCFRZ-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000436832174 338289085 /nfs/dbraw/zinc/28/90/85/338289085.db2.gz ZRBYSNBINHUXFW-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436837905 338289316 /nfs/dbraw/zinc/28/93/16/338289316.db2.gz ITEGFBRYHTWADL-KBPBESRZSA-N -1 3 307.459 3.920 20 0 DHADHM CCc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)c([O-])c1 ZINC000436837289 338289361 /nfs/dbraw/zinc/28/93/61/338289361.db2.gz HGNAPEREHPDQDP-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM CC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1F ZINC000436854735 338290079 /nfs/dbraw/zinc/29/00/79/338290079.db2.gz HGEAPBRZDIVZHM-UHFFFAOYSA-N -1 3 301.317 3.603 20 0 DHADHM Cc1ccc([C@@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)c(C)c1 ZINC000436855545 338290117 /nfs/dbraw/zinc/29/01/17/338290117.db2.gz XJZYGBZKZCTCBB-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM COc1cc(-c2noc([C@@H](F)Cc3ccccc3)n2)ccc1[O-] ZINC000436858247 338290214 /nfs/dbraw/zinc/29/02/14/338290214.db2.gz ZYCDDICTBCWVFN-ZDUSSCGKSA-N -1 3 314.316 3.704 20 0 DHADHM CC(C)(NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1F ZINC000436858359 338290225 /nfs/dbraw/zinc/29/02/25/338290225.db2.gz SXRJKAQGGHXIAA-UHFFFAOYSA-N -1 3 323.751 3.555 20 0 DHADHM CCOc1cc(-c2noc([C@@H](F)c3ccccc3)n2)ccc1[O-] ZINC000436876403 338291279 /nfs/dbraw/zinc/29/12/79/338291279.db2.gz IJPIZKUGKIGARL-HNNXBMFYSA-N -1 3 314.316 3.900 20 0 DHADHM CCOc1cc(-c2noc([C@@H](C)c3ccccc3)n2)ccc1[O-] ZINC000436879649 338291389 /nfs/dbraw/zinc/29/13/89/338291389.db2.gz XXYLEXWQQHXIAY-LBPRGKRZSA-N -1 3 310.353 3.993 20 0 DHADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436889902 338292018 /nfs/dbraw/zinc/29/20/18/338292018.db2.gz BLUYVQIWHCOYOX-BZNIZROVSA-N -1 3 319.788 3.552 20 0 DHADHM Cc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)ccc1[O-] ZINC000436900162 338292617 /nfs/dbraw/zinc/29/26/17/338292617.db2.gz HFVZKVBJDLVLHA-HNNXBMFYSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1[O-] ZINC000436904124 338292873 /nfs/dbraw/zinc/29/28/73/338292873.db2.gz VOLMMUQPIUMJEE-NSHDSACASA-N -1 3 318.442 3.946 20 0 DHADHM Cc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000436905181 338292935 /nfs/dbraw/zinc/29/29/35/338292935.db2.gz ZSQBNHAUBMWSDS-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM COc1ccc(CN(C(=O)c2ccc([O-])c(C)c2)C2CC2)cc1 ZINC000436903169 338292982 /nfs/dbraw/zinc/29/29/82/338292982.db2.gz SJIKAIQIQKCEET-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccnc(OC(C)C)c3)no2)c1 ZINC000436910750 338293094 /nfs/dbraw/zinc/29/30/94/338293094.db2.gz DHWFEFAQDDRMAR-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM COCc1cccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)c1 ZINC000436913046 338293179 /nfs/dbraw/zinc/29/31/79/338293179.db2.gz YLPQKPIPABTXFP-UHFFFAOYSA-N -1 3 310.353 3.872 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000436917615 338293263 /nfs/dbraw/zinc/29/32/63/338293263.db2.gz BZUAYUYOZKYLLK-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1[O-] ZINC000436912621 338293338 /nfs/dbraw/zinc/29/33/38/338293338.db2.gz XQXSPOQQNODXIM-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1cc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000436921677 338293405 /nfs/dbraw/zinc/29/34/05/338293405.db2.gz KHIGLXBANADRQR-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM Cc1ccc(-c2nc(-c3ccnc(OC(C)C)c3)no2)c([O-])c1 ZINC000436919330 338293413 /nfs/dbraw/zinc/29/34/13/338293413.db2.gz LDIRRYSAVHQJKD-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM COc1cccc(C(=O)NCc2ccc3sccc3c2)c1[O-] ZINC000436924234 338293566 /nfs/dbraw/zinc/29/35/66/338293566.db2.gz BUNNXVWXKLIMDD-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000436923909 338293604 /nfs/dbraw/zinc/29/36/04/338293604.db2.gz BGFABJMTLKMFPG-YOEHRIQHSA-N -1 3 319.445 3.839 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)c([O-])c1 ZINC000436925300 338293706 /nfs/dbraw/zinc/29/37/06/338293706.db2.gz ZFIQPFJENQIKKZ-OAHLLOKOSA-N -1 3 317.429 3.833 20 0 DHADHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436926291 338293809 /nfs/dbraw/zinc/29/38/09/338293809.db2.gz JJLFGXYYIBHPTK-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1cc(C(=O)N(Cc2cccc(F)c2)C(C)C)ccc1[O-] ZINC000436925486 338293817 /nfs/dbraw/zinc/29/38/17/338293817.db2.gz GJHCVPUYMDBBKJ-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1[O-] ZINC000436927383 338293916 /nfs/dbraw/zinc/29/39/16/338293916.db2.gz PJSHMFMUAPWJBJ-SECBINFHSA-N -1 3 302.399 3.534 20 0 DHADHM Cc1ccc(CSCCNC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436928055 338293929 /nfs/dbraw/zinc/29/39/29/338293929.db2.gz RFRVBYBCBMVHKW-UHFFFAOYSA-N -1 3 315.438 3.672 20 0 DHADHM COc1ccc(N(C)C(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000436931044 338294148 /nfs/dbraw/zinc/29/41/48/338294148.db2.gz YTWYQQVOTKWKGN-UHFFFAOYSA-N -1 3 305.761 3.639 20 0 DHADHM Cc1cc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)ccc1[O-] ZINC000436932879 338294168 /nfs/dbraw/zinc/29/41/68/338294168.db2.gz AANNAUOEYQGATG-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)c1 ZINC000436934676 338294380 /nfs/dbraw/zinc/29/43/80/338294380.db2.gz YKFUPUXJXNYCTP-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COc1ccc([C@H](C)CCNC(=O)c2cccc(C)c2[O-])cc1 ZINC000436939586 338294675 /nfs/dbraw/zinc/29/46/75/338294675.db2.gz OWWCEUAFACXMHJ-CYBMUJFWSA-N -1 3 313.397 3.633 20 0 DHADHM Cc1nc(CC(C)C)c(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000436940840 338294791 /nfs/dbraw/zinc/29/47/91/338294791.db2.gz YMDVBFAHLVVISV-UHFFFAOYSA-N -1 3 304.415 3.916 20 0 DHADHM Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1[O-] ZINC000436942678 338294984 /nfs/dbraw/zinc/29/49/84/338294984.db2.gz WTTUBAJBZOEUAU-UHFFFAOYSA-N -1 3 323.343 3.743 20 0 DHADHM COc1cc(-c2noc(-c3ccccc3OC3CC3)n2)ccc1[O-] ZINC000436951670 338295477 /nfs/dbraw/zinc/29/54/77/338295477.db2.gz ZUMDRUXOHJSUJO-UHFFFAOYSA-N -1 3 324.336 3.659 20 0 DHADHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1ccc(F)cc1F ZINC000436951818 338295505 /nfs/dbraw/zinc/29/55/05/338295505.db2.gz TYIBHWSZKSGZHV-OAHLLOKOSA-N -1 3 321.323 3.560 20 0 DHADHM COc1cccc(C(=O)N2CCCCC[C@@H]2CC(C)C)c1[O-] ZINC000436953099 338295555 /nfs/dbraw/zinc/29/55/55/338295555.db2.gz LMRPLZYMBQJFOX-CQSZACIVSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1[O-] ZINC000436957271 338295983 /nfs/dbraw/zinc/29/59/83/338295983.db2.gz TUJAPEKXMSBIJS-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cnc([C@H](C)NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000436963535 338296064 /nfs/dbraw/zinc/29/60/64/338296064.db2.gz OHNDSYRYAPPURX-NSHDSACASA-N -1 3 316.426 3.527 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000436965424 338296148 /nfs/dbraw/zinc/29/61/48/338296148.db2.gz JKDDWSIDAGWDCJ-CQSZACIVSA-N -1 3 313.372 3.723 20 0 DHADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436980108 338296694 /nfs/dbraw/zinc/29/66/94/338296694.db2.gz MKXZLMMYUGXXMU-LLVKDONJSA-N -1 3 303.427 3.740 20 0 DHADHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)c(F)cc1F ZINC000155614506 338296871 /nfs/dbraw/zinc/29/68/71/338296871.db2.gz IAQKWNXOCPDFLR-UHFFFAOYSA-N -1 3 303.308 3.572 20 0 DHADHM CCC[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436990994 338296926 /nfs/dbraw/zinc/29/69/26/338296926.db2.gz RZESZKMOFAOGLZ-AWEZNQCLSA-N -1 3 317.429 3.901 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-n3cccn3)ccc2C)c([O-])c1C ZINC000436993764 338297202 /nfs/dbraw/zinc/29/72/02/338297202.db2.gz HAHOCJCSCAAPGR-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)c(C)c1 ZINC000436996063 338297248 /nfs/dbraw/zinc/29/72/48/338297248.db2.gz CLDXPDVVIUOHJP-KRWDZBQOSA-N -1 3 309.409 3.947 20 0 DHADHM COC(=O)c1ccc(C(=O)[N-]c2ccsc2Cl)s1 ZINC000438566137 338348432 /nfs/dbraw/zinc/34/84/32/338348432.db2.gz IMGHMYKRLMJCEF-UHFFFAOYSA-N -1 3 301.776 3.502 20 0 DHADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)CCc2ccccc2C1 ZINC000438748234 338351646 /nfs/dbraw/zinc/35/16/46/338351646.db2.gz XPDIWGNWSGEINR-IBGZPJMESA-N -1 3 306.365 3.889 20 0 DHADHM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C2 ZINC000439096132 338360950 /nfs/dbraw/zinc/36/09/50/338360950.db2.gz LZMUVFWZQQPECC-INIZCTEOSA-N -1 3 317.772 3.605 20 0 DHADHM CCC[C@H](C)c1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)n[nH]1 ZINC000439924692 338381039 /nfs/dbraw/zinc/38/10/39/338381039.db2.gz UFYZVWROMCUWGQ-JTQLQIEISA-N -1 3 313.361 3.549 20 0 DHADHM CCC[C@H](C)c1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)n[nH]1 ZINC000439924692 338381040 /nfs/dbraw/zinc/38/10/40/338381040.db2.gz UFYZVWROMCUWGQ-JTQLQIEISA-N -1 3 313.361 3.549 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](C)Cc2cccs2)c([O-])c1C ZINC000439993037 338382418 /nfs/dbraw/zinc/38/24/18/338382418.db2.gz KSWCQMRNKVZOTI-NSHDSACASA-N -1 3 303.427 3.679 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000440303379 338385274 /nfs/dbraw/zinc/38/52/74/338385274.db2.gz MMPNPUUWLSVBJF-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1[O-] ZINC000440726403 338396087 /nfs/dbraw/zinc/39/60/87/338396087.db2.gz MJNLQSXMAVWZPH-LLVKDONJSA-N -1 3 305.324 3.512 20 0 DHADHM Cc1cccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1[O-] ZINC000440726404 338396128 /nfs/dbraw/zinc/39/61/28/338396128.db2.gz MJNLQSXMAVWZPH-NSHDSACASA-N -1 3 305.324 3.512 20 0 DHADHM CC(C)c1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)c([O-])c1 ZINC000442683604 338427663 /nfs/dbraw/zinc/42/76/63/338427663.db2.gz WAMYSQGYOZTCGK-YPMHNXCESA-N -1 3 302.374 3.706 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447274158 338547965 /nfs/dbraw/zinc/54/79/65/338547965.db2.gz YZTMCFSXSWHSGD-UHFFFAOYSA-N -1 3 317.410 3.764 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CC(C)(C)C1 ZINC000452761841 338778304 /nfs/dbraw/zinc/77/83/04/338778304.db2.gz XTRNDZJHIRXGDY-UHFFFAOYSA-N -1 3 312.207 3.838 20 0 DHADHM CCCn1ncc(NC(=O)c2ccc(CC)cc2[O-])c1C1CC1 ZINC000452903433 338783686 /nfs/dbraw/zinc/78/36/86/338783686.db2.gz AJBJRSDHNMJIGR-UHFFFAOYSA-N -1 3 313.401 3.691 20 0 DHADHM CCc1ccc(-c2nc([C@@H](Cc3ccccc3)OC)no2)c([O-])c1 ZINC000453208142 338807926 /nfs/dbraw/zinc/80/79/26/338807926.db2.gz AOFGSKKMFIWGMS-QGZVFWFLSA-N -1 3 324.380 3.935 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(OC(C)C)cc2Cl)n1 ZINC000457762926 338977911 /nfs/dbraw/zinc/97/79/11/338977911.db2.gz KNUZWGIYYRBINQ-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM COc1cc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)ccc1[O-] ZINC000458169187 338990441 /nfs/dbraw/zinc/99/04/41/338990441.db2.gz FGABKUFEXZASJN-QGZVFWFLSA-N -1 3 317.429 3.832 20 0 DHADHM CCN(Cc1ccc(Cl)s1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459302282 339020472 /nfs/dbraw/zinc/02/04/72/339020472.db2.gz SGCMRANLPSOCLW-UHFFFAOYSA-N -1 3 323.849 3.797 20 0 DHADHM CCOc1cc(CN2CCS[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000459348969 339023699 /nfs/dbraw/zinc/02/36/99/339023699.db2.gz RIEKBTUKFXSCGA-LBPRGKRZSA-N -1 3 315.866 3.772 20 0 DHADHM O=c1cc(CN2CC[C@H]2c2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC000459352296 339023867 /nfs/dbraw/zinc/02/38/67/339023867.db2.gz HGTQMNIZQQARKV-HNNXBMFYSA-N -1 3 315.804 3.660 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1Cl ZINC000459387682 339026380 /nfs/dbraw/zinc/02/63/80/339026380.db2.gz NLIKUHXSKTVEGM-SECBINFHSA-N -1 3 321.783 3.703 20 0 DHADHM CCOc1cc(CN[C@H](C)c2nccn2CC)cc(Cl)c1[O-] ZINC000459574128 339036856 /nfs/dbraw/zinc/03/68/56/339036856.db2.gz RRFFPYSNCRVWPO-LLVKDONJSA-N -1 3 323.824 3.512 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000462300182 339075394 /nfs/dbraw/zinc/07/53/94/339075394.db2.gz RXVVXLUHRZYKLY-JTQLQIEISA-N -1 3 319.829 3.726 20 0 DHADHM CCC[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000462315927 339075617 /nfs/dbraw/zinc/07/56/17/339075617.db2.gz ROYCWPAEXIULKO-ZYHUDNBSSA-N -1 3 310.357 3.593 20 0 DHADHM CCC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000462315927 339075618 /nfs/dbraw/zinc/07/56/18/339075618.db2.gz ROYCWPAEXIULKO-ZYHUDNBSSA-N -1 3 310.357 3.593 20 0 DHADHM CCC[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000462315927 339075619 /nfs/dbraw/zinc/07/56/19/339075619.db2.gz ROYCWPAEXIULKO-ZYHUDNBSSA-N -1 3 310.357 3.593 20 0 DHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000462706670 339084134 /nfs/dbraw/zinc/08/41/34/339084134.db2.gz TXAWMHVWXVEAHW-WDEREUQCSA-N -1 3 323.380 3.808 20 0 DHADHM O=C(NCCC1=CCCCCC1)NCc1ccc([O-])c(F)c1 ZINC000464125947 339134720 /nfs/dbraw/zinc/13/47/20/339134720.db2.gz AWPKYKPMKUIGSR-UHFFFAOYSA-N -1 3 306.381 3.611 20 0 DHADHM C[C@@H](CCc1ccco1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468552361 339266073 /nfs/dbraw/zinc/26/60/73/339266073.db2.gz GZIOATKKBZTICK-ZDUSSCGKSA-N -1 3 319.376 3.585 20 0 DHADHM CC(C)CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469029426 339278025 /nfs/dbraw/zinc/27/80/25/339278025.db2.gz QKPWBUIMSWIMKK-UHFFFAOYSA-N -1 3 307.409 3.797 20 0 DHADHM C[C@@H]1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)c2c([O-])cccc21 ZINC000469209023 339283130 /nfs/dbraw/zinc/28/31/30/339283130.db2.gz CQRLINLYMKKXBS-CPUCHLNUSA-N -1 3 317.429 3.828 20 0 DHADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000469400953 339287913 /nfs/dbraw/zinc/28/79/13/339287913.db2.gz ASWPAAMGWDHSMD-JTQLQIEISA-N -1 3 321.364 3.562 20 0 DHADHM CCOc1nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2[n-]1 ZINC000469444031 339289605 /nfs/dbraw/zinc/28/96/05/339289605.db2.gz FXFJQHHWRAFRMW-LBPRGKRZSA-N -1 3 321.380 3.553 20 0 DHADHM CCOc1nc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2[n-]1 ZINC000469444031 339289606 /nfs/dbraw/zinc/28/96/06/339289606.db2.gz FXFJQHHWRAFRMW-LBPRGKRZSA-N -1 3 321.380 3.553 20 0 DHADHM CN(C[C@H]1CC=CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469553112 339293130 /nfs/dbraw/zinc/29/31/30/339293130.db2.gz ZGNISEJMTYIBKT-HNNXBMFYSA-N -1 3 305.393 3.669 20 0 DHADHM CC1(C)CCCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469657721 339294969 /nfs/dbraw/zinc/29/49/69/339294969.db2.gz GIILRDDYHKCGLC-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1cccc(F)c1 ZINC000469703906 339295921 /nfs/dbraw/zinc/29/59/21/339295921.db2.gz WLWJHCHPDOYSEV-UHFFFAOYSA-N -1 3 307.752 3.850 20 0 DHADHM Cc1ccoc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000469885858 339303888 /nfs/dbraw/zinc/30/38/88/339303888.db2.gz YMRCMXJZHMRKJP-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM CCC(CC)[C@H](NC(=O)c1csc(=O)[n-]1)c1cccs1 ZINC000471794700 339354221 /nfs/dbraw/zinc/35/42/21/339354221.db2.gz UPSZFQHJAWIQIG-LBPRGKRZSA-N -1 3 310.444 3.818 20 0 DHADHM CC(C)Oc1cccc(CN(C)Cc2cc([O-])cc(F)c2)c1 ZINC000473131978 339381824 /nfs/dbraw/zinc/38/18/24/339381824.db2.gz JULVIDXNPAETKU-UHFFFAOYSA-N -1 3 303.377 3.951 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479145055 339528082 /nfs/dbraw/zinc/52/80/82/339528082.db2.gz ZFZNWLIQVGJPBW-UHFFFAOYSA-N -1 3 322.386 3.545 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(CC)CCc2cccs2)c1 ZINC000481708693 339610411 /nfs/dbraw/zinc/61/04/11/339610411.db2.gz ADZIKEUKHZXQMU-UHFFFAOYSA-N -1 3 303.427 3.721 20 0 DHADHM [O-]c1cc(F)cc(CNC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000485725381 339711463 /nfs/dbraw/zinc/71/14/63/339711463.db2.gz NTYFUCVRMYEROW-HNNXBMFYSA-N -1 3 313.294 3.967 20 0 DHADHM [O-]c1ccc(Cc2nc(-c3ccc(F)c(F)c3)no2)c(Cl)c1 ZINC000486129585 339721810 /nfs/dbraw/zinc/72/18/10/339721810.db2.gz QHGRBKUWMUHWCE-UHFFFAOYSA-N -1 3 322.698 3.965 20 0 DHADHM CCc1cc(C(=O)N(C)c2ccc(SC)cc2)ccc1[O-] ZINC000486346370 339725570 /nfs/dbraw/zinc/72/55/70/339725570.db2.gz SIYGENGOQDWBBR-UHFFFAOYSA-N -1 3 301.411 3.953 20 0 DHADHM CCc1cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)ccc1[O-] ZINC000486462210 339727727 /nfs/dbraw/zinc/72/77/27/339727727.db2.gz BCUISRHBXOATHW-CQSZACIVSA-N -1 3 324.424 3.687 20 0 DHADHM CCc1cc(C(=O)Nc2ccc(F)cc2NC2CC2)ccc1[O-] ZINC000486628954 339730041 /nfs/dbraw/zinc/73/00/41/339730041.db2.gz NEAFQJHDPSXVNX-UHFFFAOYSA-N -1 3 314.360 3.920 20 0 DHADHM CCc1cc(C(=O)Nc2cc(-n3cccn3)ccc2C)ccc1[O-] ZINC000487317759 339750953 /nfs/dbraw/zinc/75/09/53/339750953.db2.gz HHUKIXPAPJBASM-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM O=c1[n-]c(-c2ccc(F)cn2)nc2cc(Cl)c(Cl)cc12 ZINC000487504877 339755301 /nfs/dbraw/zinc/75/53/01/339755301.db2.gz SSJSZVILJZPQOR-UHFFFAOYSA-N -1 3 310.115 3.843 20 0 DHADHM O=S(=O)([N-]CCC1=CCCCC1)c1cc(F)ccc1Cl ZINC000488941878 339797572 /nfs/dbraw/zinc/79/75/72/339797572.db2.gz KLNZDKUKYUISIB-UHFFFAOYSA-N -1 3 317.813 3.648 20 0 DHADHM Cc1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)ccc1[O-] ZINC000490103608 339826062 /nfs/dbraw/zinc/82/60/62/339826062.db2.gz QJGJQAYIZOEFBR-UHFFFAOYSA-N -1 3 305.324 3.742 20 0 DHADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000490651186 339836548 /nfs/dbraw/zinc/83/65/48/339836548.db2.gz RNLDDBZOSWAYJU-SECBINFHSA-N -1 3 319.744 3.517 20 0 DHADHM Cn1cc(/C=C\C(=O)Nc2ccc([O-])cc2F)c2ccccc21 ZINC000492445790 339900790 /nfs/dbraw/zinc/90/07/90/339900790.db2.gz HZSRFKSCANZUQJ-TWGQIWQCSA-N -1 3 310.328 3.675 20 0 DHADHM Cc1ccncc1/C=C/C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492453166 339901045 /nfs/dbraw/zinc/90/10/45/339901045.db2.gz DIWQGKRLJVFKAE-GORDUTHDSA-N -1 3 322.286 3.766 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1[O-] ZINC000499588143 340040008 /nfs/dbraw/zinc/04/00/08/340040008.db2.gz TXJLZZBBIKXOQW-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM Cc1cc(C(=O)NCc2ccccc2N2CCCCC2)ccc1[O-] ZINC000500062173 340049515 /nfs/dbraw/zinc/04/95/15/340049515.db2.gz VZZVRSGPOZSUKL-UHFFFAOYSA-N -1 3 324.424 3.621 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c1 ZINC000501244489 340077020 /nfs/dbraw/zinc/07/70/20/340077020.db2.gz NLOSMVYHBGXLHL-LJQANCHMSA-N -1 3 313.372 3.720 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3cccc(OC)c3)C2)c1 ZINC000501666021 340086282 /nfs/dbraw/zinc/08/62/82/340086282.db2.gz GJZUJBSLEAFOHF-UHFFFAOYSA-N -1 3 323.392 3.503 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccncc2Cl)c([O-])c1 ZINC000501946675 340091160 /nfs/dbraw/zinc/09/11/60/340091160.db2.gz JVLROIRBGWSMAB-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM O=C(Cc1ccc2c(c1)CCCC2)N1CCCc2cccc([O-])c21 ZINC000501984815 340092106 /nfs/dbraw/zinc/09/21/06/340092106.db2.gz NABXXGFRYYZDTG-UHFFFAOYSA-N -1 3 321.420 3.793 20 0 DHADHM Cc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c([O-])c1 ZINC000502953620 340117422 /nfs/dbraw/zinc/11/74/22/340117422.db2.gz XYPHACSOXHLZCF-MRXNPFEDSA-N -1 3 311.381 3.847 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503179975 340122711 /nfs/dbraw/zinc/12/27/11/340122711.db2.gz PNEDQEGQHLZRIW-UHFFFAOYSA-N -1 3 320.412 3.920 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503179975 340122712 /nfs/dbraw/zinc/12/27/12/340122712.db2.gz PNEDQEGQHLZRIW-UHFFFAOYSA-N -1 3 320.412 3.920 20 0 DHADHM CCCCCN(CCCCC)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503179975 340122713 /nfs/dbraw/zinc/12/27/13/340122713.db2.gz PNEDQEGQHLZRIW-UHFFFAOYSA-N -1 3 320.412 3.920 20 0 DHADHM C[C@@H](C(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F)C(F)(F)F ZINC000504571532 340149449 /nfs/dbraw/zinc/14/94/49/340149449.db2.gz WOPLDXPKJIWPBG-GZMMTYOYSA-N -1 3 313.241 3.779 20 0 DHADHM Cn1ccc2cccc(NC(=O)c3cc([O-])ccc3Cl)c21 ZINC000505727204 340175810 /nfs/dbraw/zinc/17/58/10/340175810.db2.gz PEPVWDTXZCLJCO-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM CC(C)CC(CC(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000505757336 340176806 /nfs/dbraw/zinc/17/68/06/340176806.db2.gz RDPYONJXCISDCE-UHFFFAOYSA-N -1 3 314.429 3.719 20 0 DHADHM CCCCOc1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000508768128 340252768 /nfs/dbraw/zinc/25/27/68/340252768.db2.gz CFBFMCRTFDXOHR-UHFFFAOYSA-N -1 3 313.397 3.544 20 0 DHADHM CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000509084950 340260790 /nfs/dbraw/zinc/26/07/90/340260790.db2.gz XSNCYEBZASTOSR-UHFFFAOYSA-N -1 3 303.789 3.640 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc2c1OCCC2 ZINC000509252548 340264526 /nfs/dbraw/zinc/26/45/26/340264526.db2.gz ASFNJSNLDIUHQU-UHFFFAOYSA-N -1 3 317.772 3.552 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CCCc3ccccc32)c1F ZINC000509768315 340278632 /nfs/dbraw/zinc/27/86/32/340278632.db2.gz WEWAXQKSFQKCFU-CYBMUJFWSA-N -1 3 303.352 3.880 20 0 DHADHM Cc1cccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c1[O-] ZINC000302688958 340278883 /nfs/dbraw/zinc/27/88/83/340278883.db2.gz OFKVTKSAQIHJDI-KRWDZBQOSA-N -1 3 307.349 3.813 20 0 DHADHM CC(C)COc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000510080640 340287779 /nfs/dbraw/zinc/28/77/79/340287779.db2.gz YPOOWFHBXZSOPZ-UHFFFAOYSA-N -1 3 321.367 3.995 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1F ZINC000303168385 340308240 /nfs/dbraw/zinc/30/82/40/340308240.db2.gz IJARCWLPUXUXPU-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@H](NCc1c(F)ccc([O-])c1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000511488530 340328404 /nfs/dbraw/zinc/32/84/04/340328404.db2.gz OJUBCYYLFRCGLP-LIBAHTEVSA-N -1 3 319.351 3.713 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC000304045178 340359087 /nfs/dbraw/zinc/35/90/87/340359087.db2.gz OGOLDVGTEBQFBZ-RDJZCZTQSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 ZINC000304070686 340359652 /nfs/dbraw/zinc/35/96/52/340359652.db2.gz UITIWOQCAUPIPG-NVXWUHKLSA-N -1 3 309.409 3.966 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C ZINC000512587452 340368108 /nfs/dbraw/zinc/36/81/08/340368108.db2.gz LEFRIYUJAWLVOV-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000512903677 340383424 /nfs/dbraw/zinc/38/34/24/340383424.db2.gz DMQZUHHOTYBCGT-JSGCOSHPSA-N -1 3 305.418 3.833 20 0 DHADHM COC[C@H](Cc1ccccc1)N(C)Cc1cccc([O-])c1Cl ZINC000513145045 340395047 /nfs/dbraw/zinc/39/50/47/340395047.db2.gz PMXUJEMBTVHDER-INIZCTEOSA-N -1 3 319.832 3.735 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(C)(C)C ZINC000517284438 340467492 /nfs/dbraw/zinc/46/74/92/340467492.db2.gz CQGQKXVYCFRJEY-NSHDSACASA-N -1 3 307.818 3.582 20 0 DHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc([O-])cc1F ZINC000183264546 340487136 /nfs/dbraw/zinc/48/71/36/340487136.db2.gz DJWPCDQANDFTFC-OAHLLOKOSA-N -1 3 303.333 3.636 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2c(F)cccc2OC)on1 ZINC000184486911 340493319 /nfs/dbraw/zinc/49/33/19/340493319.db2.gz JZGLZYLSCHWNDI-UHFFFAOYSA-N -1 3 306.337 3.978 20 0 DHADHM COc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000187051582 340517478 /nfs/dbraw/zinc/51/74/78/340517478.db2.gz KJFJLJYIRFXBDR-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(C)C)c1nccs1 ZINC000190681336 340546474 /nfs/dbraw/zinc/54/64/74/340546474.db2.gz RLHCCJUHZZDNPH-CYBMUJFWSA-N -1 3 324.471 3.696 20 0 DHADHM [O-]c1ccc(-c2noc(-c3csc(Br)c3)n2)cc1 ZINC000225259769 340566053 /nfs/dbraw/zinc/56/60/53/340566053.db2.gz BEVZZOPBMMYWMG-UHFFFAOYSA-N -1 3 323.171 3.933 20 0 DHADHM CCCn1ccc2cc(NC(=O)[N-]c3cnns3)ccc21 ZINC000192344733 340566256 /nfs/dbraw/zinc/56/62/56/340566256.db2.gz RWRTUSOOMZZSQA-UHFFFAOYSA-N -1 3 301.375 3.547 20 0 DHADHM CN(Cc1cccc(Cl)c1)C(=O)c1cc([O-])ccc1Cl ZINC000234293642 340652031 /nfs/dbraw/zinc/65/20/31/340652031.db2.gz QTBWEVWLWZVTNR-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000524872864 340683058 /nfs/dbraw/zinc/68/30/58/340683058.db2.gz QTUPHEBEVDYHRN-CMPLNLGQSA-N -1 3 319.829 3.726 20 0 DHADHM CC(C)C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000524885479 340683513 /nfs/dbraw/zinc/68/35/13/340683513.db2.gz DILGGJMDSMAXJZ-INIZCTEOSA-N -1 3 315.388 3.977 20 0 DHADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(C)ccc1C ZINC000528801924 340735029 /nfs/dbraw/zinc/73/50/29/340735029.db2.gz YCQWOEPZPWDACT-QGZVFWFLSA-N -1 3 311.429 3.917 20 0 DHADHM Cn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c2ccccc21 ZINC000528877711 340737791 /nfs/dbraw/zinc/73/77/91/340737791.db2.gz RQPMEUZSXCMFKP-UHFFFAOYSA-N -1 3 323.396 3.829 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCC12CC2 ZINC000528907744 340738506 /nfs/dbraw/zinc/73/85/06/340738506.db2.gz YVYSMZUEEITJDP-SNVBAGLBSA-N -1 3 310.191 3.674 20 0 DHADHM CC1(C)CC(CNC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000530291789 340786671 /nfs/dbraw/zinc/78/66/71/340786671.db2.gz OWFRUYQNQDHLEA-UHFFFAOYSA-N -1 3 301.308 3.577 20 0 DHADHM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc([O-])c1F ZINC000128272718 340864147 /nfs/dbraw/zinc/86/41/47/340864147.db2.gz LRMDULWIDFLUMP-UHFFFAOYSA-N -1 3 317.360 3.981 20 0 DHADHM COc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000128301661 340867382 /nfs/dbraw/zinc/86/73/82/340867382.db2.gz XPSSFPYQZAHTJO-VMPITWQZSA-N -1 3 321.735 3.845 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)c2ccccc2)o1 ZINC000539109806 340873837 /nfs/dbraw/zinc/87/38/37/340873837.db2.gz XLVCNMGXBQNHIQ-ZDUSSCGKSA-N -1 3 321.442 3.623 20 0 DHADHM CCc1ccc([O-])c(C(=O)NC2(c3nccs3)CCCC2)c1 ZINC000539844087 340905557 /nfs/dbraw/zinc/90/55/57/340905557.db2.gz AGIAUWLQXMPUGV-UHFFFAOYSA-N -1 3 316.426 3.610 20 0 DHADHM CCc1cccc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)c1[O-] ZINC000539865488 340907625 /nfs/dbraw/zinc/90/76/25/340907625.db2.gz YBOPXAUWEGJZCX-UHFFFAOYSA-N -1 3 321.380 3.905 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129510755 340967803 /nfs/dbraw/zinc/96/78/03/340967803.db2.gz LJPNNLHPXBLWKX-IUCAKERBSA-N -1 3 305.271 3.839 20 0 DHADHM Cc1csc2[n-]c(COc3ccc(Cl)cc3)nc(=O)c12 ZINC000070694422 341006267 /nfs/dbraw/zinc/00/62/67/341006267.db2.gz SLBYXBRJZUEVPJ-UHFFFAOYSA-N -1 3 306.774 3.525 20 0 DHADHM CC(C)(C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(F)(F)F ZINC000542816547 341021828 /nfs/dbraw/zinc/02/18/28/341021828.db2.gz RDXLSUHRJZBTTD-LBPRGKRZSA-N -1 3 323.742 3.681 20 0 DHADHM CC(C)N(Cc1cccs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264985 341027338 /nfs/dbraw/zinc/02/73/38/341027338.db2.gz JLILCLOCKVJVNK-UHFFFAOYSA-N -1 3 307.390 3.996 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000130865566 341050282 /nfs/dbraw/zinc/05/02/82/341050282.db2.gz AKLRHKWYOOUQFU-SNVBAGLBSA-N -1 3 313.781 3.519 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC[C@H]1c1ccccn1 ZINC000543617988 341051185 /nfs/dbraw/zinc/05/11/85/341051185.db2.gz IFXCAYLTKBVQJW-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cncc2ccccc21 ZINC000543746438 341056669 /nfs/dbraw/zinc/05/66/69/341056669.db2.gz HMSOUFWRXGFKPK-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000544667143 341090626 /nfs/dbraw/zinc/09/06/26/341090626.db2.gz GBSCETRTYATHSB-GFCCVEGCSA-N -1 3 323.380 3.640 20 0 DHADHM C[C@@H]1CCC[C@H](CCN(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131686740 341108157 /nfs/dbraw/zinc/10/81/57/341108157.db2.gz OJVMQOFQGKAVEG-CHWSQXEVSA-N -1 3 319.474 3.633 20 0 DHADHM COc1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)cc1 ZINC000131913881 341113611 /nfs/dbraw/zinc/11/36/11/341113611.db2.gz WHYHEVANWIPXRT-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM C[C@H]1CCN(C(=O)CC2CCSCC2)c2c([O-])cccc21 ZINC000545246153 341117059 /nfs/dbraw/zinc/11/70/59/341117059.db2.gz REOLIXOCKUZFED-LBPRGKRZSA-N -1 3 305.443 3.766 20 0 DHADHM CSc1cccc(C)c1[N-]C(=O)c1nc(C)ncc1Cl ZINC000545314613 341120865 /nfs/dbraw/zinc/12/08/65/341120865.db2.gz NGLLXQYMESJYMB-UHFFFAOYSA-N -1 3 307.806 3.721 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1[O-] ZINC000545746604 341139219 /nfs/dbraw/zinc/13/92/19/341139219.db2.gz KYSVFWFWRSJEDW-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM CCc1cccc(-c2nc(-c3cccc(COC)c3)no2)c1[O-] ZINC000546340592 341164222 /nfs/dbraw/zinc/16/42/22/341164222.db2.gz CHXXLEXWPWJVIJ-UHFFFAOYSA-N -1 3 310.353 3.818 20 0 DHADHM Cc1ccc(-c2nc(C3Cc4ccccc4C3)no2)c([O-])c1C ZINC000546384009 341166005 /nfs/dbraw/zinc/16/60/05/341166005.db2.gz PLJJRRMWZMEPNM-UHFFFAOYSA-N -1 3 306.365 3.941 20 0 DHADHM C[C@H](c1noc(-c2cc3c(cc2[O-])CCCC3)n1)c1ccncc1 ZINC000547218371 341201713 /nfs/dbraw/zinc/20/17/13/341201713.db2.gz FBBPDCDTQQGSNB-LBPRGKRZSA-N -1 3 321.380 3.868 20 0 DHADHM O=C(/C=C/c1cc(Cl)ccc1Cl)[N-]OCC(F)(F)F ZINC000135215517 341233369 /nfs/dbraw/zinc/23/33/69/341233369.db2.gz RWMCCPVGVIKBQX-DAFODLJHSA-N -1 3 314.090 3.617 20 0 DHADHM CCc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000547839156 341236754 /nfs/dbraw/zinc/23/67/54/341236754.db2.gz KFPPCQVBYSCUFC-ZWNOBZJWSA-N -1 3 315.335 3.758 20 0 DHADHM CN(Cc1ccccc1Cl)C(=O)Cc1ccc([O-])cc1Cl ZINC000136052248 341251661 /nfs/dbraw/zinc/25/16/61/341251661.db2.gz JDWJJQIOYZWTFL-UHFFFAOYSA-N -1 3 324.207 3.900 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000549173776 341287862 /nfs/dbraw/zinc/28/78/62/341287862.db2.gz VBLICAKIPOWXCB-OWLYRPNTSA-N -1 3 323.440 3.962 20 0 DHADHM COC(=O)c1c(C)[n-]c(=O)nc1SC[C@@H](C)C1CCCCC1 ZINC000549340816 341291527 /nfs/dbraw/zinc/29/15/27/341291527.db2.gz KLUOPZJBYJRFLU-SNVBAGLBSA-N -1 3 324.446 3.586 20 0 DHADHM CCOc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1C ZINC000550873984 341325257 /nfs/dbraw/zinc/32/52/57/341325257.db2.gz MEYCHUARRMDRMQ-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM O=C(Cc1c[nH]c2ccccc12)Nc1c([O-])cccc1Cl ZINC000552432386 341393447 /nfs/dbraw/zinc/39/34/47/341393447.db2.gz GYANAUCIUCWNAL-UHFFFAOYSA-N -1 3 300.745 3.708 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1occc1Br ZINC000552434099 341393532 /nfs/dbraw/zinc/39/35/32/341393532.db2.gz BRKHYGTVPHXJTL-UHFFFAOYSA-N -1 3 316.538 3.653 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC000089408623 341404200 /nfs/dbraw/zinc/40/42/00/341404200.db2.gz AIIOBOSTTCYCGN-UHFFFAOYSA-N -1 3 317.370 3.823 20 0 DHADHM COc1cc(C(=O)[N-]c2ccccc2Oc2ccccc2)on1 ZINC000090706891 341418581 /nfs/dbraw/zinc/41/85/81/341418581.db2.gz AISFBSOWHMESQI-UHFFFAOYSA-N -1 3 310.309 3.728 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000093926893 341486664 /nfs/dbraw/zinc/48/66/64/341486664.db2.gz SUVBAHSTWILKDS-UHFFFAOYSA-N -1 3 301.411 3.821 20 0 DHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000565101857 341517157 /nfs/dbraw/zinc/51/71/57/341517157.db2.gz ZEVLOYJAMIXYIU-GFCCVEGCSA-N -1 3 321.726 3.740 20 0 DHADHM O=C([O-])CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000565107336 341517551 /nfs/dbraw/zinc/51/75/51/341517551.db2.gz VDMVPVWUIYQNGX-UHFFFAOYSA-N -1 3 318.804 3.575 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CSc2ccccc21 ZINC000153441574 341540566 /nfs/dbraw/zinc/54/05/66/341540566.db2.gz LGDJHVGAFJLSPW-NSHDSACASA-N -1 3 305.786 3.874 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2cccc(-c3ncco3)c2)c1[O-] ZINC000154170873 341586000 /nfs/dbraw/zinc/58/60/00/341586000.db2.gz UYCGEYZMXHINBV-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC(C)Cn1ccnc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000569295908 341696962 /nfs/dbraw/zinc/69/69/62/341696962.db2.gz BTYLTUZFTFXXBE-UHFFFAOYSA-N -1 3 322.821 3.988 20 0 DHADHM CCc1cc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)ccc1[O-] ZINC000572934743 341709998 /nfs/dbraw/zinc/70/99/98/341709998.db2.gz YNKRCHKXKNNJSP-SFHVURJKSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1cc(CN2CCC(C)(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000573259088 341722810 /nfs/dbraw/zinc/72/28/10/341722810.db2.gz GSHDTWCMGVBNHD-UHFFFAOYSA-N -1 3 313.397 3.840 20 0 DHADHM CC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000575322696 341792626 /nfs/dbraw/zinc/79/26/26/341792626.db2.gz RHPKTZALOGYYTQ-ZDUSSCGKSA-N -1 3 302.201 3.851 20 0 DHADHM COc1cccnc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000575413219 341797262 /nfs/dbraw/zinc/79/72/62/341797262.db2.gz UOQFSASBPYCJNU-UHFFFAOYSA-N -1 3 307.762 3.539 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000174875262 341832609 /nfs/dbraw/zinc/83/26/09/341832609.db2.gz KHQYEJUEDBHIKO-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM Cc1cccc2c1ncc(C)c2N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000576706971 341859531 /nfs/dbraw/zinc/85/95/31/341859531.db2.gz GTWVSHSGFFVQFF-HNNXBMFYSA-N -1 3 310.397 3.543 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000192725662 341886659 /nfs/dbraw/zinc/88/66/59/341886659.db2.gz MZGCGVIABGZEEZ-GHMZBOCLSA-N -1 3 323.343 3.504 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1coc(C2CCCCC2)n1 ZINC000577256004 341900487 /nfs/dbraw/zinc/90/04/87/341900487.db2.gz ANHSCHTUAOOJNR-UHFFFAOYSA-N -1 3 304.321 3.819 20 0 DHADHM CC(C)(C)Oc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000157430361 518896175 /nfs/dbraw/zinc/89/61/75/518896175.db2.gz ZTLWQPFAIXVZRV-UHFFFAOYSA-N -1 3 320.311 3.869 20 0 DHADHM CC(C)(C)Oc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157430361 518896180 /nfs/dbraw/zinc/89/61/80/518896180.db2.gz ZTLWQPFAIXVZRV-UHFFFAOYSA-N -1 3 320.311 3.869 20 0 DHADHM CCCOc1cc(C)ccc1NC([O-])=NOCCC(F)(F)F ZINC000156617896 520301278 /nfs/dbraw/zinc/30/12/78/520301278.db2.gz AZHIJBUIVNTTOS-UHFFFAOYSA-N -1 3 320.311 3.789 20 0 DHADHM CCCOc1cc(C)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000156617896 520301293 /nfs/dbraw/zinc/30/12/93/520301293.db2.gz AZHIJBUIVNTTOS-UHFFFAOYSA-N -1 3 320.311 3.789 20 0 DHADHM CC[C@H](C)[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265646243 521891422 /nfs/dbraw/zinc/89/14/22/521891422.db2.gz LVQZRNBELTYFJH-AAEUAGOBSA-N -1 3 305.447 3.798 20 0 DHADHM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000189059060 524149566 /nfs/dbraw/zinc/14/95/66/524149566.db2.gz DJTZYDRUYDHJEZ-VHSXEESVSA-N -1 3 301.308 3.720 20 0 DHADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])c2cnn(C(C)C)c2n1 ZINC000183036715 524156582 /nfs/dbraw/zinc/15/65/82/524156582.db2.gz ZQBNSHANDOLNMC-UHFFFAOYSA-N -1 3 324.384 3.587 20 0 DHADHM C[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000336915990 524334818 /nfs/dbraw/zinc/33/48/18/524334818.db2.gz BRTOPOPEAYHVBX-SCZZXKLOSA-N -1 3 309.822 3.710 20 0 DHADHM COc1ccc(N(C(=O)c2cccc([O-])c2)[C@H](C)C2CC2)cc1 ZINC000182271635 524338031 /nfs/dbraw/zinc/33/80/31/524338031.db2.gz LZJKJSJXTPJDCE-CYBMUJFWSA-N -1 3 311.381 3.846 20 0 DHADHM Cc1cccc(NC2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000157772237 524669144 /nfs/dbraw/zinc/66/91/44/524669144.db2.gz PYJOHXTZHHRHSK-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000365674867 525293576 /nfs/dbraw/zinc/29/35/76/525293576.db2.gz DJPRKBIEEAGEHH-BZNIZROVSA-N -1 3 316.788 3.664 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc2n[nH]cc2c1 ZINC000339397571 525536615 /nfs/dbraw/zinc/53/66/15/525536615.db2.gz LHQYWWYFMFJSNQ-SNVBAGLBSA-N -1 3 301.777 3.773 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)o1 ZINC000108249220 526230433 /nfs/dbraw/zinc/23/04/33/526230433.db2.gz GHRALWPATLUWHW-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000364226927 526333393 /nfs/dbraw/zinc/33/33/93/526333393.db2.gz OFNYSFWIQLVMFR-UHFFFAOYSA-N -1 3 313.372 3.553 20 0 DHADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c1C ZINC000267077752 526639712 /nfs/dbraw/zinc/63/97/12/526639712.db2.gz JNMYVZZMFQMIKD-CYBMUJFWSA-N -1 3 302.374 3.821 20 0 DHADHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccccc1[O-] ZINC000339163638 526751780 /nfs/dbraw/zinc/75/17/80/526751780.db2.gz FTSWOXWYYXZWFM-UHFFFAOYSA-N -1 3 314.366 3.598 20 0 DHADHM Cc1nc([N-]C(=O)c2nc(-c3ccccc3)cs2)cs1 ZINC000338222027 526995541 /nfs/dbraw/zinc/99/55/41/526995541.db2.gz WUARBNAPDPPIEZ-UHFFFAOYSA-N -1 3 301.396 3.827 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccoc1C1CC1 ZINC000337063846 527101440 /nfs/dbraw/zinc/10/14/40/527101440.db2.gz UACCJOMYMVHTLT-UHFFFAOYSA-N -1 3 322.158 3.877 20 0 DHADHM O=[S@](C=C([O-])c1ccc[nH]1)C(c1ccccc1)c1ccccc1 ZINC000339154441 527189272 /nfs/dbraw/zinc/18/92/72/527189272.db2.gz PGPZYYDQZPVHKF-HSZRJFAPSA-N -1 3 323.417 3.736 20 0 DHADHM Cc1ncc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)s1 ZINC000339044158 527305977 /nfs/dbraw/zinc/30/59/77/527305977.db2.gz OHPIBMGFRDLQEZ-CQSZACIVSA-N -1 3 324.471 3.517 20 0 DHADHM O=C([N-]c1nc(-c2cc3ccccc3o2)cs1)c1ccon1 ZINC000102890180 527498888 /nfs/dbraw/zinc/49/88/88/527498888.db2.gz IOCPWFPCNIJBJK-UHFFFAOYSA-N -1 3 311.322 3.797 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccoc1C1CC1 ZINC000337050888 527503086 /nfs/dbraw/zinc/50/30/86/527503086.db2.gz OQNIFJJZDVOUDN-UHFFFAOYSA-N -1 3 317.395 3.989 20 0 DHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cscn1 ZINC000103011695 527529743 /nfs/dbraw/zinc/52/97/43/527529743.db2.gz HSLJASAEJMKPSM-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC(C)OCCCc1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000273781814 535328982 /nfs/dbraw/zinc/32/89/82/535328982.db2.gz DQMUHPFKKZKSLY-UHFFFAOYSA-N -1 3 304.177 3.729 20 0 DHADHM CCc1c([N-]C(=O)c2cc(C(C)C)no2)onc1C(F)(F)F ZINC000287656814 536077956 /nfs/dbraw/zinc/07/79/56/536077956.db2.gz BAYOKIICWKFJFL-UHFFFAOYSA-N -1 3 317.267 3.620 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000028427309 563751558 /nfs/dbraw/zinc/75/15/58/563751558.db2.gz ZUHHQCQGQUPNID-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM Fc1ccc(N[C@@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822778457 599054087 /nfs/dbraw/zinc/05/40/87/599054087.db2.gz IIFZZSYOOGHQFQ-KRWDZBQOSA-N -1 3 323.375 3.959 20 0 DHADHM Fc1ccc(N[C@@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822778457 599054090 /nfs/dbraw/zinc/05/40/90/599054090.db2.gz IIFZZSYOOGHQFQ-KRWDZBQOSA-N -1 3 323.375 3.959 20 0 DHADHM c1cc(SCc2ccc(-c3nnn[n-]3)cc2)cc2c1CCC2 ZINC000738412117 599055101 /nfs/dbraw/zinc/05/51/01/599055101.db2.gz HQKZSMIRWQIDAK-UHFFFAOYSA-N -1 3 308.410 3.648 20 0 DHADHM c1cc(SCc2ccc(-c3nn[n-]n3)cc2)cc2c1CCC2 ZINC000738412117 599055104 /nfs/dbraw/zinc/05/51/04/599055104.db2.gz HQKZSMIRWQIDAK-UHFFFAOYSA-N -1 3 308.410 3.648 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735644076 599064748 /nfs/dbraw/zinc/06/47/48/599064748.db2.gz TVUJQNVJUMPTIS-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735644076 599064751 /nfs/dbraw/zinc/06/47/51/599064751.db2.gz TVUJQNVJUMPTIS-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM Cc1nc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737483969 599173426 /nfs/dbraw/zinc/17/34/26/599173426.db2.gz QVWQUJDZPOMMPO-SNVBAGLBSA-N -1 3 317.443 3.793 20 0 DHADHM Cc1nc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737483969 599173429 /nfs/dbraw/zinc/17/34/29/599173429.db2.gz QVWQUJDZPOMMPO-SNVBAGLBSA-N -1 3 317.443 3.793 20 0 DHADHM c1sc(Nc2ccc(-c3nn[n-]n3)cc2)nc1C1CCCC1 ZINC000823743244 599237591 /nfs/dbraw/zinc/23/75/91/599237591.db2.gz WKRLSFWDINXPAV-UHFFFAOYSA-N -1 3 312.402 3.724 20 0 DHADHM c1sc(CNc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000823802540 607308689 /nfs/dbraw/zinc/30/86/89/607308689.db2.gz RUXUOKFNNFFIMF-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1sc(CNc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000823802540 607308690 /nfs/dbraw/zinc/30/86/90/607308690.db2.gz RUXUOKFNNFFIMF-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1cccc(Cl)c1 ZINC000737651359 598294151 /nfs/dbraw/zinc/29/41/51/598294151.db2.gz RVSKXAIEWFHOEY-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1cccc(Cl)c1 ZINC000737651359 598294152 /nfs/dbraw/zinc/29/41/52/598294152.db2.gz RVSKXAIEWFHOEY-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Cc1ccc(-c2nc3ccccc3c(C)c2-c2nnn[n-]2)s1 ZINC000737288502 598313498 /nfs/dbraw/zinc/31/34/98/598313498.db2.gz NXQPYSOIMPLHOR-UHFFFAOYSA-N -1 3 307.382 3.760 20 0 DHADHM Cc1ccc(-c2nc3ccccc3c(C)c2-c2nn[n-]n2)s1 ZINC000737288502 598313500 /nfs/dbraw/zinc/31/35/00/598313500.db2.gz NXQPYSOIMPLHOR-UHFFFAOYSA-N -1 3 307.382 3.760 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736139281 598630162 /nfs/dbraw/zinc/63/01/62/598630162.db2.gz PZXNEZQYNACAJN-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736139281 598630164 /nfs/dbraw/zinc/63/01/64/598630164.db2.gz PZXNEZQYNACAJN-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CC(C)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735928388 598673819 /nfs/dbraw/zinc/67/38/19/598673819.db2.gz KXRAYGMYEDEVCS-UHFFFAOYSA-N -1 3 312.348 3.708 20 0 DHADHM CC(C)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735928388 598673821 /nfs/dbraw/zinc/67/38/21/598673821.db2.gz KXRAYGMYEDEVCS-UHFFFAOYSA-N -1 3 312.348 3.708 20 0 DHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820554940 599344847 /nfs/dbraw/zinc/34/48/47/599344847.db2.gz CALYHXGJEOHXLZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820554940 599344849 /nfs/dbraw/zinc/34/48/49/599344849.db2.gz CALYHXGJEOHXLZ-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](CCc1ccco1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735994462 599396090 /nfs/dbraw/zinc/39/60/90/599396090.db2.gz YOCQYXTXBXPASG-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](CCc1ccco1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735994462 599396093 /nfs/dbraw/zinc/39/60/93/599396093.db2.gz YOCQYXTXBXPASG-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1cccs1 ZINC000820451028 599464555 /nfs/dbraw/zinc/46/45/55/599464555.db2.gz RCNJTNNACSDLHV-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1cccs1 ZINC000820451028 599464557 /nfs/dbraw/zinc/46/45/57/599464557.db2.gz RCNJTNNACSDLHV-MRVPVSSYSA-N -1 3 305.794 3.755 20 0 DHADHM Fc1ccc(NCc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000822782741 599498611 /nfs/dbraw/zinc/49/86/11/599498611.db2.gz DVKHHIGQZBHZSD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1ccc(NCc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000822782741 599498612 /nfs/dbraw/zinc/49/86/12/599498612.db2.gz DVKHHIGQZBHZSD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000736392335 599520526 /nfs/dbraw/zinc/52/05/26/599520526.db2.gz QTEVGRZRCSUFQZ-CYBMUJFWSA-N -1 3 315.377 3.644 20 0 DHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000736392335 599520529 /nfs/dbraw/zinc/52/05/29/599520529.db2.gz QTEVGRZRCSUFQZ-CYBMUJFWSA-N -1 3 315.377 3.644 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000736661972 599709790 /nfs/dbraw/zinc/70/97/90/599709790.db2.gz KIVUUAIZSCPNPB-BMIGLBTASA-N -1 3 307.752 3.956 20 0 DHADHM CC(C)COc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000736448314 599786886 /nfs/dbraw/zinc/78/68/86/599786886.db2.gz KWTKVNJFTPOPLP-GOSISDBHSA-N -1 3 313.397 3.637 20 0 DHADHM O=C([O-])c1occc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000740281578 599803772 /nfs/dbraw/zinc/80/37/72/599803772.db2.gz LIWLXOJBHGJREJ-UHFFFAOYSA-N -1 3 303.333 3.676 20 0 DHADHM CCc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000737265840 600082747 /nfs/dbraw/zinc/08/27/47/600082747.db2.gz TYBNVBUPZZHXRU-UHFFFAOYSA-N -1 3 301.361 3.718 20 0 DHADHM O=C([O-])c1cccc(OCCN2CCCC[C@@H]2c2ccco2)c1 ZINC000740231327 600218048 /nfs/dbraw/zinc/21/80/48/600218048.db2.gz LKXIKPIPHSNXBT-MRXNPFEDSA-N -1 3 315.369 3.584 20 0 DHADHM CCC[C@](C)(NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000036808378 600321097 /nfs/dbraw/zinc/32/10/97/600321097.db2.gz RARATVDNXDUIHZ-AWEZNQCLSA-N -1 3 310.444 3.605 20 0 DHADHM CN(Cc1cccc(F)c1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737485989 600398177 /nfs/dbraw/zinc/39/81/77/600398177.db2.gz BAYVHHRKQBZEDA-HNNXBMFYSA-N -1 3 307.752 3.737 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000736661981 600416814 /nfs/dbraw/zinc/41/68/14/600416814.db2.gz KJAZCHGXQQYYQZ-PSLIRLAXSA-N -1 3 309.287 3.580 20 0 DHADHM CC[C@H](c1ccc(F)cc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000582306121 600432631 /nfs/dbraw/zinc/43/26/31/600432631.db2.gz BVXNSTCDILLJKJ-DZGCQCFKSA-N -1 3 309.356 3.603 20 0 DHADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832921885 600741813 /nfs/dbraw/zinc/74/18/13/600741813.db2.gz YBSOZICTHANVCG-GUYCJALGSA-N -1 3 301.361 3.919 20 0 DHADHM CC[C@H]1CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829124833 600824799 /nfs/dbraw/zinc/82/47/99/600824799.db2.gz BCRUAQDRSUVUNC-HNNXBMFYSA-N -1 3 316.426 3.883 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000263572254 600965662 /nfs/dbraw/zinc/96/56/62/600965662.db2.gz KRLPDLWKQWVNNU-LBPRGKRZSA-N -1 3 318.442 3.905 20 0 DHADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000519613050 601117395 /nfs/dbraw/zinc/11/73/95/601117395.db2.gz WXFRCSPLMUQRIB-BZNIZROVSA-N -1 3 303.333 3.700 20 0 DHADHM CCN(Cc1ccc(F)cc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829718672 601375140 /nfs/dbraw/zinc/37/51/40/601375140.db2.gz MWYKMINNZWMUOF-GFCCVEGCSA-N -1 3 317.360 3.813 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000828672593 601433012 /nfs/dbraw/zinc/43/30/12/601433012.db2.gz TWVYEGUWBZIKGR-AWEZNQCLSA-N -1 3 310.444 3.605 20 0 DHADHM C[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H]1C ZINC000828295506 601451352 /nfs/dbraw/zinc/45/13/52/601451352.db2.gz ISZKOTTZBLPAKV-RYUDHWBXSA-N -1 3 316.426 3.739 20 0 DHADHM CCCc1nc(CNC2(C(=O)[O-])CCC(CC)CC2)cs1 ZINC000829570502 601494627 /nfs/dbraw/zinc/49/46/27/601494627.db2.gz FFZZJFUNAUDGNM-UHFFFAOYSA-N -1 3 310.463 3.609 20 0 DHADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832921666 601500211 /nfs/dbraw/zinc/50/02/11/601500211.db2.gz UMLQJYQYCBRLJT-ZBEGNZNMSA-N -1 3 305.324 3.750 20 0 DHADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832921661 601500319 /nfs/dbraw/zinc/50/03/19/601500319.db2.gz UMLQJYQYCBRLJT-BDJLRTHQSA-N -1 3 305.324 3.750 20 0 DHADHM O=C([O-])CN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000238161786 601548181 /nfs/dbraw/zinc/54/81/81/601548181.db2.gz QSYNBPDBNFTNIB-MRXNPFEDSA-N -1 3 301.773 3.524 20 0 DHADHM Cc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832951191 601642104 /nfs/dbraw/zinc/64/21/04/601642104.db2.gz RJRLSYZMTVDESF-OAHLLOKOSA-N -1 3 321.323 3.512 20 0 DHADHM O=C([O-])c1sccc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000833347394 601806326 /nfs/dbraw/zinc/80/63/26/601806326.db2.gz BPQHDXMUOVWNNO-UHFFFAOYSA-N -1 3 317.385 3.875 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000578076609 601821532 /nfs/dbraw/zinc/82/15/32/601821532.db2.gz RDGQBTQCRKVYMJ-AWEZNQCLSA-N -1 3 317.410 3.792 20 0 DHADHM O=C([O-])c1sccc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000833348330 601828744 /nfs/dbraw/zinc/82/87/44/601828744.db2.gz HMMGJNIIOCSQBD-CQSZACIVSA-N -1 3 319.451 3.736 20 0 DHADHM O=C([O-])CC1(NCc2ncc(-c3cccs3)o2)CCCCC1 ZINC000833206006 601882417 /nfs/dbraw/zinc/88/24/17/601882417.db2.gz UNVPPDLHJBYGJU-UHFFFAOYSA-N -1 3 320.414 3.670 20 0 DHADHM COCCN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC000831735347 601945234 /nfs/dbraw/zinc/94/52/34/601945234.db2.gz PWGODRUHYZVVOH-ZDUSSCGKSA-N -1 3 319.426 3.656 20 0 DHADHM O=C([O-])c1ccc(CN(Cc2cccc(O)c2)CC2CC2)s1 ZINC000833314488 601948776 /nfs/dbraw/zinc/94/87/76/601948776.db2.gz KEKZYEZDHLZMKG-UHFFFAOYSA-N -1 3 317.410 3.564 20 0 DHADHM CCc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)o1 ZINC000830238678 601957614 /nfs/dbraw/zinc/95/76/14/601957614.db2.gz SVGXYBPEMDWATL-ZDUSSCGKSA-N -1 3 305.399 3.939 20 0 DHADHM CCC(CC)(CC(=O)[O-])NCc1coc(-c2cccc(F)c2)n1 ZINC000828804178 602212189 /nfs/dbraw/zinc/21/21/89/602212189.db2.gz IIKZVTOVUGJYRR-UHFFFAOYSA-N -1 3 320.364 3.604 20 0 DHADHM Cc1cc([C@H](C)N(C)CCOc2ccc(C)cc2)oc1C(=O)[O-] ZINC000576829755 604381425 /nfs/dbraw/zinc/38/14/25/604381425.db2.gz GGRJLLJJTCHCFO-AWEZNQCLSA-N -1 3 317.385 3.666 20 0 DHADHM Cc1cc([C@H](C)N(C)CCOc2cccc(C)c2)oc1C(=O)[O-] ZINC000575875199 604383423 /nfs/dbraw/zinc/38/34/23/604383423.db2.gz XSPVGCMREWCMHV-AWEZNQCLSA-N -1 3 317.385 3.666 20 0 DHADHM CC(C)CN(CCC(=O)[O-])Cc1nc(-c2ccccc2)cs1 ZINC000580561068 604577962 /nfs/dbraw/zinc/57/79/62/604577962.db2.gz JVSYKLPIQNFIKU-UHFFFAOYSA-N -1 3 318.442 3.743 20 0 DHADHM CN(Cc1cc(C(F)(F)F)ccc1Cl)C(C)(C)C(=O)[O-] ZINC000833694538 604627759 /nfs/dbraw/zinc/62/77/59/604627759.db2.gz LRQFOLQTMXTITC-UHFFFAOYSA-N -1 3 309.715 3.654 20 0 DHADHM CCc1ncc(CN(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000833677527 604771550 /nfs/dbraw/zinc/77/15/50/604771550.db2.gz SGPBPOSRZXQYTJ-UHFFFAOYSA-N -1 3 318.442 3.573 20 0 DHADHM C[C@]1(NCc2cc(-c3cccs3)on2)CCCC[C@@H]1C(=O)[O-] ZINC000833569702 604819252 /nfs/dbraw/zinc/81/92/52/604819252.db2.gz LADRKAAXIRFRFT-WBMJQRKESA-N -1 3 320.414 3.526 20 0 DHADHM C[C@@]1(NCc2cc(-c3cccs3)on2)CCCC[C@H]1C(=O)[O-] ZINC000833569696 604819273 /nfs/dbraw/zinc/81/92/73/604819273.db2.gz LADRKAAXIRFRFT-BLLLJJGKSA-N -1 3 320.414 3.526 20 0 DHADHM C[C@]1(NCc2csc(C3CCCC3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571426 605069689 /nfs/dbraw/zinc/06/96/89/605069689.db2.gz YXXRSMLDHOXGJG-YOEHRIQHSA-N -1 3 322.474 3.924 20 0 DHADHM CCOc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])o2)cc1 ZINC000570050872 605124136 /nfs/dbraw/zinc/12/41/36/605124136.db2.gz IZLRRNOZYRXPFJ-INIZCTEOSA-N -1 3 315.369 3.714 20 0 DHADHM C/C(=C/CN[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000833383335 605144484 /nfs/dbraw/zinc/14/44/84/605144484.db2.gz MBDVLBUYLCXWKH-RMHQSFGDSA-N -1 3 313.372 3.730 20 0 DHADHM CC1(C)C[C@@H](NCc2ccc(NC(=O)[O-])nc2)c2ccccc21 ZINC000825706551 605186643 /nfs/dbraw/zinc/18/66/43/605186643.db2.gz IFSGMDSVCFBOPC-OAHLLOKOSA-N -1 3 311.385 3.684 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000833584503 605315752 /nfs/dbraw/zinc/31/57/52/605315752.db2.gz NPULTKIDMMRFCZ-HOCLYGCPSA-N -1 3 321.804 3.624 20 0 DHADHM CC[C@H](NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000833644805 605579032 /nfs/dbraw/zinc/57/90/32/605579032.db2.gz SOZMDZNMQHTNMR-KRWDZBQOSA-N -1 3 310.397 3.898 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822229126 606733391 /nfs/dbraw/zinc/73/33/91/606733391.db2.gz NCWIHNSPGNWETD-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM CC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000820939105 607011674 /nfs/dbraw/zinc/01/16/74/607011674.db2.gz QRAXXKWDGXHYLQ-OAHLLOKOSA-N -1 3 324.409 3.620 20 0 DHADHM CC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000820939105 607011676 /nfs/dbraw/zinc/01/16/76/607011676.db2.gz QRAXXKWDGXHYLQ-OAHLLOKOSA-N -1 3 324.409 3.620 20 0 DHADHM CC(C)c1cc(Oc2ccccc2-c2nnn[n-]2)nc(C(C)C)n1 ZINC000824347722 608046269 /nfs/dbraw/zinc/04/62/69/608046269.db2.gz LOALIVKLZJDFJP-UHFFFAOYSA-N -1 3 324.388 3.696 20 0 DHADHM CC(C)c1cc(Oc2ccccc2-c2nn[n-]n2)nc(C(C)C)n1 ZINC000824347722 608046270 /nfs/dbraw/zinc/04/62/70/608046270.db2.gz LOALIVKLZJDFJP-UHFFFAOYSA-N -1 3 324.388 3.696 20 0 DHADHM Cc1ccc(F)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826289502 609255120 /nfs/dbraw/zinc/25/51/20/609255120.db2.gz CSGAFUJMMRXOCG-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(F)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826289502 609255121 /nfs/dbraw/zinc/25/51/21/609255121.db2.gz CSGAFUJMMRXOCG-INIZCTEOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000826291676 609255180 /nfs/dbraw/zinc/25/51/80/609255180.db2.gz QJYGSZMZCKKTGO-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000826291676 609255181 /nfs/dbraw/zinc/25/51/81/609255181.db2.gz QJYGSZMZCKKTGO-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826268236 609274090 /nfs/dbraw/zinc/27/40/90/609274090.db2.gz PDYWKQSRPLAJIA-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826268236 609274091 /nfs/dbraw/zinc/27/40/91/609274091.db2.gz PDYWKQSRPLAJIA-QGZVFWFLSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1Cl ZINC000826299830 609479220 /nfs/dbraw/zinc/47/92/20/609479220.db2.gz WZAKQKARRHONPH-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1Cl ZINC000826299830 609479222 /nfs/dbraw/zinc/47/92/22/609479222.db2.gz WZAKQKARRHONPH-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM O=C(CCCCC(=O)c1ccccc1)[N-]OC1CCCCC1 ZINC000777963995 1032058433 /nfs/dbraw/zinc/05/84/33/1032058433.db2.gz NIOANFNAJCGJHH-UHFFFAOYSA-N -1 3 303.402 3.810 20 0 DHADHM CC(C)COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000076273371 949000136 /nfs/dbraw/zinc/00/01/36/949000136.db2.gz LUXVRECIUPBWIP-UHFFFAOYSA-N -1 3 313.397 3.709 20 0 DHADHM CC(C)CC(CC(C)C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574143303 949888693 /nfs/dbraw/zinc/88/86/93/949888693.db2.gz GEMCLOVIUQQVOR-UHFFFAOYSA-N -1 3 322.844 3.788 20 0 DHADHM CC(C)CC(CC(C)C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574143303 949888719 /nfs/dbraw/zinc/88/87/19/949888719.db2.gz GEMCLOVIUQQVOR-UHFFFAOYSA-N -1 3 322.844 3.788 20 0 DHADHM CC(C)(C)CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001573844279 950189162 /nfs/dbraw/zinc/18/91/62/950189162.db2.gz DTCDUQUJXMSZAE-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM CC(C)(C)CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001573844279 950189175 /nfs/dbraw/zinc/18/91/75/950189175.db2.gz DTCDUQUJXMSZAE-UHFFFAOYSA-N -1 3 319.384 3.551 20 0 DHADHM O=C([O-])[C@@H]1CN(CCCCc2ccccc2)Cc2ccccc21 ZINC000322459654 951030610 /nfs/dbraw/zinc/03/06/10/951030610.db2.gz IOQQSORCWGPLJD-LJQANCHMSA-N -1 3 309.409 3.693 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000336852088 951131685 /nfs/dbraw/zinc/13/16/85/951131685.db2.gz JHWIZHZOHIIYGP-AWEZNQCLSA-N -1 3 309.287 3.621 20 0 DHADHM CC(C)(C)SCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602921244 971876946 /nfs/dbraw/zinc/87/69/46/971876946.db2.gz AKJVNKOJOUDOIF-OAHLLOKOSA-N -1 3 307.459 3.592 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000874054718 956119804 /nfs/dbraw/zinc/11/98/04/956119804.db2.gz IOSMRQJQBFFENI-JTQLQIEISA-N -1 3 324.302 3.649 20 0 DHADHM O=C(N[C@H]1CSc2ccccc21)c1cc([O-])ccc1Cl ZINC000340483107 1013154928 /nfs/dbraw/zinc/15/49/28/1013154928.db2.gz CLBLJFNEGAEYRY-ZDUSSCGKSA-N -1 3 305.786 3.622 20 0 DHADHM Cc1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)sn1 ZINC001594303653 957935741 /nfs/dbraw/zinc/93/57/41/957935741.db2.gz XSFNAOSODIIMNG-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM CSc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594196013 959195062 /nfs/dbraw/zinc/19/50/62/959195062.db2.gz GOEPGYUQAREKHF-MRXNPFEDSA-N -1 3 301.411 3.632 20 0 DHADHM O=C([O-])c1ccc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001231458882 960611494 /nfs/dbraw/zinc/61/14/94/960611494.db2.gz OPHNINSVRCLHAR-CQSZACIVSA-N -1 3 317.335 3.653 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252607902 961281506 /nfs/dbraw/zinc/28/15/06/961281506.db2.gz RTGVEGJDHKAWPV-FXPVBKGRSA-N -1 3 302.201 3.849 20 0 DHADHM CCNc1ccccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573887755 961310195 /nfs/dbraw/zinc/31/01/95/961310195.db2.gz GYUKJDSMCOZPNK-WMZOPIPTSA-N -1 3 310.397 3.521 20 0 DHADHM O=C([O-])c1ccc(CN2CCCCCC2)c(C(F)(F)F)c1 ZINC000258143776 961355491 /nfs/dbraw/zinc/35/54/91/961355491.db2.gz OUMCNVIYHSJBRU-UHFFFAOYSA-N -1 3 301.308 3.780 20 0 DHADHM C[C@H]1CC[C@](CNCc2csc(C(C)(C)C)n2)(CC(=O)[O-])C1 ZINC000426642113 1013326894 /nfs/dbraw/zinc/32/68/94/1013326894.db2.gz FLQXKTHXSXQGET-YVEFUNNKSA-N -1 3 324.490 3.811 20 0 DHADHM CC(C)(CCCNCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000426642779 1013327870 /nfs/dbraw/zinc/32/78/70/1013327870.db2.gz LDAWWDKYFWKIJP-UHFFFAOYSA-N -1 3 318.442 3.791 20 0 DHADHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263414576 962583131 /nfs/dbraw/zinc/58/31/31/962583131.db2.gz MSEDFQOJQOWRFW-GXFFZTMASA-N -1 3 301.308 3.548 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN1CC[C@H](C(=O)[O-])C1 ZINC000263438454 962615827 /nfs/dbraw/zinc/61/58/27/962615827.db2.gz VIPYFSIEFFEFAP-NSHDSACASA-N -1 3 313.850 3.747 20 0 DHADHM C[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366744 1013381625 /nfs/dbraw/zinc/38/16/25/1013381625.db2.gz NHIUTNBKXVYZFV-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM CCOC(=O)c1[n-]c(=NC2=CCC(F)(F)CC2)sc1C ZINC001210028962 1013486266 /nfs/dbraw/zinc/48/62/66/1013486266.db2.gz YCYJRNYLIMWCBA-UHFFFAOYSA-N -1 3 302.346 3.743 20 0 DHADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000340328497 1013497136 /nfs/dbraw/zinc/49/71/36/1013497136.db2.gz HLTUEVXCLCSEJN-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426768212 1013502629 /nfs/dbraw/zinc/50/26/29/1013502629.db2.gz WHNMNSJUEJHHFO-QGZVFWFLSA-N -1 3 317.360 3.528 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437540 1013659901 /nfs/dbraw/zinc/65/99/01/1013659901.db2.gz AIFPAVNIAXPSMV-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000155437540 1013659903 /nfs/dbraw/zinc/65/99/03/1013659903.db2.gz AIFPAVNIAXPSMV-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM CC1(C)CNC(=O)c2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210223565 1013715262 /nfs/dbraw/zinc/71/52/62/1013715262.db2.gz SEOQQLONNUHJFO-UHFFFAOYSA-N -1 3 316.788 3.810 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc([O-])ccc1Cl ZINC000340421477 1013752964 /nfs/dbraw/zinc/75/29/64/1013752964.db2.gz YHMQTFKLEMOLLL-QMTHXVAHSA-N -1 3 323.726 3.610 20 0 DHADHM COc1cc(Cl)ccc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424263685 968354951 /nfs/dbraw/zinc/35/49/51/968354951.db2.gz SCPZJSWXKBLRGZ-CQSZACIVSA-N -1 3 311.809 3.568 20 0 DHADHM Cc1c([N-]C(=O)c2c(F)ccnc2F)onc1C1CCCCC1 ZINC000891017000 1013793297 /nfs/dbraw/zinc/79/32/97/1013793297.db2.gz XOIPIKXVUALENY-UHFFFAOYSA-N -1 3 321.327 3.956 20 0 DHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(Cl)ccc2[O-])CCO1 ZINC000330798753 1013840325 /nfs/dbraw/zinc/84/03/25/1013840325.db2.gz GSQKVBQSZLEFCR-IAQYHMDHSA-N -1 3 311.809 3.825 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903689504 969587055 /nfs/dbraw/zinc/58/70/55/969587055.db2.gz IVOAGGCEJSGTSL-IUCAKERBSA-N -1 3 307.337 3.609 20 0 DHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000188841432 1013895885 /nfs/dbraw/zinc/89/58/85/1013895885.db2.gz WJAGSCSAPZOKEC-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)Oc1cccc(/C=C\C(=O)Nc2cccc([O-])c2F)c1 ZINC000255102490 1014021582 /nfs/dbraw/zinc/02/15/82/1014021582.db2.gz GDXYYZKFQPDIQM-KTKRTIGZSA-N -1 3 315.344 3.970 20 0 DHADHM COc1ccc(-n2nccc2Nc2cccc([O-])c2Cl)cc1 ZINC001210853834 1014072077 /nfs/dbraw/zinc/07/20/77/1014072077.db2.gz MEJOCKZGGRSTGF-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM CN1Cc2c(Nc3cccc([O-])c3Cl)cccc2NC1=O ZINC001210859774 1014073533 /nfs/dbraw/zinc/07/35/33/1014073533.db2.gz NSKCKIXOQLVMOP-UHFFFAOYSA-N -1 3 303.749 3.767 20 0 DHADHM COC(=O)c1c(F)cc(F)cc1Nc1cccc([O-])c1Cl ZINC001210859677 1014074441 /nfs/dbraw/zinc/07/44/41/1014074441.db2.gz KCBDONPJZRAOTJ-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(C)s1 ZINC000047982707 1014075397 /nfs/dbraw/zinc/07/53/97/1014075397.db2.gz PZEJITYFDHABCO-UHFFFAOYSA-N -1 3 319.810 3.958 20 0 DHADHM CC[C@@H]1CCCC[C@@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000401539575 973370242 /nfs/dbraw/zinc/37/02/42/973370242.db2.gz ZXOFVHBRDRYPHG-IIDMSEBBSA-N -1 3 301.430 3.887 20 0 DHADHM CC(C)Cc1nsc([N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656226843 1014152956 /nfs/dbraw/zinc/15/29/56/1014152956.db2.gz JKIYSPMTXYLATP-VHSXEESVSA-N -1 3 323.384 3.649 20 0 DHADHM O=C([O-])C1(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000580778671 974900125 /nfs/dbraw/zinc/90/01/25/974900125.db2.gz MTALTFOECOQJJY-CYBMUJFWSA-N -1 3 314.212 3.995 20 0 DHADHM CC[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581076894 974904575 /nfs/dbraw/zinc/90/45/75/974904575.db2.gz HTRQBCZGVVNIIV-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])c1cccc(Cl)c1CN1CCCC(F)(F)CC1 ZINC000629367588 975085434 /nfs/dbraw/zinc/08/54/34/975085434.db2.gz AQAYWEYEQNCHKK-UHFFFAOYSA-N -1 3 303.736 3.659 20 0 DHADHM C[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366742 975516296 /nfs/dbraw/zinc/51/62/96/975516296.db2.gz NAGOBQSPLNLSJY-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758765 975687102 /nfs/dbraw/zinc/68/71/02/975687102.db2.gz OCEXNVKIXXOBER-ZDUSSCGKSA-N -1 3 316.228 3.851 20 0 DHADHM O=C([O-])[C@H]1CN(CC[C@@H]2CCc3ccccc32)Cc2ccccc21 ZINC000659788698 975876350 /nfs/dbraw/zinc/87/63/50/975876350.db2.gz MFJSRJAQRWZUQF-JXFKEZNVSA-N -1 3 321.420 3.791 20 0 DHADHM COc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000669476242 976006778 /nfs/dbraw/zinc/00/67/78/976006778.db2.gz FBEJSOHXJNETRV-OAHLLOKOSA-N -1 3 317.360 3.530 20 0 DHADHM CC(C)(C)c1nnsc1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000191350309 1014332295 /nfs/dbraw/zinc/33/22/95/1014332295.db2.gz NJQFPIAMWCNXOP-UHFFFAOYSA-N -1 3 315.320 3.505 20 0 DHADHM CC(C)c1ccc(OCCN[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591973264 976575677 /nfs/dbraw/zinc/57/56/77/976575677.db2.gz YERWQKLYUYHFJR-ZDUSSCGKSA-N -1 3 317.385 3.831 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC(C2CCCCC2)C1 ZINC000580841097 1014399489 /nfs/dbraw/zinc/39/94/89/1014399489.db2.gz WKEKGAKSVMOTSR-UHFFFAOYSA-N -1 3 319.420 3.893 20 0 DHADHM C[C@](CC(=O)[O-])(NCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC001592327799 977742151 /nfs/dbraw/zinc/74/21/51/977742151.db2.gz FAMQMDOGSGVMAR-QGZVFWFLSA-N -1 3 321.779 3.959 20 0 DHADHM O=C(Cc1ccsc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160689748 1014437624 /nfs/dbraw/zinc/43/76/24/1014437624.db2.gz ATLXHUFAPDOIAO-UHFFFAOYSA-N -1 3 315.316 3.557 20 0 DHADHM C[C@@H](CN(Cc1cc(Cl)cc(Cl)c1F)C1CC1)C(=O)[O-] ZINC001592598834 978532900 /nfs/dbraw/zinc/53/29/00/978532900.db2.gz LBJOJZYYHWLINZ-QMMMGPOBSA-N -1 3 320.191 3.818 20 0 DHADHM C[C@H](CNCc1ccc(/C=C/C(=O)[O-])o1)Sc1ccccc1 ZINC001592712500 979206333 /nfs/dbraw/zinc/20/63/33/979206333.db2.gz ONNMRTCRIFFPAP-WTNCMQEWSA-N -1 3 317.410 3.648 20 0 DHADHM CCC[C@@H](C)CCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872167189 980064730 /nfs/dbraw/zinc/06/47/30/980064730.db2.gz FMWOCDCEEKACFL-CQSZACIVSA-N -1 3 319.445 3.968 20 0 DHADHM O=C([O-])C1(CCCCNCc2csc(C3CC3)n2)CCC1 ZINC000900081129 980248660 /nfs/dbraw/zinc/24/86/60/980248660.db2.gz XAFDNPLHOXXGMN-UHFFFAOYSA-N -1 3 308.447 3.535 20 0 DHADHM O=C([O-])c1cc(CN2CCSC3(CCCCC3)C2)cs1 ZINC000901436601 980284758 /nfs/dbraw/zinc/28/47/58/980284758.db2.gz WJEIJYMZZXKKPV-UHFFFAOYSA-N -1 3 311.472 3.698 20 0 DHADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1OC ZINC001595277033 980304608 /nfs/dbraw/zinc/30/46/08/980304608.db2.gz OXLHWVHKKPMQGX-DOTOQJQBSA-N -1 3 317.360 3.701 20 0 DHADHM CC[C@@](NCc1cc(C)nc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595299364 980426652 /nfs/dbraw/zinc/42/66/52/980426652.db2.gz QUJYSBIVVYTGCR-KRWDZBQOSA-N -1 3 318.804 3.523 20 0 DHADHM Cc1nc(CN[C@@H](CCC(=O)[O-])CC2CCCCC2)cs1 ZINC000901904097 980617619 /nfs/dbraw/zinc/61/76/19/980617619.db2.gz NPHQYWIRZRSBCH-AWEZNQCLSA-N -1 3 310.463 3.745 20 0 DHADHM C[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000902015447 980693265 /nfs/dbraw/zinc/69/32/65/980693265.db2.gz IYNGFRZKDVZQAN-ZANVPECISA-N -1 3 319.298 3.530 20 0 DHADHM O=C([O-])c1cccc(CN[C@@H](c2ccccc2)C2CCCC2)n1 ZINC000902145482 980756136 /nfs/dbraw/zinc/75/61/36/980756136.db2.gz AESPFGDRSANLSP-SFHVURJKSA-N -1 3 310.397 3.801 20 0 DHADHM CCO[C@@H]1C[C@H](NCc2cc(C)c(C(=O)[O-])o2)C12CCCCC2 ZINC000902322072 980831763 /nfs/dbraw/zinc/83/17/63/980831763.db2.gz HFCLTWQBGXQVMN-LSDHHAIUSA-N -1 3 321.417 3.504 20 0 DHADHM CCc1oc(CN(C)CC2(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000902360056 980852213 /nfs/dbraw/zinc/85/22/13/980852213.db2.gz RVOIANCHUCPLAV-UHFFFAOYSA-N -1 3 313.397 3.704 20 0 DHADHM CCc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000007240509 1014698546 /nfs/dbraw/zinc/69/85/46/1014698546.db2.gz QVGKEVZTXRJJAJ-UHFFFAOYSA-N -1 3 309.365 3.982 20 0 DHADHM C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726117 981124896 /nfs/dbraw/zinc/12/48/96/981124896.db2.gz HWPFNIZJVILNFY-FZKQIMNGSA-N -1 3 310.397 3.583 20 0 DHADHM CCC[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC001595600165 981577885 /nfs/dbraw/zinc/57/78/85/981577885.db2.gz HFNRCXSFDMYGDI-INIZCTEOSA-N -1 3 319.426 3.843 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)/C=C\C(C)C)nc(=O)c2c1C ZINC000785042201 1014787956 /nfs/dbraw/zinc/78/79/56/1014787956.db2.gz KOUAPJFTABFOAM-JYESYGNLSA-N -1 3 320.414 3.830 20 0 DHADHM Cc1cscc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001271115548 1014865886 /nfs/dbraw/zinc/86/58/86/1014865886.db2.gz BAUWVBLCQIYUHO-UHFFFAOYSA-N -1 3 317.307 3.743 20 0 DHADHM CN(CC1(c2ccccc2)CC1)C(=O)c1cc([O-])ccc1Cl ZINC000348824974 1014873792 /nfs/dbraw/zinc/87/37/92/1014873792.db2.gz CTTCOORALRXUEB-UHFFFAOYSA-N -1 3 315.800 3.849 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc(Br)c1 ZINC000129635140 1015071717 /nfs/dbraw/zinc/07/17/17/1015071717.db2.gz JRGVLLAUXVQYJL-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM C[C@]12CC3CC(C(=O)[N-]OCc4ccccn4)(C1)C[C@@](C)(C3)C2 ZINC000909525817 1015232851 /nfs/dbraw/zinc/23/28/51/1015232851.db2.gz KDXMRPLTOVXVMP-KOCGSPDRSA-N -1 3 314.429 3.626 20 0 DHADHM CCOc1cccc(F)c1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597160088 986963612 /nfs/dbraw/zinc/96/36/12/986963612.db2.gz QPWQIPIQGAUSIV-ZDUSSCGKSA-N -1 3 323.408 3.547 20 0 DHADHM CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597258611 987271096 /nfs/dbraw/zinc/27/10/96/987271096.db2.gz PTURDWRYFJEFHW-HBNTYKKESA-N -1 3 314.476 3.556 20 0 DHADHM CC[C@H]([N-]c1nnc(C(F)F)o1)c1cc(F)ccc1OC ZINC000895879533 1015338995 /nfs/dbraw/zinc/33/89/95/1015338995.db2.gz LYAWRUCKQBWFPF-VIFPVBQESA-N -1 3 301.268 3.718 20 0 DHADHM CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001589795639 988191363 /nfs/dbraw/zinc/19/13/63/988191363.db2.gz HSSCFGLMTOHORY-UHFFFAOYSA-N -1 3 316.376 3.720 20 0 DHADHM CCc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])c1)CCO2 ZINC001597569467 988335431 /nfs/dbraw/zinc/33/54/31/988335431.db2.gz WHQNJXVFHCSDSP-QGZVFWFLSA-N -1 3 311.381 3.561 20 0 DHADHM CCc1cccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001597586540 988405067 /nfs/dbraw/zinc/40/50/67/988405067.db2.gz GRSXRJMAYWNAFJ-AWEZNQCLSA-N -1 3 313.397 3.563 20 0 DHADHM C[C@@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(Cl)cc1Cl ZINC001599841593 988846408 /nfs/dbraw/zinc/84/64/08/988846408.db2.gz URYVTDYXQQRDLA-PUMQYWBSSA-N -1 3 324.154 3.610 20 0 DHADHM CC(C)(CCNC(C)(C)c1nc2cc(Cl)ccc2o1)C(=O)[O-] ZINC001590684459 990394404 /nfs/dbraw/zinc/39/44/04/990394404.db2.gz DTIFFOIBYYTXEX-UHFFFAOYSA-N -1 3 324.808 3.807 20 0 DHADHM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1Cl ZINC000581952985 1015583445 /nfs/dbraw/zinc/58/34/45/1015583445.db2.gz BFLMCQACTJAFBE-BXUZGUMPSA-N -1 3 311.809 3.970 20 0 DHADHM COc1ccccc1[C@@H](C)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001599698584 991185225 /nfs/dbraw/zinc/18/52/25/991185225.db2.gz OGPMWDULFBJFJL-RHSMWYFYSA-N -1 3 313.397 3.952 20 0 DHADHM CC(C)C[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591205924 992031010 /nfs/dbraw/zinc/03/10/10/992031010.db2.gz MSIRAFXTQZGMRB-CQSZACIVSA-N -1 3 315.417 3.662 20 0 DHADHM CN(Cc1cc(C(F)(F)F)ccc1F)C(C)(C)CC(=O)[O-] ZINC001598506757 992513791 /nfs/dbraw/zinc/51/37/91/992513791.db2.gz KFJYRGBWCWUIDE-UHFFFAOYSA-N -1 3 307.287 3.530 20 0 DHADHM CN(Cc1cc2ccccc2n1C)Cc1ccc(C(=O)[O-])cc1 ZINC001598513898 992596648 /nfs/dbraw/zinc/59/66/48/992596648.db2.gz HWAWMHWLGHGROB-UHFFFAOYSA-N -1 3 308.381 3.509 20 0 DHADHM CC(C)N(Cc1ccc(C(=O)[O-])n1C)[C@@H](C)c1ccsc1 ZINC001591596664 992823929 /nfs/dbraw/zinc/82/39/29/992823929.db2.gz KMRCYBLZOWWKOQ-LBPRGKRZSA-N -1 3 306.431 3.756 20 0 DHADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ncccc1[O-] ZINC000341881898 1015788267 /nfs/dbraw/zinc/78/82/67/1015788267.db2.gz BOIDUGGQWYASAN-HNNXBMFYSA-N -1 3 314.385 3.707 20 0 DHADHM O=C(NC1CCC(C(F)F)CC1)c1cc([O-])ccc1Cl ZINC000458182328 1015817126 /nfs/dbraw/zinc/81/71/26/1015817126.db2.gz PXUUZZMGTXVJCM-UHFFFAOYSA-N -1 3 303.736 3.599 20 0 DHADHM C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cc(C(=O)[O-])co1 ZINC001593219512 994301276 /nfs/dbraw/zinc/30/12/76/994301276.db2.gz LXJQIDXIKHXOAY-CQDKDKBSSA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ccc(C(=O)[O-])o1 ZINC001593220443 994310957 /nfs/dbraw/zinc/31/09/57/994310957.db2.gz SICOHOQBBMFIQQ-TUKIKUTGSA-N -1 3 321.417 3.755 20 0 DHADHM C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252230 994505583 /nfs/dbraw/zinc/50/55/83/994505583.db2.gz QWYROQARVDENBF-JSGCOSHPSA-N -1 3 307.390 3.510 20 0 DHADHM C[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)Oc1ccc(Cl)cc1 ZINC001593285429 994635381 /nfs/dbraw/zinc/63/53/81/994635381.db2.gz FCLOEXAPSUXLQF-QWRGUYRKSA-N -1 3 323.776 3.749 20 0 DHADHM C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1cncc(C(=O)[O-])c1 ZINC001593353978 994986352 /nfs/dbraw/zinc/98/63/52/994986352.db2.gz HICJXQGHWCIZSN-PIGZYNQJSA-N -1 3 314.360 3.647 20 0 DHADHM C[C@@H](c1ccncc1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593723101 996254264 /nfs/dbraw/zinc/25/42/64/996254264.db2.gz IUPRWMRTUPYESE-ZDUSSCGKSA-N -1 3 321.380 3.521 20 0 DHADHM CCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000046017182 1032136680 /nfs/dbraw/zinc/13/66/80/1032136680.db2.gz HASPIOMUPSIGAK-KRWDZBQOSA-N -1 3 320.392 3.799 20 0 DHADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC001593923792 996842203 /nfs/dbraw/zinc/84/22/03/996842203.db2.gz TZOWHGBQEZDBRO-UHFFFAOYSA-N -1 3 313.850 3.756 20 0 DHADHM COc1ccc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC001599498375 997060393 /nfs/dbraw/zinc/06/03/93/997060393.db2.gz LXYIIIXUOJNDIU-CQSZACIVSA-N -1 3 313.397 3.895 20 0 DHADHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599510675 997291825 /nfs/dbraw/zinc/29/18/25/997291825.db2.gz SVESAGBFDUNWRP-ZBEGNZNMSA-N -1 3 319.788 3.825 20 0 DHADHM COCCN(Cc1cc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC001599238045 997982423 /nfs/dbraw/zinc/98/24/23/997982423.db2.gz HWVHZBXDHLOOLB-CYBMUJFWSA-N -1 3 319.426 3.656 20 0 DHADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000892141858 1016291719 /nfs/dbraw/zinc/29/17/19/1016291719.db2.gz WOAGNVTWJXVYQA-MEDUHNTESA-N -1 3 307.390 3.555 20 0 DHADHM CSc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000281251634 1016413771 /nfs/dbraw/zinc/41/37/71/1016413771.db2.gz DQJAZENTQZGXBD-RYUDHWBXSA-N -1 3 303.431 3.624 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC12CCCCC2 ZINC000622514063 1016444597 /nfs/dbraw/zinc/44/45/97/1016444597.db2.gz JWFVXMQDOOILHM-AWEZNQCLSA-N -1 3 319.420 3.893 20 0 DHADHM CC(C)[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000622563120 1016459242 /nfs/dbraw/zinc/45/92/42/1016459242.db2.gz YBTKMGLZTFEDEM-HNNXBMFYSA-N -1 3 313.372 3.860 20 0 DHADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)c1OC ZINC000342444985 1016468977 /nfs/dbraw/zinc/46/89/77/1016468977.db2.gz RARNLRMJEDMSBC-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283312 1016501120 /nfs/dbraw/zinc/50/11/20/1016501120.db2.gz XUCUDMDTIVIRLE-JKSUJKDBSA-N -1 3 323.408 3.549 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)c(F)c1 ZINC000346857967 1016609974 /nfs/dbraw/zinc/60/99/74/1016609974.db2.gz XJFFCODKTKDCFR-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM COc1ccc(C)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176674642 1016814681 /nfs/dbraw/zinc/81/46/81/1016814681.db2.gz FISNWEXFBFWFJR-MDZDMXLPSA-N -1 3 321.373 3.555 20 0 DHADHM C[C@@H](C1CC1)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000623017053 1016830022 /nfs/dbraw/zinc/83/00/22/1016830022.db2.gz UJEVQEZTZPPPES-VIFPVBQESA-N -1 3 313.319 3.814 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(F)cc1Cl ZINC000174875473 1016844743 /nfs/dbraw/zinc/84/47/43/1016844743.db2.gz XGRVHLDUJYMALD-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000174885406 1016846203 /nfs/dbraw/zinc/84/62/03/1016846203.db2.gz YAUXJRFWGHGIMB-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM CSCc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1F ZINC000174876413 1016843749 /nfs/dbraw/zinc/84/37/49/1016843749.db2.gz VAGZRGXRKILIEN-UHFFFAOYSA-N -1 3 309.337 3.786 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176431146 1016962718 /nfs/dbraw/zinc/96/27/18/1016962718.db2.gz JXYBOGZARXSCSH-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CCSCCSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000185576163 1017019012 /nfs/dbraw/zinc/01/90/12/1017019012.db2.gz KYVXYWQSRDLAHD-UHFFFAOYSA-N -1 3 310.440 3.793 20 0 DHADHM [O-]c1cc(Br)cc(F)c1O[C@H]1CCCC[C@@H]1F ZINC001227586947 1017044647 /nfs/dbraw/zinc/04/46/47/1017044647.db2.gz DEXMXDWURXXYQZ-KWQFWETISA-N -1 3 307.134 3.953 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456258498 1017239553 /nfs/dbraw/zinc/23/95/53/1017239553.db2.gz QZONTRCDLQWXMZ-IEBWSBKVSA-N -1 3 307.393 3.806 20 0 DHADHM O=c1[n-]c(N[C@H]2COCc3ccccc32)c(Cl)cc1Cl ZINC001171288891 1032255663 /nfs/dbraw/zinc/25/56/63/1032255663.db2.gz RAZINKZSOHVADP-LBPRGKRZSA-N -1 3 311.168 3.777 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000119248243 1032277051 /nfs/dbraw/zinc/27/70/51/1032277051.db2.gz PSCIMLNAJPGXMC-GFCCVEGCSA-N -1 3 306.369 3.502 20 0 DHADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362237615 1032282310 /nfs/dbraw/zinc/28/23/10/1032282310.db2.gz QCGRFCHAQRTMNN-GTNSWQLSSA-N -1 3 310.357 3.593 20 0 DHADHM Cc1cscc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362238754 1032283606 /nfs/dbraw/zinc/28/36/06/1032283606.db2.gz SRCZWLDSELMKCS-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM Cc1cscc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362238754 1032283618 /nfs/dbraw/zinc/28/36/18/1032283618.db2.gz SRCZWLDSELMKCS-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM CCc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001147528944 1032322261 /nfs/dbraw/zinc/32/22/61/1032322261.db2.gz GIXQEJKGWXMMMD-CYBMUJFWSA-N -1 3 303.324 3.661 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2C)c([O-])c1 ZINC001148500663 1032409602 /nfs/dbraw/zinc/40/96/02/1032409602.db2.gz RMSCLROAEXGJIJ-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccc(F)c3cnccc23)ccc1[O-] ZINC001148664051 1032431118 /nfs/dbraw/zinc/43/11/18/1032431118.db2.gz HFODZHLKBLOFQN-UHFFFAOYSA-N -1 3 324.311 3.534 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1[O-] ZINC001148668852 1032431932 /nfs/dbraw/zinc/43/19/32/1032431932.db2.gz LGXKUDVSYCMPRZ-BXUZGUMPSA-N -1 3 303.402 3.539 20 0 DHADHM CC1(C)CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000579722616 1011974177 /nfs/dbraw/zinc/97/41/77/1011974177.db2.gz MNKGNOUJWARAKW-GFCCVEGCSA-N -1 3 302.201 3.851 20 0 DHADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)Cc1ccccc1 ZINC000683171512 1012237424 /nfs/dbraw/zinc/23/74/24/1012237424.db2.gz MDIHARQMBLVYTQ-ZDUSSCGKSA-N -1 3 321.779 3.512 20 0 DHADHM C[C@H](CCNCc1c(Cl)cccc1OC(F)F)CC(=O)[O-] ZINC000683172680 1012245000 /nfs/dbraw/zinc/24/50/00/1012245000.db2.gz YGSWJXPIFGDBJW-SECBINFHSA-N -1 3 321.751 3.532 20 0 DHADHM Cc1ccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c([O-])c1 ZINC000515019762 1012540664 /nfs/dbraw/zinc/54/06/64/1012540664.db2.gz RZOMALKQRJYZRX-UHFFFAOYSA-N -1 3 309.365 3.862 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2COC(C)(C)C)c1 ZINC000928238649 1012681396 /nfs/dbraw/zinc/68/13/96/1012681396.db2.gz GZOPBCJBHDERNF-LBPRGKRZSA-N -1 3 323.458 3.534 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C(C)C)C3CC3)nc2)n1 ZINC000664545598 1012726268 /nfs/dbraw/zinc/72/62/68/1012726268.db2.gz ISCNHJFKGIKFSX-QGZVFWFLSA-N -1 3 312.417 3.653 20 0 DHADHM Cc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c([O-])c1 ZINC000436587553 1012757478 /nfs/dbraw/zinc/75/74/78/1012757478.db2.gz XDKRDHLMCYXNCW-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM CC(C)(C)[C@@H](NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000516814406 1012833874 /nfs/dbraw/zinc/83/38/74/1012833874.db2.gz ASBCLZOLNZKXJI-INIZCTEOSA-N -1 3 306.356 3.942 20 0 DHADHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc([O-])ccc1Cl ZINC000339796559 1012877507 /nfs/dbraw/zinc/87/75/07/1012877507.db2.gz CWQRUPZJKGHTJM-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000339813518 1012890352 /nfs/dbraw/zinc/89/03/52/1012890352.db2.gz OFULMEDYSIUSJV-UHFFFAOYSA-N -1 3 303.343 3.767 20 0 DHADHM Cc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc(C)c1Cl ZINC000517040457 1012894948 /nfs/dbraw/zinc/89/49/48/1012894948.db2.gz SUXZVXXRRHKOQN-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000232752914 1012946843 /nfs/dbraw/zinc/94/68/43/1012946843.db2.gz KOEIVPDIHAENGF-HNNXBMFYSA-N -1 3 316.228 3.926 20 0 DHADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000232780608 1012948481 /nfs/dbraw/zinc/94/84/81/1012948481.db2.gz RHGGIBSYMQVXEY-OAHLLOKOSA-N -1 3 316.228 3.926 20 0 DHADHM COc1ccc([C@@H]2CCCN2C(=O)c2c(C)cccc2[O-])cc1 ZINC000623577789 1017121245 /nfs/dbraw/zinc/12/12/45/1017121245.db2.gz GEZOKDQRVIQICX-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM [O-]c1c(F)cc(Nc2nc(-c3ccncc3)cs2)cc1F ZINC001213370365 1017150753 /nfs/dbraw/zinc/15/07/53/1017150753.db2.gz FHEDFOZMALFXPD-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM CC(C)Cc1nc(C(=O)[N-]c2nc(C(C)C)ns2)cs1 ZINC000874697013 1032708091 /nfs/dbraw/zinc/70/80/91/1032708091.db2.gz WTTLKTBNVIOPPK-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523433973 1017695750 /nfs/dbraw/zinc/69/57/50/1017695750.db2.gz DSCTXAIFNKSQLI-HIFRSBDPSA-N -1 3 308.397 3.689 20 0 DHADHM CCSc1ccc(Cl)cc1C(=O)Nc1ncccc1[O-] ZINC000180999385 1017715637 /nfs/dbraw/zinc/71/56/37/1017715637.db2.gz GHWCVHTWKJQJKN-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cscc1Cl ZINC000874811539 1032732662 /nfs/dbraw/zinc/73/26/62/1032732662.db2.gz NARKPGVLAAQQGQ-UHFFFAOYSA-N -1 3 311.794 3.581 20 0 DHADHM CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000566436171 1017992407 /nfs/dbraw/zinc/99/24/07/1017992407.db2.gz AZITXKOVLWZUMJ-UHFFFAOYSA-N -1 3 317.433 3.635 20 0 DHADHM CC(F)(F)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000674745315 1018120500 /nfs/dbraw/zinc/12/05/00/1018120500.db2.gz UNLIZBGOGFRLEA-UHFFFAOYSA-N -1 3 308.122 3.529 20 0 DHADHM CCN(CCc1ccccn1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000764351310 1018255372 /nfs/dbraw/zinc/25/53/72/1018255372.db2.gz KWAPRZQLZXKIQC-UHFFFAOYSA-N -1 3 312.413 3.615 20 0 DHADHM CSc1cc(Br)ccc1C=Cc1nccc(=O)[n-]1 ZINC000764433146 1018280659 /nfs/dbraw/zinc/28/06/59/1018280659.db2.gz CSALRJBQJDSITB-HWKANZROSA-N -1 3 323.215 3.837 20 0 DHADHM Cc1conc1[N-]C(=O)c1oc2ccccc2c1Br ZINC001271864546 1018281437 /nfs/dbraw/zinc/28/14/37/1018281437.db2.gz IOTRGBSPNPYREH-UHFFFAOYSA-N -1 3 321.130 3.744 20 0 DHADHM O=c1ccnc(C=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]1 ZINC000764441277 1018282381 /nfs/dbraw/zinc/28/23/81/1018282381.db2.gz FTCCDEWKNYOYLX-YFHOEESVSA-N -1 3 314.348 3.692 20 0 DHADHM C[C@@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000447314470 1018369096 /nfs/dbraw/zinc/36/90/96/1018369096.db2.gz GCHDKVWVRAVRAN-ZDUSSCGKSA-N -1 3 312.413 3.617 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccs3)cc2F)S1 ZINC000874926898 1032760192 /nfs/dbraw/zinc/76/01/92/1032760192.db2.gz AITVEPMWWYUVSX-KPKJPENVSA-N -1 3 305.355 3.878 20 0 DHADHM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000278221985 1018391731 /nfs/dbraw/zinc/39/17/31/1018391731.db2.gz RAGZFUWXOFBWMA-AXFHLTTASA-N -1 3 305.353 3.515 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000428482657 1018393274 /nfs/dbraw/zinc/39/32/74/1018393274.db2.gz MRIMLIRGFLZFBW-UHFFFAOYSA-N -1 3 310.332 3.617 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOc4ccccc43)n[n-]2)o1 ZINC000764833688 1018397002 /nfs/dbraw/zinc/39/70/02/1018397002.db2.gz UBUUSENAZYNZMP-INIZCTEOSA-N -1 3 324.336 3.659 20 0 DHADHM Cc1ccc(-c2cc(C(=O)O[C@H]3CCOc4ccccc43)[n-]n2)o1 ZINC000764833688 1018397017 /nfs/dbraw/zinc/39/70/17/1018397017.db2.gz UBUUSENAZYNZMP-INIZCTEOSA-N -1 3 324.336 3.659 20 0 DHADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nccn1-c1ccccc1 ZINC000367392585 1018455121 /nfs/dbraw/zinc/45/51/21/1018455121.db2.gz ROFIRLBBXKHDFM-ZDUSSCGKSA-N -1 3 311.360 3.568 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nc1 ZINC001212557975 1018462025 /nfs/dbraw/zinc/46/20/25/1018462025.db2.gz LCUPAQFMFBTVNE-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)nc1 ZINC001212557814 1018463010 /nfs/dbraw/zinc/46/30/10/1018463010.db2.gz BRAFLJBSSPZZGG-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1C(F)(F)F ZINC001212558269 1018465103 /nfs/dbraw/zinc/46/51/03/1018465103.db2.gz ZOPWCVKBFPYGRV-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM CCCCOc1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1 ZINC001212559018 1018467755 /nfs/dbraw/zinc/46/77/55/1018467755.db2.gz RIBSJDHLACEFBS-UHFFFAOYSA-N -1 3 311.341 3.683 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(F)c(C)c3Cl)no2)n1 ZINC001213699507 1018511011 /nfs/dbraw/zinc/51/10/11/1018511011.db2.gz MYXYDFXNUWZATR-UHFFFAOYSA-N -1 3 319.723 3.914 20 0 DHADHM CC(C)CCOc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000527358358 1018561580 /nfs/dbraw/zinc/56/15/80/1018561580.db2.gz ZUSGJNJKFIMAER-UHFFFAOYSA-N -1 3 324.384 3.635 20 0 DHADHM COc1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000349254236 1018710838 /nfs/dbraw/zinc/71/08/38/1018710838.db2.gz SYPCGDUDIGZMHP-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM O=C(NCCc1ccc(F)cc1)c1cc([O-])c2ccccc2c1 ZINC000471567967 1018867048 /nfs/dbraw/zinc/86/70/48/1018867048.db2.gz UTGMDTVIAADSLG-UHFFFAOYSA-N -1 3 309.340 3.657 20 0 DHADHM CC(F)(F)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000584145108 1018981094 /nfs/dbraw/zinc/98/10/94/1018981094.db2.gz GMGAGOONKGRTLO-UHFFFAOYSA-N -1 3 304.271 3.841 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000278658776 1018996681 /nfs/dbraw/zinc/99/66/81/1018996681.db2.gz GLZVNYNIDUOPNI-SSDOTTSWSA-N -1 3 320.311 3.857 20 0 DHADHM Cc1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)c([O-])c1 ZINC000387099973 1019045217 /nfs/dbraw/zinc/04/52/17/1019045217.db2.gz UFQCTFYSDUPNID-UHFFFAOYSA-N -1 3 302.280 3.620 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1coc(C2CCCC2)n1 ZINC000549271284 1019045307 /nfs/dbraw/zinc/04/53/07/1019045307.db2.gz CLVZXIJZNQKUFB-UHFFFAOYSA-N -1 3 323.352 4.240 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2cccc(F)c2C1 ZINC000355521482 1019127218 /nfs/dbraw/zinc/12/72/18/1019127218.db2.gz SQYPDBNCRPLUEX-UHFFFAOYSA-N -1 3 321.351 3.883 20 0 DHADHM Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000029612874 1019182801 /nfs/dbraw/zinc/18/28/01/1019182801.db2.gz JEYQARKPKFKBCU-UHFFFAOYSA-N -1 3 301.308 3.552 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCC1(F)F ZINC000356773682 1019271345 /nfs/dbraw/zinc/27/13/45/1019271345.db2.gz MDDWYXHVSZXRRN-NSHDSACASA-N -1 3 305.324 3.663 20 0 DHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000043801052 1019364901 /nfs/dbraw/zinc/36/49/01/1019364901.db2.gz UYWNPXLUHHKHNV-NXEZZACHSA-N -1 3 322.257 3.850 20 0 DHADHM CCCCc1nc(CSCc2nc(CC)cc(=O)[n-]2)cs1 ZINC000477350650 1032824337 /nfs/dbraw/zinc/82/43/37/1032824337.db2.gz MKNVMQNVZSRGTR-UHFFFAOYSA-N -1 3 323.487 3.977 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncccc1Br ZINC001212477911 1019396594 /nfs/dbraw/zinc/39/65/94/1019396594.db2.gz PXOLKOXRFHLWLV-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncccc1OC(F)(F)F ZINC001212481734 1019427451 /nfs/dbraw/zinc/42/74/51/1019427451.db2.gz GVWDKXOOKPKICD-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM Cc1cccc(-n2nccc2Nc2cc(F)cc(F)c2[O-])c1 ZINC001212484249 1019446916 /nfs/dbraw/zinc/44/69/16/1019446916.db2.gz SRRODRMPUDGYRC-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cc(OC(F)(F)F)ccn1 ZINC001212484177 1019447094 /nfs/dbraw/zinc/44/70/94/1019447094.db2.gz OQATXWLNKXUHGQ-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c([O-])c1 ZINC000046292962 1019454948 /nfs/dbraw/zinc/45/49/48/1019454948.db2.gz NGHCRRAPQRBWJE-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000091685443 1019477211 /nfs/dbraw/zinc/47/72/11/1019477211.db2.gz ZMNLMECXPGUVNM-OAHLLOKOSA-N -1 3 317.772 3.641 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cc(-c3nnco3)ccc2C)c1 ZINC000094013601 1019597391 /nfs/dbraw/zinc/59/73/91/1019597391.db2.gz JJMYIASLHVHQOH-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccccc1[O-] ZINC000059803701 1019672377 /nfs/dbraw/zinc/67/23/77/1019672377.db2.gz NEMIQUQDNYQCEM-UHFFFAOYSA-N -1 3 319.788 3.587 20 0 DHADHM CCn1nc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C1CC1 ZINC000280206390 1019707849 /nfs/dbraw/zinc/70/78/49/1019707849.db2.gz FIFHHBJHSLUDGZ-UHFFFAOYSA-N -1 3 321.380 3.892 20 0 DHADHM CC(C)(C)c1ncc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000525920870 1019727821 /nfs/dbraw/zinc/72/78/21/1019727821.db2.gz UETYLIJWGRPZLX-UHFFFAOYSA-N -1 3 321.380 3.885 20 0 DHADHM CC[C@@H](C)n1[nH]c(=NC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC000525928863 1019728265 /nfs/dbraw/zinc/72/82/65/1019728265.db2.gz MWEZPMLNMCIMAH-GFCCVEGCSA-N -1 3 323.396 3.696 20 0 DHADHM C[C@@H](Cc1cccs1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527450328 1019752394 /nfs/dbraw/zinc/75/23/94/1019752394.db2.gz YTKDLSKCMBBLED-LBPRGKRZSA-N -1 3 311.406 3.968 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000727673292 1019755847 /nfs/dbraw/zinc/75/58/47/1019755847.db2.gz ZWJJPMPYNBBTTI-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000727673292 1019755863 /nfs/dbraw/zinc/75/58/63/1019755863.db2.gz ZWJJPMPYNBBTTI-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM O=C([N-][C@@H]1CCc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000730188371 1019961385 /nfs/dbraw/zinc/96/13/85/1019961385.db2.gz DSJMNDDTGVIVAA-OAHLLOKOSA-N -1 3 323.289 3.860 20 0 DHADHM Cn1cccc1[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000352308422 1019985910 /nfs/dbraw/zinc/98/59/10/1019985910.db2.gz YGOVSZWRRDGDAQ-GOSISDBHSA-N -1 3 320.392 3.861 20 0 DHADHM C/C=C/COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768353 1020145076 /nfs/dbraw/zinc/14/50/76/1020145076.db2.gz KGEJNQCSURCQGA-NSCUHMNNSA-N -1 3 321.174 3.572 20 0 DHADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1Cc1ccccc1 ZINC000176990510 1020159910 /nfs/dbraw/zinc/15/99/10/1020159910.db2.gz NKDIZOIXZHRJHE-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC000671783818 1020165822 /nfs/dbraw/zinc/16/58/22/1020165822.db2.gz BNTODOMGXJSVJI-UHFFFAOYSA-N -1 3 304.293 3.878 20 0 DHADHM O=C([N-]C1(c2ccc(F)cc2)CC1)C(F)(F)c1ccccc1F ZINC000765780452 1020181049 /nfs/dbraw/zinc/18/10/49/1020181049.db2.gz GZKYHOZHSFKLSB-UHFFFAOYSA-N -1 3 323.289 3.862 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624515542 1020224649 /nfs/dbraw/zinc/22/46/49/1020224649.db2.gz YGBFNISFBZNFKM-UHFFFAOYSA-N -1 3 301.318 3.664 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000624527446 1020232315 /nfs/dbraw/zinc/23/23/15/1020232315.db2.gz DTTAGMZXJAZJGW-UHFFFAOYSA-N -1 3 301.318 3.619 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001212823533 1032888199 /nfs/dbraw/zinc/88/81/99/1032888199.db2.gz CHFGWXFZDXUGMF-UHFFFAOYSA-N -1 3 319.792 3.666 20 0 DHADHM CC(C)(C)CCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264262350 1032889011 /nfs/dbraw/zinc/88/90/11/1032889011.db2.gz QLSRFSYGLVKMSV-UHFFFAOYSA-N -1 3 300.402 3.887 20 0 DHADHM CCN(Cc1ccccc1Cl)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192538888 1020372291 /nfs/dbraw/zinc/37/22/91/1020372291.db2.gz RFEWXFJPUKEQNB-LBPRGKRZSA-N -1 3 305.809 3.727 20 0 DHADHM CCOc1ccccc1[C@@H](CC)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192726633 1020374870 /nfs/dbraw/zinc/37/48/70/1020374870.db2.gz XLHKEXBNPJBDHX-UKRRQHHQSA-N -1 3 315.417 3.691 20 0 DHADHM CCC(C)(CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000158983930 1020398166 /nfs/dbraw/zinc/39/81/66/1020398166.db2.gz CGFMXUGCATYJJU-UHFFFAOYSA-N -1 3 313.401 3.510 20 0 DHADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000106910390 1020440911 /nfs/dbraw/zinc/44/09/11/1020440911.db2.gz SYFHTCZGXKDKNX-KGLIPLIRSA-N -1 3 317.772 3.796 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000055663435 1020455353 /nfs/dbraw/zinc/45/53/53/1020455353.db2.gz CKIDFTKUYRKLTQ-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM CC(C)c1ccc(-c2nc([C@@H](C)c3cnccn3)no2)c([O-])c1 ZINC000624739853 1020501900 /nfs/dbraw/zinc/50/19/00/1020501900.db2.gz QFMHAHVFEGRFPV-NSHDSACASA-N -1 3 310.357 3.507 20 0 DHADHM CC(C)Sc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132759309 1020569154 /nfs/dbraw/zinc/56/91/54/1020569154.db2.gz ZLDNXLDUIBCAGY-UHFFFAOYSA-N -1 3 319.401 3.962 20 0 DHADHM CCc1ccc([C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133098408 1020599410 /nfs/dbraw/zinc/59/94/10/1020599410.db2.gz XQIUUUWFXLLNFV-GFCCVEGCSA-N -1 3 301.361 3.514 20 0 DHADHM CCCCc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000303793757 1020602583 /nfs/dbraw/zinc/60/25/83/1020602583.db2.gz KGRXODGTIGZEMT-UHFFFAOYSA-N -1 3 315.388 3.733 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)C(C)(C)C)nc2)n1 ZINC000734480921 1020612073 /nfs/dbraw/zinc/61/20/73/1020612073.db2.gz XSNCYWIKCHWIIS-GFCCVEGCSA-N -1 3 314.433 3.901 20 0 DHADHM COc1cc2ccccc2cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000674015442 1020638381 /nfs/dbraw/zinc/63/83/81/1020638381.db2.gz NJQUEMSJEWDYJZ-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734880004 1020675611 /nfs/dbraw/zinc/67/56/11/1020675611.db2.gz GDUURCGTOUXVRF-UHFFFAOYSA-N -1 3 317.732 3.907 20 0 DHADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C(C)(F)F ZINC000825837222 1032928836 /nfs/dbraw/zinc/92/88/36/1032928836.db2.gz XQQVGKORJXGILX-UHFFFAOYSA-N -1 3 317.351 3.652 20 0 DHADHM O=C(Nc1nc(-c2ccccc2)c[nH]1)c1cc([O-])ccc1Cl ZINC000685813348 1020732558 /nfs/dbraw/zinc/73/25/58/1020732558.db2.gz UJGSYGHYCSDEEG-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000685820398 1020751072 /nfs/dbraw/zinc/75/10/72/1020751072.db2.gz LORWNSLVIGIDRE-RKDXNWHRSA-N -1 3 321.726 3.849 20 0 DHADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1c(C)noc1C ZINC000613017139 1020777841 /nfs/dbraw/zinc/77/78/41/1020777841.db2.gz IRQGZUMIKNHZFO-ZDUSSCGKSA-N -1 3 320.414 3.600 20 0 DHADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211638368 1020823027 /nfs/dbraw/zinc/82/30/27/1020823027.db2.gz BEYSLORXUPIJEX-NXEZZACHSA-N -1 3 322.257 3.708 20 0 DHADHM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174207463 1020961952 /nfs/dbraw/zinc/96/19/52/1020961952.db2.gz LFAQNRWAKUEPHZ-LBPRGKRZSA-N -1 3 319.351 3.556 20 0 DHADHM O=C(OCCOCc1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000741126712 1020981807 /nfs/dbraw/zinc/98/18/07/1020981807.db2.gz YZYWPGMBOODKGX-UHFFFAOYSA-N -1 3 314.168 3.695 20 0 DHADHM Cc1cccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)c1[O-] ZINC000176097290 1021099867 /nfs/dbraw/zinc/09/98/67/1021099867.db2.gz AMHDIHGWQHYHKF-MRXNPFEDSA-N -1 3 310.397 3.798 20 0 DHADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162893900 1021144676 /nfs/dbraw/zinc/14/46/76/1021144676.db2.gz ZLINAWBVUGQBMC-NSHDSACASA-N -1 3 303.324 3.743 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000888015419 1033459662 /nfs/dbraw/zinc/45/96/62/1033459662.db2.gz LHIVWHASLYNTDC-LLVKDONJSA-N -1 3 301.308 3.540 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccc(F)cc1 ZINC001202344384 1021208653 /nfs/dbraw/zinc/20/86/53/1021208653.db2.gz NNLWUWAYMWXBAX-UHFFFAOYSA-N -1 3 303.318 3.785 20 0 DHADHM CCCCC[C@H](CC)C(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000181515265 1021222793 /nfs/dbraw/zinc/22/27/93/1021222793.db2.gz PXPAJYDZHOZCMI-JTQLQIEISA-N -1 3 318.343 3.545 20 0 DHADHM CCCC[C@@H](CCC)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000177296164 1021241783 /nfs/dbraw/zinc/24/17/83/1021241783.db2.gz BNHVIFFZYMNERJ-CQSZACIVSA-N -1 3 314.429 3.864 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091011132 1021259778 /nfs/dbraw/zinc/25/97/78/1021259778.db2.gz WKBXGSNETLSSOJ-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccccc3)o2)c2ccccc21 ZINC000917518655 1021287508 /nfs/dbraw/zinc/28/75/08/1021287508.db2.gz INLDMIFFRCIGOR-SFQUDFHCSA-N -1 3 315.328 3.757 20 0 DHADHM O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccc([O-])c1F ZINC000128715958 1021331925 /nfs/dbraw/zinc/33/19/25/1021331925.db2.gz CIRWNXHBCUCZLU-RMKNXTFCSA-N -1 3 323.270 3.785 20 0 DHADHM C[C@H](CSc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128843366 1021358813 /nfs/dbraw/zinc/35/88/13/1021358813.db2.gz COBAHOKPAWMFMQ-LLVKDONJSA-N -1 3 305.374 3.898 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(N2CCCC2)c(F)c1 ZINC000129346594 1021468249 /nfs/dbraw/zinc/46/82/49/1021468249.db2.gz CFJSDHGDZQDJLZ-UHFFFAOYSA-N -1 3 318.323 3.523 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000618666584 1021471515 /nfs/dbraw/zinc/47/15/15/1021471515.db2.gz BTFGUWLABSWESM-UHFFFAOYSA-N -1 3 303.402 3.637 20 0 DHADHM CC(=O)c1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1[O-] ZINC000667048527 1032985335 /nfs/dbraw/zinc/98/53/35/1032985335.db2.gz CAMJDXIVGJOJSW-LLVKDONJSA-N -1 3 313.353 3.554 20 0 DHADHM COc1cccc([C@H](C)CC(=O)Nc2cccc([O-])c2F)c1 ZINC000129601719 1021519033 /nfs/dbraw/zinc/51/90/33/1021519033.db2.gz CCXDOIHWEIARBW-LLVKDONJSA-N -1 3 303.333 3.672 20 0 DHADHM Cn1c(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc2ccccc21 ZINC000918523987 1021546374 /nfs/dbraw/zinc/54/63/74/1021546374.db2.gz LJPJOCGWYXBNTA-UHFFFAOYSA-N -1 3 324.167 3.565 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(F)c1 ZINC000919061823 1021710976 /nfs/dbraw/zinc/71/09/76/1021710976.db2.gz QGWHKEDNHVATPW-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(F)c1 ZINC000919061823 1021710990 /nfs/dbraw/zinc/71/09/90/1021710990.db2.gz QGWHKEDNHVATPW-JTQLQIEISA-N -1 3 300.289 3.727 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619359859 1021736957 /nfs/dbraw/zinc/73/69/57/1021736957.db2.gz MIFQDZCNMRKJTA-ROUUACIJSA-N -1 3 321.420 3.659 20 0 DHADHM CCC/C=C/C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000919241078 1021744345 /nfs/dbraw/zinc/74/43/45/1021744345.db2.gz NPBZKTIJAMHGIW-QROSGCPLSA-N -1 3 320.414 3.974 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1Br ZINC000556548081 1021767151 /nfs/dbraw/zinc/76/71/51/1021767151.db2.gz XUUHARRMZWMSGB-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCCCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000109846611 1021798656 /nfs/dbraw/zinc/79/86/56/1021798656.db2.gz GEQBXVVOKRFUJK-UHFFFAOYSA-N -1 3 318.186 3.716 20 0 DHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152843866 1021847341 /nfs/dbraw/zinc/84/73/41/1021847341.db2.gz USMWBMOYXJPNRT-DOMZBBRYSA-N -1 3 308.397 3.642 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000185820151 1021938117 /nfs/dbraw/zinc/93/81/17/1021938117.db2.gz FZLWYFSLSPGQBX-CYBMUJFWSA-N -1 3 321.376 3.675 20 0 DHADHM CCN(C)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000153485315 1022076637 /nfs/dbraw/zinc/07/66/37/1022076637.db2.gz DWKDXIJATUKSRX-INIZCTEOSA-N -1 3 318.804 3.677 20 0 DHADHM Cc1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)ns1 ZINC000766375369 1022087235 /nfs/dbraw/zinc/08/72/35/1022087235.db2.gz TZAZIZXQYDYYKI-UHFFFAOYSA-N -1 3 308.432 3.603 20 0 DHADHM Cc1c([O-])ccc2c(CN3CC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000746456684 1022108867 /nfs/dbraw/zinc/10/88/67/1022108867.db2.gz CPLUSIVIPKQGCJ-QGZVFWFLSA-N -1 3 321.376 3.754 20 0 DHADHM O=C([O-])[C@H](NCc1cscc1C(F)(F)F)c1cccs1 ZINC000901598325 1022125419 /nfs/dbraw/zinc/12/54/19/1022125419.db2.gz NMYLAMBUNQZKDV-SNVBAGLBSA-N -1 3 321.345 3.744 20 0 DHADHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1COC2(CCCCC2)O1 ZINC000183383511 1022131288 /nfs/dbraw/zinc/13/12/88/1022131288.db2.gz HYRXODNUXZLCEM-RMNBPEERSA-N -1 3 309.793 3.540 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1ccc(Cl)nc1C(F)(F)F ZINC000766511886 1022160905 /nfs/dbraw/zinc/16/09/05/1022160905.db2.gz DRBADRROLSIGEJ-UHFFFAOYSA-N -1 3 319.670 3.611 20 0 DHADHM CCc1ncc(C(=O)[N-]c2nnc(C3CCCCC3)s2)s1 ZINC000920843230 1022182999 /nfs/dbraw/zinc/18/29/99/1022182999.db2.gz XWKZNGIRGCOIPK-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000920843780 1022183045 /nfs/dbraw/zinc/18/30/45/1022183045.db2.gz ITXYHNRQNRFAJK-YGRLFVJLSA-N -1 3 323.314 3.950 20 0 DHADHM COc1ccc(/C=C(\C)C(=O)Nc2cccc([O-])c2F)cc1F ZINC000183572970 1022186898 /nfs/dbraw/zinc/18/68/98/1022186898.db2.gz YZCZBUXBTDYGGG-CSKARUKUSA-N -1 3 319.307 3.721 20 0 DHADHM CN(C(=O)c1ccc(N)cc1[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000852904733 1022188156 /nfs/dbraw/zinc/18/81/56/1022188156.db2.gz GBGZTQGZKYFUNQ-UHFFFAOYSA-N -1 3 304.434 3.651 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)cc1[O-] ZINC000620570014 1022192292 /nfs/dbraw/zinc/19/22/92/1022192292.db2.gz XZRSULJMFALRHH-INIZCTEOSA-N -1 3 315.413 3.780 20 0 DHADHM Cc1ncc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)s1 ZINC000921030940 1022205439 /nfs/dbraw/zinc/20/54/39/1022205439.db2.gz VCDSBMPOMPNTEJ-UHFFFAOYSA-N -1 3 316.760 3.513 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N(CCC1CC1)CC1CC1 ZINC000620631088 1022209976 /nfs/dbraw/zinc/20/99/76/1022209976.db2.gz KFHCNYADYYJFRI-UHFFFAOYSA-N -1 3 319.420 3.893 20 0 DHADHM Cn1ccc2c1cccc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153638856 1022232116 /nfs/dbraw/zinc/23/21/16/1022232116.db2.gz DKVLUAYQIPWWFQ-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM Fc1ccccc1[N-]c1nnc(SC[C@H]2CCOC2)s1 ZINC000042128400 1022328513 /nfs/dbraw/zinc/32/85/13/1022328513.db2.gz CHMAUEJEFOZSKY-VIFPVBQESA-N -1 3 311.407 3.549 20 0 DHADHM Cc1ccc(-c2cnnc([N-][C@H](C3CCC3)C(F)(F)F)n2)cc1 ZINC001169282297 1022336429 /nfs/dbraw/zinc/33/64/29/1022336429.db2.gz SAMLTDGXSMSCSF-CQSZACIVSA-N -1 3 322.334 3.990 20 0 DHADHM COC(=O)c1cnc(Cl)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589399 1022362795 /nfs/dbraw/zinc/36/27/95/1022362795.db2.gz JTMFVMUGGRUXOE-UHFFFAOYSA-N -1 3 313.140 3.624 20 0 DHADHM COc1c(C)cnc(CN(C)Cc2cccc(Cl)c2[O-])c1C ZINC000183783945 1022395801 /nfs/dbraw/zinc/39/58/01/1022395801.db2.gz KZMVKXKZFZSUNK-UHFFFAOYSA-N -1 3 320.820 3.698 20 0 DHADHM CCOC(=O)c1c(Nc2ccc(Cl)c([O-])c2)ccn1CC ZINC001212590615 1022433222 /nfs/dbraw/zinc/43/32/22/1022433222.db2.gz VLACGXOAUVJXQR-UHFFFAOYSA-N -1 3 308.765 3.787 20 0 DHADHM Cc1ccc(Sc2ccc(NC(=O)c3cnn[n-]3)cc2)cc1C ZINC000195688390 1022438534 /nfs/dbraw/zinc/43/85/34/1022438534.db2.gz DQSQRDSOXRILON-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM Cc1ccc(Sc2ccc(NC(=O)c3c[n-]nn3)cc2)cc1C ZINC000195688390 1022438540 /nfs/dbraw/zinc/43/85/40/1022438540.db2.gz DQSQRDSOXRILON-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM Cc1ccc(Sc2ccc(NC(=O)c3cn[n-]n3)cc2)cc1C ZINC000195688390 1022438547 /nfs/dbraw/zinc/43/85/47/1022438547.db2.gz DQSQRDSOXRILON-UHFFFAOYSA-N -1 3 324.409 3.825 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000615382265 1022463523 /nfs/dbraw/zinc/46/35/23/1022463523.db2.gz CWBSFPAMVAFXKL-UHFFFAOYSA-N -1 3 305.443 3.766 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(Br)cc1F ZINC000854446240 1022474320 /nfs/dbraw/zinc/47/43/20/1022474320.db2.gz HOMNKZKPPHFNAX-ZETCQYMHSA-N -1 3 324.140 3.811 20 0 DHADHM [O-]c1cccnc1CNc1ccc(-c2ccc(Cl)nn2)s1 ZINC001169730611 1022525188 /nfs/dbraw/zinc/52/51/88/1022525188.db2.gz DKBIGANRGNEGCO-UHFFFAOYSA-N -1 3 318.789 3.571 20 0 DHADHM Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212594895 1022547492 /nfs/dbraw/zinc/54/74/92/1022547492.db2.gz BTSLHTTYIAHKIF-UHFFFAOYSA-N -1 3 316.788 3.990 20 0 DHADHM O=C1c2cccc(Nc3ccc(Cl)c([O-])c3)c2CN1C1CC1 ZINC001212595345 1022548958 /nfs/dbraw/zinc/54/89/58/1022548958.db2.gz OYMQKIAUZSFJNS-UHFFFAOYSA-N -1 3 314.772 3.907 20 0 DHADHM COC(Cc1ccc(Nc2ccc(Cl)c([O-])c2)cc1)OC ZINC001212595293 1022559189 /nfs/dbraw/zinc/55/91/89/1022559189.db2.gz MLHZCIUBDGTFGA-UHFFFAOYSA-N -1 3 307.777 3.951 20 0 DHADHM CC(C)Oc1cc(F)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417044184 1022570973 /nfs/dbraw/zinc/57/09/73/1022570973.db2.gz ZULOHLPSDHZUQA-UHFFFAOYSA-N -1 3 317.364 3.598 20 0 DHADHM CSc1cc(C)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417056794 1022581996 /nfs/dbraw/zinc/58/19/96/1022581996.db2.gz OYZALTSZZHGPSG-UHFFFAOYSA-N -1 3 301.415 3.702 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(C2CC2)cc1)c1ccsc1 ZINC000417533460 1022771540 /nfs/dbraw/zinc/77/15/40/1022771540.db2.gz MRNNSJPXHKBPGR-MRXNPFEDSA-N -1 3 301.411 3.931 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000417560134 1022778598 /nfs/dbraw/zinc/77/85/98/1022778598.db2.gz JQYWLDCBBZIOIX-KBXCAEBGSA-N -1 3 313.397 3.555 20 0 DHADHM Cc1cccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1F ZINC000417558872 1022782830 /nfs/dbraw/zinc/78/28/30/1022782830.db2.gz GUXFSWJBKDFJIG-DYVFJYSZSA-N -1 3 301.361 3.686 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cs1 ZINC000417573691 1022786902 /nfs/dbraw/zinc/78/69/02/1022786902.db2.gz QMVMQXQTSALNPD-CQSZACIVSA-N -1 3 309.818 3.934 20 0 DHADHM O=C([O-])CC1(CNCc2cc(Cl)sc2Cl)CCC1 ZINC000417568126 1022791721 /nfs/dbraw/zinc/79/17/21/1022791721.db2.gz PECPWNMCXMNZQN-UHFFFAOYSA-N -1 3 308.230 3.790 20 0 DHADHM O=c1ccnc(C=Cc2ccccc2OCc2ccccc2)[n-]1 ZINC000742221933 1022808527 /nfs/dbraw/zinc/80/85/27/1022808527.db2.gz WYJCULCPDLDOSF-KHPPLWFESA-N -1 3 304.349 3.932 20 0 DHADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1C1CC1 ZINC000337612148 1033096939 /nfs/dbraw/zinc/09/69/39/1033096939.db2.gz XOXCKCLEDCUHML-UHFFFAOYSA-N -1 3 310.332 3.535 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)OCCO2 ZINC000294015041 1022975472 /nfs/dbraw/zinc/97/54/72/1022975472.db2.gz HABNPZOEBMPQTG-LLVKDONJSA-N -1 3 319.788 3.668 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC2(CCCC2)CC1 ZINC000617565944 1022992545 /nfs/dbraw/zinc/99/25/45/1022992545.db2.gz NMCOCYNTSBLMRD-UHFFFAOYSA-N -1 3 324.424 3.715 20 0 DHADHM Cc1cccc(C2([N-]C(=O)C(F)(F)C(F)F)CCCC2)c1 ZINC000857446336 1023010091 /nfs/dbraw/zinc/01/00/91/1023010091.db2.gz NEBYLMNYAUNIMV-UHFFFAOYSA-N -1 3 303.299 3.781 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089686664 1023095663 /nfs/dbraw/zinc/09/56/63/1023095663.db2.gz XUZIXFLSRZAPHL-UHFFFAOYSA-N -1 3 322.459 3.857 20 0 DHADHM O=C([N-]CCCS[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000769341618 1023128479 /nfs/dbraw/zinc/12/84/79/1023128479.db2.gz ZXIVRRYSKXQWDJ-ZDUSSCGKSA-N -1 3 317.376 3.866 20 0 DHADHM Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])no1 ZINC000769629254 1023184290 /nfs/dbraw/zinc/18/42/90/1023184290.db2.gz VABWCLQRSWWTNS-UHFFFAOYSA-N -1 3 310.309 3.733 20 0 DHADHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000769651067 1023192351 /nfs/dbraw/zinc/19/23/51/1023192351.db2.gz AJSXCEHVFWYJKN-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C(C)(C)C)cc2)n1 ZINC000660745121 1023392698 /nfs/dbraw/zinc/39/26/98/1023392698.db2.gz PRBHNSROZSSGIA-UHFFFAOYSA-N -1 3 313.445 3.813 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000007387672 1023402857 /nfs/dbraw/zinc/40/28/57/1023402857.db2.gz BDFFSDNZBAIGHM-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Nc1ccc(-c2nccn2-c2c(Cl)ccc([O-])c2F)cc1 ZINC001214563380 1023418154 /nfs/dbraw/zinc/41/81/54/1023418154.db2.gz CYAZSNMKRXOMDC-UHFFFAOYSA-N -1 3 303.724 3.620 20 0 DHADHM O=C(CC1CCCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746528832 1023528350 /nfs/dbraw/zinc/52/83/50/1023528350.db2.gz AOZBLXAXZQTVOE-UHFFFAOYSA-N -1 3 301.308 3.834 20 0 DHADHM O=c1nc(CN2CCCC3(CCCC3)CC2)[n-]c2ccsc21 ZINC000661229493 1023531157 /nfs/dbraw/zinc/53/11/57/1023531157.db2.gz GOXLJVIXDGYMBU-UHFFFAOYSA-N -1 3 317.458 3.943 20 0 DHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617095533 1023587953 /nfs/dbraw/zinc/58/79/53/1023587953.db2.gz SGMIDDKSQGIUDK-UHFFFAOYSA-N -1 3 320.418 3.553 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000661435366 1023601072 /nfs/dbraw/zinc/60/10/72/1023601072.db2.gz FVHULUUMDYZZAW-XJKSGUPXSA-N -1 3 313.401 3.762 20 0 DHADHM CC(C)(C)c1csc(COC(=O)c2cc3occc3[n-]2)n1 ZINC000786032560 1023654425 /nfs/dbraw/zinc/65/44/25/1023654425.db2.gz DEKUMWKOBVUDRQ-UHFFFAOYSA-N -1 3 304.371 3.872 20 0 DHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000786139405 1023663314 /nfs/dbraw/zinc/66/33/14/1023663314.db2.gz GLJKICWELNOLCM-UHFFFAOYSA-N -1 3 304.367 3.523 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CCCC2)C1 ZINC000787085005 1023755299 /nfs/dbraw/zinc/75/52/99/1023755299.db2.gz UPQWZHMHEGJBLB-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000048653649 1023803185 /nfs/dbraw/zinc/80/31/85/1023803185.db2.gz DYHNZSUZBCHPFG-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1c(F)cccc1F ZINC000787844312 1023825535 /nfs/dbraw/zinc/82/55/35/1023825535.db2.gz IYANCYNVBYAVBT-UHFFFAOYSA-N -1 3 324.298 3.876 20 0 DHADHM COc1c(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001211678767 1023829588 /nfs/dbraw/zinc/82/95/88/1023829588.db2.gz OKRYGEBOIPKJJG-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM Cc1ccc(-c2csc(CN(CCC(=O)[O-])C(C)C)n2)cc1 ZINC000652478637 1023886435 /nfs/dbraw/zinc/88/64/35/1023886435.db2.gz NZSSATXZFNPTRV-UHFFFAOYSA-N -1 3 318.442 3.804 20 0 DHADHM O=c1nc(CN2CCCC[C@H]2CC2CCC2)[n-]c2ccsc21 ZINC000662155723 1023931323 /nfs/dbraw/zinc/93/13/23/1023931323.db2.gz HSGVKGADPNHBRH-ZDUSSCGKSA-N -1 3 317.458 3.942 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2CCC)CC)n1 ZINC000663225776 1023947270 /nfs/dbraw/zinc/94/72/70/1023947270.db2.gz HFVZRFFRCYPXRO-QBFSEMIESA-N -1 3 300.406 3.692 20 0 DHADHM CC(C)[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162854690 1023976266 /nfs/dbraw/zinc/97/62/66/1023976266.db2.gz QOMGFLVNFPSMQE-ZDUSSCGKSA-N -1 3 303.324 3.817 20 0 DHADHM Cc1c(NC(=O)C(C)(C)C)ccnc1-c1ccc([O-])cc1F ZINC001206036896 1024109249 /nfs/dbraw/zinc/10/92/49/1024109249.db2.gz ACLAPHDNVWYMBO-UHFFFAOYSA-N -1 3 302.349 3.886 20 0 DHADHM CCO[C@H](CCNC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC001137184466 1024246218 /nfs/dbraw/zinc/24/62/18/1024246218.db2.gz ZZDRCNCLBQTDCK-OAHLLOKOSA-N -1 3 321.442 3.788 20 0 DHADHM CCc1cc2c(CN3Cc4ccccc4C3)cc(=O)oc2cc1[O-] ZINC000772752549 1024264165 /nfs/dbraw/zinc/26/41/65/1024264165.db2.gz YLKALVIOXPFFFL-UHFFFAOYSA-N -1 3 321.376 3.577 20 0 DHADHM CC(C)Cc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000790787494 1024374580 /nfs/dbraw/zinc/37/45/80/1024374580.db2.gz GHXCTWZGTBFVGB-UHFFFAOYSA-N -1 3 301.361 3.660 20 0 DHADHM CC[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)OC(C)(C)C ZINC000791289226 1024469125 /nfs/dbraw/zinc/46/91/25/1024469125.db2.gz RTMMLSZGPDGUTG-LLVKDONJSA-N -1 3 309.387 3.507 20 0 DHADHM C[C@@H](COc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792068204 1024622325 /nfs/dbraw/zinc/62/23/25/1024622325.db2.gz LZULDJHTYCDGAL-AWEZNQCLSA-N -1 3 321.376 3.743 20 0 DHADHM CC(C)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1cccnc1 ZINC000278956453 1024642977 /nfs/dbraw/zinc/64/29/77/1024642977.db2.gz WCZOKAKEOYJFHE-OAHLLOKOSA-N -1 3 318.804 3.610 20 0 DHADHM CC(C)c1cc(CNC(=O)c2cc([O-])c3ccccc3c2)on1 ZINC000792175942 1024643847 /nfs/dbraw/zinc/64/38/47/1024643847.db2.gz XPMGFWRUSRJVFM-UHFFFAOYSA-N -1 3 310.353 3.587 20 0 DHADHM CCCCc1nc(NC(=O)C(C)=C(C)CC)c(C(=O)OCC)[n-]1 ZINC000792554227 1024681553 /nfs/dbraw/zinc/68/15/53/1024681553.db2.gz ZUZLEBUSXPQLKH-VAWYXSNFSA-N -1 3 321.421 3.614 20 0 DHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(Cl)cc1 ZINC000800205254 1024738190 /nfs/dbraw/zinc/73/81/90/1024738190.db2.gz FLZMYGJFSODQGN-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(Cl)cc1 ZINC000800205254 1024738202 /nfs/dbraw/zinc/73/82/02/1024738202.db2.gz FLZMYGJFSODQGN-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000800205254 1024738215 /nfs/dbraw/zinc/73/82/15/1024738215.db2.gz FLZMYGJFSODQGN-SECBINFHSA-N -1 3 301.733 3.529 20 0 DHADHM O=C(N[C@H]1CCCc2c(O)cccc21)c1cc([O-])ccc1Cl ZINC000349729350 1024744038 /nfs/dbraw/zinc/74/40/38/1024744038.db2.gz IQPNRBMHTZUGLR-HNNXBMFYSA-N -1 3 317.772 3.559 20 0 DHADHM O=c1nc(-c2cncs2)[n-]c2sc3c(c21)CCCCC3 ZINC000408353414 1024811940 /nfs/dbraw/zinc/81/19/40/1024811940.db2.gz BEWPXYQKKFAGHM-UHFFFAOYSA-N -1 3 303.412 3.789 20 0 DHADHM CCSc1cccc(CNCc2ccc(CC(=O)[O-])cc2)c1 ZINC000859820566 1033242930 /nfs/dbraw/zinc/24/29/30/1033242930.db2.gz UYNZZNFUJFCQGX-UHFFFAOYSA-N -1 3 315.438 3.716 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc(-c2cccs2)s1 ZINC000263358984 1024945564 /nfs/dbraw/zinc/94/55/64/1024945564.db2.gz ROTHSRKLDFAIOK-WDEREUQCSA-N -1 3 322.455 3.557 20 0 DHADHM COc1c2ccccc2oc1CNCc1c(F)ccc([O-])c1F ZINC000353150430 1024970537 /nfs/dbraw/zinc/97/05/37/1024970537.db2.gz CIYFUJZLSWSJOP-UHFFFAOYSA-N -1 3 319.307 3.715 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000121048353 1025073524 /nfs/dbraw/zinc/07/35/24/1025073524.db2.gz FULLMLXIAPEPRG-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM COc1cc(F)c(F)cc1NCc1c(F)ccc([O-])c1F ZINC000353577920 1025138537 /nfs/dbraw/zinc/13/85/37/1025138537.db2.gz TUDKDQGRXRENLO-UHFFFAOYSA-N -1 3 301.239 3.569 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000626194997 1025233440 /nfs/dbraw/zinc/23/34/40/1025233440.db2.gz KSNXJMMXTNQPPM-UHFFFAOYSA-N -1 3 314.360 3.544 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC=CCC3)nc2)n1 ZINC000884848477 1025250083 /nfs/dbraw/zinc/25/00/83/1025250083.db2.gz YQVZWKNPBPPTMH-UHFFFAOYSA-N -1 3 310.401 3.717 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000614025969 1025314862 /nfs/dbraw/zinc/31/48/62/1025314862.db2.gz CQUWDVHFBZEBDQ-VIFPVBQESA-N -1 3 319.348 3.529 20 0 DHADHM [O-]c1cc(O)cc(O[C@H]2CC3CCC2CC3)c1Br ZINC001229100690 1025325384 /nfs/dbraw/zinc/32/53/84/1025325384.db2.gz VCJRQADFMKQULB-KWPJZBAWSA-N -1 3 313.191 3.818 20 0 DHADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCCC(F)(F)F ZINC000897458032 1025351457 /nfs/dbraw/zinc/35/14/57/1025351457.db2.gz PGPQCQKFTQUCGM-UHFFFAOYSA-N -1 3 315.335 3.887 20 0 DHADHM CCc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)o1 ZINC000354208329 1025351736 /nfs/dbraw/zinc/35/17/36/1025351736.db2.gz PZPFWPXOZMEGSO-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129614064 1025356462 /nfs/dbraw/zinc/35/64/62/1025356462.db2.gz ZXINCWOKLDMBGI-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129614064 1025356473 /nfs/dbraw/zinc/35/64/73/1025356473.db2.gz ZXINCWOKLDMBGI-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccc3ccccc3n2)n1 ZINC000125735635 1025491731 /nfs/dbraw/zinc/49/17/31/1025491731.db2.gz GIVXMDFNQTYTBB-UHFFFAOYSA-N -1 3 311.410 3.726 20 0 DHADHM COc1cc(C)cc(CNCc2ccc([O-])c(Cl)c2)c1OC ZINC000886184047 1025550860 /nfs/dbraw/zinc/55/08/60/1025550860.db2.gz SRKINURBAKMWKM-UHFFFAOYSA-N -1 3 321.804 3.661 20 0 DHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000127762333 1025552318 /nfs/dbraw/zinc/55/23/18/1025552318.db2.gz LJPYRHPMNSLEBA-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM CSc1cc(F)ccc1[N-]C(=O)c1c2c(ccc1F)OCO2 ZINC001130294065 1025633936 /nfs/dbraw/zinc/63/39/36/1025633936.db2.gz VNIFETIISZIZBD-UHFFFAOYSA-N -1 3 323.320 3.668 20 0 DHADHM Cc1c([N-]c2nc3ccc(F)cc3o2)cnn1C1CCOCC1 ZINC000894015479 1025659260 /nfs/dbraw/zinc/65/92/60/1025659260.db2.gz NGACXIXULWYBFQ-UHFFFAOYSA-N -1 3 316.336 3.567 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nsc2ccccc21 ZINC001130344896 1025659893 /nfs/dbraw/zinc/65/98/93/1025659893.db2.gz WDVAGEWKBMUWHK-UHFFFAOYSA-N -1 3 309.297 3.783 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ccccc1SC ZINC000152139159 1025802945 /nfs/dbraw/zinc/80/29/45/1025802945.db2.gz OPBGZZGUJWFDOY-UHFFFAOYSA-N -1 3 309.337 3.948 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000075200132 1025834037 /nfs/dbraw/zinc/83/40/37/1025834037.db2.gz OXCIMTYFQPEGJQ-AWEZNQCLSA-N -1 3 313.422 3.647 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(Cl)nc2ccccn21 ZINC000067145408 1025863903 /nfs/dbraw/zinc/86/39/03/1025863903.db2.gz CXLWEIPYNBNYQU-UHFFFAOYSA-N -1 3 322.151 3.599 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000356006826 1025914898 /nfs/dbraw/zinc/91/48/98/1025914898.db2.gz HMQBSKLAFNPETN-UHFFFAOYSA-N -1 3 312.291 3.851 20 0 DHADHM Cc1ncoc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000747376774 1026034842 /nfs/dbraw/zinc/03/48/42/1026034842.db2.gz ZHRBAQWOGNKYEV-UHFFFAOYSA-N -1 3 302.277 3.847 20 0 DHADHM CCOc1cc(C(=O)[N-]c2c(C(C)=O)ccc3ccccc32)on1 ZINC001130902681 1026051507 /nfs/dbraw/zinc/05/15/07/1026051507.db2.gz ZVUWCLTWUYHVII-UHFFFAOYSA-N -1 3 324.336 3.681 20 0 DHADHM CO[C@H]1CCOc2c(NCc3ccc([O-])c(F)c3)cccc21 ZINC000894128853 1026085693 /nfs/dbraw/zinc/08/56/93/1026085693.db2.gz YSDHQWWWLGWZHP-INIZCTEOSA-N -1 3 303.333 3.613 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=C(C)c2ccc(F)cc2)c1[O-] ZINC000808189258 1026222187 /nfs/dbraw/zinc/22/21/87/1026222187.db2.gz NNHYOMPSRKORBL-ZHACJKMWSA-N -1 3 313.328 3.776 20 0 DHADHM CCOC(=O)c1cccc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)c1 ZINC000357069217 1026302578 /nfs/dbraw/zinc/30/25/78/1026302578.db2.gz LZGQXIXATRFLNB-NSHDSACASA-N -1 3 318.398 3.521 20 0 DHADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1ccccc1F ZINC000808494321 1026309449 /nfs/dbraw/zinc/30/94/49/1026309449.db2.gz MWZXORFNNHEWON-BONVTDFDSA-N -1 3 321.298 3.556 20 0 DHADHM O=C([N-]c1cccc2nonc21)c1coc(C2CCCCC2)n1 ZINC000808799837 1026400401 /nfs/dbraw/zinc/40/04/01/1026400401.db2.gz JGRFGARGQXVGBH-UHFFFAOYSA-N -1 3 312.329 3.511 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(Cl)c(F)c1)c1cccs1 ZINC000043389499 1026464257 /nfs/dbraw/zinc/46/42/57/1026464257.db2.gz BMTQAPUBTIAGTD-LBPRGKRZSA-N -1 3 313.781 3.846 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1sccc1Cl ZINC000809377077 1026515747 /nfs/dbraw/zinc/51/57/47/1026515747.db2.gz BBYIIZBFLHPICR-UHFFFAOYSA-N -1 3 309.818 3.972 20 0 DHADHM CC[C@H]1C[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810661240 1026830983 /nfs/dbraw/zinc/83/09/83/1026830983.db2.gz STJDFWDJCALBMF-UWVGGRQHSA-N -1 3 313.806 3.997 20 0 DHADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccnn1C ZINC000810805491 1026851975 /nfs/dbraw/zinc/85/19/75/1026851975.db2.gz GGLAPBGSIWBKNC-ZETCQYMHSA-N -1 3 309.778 3.534 20 0 DHADHM CCO[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])C1=CCCC1 ZINC000072701089 1027010504 /nfs/dbraw/zinc/01/05/04/1027010504.db2.gz YESUXFLRPQERFV-HNNXBMFYSA-N -1 3 309.793 3.890 20 0 DHADHM COc1cccc2c(NCc3ncccc3[O-])cc(Cl)nc12 ZINC001158770907 1027130156 /nfs/dbraw/zinc/13/01/56/1027130156.db2.gz MZLZOTYJHDETCX-UHFFFAOYSA-N -1 3 315.760 3.610 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000572229518 1027186466 /nfs/dbraw/zinc/18/64/66/1027186466.db2.gz HZXNAUGQMMVPLQ-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C(CCCc1cccc(C(F)(F)F)c1)[N-]OC/C=C\Cl ZINC000812404442 1027267671 /nfs/dbraw/zinc/26/76/71/1027267671.db2.gz DIHJPQLGPVKARV-BAQGIRSFSA-N -1 3 321.726 3.828 20 0 DHADHM COc1ccc(CCCCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC000812407526 1027284127 /nfs/dbraw/zinc/28/41/27/1027284127.db2.gz CDHSSFSPCLEPTA-LFYBBSHMSA-N -1 3 311.809 3.598 20 0 DHADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2nc3ccccc3o2)n1 ZINC000778047160 1027324404 /nfs/dbraw/zinc/32/44/04/1027324404.db2.gz WTGLMKLSITYREE-SNVBAGLBSA-N -1 3 301.371 3.626 20 0 DHADHM Cc1cccc(OC[C@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000574243565 1027377319 /nfs/dbraw/zinc/37/73/19/1027377319.db2.gz LAPFUIILWCVXQY-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1[O-] ZINC000575830777 1027510785 /nfs/dbraw/zinc/51/07/85/1027510785.db2.gz VJTQWFUNSQYBQQ-UHFFFAOYSA-N -1 3 314.385 3.846 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCC3CC3)c2)n1 ZINC000813072117 1027521108 /nfs/dbraw/zinc/52/11/08/1027521108.db2.gz DFLWASQNKFKWSV-UHFFFAOYSA-N -1 3 312.369 3.643 20 0 DHADHM COc1cnc([C@H]2CCCN2CCCC2CCCCC2)[n-]c1=O ZINC000934277214 1027948640 /nfs/dbraw/zinc/94/86/40/1027948640.db2.gz ZGJJFYBMXIRCMP-OAHLLOKOSA-N -1 3 319.449 3.688 20 0 DHADHM Cc1cc(C(F)(F)C(=O)[N-]C(C)(C)/C=C/Cl)cnc1Cl ZINC000830229502 1027979578 /nfs/dbraw/zinc/97/95/78/1027979578.db2.gz ZETKURVHLSOAKB-SNAWJCMRSA-N -1 3 323.170 3.783 20 0 DHADHM CCc1nc(C)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000814346628 1028019382 /nfs/dbraw/zinc/01/93/82/1028019382.db2.gz GIZJRVADUDWMGV-UHFFFAOYSA-N -1 3 320.418 3.697 20 0 DHADHM CCCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)CCC ZINC000563372885 1028021779 /nfs/dbraw/zinc/02/17/79/1028021779.db2.gz APSFXTNTQJSZGX-CYBMUJFWSA-N -1 3 319.449 3.881 20 0 DHADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc([O-])c2ccccc2c1 ZINC000366200669 1028062053 /nfs/dbraw/zinc/06/20/53/1028062053.db2.gz GWFYGDYWCCYYGD-DFQSSKMNSA-N -1 3 315.372 3.614 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1nccs1 ZINC000366227045 1028066409 /nfs/dbraw/zinc/06/64/09/1028066409.db2.gz FXRUXWALBZBEHV-OAHLLOKOSA-N -1 3 324.405 3.979 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000448968685 1028217438 /nfs/dbraw/zinc/21/74/38/1028217438.db2.gz LTVDUZBVJKBURJ-RDJZCZTQSA-N -1 3 313.372 3.526 20 0 DHADHM CCOC1CC(SCc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000578982383 1028292811 /nfs/dbraw/zinc/29/28/11/1028292811.db2.gz BRHVUKCJZNZTLX-UHFFFAOYSA-N -1 3 316.426 3.650 20 0 DHADHM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc([O-])ccc1Cl ZINC000368125360 1028309041 /nfs/dbraw/zinc/30/90/41/1028309041.db2.gz QGKFQRNCFWEOFI-XYPYZODXSA-N -1 3 319.763 3.861 20 0 DHADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccccc1F ZINC000579484038 1028419228 /nfs/dbraw/zinc/41/92/28/1028419228.db2.gz GENWCGDWVNNQDB-INIZCTEOSA-N -1 3 301.361 3.516 20 0 DHADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1F ZINC000579484039 1028419605 /nfs/dbraw/zinc/41/96/05/1028419605.db2.gz GENWCGDWVNNQDB-MRXNPFEDSA-N -1 3 301.361 3.516 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370593670 1028624183 /nfs/dbraw/zinc/62/41/83/1028624183.db2.gz MPACRNBINQYNOR-HNNXBMFYSA-N -1 3 322.364 3.901 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cn1 ZINC000189759874 1028679765 /nfs/dbraw/zinc/67/97/65/1028679765.db2.gz IDDUVLADDIQPOK-JTQLQIEISA-N -1 3 310.731 3.704 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000627606524 1028783979 /nfs/dbraw/zinc/78/39/79/1028783979.db2.gz MIXOLIGFYWIPAK-QWRGUYRKSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000372213269 1028823887 /nfs/dbraw/zinc/82/38/87/1028823887.db2.gz XDXOWRMJDNZLFG-CQSZACIVSA-N -1 3 323.799 3.564 20 0 DHADHM CC[C@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000190212139 1028839300 /nfs/dbraw/zinc/83/93/00/1028839300.db2.gz FTPJBGNKGNMHJK-HNNXBMFYSA-N -1 3 318.244 3.684 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000627982001 1028845281 /nfs/dbraw/zinc/84/52/81/1028845281.db2.gz RCSHBMUDMFMQDB-IBGZPJMESA-N -1 3 313.372 3.644 20 0 DHADHM CC(C)[C@H]1C[C@H](CC(=O)Nc2c([O-])cccc2Cl)CCO1 ZINC000567365517 1028881301 /nfs/dbraw/zinc/88/13/01/1028881301.db2.gz DKJVRSCEUFPQJH-BXUZGUMPSA-N -1 3 311.809 3.825 20 0 DHADHM O=C(Nc1cc(=O)c(Cl)c[nH]1)c1cc([O-])c2ccccc2c1 ZINC000816543698 1028927533 /nfs/dbraw/zinc/92/75/33/1028927533.db2.gz KYWRCIOGHRPKJX-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM Cc1nc2c(s1)[C@@H](NCc1c(F)ccc([O-])c1F)CCC2 ZINC000816566511 1028948499 /nfs/dbraw/zinc/94/84/99/1028948499.db2.gz XSBYLCMEGIKVBD-NSHDSACASA-N -1 3 310.369 3.603 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000816769016 1028996527 /nfs/dbraw/zinc/99/65/27/1028996527.db2.gz QPCUUEWYMAODID-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM Cc1[nH]nc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1[O-] ZINC001135685853 1028999794 /nfs/dbraw/zinc/99/97/94/1028999794.db2.gz WWQKWUDNJIGREC-UHFFFAOYSA-N -1 3 308.293 3.542 20 0 DHADHM CN(C[C@H]1CC=CCC1)C(=O)c1cc([O-])cc(Br)c1 ZINC000529014718 1029021891 /nfs/dbraw/zinc/02/18/91/1029021891.db2.gz LRNHRWLAQYQJKV-NSHDSACASA-N -1 3 324.218 3.583 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(C2CC2)CC1 ZINC000816907554 1029035426 /nfs/dbraw/zinc/03/54/26/1029035426.db2.gz YMMJGLGYCRANDY-UHFFFAOYSA-N -1 3 301.411 3.869 20 0 DHADHM O=C(CCc1cc(Cl)cs1)[N-]OCCCC(F)(F)F ZINC000871213884 1029046165 /nfs/dbraw/zinc/04/61/65/1029046165.db2.gz ZYWTXMZSRWAXLN-UHFFFAOYSA-N -1 3 315.744 3.724 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000449865780 1029047140 /nfs/dbraw/zinc/04/71/40/1029047140.db2.gz AYPZJVXJGLMVDI-AWEZNQCLSA-N -1 3 319.401 3.807 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001135807893 1029064117 /nfs/dbraw/zinc/06/41/17/1029064117.db2.gz FMVOMDACKVAAHI-UHFFFAOYSA-N -1 3 321.279 3.528 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000449916243 1029080361 /nfs/dbraw/zinc/08/03/61/1029080361.db2.gz WHHOFTQPDWGJOF-JKSUJKDBSA-N -1 3 313.372 3.731 20 0 DHADHM Cc1cccc([O-])c1C(=O)NCCSCc1ccccc1F ZINC001135822356 1029082547 /nfs/dbraw/zinc/08/25/47/1029082547.db2.gz NRFSQXZBQQYGKM-UHFFFAOYSA-N -1 3 319.401 3.503 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000411290851 1029095289 /nfs/dbraw/zinc/09/52/89/1029095289.db2.gz KNUUNLWGNKTKNL-UONOGXRCSA-N -1 3 322.368 3.587 20 0 DHADHM COc1ccc2cc(CNC(=O)c3c(C)cccc3[O-])ccc2c1 ZINC001135899377 1029140063 /nfs/dbraw/zinc/14/00/63/1029140063.db2.gz DQDQKBBUBYBGAN-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM O=C(Cc1coc2ccc3ccccc3c12)[N-]OCCC1CC1 ZINC000817403732 1029148245 /nfs/dbraw/zinc/14/82/45/1029148245.db2.gz MTGDFCFMYVWGSH-UHFFFAOYSA-N -1 3 309.365 3.976 20 0 DHADHM O=C(CCCOc1cccc2ccccc21)[N-]OCCC1CC1 ZINC000817408121 1029150690 /nfs/dbraw/zinc/15/06/90/1029150690.db2.gz MIZJZBSZPNIDSV-UHFFFAOYSA-N -1 3 313.397 3.847 20 0 DHADHM O=C(CCc1nc2cc(Cl)ccc2s1)[N-]OCCC1CC1 ZINC000817413468 1029153060 /nfs/dbraw/zinc/15/30/60/1029153060.db2.gz UFLOECHFKUWHCS-UHFFFAOYSA-N -1 3 324.833 3.730 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccccc2C)c1[O-] ZINC000529390455 1029251736 /nfs/dbraw/zinc/25/17/36/1029251736.db2.gz YUFGSRPKFQMEHN-CYBMUJFWSA-N -1 3 311.381 3.721 20 0 DHADHM Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000817922483 1029277186 /nfs/dbraw/zinc/27/71/86/1029277186.db2.gz HJGJBBRCOIWJCE-QGZVFWFLSA-N -1 3 310.397 3.732 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000529440094 1029297496 /nfs/dbraw/zinc/29/74/96/1029297496.db2.gz UBCQWANDILVZTC-OXHMUOHRSA-N -1 3 324.218 3.694 20 0 DHADHM Nc1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c([O-])c1 ZINC000817996727 1029303634 /nfs/dbraw/zinc/30/36/34/1029303634.db2.gz GYNVGDANPSIJSN-QGZVFWFLSA-N -1 3 324.424 3.602 20 0 DHADHM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000629372068 1029316202 /nfs/dbraw/zinc/31/62/02/1029316202.db2.gz BBJHXXBLQDFWFG-LNLFQRSKSA-N -1 3 324.424 3.618 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@@H]2CCC[C@H]21 ZINC000629374035 1029317482 /nfs/dbraw/zinc/31/74/82/1029317482.db2.gz OQVNNTMCYJSIFT-GZBFAFLISA-N -1 3 311.784 3.554 20 0 DHADHM O=C(CCOc1ccccc1F)Nc1c([O-])cccc1Cl ZINC000570314189 1029349601 /nfs/dbraw/zinc/34/96/01/1029349601.db2.gz XDZQJWVKNVXIAO-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM Cc1cnc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)s1 ZINC000191292939 1029358738 /nfs/dbraw/zinc/35/87/38/1029358738.db2.gz YWZPVAUJVGLIQX-MRVPVSSYSA-N -1 3 300.786 3.800 20 0 DHADHM CCc1noc(CC)c1CNCc1c([O-])ccc(Cl)c1F ZINC000191305232 1029369017 /nfs/dbraw/zinc/36/90/17/1029369017.db2.gz CLBRACJUMJSHSJ-UHFFFAOYSA-N -1 3 312.772 3.587 20 0 DHADHM C[C@]12CCCC[C@H]1CN2C(=O)c1cc([O-])cc(Br)c1 ZINC000629619800 1029387735 /nfs/dbraw/zinc/38/77/35/1029387735.db2.gz NANMFLMBMGKUNO-NHYWBVRUSA-N -1 3 324.218 3.559 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCc2c(C)cc(C)cc2C)c1 ZINC001136181279 1029466447 /nfs/dbraw/zinc/46/64/47/1029466447.db2.gz HOKXDXVZTAKTGD-UHFFFAOYSA-N -1 3 315.438 3.969 20 0 DHADHM CC1(C(=O)Nc2cc(Br)ccc2[O-])CC(F)(F)C1 ZINC000821344296 1029830460 /nfs/dbraw/zinc/83/04/60/1029830460.db2.gz PACJOQKSZBYXLJ-UHFFFAOYSA-N -1 3 320.133 3.529 20 0 DHADHM CO[C@@H](C)c1nc(CN[C@@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000925238037 1029995313 /nfs/dbraw/zinc/99/53/13/1029995313.db2.gz RTAALHBMBSKJEM-UWVGGRQHSA-N -1 3 310.394 3.546 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000794866721 1030016224 /nfs/dbraw/zinc/01/62/24/1030016224.db2.gz VUUJKFMXMYMHLS-NWDGAFQWSA-N -1 3 311.809 3.643 20 0 DHADHM c1ccc(-c2noc([N-]Cc3nc4c(s3)CCCC4)n2)cc1 ZINC000777514662 1030084728 /nfs/dbraw/zinc/08/47/28/1030084728.db2.gz BTVTUERDULPKHI-UHFFFAOYSA-N -1 3 312.398 3.684 20 0 DHADHM CCc1cccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1[O-] ZINC000557376309 1030109237 /nfs/dbraw/zinc/10/92/37/1030109237.db2.gz KRAMPPRGAVXTMX-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM CC(C)(C)C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000452080916 1030119088 /nfs/dbraw/zinc/11/90/88/1030119088.db2.gz PTMLEKGYWIFWIM-NSHDSACASA-N -1 3 305.447 3.655 20 0 DHADHM Cc1ncc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000866076954 1030120005 /nfs/dbraw/zinc/12/00/05/1030120005.db2.gz IDGWLKNFSHTRNT-MRVPVSSYSA-N -1 3 314.332 3.560 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000822917593 1030159846 /nfs/dbraw/zinc/15/98/46/1030159846.db2.gz FYYAFBDGLBHPAM-ZACQAIPSSA-N -1 3 303.402 3.535 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2conc2C(F)(F)F)n1 ZINC000823215472 1030233114 /nfs/dbraw/zinc/23/31/14/1030233114.db2.gz NGSFLXFUZBQSQF-UHFFFAOYSA-N -1 3 305.281 3.526 20 0 DHADHM O=C(NCc1cccc(F)c1)c1cc2sccc2c([O-])c1 ZINC000788276519 1030536375 /nfs/dbraw/zinc/53/63/75/1030536375.db2.gz NEPFXKWNPOFJGT-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM C[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc(F)c1 ZINC000926142540 1030630794 /nfs/dbraw/zinc/63/07/94/1030630794.db2.gz KURVJZZCIQVKDR-RTHLEPHNSA-N -1 3 309.287 3.594 20 0 DHADHM Nc1ccc(N(c2ccc([O-])c(F)c2F)C2CCCC2)nc1 ZINC001212005171 1030637381 /nfs/dbraw/zinc/63/73/81/1030637381.db2.gz AVIZSNCWPXUWCJ-UHFFFAOYSA-N -1 3 305.328 3.728 20 0 DHADHM Cc1cn(-c2ccc(Nc3ccc([O-])c(F)c3F)cc2)cn1 ZINC001212007467 1030642899 /nfs/dbraw/zinc/64/28/99/1030642899.db2.gz GZABPHOPXSEAMR-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM COc1cc2cccnc2c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009915 1030649743 /nfs/dbraw/zinc/64/97/43/1030649743.db2.gz YUZWNTWBDFVPIV-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(Nc2ccc(O)cc2Br)c(F)c1F ZINC001212014079 1030661189 /nfs/dbraw/zinc/66/11/89/1030661189.db2.gz YLMZHMCLLYPATR-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCOC(=O)Cc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212016291 1030671698 /nfs/dbraw/zinc/67/16/98/1030671698.db2.gz IQTCGAQELADHPM-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)c2ncccc12 ZINC000558717427 1030744615 /nfs/dbraw/zinc/74/46/15/1030744615.db2.gz QUGQETBCBQSKMG-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248684606 1030759582 /nfs/dbraw/zinc/75/95/82/1030759582.db2.gz GTQFNLNLQRYMQT-XIKOKIGWSA-N -1 3 319.351 3.632 20 0 DHADHM CC1(CC(F)F)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000844006631 1030934042 /nfs/dbraw/zinc/93/40/42/1030934042.db2.gz FTKCRVZBGPUCKN-UHFFFAOYSA-N -1 3 305.324 3.663 20 0 DHADHM CCCO[N-]C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000844081035 1030949961 /nfs/dbraw/zinc/94/99/61/1030949961.db2.gz TZGZYVMYLRZINM-UHFFFAOYSA-N -1 3 311.381 3.774 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(CCF)CC1 ZINC000870280700 1030965843 /nfs/dbraw/zinc/96/58/43/1030965843.db2.gz NTIJAQLOMNQNTE-UHFFFAOYSA-N -1 3 307.390 3.819 20 0 DHADHM C[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1F ZINC000871211458 1031163223 /nfs/dbraw/zinc/16/32/23/1031163223.db2.gz SSTWQLWOJZCWSA-SNVBAGLBSA-N -1 3 307.287 3.710 20 0 DHADHM Cc1ccc2occ(CC(=O)[N-]OCCCC(F)(F)F)c2c1 ZINC000871217653 1031164666 /nfs/dbraw/zinc/16/46/66/1031164666.db2.gz NWVLMKUTUTWFLL-UHFFFAOYSA-N -1 3 315.291 3.674 20 0 DHADHM CC(C)C[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000263453490 1031196274 /nfs/dbraw/zinc/19/62/74/1031196274.db2.gz BGCRIYXCSSEHEI-JTQLQIEISA-N -1 3 304.217 3.830 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(F)cc2C)n1 ZINC001171132069 1031204039 /nfs/dbraw/zinc/20/40/39/1031204039.db2.gz CGJVIFJUONXJGG-MRXNPFEDSA-N -1 3 315.392 3.529 20 0 DHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000455668853 1031278091 /nfs/dbraw/zinc/27/80/91/1031278091.db2.gz ZRMCTDNPUYBRTE-ZDUSSCGKSA-N -1 3 315.335 3.795 20 0 DHADHM CCOc1cccc(F)c1CN[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000871874261 1031363944 /nfs/dbraw/zinc/36/39/44/1031363944.db2.gz JSWHBAYAFOFUGI-AWEZNQCLSA-N -1 3 311.397 3.594 20 0 DHADHM CCC(=O)Nc1cccc(CN[C@H](C)c2cccc([O-])c2F)c1 ZINC000872025272 1031409789 /nfs/dbraw/zinc/40/97/89/1031409789.db2.gz JPEIVMZWKDZARX-GFCCVEGCSA-N -1 3 316.376 3.731 20 0 DHADHM COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872040346 1031425154 /nfs/dbraw/zinc/42/51/54/1031425154.db2.gz XZNXTKOTKXADLP-ABAIWWIYSA-N -1 3 317.360 3.714 20 0 DHADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc([O-])c1F ZINC000872056353 1031444754 /nfs/dbraw/zinc/44/47/54/1031444754.db2.gz QPYADFWQVKSLDH-ZDUSSCGKSA-N -1 3 316.376 3.541 20 0 DHADHM COCC[C@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(C)o1 ZINC000872060344 1031454580 /nfs/dbraw/zinc/45/45/80/1031454580.db2.gz PAZDNYFBEFDXJW-OCCSQVGLSA-N -1 3 307.365 3.861 20 0 DHADHM C[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc([O-])c1F ZINC000872062946 1031458476 /nfs/dbraw/zinc/45/84/76/1031458476.db2.gz RAJLOSISMUGHMT-UFBFGSQYSA-N -1 3 309.287 3.594 20 0 DHADHM C[C@H](N[C@H]1CCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872064234 1031459321 /nfs/dbraw/zinc/45/93/21/1031459321.db2.gz DJWXUNVDTFRWNG-HZMBPMFUSA-N -1 3 305.324 3.845 20 0 DHADHM COc1ccc([C@H](C)N[C@H](C)c2cccc([O-])c2F)c(OC)c1 ZINC000872089598 1031486268 /nfs/dbraw/zinc/48/62/68/1031486268.db2.gz ALRFEBOUTIAYLT-NWDGAFQWSA-N -1 3 319.376 3.960 20 0 DHADHM CC[C@@H](Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1C ZINC001171200786 1031742958 /nfs/dbraw/zinc/74/29/58/1031742958.db2.gz AQZYUYBJZVGZRS-MRXNPFEDSA-N -1 3 311.364 3.877 20 0 DHADHM CC[C@@H](Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1C ZINC001171200786 1031742977 /nfs/dbraw/zinc/74/29/77/1031742977.db2.gz AQZYUYBJZVGZRS-MRXNPFEDSA-N -1 3 311.364 3.877 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(F)c(C2CC2)c1 ZINC001144631038 1031779383 /nfs/dbraw/zinc/77/93/83/1031779383.db2.gz CTHNMWGPJGGXRS-UHFFFAOYSA-N -1 3 303.308 3.729 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC001144657633 1031795179 /nfs/dbraw/zinc/79/51/79/1031795179.db2.gz AYAYFMFNAOMPEW-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM CN(CCc1ccc(Cl)cc1)Cc1cc(F)c([O-])cc1F ZINC001144657788 1031796278 /nfs/dbraw/zinc/79/62/78/1031796278.db2.gz IHFCVHANMCNAIM-UHFFFAOYSA-N -1 3 311.759 3.998 20 0 DHADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccc3F)C2)cc1F ZINC001144665385 1031799403 /nfs/dbraw/zinc/79/94/03/1031799403.db2.gz AABRECKPYDUZAS-NSHDSACASA-N -1 3 307.315 3.799 20 0 DHADHM CC(C)Cc1ncc(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000930422259 1031813955 /nfs/dbraw/zinc/81/39/55/1031813955.db2.gz DLANNFOGMLZRMV-UHFFFAOYSA-N -1 3 310.448 3.569 20 0 DHADHM CCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1OC ZINC000294140663 1031827370 /nfs/dbraw/zinc/82/73/70/1031827370.db2.gz HLFIVVAQXUGTMX-UHFFFAOYSA-N -1 3 309.312 3.690 20 0 DHADHM O=C([O-])Cc1ccccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000846234554 1031938392 /nfs/dbraw/zinc/93/83/92/1031938392.db2.gz HJYMTKYMBSUZJZ-SFHVURJKSA-N -1 3 313.372 3.790 20 0 DHADHM CC(C)O[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000846368468 1031976209 /nfs/dbraw/zinc/97/62/09/1031976209.db2.gz YTFITQVOBSTLTE-ZDUSSCGKSA-N -1 3 319.426 3.637 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1cnn(CC2CCC2)c1 ZINC000898183063 1031985247 /nfs/dbraw/zinc/98/52/47/1031985247.db2.gz XXKOJXUXDSIHCW-GFCCVEGCSA-N -1 3 319.836 3.893 20 0 DHADHM CC(C)(C)c1coc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000898301050 1032026825 /nfs/dbraw/zinc/02/68/25/1032026825.db2.gz QIHXABORLXLPKV-UHFFFAOYSA-N -1 3 320.201 3.988 20 0 DHADHM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000561699690 1032038383 /nfs/dbraw/zinc/03/83/83/1032038383.db2.gz STNYQCXDMGTOKP-ONEGZZNKSA-N -1 3 303.383 3.529 20 0 DHADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1c([O-])cccc1Cl ZINC000552780742 1033509030 /nfs/dbraw/zinc/50/90/30/1033509030.db2.gz NKEUIIYZWBGFPO-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)cc1C ZINC000478704914 1033556678 /nfs/dbraw/zinc/55/66/78/1033556678.db2.gz QRKBDBVBFNCGDU-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM C[C@H]1Cc2ccccc2N(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878056353 1033568266 /nfs/dbraw/zinc/56/82/66/1033568266.db2.gz DSAQVDCIQHLJAQ-ZDUSSCGKSA-N -1 3 321.380 3.641 20 0 DHADHM CCOc1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1Cl ZINC001212708443 1033572287 /nfs/dbraw/zinc/57/22/87/1033572287.db2.gz IFSPPGKWAHMEEC-UHFFFAOYSA-N -1 3 317.732 3.556 20 0 DHADHM CC(C)CCN(CCC(C)C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553481143 1033709720 /nfs/dbraw/zinc/70/97/20/1033709720.db2.gz FOTXLGOYTLADRX-UHFFFAOYSA-N -1 3 319.449 3.594 20 0 DHADHM C[C@@H]1C[C@H]1N(Cc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878709634 1033804030 /nfs/dbraw/zinc/80/40/30/1033804030.db2.gz PWFKVTYTTMFRGV-CZUORRHYSA-N -1 3 321.380 3.857 20 0 DHADHM CCN(Cn1c(Cc2cccs2)n[n-]c1=S)C1CCCC1 ZINC000127395303 1033854858 /nfs/dbraw/zinc/85/48/58/1033854858.db2.gz QYVPRFXXPRNGPK-UHFFFAOYSA-N -1 3 322.503 3.815 20 0 DHADHM CC(C)(C)c1csc(C(=O)[N-]c2cc(C(F)(F)F)no2)n1 ZINC000878978449 1033883936 /nfs/dbraw/zinc/88/39/36/1033883936.db2.gz JKVPZDBPPXVXPM-UHFFFAOYSA-N -1 3 319.308 3.700 20 0 DHADHM COc1cc(OC)c(Nc2cccc(Cl)c2[O-])c(OC)c1 ZINC001173909542 1033940045 /nfs/dbraw/zinc/94/00/45/1033940045.db2.gz UWQJIPBKNRFGSN-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM CC(=O)Nc1ccccc1Nc1cccc([O-])c1Br ZINC001173997826 1034029576 /nfs/dbraw/zinc/02/95/76/1034029576.db2.gz XETJZPLELRKAFI-UHFFFAOYSA-N -1 3 321.174 3.857 20 0 DHADHM Cc1cc2scc(CC(=O)[N-]OCCC(F)(F)F)c2s1 ZINC000879566630 1034052590 /nfs/dbraw/zinc/05/25/90/1034052590.db2.gz IBGBXPPCIJNBJT-UHFFFAOYSA-N -1 3 323.361 3.814 20 0 DHADHM CCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C ZINC000863526610 1034116400 /nfs/dbraw/zinc/11/64/00/1034116400.db2.gz RPKPLANPZZHCTK-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM Cc1c(-c2ccccc2)sc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000178984558 1034275682 /nfs/dbraw/zinc/27/56/82/1034275682.db2.gz VYHALULCHFVXDA-GFCCVEGCSA-N -1 3 312.394 3.812 20 0 DHADHM CC(C)(CCN1CCc2ccc(C(F)(F)F)cc2C1)C(=O)[O-] ZINC000864360434 1034330743 /nfs/dbraw/zinc/33/07/43/1034330743.db2.gz IWMKEIADMQAQRX-UHFFFAOYSA-N -1 3 315.335 3.564 20 0 DHADHM CC(C)(O)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174405788 1034392095 /nfs/dbraw/zinc/39/20/95/1034392095.db2.gz WCEVNGDGHRGNEI-UHFFFAOYSA-N -1 3 309.369 3.549 20 0 DHADHM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000480736321 1034422856 /nfs/dbraw/zinc/42/28/56/1034422856.db2.gz MCGAIXZREUEWMW-UHFFFAOYSA-N -1 3 308.230 3.628 20 0 DHADHM O=c1cc(Nc2cccc(-c3cc[nH]n3)c2)[n-]n1-c1ccccc1 ZINC001174506828 1034463918 /nfs/dbraw/zinc/46/39/18/1034463918.db2.gz QTIMZJQPKHWGCS-UHFFFAOYSA-N -1 3 317.352 3.712 20 0 DHADHM CC(C)(O)c1cncc(Nc2cccc([O-])c2Br)c1 ZINC001174595879 1034494722 /nfs/dbraw/zinc/49/47/22/1034494722.db2.gz WKWNAAAVSRGDEM-UHFFFAOYSA-N -1 3 323.190 3.521 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174524552 1034483795 /nfs/dbraw/zinc/48/37/95/1034483795.db2.gz CVTXZQQDYPTRNJ-UHFFFAOYSA-N -1 3 307.300 3.555 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(Cl)c(F)c2)CC)n1 ZINC000865224384 1034553976 /nfs/dbraw/zinc/55/39/76/1034553976.db2.gz QNXINORHMIZXAN-IZZDOVSWSA-N -1 3 321.783 3.861 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186280070 1034616093 /nfs/dbraw/zinc/61/60/93/1034616093.db2.gz AWEAYNTVRODASL-GFCCVEGCSA-N -1 3 309.365 3.749 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(F)cc2C)CC)n1 ZINC000899371713 1034619318 /nfs/dbraw/zinc/61/93/18/1034619318.db2.gz JOUZIJPVDNTRBI-XYOKQWHBSA-N -1 3 301.365 3.928 20 0 DHADHM CCOc1c(Cl)cc(C=Cc2nc(C)cc(=O)[n-]2)cc1OC ZINC000555463025 1034723035 /nfs/dbraw/zinc/72/30/35/1034723035.db2.gz VZJSKBOOECATLX-WAYWQWQTSA-N -1 3 320.776 3.722 20 0 DHADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H](c2ccccc2)O1 ZINC000350698316 1034747048 /nfs/dbraw/zinc/74/70/48/1034747048.db2.gz CVPKNCCGDAWZRS-PXAZEXFGSA-N -1 3 319.351 3.632 20 0 DHADHM COc1cnc2c(cccc2Nc2c(F)cc([O-])cc2F)c1 ZINC001175099354 1034779051 /nfs/dbraw/zinc/77/90/51/1034779051.db2.gz BTKLYHNTVCLINU-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COC(Cc1ccccc1Nc1c(F)cc([O-])cc1F)OC ZINC001175099997 1034781024 /nfs/dbraw/zinc/78/10/24/1034781024.db2.gz LVZXFMRGVUMGTK-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM CCOC(=O)CCc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175099764 1034782195 /nfs/dbraw/zinc/78/21/95/1034782195.db2.gz RUVUMLNVZMHZEV-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM O=C1c2cccc(Nc3c(F)cc([O-])cc3F)c2CN1C1CC1 ZINC001175101989 1034784645 /nfs/dbraw/zinc/78/46/45/1034784645.db2.gz BZJSJLYJEKFKPQ-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM C[C@H](CC1CCCCC1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000192557051 1034808620 /nfs/dbraw/zinc/80/86/20/1034808620.db2.gz MLLUBIJHLRUIKB-CYBMUJFWSA-N -1 3 312.413 3.617 20 0 DHADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000192724886 1034815234 /nfs/dbraw/zinc/81/52/34/1034815234.db2.gz ZMRIEFXFBFIDKB-SMDDNHRTSA-N -1 3 305.809 3.946 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000192725076 1034815717 /nfs/dbraw/zinc/81/57/17/1034815717.db2.gz LLKKNUZDMSXFPS-KGLIPLIRSA-N -1 3 315.417 3.690 20 0 DHADHM CC(C)OC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001175258230 1034908645 /nfs/dbraw/zinc/90/86/45/1034908645.db2.gz XDARHTVICRENNF-UHFFFAOYSA-N -1 3 303.362 3.676 20 0 DHADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1c(F)ccc([O-])c1F ZINC001175263287 1034911405 /nfs/dbraw/zinc/91/14/05/1034911405.db2.gz ILTFGXDQIPYGCP-UHFFFAOYSA-N -1 3 306.190 3.533 20 0 DHADHM [O-]c1ccc(F)c(Nc2cncc(OC(F)(F)F)c2)c1F ZINC001175264822 1034914709 /nfs/dbraw/zinc/91/47/09/1034914709.db2.gz IKWBLGSWQITREO-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM COc1nc(Nc2c(F)ccc([O-])c2F)cc2ccccc21 ZINC001175266753 1034914829 /nfs/dbraw/zinc/91/48/29/1034914829.db2.gz ZHDFBPWVEBVTOJ-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2-c2ccccc2F)c1F ZINC001175265248 1034914850 /nfs/dbraw/zinc/91/48/50/1034914850.db2.gz FFYKQBUFOTVRKU-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccc(Cn3cccn3)c2)c1F ZINC001175268206 1034914963 /nfs/dbraw/zinc/91/49/63/1034914963.db2.gz KAMBBZOQOPEUKW-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM COC(=O)[C@H](C)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269843 1034915990 /nfs/dbraw/zinc/91/59/90/1034915990.db2.gz NXFDKMPDWLBIOM-SECBINFHSA-N -1 3 307.296 3.691 20 0 DHADHM C[C@H]1Cc2cc(Nc3c(F)ccc([O-])c3F)ccc2N(C)C1=O ZINC001175270890 1034916494 /nfs/dbraw/zinc/91/64/94/1034916494.db2.gz NCVIAAKZUNTIOL-VIFPVBQESA-N -1 3 318.323 3.569 20 0 DHADHM [O-]c1cccnc1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000555874282 1034943423 /nfs/dbraw/zinc/94/34/23/1034943423.db2.gz QWYSIVBIGRTDSN-UHFFFAOYSA-N -1 3 324.365 3.611 20 0 DHADHM O=c1ccn(-c2ccc(Nc3ccc(-n4cccn4)cc3)cc2)[n-]1 ZINC001175374560 1034957936 /nfs/dbraw/zinc/95/79/36/1034957936.db2.gz OCKFLKIHVPPECL-UHFFFAOYSA-N -1 3 317.352 3.507 20 0 DHADHM Cc1cc(C(F)(F)F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429221 1034978648 /nfs/dbraw/zinc/97/86/48/1034978648.db2.gz RYQNWXBJORSJMR-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Cc1ccc(C(F)(F)F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430274 1034980157 /nfs/dbraw/zinc/98/01/57/1034980157.db2.gz NOFYQWUYKGAJIG-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Clc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001175430222 1034980373 /nfs/dbraw/zinc/98/03/73/1034980373.db2.gz LCBNPJSBLRESNO-UHFFFAOYSA-N -1 3 306.156 3.917 20 0 DHADHM [O-]c1cc(Cl)cnc1N=C1CCN(Cc2ccccc2)CC1 ZINC001175505203 1035013326 /nfs/dbraw/zinc/01/33/26/1035013326.db2.gz RHNDULKWYXYEBS-UHFFFAOYSA-N -1 3 315.804 3.642 20 0 DHADHM O=c1cc(Nc2ccc3ccncc3c2)[n-]n1-c1ccccc1 ZINC001175701590 1035072864 /nfs/dbraw/zinc/07/28/64/1035072864.db2.gz NFGJHPVBLUILPW-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM COc1cc(Nc2cc(Cl)c([O-])cc2Cl)c(F)cn1 ZINC001175691983 1035086530 /nfs/dbraw/zinc/08/65/30/1035086530.db2.gz KPKKTLFBQOXUHF-UHFFFAOYSA-N -1 3 303.120 3.985 20 0 DHADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H]1CCCC[C@H]1C ZINC000668023745 1035092601 /nfs/dbraw/zinc/09/26/01/1035092601.db2.gz NLFXOLMVIRENSN-MLGOLLRUSA-N -1 3 303.402 3.636 20 0 DHADHM O=c1cc(Nc2ccc(-c3ccccc3)nc2)nc(C2CC2)[n-]1 ZINC001175832405 1035126642 /nfs/dbraw/zinc/12/66/42/1035126642.db2.gz ATGGIPHNHOAULW-UHFFFAOYSA-N -1 3 304.353 3.865 20 0 DHADHM CCCn1nc(C)cc1Nc1cccc([O-])c1Br ZINC001175806749 1035133164 /nfs/dbraw/zinc/13/31/64/1035133164.db2.gz BNOIETSEBLZZDT-UHFFFAOYSA-N -1 3 310.195 3.813 20 0 DHADHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1F ZINC001176094555 1035195031 /nfs/dbraw/zinc/19/50/31/1035195031.db2.gz KDOZEZFPKMKOJE-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2cc(O)ccc2Cl)c([O-])c1 ZINC001176151146 1035201920 /nfs/dbraw/zinc/20/19/20/1035201920.db2.gz KDPRYBPZIJPNFE-UHFFFAOYSA-N -1 3 319.788 3.805 20 0 DHADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)cc1F ZINC001176107560 1035205132 /nfs/dbraw/zinc/20/51/32/1035205132.db2.gz PASCKSODCSFOIJ-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM COCOc1ccc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001176186965 1035215659 /nfs/dbraw/zinc/21/56/59/1035215659.db2.gz JAEMMMPRULAZEA-UHFFFAOYSA-N -1 3 320.345 3.867 20 0 DHADHM [O-]c1cc(Nc2cnn(Cc3cccs3)c2)c(F)cc1F ZINC001176160821 1035220835 /nfs/dbraw/zinc/22/08/35/1035220835.db2.gz CHQISWDYVUFKEN-UHFFFAOYSA-N -1 3 307.325 3.720 20 0 DHADHM CCc1cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)ccc1Cl ZINC001176392367 1035254767 /nfs/dbraw/zinc/25/47/67/1035254767.db2.gz AQUDONSYGLBCIL-UHFFFAOYSA-N -1 3 324.833 3.594 20 0 DHADHM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)c2ccccc2n1 ZINC001176662521 1035317339 /nfs/dbraw/zinc/31/73/39/1035317339.db2.gz PAPGQMGBMNNHKZ-UHFFFAOYSA-N -1 3 304.271 3.832 20 0 DHADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1nc(C)cs1 ZINC000668319345 1035322714 /nfs/dbraw/zinc/32/27/14/1035322714.db2.gz GBYNFEZTAFJSSO-GFCCVEGCSA-N -1 3 322.455 3.760 20 0 DHADHM CCc1ncc(CN[C@H](CC(=O)[O-])c2ccccc2CC)s1 ZINC000904033523 1035347380 /nfs/dbraw/zinc/34/73/80/1035347380.db2.gz TYZJURJPWXSVJQ-OAHLLOKOSA-N -1 3 318.442 3.574 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC000904035642 1035348090 /nfs/dbraw/zinc/34/80/90/1035348090.db2.gz PMKSOIAUPPFPRH-ZIAGYGMSSA-N -1 3 313.353 3.581 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000904035845 1035348213 /nfs/dbraw/zinc/34/82/13/1035348213.db2.gz RORVQYALJYKEES-GHMZBOCLSA-N -1 3 305.761 3.595 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000904035913 1035348288 /nfs/dbraw/zinc/34/82/88/1035348288.db2.gz IWNHINRFJCRDSL-BXKDBHETSA-N -1 3 300.185 3.502 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccccc2OC2CCCC2)C1 ZINC000904035516 1035348500 /nfs/dbraw/zinc/34/85/00/1035348500.db2.gz LQCJLKCPYYMOJB-GDBMZVCRSA-N -1 3 315.413 3.517 20 0 DHADHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(SC)ccc1[O-] ZINC000668394472 1035407958 /nfs/dbraw/zinc/40/79/58/1035407958.db2.gz MUTJPCJTAIQEFX-ZDUSSCGKSA-N -1 3 323.458 3.535 20 0 DHADHM Cc1ccc2c(/C=C/C(=O)Nc3ccc(F)c([O-])c3)c[nH]c2c1 ZINC001178492606 1035432368 /nfs/dbraw/zinc/43/23/68/1035432368.db2.gz TYTOAJGMSBGANF-XVNBXDOJSA-N -1 3 310.328 3.973 20 0 DHADHM Cc1ncc(CN(C)C(=O)c2cc3sccc3c([O-])c2)s1 ZINC000773830447 1035505336 /nfs/dbraw/zinc/50/53/36/1035505336.db2.gz MMPBRWBFACWKTK-UHFFFAOYSA-N -1 3 318.423 3.644 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(F)cc(C)c1Cl ZINC001193311528 1035604982 /nfs/dbraw/zinc/60/49/82/1035604982.db2.gz PQRHLISAIVGVIO-UHFFFAOYSA-N -1 3 321.735 3.948 20 0 DHADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000535421131 1035614361 /nfs/dbraw/zinc/61/43/61/1035614361.db2.gz NDXUTTKPMBVZOC-LLVKDONJSA-N -1 3 319.788 3.872 20 0 DHADHM O=S(=O)([N-][C@@H]1CCCC12CC2)c1c(Cl)cccc1Cl ZINC001193370253 1035619613 /nfs/dbraw/zinc/61/96/13/1035619613.db2.gz QRBNDIAUKWGFDX-LLVKDONJSA-N -1 3 320.241 3.604 20 0 DHADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)c([O-])c1 ZINC001180568842 1035720690 /nfs/dbraw/zinc/72/06/90/1035720690.db2.gz HITSUQAITPVHSC-UHFFFAOYSA-N -1 3 309.337 3.542 20 0 DHADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747455 1035731058 /nfs/dbraw/zinc/73/10/58/1035731058.db2.gz JOZMBDXITOXUPK-WDEREUQCSA-N -1 3 315.335 3.967 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC001193938275 1035764575 /nfs/dbraw/zinc/76/45/75/1035764575.db2.gz NZZMSRUKWCMVPI-MRXNPFEDSA-N -1 3 313.397 3.923 20 0 DHADHM O=C(Cc1ccc(O)cc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000153470928 1035822568 /nfs/dbraw/zinc/82/25/68/1035822568.db2.gz XIMPXOBGBPXGLL-UHFFFAOYSA-N -1 3 312.152 3.586 20 0 DHADHM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001194232690 1035866948 /nfs/dbraw/zinc/86/69/48/1035866948.db2.gz BQAJQUWSSLUXQT-ZDUSSCGKSA-N -1 3 322.257 3.708 20 0 DHADHM CCc1cccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c1[O-] ZINC000539858205 1035905404 /nfs/dbraw/zinc/90/54/04/1035905404.db2.gz XXFDWOQJPAAURX-UHFFFAOYSA-N -1 3 318.442 3.693 20 0 DHADHM CC(C)(C)COC(=O)Nc1c([O-])cccc1Br ZINC001194387058 1035916145 /nfs/dbraw/zinc/91/61/45/1035916145.db2.gz WEEKWXZOWDIDBL-UHFFFAOYSA-N -1 3 302.168 3.749 20 0 DHADHM CC(C)(C)COC(=O)Nc1cc(Br)ccc1[O-] ZINC001194384400 1035916993 /nfs/dbraw/zinc/91/69/93/1035916993.db2.gz ZUOQJILRFUCLTI-UHFFFAOYSA-N -1 3 302.168 3.749 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000540206490 1036014372 /nfs/dbraw/zinc/01/43/72/1036014372.db2.gz RFXAFGGXELCMBD-CVEARBPZSA-N -1 3 319.426 3.593 20 0 DHADHM CCC(CC)COC(=O)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001194723250 1036015484 /nfs/dbraw/zinc/01/54/84/1036015484.db2.gz DBTQDGYVCSAFBU-UHFFFAOYSA-N -1 3 315.797 3.717 20 0 DHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cnc(C(F)(F)F)[n-]1 ZINC001194783015 1036018421 /nfs/dbraw/zinc/01/84/21/1036018421.db2.gz AEPOHUMBVDSYCY-UHFFFAOYSA-N -1 3 313.254 3.697 20 0 DHADHM O=C(Nc1ncccc1[O-])C1c2ccccc2-c2ccccc21 ZINC001181909261 1036041254 /nfs/dbraw/zinc/04/12/54/1036041254.db2.gz ADRNTEZWYOQSDU-UHFFFAOYSA-N -1 3 302.333 3.538 20 0 DHADHM O=C(Cc1ccc2[nH]c3ccccc3c2c1)Nc1ncccc1[O-] ZINC001182065065 1036093635 /nfs/dbraw/zinc/09/36/35/1036093635.db2.gz WEILVYVKUMLRPW-UHFFFAOYSA-N -1 3 317.348 3.603 20 0 DHADHM CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000486078240 1036112216 /nfs/dbraw/zinc/11/22/16/1036112216.db2.gz PRRDBULBCQMXQR-CLTKARDFSA-N -1 3 300.333 3.768 20 0 DHADHM C[C@H](NCc1ccc([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC001182183914 1036117198 /nfs/dbraw/zinc/11/71/98/1036117198.db2.gz KPLUKQQKMYPJKG-ZDUSSCGKSA-N -1 3 311.360 3.568 20 0 DHADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001195072428 1036125680 /nfs/dbraw/zinc/12/56/80/1036125680.db2.gz PDTYJAYMQMHTQI-UHFFFAOYSA-N -1 3 323.490 3.625 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1sccc1C(F)(F)F ZINC001195214933 1036183335 /nfs/dbraw/zinc/18/33/35/1036183335.db2.gz HHPSGSDCNGZMKK-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM [O-]c1ccc(-c2nccnc2C(F)(F)F)c(C(F)(F)F)c1 ZINC001205080250 1036199888 /nfs/dbraw/zinc/19/98/88/1036199888.db2.gz QCNUWEHZUZMSIW-UHFFFAOYSA-N -1 3 308.181 3.887 20 0 DHADHM Cc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc(C)c1Cl ZINC000908007970 1036318926 /nfs/dbraw/zinc/31/89/26/1036318926.db2.gz PMYNYFSBOGZLAQ-UHFFFAOYSA-N -1 3 317.776 3.582 20 0 DHADHM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195754937 1036330946 /nfs/dbraw/zinc/33/09/46/1036330946.db2.gz FCSAQPRZMWSMQN-GFCCVEGCSA-N -1 3 305.399 3.707 20 0 DHADHM CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195754937 1036330963 /nfs/dbraw/zinc/33/09/63/1036330963.db2.gz FCSAQPRZMWSMQN-GFCCVEGCSA-N -1 3 305.399 3.707 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)no1)c1cccc(Cl)c1F ZINC001182541577 1036381607 /nfs/dbraw/zinc/38/16/07/1036381607.db2.gz VVOOOWADBPOVJO-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM O=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1ncccc1[O-] ZINC001182684471 1036422109 /nfs/dbraw/zinc/42/21/09/1036422109.db2.gz DDEQZASJNNAXMY-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM CCCCc1noc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000914891330 1036442408 /nfs/dbraw/zinc/44/24/08/1036442408.db2.gz HXEYMKZBOJJLCV-SECBINFHSA-N -1 3 319.386 3.873 20 0 DHADHM CC(=O)c1ccc(NC(=S)Nc2c([O-])cccc2F)cc1 ZINC001196556606 1036569535 /nfs/dbraw/zinc/56/95/35/1036569535.db2.gz OGWRKIIIDAOZKA-UHFFFAOYSA-N -1 3 304.346 3.543 20 0 DHADHM CC(C)CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183367310 1036584120 /nfs/dbraw/zinc/58/41/20/1036584120.db2.gz DEOYKDXEKMXRIU-UHFFFAOYSA-N -1 3 312.373 3.983 20 0 DHADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(-c3ccsc3)cc1)C2 ZINC001196638589 1036586591 /nfs/dbraw/zinc/58/65/91/1036586591.db2.gz HLJRZZJLDIDUEB-UHFFFAOYSA-N -1 3 323.421 3.735 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c(C)c1 ZINC001196881514 1036630798 /nfs/dbraw/zinc/63/07/98/1036630798.db2.gz XOZPKKCKMVKBDH-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@](F)(c3ccccc3)C2)n1 ZINC001197076761 1036683228 /nfs/dbraw/zinc/68/32/28/1036683228.db2.gz HCIAEUTVTQRQBA-RDTXWAMCSA-N -1 3 315.392 3.512 20 0 DHADHM O=c1cc(NC(=S)Nc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC001197299423 1036728576 /nfs/dbraw/zinc/72/85/76/1036728576.db2.gz CPNZVPAKCMEJRT-UHFFFAOYSA-N -1 3 320.805 3.522 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)c(Cl)c1 ZINC000754723147 1036753489 /nfs/dbraw/zinc/75/34/89/1036753489.db2.gz KBOLKIRAOMIYBF-UHFFFAOYSA-N -1 3 307.752 3.578 20 0 DHADHM C=Cc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197602808 1036816911 /nfs/dbraw/zinc/81/69/11/1036816911.db2.gz GRWUKAOOZHNALP-UHFFFAOYSA-N -1 3 309.337 3.550 20 0 DHADHM COc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000492300529 1036820247 /nfs/dbraw/zinc/82/02/47/1036820247.db2.gz QXFYEXLEAZKQTK-VURMDHGXSA-N -1 3 321.735 3.845 20 0 DHADHM C[C@]12C[C@@H]3C[C@](C(=O)Nc4ncccc4[O-])(C1)C[C@@](C)(C3)C2 ZINC001184494099 1036849943 /nfs/dbraw/zinc/84/99/43/1036849943.db2.gz CTWYZDSOQULCOP-PGMCMWNHSA-N -1 3 300.402 3.722 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)c([O-])c1C ZINC000762693126 1036911938 /nfs/dbraw/zinc/91/19/38/1036911938.db2.gz BXDAUIKWYQDZJB-UHFFFAOYSA-N -1 3 315.369 3.754 20 0 DHADHM [O-]c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1Cl ZINC001198287364 1036990639 /nfs/dbraw/zinc/99/06/39/1036990639.db2.gz IMJGDZJQZRZBMB-UHFFFAOYSA-N -1 3 322.773 3.583 20 0 DHADHM Cn1ncc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)c1Cl ZINC000841499936 1036992108 /nfs/dbraw/zinc/99/21/08/1036992108.db2.gz DIHRUFOKUIYJOU-UHFFFAOYSA-N -1 3 322.821 3.748 20 0 DHADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccn1 ZINC000911143210 1037064859 /nfs/dbraw/zinc/06/48/59/1037064859.db2.gz ZDKALEDQRXGSIQ-OAHLLOKOSA-N -1 3 316.376 3.517 20 0 DHADHM O=S(=O)([N-]c1cnc2ccccc2c1Cl)c1ccsc1 ZINC001185352924 1037108115 /nfs/dbraw/zinc/10/81/15/1037108115.db2.gz XETDCCWJHGQCJO-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc2occc2c1 ZINC001198816095 1037138977 /nfs/dbraw/zinc/13/89/77/1037138977.db2.gz CVJBGLCJOURSPS-UHFFFAOYSA-N -1 3 309.293 3.512 20 0 DHADHM CCCCCC[C@@](C)(CC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850624 1037224770 /nfs/dbraw/zinc/22/47/70/1037224770.db2.gz CCKCOCKENQZXKP-KBXCAEBGSA-N -1 3 321.465 3.818 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2C)c1 ZINC000489441787 1037434938 /nfs/dbraw/zinc/43/49/38/1037434938.db2.gz AFIFZBBNBSAOTH-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ccc(C(F)(F)F)cc2)n1 ZINC000763208715 1037478899 /nfs/dbraw/zinc/47/88/99/1037478899.db2.gz NGQJFFNIQVAPSX-UHFFFAOYSA-N -1 3 314.332 3.943 20 0 DHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC001187137859 1037583025 /nfs/dbraw/zinc/58/30/25/1037583025.db2.gz KMGHSCAWBWCQDJ-MNOVXSKESA-N -1 3 321.895 3.957 20 0 DHADHM CC[C@](C)(NC(=O)c1cc(SC)ccc1[O-])c1nccs1 ZINC000669034450 1037616332 /nfs/dbraw/zinc/61/63/32/1037616332.db2.gz OJAMVOYERXQYJO-HNNXBMFYSA-N -1 3 322.455 3.626 20 0 DHADHM CC[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000916140872 1037690620 /nfs/dbraw/zinc/69/06/20/1037690620.db2.gz CRGZOJSZACEQEQ-LBPRGKRZSA-N -1 3 321.804 3.917 20 0 DHADHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nncc2ccccc21 ZINC000044395038 1037717833 /nfs/dbraw/zinc/71/78/33/1037717833.db2.gz SUTYTQXUEMHRHN-UHFFFAOYSA-N -1 3 317.352 3.664 20 0 DHADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001187746210 1037719017 /nfs/dbraw/zinc/71/90/17/1037719017.db2.gz VSCKREBTYHRZBK-GFCCVEGCSA-N -1 3 319.417 3.910 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000913298469 1037792303 /nfs/dbraw/zinc/79/23/03/1037792303.db2.gz MNGVMPYVYQBEFU-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000913298469 1037792320 /nfs/dbraw/zinc/79/23/20/1037792320.db2.gz MNGVMPYVYQBEFU-SNVBAGLBSA-N -1 3 300.289 3.727 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000913358810 1037824754 /nfs/dbraw/zinc/82/47/54/1037824754.db2.gz SLFGGGMWCGZYIE-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000913358810 1037824789 /nfs/dbraw/zinc/82/47/89/1037824789.db2.gz SLFGGGMWCGZYIE-UHFFFAOYSA-N -1 3 313.405 3.556 20 0 DHADHM O=C(Nc1cccc(Cl)c1F)Nc1ncc([O-])cc1Cl ZINC001188386115 1037883430 /nfs/dbraw/zinc/88/34/30/1037883430.db2.gz PLYIJFKMNFMODL-UHFFFAOYSA-N -1 3 316.119 3.877 20 0 DHADHM COc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c([O-])c1 ZINC000124197019 1037886116 /nfs/dbraw/zinc/88/61/16/1037886116.db2.gz LRLHLCOWJFSMSQ-UHFFFAOYSA-N -1 3 315.369 3.579 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCC(C)C)nc(=O)c2c1C ZINC000005754223 1037939242 /nfs/dbraw/zinc/93/92/42/1037939242.db2.gz MDVDTSPQFYJSPE-JTQLQIEISA-N -1 3 322.430 3.642 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2c3ccccc3oc2C1 ZINC001188646268 1037940638 /nfs/dbraw/zinc/94/06/38/1037940638.db2.gz BZNGKVSNZQBHCE-UHFFFAOYSA-N -1 3 307.349 3.645 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc(Cl)cc2ncoc21 ZINC001188654561 1037944793 /nfs/dbraw/zinc/94/47/93/1037944793.db2.gz CKMOJYGJKPRIBM-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1ccc(F)c(F)c1 ZINC001188658597 1037946609 /nfs/dbraw/zinc/94/66/09/1037946609.db2.gz KDGVTFKBQVLOHN-CQSZACIVSA-N -1 3 305.324 3.860 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC001188619553 1037947450 /nfs/dbraw/zinc/94/74/50/1037947450.db2.gz BUHBJDPURVGMIN-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccc(F)cc1F ZINC001202013005 1037966473 /nfs/dbraw/zinc/96/64/73/1037966473.db2.gz JKJQLRRFAJVUON-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM COC(=O)c1cnc(S[C@@H](C)CCSc2ccccc2)[n-]1 ZINC000187598599 1037980479 /nfs/dbraw/zinc/98/04/79/1037980479.db2.gz NRXYHDWAZRWGLH-NSHDSACASA-N -1 3 322.455 3.859 20 0 DHADHM COC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000187594346 1037981982 /nfs/dbraw/zinc/98/19/82/1037981982.db2.gz NLEQDSRLCOFAPA-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1c(F)cccc1F ZINC001202044121 1037987462 /nfs/dbraw/zinc/98/74/62/1037987462.db2.gz OCDLKFHZCWOALL-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM Cc1ccc(F)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000125999946 1038017359 /nfs/dbraw/zinc/01/73/59/1038017359.db2.gz UANPXJVFDAHZTJ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(F)c1C ZINC001189054116 1038058473 /nfs/dbraw/zinc/05/84/73/1038058473.db2.gz IBVHXZPRDTXGHD-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000156586365 1038143237 /nfs/dbraw/zinc/14/32/37/1038143237.db2.gz BZERQIGYSZPZDO-UHFFFAOYSA-N -1 3 312.156 3.815 20 0 DHADHM CCC(CC)n1nccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000127246151 1038163749 /nfs/dbraw/zinc/16/37/49/1038163749.db2.gz VRZDMGVTUDELIJ-UHFFFAOYSA-N -1 3 307.781 3.856 20 0 DHADHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588923480 1038407132 /nfs/dbraw/zinc/40/71/32/1038407132.db2.gz DAHUAKOSGLGNSK-ZDUSSCGKSA-N -1 3 314.385 3.625 20 0 DHADHM CS[C@@H](C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001151935207 1038437280 /nfs/dbraw/zinc/43/72/80/1038437280.db2.gz AULVYJXLWCDXDU-LBPRGKRZSA-N -1 3 317.410 3.666 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cc(F)ccc1C ZINC001191417297 1038501190 /nfs/dbraw/zinc/50/11/90/1038501190.db2.gz HSPSTAGEWRYJMS-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM Cc1ccc(-c2csc(CN3CCC[C@@H]3CC(=O)[O-])n2)cc1 ZINC000572848283 1038513351 /nfs/dbraw/zinc/51/33/51/1038513351.db2.gz CPBONWNTRCEZSL-CQSZACIVSA-N -1 3 316.426 3.558 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)cc2cnccc21 ZINC001191535941 1038515926 /nfs/dbraw/zinc/51/59/26/1038515926.db2.gz SHJPSIAACBIFST-UHFFFAOYSA-N -1 3 324.833 3.820 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)c(C)c2)c1[O-] ZINC001192391491 1038650938 /nfs/dbraw/zinc/65/09/38/1038650938.db2.gz INFHXQBWNODKGN-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc([O-])c(F)c1 ZINC000157188420 1038652514 /nfs/dbraw/zinc/65/25/14/1038652514.db2.gz JLNGQXZRIUWKLL-NTUHNPAUSA-N -1 3 317.703 3.529 20 0 DHADHM CC(C)c1noc([C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000573191097 1038820212 /nfs/dbraw/zinc/82/02/12/1038820212.db2.gz DJYBKZILLPRTPH-SECBINFHSA-N -1 3 320.418 3.560 20 0 DHADHM [O-]c1cccnc1CN1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000573645642 1039029766 /nfs/dbraw/zinc/02/97/66/1039029766.db2.gz RUGCZDSCTHQUDM-INIZCTEOSA-N -1 3 306.768 3.511 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000573807843 1039074563 /nfs/dbraw/zinc/07/45/63/1039074563.db2.gz CJNDLDXGVWFNKT-UGSOOPFHSA-N -1 3 314.385 3.589 20 0 DHADHM COC(=O)c1oc(C(=O)[N-]c2c(C)cccc2SC)cc1C ZINC000599777460 1039303368 /nfs/dbraw/zinc/30/33/68/1039303368.db2.gz ZPOWTDJGIINLSW-UHFFFAOYSA-N -1 3 319.382 3.657 20 0 DHADHM CCCC[C@@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669475309 1039421337 /nfs/dbraw/zinc/42/13/37/1039421337.db2.gz SRFDARAPSMDGIR-LLVKDONJSA-N -1 3 321.751 3.674 20 0 DHADHM O=C(OCCCOc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000058668941 1039457440 /nfs/dbraw/zinc/45/74/40/1039457440.db2.gz PYEJFLTZKGDGJR-UHFFFAOYSA-N -1 3 306.745 3.672 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)c1C ZINC000604970953 1039585864 /nfs/dbraw/zinc/58/58/64/1039585864.db2.gz DDFJKQJHVNNDCK-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cc(Nc2cc(Br)cc(F)c2[O-])cnc1F ZINC001212190648 1039672124 /nfs/dbraw/zinc/67/21/24/1039672124.db2.gz KUZLDIGATRBXQE-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(C)cc1 ZINC000606364999 1039847287 /nfs/dbraw/zinc/84/72/87/1039847287.db2.gz FEERXTARZXMUTO-CYBMUJFWSA-N -1 3 324.384 3.896 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536993 1039921077 /nfs/dbraw/zinc/92/10/77/1039921077.db2.gz PQZLLBYWAPPESH-UHFFFAOYSA-N -1 3 317.291 3.655 20 0 DHADHM CCCCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536673 1039922330 /nfs/dbraw/zinc/92/23/30/1039922330.db2.gz PKRZHKWKTOZSIC-UHFFFAOYSA-N -1 3 301.361 3.804 20 0 DHADHM CCC1CCC(N(C)C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606720488 1039962664 /nfs/dbraw/zinc/96/26/64/1039962664.db2.gz RLJFMTWXXICUKR-UHFFFAOYSA-N -1 3 308.397 3.642 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1[O-] ZINC000646215775 1040014658 /nfs/dbraw/zinc/01/46/58/1040014658.db2.gz YAXQWEFODHEBQG-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM C[C@@H]1CC=C(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000455992166 1040679666 /nfs/dbraw/zinc/67/96/66/1040679666.db2.gz PJTKQOQGYGNAMI-SNVBAGLBSA-N -1 3 324.218 3.517 20 0 DHADHM CC[C@@H](C)Oc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000601563468 1040689253 /nfs/dbraw/zinc/68/92/53/1040689253.db2.gz ITAJGUHZXIMUNM-LLVKDONJSA-N -1 3 312.344 3.907 20 0 DHADHM O=C(CCCC1CCCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000641893747 1040718318 /nfs/dbraw/zinc/71/83/18/1040718318.db2.gz DBYRPISHTMLCKG-UHFFFAOYSA-N -1 3 302.378 3.754 20 0 DHADHM O=C(Cc1csc2ccccc12)Nc1cccc([O-])c1F ZINC000534209055 1040746975 /nfs/dbraw/zinc/74/69/75/1040746975.db2.gz JBWVZVCWJHQFPN-UHFFFAOYSA-N -1 3 301.342 3.927 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCCC2 ZINC000457163382 1041036983 /nfs/dbraw/zinc/03/69/83/1041036983.db2.gz KAWQJRUSFTYSFN-SFHVURJKSA-N -1 3 324.424 3.569 20 0 DHADHM Cc1ccc(Br)cc1CNCc1cc([O-])cc(F)c1 ZINC000190294931 334927696 /nfs/dbraw/zinc/92/76/96/334927696.db2.gz XHFBTSKVFSFSEI-UHFFFAOYSA-N -1 3 324.193 3.892 20 0 DHADHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1cccc(F)c1F ZINC000563715582 334936259 /nfs/dbraw/zinc/93/62/59/334936259.db2.gz LNUXYOABCQMLLU-UHFFFAOYSA-N -1 3 324.327 3.829 20 0 DHADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc([O-])ccc1C(F)(F)F ZINC000424911681 334937219 /nfs/dbraw/zinc/93/72/19/334937219.db2.gz ZGMOYENCGUZRGN-JQWIXIFHSA-N -1 3 313.319 3.577 20 0 DHADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000520124842 334965328 /nfs/dbraw/zinc/96/53/28/334965328.db2.gz IMRZOLRZVBRBIK-VIFPVBQESA-N -1 3 310.246 3.850 20 0 DHADHM O=C([O-])C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000003747642 181044844 /nfs/dbraw/zinc/04/48/44/181044844.db2.gz VHHPNELKVATLRV-UHFFFAOYSA-N -1 3 311.381 3.776 20 0 DHADHM C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187046057 200052430 /nfs/dbraw/zinc/05/24/30/200052430.db2.gz PZMFZKTWXPMRRB-CQSZACIVSA-N -1 3 323.392 3.638 20 0 DHADHM Cc1cccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000417600799 335003117 /nfs/dbraw/zinc/00/31/17/335003117.db2.gz KCAOSSSPRZOBBC-MRXNPFEDSA-N -1 3 301.361 3.830 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC000417616313 335009419 /nfs/dbraw/zinc/00/94/19/335009419.db2.gz HDLFMKOKTHKDEX-OLZOCXBDSA-N -1 3 315.344 3.513 20 0 DHADHM C[C@@H](CNCc1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000417625114 335015403 /nfs/dbraw/zinc/01/54/03/335015403.db2.gz RABMUPIURYXKMB-MRVPVSSYSA-N -1 3 309.715 3.559 20 0 DHADHM O=C([O-])[C@@H](CC1CC1)NCc1cc(C(F)(F)F)ccc1Cl ZINC000417623977 335017978 /nfs/dbraw/zinc/01/79/78/335017978.db2.gz NXHHDWGTLVBHIT-GFCCVEGCSA-N -1 3 321.726 3.702 20 0 DHADHM CC(C)C[C@@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000417629526 335018626 /nfs/dbraw/zinc/01/86/26/335018626.db2.gz QLHQLBRAWRDXSZ-AWEZNQCLSA-N -1 3 318.442 3.647 20 0 DHADHM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000016089085 182032595 /nfs/dbraw/zinc/03/25/95/182032595.db2.gz PUQQIAJMIQTZOP-UHFFFAOYSA-N -1 3 308.230 3.604 20 0 DHADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000016101251 182034056 /nfs/dbraw/zinc/03/40/56/182034056.db2.gz XHVRYZUSKUJERW-UHFFFAOYSA-N -1 3 315.438 3.847 20 0 DHADHM COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000019232559 182110117 /nfs/dbraw/zinc/11/01/17/182110117.db2.gz QBZQKNSYANHQMV-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM C[C@@H]([C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417640996 335025740 /nfs/dbraw/zinc/02/57/40/335025740.db2.gz OAFPBNUDZCXGBH-SJKOYZFVSA-N -1 3 315.369 3.661 20 0 DHADHM CCc1cccc(F)c1CNCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417660768 335032322 /nfs/dbraw/zinc/03/23/22/335032322.db2.gz QXZBHXLQHDYSMD-NSHDSACASA-N -1 3 321.314 3.521 20 0 DHADHM Cc1cc(CNCc2ccc(OC(C)C)cc2)ccc1C(=O)[O-] ZINC000417667460 335035288 /nfs/dbraw/zinc/03/52/88/335035288.db2.gz IEJRUHCHKUEFIZ-UHFFFAOYSA-N -1 3 313.397 3.770 20 0 DHADHM COc1ccc(S[C@H](C)C(=O)Nc2ccccc2[O-])cc1 ZINC000048345629 183648804 /nfs/dbraw/zinc/64/88/04/183648804.db2.gz HDDRJWKIZSHLRT-LLVKDONJSA-N -1 3 303.383 3.520 20 0 DHADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000052781565 183871700 /nfs/dbraw/zinc/87/17/00/183871700.db2.gz LOBDYNHSJJLNFY-UHFFFAOYSA-N -1 3 319.364 3.696 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([O-])c(C)c2)s1 ZINC000272385217 130025738 /nfs/dbraw/zinc/02/57/38/130025738.db2.gz GBPUZQURUIUYMA-NSHDSACASA-N -1 3 304.415 3.607 20 0 DHADHM Cc1ccc(C(F)(F)C(=O)[N-]Cc2nc(C3CC3)cs2)cc1 ZINC000272705270 130055635 /nfs/dbraw/zinc/05/56/35/130055635.db2.gz VVIKMLLFSAIQMZ-UHFFFAOYSA-N -1 3 322.380 3.737 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000274402380 130232126 /nfs/dbraw/zinc/23/21/26/130232126.db2.gz GAUUKXIARWONCY-QGZVFWFLSA-N -1 3 301.361 3.707 20 0 DHADHM CC(C)C1(C)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000275301219 130302720 /nfs/dbraw/zinc/30/27/20/130302720.db2.gz WUKZCDJNEDBATP-UHFFFAOYSA-N -1 3 312.413 3.839 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000276982884 130567974 /nfs/dbraw/zinc/56/79/74/130567974.db2.gz ISGYMKKYPAYASL-UHFFFAOYSA-N -1 3 323.339 3.959 20 0 DHADHM Cc1nc2cc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)ccc2o1 ZINC000280373677 130798631 /nfs/dbraw/zinc/79/86/31/130798631.db2.gz SRCDMPVDEAJGOZ-NSHDSACASA-N -1 3 322.364 3.996 20 0 DHADHM CCOC1CC2(C1)CCN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC000286738120 131248385 /nfs/dbraw/zinc/24/83/85/131248385.db2.gz QOXXMAUVYZOBFP-UHFFFAOYSA-N -1 3 317.429 3.547 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000287095490 131263452 /nfs/dbraw/zinc/26/34/52/131263452.db2.gz XLZVADQAKQSLLJ-SMDDNHRTSA-N -1 3 303.431 3.696 20 0 DHADHM Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])o1 ZINC000340314582 131382046 /nfs/dbraw/zinc/38/20/46/131382046.db2.gz HYPVDSWPPKXLLK-UHFFFAOYSA-N -1 3 313.275 3.884 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)[N-]OC[C@H](C)CC)c1C ZINC000292715798 131670458 /nfs/dbraw/zinc/67/04/58/131670458.db2.gz UFZJEVHHFAAQGE-GFCCVEGCSA-N -1 3 321.421 3.833 20 0 DHADHM CCOc1cc(CN2CCC(F)(F)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000297433563 132014809 /nfs/dbraw/zinc/01/48/09/132014809.db2.gz NNMZJZHZMRGYPE-JTQLQIEISA-N -1 3 319.779 3.921 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297719340 132030831 /nfs/dbraw/zinc/03/08/31/132030831.db2.gz INMLSLGIDAMDOV-SSDOTTSWSA-N -1 3 306.193 3.675 20 0 DHADHM [O-]C(=NOCC1CC1)Nc1cccnc1-c1ccc(Cl)s1 ZINC000297924024 132040553 /nfs/dbraw/zinc/04/05/53/132040553.db2.gz VAHVRSBWKVOTIT-UHFFFAOYSA-N -1 3 323.805 3.927 20 0 DHADHM O=C([N-]OCC1CC1)Nc1cccnc1-c1ccc(Cl)s1 ZINC000297924024 132040555 /nfs/dbraw/zinc/04/05/55/132040555.db2.gz VAHVRSBWKVOTIT-UHFFFAOYSA-N -1 3 323.805 3.927 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(Cl)cc1Cl ZINC000417702758 335065986 /nfs/dbraw/zinc/06/59/86/335065986.db2.gz LBEATCCFEXEVQE-CYBMUJFWSA-N -1 3 302.201 3.726 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[O-] ZINC000190739807 335087739 /nfs/dbraw/zinc/08/77/39/335087739.db2.gz SJTBLGBXORVZMN-GFCCVEGCSA-N -1 3 315.335 3.751 20 0 DHADHM CCNc1ncc(C(=O)[N-]c2c(OC)cccc2SC)s1 ZINC000627780966 429955572 /nfs/dbraw/zinc/95/55/72/429955572.db2.gz DLNXBBIUVVGUSU-UHFFFAOYSA-N -1 3 323.443 3.558 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(Cl)c1 ZINC000468553561 335090209 /nfs/dbraw/zinc/09/02/09/335090209.db2.gz LOPJLPAIXJRLPB-UHFFFAOYSA-N -1 3 321.779 3.824 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc3cccc(F)c3o2)s1 ZINC000607803924 435347910 /nfs/dbraw/zinc/34/79/10/435347910.db2.gz XPDXFTNDCAQYHM-UHFFFAOYSA-N -1 3 319.361 3.973 20 0 DHADHM COc1ccc(-c2noc([N-][C@H](C)c3cnc(C)s3)n2)cc1 ZINC000631473554 435401976 /nfs/dbraw/zinc/40/19/76/435401976.db2.gz ZXJYUPVOBHLPGR-SECBINFHSA-N -1 3 316.386 3.683 20 0 DHADHM Cc1nnc([N-][C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)o1 ZINC000631497803 435402697 /nfs/dbraw/zinc/40/26/97/435402697.db2.gz PUUHBIXXEHVJTJ-RXMQYKEDSA-N -1 3 312.160 3.734 20 0 DHADHM Cc1nnc([N-][C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)o1 ZINC000631497804 435402708 /nfs/dbraw/zinc/40/27/08/435402708.db2.gz PUUHBIXXEHVJTJ-YFKPBYRVSA-N -1 3 312.160 3.734 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[O-] ZINC000570906716 332839521 /nfs/dbraw/zinc/83/95/21/332839521.db2.gz DSHKPWJEMPACIQ-NUTKFTJISA-N -1 3 315.413 3.636 20 0 DHADHM COc1cccc(-c2nc(-c3ccc(F)c(C)c3)no2)c1[O-] ZINC000109037523 331504464 /nfs/dbraw/zinc/50/44/64/331504464.db2.gz FLDMMZPVHHQGDX-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccccc3C)C2)c1[O-] ZINC000530955446 331666530 /nfs/dbraw/zinc/66/65/30/331666530.db2.gz LGISOZIPASHYQN-INIZCTEOSA-N -1 3 309.409 3.893 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(F)c(C)c2)c1[O-] ZINC000556891527 331749632 /nfs/dbraw/zinc/74/96/32/331749632.db2.gz CCPRNVWXCGATGY-UHFFFAOYSA-N -1 3 301.317 3.603 20 0 DHADHM CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000176166857 332926005 /nfs/dbraw/zinc/92/60/05/332926005.db2.gz HKUKSXQSIUATSX-GFCCVEGCSA-N -1 3 317.360 3.639 20 0 DHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=CC(C)(C)C)cc2)n1 ZINC000255591414 331776794 /nfs/dbraw/zinc/77/67/94/331776794.db2.gz XFFWPQLYRWALQC-KTKRTIGZSA-N -1 3 311.385 3.698 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)c1 ZINC000557737395 331812795 /nfs/dbraw/zinc/81/27/95/331812795.db2.gz WMOOYTDXILXRRI-SUMWQHHRSA-N -1 3 311.381 3.624 20 0 DHADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000518445256 332043964 /nfs/dbraw/zinc/04/39/64/332043964.db2.gz FVJSQQMGACANLY-INIZCTEOSA-N -1 3 301.773 3.927 20 0 DHADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091822937 332112753 /nfs/dbraw/zinc/11/27/53/332112753.db2.gz UHXYHUWWNFEGCC-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM COc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1Cl ZINC000182953807 332147895 /nfs/dbraw/zinc/14/78/95/332147895.db2.gz TZRJYMWYXIZGIQ-UHFFFAOYSA-N -1 3 317.772 3.647 20 0 DHADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426803799 332155411 /nfs/dbraw/zinc/15/54/11/332155411.db2.gz PJGRJKDLGDHNJL-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc3ncccc3c2)C(=O)[O-])cc1 ZINC000426803321 332155460 /nfs/dbraw/zinc/15/54/60/332155460.db2.gz LTEABUVIAVTTNQ-LJQANCHMSA-N -1 3 320.392 3.713 20 0 DHADHM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426806459 332155614 /nfs/dbraw/zinc/15/56/14/332155614.db2.gz JSWBCZDUAZNPLL-QGZVFWFLSA-N -1 3 317.360 3.530 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000426821620 332158006 /nfs/dbraw/zinc/15/80/06/332158006.db2.gz VHZTXXJUAJHYSM-QGZVFWFLSA-N -1 3 312.344 3.613 20 0 DHADHM C[C@@H]1CC[C@H](C)N(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000569611620 332205594 /nfs/dbraw/zinc/20/55/94/332205594.db2.gz ITBRTTOOBAZHLU-OLZOCXBDSA-N -1 3 314.385 3.660 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1[O-] ZINC000584285395 332212860 /nfs/dbraw/zinc/21/28/60/332212860.db2.gz CBXWXRQUSLGHSS-UHFFFAOYSA-N -1 3 309.365 3.862 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCc3c2cccc3C(F)(F)F)c1 ZINC000185942078 332274763 /nfs/dbraw/zinc/27/47/63/332274763.db2.gz NLFGAXXIDONTIH-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM CC(=O)c1cc(-c2nc(-c3ccc([O-])c(C)c3)no2)cs1 ZINC000559979729 332299052 /nfs/dbraw/zinc/29/90/52/332299052.db2.gz PKUQVUMCUDIKSH-UHFFFAOYSA-N -1 3 300.339 3.682 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](O)C3)n2)c2ccccc12 ZINC000560087656 332310288 /nfs/dbraw/zinc/31/02/88/332310288.db2.gz YLCIIPUXLISQDP-RYUDHWBXSA-N -1 3 310.353 3.614 20 0 DHADHM CCc1nc(C(C)C)ccc1C(=O)Nc1cccc([O-])c1F ZINC000560343298 332332290 /nfs/dbraw/zinc/33/22/90/332332290.db2.gz FARQQGCAJOEZTG-UHFFFAOYSA-N -1 3 302.349 3.864 20 0 DHADHM CS[C@@H](C)CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000358707695 332334164 /nfs/dbraw/zinc/33/41/64/332334164.db2.gz WCPVUGALSWSYDY-QMMMGPOBSA-N -1 3 318.236 3.625 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(F)cc2Cl)c1[O-] ZINC000560551074 332358074 /nfs/dbraw/zinc/35/80/74/332358074.db2.gz RFJGIMWICBAPJZ-UHFFFAOYSA-N -1 3 321.735 3.948 20 0 DHADHM Cc1ccc(C[C@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000583386537 332379714 /nfs/dbraw/zinc/37/97/14/332379714.db2.gz AVLNFXOQMCEZJJ-MRXNPFEDSA-N -1 3 313.397 3.741 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H](C)Cc1ccsc1 ZINC000574578210 332394763 /nfs/dbraw/zinc/39/47/63/332394763.db2.gz NELHLZJGRCKROF-NSHDSACASA-N -1 3 307.415 3.801 20 0 DHADHM CCOc1cc(CN2C[C@H](C)S[C@@H](C)C2)cc(Cl)c1[O-] ZINC000562679138 332616283 /nfs/dbraw/zinc/61/62/83/332616283.db2.gz NFPDBVGYJJGMFA-QWRGUYRKSA-N -1 3 315.866 3.770 20 0 DHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180020405 333026549 /nfs/dbraw/zinc/02/65/49/333026549.db2.gz FQARQZGWXIEBCY-UHFFFAOYSA-N -1 3 321.373 3.528 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000580243610 333039505 /nfs/dbraw/zinc/03/95/05/333039505.db2.gz ZTVFLKOAZBFNPE-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM CCOc1cc(C)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182138470 333149311 /nfs/dbraw/zinc/14/93/11/333149311.db2.gz GWHCMLSIARJEHY-UHFFFAOYSA-N -1 3 319.788 3.934 20 0 DHADHM CC(C)(C)Oc1ccccc1NC([O-])=NOCc1cccnc1 ZINC000185493041 333209370 /nfs/dbraw/zinc/20/93/70/333209370.db2.gz FXLAVXHJUUJIPS-UHFFFAOYSA-N -1 3 315.373 3.512 20 0 DHADHM CC(C)(C)Oc1ccccc1NC(=O)[N-]OCc1cccnc1 ZINC000185493041 333209371 /nfs/dbraw/zinc/20/93/71/333209371.db2.gz FXLAVXHJUUJIPS-UHFFFAOYSA-N -1 3 315.373 3.512 20 0 DHADHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000582110092 333253487 /nfs/dbraw/zinc/25/34/87/333253487.db2.gz ALFYZVSKYNIOQA-MRVPVSSYSA-N -1 3 321.826 3.581 20 0 DHADHM CC[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000565308899 333264448 /nfs/dbraw/zinc/26/44/48/333264448.db2.gz DLRBXWSVNYJCIF-GFCCVEGCSA-N -1 3 311.809 3.539 20 0 DHADHM CC[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000565308902 333264586 /nfs/dbraw/zinc/26/45/86/333264586.db2.gz DLRBXWSVNYJCIF-LBPRGKRZSA-N -1 3 311.809 3.539 20 0 DHADHM CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000497772321 333289012 /nfs/dbraw/zinc/28/90/12/333289012.db2.gz BZNONXOFPFBYGE-UHFFFAOYSA-N -1 3 322.257 3.995 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(F)c1 ZINC000498034575 333323368 /nfs/dbraw/zinc/32/33/68/333323368.db2.gz UWRMXCHFELGTSQ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3ccc(O)cc32)c1[O-] ZINC000184060344 333338081 /nfs/dbraw/zinc/33/80/81/333338081.db2.gz SAQVNNYRYYYRSR-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000184136718 333342479 /nfs/dbraw/zinc/34/24/79/333342479.db2.gz RIPMPFXYFYQWOI-HNNXBMFYSA-N -1 3 307.365 3.997 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000531434740 333352915 /nfs/dbraw/zinc/35/29/15/333352915.db2.gz RMHCSCZNJRLEKD-MRXNPFEDSA-N -1 3 309.409 3.659 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000531463866 333409974 /nfs/dbraw/zinc/40/99/74/333409974.db2.gz IQQBDHPLFAENLF-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM Cc1ccsc1[C@H]1C[C@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580334675 333415911 /nfs/dbraw/zinc/41/59/11/333415911.db2.gz WVXQHLDEVWINGS-WDEREUQCSA-N -1 3 323.381 3.649 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1F ZINC000525822374 333421788 /nfs/dbraw/zinc/42/17/88/333421788.db2.gz QSZOVKPWYJXEOI-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1Cl ZINC000525823223 333422318 /nfs/dbraw/zinc/42/23/18/333422318.db2.gz KXGHNAJUOYQGSD-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C([O-])[C@@H]1CC12CCN(C/C=C/c1ccc(Cl)cc1)CC2 ZINC000563277556 333518538 /nfs/dbraw/zinc/51/85/38/333518538.db2.gz SMKZPNIEBHWIRU-YLSAJCSVSA-N -1 3 305.805 3.540 20 0 DHADHM CCC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000339366135 333521513 /nfs/dbraw/zinc/52/15/13/333521513.db2.gz XGHWEXOEJCWNCF-GFCCVEGCSA-N -1 3 304.777 3.963 20 0 DHADHM CCc1cc(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)ccc1[O-] ZINC000436710519 333989708 /nfs/dbraw/zinc/98/97/08/333989708.db2.gz VJBVYXPLKOAZRN-ZANVPECISA-N -1 3 303.324 3.661 20 0 DHADHM CCOc1cc(-c2noc(-c3occ4c3CCC4)n2)ccc1[O-] ZINC000436872743 334013937 /nfs/dbraw/zinc/01/39/37/334013937.db2.gz NLPRFUUAZNZLFQ-UHFFFAOYSA-N -1 3 312.325 3.590 20 0 DHADHM NC1(c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCCC1 ZINC000414628444 334046764 /nfs/dbraw/zinc/04/67/64/334046764.db2.gz ONLRRJZGLLIQIN-UHFFFAOYSA-N -1 3 308.794 3.661 20 0 DHADHM C[C@H](CN(C)Cc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000414661815 334059989 /nfs/dbraw/zinc/05/99/89/334059989.db2.gz YBRVQIBUXHCDGC-CYBMUJFWSA-N -1 3 301.361 3.645 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@H]4CCC(F)(F)C4)no3)n[n-]2)o1 ZINC000281374114 334125682 /nfs/dbraw/zinc/12/56/82/334125682.db2.gz LWLXXOXURNSADM-VIFPVBQESA-N -1 3 320.299 3.931 20 0 DHADHM Cc1ccc(-c2cc(-c3nc([C@H]4CCC(F)(F)C4)no3)[n-]n2)o1 ZINC000281374114 334125683 /nfs/dbraw/zinc/12/56/83/334125683.db2.gz LWLXXOXURNSADM-VIFPVBQESA-N -1 3 320.299 3.931 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000528667543 334135068 /nfs/dbraw/zinc/13/50/68/334135068.db2.gz JOPFMAGECCBPBB-YGRLFVJLSA-N -1 3 324.218 3.559 20 0 DHADHM O=C([N-]c1cccc2nonc21)c1scnc1C1CCCC1 ZINC000283023919 334138965 /nfs/dbraw/zinc/13/89/65/334138965.db2.gz MLBRWVMOOHYOSO-UHFFFAOYSA-N -1 3 314.370 3.589 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC2(CCC2)C1 ZINC000295080141 334217822 /nfs/dbraw/zinc/21/78/22/334217822.db2.gz IMGZDDPPVVLLDC-UHFFFAOYSA-N -1 3 309.409 3.881 20 0 DHADHM COc1cc(/C=C(\C)c2cnccn2)c(Br)cc1[O-] ZINC000187649501 334266767 /nfs/dbraw/zinc/26/67/67/334266767.db2.gz BNCJNBJDWRKZEG-WEVVVXLNSA-N -1 3 321.174 3.514 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)c([O-])c1C ZINC000048385070 334280356 /nfs/dbraw/zinc/28/03/56/334280356.db2.gz JUSUTEULSRASAN-UHFFFAOYSA-N -1 3 309.818 3.996 20 0 DHADHM Cc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000302994428 334296090 /nfs/dbraw/zinc/29/60/90/334296090.db2.gz WVFTVLLCVIZDJF-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000302935881 334297524 /nfs/dbraw/zinc/29/75/24/334297524.db2.gz IBXUXTWMCSNPDQ-UHFFFAOYSA-N -1 3 309.287 3.982 20 0 DHADHM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000534709918 334331509 /nfs/dbraw/zinc/33/15/09/334331509.db2.gz OUJYUXPGXXXAMT-NSHDSACASA-N -1 3 305.374 3.898 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000534944687 334349909 /nfs/dbraw/zinc/34/99/09/334349909.db2.gz NHJWKLIHDWPFBC-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccccc2Br)no1 ZINC000111689399 334353813 /nfs/dbraw/zinc/35/38/13/334353813.db2.gz YGNMOKYKMXQIDN-UHFFFAOYSA-N -1 3 317.142 3.872 20 0 DHADHM CCc1cccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000532017490 334373215 /nfs/dbraw/zinc/37/32/15/334373215.db2.gz XFZXTPKPCHYVAC-OAHLLOKOSA-N -1 3 317.429 3.566 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCOC2(C1)CCCCCC2 ZINC000343006442 334594322 /nfs/dbraw/zinc/59/43/22/334594322.db2.gz AQYYBODJFMQLSS-UHFFFAOYSA-N -1 3 323.820 3.611 20 0 DHADHM CO[C@@](C)(C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000535419700 334731117 /nfs/dbraw/zinc/73/11/17/334731117.db2.gz IJLRMTKDBPIYTL-QGZVFWFLSA-N -1 3 319.788 3.854 20 0 DHADHM Cc1csc2nc(C)nc(NCc3ccc([O-])c(F)c3)c12 ZINC000125198504 334791573 /nfs/dbraw/zinc/79/15/73/334791573.db2.gz IORKGXLHZGQMHP-UHFFFAOYSA-N -1 3 303.362 3.765 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189736449 334909709 /nfs/dbraw/zinc/90/97/09/334909709.db2.gz VTOURXVJFLCJHA-UHFFFAOYSA-N -1 3 301.820 3.765 20 0 DHADHM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])C1(C)C ZINC000444256947 338470532 /nfs/dbraw/zinc/47/05/32/338470532.db2.gz BPGSLIGUYUBXDW-ONGXEEELSA-N -1 3 309.793 3.626 20 0 DHADHM C[C@@H](c1ccco1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344523505 335255090 /nfs/dbraw/zinc/25/50/90/335255090.db2.gz RZUWTIXHJRBIQB-LBPRGKRZSA-N -1 3 305.349 3.667 20 0 DHADHM CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000344991221 335289770 /nfs/dbraw/zinc/28/97/70/335289770.db2.gz XQQVWVSXRHHXSA-DOTOQJQBSA-N -1 3 320.396 3.572 20 0 DHADHM CCc1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000345541301 335332227 /nfs/dbraw/zinc/33/22/27/335332227.db2.gz HFOAKEVYUUNBSW-UHFFFAOYSA-N -1 3 308.378 3.512 20 0 DHADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(-c3cccnc3)no2)c1 ZINC000345668524 335344617 /nfs/dbraw/zinc/34/46/17/335344617.db2.gz MVJSAHXEKTYTBT-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM Cc1cc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c(C)o1 ZINC000345724948 335346215 /nfs/dbraw/zinc/34/62/15/335346215.db2.gz XCHIYGOLYDLOLF-GFCCVEGCSA-N -1 3 319.376 3.941 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2cccc(Cl)c2)n1 ZINC000345932708 335362067 /nfs/dbraw/zinc/36/20/67/335362067.db2.gz HXBPJHPTCYNDMO-UHFFFAOYSA-N -1 3 304.777 3.665 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 ZINC000345942581 335362767 /nfs/dbraw/zinc/36/27/67/335362767.db2.gz QGYMUODAQQXZQY-HNNXBMFYSA-N -1 3 314.385 3.591 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3cccnc3)cc2)n1 ZINC000345920633 335365376 /nfs/dbraw/zinc/36/53/76/335365376.db2.gz CRVYQCCVGZWIJH-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000346005689 335369131 /nfs/dbraw/zinc/36/91/31/335369131.db2.gz YXMQTBNHEIFOSP-UHFFFAOYSA-N -1 3 318.376 3.866 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCc2ccccc21 ZINC000346150917 335382307 /nfs/dbraw/zinc/38/23/07/335382307.db2.gz NZNURIHDWNFLDZ-INIZCTEOSA-N -1 3 301.773 3.805 20 0 DHADHM Cc1sccc1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000346257036 335395394 /nfs/dbraw/zinc/39/53/94/335395394.db2.gz SQERFBZRLDPGFJ-NSHDSACASA-N -1 3 301.411 3.845 20 0 DHADHM Cc1ncc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000346792447 335435826 /nfs/dbraw/zinc/43/58/26/335435826.db2.gz KRYPXLDDDOLGKX-QMMMGPOBSA-N -1 3 312.200 3.648 20 0 DHADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(-c3cscn3)no2)c1 ZINC000347246178 335478170 /nfs/dbraw/zinc/47/81/70/335478170.db2.gz JPNKKCKKGNLTEE-UHFFFAOYSA-N -1 3 313.260 3.585 20 0 DHADHM Cc1ccc2oc(C(=O)[N-]c3cc(F)cc(F)c3F)cc2n1 ZINC000348116048 335555012 /nfs/dbraw/zinc/55/50/12/335555012.db2.gz AWPUIWCYPOCWID-UHFFFAOYSA-N -1 3 306.243 3.806 20 0 DHADHM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccccc1[O-] ZINC000349726776 335694658 /nfs/dbraw/zinc/69/46/58/335694658.db2.gz GLXICIYQSBWLPM-CYBMUJFWSA-N -1 3 306.365 3.758 20 0 DHADHM CC(C)OCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000535657102 335710250 /nfs/dbraw/zinc/71/02/50/335710250.db2.gz AGLQLAJUZDPUOY-UHFFFAOYSA-N -1 3 303.333 3.709 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1[O-] ZINC000261366928 335825981 /nfs/dbraw/zinc/82/59/81/335825981.db2.gz VMYCDATTWAREFA-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1ccoc1 ZINC000350868775 335843872 /nfs/dbraw/zinc/84/38/72/335843872.db2.gz JAMGYEIYNSFDSV-UHFFFAOYSA-N -1 3 307.705 3.671 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1ncc(F)cc1F ZINC000192266877 336024274 /nfs/dbraw/zinc/02/42/74/336024274.db2.gz MPTRZMQBAJTPCM-UHFFFAOYSA-N -1 3 320.192 3.770 20 0 DHADHM O=c1[n-]c(CN2CCC[C@@H](C3CC3)C2)nc2c3ccccc3oc21 ZINC000329650406 336028390 /nfs/dbraw/zinc/02/83/90/336028390.db2.gz KKPZARSMZDPCLB-CYBMUJFWSA-N -1 3 323.396 3.704 20 0 DHADHM CCCOc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000351568260 336045426 /nfs/dbraw/zinc/04/54/26/336045426.db2.gz MPNBNMZWPNGDAV-UHFFFAOYSA-N -1 3 311.341 3.711 20 0 DHADHM CCCOc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000351568260 336045428 /nfs/dbraw/zinc/04/54/28/336045428.db2.gz MPNBNMZWPNGDAV-UHFFFAOYSA-N -1 3 311.341 3.711 20 0 DHADHM [O-]c1cccc(CN(CCO)[C@@H]2CCc3ccccc32)c1Cl ZINC000351589783 336047442 /nfs/dbraw/zinc/04/74/42/336047442.db2.gz OQKSLFFGSHICFE-MRXNPFEDSA-N -1 3 317.816 3.527 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc(C3CC3)no2)c([O-])c1 ZINC000331445975 336136162 /nfs/dbraw/zinc/13/61/62/336136162.db2.gz DZEHPBCSRGNPDF-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332503378 336173454 /nfs/dbraw/zinc/17/34/54/336173454.db2.gz RUMKWTOJGQIZEB-UHFFFAOYSA-N -1 3 324.424 3.717 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000351983451 336185906 /nfs/dbraw/zinc/18/59/06/336185906.db2.gz SALHKCBEDIQXOC-GFCCVEGCSA-N -1 3 307.315 3.799 20 0 DHADHM CCN(Cc1ccc(OC)c(OC)c1)Cc1cc([O-])cc(F)c1 ZINC000352010755 336188628 /nfs/dbraw/zinc/18/86/28/336188628.db2.gz JBRKILLETRWPNL-UHFFFAOYSA-N -1 3 319.376 3.571 20 0 DHADHM O=c1cc(C=Cc2ccnn2-c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000352029521 336190311 /nfs/dbraw/zinc/19/03/11/336190311.db2.gz ZWFSEXCOTUJYDX-YVMONPNESA-N -1 3 322.343 3.555 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000352034952 336191044 /nfs/dbraw/zinc/19/10/44/336191044.db2.gz JYJXQBITHZRBLU-DAXSKMNVSA-N -1 3 319.364 3.635 20 0 DHADHM C[C@@H](N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1(C)CC1 ZINC000333288985 336201190 /nfs/dbraw/zinc/20/11/90/336201190.db2.gz RBAUCKXAKBVTHG-LLVKDONJSA-N -1 3 311.385 3.702 20 0 DHADHM COc1cccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000352188669 336201409 /nfs/dbraw/zinc/20/14/09/336201409.db2.gz HADRHUJJVNTNIN-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM Cc1sc(CNCc2c(F)ccc([O-])c2F)nc1C(C)C ZINC000352383828 336215586 /nfs/dbraw/zinc/21/55/86/336215586.db2.gz NWIVYVMYTFUCTM-UHFFFAOYSA-N -1 3 312.385 3.849 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2sccc2c1 ZINC000352477361 336221162 /nfs/dbraw/zinc/22/11/62/336221162.db2.gz ZRQRJQOVHFTUQH-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM CCN(CCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000352610344 336226917 /nfs/dbraw/zinc/22/69/17/336226917.db2.gz PCDNOJSDEBOULB-UHFFFAOYSA-N -1 3 303.789 3.750 20 0 DHADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1c(F)ccc([O-])c1F ZINC000352780603 336236084 /nfs/dbraw/zinc/23/60/84/336236084.db2.gz YLEMESCVVNRHMF-UHFFFAOYSA-N -1 3 317.257 3.720 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC000192781297 336261684 /nfs/dbraw/zinc/26/16/84/336261684.db2.gz YZDLXRRLTHOXLZ-WDEREUQCSA-N -1 3 320.462 3.656 20 0 DHADHM O=C(CCc1cccc(F)c1F)Nc1ccc(Cl)cc1[O-] ZINC000532838285 336272736 /nfs/dbraw/zinc/27/27/36/336272736.db2.gz XFIGYIPEMJDDJA-UHFFFAOYSA-N -1 3 311.715 3.895 20 0 DHADHM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192956385 336285914 /nfs/dbraw/zinc/28/59/14/336285914.db2.gz DRTLOVJYYSYQEA-ZDUSSCGKSA-N -1 3 311.381 3.539 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3CC)nc2)n1 ZINC000301713095 336325056 /nfs/dbraw/zinc/32/50/56/336325056.db2.gz ISGUELIRZIRZRY-HNNXBMFYSA-N -1 3 312.417 3.576 20 0 DHADHM CC(C)(C)c1nc([N-][C@@H](c2ccccc2)c2ccccn2)no1 ZINC000302130835 336349868 /nfs/dbraw/zinc/34/98/68/336349868.db2.gz KFSFIUCCJSBDHY-HNNXBMFYSA-N -1 3 308.385 3.964 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccncc1Cl ZINC000353606625 336428212 /nfs/dbraw/zinc/42/82/12/336428212.db2.gz VCHZHCORXMEKDG-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM O=C(C[C@H]1C[C@H]1c1ccccc1)N1CCCc2cccc([O-])c21 ZINC000354421260 336470196 /nfs/dbraw/zinc/47/01/96/336470196.db2.gz CEALEOBZEKRGGE-SJORKVTESA-N -1 3 307.393 3.865 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)ccc1[O-] ZINC000354450857 336471116 /nfs/dbraw/zinc/47/11/16/336471116.db2.gz CMIGHWXSWPOEKJ-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([O-])ccc2Cl)C1 ZINC000354964159 336489238 /nfs/dbraw/zinc/48/92/38/336489238.db2.gz XVDXPKJNQNXLGA-PWSUYJOCSA-N -1 3 313.850 3.792 20 0 DHADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000355166749 336496896 /nfs/dbraw/zinc/49/68/96/336496896.db2.gz GMTKWPIXTOEBNY-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2conc2C2CC2)c([O-])c1 ZINC000356280047 336543897 /nfs/dbraw/zinc/54/38/97/336543897.db2.gz MNCIGXQBTZMKAG-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c1[O-] ZINC000356385237 336548058 /nfs/dbraw/zinc/54/80/58/336548058.db2.gz GAYSJHJSMAWCMJ-CYBMUJFWSA-N -1 3 315.756 3.663 20 0 DHADHM C[C@H]1CC[C@@]2(CCN(C(=O)Cc3ccc([O-])cc3Cl)C2)C1 ZINC000359574625 336678509 /nfs/dbraw/zinc/67/85/09/336678509.db2.gz WMTRTPWUSRIULP-YVEFUNNKSA-N -1 3 307.821 3.627 20 0 DHADHM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc([O-])cc1F ZINC000360862671 336724722 /nfs/dbraw/zinc/72/47/22/336724722.db2.gz ZJFIHGXLDMMVAU-UHFFFAOYSA-N -1 3 317.385 3.751 20 0 DHADHM COc1cccc(C(=O)N2CCC(=Cc3ccccc3)CC2)c1[O-] ZINC000370137848 336878259 /nfs/dbraw/zinc/87/82/59/336878259.db2.gz GYFOCHCBNMQCOA-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(C2CCCC2)CC1 ZINC000371111786 336894575 /nfs/dbraw/zinc/89/45/75/336894575.db2.gz CJAMFXFJEHQXGD-UHFFFAOYSA-N -1 3 324.424 3.571 20 0 DHADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373439547 336960372 /nfs/dbraw/zinc/96/03/72/336960372.db2.gz ADKKQMAHJBJOPP-UKRRQHHQSA-N -1 3 316.426 3.647 20 0 DHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000375077945 337002746 /nfs/dbraw/zinc/00/27/46/337002746.db2.gz GFOXRHBVEYZXGI-GWCFXTLKSA-N -1 3 320.414 3.618 20 0 DHADHM Cc1ccc(-c2nc(C(=O)[N-]c3ccncc3F)cs2)cc1 ZINC000122736312 337022950 /nfs/dbraw/zinc/02/29/50/337022950.db2.gz HOSFUHYSNZUGRK-UHFFFAOYSA-N -1 3 313.357 3.905 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000376047370 337025770 /nfs/dbraw/zinc/02/57/70/337025770.db2.gz ULFZJRJQKCGIHV-CYBMUJFWSA-N -1 3 322.817 3.870 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc([O-])c2F)o1 ZINC000378300387 337069529 /nfs/dbraw/zinc/06/95/29/337069529.db2.gz XIENMNVATPFMAT-RHYQMDGZSA-N -1 3 315.344 3.990 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3c(c2)CCO3)CC)n1 ZINC000193619850 337078664 /nfs/dbraw/zinc/07/86/64/337078664.db2.gz SPJDNMRKVHQTDC-UVTDQMKNSA-N -1 3 310.397 3.608 20 0 DHADHM COc1cccc([C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000193671152 337078958 /nfs/dbraw/zinc/07/89/58/337078958.db2.gz PQBCTBVKXCPDBI-JTQLQIEISA-N -1 3 305.761 3.796 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000582480457 337096391 /nfs/dbraw/zinc/09/63/91/337096391.db2.gz AGOGWBNCHVCZHO-AEJSXWLSSA-N -1 3 310.191 3.529 20 0 DHADHM CCc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)o1 ZINC000173314267 337134529 /nfs/dbraw/zinc/13/45/29/337134529.db2.gz GESMTWSZXIRXSL-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1 ZINC000173355478 337134894 /nfs/dbraw/zinc/13/48/94/337134894.db2.gz GNIOZUIHXHHVAZ-DOMZBBRYSA-N -1 3 315.369 3.607 20 0 DHADHM CC[C@H](CC(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000582769833 337143540 /nfs/dbraw/zinc/14/35/40/337143540.db2.gz NWPQLZHEMOUKCH-SSDOTTSWSA-N -1 3 322.149 3.775 20 0 DHADHM Cc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c(F)cc1F ZINC000176150232 337150554 /nfs/dbraw/zinc/15/05/54/337150554.db2.gz XSZWOVJXHKWGJS-UHFFFAOYSA-N -1 3 311.357 3.576 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000176982161 337154064 /nfs/dbraw/zinc/15/40/64/337154064.db2.gz NDEWJNNRJGBZCK-OAHLLOKOSA-N -1 3 324.405 3.979 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000179475906 337169561 /nfs/dbraw/zinc/16/95/61/337169561.db2.gz SQQCBUYDDSSTSQ-OAHLLOKOSA-N -1 3 311.381 3.508 20 0 DHADHM COc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1OC(F)F ZINC000179547568 337170130 /nfs/dbraw/zinc/17/01/30/337170130.db2.gz SAWARVXOKLJAJX-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CCc1nnc([N-]C(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000180474363 337174929 /nfs/dbraw/zinc/17/49/29/337174929.db2.gz IMKFFFUUGMHDLL-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM C[C@H]1[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])C1(F)F ZINC000461457659 337182624 /nfs/dbraw/zinc/18/26/24/337182624.db2.gz QOQNYQNPAMNIOO-ZBEGNZNMSA-N -1 3 317.335 3.823 20 0 DHADHM C[C@H]1SCCN(C(=O)c2cccc([O-])c2)[C@@H]1c1ccccc1 ZINC000182469470 337186326 /nfs/dbraw/zinc/18/63/26/337186326.db2.gz NGTKSWWEHCTLOR-DYVFJYSZSA-N -1 3 313.422 3.711 20 0 DHADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccc([O-])c2)CC1 ZINC000182513571 337188756 /nfs/dbraw/zinc/18/87/56/337188756.db2.gz GOLDETGTDXKZEX-JFUPDXTOSA-N -1 3 317.429 3.592 20 0 DHADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cccc([O-])c1 ZINC000182992105 337190879 /nfs/dbraw/zinc/19/08/79/337190879.db2.gz KZIBXTUDUALHRW-OAHLLOKOSA-N -1 3 317.772 3.689 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2oc3ccccc3c2C)n1 ZINC000183555363 337192194 /nfs/dbraw/zinc/19/21/94/337192194.db2.gz NEFSYVDNDBHSSB-LBPRGKRZSA-N -1 3 311.385 3.650 20 0 DHADHM [O-]c1cc(F)cc(CNCc2cc(Br)cs2)c1 ZINC000184142909 337196540 /nfs/dbraw/zinc/19/65/40/337196540.db2.gz PEWDDXPYRRMIPC-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM COc1ccccc1C[C@H](C)N(C)Cc1csc(C(=O)[O-])c1 ZINC000583147347 337245985 /nfs/dbraw/zinc/24/59/85/337245985.db2.gz MTUBXCDJLVTPGP-LBPRGKRZSA-N -1 3 319.426 3.518 20 0 DHADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000188851784 337275766 /nfs/dbraw/zinc/27/57/66/337275766.db2.gz TVMXIUBUXWJKHV-AOOOYVTPSA-N -1 3 301.308 3.529 20 0 DHADHM CCOc1ccccc1-c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000321644066 337281064 /nfs/dbraw/zinc/28/10/64/337281064.db2.gz YRESSIMUFVURTB-UHFFFAOYSA-N -1 3 312.325 3.517 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000189695050 337281717 /nfs/dbraw/zinc/28/17/17/337281717.db2.gz UVYSKYZKGKOFSX-CXAGYDPISA-N -1 3 310.397 3.573 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c([O-])c1 ZINC000189806386 337283124 /nfs/dbraw/zinc/28/31/24/337283124.db2.gz VPBYMYJHUZOSRM-LBPRGKRZSA-N -1 3 311.381 3.814 20 0 DHADHM C[C@H]1CCCN(Cc2c(Cl)cccc2Cl)[C@@H]1C(=O)[O-] ZINC000235660503 337326693 /nfs/dbraw/zinc/32/66/93/337326693.db2.gz DWRJDZLSFRYKJJ-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(Cl)c1 ZINC000028270910 337388087 /nfs/dbraw/zinc/38/80/87/337388087.db2.gz WLUBDDYOEPPKPQ-UHFFFAOYSA-N -1 3 301.733 3.884 20 0 DHADHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000028270910 337388088 /nfs/dbraw/zinc/38/80/88/337388088.db2.gz WLUBDDYOEPPKPQ-UHFFFAOYSA-N -1 3 301.733 3.884 20 0 DHADHM CCCOc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000030605454 337390322 /nfs/dbraw/zinc/39/03/22/337390322.db2.gz XBVIHAWXJRQPQC-UHFFFAOYSA-N -1 3 311.341 3.711 20 0 DHADHM CCCOc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000030605454 337390323 /nfs/dbraw/zinc/39/03/23/337390323.db2.gz XBVIHAWXJRQPQC-UHFFFAOYSA-N -1 3 311.341 3.711 20 0 DHADHM CCN(Cc1ccc(C)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000532928954 337393372 /nfs/dbraw/zinc/39/33/72/337393372.db2.gz ICRXKUFDEOFIOE-UHFFFAOYSA-N -1 3 313.426 3.727 20 0 DHADHM Cc1nnc([N-]C(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC000040326562 337397835 /nfs/dbraw/zinc/39/78/35/337397835.db2.gz KPIZTCZYUDDGOC-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM CC(C)CN(C(=O)c1cccc([O-])c1)[C@@H]1CCCc2cccnc21 ZINC000133868847 337446814 /nfs/dbraw/zinc/44/68/14/337446814.db2.gz BASQPYIPIAEOGP-GOSISDBHSA-N -1 3 324.424 3.963 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1[O-] ZINC000420178291 337496213 /nfs/dbraw/zinc/49/62/13/337496213.db2.gz TWHQAQRYPPPZLT-HZPDHXFCSA-N -1 3 317.429 3.882 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000571835357 337578617 /nfs/dbraw/zinc/57/86/17/337578617.db2.gz SNEUQXZBUDGRMC-UHFFFAOYSA-N -1 3 303.343 3.767 20 0 DHADHM CC(C)O[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000572139634 337593372 /nfs/dbraw/zinc/59/33/72/337593372.db2.gz PIYMKALPCZHZNU-INIZCTEOSA-N -1 3 303.333 3.636 20 0 DHADHM O=C([O-])c1cccc(CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000263428891 337628772 /nfs/dbraw/zinc/62/87/72/337628772.db2.gz RMMBBEGLFKYPMG-UHFFFAOYSA-N -1 3 313.372 3.846 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263444499 337629412 /nfs/dbraw/zinc/62/94/12/337629412.db2.gz XLTITZBJVFKDSB-QGZVFWFLSA-N -1 3 311.381 3.561 20 0 DHADHM CCC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000446136163 338521525 /nfs/dbraw/zinc/52/15/25/338521525.db2.gz DUVYMVXQSRRXRE-UHFFFAOYSA-N -1 3 312.756 3.836 20 0 DHADHM CCSCC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527176137 337735896 /nfs/dbraw/zinc/73/58/96/337735896.db2.gz DDIXSLZWXUPQQY-GFCCVEGCSA-N -1 3 303.427 3.807 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)COc2ccccc2F)c1[O-] ZINC000116980120 337845587 /nfs/dbraw/zinc/84/55/87/337845587.db2.gz KHXNNRDVCXYYJH-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000117584571 337848286 /nfs/dbraw/zinc/84/82/86/337848286.db2.gz YWZBLMSBSFKLJH-UHFFFAOYSA-N -1 3 305.334 3.799 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)ccc(F)c1F ZINC000120080133 337870070 /nfs/dbraw/zinc/87/00/70/337870070.db2.gz MIZHHTGTXFBHLO-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1 ZINC000064474726 337894347 /nfs/dbraw/zinc/89/43/47/337894347.db2.gz ILNRAHMYZFQBHF-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)sc1Cl ZINC000424616796 337923079 /nfs/dbraw/zinc/92/30/79/337923079.db2.gz GPSDKEGXOREFCA-OIBJUYFYSA-N -1 3 310.246 3.890 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000424621028 337925134 /nfs/dbraw/zinc/92/51/34/337925134.db2.gz NJVSCMJITHDXOY-ZANVPECISA-N -1 3 304.217 3.828 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000424621022 337925169 /nfs/dbraw/zinc/92/51/69/337925169.db2.gz NJVSCMJITHDXOY-RNCFNFMXSA-N -1 3 304.217 3.828 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(-c3cncnc3)cc2)c1[O-] ZINC000537659694 337957279 /nfs/dbraw/zinc/95/72/79/337957279.db2.gz XAFJSTDVDKRIEH-UHFFFAOYSA-N -1 3 319.364 3.664 20 0 DHADHM Cc1nc([N-]C(=O)c2cc(C(C)C)no2)sc1C(F)(F)F ZINC000515120434 337979577 /nfs/dbraw/zinc/97/95/77/337979577.db2.gz WPARFJJRWAFNCT-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM Cc1cccc(C[C@@H](CNCc2ccsc2Cl)C(=O)[O-])c1 ZINC000426629867 338036541 /nfs/dbraw/zinc/03/65/41/338036541.db2.gz GBTOWXZSPUPKJU-AWEZNQCLSA-N -1 3 323.845 3.743 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000426649166 338037006 /nfs/dbraw/zinc/03/70/06/338037006.db2.gz WGGOKHQVXXTZAL-ZDUSSCGKSA-N -1 3 318.442 3.933 20 0 DHADHM COc1cc(Cl)c(CNC[C@H](C)CCC(=O)[O-])cc1Cl ZINC000426655809 338037293 /nfs/dbraw/zinc/03/72/93/338037293.db2.gz UTUPNYRNWZTLJG-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM O=C([O-])CC1(CNCc2csc(-c3ccsc3)n2)CCC1 ZINC000426665998 338037511 /nfs/dbraw/zinc/03/75/11/338037511.db2.gz ZWMJWXWROFIFRY-UHFFFAOYSA-N -1 3 322.455 3.606 20 0 DHADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000426680568 338037917 /nfs/dbraw/zinc/03/79/17/338037917.db2.gz OVICJIBLUNAOBT-OAHLLOKOSA-N -1 3 324.207 3.779 20 0 DHADHM CC(C)(C)c1nc(CNCC2(CC(=O)[O-])CCCCC2)cs1 ZINC000426686392 338038059 /nfs/dbraw/zinc/03/80/59/338038059.db2.gz MPMPSBUEQXWEMP-UHFFFAOYSA-N -1 3 324.490 3.955 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1cc(Cl)cc(Cl)c1 ZINC000426693397 338038350 /nfs/dbraw/zinc/03/83/50/338038350.db2.gz ZLIANESJMUJZJZ-UHFFFAOYSA-N -1 3 324.207 3.910 20 0 DHADHM CC(C)C[C@H](CNCc1coc(-c2ccccc2)n1)CC(=O)[O-] ZINC000426698765 338038493 /nfs/dbraw/zinc/03/84/93/338038493.db2.gz BFNMHMIXSHRNRH-AWEZNQCLSA-N -1 3 316.401 3.568 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc3ncccc3c2)C(=O)[O-])c1C ZINC000426724931 338039350 /nfs/dbraw/zinc/03/93/50/338039350.db2.gz XDOJQKRXTNWYQO-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000426751420 338040638 /nfs/dbraw/zinc/04/06/38/338040638.db2.gz VSZVOLSOBGYXHK-LIRRHRJNSA-N -1 3 320.392 3.786 20 0 DHADHM CC(C)(C)CC[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426753835 338040775 /nfs/dbraw/zinc/04/07/75/338040775.db2.gz LLGPYOINUXTHBY-CYBMUJFWSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1ccc2c(CN3CCn4cccc4[C@@H]3C)ccc([O-])c2n1 ZINC000429729155 338088637 /nfs/dbraw/zinc/08/86/37/338088637.db2.gz YSCURNUDKYURCP-AWEZNQCLSA-N -1 3 307.397 3.627 20 0 DHADHM O=S(=O)([N-]Cc1ccsc1)c1ccc(Cl)cc1Cl ZINC000429850162 338091003 /nfs/dbraw/zinc/09/10/03/338091003.db2.gz VYVHJWAFUKOZLP-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM O=C(NCC1(c2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000431525980 338133177 /nfs/dbraw/zinc/13/31/77/338133177.db2.gz RGNFNTWEPRECMF-UHFFFAOYSA-N -1 3 301.773 3.507 20 0 DHADHM CCn1c(=O)[n-]nc1SCCc1cccc(Cl)c1Cl ZINC000432560100 338159104 /nfs/dbraw/zinc/15/91/04/338159104.db2.gz TVDXCKFIRJYUQB-UHFFFAOYSA-N -1 3 318.229 3.645 20 0 DHADHM CCc1cnc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000432706892 338163655 /nfs/dbraw/zinc/16/36/55/338163655.db2.gz CBPADTDNJRKKGM-KAMYIIQDSA-N -1 3 323.421 3.984 20 0 DHADHM CCc1ccc([C@@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000433076959 338180594 /nfs/dbraw/zinc/18/05/94/338180594.db2.gz MGTULDOVKFGNTL-RHSMWYFYSA-N -1 3 311.429 3.604 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccoc1Cl ZINC000434360566 338215152 /nfs/dbraw/zinc/21/51/52/338215152.db2.gz CAWKYJLQKUYTRE-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM COc1ccc(OC)c(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435956919 338254250 /nfs/dbraw/zinc/25/42/50/338254250.db2.gz IJQXQDAZAVQRPN-RMKNXTFCSA-N -1 3 324.336 3.630 20 0 DHADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436489463 338274073 /nfs/dbraw/zinc/27/40/73/338274073.db2.gz QEVBQCFEVIMSQW-LLVKDONJSA-N -1 3 316.401 3.654 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c1[O-] ZINC000436494358 338274384 /nfs/dbraw/zinc/27/43/84/338274384.db2.gz LMYDEAAQNUQPTQ-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM CCOc1cc(-c2noc([C@]3(C)C[C@H]4C[C@H]4C3)n2)ccc1[O-] ZINC000436521145 338275029 /nfs/dbraw/zinc/27/50/29/338275029.db2.gz LGHGXGDTDYEYNP-DPIQGUFMSA-N -1 3 300.358 3.529 20 0 DHADHM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)cc1[O-] ZINC000436523668 338275124 /nfs/dbraw/zinc/27/51/24/338275124.db2.gz CBURREHPZVGQNY-AWEZNQCLSA-N -1 3 301.411 3.912 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436529919 338275357 /nfs/dbraw/zinc/27/53/57/338275357.db2.gz CQEROSRXHFVDHI-UHFFFAOYSA-N -1 3 312.369 3.555 20 0 DHADHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccccc1[O-] ZINC000436530283 338275383 /nfs/dbraw/zinc/27/53/83/338275383.db2.gz BNAHBBHORKDKFQ-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM CC[C@H](NC(=O)c1ccccc1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000436546521 338276522 /nfs/dbraw/zinc/27/65/22/338276522.db2.gz GEYUVWCUORGTNL-HNNXBMFYSA-N -1 3 321.380 3.663 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436550219 338276760 /nfs/dbraw/zinc/27/67/60/338276760.db2.gz XFBWXEXSSVFJBO-UHFFFAOYSA-N -1 3 303.324 3.814 20 0 DHADHM COc1c2ccccc2[nH]c1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436563189 338277314 /nfs/dbraw/zinc/27/73/14/338277314.db2.gz HDHFBRACHOFSGZ-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3cc(F)ccc3[O-])c2C1 ZINC000436565315 338277338 /nfs/dbraw/zinc/27/73/38/338277338.db2.gz ITJJYWXCVWMOFM-UHFFFAOYSA-N -1 3 314.360 3.509 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)c([O-])c1 ZINC000436578704 338278248 /nfs/dbraw/zinc/27/82/48/338278248.db2.gz XOBXGTYWLMSHAY-UHFFFAOYSA-N -1 3 316.401 3.731 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CC[C@H](C)C1 ZINC000436588133 338278703 /nfs/dbraw/zinc/27/87/03/338278703.db2.gz HFGYFTCFOVCCJC-HOCLYGCPSA-N -1 3 319.445 3.793 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000436591639 338278964 /nfs/dbraw/zinc/27/89/64/338278964.db2.gz QXKAVHWKJAQBQA-OAHLLOKOSA-N -1 3 301.773 3.941 20 0 DHADHM CS[C@@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436597483 338279225 /nfs/dbraw/zinc/27/92/25/338279225.db2.gz VMKUVUIBACBYTC-CQSZACIVSA-N -1 3 307.459 3.873 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2cccc(F)c21 ZINC000436597417 338279381 /nfs/dbraw/zinc/27/93/81/338279381.db2.gz VGCXNURMDXTXGD-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CC(C)COCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436612818 338279877 /nfs/dbraw/zinc/27/98/77/338279877.db2.gz OEVNZBVVSIYCDT-UHFFFAOYSA-N -1 3 312.369 3.811 20 0 DHADHM [O-]c1ccc(-c2noc(Cc3cccc(O)c3)n2)c2ccccc12 ZINC000436612165 338279997 /nfs/dbraw/zinc/27/99/97/338279997.db2.gz LVHNFTPEKQWRJJ-UHFFFAOYSA-N -1 3 318.332 3.892 20 0 DHADHM COC[C@@H](C)[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436621836 338280363 /nfs/dbraw/zinc/28/03/63/338280363.db2.gz YIRRWUWEZBCIRK-NEPJUHHUSA-N -1 3 312.369 3.981 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)s1 ZINC000436627288 338280443 /nfs/dbraw/zinc/28/04/43/338280443.db2.gz SAEZVKHWOXPBBQ-SNVBAGLBSA-N -1 3 311.790 3.694 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000436632234 338280592 /nfs/dbraw/zinc/28/05/92/338280592.db2.gz VXSNLCVAESUFJD-UHFFFAOYSA-N -1 3 317.360 3.599 20 0 DHADHM Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2F)c([O-])c1C ZINC000436672651 338282280 /nfs/dbraw/zinc/28/22/80/338282280.db2.gz MYVUBBHTPVIJIE-GFCCVEGCSA-N -1 3 301.361 3.509 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1[O-] ZINC000436683687 338282711 /nfs/dbraw/zinc/28/27/11/338282711.db2.gz UVTHNOALVCRWQD-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1ccc(C)cc1[O-] ZINC000436686360 338282780 /nfs/dbraw/zinc/28/27/80/338282780.db2.gz FAUKBTZNIFGNFN-UHFFFAOYSA-N -1 3 303.427 3.857 20 0 DHADHM CCc1ccc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000436690145 338282917 /nfs/dbraw/zinc/28/29/17/338282917.db2.gz YHFLZMIJKABLEX-KRWDZBQOSA-N -1 3 309.409 3.974 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)c([O-])c1 ZINC000436694817 338283243 /nfs/dbraw/zinc/28/32/43/338283243.db2.gz BLQMKEDLPMUWND-SFHVURJKSA-N -1 3 317.335 3.551 20 0 DHADHM COc1cccc(C(=O)N(C)c2cc(Cl)ccc2C)c1[O-] ZINC000436704586 338283468 /nfs/dbraw/zinc/28/34/68/338283468.db2.gz KNNYTKMELLTXLY-UHFFFAOYSA-N -1 3 305.761 3.639 20 0 DHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([O-])c(OC)c1 ZINC000436707025 338283539 /nfs/dbraw/zinc/28/35/39/338283539.db2.gz SQPVBEUBRNKTTE-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCCCC2 ZINC000436719199 338283962 /nfs/dbraw/zinc/28/39/62/338283962.db2.gz OQICKNNADTWIJS-SJORKVTESA-N -1 3 317.429 3.592 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000436732644 338284626 /nfs/dbraw/zinc/28/46/26/338284626.db2.gz AEJLBYCHSVOVSN-UHFFFAOYSA-N -1 3 313.401 3.683 20 0 DHADHM CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436741685 338285062 /nfs/dbraw/zinc/28/50/62/338285062.db2.gz UCKQXJHDTBIGLQ-UHFFFAOYSA-N -1 3 307.781 3.856 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(C)c1[O-] ZINC000436754727 338285573 /nfs/dbraw/zinc/28/55/73/338285573.db2.gz JZUDGTZQASKMLN-UHFFFAOYSA-N -1 3 301.361 3.892 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436759764 338285882 /nfs/dbraw/zinc/28/58/82/338285882.db2.gz GAVQGYJKRFNCQB-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1cccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000436760187 338286174 /nfs/dbraw/zinc/28/61/74/338286174.db2.gz NJUXHZLJTRWAGE-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccccc3Cl)n2)cc1 ZINC000436767102 338286306 /nfs/dbraw/zinc/28/63/06/338286306.db2.gz FEVGGCJWNDZPMF-UHFFFAOYSA-N -1 3 300.745 3.881 20 0 DHADHM Cc1ccc(OCCc2nc(-c3ccc([O-])cc3)no2)c(C)c1 ZINC000436767792 338286485 /nfs/dbraw/zinc/28/64/85/338286485.db2.gz IIGOUMIURKUPBR-UHFFFAOYSA-N -1 3 310.353 3.681 20 0 DHADHM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c(OC)c1 ZINC000436772107 338286648 /nfs/dbraw/zinc/28/66/48/338286648.db2.gz IZUQNCBZJVJZPR-UXBLZVDNSA-N -1 3 324.336 3.630 20 0 DHADHM CCN(CC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436785332 338287344 /nfs/dbraw/zinc/28/73/44/338287344.db2.gz OGUTZCBGTDKETE-UHFFFAOYSA-N -1 3 309.409 3.855 20 0 DHADHM COc1cc(-c2noc(-c3cc(Cl)ccc3F)n2)ccc1[O-] ZINC000436788587 338287390 /nfs/dbraw/zinc/28/73/90/338287390.db2.gz HSUPZWJOEJXVBT-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CCc1ccc(C(=O)N(CC)CCc2cccs2)c([O-])c1 ZINC000436812420 338288254 /nfs/dbraw/zinc/28/82/54/338288254.db2.gz XGIRDLUICUSHIS-UHFFFAOYSA-N -1 3 303.427 3.721 20 0 DHADHM CCc1ccc(C(=O)Nc2ccccc2OC(F)F)c([O-])c1 ZINC000436813640 338288315 /nfs/dbraw/zinc/28/83/15/338288315.db2.gz PPYMQCKJADWECA-UHFFFAOYSA-N -1 3 307.296 3.808 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)c([O-])c1 ZINC000436816688 338288541 /nfs/dbraw/zinc/28/85/41/338288541.db2.gz UGLZPPIQGJRMLG-MRXNPFEDSA-N -1 3 317.429 3.547 20 0 DHADHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c([O-])c1 ZINC000436820813 338288715 /nfs/dbraw/zinc/28/87/15/338288715.db2.gz SKKHXGGUDSCMFA-CYBMUJFWSA-N -1 3 301.390 3.757 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000436826801 338288721 /nfs/dbraw/zinc/28/87/21/338288721.db2.gz QPMBGHKLTAYJRN-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM CCOc1ccc(OC)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC000436825838 338288839 /nfs/dbraw/zinc/28/88/39/338288839.db2.gz MZKRIMIVRULYOA-UHFFFAOYSA-N -1 3 315.369 3.614 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436829915 338288939 /nfs/dbraw/zinc/28/89/39/338288939.db2.gz BNYNLCLGMCLWBM-QGZVFWFLSA-N -1 3 309.409 3.659 20 0 DHADHM CCc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c([O-])c1 ZINC000436835247 338289183 /nfs/dbraw/zinc/28/91/83/338289183.db2.gz CVSMHZDUEUJGOJ-UHFFFAOYSA-N -1 3 307.393 3.642 20 0 DHADHM CCN(CC(C)(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436835852 338289250 /nfs/dbraw/zinc/28/92/50/338289250.db2.gz FUIHAUBMEUGASJ-UHFFFAOYSA-N -1 3 305.418 3.614 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c([O-])c1 ZINC000436834088 338289264 /nfs/dbraw/zinc/28/92/64/338289264.db2.gz YBDRSPGGXVOAEZ-HXUWFJFHSA-N -1 3 309.409 3.758 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c([O-])c1 ZINC000436836874 338289342 /nfs/dbraw/zinc/28/93/42/338289342.db2.gz FXXPVNHKOTVJLU-UHFFFAOYSA-N -1 3 317.429 3.518 20 0 DHADHM COc1cccc(C(=O)N2CCCC3(CCCCC3)CC2)c1[O-] ZINC000436836457 338289368 /nfs/dbraw/zinc/28/93/68/338289368.db2.gz CQVVMSRISUFNEH-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c([O-])c1 ZINC000436843845 338289653 /nfs/dbraw/zinc/28/96/53/338289653.db2.gz KIAOGLIFXVFAHT-UHFFFAOYSA-N -1 3 308.337 3.607 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc(F)c(OC)c3)no2)c([O-])c1 ZINC000436845273 338289755 /nfs/dbraw/zinc/28/97/55/338289755.db2.gz ITNCCLBDYGKXMT-UHFFFAOYSA-N -1 3 314.316 3.819 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1[O-] ZINC000436848188 338289799 /nfs/dbraw/zinc/28/97/99/338289799.db2.gz UNYUUILWAYDQTE-UHFFFAOYSA-N -1 3 317.772 3.520 20 0 DHADHM CSc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436850335 338289824 /nfs/dbraw/zinc/28/98/24/338289824.db2.gz GQXIVXKOAXZYNE-UHFFFAOYSA-N -1 3 301.367 3.569 20 0 DHADHM COc1cc(Cl)c(NC(=O)c2cccc(C)c2[O-])cc1C ZINC000436849271 338289943 /nfs/dbraw/zinc/28/99/43/338289943.db2.gz RNXGYXTZRHKPNB-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[O-] ZINC000436852730 338290100 /nfs/dbraw/zinc/29/01/00/338290100.db2.gz BENRRDZILKGGLK-NSHDSACASA-N -1 3 323.348 3.832 20 0 DHADHM Cc1ccc(-n2ccnc2)c(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436868520 338290692 /nfs/dbraw/zinc/29/06/92/338290692.db2.gz HYUCWVDUOTULBT-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM CC[C@H]1CCCC[C@H]1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436867555 338290700 /nfs/dbraw/zinc/29/07/00/338290700.db2.gz CYXOPVJSZJGWJO-SWLSCSKDSA-N -1 3 302.374 3.928 20 0 DHADHM CCOc1cc(-c2noc(C[C@H]3CCC[C@@H]3C)n2)ccc1[O-] ZINC000436871711 338290730 /nfs/dbraw/zinc/29/07/30/338290730.db2.gz KPDLSANRRQOXPV-NWDGAFQWSA-N -1 3 302.374 3.820 20 0 DHADHM Cc1cccc(Cl)c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436870534 338290860 /nfs/dbraw/zinc/29/08/60/338290860.db2.gz NQWIHJFCDRTYKM-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM [O-]c1ccc(-c2noc(C3(Cc4ccccc4F)CC3)n2)cc1 ZINC000436873757 338290948 /nfs/dbraw/zinc/29/09/48/338290948.db2.gz XNXYIPCCTTXEHO-UHFFFAOYSA-N -1 3 310.328 3.856 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436874698 338291099 /nfs/dbraw/zinc/29/10/99/338291099.db2.gz BEBJOKYDHZWTSM-CQSZACIVSA-N -1 3 321.417 3.594 20 0 DHADHM Cc1ccc2ncc(-c3noc(-c4ccc(C)c(C)c4[O-])n3)n2c1 ZINC000436880440 338291456 /nfs/dbraw/zinc/29/14/56/338291456.db2.gz JNOHQXWDAMDGLR-UHFFFAOYSA-N -1 3 320.352 3.682 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(Cc3cccs3)no1)CCCC2 ZINC000436889474 338291893 /nfs/dbraw/zinc/29/18/93/338291893.db2.gz CDRBVJCYQDXUMC-UHFFFAOYSA-N -1 3 312.394 3.973 20 0 DHADHM CCc1cccnc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436887160 338291994 /nfs/dbraw/zinc/29/19/94/338291994.db2.gz PPAZQLWOBGCWRX-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM COC(=O)c1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436890237 338292232 /nfs/dbraw/zinc/29/22/32/338292232.db2.gz FCEXOKMEHSWSOB-UHFFFAOYSA-N -1 3 324.336 3.513 20 0 DHADHM COc1cc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)ccc1C ZINC000436893833 338292276 /nfs/dbraw/zinc/29/22/76/338292276.db2.gz CBSOCJVPBMDBPJ-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM Cc1ccccc1OCCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436906113 338292850 /nfs/dbraw/zinc/29/28/50/338292850.db2.gz VGKLCEMEBQSGBH-UHFFFAOYSA-N -1 3 313.397 3.550 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c([O-])c1 ZINC000436908758 338293041 /nfs/dbraw/zinc/29/30/41/338293041.db2.gz JTFFXJDCXPZYBV-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc(-c2nc(-c3cc4[nH]cnc4c(C)c3)no2)c([O-])c1 ZINC000436937179 338294493 /nfs/dbraw/zinc/29/44/93/338294493.db2.gz DQZUUABLBUBFSR-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3cccc4nccn43)ccc12 ZINC000436941824 338295048 /nfs/dbraw/zinc/29/50/48/338295048.db2.gz GEHNUOVXAYXCON-FNORWQNLSA-N -1 3 317.348 3.767 20 0 DHADHM Cc1ccc(-c2nc(COc3ccccc3C)no2)c([O-])c1C ZINC000436941752 338295071 /nfs/dbraw/zinc/29/50/71/338295071.db2.gz SESJSKCMBIYNRV-UHFFFAOYSA-N -1 3 310.353 3.946 20 0 DHADHM COc1cccc(-c2nc(C[C@@H](C)c3ccccc3)no2)c1[O-] ZINC000436943738 338295106 /nfs/dbraw/zinc/29/51/06/338295106.db2.gz GRAGBUPDYDEPKA-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1[O-] ZINC000436947478 338295301 /nfs/dbraw/zinc/29/53/01/338295301.db2.gz YSWYZEDKJSKYPT-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM CO[C@H](c1noc(-c2ccccc2[O-])n1)c1ccccc1Cl ZINC000436952499 338295500 /nfs/dbraw/zinc/29/55/00/338295500.db2.gz JCOJISSDWBMPPH-AWEZNQCLSA-N -1 3 316.744 3.831 20 0 DHADHM CC(C)c1ccc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c([O-])c1 ZINC000436950827 338295510 /nfs/dbraw/zinc/29/55/10/338295510.db2.gz WEHAWHIXEWTEHJ-AAEUAGOBSA-N -1 3 302.374 3.848 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c([O-])c1 ZINC000436953010 338295577 /nfs/dbraw/zinc/29/55/77/338295577.db2.gz LGRQTHCBIBJOGT-AWEZNQCLSA-N -1 3 317.429 3.976 20 0 DHADHM CCC(CC)(OC)c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436954822 338295637 /nfs/dbraw/zinc/29/56/37/338295637.db2.gz XVNQWOHFUMDYDS-UHFFFAOYSA-N -1 3 316.401 3.983 20 0 DHADHM CC(C)N(Cc1ccco1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436955862 338295708 /nfs/dbraw/zinc/29/57/08/338295708.db2.gz JJGWAMIFBAJBGR-UHFFFAOYSA-N -1 3 313.397 3.915 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCCC(C)(C)C2)c([O-])c1 ZINC000436983946 338296767 /nfs/dbraw/zinc/29/67/67/338296767.db2.gz AVOKTVWRUYBXPL-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000436983978 338296877 /nfs/dbraw/zinc/29/68/77/338296877.db2.gz XYNGCOSJUHBWLS-KBPBESRZSA-N -1 3 305.418 3.689 20 0 DHADHM CCCCOc1ccc(C(=O)N(C)Cc2ccccc2)c([O-])c1 ZINC000436989351 338296899 /nfs/dbraw/zinc/29/68/99/338296899.db2.gz OIQLLWLWRIUHPP-UHFFFAOYSA-N -1 3 313.397 3.843 20 0 DHADHM CCCCOc1ccc(C(=O)NCCCC(F)(F)F)c([O-])c1 ZINC000436991742 338296932 /nfs/dbraw/zinc/29/69/32/338296932.db2.gz ZFBXYPSRBQXBOO-UHFFFAOYSA-N -1 3 319.323 3.643 20 0 DHADHM Cc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c([O-])c1 ZINC000437006637 338297458 /nfs/dbraw/zinc/29/74/58/338297458.db2.gz YOTQLURWSXCPSK-UHFFFAOYSA-N -1 3 317.335 3.784 20 0 DHADHM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])o1 ZINC000440275920 338385093 /nfs/dbraw/zinc/38/50/93/338385093.db2.gz YVKGNKQUMZINQM-LBPRGKRZSA-N -1 3 301.386 3.662 20 0 DHADHM O=C(NCCC1CC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000440310243 338385303 /nfs/dbraw/zinc/38/53/03/338385303.db2.gz AMKRNOQYIWUWOF-UHFFFAOYSA-N -1 3 311.381 3.501 20 0 DHADHM CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448635900 338386128 /nfs/dbraw/zinc/38/61/28/338386128.db2.gz VECWZWSUVXHGJP-INIZCTEOSA-N -1 3 301.361 3.731 20 0 DHADHM O=C([N-]c1cnccc1Oc1ccccc1)c1cc(C2CC2)no1 ZINC000440725965 338396133 /nfs/dbraw/zinc/39/61/33/338396133.db2.gz GZELELIAKHQCCH-UHFFFAOYSA-N -1 3 321.336 3.992 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Oc2ccccc2F)CC1 ZINC000442632934 338426302 /nfs/dbraw/zinc/42/63/02/338426302.db2.gz GRKSJNSMTQQYCS-UHFFFAOYSA-N -1 3 321.735 3.735 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(CCC2)c2ccccc21 ZINC000451136093 338722530 /nfs/dbraw/zinc/72/25/30/338722530.db2.gz WGLDQMICQANBIY-UHFFFAOYSA-N -1 3 311.356 3.542 20 0 DHADHM COc1cc(C)c(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c1C ZINC000451969308 338749636 /nfs/dbraw/zinc/74/96/36/338749636.db2.gz KLXKJPCEKOKKIG-UHFFFAOYSA-N -1 3 317.360 3.646 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC[C@H]1C ZINC000452757412 338778062 /nfs/dbraw/zinc/77/80/62/338778062.db2.gz PQDJSWUAGGBLBE-PSASIEDQSA-N -1 3 312.207 3.838 20 0 DHADHM CCC[C@@H](OC)c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000453198347 338806524 /nfs/dbraw/zinc/80/65/24/338806524.db2.gz OADIQZBGEMISTE-CQSZACIVSA-N -1 3 302.374 3.809 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1[O-] ZINC000195746207 338914852 /nfs/dbraw/zinc/91/48/52/338914852.db2.gz QXMNQTSXGCACEI-OAHLLOKOSA-N -1 3 317.429 3.976 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456704165 338937544 /nfs/dbraw/zinc/93/75/44/338937544.db2.gz RGARYPGHXAWVBG-QGZVFWFLSA-N -1 3 321.380 3.636 20 0 DHADHM CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000458337750 338996735 /nfs/dbraw/zinc/99/67/35/338996735.db2.gz LBZIOVYPINRMER-HNNXBMFYSA-N -1 3 312.413 3.617 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)c[n-]c12 ZINC000164568590 339002516 /nfs/dbraw/zinc/00/25/16/339002516.db2.gz QXWCUWDUHUBLNJ-OKILXGFUSA-N -1 3 310.397 3.511 20 0 DHADHM C[C@@H](c1ccco1)N(C)Cc1cccc([O-])c1Br ZINC000459296432 339020017 /nfs/dbraw/zinc/02/00/17/339020017.db2.gz IGYPLTWSXRRDAD-JTQLQIEISA-N -1 3 310.191 3.941 20 0 DHADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)ccc1F ZINC000459387309 339026325 /nfs/dbraw/zinc/02/63/25/339026325.db2.gz MZKAMYKAHRQBPZ-OAHLLOKOSA-N -1 3 319.355 3.579 20 0 DHADHM Cc1ccc(NC(=O)CCc2cncc3ccccc32)c([O-])c1 ZINC000462904890 339097259 /nfs/dbraw/zinc/09/72/59/339097259.db2.gz XLSYTERKQCNJKC-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM CCC(CC)[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000464311122 339139405 /nfs/dbraw/zinc/13/94/05/339139405.db2.gz MLDKGIASIMWSGS-SFHVURJKSA-N -1 3 322.412 3.865 20 0 DHADHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000466589299 339209987 /nfs/dbraw/zinc/20/99/87/339209987.db2.gz WBEGJSPZRZRPGJ-AWEZNQCLSA-N -1 3 308.397 3.642 20 0 DHADHM C[C@@H](C1CC1)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000468313270 339259527 /nfs/dbraw/zinc/25/95/27/339259527.db2.gz RSTMZIMKIQOYFJ-LBPRGKRZSA-N -1 3 305.393 3.644 20 0 DHADHM CC(C)c1cc(C(=O)NCCCCCO)c([O-])c(C(C)C)c1 ZINC000468494591 339264210 /nfs/dbraw/zinc/26/42/10/339264210.db2.gz CYKVOHJDEOCUBU-UHFFFAOYSA-N -1 3 307.434 3.531 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(F)cc1F ZINC000468574039 339266674 /nfs/dbraw/zinc/26/66/74/339266674.db2.gz HDBIKEBQSLGJJK-UHFFFAOYSA-N -1 3 309.287 3.771 20 0 DHADHM CC(C)[C@@H](C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000468597308 339267004 /nfs/dbraw/zinc/26/70/04/339267004.db2.gz DMTVXFVFIMFGJX-CYBMUJFWSA-N -1 3 307.409 3.890 20 0 DHADHM CCc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C ZINC000468633634 339267614 /nfs/dbraw/zinc/26/76/14/339267614.db2.gz YUVUEZRYEMNDLQ-UHFFFAOYSA-N -1 3 322.405 3.820 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000469093492 339280019 /nfs/dbraw/zinc/28/00/19/339280019.db2.gz VNOCXXVOPFVZPS-DVOMOZLQSA-N -1 3 307.409 3.795 20 0 DHADHM CCCC(O)(CCC)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469247986 339284144 /nfs/dbraw/zinc/28/41/44/339284144.db2.gz SGUBIAIKCFVDTG-AWEZNQCLSA-N -1 3 319.445 3.954 20 0 DHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000469381313 339287400 /nfs/dbraw/zinc/28/74/00/339287400.db2.gz LWQQWQUKZZTXNY-ZDUSSCGKSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000469562436 339293392 /nfs/dbraw/zinc/29/33/92/339293392.db2.gz RMMFRJLQNDXYJA-VNHYZAJKSA-N -1 3 307.409 3.795 20 0 DHADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1F ZINC000469676632 339295412 /nfs/dbraw/zinc/29/54/12/339295412.db2.gz GDDIVGCGDOFQHL-UHFFFAOYSA-N -1 3 321.323 3.640 20 0 DHADHM Cc1ccsc1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469802550 339301169 /nfs/dbraw/zinc/30/11/69/339301169.db2.gz WBAJCFGJOQAQHO-UHFFFAOYSA-N -1 3 321.417 3.583 20 0 DHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCCC1 ZINC000470560750 339322312 /nfs/dbraw/zinc/32/23/12/339322312.db2.gz MSBUKTCWYKRINI-UHFFFAOYSA-N -1 3 313.806 3.616 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000470897052 339330578 /nfs/dbraw/zinc/33/05/78/339330578.db2.gz JQYMFAIUOWPOEZ-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM Cn1nc(C(F)F)c2cc(C(=O)Nc3ccccc3[O-])sc21 ZINC000471790220 339354132 /nfs/dbraw/zinc/35/41/32/339354132.db2.gz GIPZXYASANZKHQ-UHFFFAOYSA-N -1 3 323.324 3.530 20 0 DHADHM Cc1ccccc1[C@@H]1CN(Cc2cc([O-])cc(F)c2)[C@@H](C)CO1 ZINC000473144685 339382779 /nfs/dbraw/zinc/38/27/79/339382779.db2.gz VJYQQWBPMBRDGS-LIRRHRJNSA-N -1 3 315.388 3.802 20 0 DHADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cc([O-])cc(F)c1 ZINC000473146372 339382889 /nfs/dbraw/zinc/38/28/89/339382889.db2.gz YRGBODQGNHVZST-GOSISDBHSA-N -1 3 315.388 3.883 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(Cl)c(F)c1 ZINC000477529038 339496828 /nfs/dbraw/zinc/49/68/28/339496828.db2.gz XWGIFKLFCQCKMX-UHFFFAOYSA-N -1 3 319.810 3.525 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1[O-] ZINC000478256812 339511721 /nfs/dbraw/zinc/51/17/21/339511721.db2.gz SPGLUKTUGXMYQW-RHSMWYFYSA-N -1 3 313.372 3.906 20 0 DHADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000485499442 339704546 /nfs/dbraw/zinc/70/45/46/339704546.db2.gz DDDYTDJAEPCWKM-VIFPVBQESA-N -1 3 319.744 3.517 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2C)C2CC2)c1 ZINC000485569729 339706072 /nfs/dbraw/zinc/70/60/72/339706072.db2.gz OHMVQJUBMXXVMH-GOSISDBHSA-N -1 3 311.381 3.590 20 0 DHADHM CCc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2)ccc1[O-] ZINC000485922961 339716396 /nfs/dbraw/zinc/71/63/96/339716396.db2.gz HFPQSVFFHKMKTO-GFCCVEGCSA-N -1 3 301.361 3.627 20 0 DHADHM CCc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486007894 339718444 /nfs/dbraw/zinc/71/84/44/339718444.db2.gz QVSCWKMJGWTLKQ-BQYQJAHWSA-N -1 3 303.365 3.565 20 0 DHADHM O=c1cc(C=Cc2ccc(Cl)s2)nc(-c2ccncc2)[n-]1 ZINC000486099585 339721108 /nfs/dbraw/zinc/72/11/08/339721108.db2.gz CZGYQVNJHVKRPR-OWOJBTEDSA-N -1 3 315.785 3.717 20 0 DHADHM CCc1cc(C(=O)Nc2nc3ccsc3s2)ccc1[O-] ZINC000486392338 339726543 /nfs/dbraw/zinc/72/65/43/339726543.db2.gz FGSJNHOLGYAASY-UHFFFAOYSA-N -1 3 304.396 3.878 20 0 DHADHM CCCC(C)(C)CC(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000486429508 339727088 /nfs/dbraw/zinc/72/70/88/339727088.db2.gz CBDGZJDUSSIICU-UHFFFAOYSA-N -1 3 310.394 3.569 20 0 DHADHM CCc1cc(C(=O)N(Cc2ccccc2)CC(F)F)ccc1[O-] ZINC000486550479 339729082 /nfs/dbraw/zinc/72/90/82/339729082.db2.gz RDUPCGLPOOSAIH-UHFFFAOYSA-N -1 3 319.351 3.862 20 0 DHADHM CCc1cc(C(=O)N2CCc3c4ccccc4[nH]c3C2)ccc1[O-] ZINC000486794077 339734449 /nfs/dbraw/zinc/73/44/49/339734449.db2.gz LKGFQQVWMWRQGW-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM CCc1cc(C(=O)N2CC=C(c3ccccc3F)C2)ccc1[O-] ZINC000487162753 339744802 /nfs/dbraw/zinc/74/48/02/339744802.db2.gz IPCMZUJIVFZMTN-UHFFFAOYSA-N -1 3 311.356 3.633 20 0 DHADHM COc1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)ccc1O ZINC000487672789 339760795 /nfs/dbraw/zinc/76/07/95/339760795.db2.gz IEHXMLGUFZKTDI-UHFFFAOYSA-N -1 3 322.773 3.849 20 0 DHADHM COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000490654140 339836636 /nfs/dbraw/zinc/83/66/36/339836636.db2.gz WSUYWXFBXGNPPM-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM Cc1cccc([C@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000499286921 340034179 /nfs/dbraw/zinc/03/41/79/340034179.db2.gz QZDICAZVSDKZCL-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)ccc1[O-] ZINC000499876258 340046341 /nfs/dbraw/zinc/04/63/41/340046341.db2.gz MGKHVGJNHNZRBV-UHFFFAOYSA-N -1 3 315.800 3.816 20 0 DHADHM Cc1ccc(NC(=O)C(C)(C)COCc2ccccc2)c([O-])c1 ZINC000499910288 340046962 /nfs/dbraw/zinc/04/69/62/340046962.db2.gz VEUHHFXABZJETC-UHFFFAOYSA-N -1 3 313.397 3.882 20 0 DHADHM Cc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)ccc1[O-] ZINC000500355723 340055652 /nfs/dbraw/zinc/05/56/52/340055652.db2.gz DZQBUHLPKWKWOK-UHFFFAOYSA-N -1 3 309.409 3.895 20 0 DHADHM Cc1ccc([O-])c(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)n1 ZINC000500414202 340057455 /nfs/dbraw/zinc/05/74/55/340057455.db2.gz GHFPKKPBHTVEAV-DIFFPNOSSA-N -1 3 302.805 3.774 20 0 DHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500443527 340058960 /nfs/dbraw/zinc/05/89/60/340058960.db2.gz ZCUPOCPNWCZIGX-NWDGAFQWSA-N -1 3 324.471 3.523 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)ccc1[O-] ZINC000500624510 340064023 /nfs/dbraw/zinc/06/40/23/340064023.db2.gz MFZPJCIETSSBRZ-HNNXBMFYSA-N -1 3 313.372 3.545 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CSCC(F)(F)F)c([O-])c1 ZINC000501950459 340091261 /nfs/dbraw/zinc/09/12/61/340091261.db2.gz VMYHOCXYWPCLCA-UHFFFAOYSA-N -1 3 321.364 3.924 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCCc2ccccc2OC)n1 ZINC000502401881 340101902 /nfs/dbraw/zinc/10/19/02/340101902.db2.gz FTMPWTZXKFPNDD-UHFFFAOYSA-N -1 3 318.442 3.619 20 0 DHADHM Cc1ccc(NC(=O)[C@H](C)Cn2ccc3ccccc32)c([O-])c1 ZINC000504651917 340150620 /nfs/dbraw/zinc/15/06/20/340150620.db2.gz YKHJXRCTDQCSLM-CQSZACIVSA-N -1 3 308.381 3.930 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000505379412 340167524 /nfs/dbraw/zinc/16/75/24/340167524.db2.gz KCPBYYPJUHYFPI-SCOAYWHSSA-N -1 3 323.392 3.719 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cnn3ccccc23)c([O-])c1 ZINC000506238556 340189690 /nfs/dbraw/zinc/18/96/90/340189690.db2.gz PUBXOFOIBFANDW-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM CNc1snc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506256754 340190289 /nfs/dbraw/zinc/19/02/89/340190289.db2.gz WZRCQFWORJNOQF-UHFFFAOYSA-N -1 3 319.430 3.749 20 0 DHADHM COc1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)cc1 ZINC000507023876 340205524 /nfs/dbraw/zinc/20/55/24/340205524.db2.gz XDQVHCBVIMIHMG-UHFFFAOYSA-N -1 3 319.351 3.844 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000507038173 340206039 /nfs/dbraw/zinc/20/60/39/340206039.db2.gz NNLFSMSGVFWMHA-GOSISDBHSA-N -1 3 307.349 3.813 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000507038174 340206054 /nfs/dbraw/zinc/20/60/54/340206054.db2.gz NNLFSMSGVFWMHA-SFHVURJKSA-N -1 3 307.349 3.813 20 0 DHADHM COc1ccc(CCCN(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000507639166 340227073 /nfs/dbraw/zinc/22/70/73/340227073.db2.gz WBHRGQYIRBQNQG-UHFFFAOYSA-N -1 3 321.367 3.744 20 0 DHADHM Cc1ccccc1[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508014878 340237477 /nfs/dbraw/zinc/23/74/77/340237477.db2.gz LXHUPVYHNUSTTD-CYBMUJFWSA-N -1 3 303.352 3.968 20 0 DHADHM C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cccc([O-])c1Cl ZINC000508501338 340245057 /nfs/dbraw/zinc/24/50/57/340245057.db2.gz AVGOUBYZZCZQDX-LBPRGKRZSA-N -1 3 305.805 3.814 20 0 DHADHM [O-]c1ccc(F)c(CN2CCSC3(CCCCC3)C2)c1F ZINC000508794088 340253318 /nfs/dbraw/zinc/25/33/18/340253318.db2.gz IRRWRXBVMGNPQC-UHFFFAOYSA-N -1 3 313.413 3.922 20 0 DHADHM Cc1cc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000508994323 340257548 /nfs/dbraw/zinc/25/75/48/340257548.db2.gz CZTMMPUCMGPJDO-NSHDSACASA-N -1 3 321.779 3.913 20 0 DHADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1CCCC(F)(F)C1 ZINC000509102410 340261419 /nfs/dbraw/zinc/26/14/19/340261419.db2.gz FQPCWKXCCMHBEG-SNVBAGLBSA-N -1 3 305.394 3.701 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)Cc1ccc([O-])cc1Cl)CCC2 ZINC000509142033 340262220 /nfs/dbraw/zinc/26/22/20/340262220.db2.gz VEUHYQJONVMIRW-UHFFFAOYSA-N -1 3 315.800 3.876 20 0 DHADHM [O-]c1ccc(F)c(CNc2cccc(OC(F)F)c2)c1F ZINC000509148819 340262353 /nfs/dbraw/zinc/26/23/53/340262353.db2.gz DLFWRZVKGWQLAY-UHFFFAOYSA-N -1 3 301.239 3.884 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(c3ccc(F)cc3)CC2)c1F ZINC000509972174 340284368 /nfs/dbraw/zinc/28/43/68/340284368.db2.gz WHFBAGICWGVOFX-UHFFFAOYSA-N -1 3 307.315 3.631 20 0 DHADHM COc1cccc(C(=O)NCCc2cccc3ccccc32)c1[O-] ZINC000302933753 340287768 /nfs/dbraw/zinc/28/77/68/340287768.db2.gz HUZAPUGRUCNGBY-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccccc2OC2CCC2)c1F ZINC000511074353 340320098 /nfs/dbraw/zinc/32/00/98/340320098.db2.gz UCTRNCJJKAQIJG-UHFFFAOYSA-N -1 3 319.351 3.892 20 0 DHADHM Cc1cccc([C@H]([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F)c1 ZINC000511708975 340335595 /nfs/dbraw/zinc/33/55/95/340335595.db2.gz VXUUZYYSMBHJGZ-WPRPVWTQSA-N -1 3 313.241 3.913 20 0 DHADHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)s1 ZINC000511860478 340340821 /nfs/dbraw/zinc/34/08/21/340340821.db2.gz CGOIPYBJHJNDGY-VIFPVBQESA-N -1 3 320.805 3.554 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000172882520 340345546 /nfs/dbraw/zinc/34/55/46/340345546.db2.gz DAWLRVDEZDRFTK-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000521047174 340479442 /nfs/dbraw/zinc/47/94/42/340479442.db2.gz RFHPNXIZTKKBSG-SNVBAGLBSA-N -1 3 310.246 3.850 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000185580459 340503084 /nfs/dbraw/zinc/50/30/84/340503084.db2.gz GRARTROKBVEARI-OAHLLOKOSA-N -1 3 313.294 3.795 20 0 DHADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ccco1 ZINC000191841380 340559479 /nfs/dbraw/zinc/55/94/79/340559479.db2.gz DNPGWLOTIMYKTN-UHFFFAOYSA-N -1 3 311.322 3.797 20 0 DHADHM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523433972 340623872 /nfs/dbraw/zinc/62/38/72/340623872.db2.gz DSCTXAIFNKSQLI-DZGCQCFKSA-N -1 3 308.397 3.689 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC000232202353 340630491 /nfs/dbraw/zinc/63/04/91/340630491.db2.gz CVXOILLGOKTDDW-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000525241097 340696698 /nfs/dbraw/zinc/69/66/98/340696698.db2.gz GMTDAJSGPJKRPU-KSSFIOAISA-N -1 3 313.784 3.888 20 0 DHADHM Cc1nc2ccccc2n1Cc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000322243967 340703822 /nfs/dbraw/zinc/70/38/22/340703822.db2.gz JSDPWTJXQFXRSA-UHFFFAOYSA-N -1 3 324.409 3.720 20 0 DHADHM Cc1cocc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000528428248 340718342 /nfs/dbraw/zinc/71/83/42/340718342.db2.gz ZFAAZQLBAKSJRO-UHFFFAOYSA-N -1 3 305.403 3.815 20 0 DHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC12CC2 ZINC000528873089 340737729 /nfs/dbraw/zinc/73/77/29/340737729.db2.gz ADFWOCJLGKRJBH-CYBMUJFWSA-N -1 3 313.319 3.834 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c1[O-] ZINC000124725297 340800666 /nfs/dbraw/zinc/80/06/66/340800666.db2.gz QESJYNDZTSMZDL-UHFFFAOYSA-N -1 3 313.397 3.760 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000126363735 340826411 /nfs/dbraw/zinc/82/64/11/340826411.db2.gz FXDXLWPAOQKGKB-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])cc1 ZINC000126963885 340840072 /nfs/dbraw/zinc/84/00/72/340840072.db2.gz BEBZGDTVHXKOMH-QGZVFWFLSA-N -1 3 311.381 3.774 20 0 DHADHM CCCCn1ncc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000127320258 340849177 /nfs/dbraw/zinc/84/91/77/340849177.db2.gz HOGBFQPHQZZNKG-UHFFFAOYSA-N -1 3 301.390 3.566 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c([O-])c(C(C)C)c1 ZINC000539889834 340908388 /nfs/dbraw/zinc/90/83/88/340908388.db2.gz HVUCPOYXEXMVHQ-DZGCQCFKSA-N -1 3 319.445 3.936 20 0 DHADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)C(=O)c1cccc(F)c1 ZINC000128885519 340925560 /nfs/dbraw/zinc/92/55/60/340925560.db2.gz COFAWPAJDNKFPY-JTQLQIEISA-N -1 3 319.307 3.518 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc(Oc2ccncc2)c1 ZINC000129355760 340954314 /nfs/dbraw/zinc/95/43/14/340954314.db2.gz QNZYIMRKHLUGPS-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1 ZINC000129761319 340985850 /nfs/dbraw/zinc/98/58/50/340985850.db2.gz HSGZWPHJLUNMDK-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCc2ccccc21 ZINC000130000208 340992754 /nfs/dbraw/zinc/99/27/54/340992754.db2.gz HUYPSYRZGYFQMN-UHFFFAOYSA-N -1 3 301.773 3.568 20 0 DHADHM CCCn1c(=O)[n-]nc1S[C@H]1CCc2ccc(Cl)cc21 ZINC000543144688 341034254 /nfs/dbraw/zinc/03/42/54/341034254.db2.gz OWRYPPKCQWFEHP-LBPRGKRZSA-N -1 3 309.822 3.827 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(Cl)cn1 ZINC000131069464 341057777 /nfs/dbraw/zinc/05/77/77/341057777.db2.gz OBDOBWQKOUELJI-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(F)ccc1[O-] ZINC000131238114 341067460 /nfs/dbraw/zinc/06/74/60/341067460.db2.gz WKZZYFKQCJUBNH-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000132744486 341144490 /nfs/dbraw/zinc/14/44/90/341144490.db2.gz WNBODIYGUXEDSK-UONOGXRCSA-N -1 3 319.763 3.605 20 0 DHADHM C[C@H]1CCN(C(=O)Cc2ccc3c(c2)COC3)c2c([O-])cccc21 ZINC000545953211 341148229 /nfs/dbraw/zinc/14/82/29/341148229.db2.gz XTWWIHXOYPRBRW-ZDUSSCGKSA-N -1 3 323.392 3.505 20 0 DHADHM Cc1ccc(-c2nc([C@@H]3CCN(C)c4ccccc43)no2)c([O-])c1 ZINC000546351053 341164774 /nfs/dbraw/zinc/16/47/74/341164774.db2.gz CATVOSVQQKYOOO-CQSZACIVSA-N -1 3 321.380 3.722 20 0 DHADHM COc1ccc2cc(-c3nc(-c4ccc([O-])cc4)no3)[nH]c2c1 ZINC000547295621 341203752 /nfs/dbraw/zinc/20/37/52/341203752.db2.gz XNIJLEXWQILCLM-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCC1CCCCC1 ZINC000134284131 341212056 /nfs/dbraw/zinc/21/20/56/341212056.db2.gz QDFZYCZAILOLMC-UHFFFAOYSA-N -1 3 322.405 3.713 20 0 DHADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)c1cc2ccccc2o1 ZINC000547430309 341212731 /nfs/dbraw/zinc/21/27/31/341212731.db2.gz XMHFVRMOKNARJV-JTQLQIEISA-N -1 3 316.382 3.818 20 0 DHADHM COc1cccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000078243743 341238923 /nfs/dbraw/zinc/23/89/23/341238923.db2.gz JEERAMUXOJGMOI-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM Cn1ccc2c1cccc2NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000548046149 341244522 /nfs/dbraw/zinc/24/45/22/341244522.db2.gz PYTPFCVAOPMGJM-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM Cn1ccc2c1cccc2NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000548046149 341244523 /nfs/dbraw/zinc/24/45/23/341244523.db2.gz PYTPFCVAOPMGJM-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000080029615 341268804 /nfs/dbraw/zinc/26/88/04/341268804.db2.gz RJDHUKWYTQQEHO-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM Cc1ncc(Cl)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000548818736 341276815 /nfs/dbraw/zinc/27/68/15/341276815.db2.gz UBDYTBFVHZLFNI-UHFFFAOYSA-N -1 3 319.792 3.694 20 0 DHADHM COc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000081459016 341291621 /nfs/dbraw/zinc/29/16/21/341291621.db2.gz WLWFVWNWCJOFQV-UHFFFAOYSA-N -1 3 317.288 3.733 20 0 DHADHM Cc1ccccc1NCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000550699832 341321450 /nfs/dbraw/zinc/32/14/50/341321450.db2.gz ONMHUAGEHVVNOK-UHFFFAOYSA-N -1 3 304.777 3.795 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)c2c([O-])cccc21 ZINC000551960953 341356228 /nfs/dbraw/zinc/35/62/28/341356228.db2.gz DZPMZUUFUHQMMW-IUODEOHRSA-N -1 3 323.392 3.668 20 0 DHADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000084633680 341361334 /nfs/dbraw/zinc/36/13/34/341361334.db2.gz XDUHQANELWJPML-NSHDSACASA-N -1 3 303.333 3.672 20 0 DHADHM Cc1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)c([O-])c1 ZINC000248126185 341373562 /nfs/dbraw/zinc/37/35/62/341373562.db2.gz WZEMBOFMRIHDLP-OAHLLOKOSA-N -1 3 313.397 3.598 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000552433737 341393619 /nfs/dbraw/zinc/39/36/19/341393619.db2.gz ZVRKJSLHDNLJRY-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CC[C@H](C)Oc1cc(C(=O)Nc2c([O-])cccc2Cl)ccn1 ZINC000552783438 341404300 /nfs/dbraw/zinc/40/43/00/341404300.db2.gz WDSMJXCFUJNDRZ-JTQLQIEISA-N -1 3 320.776 3.870 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)c1 ZINC000094149224 341489791 /nfs/dbraw/zinc/48/97/91/341489791.db2.gz AYTRVRFDWWNLBA-UHFFFAOYSA-N -1 3 312.413 3.577 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC(Cc2ccccc2F)CC1 ZINC000565108386 341517501 /nfs/dbraw/zinc/51/75/01/341517501.db2.gz ZUEWKMNKAZJXCV-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262472054 341522823 /nfs/dbraw/zinc/52/28/23/341522823.db2.gz AGXQVGJFZPESCK-GOSISDBHSA-N -1 3 313.397 3.781 20 0 DHADHM O=C([O-])c1coc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000572848774 341706391 /nfs/dbraw/zinc/70/63/91/341706391.db2.gz ZIAMSQKVEWDCPF-UHFFFAOYSA-N -1 3 324.380 3.839 20 0 DHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174900618 341832930 /nfs/dbraw/zinc/83/29/30/341832930.db2.gz BMYCRBHXDJNAAM-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(CC1CCC1)c1ccccc1 ZINC000576476881 341848388 /nfs/dbraw/zinc/84/83/88/341848388.db2.gz PIRALBUKBFVQOX-UHFFFAOYSA-N -1 3 323.396 3.507 20 0 DHADHM COc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000576850171 341866315 /nfs/dbraw/zinc/86/63/15/341866315.db2.gz KVFRRKZTOGQVAF-UHFFFAOYSA-N -1 3 320.389 3.641 20 0 DHADHM Cn1cc(C(=O)Nc2c([O-])cccc2Cl)c2ccccc21 ZINC000577249363 341900209 /nfs/dbraw/zinc/90/02/09/341900209.db2.gz NEYKQJIERLMNAG-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1C ZINC000577545817 341916905 /nfs/dbraw/zinc/91/69/05/341916905.db2.gz HOTJXYPTPVZZAH-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cc3c(s2)CCCC3)c1F ZINC000577877396 341945912 /nfs/dbraw/zinc/94/59/12/341945912.db2.gz ZONVVCXDJYXZHJ-UHFFFAOYSA-N -1 3 309.381 3.901 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccsc2C)cc1 ZINC000417567746 518160153 /nfs/dbraw/zinc/16/01/53/518160153.db2.gz AQDIIQPAHCBTFX-MRXNPFEDSA-N -1 3 319.426 3.761 20 0 DHADHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000162584719 518189640 /nfs/dbraw/zinc/18/96/40/518189640.db2.gz HUGXNHORFPRDJL-GFCCVEGCSA-N -1 3 303.789 3.774 20 0 DHADHM C/C(=C/c1ccccc1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162686361 518416971 /nfs/dbraw/zinc/41/69/71/518416971.db2.gz XPTBFXBWWGQSBA-HJWRWDBZSA-N -1 3 307.699 3.744 20 0 DHADHM CCO[N-]C(=O)Nc1ccc(Cl)cc1-c1nc(C(C)C)no1 ZINC000364949686 520236980 /nfs/dbraw/zinc/23/69/80/520236980.db2.gz JSBKMPSVBCBBGS-UHFFFAOYSA-N -1 3 324.768 3.586 20 0 DHADHM CCC(CC)C(=O)Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000156709482 521482650 /nfs/dbraw/zinc/48/26/50/521482650.db2.gz FCYGKCZBTVWRIT-UHFFFAOYSA-N -1 3 320.458 3.830 20 0 DHADHM CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265646251 522331932 /nfs/dbraw/zinc/33/19/32/522331932.db2.gz LVQZRNBELTYFJH-YPMHNXCESA-N -1 3 305.447 3.798 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000283861479 534633695 /nfs/dbraw/zinc/63/36/95/534633695.db2.gz HRBROERBNNFQJB-LBPRGKRZSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cnccc1Oc1ccccc1 ZINC000337119271 523061490 /nfs/dbraw/zinc/06/14/90/523061490.db2.gz CIMXIZBAPQIPFF-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)C1CCCCC1 ZINC000338036225 524387802 /nfs/dbraw/zinc/38/78/02/524387802.db2.gz XGNLEHKJWILGHW-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)C1CCCCC1 ZINC000338036225 524387808 /nfs/dbraw/zinc/38/78/08/524387808.db2.gz XGNLEHKJWILGHW-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C1CCCCC1 ZINC000338036225 524387813 /nfs/dbraw/zinc/38/78/13/524387813.db2.gz XGNLEHKJWILGHW-NSHDSACASA-N -1 3 302.378 3.610 20 0 DHADHM COc1ccsc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000105954190 524878709 /nfs/dbraw/zinc/87/87/09/524878709.db2.gz LYSSGVJBSQRYMQ-UHFFFAOYSA-N -1 3 323.424 3.589 20 0 DHADHM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000365674871 524943699 /nfs/dbraw/zinc/94/36/99/524943699.db2.gz DJPRKBIEEAGEHH-MEDUHNTESA-N -1 3 316.788 3.664 20 0 DHADHM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000365644127 524957403 /nfs/dbraw/zinc/95/74/03/524957403.db2.gz QMLXKFKAMUVQMN-OAHLLOKOSA-N -1 3 317.772 3.608 20 0 DHADHM CSCCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000155765912 525404103 /nfs/dbraw/zinc/40/41/03/525404103.db2.gz HMOZBJXQODYATO-UHFFFAOYSA-N -1 3 321.364 3.787 20 0 DHADHM COc1ccc2c(c1)[C@H](NCc1cccc([O-])c1Cl)CCO2 ZINC000339363128 525589538 /nfs/dbraw/zinc/58/95/38/525589538.db2.gz RPUUHNFAYCWXQW-CQSZACIVSA-N -1 3 319.788 3.668 20 0 DHADHM Cc1ccc([C@H](c2ccccn2)N(C)CCCCC(=O)[O-])cc1 ZINC000367823500 525981153 /nfs/dbraw/zinc/98/11/53/525981153.db2.gz PGKTYHJFCCONOP-LJQANCHMSA-N -1 3 312.413 3.666 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000161626072 526176662 /nfs/dbraw/zinc/17/66/62/526176662.db2.gz OOCQRADEWCCHEV-GFCCVEGCSA-N -1 3 320.439 3.969 20 0 DHADHM Cc1coc(-c2ccc(C)c(NC(=O)[N-]OCC(C)C)c2)n1 ZINC000160998079 526271981 /nfs/dbraw/zinc/27/19/81/526271981.db2.gz SYZKEVVTFRWAHO-UHFFFAOYSA-N -1 3 303.362 3.668 20 0 DHADHM O=C(CCCCCc1ccc(F)cc1)[N-]OCc1cccnc1 ZINC000189224840 526424636 /nfs/dbraw/zinc/42/46/36/526424636.db2.gz LMESUJXOJOADRL-UHFFFAOYSA-N -1 3 316.376 3.572 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)[N-]OCC(C)C)c2)oc1C ZINC000159514461 526588969 /nfs/dbraw/zinc/58/89/69/526588969.db2.gz BRNKGTLSECJRDJ-UHFFFAOYSA-N -1 3 303.362 3.668 20 0 DHADHM O=C(CCc1ccc2ccccc2c1)[N-]OCCC(F)(F)F ZINC000162858530 526599397 /nfs/dbraw/zinc/59/93/97/526599397.db2.gz UIOGNDTVNMQTMG-UHFFFAOYSA-N -1 3 311.303 3.773 20 0 DHADHM Cc1ncc(CN(C)Cc2ccc([O-])c3nc(C)ccc23)s1 ZINC000338238436 527251873 /nfs/dbraw/zinc/25/18/73/527251873.db2.gz XZAKIJPIHMZHKG-UHFFFAOYSA-N -1 3 313.426 3.646 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1cccc(F)c1Cl ZINC000361349205 527533079 /nfs/dbraw/zinc/53/30/79/527533079.db2.gz SKIGOXRAMHTZKO-UHFFFAOYSA-N -1 3 307.684 3.521 20 0 DHADHM CC1CCN(c2ccc(NC([O-])=NOC/C=C/Cl)cc2)CC1 ZINC000289536724 535285860 /nfs/dbraw/zinc/28/58/60/535285860.db2.gz OXDHJMYQEUENGF-XNWCZRBMSA-N -1 3 323.824 3.729 20 0 DHADHM CC1CCN(c2ccc(NC(=O)[N-]OC/C=C/Cl)cc2)CC1 ZINC000289536724 535285866 /nfs/dbraw/zinc/28/58/66/535285866.db2.gz OXDHJMYQEUENGF-XNWCZRBMSA-N -1 3 323.824 3.729 20 0 DHADHM CC(C)OCCCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000273805887 535329019 /nfs/dbraw/zinc/32/90/19/535329019.db2.gz GVKJFRCSIWQWCH-UHFFFAOYSA-N -1 3 304.390 3.923 20 0 DHADHM CCSc1ccc(Cl)cc1NC(=O)[N-]OCCCOC ZINC000287064799 535737495 /nfs/dbraw/zinc/73/74/95/535737495.db2.gz RCMKOIVNZXWKJN-UHFFFAOYSA-N -1 3 318.826 3.542 20 0 DHADHM CC[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(OC)c(OC)c1 ZINC000286455538 535810032 /nfs/dbraw/zinc/81/00/32/535810032.db2.gz UMLDWLYIKHSYIN-GFCCVEGCSA-N -1 3 305.378 3.773 20 0 DHADHM CCc1c(NC([O-])=NOC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000297865699 536075896 /nfs/dbraw/zinc/07/58/96/536075896.db2.gz PRWUXPJIOLKGGT-UHFFFAOYSA-N -1 3 322.796 3.550 20 0 DHADHM CCc1c(NC(=O)[N-]OC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000297865699 536075898 /nfs/dbraw/zinc/07/58/98/536075898.db2.gz PRWUXPJIOLKGGT-UHFFFAOYSA-N -1 3 322.796 3.550 20 0 DHADHM CC(C)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735850612 598901395 /nfs/dbraw/zinc/90/13/95/598901395.db2.gz UGHAGFWQTYKHIK-UHFFFAOYSA-N -1 3 311.414 3.677 20 0 DHADHM CC(C)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735850612 598901396 /nfs/dbraw/zinc/90/13/96/598901396.db2.gz UGHAGFWQTYKHIK-UHFFFAOYSA-N -1 3 311.414 3.677 20 0 DHADHM Cc1ccc(C)c(Sc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737325764 598934730 /nfs/dbraw/zinc/93/47/30/598934730.db2.gz HVQOQYCROGMIIE-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM Cc1ccc(C)c(Sc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737325764 598934732 /nfs/dbraw/zinc/93/47/32/598934732.db2.gz HVQOQYCROGMIIE-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM Clc1cc(-c2nnn[n-]2)cnc1Oc1ccc2ccccc2c1 ZINC000737558540 598934778 /nfs/dbraw/zinc/93/47/78/598934778.db2.gz NCQQQSMXLFHHHK-UHFFFAOYSA-N -1 3 323.743 3.861 20 0 DHADHM Clc1cc(-c2nn[n-]n2)cnc1Oc1ccc2ccccc2c1 ZINC000737558540 598934780 /nfs/dbraw/zinc/93/47/80/598934780.db2.gz NCQQQSMXLFHHHK-UHFFFAOYSA-N -1 3 323.743 3.861 20 0 DHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736368990 598975452 /nfs/dbraw/zinc/97/54/52/598975452.db2.gz JKJKAXBNBOQFPY-OAHLLOKOSA-N -1 3 315.327 3.708 20 0 DHADHM CCc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736702460 598972967 /nfs/dbraw/zinc/97/29/67/598972967.db2.gz PPCVPIBOWPLBTI-UHFFFAOYSA-N -1 3 313.792 3.695 20 0 DHADHM CCc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736702460 598972969 /nfs/dbraw/zinc/97/29/69/598972969.db2.gz PPCVPIBOWPLBTI-UHFFFAOYSA-N -1 3 313.792 3.695 20 0 DHADHM Cc1cccc(F)c1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822308962 599068393 /nfs/dbraw/zinc/06/83/93/599068393.db2.gz LJXHEPCPCCZENC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(F)c1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822308962 599068396 /nfs/dbraw/zinc/06/83/96/599068396.db2.gz LJXHEPCPCCZENC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000822254768 607308213 /nfs/dbraw/zinc/30/82/13/607308213.db2.gz QQJUEUUYJRJZGC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000822254768 607308214 /nfs/dbraw/zinc/30/82/14/607308214.db2.gz QQJUEUUYJRJZGC-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000821134068 607312986 /nfs/dbraw/zinc/31/29/86/607312986.db2.gz MSKSPKRDYXZATC-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000821134068 607312987 /nfs/dbraw/zinc/31/29/87/607312987.db2.gz MSKSPKRDYXZATC-UHFFFAOYSA-N -1 3 323.400 3.576 20 0 DHADHM CCc1ccc(CC)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821481125 607319301 /nfs/dbraw/zinc/31/93/01/607319301.db2.gz HWZUDAGWSIMVLK-UHFFFAOYSA-N -1 3 313.430 3.665 20 0 DHADHM C[C@H](Sc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192234 599285095 /nfs/dbraw/zinc/28/50/95/599285095.db2.gz KQUKZGKJVYCARZ-JTQLQIEISA-N -1 3 322.397 3.596 20 0 DHADHM C[C@H](Sc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192234 599285096 /nfs/dbraw/zinc/28/50/96/599285096.db2.gz KQUKZGKJVYCARZ-JTQLQIEISA-N -1 3 322.397 3.596 20 0 DHADHM Cc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737330391 598237401 /nfs/dbraw/zinc/23/74/01/598237401.db2.gz JIYIDSJHBZSBCG-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737330391 598237402 /nfs/dbraw/zinc/23/74/02/598237402.db2.gz JIYIDSJHBZSBCG-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737321336 598240847 /nfs/dbraw/zinc/24/08/47/598240847.db2.gz UBTIPSWFMXKVTH-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737389631 598240907 /nfs/dbraw/zinc/24/09/07/598240907.db2.gz LUUVYJCNWRZZFO-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737389631 598240908 /nfs/dbraw/zinc/24/09/08/598240908.db2.gz LUUVYJCNWRZZFO-HNNXBMFYSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccc(N(Cc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000737354042 598251782 /nfs/dbraw/zinc/25/17/82/598251782.db2.gz ZSDKTEDJBHPPIX-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1ccc(N(Cc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737354042 598251784 /nfs/dbraw/zinc/25/17/84/598251784.db2.gz ZSDKTEDJBHPPIX-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735762020 598494799 /nfs/dbraw/zinc/49/47/99/598494799.db2.gz TYJGALMXRRYFLY-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735762020 598494801 /nfs/dbraw/zinc/49/48/01/598494801.db2.gz TYJGALMXRRYFLY-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM Cc1ccc(C)c(SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737327177 598643016 /nfs/dbraw/zinc/64/30/16/598643016.db2.gz WPANPPYOQGUGPC-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1ccc(C)c(SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737327177 598643018 /nfs/dbraw/zinc/64/30/18/598643018.db2.gz WPANPPYOQGUGPC-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1ccccc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737430975 598646053 /nfs/dbraw/zinc/64/60/53/598646053.db2.gz BKOPOEDIHODKSK-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccccc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737430975 598646054 /nfs/dbraw/zinc/64/60/54/598646054.db2.gz BKOPOEDIHODKSK-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736066858 598655446 /nfs/dbraw/zinc/65/54/46/598655446.db2.gz RBAWDUFWIPGZEE-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@H](Cc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736066858 598655447 /nfs/dbraw/zinc/65/54/47/598655447.db2.gz RBAWDUFWIPGZEE-SECBINFHSA-N -1 3 319.821 3.625 20 0 DHADHM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194908 598814247 /nfs/dbraw/zinc/81/42/47/598814247.db2.gz DUNCBWJNYHKWPK-LBPRGKRZSA-N -1 3 319.368 3.810 20 0 DHADHM CC(C)Oc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735912721 599323267 /nfs/dbraw/zinc/32/32/67/599323267.db2.gz BQHBAYFCGYBMAM-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735912721 599323269 /nfs/dbraw/zinc/32/32/69/599323269.db2.gz BQHBAYFCGYBMAM-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM Clc1ccc(Cl)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737577142 599323902 /nfs/dbraw/zinc/32/39/02/599323902.db2.gz UHVKWCDHAUYHMC-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM C[C@@H](Nc1cccc2c1ccn2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136616 599324706 /nfs/dbraw/zinc/32/47/06/599324706.db2.gz IDRRTEXSLXYGAL-GFCCVEGCSA-N -1 3 318.384 3.532 20 0 DHADHM C[C@@H](Nc1cccc2c1ccn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136616 599324709 /nfs/dbraw/zinc/32/47/09/599324709.db2.gz IDRRTEXSLXYGAL-GFCCVEGCSA-N -1 3 318.384 3.532 20 0 DHADHM Cc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737478624 599326575 /nfs/dbraw/zinc/32/65/75/599326575.db2.gz WZUFTIRJPJBKCL-SECBINFHSA-N -1 3 317.443 3.626 20 0 DHADHM Cc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737478624 599326578 /nfs/dbraw/zinc/32/65/78/599326578.db2.gz WZUFTIRJPJBKCL-SECBINFHSA-N -1 3 317.443 3.626 20 0 DHADHM CCCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821143044 599362613 /nfs/dbraw/zinc/36/26/13/599362613.db2.gz PNDMLQHZAZWQBZ-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM CCCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821143044 599362614 /nfs/dbraw/zinc/36/26/14/599362614.db2.gz PNDMLQHZAZWQBZ-ZDUSSCGKSA-N -1 3 307.401 3.992 20 0 DHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821383277 599373937 /nfs/dbraw/zinc/37/39/37/599373937.db2.gz AQRTUWOGGUWOFS-ZDUSSCGKSA-N -1 3 323.400 3.576 20 0 DHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821383277 599373940 /nfs/dbraw/zinc/37/39/40/599373940.db2.gz AQRTUWOGGUWOFS-ZDUSSCGKSA-N -1 3 323.400 3.576 20 0 DHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@H]1CCc2ccccc21 ZINC000822582850 599468263 /nfs/dbraw/zinc/46/82/63/599468263.db2.gz YROOLGWVDHIOFQ-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@H]1CCc2ccccc21 ZINC000822582850 599468265 /nfs/dbraw/zinc/46/82/65/599468265.db2.gz YROOLGWVDHIOFQ-AWEZNQCLSA-N -1 3 311.776 3.620 20 0 DHADHM CCc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000821487823 599477392 /nfs/dbraw/zinc/47/73/92/599477392.db2.gz YNOXQDHXHFZETA-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM CCc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000821487823 599477394 /nfs/dbraw/zinc/47/73/94/599477394.db2.gz YNOXQDHXHFZETA-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1 ZINC000736389772 599522408 /nfs/dbraw/zinc/52/24/08/599522408.db2.gz FKLDLEGYPVPTJD-OAHLLOKOSA-N -1 3 324.409 3.620 20 0 DHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000736389772 599522410 /nfs/dbraw/zinc/52/24/10/599522410.db2.gz FKLDLEGYPVPTJD-OAHLLOKOSA-N -1 3 324.409 3.620 20 0 DHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737424857 599529321 /nfs/dbraw/zinc/52/93/21/599529321.db2.gz YCOFDPNLPHFNND-HOCLYGCPSA-N -1 3 319.412 3.558 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821950928 599562621 /nfs/dbraw/zinc/56/26/21/599562621.db2.gz SINMGXRDTWUWGU-UWVGGRQHSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@H]1CCC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821950928 599562622 /nfs/dbraw/zinc/56/26/22/599562622.db2.gz SINMGXRDTWUWGU-UWVGGRQHSA-N -1 3 323.853 3.606 20 0 DHADHM CCCCC[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821050971 599622967 /nfs/dbraw/zinc/62/29/67/599622967.db2.gz WBYVGUIWMQFNIN-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM CCCCC[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000821050971 599622968 /nfs/dbraw/zinc/62/29/68/599622968.db2.gz WBYVGUIWMQFNIN-CYBMUJFWSA-N -1 3 316.405 3.516 20 0 DHADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000738718116 599792019 /nfs/dbraw/zinc/79/20/19/599792019.db2.gz XFQCFHGUWKCNKQ-OAHLLOKOSA-N -1 3 323.314 3.929 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000572889132 600083774 /nfs/dbraw/zinc/08/37/74/600083774.db2.gz AQKIPLWSOHVXQJ-GFCCVEGCSA-N -1 3 317.360 3.726 20 0 DHADHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737194670 600419379 /nfs/dbraw/zinc/41/93/79/600419379.db2.gz GWMRGOVJKVOOCY-PXAZEXFGSA-N -1 3 317.360 3.701 20 0 DHADHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000277111721 600425214 /nfs/dbraw/zinc/42/52/14/600425214.db2.gz ALQSIMVXCWXHRQ-KRWDZBQOSA-N -1 3 317.360 3.528 20 0 DHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737886299 600427927 /nfs/dbraw/zinc/42/79/27/600427927.db2.gz NAKWYSKRWABEKM-MRXNPFEDSA-N -1 3 319.788 3.573 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000739506363 600429358 /nfs/dbraw/zinc/42/93/58/600429358.db2.gz FQSBLQGSVPAYEV-HOCLYGCPSA-N -1 3 317.385 3.778 20 0 DHADHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951510 600429901 /nfs/dbraw/zinc/42/99/01/600429901.db2.gz WLVKHLUWIRGYOH-ZBEGNZNMSA-N -1 3 319.788 3.825 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1ccc2ccccc2n1 ZINC000822741528 607455239 /nfs/dbraw/zinc/45/52/39/607455239.db2.gz YKACEZWKIIGTGB-CLFYSBASSA-N -1 3 317.327 3.724 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1ccc2ccccc2n1 ZINC000822741528 607455241 /nfs/dbraw/zinc/45/52/41/607455241.db2.gz YKACEZWKIIGTGB-CLFYSBASSA-N -1 3 317.327 3.724 20 0 DHADHM Cc1oc(CN(C)CCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000574525020 600643319 /nfs/dbraw/zinc/64/33/19/600643319.db2.gz MSGMWGHXCXRWCF-UHFFFAOYSA-N -1 3 307.777 3.614 20 0 DHADHM C[C@H]1CCN(Cc2ccoc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000652429724 601118005 /nfs/dbraw/zinc/11/80/05/601118005.db2.gz OVLIXPCUHZYNNS-NHYWBVRUSA-N -1 3 303.333 3.700 20 0 DHADHM C/C(=C/CN1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825740860 601162999 /nfs/dbraw/zinc/16/29/99/601162999.db2.gz CHUXRASTLAXZHT-MSKHEQNASA-N -1 3 313.319 3.873 20 0 DHADHM Cc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000832871694 601370360 /nfs/dbraw/zinc/37/03/60/601370360.db2.gz VOVQORFIRKTYGI-ZBEGNZNMSA-N -1 3 305.324 3.750 20 0 DHADHM C[C@@H](c1ccco1)N(CCOc1cccc(C(=O)[O-])c1)C1CC1 ZINC000570168702 601610734 /nfs/dbraw/zinc/61/07/34/601610734.db2.gz HCLASGHQSOCACH-ZDUSSCGKSA-N -1 3 315.369 3.582 20 0 DHADHM CCc1ccc([C@H](C)NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000318874439 601613922 /nfs/dbraw/zinc/61/39/22/601613922.db2.gz QPHCPSQWQWMQFZ-LBPRGKRZSA-N -1 3 301.361 3.937 20 0 DHADHM O=C([O-])c1sccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000577617940 601808665 /nfs/dbraw/zinc/80/86/65/601808665.db2.gz UETVPSOAQHPASD-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM CCc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])o1 ZINC000565662470 601827500 /nfs/dbraw/zinc/82/75/00/601827500.db2.gz BORFBTGCRXGNNM-CYBMUJFWSA-N -1 3 305.399 3.939 20 0 DHADHM Cc1cccnc1[C@H](NCc1ccsc1C(=O)[O-])C(C)C ZINC000832983917 601828130 /nfs/dbraw/zinc/82/81/30/601828130.db2.gz QKLGNYCFIMXAPR-CYBMUJFWSA-N -1 3 304.415 3.637 20 0 DHADHM O=C([O-])CC1(NCc2cc(-c3cccs3)on2)CCCCC1 ZINC000833205497 601883890 /nfs/dbraw/zinc/88/38/90/601883890.db2.gz ASJFTSBWWSGPOA-UHFFFAOYSA-N -1 3 320.414 3.670 20 0 DHADHM O=C([O-])c1ccc(CN(Cc2ccco2)C2CCCC2)s1 ZINC000519759132 601941860 /nfs/dbraw/zinc/94/18/60/601941860.db2.gz LUMSZRYRGUJTRN-UHFFFAOYSA-N -1 3 305.399 3.984 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000833313516 601942450 /nfs/dbraw/zinc/94/24/50/601942450.db2.gz YBUQYZPVSMZQAU-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM Cn1cccc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])s1 ZINC000833059775 601962031 /nfs/dbraw/zinc/96/20/31/601962031.db2.gz WTXIQRWQDIGTBK-CQSZACIVSA-N -1 3 304.415 3.512 20 0 DHADHM COc1ccc2c(c1)nccc2NCc1ccc(C(=O)[O-])cc1 ZINC000832487106 602249489 /nfs/dbraw/zinc/24/94/89/602249489.db2.gz QXZXFWDQCOOKSM-UHFFFAOYSA-N -1 3 308.337 3.554 20 0 DHADHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000739029151 602451486 /nfs/dbraw/zinc/45/14/86/602451486.db2.gz SXAWZEUBCOPBBT-NEPJUHHUSA-N -1 3 310.825 3.769 20 0 DHADHM C[C@@H](Oc1ccc(CN(C)[C@@H](C)c2cccs2)cc1)C(=O)[O-] ZINC000833537735 604541680 /nfs/dbraw/zinc/54/16/80/604541680.db2.gz OKEKDSYQLRWQFD-QWHCGFSZSA-N -1 3 319.426 3.793 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000122813420 604938641 /nfs/dbraw/zinc/93/86/41/604938641.db2.gz DNGORTNXJAYHGR-LBPRGKRZSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])c1cccc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000833783380 605144186 /nfs/dbraw/zinc/14/41/86/605144186.db2.gz AREWYAQGSVVBRR-UHFFFAOYSA-N -1 3 301.773 3.817 20 0 DHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1csc2ccccc12 ZINC000820457251 606077002 /nfs/dbraw/zinc/07/70/02/606077002.db2.gz ZDPNUWLJGCZDKZ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1csc2ccccc12 ZINC000820457251 606077005 /nfs/dbraw/zinc/07/70/05/606077005.db2.gz ZDPNUWLJGCZDKZ-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM CC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820925740 606103468 /nfs/dbraw/zinc/10/34/68/606103468.db2.gz LDMTUZUTOVKNNY-SECBINFHSA-N -1 3 320.809 3.540 20 0 DHADHM CC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820925740 606103469 /nfs/dbraw/zinc/10/34/69/606103469.db2.gz LDMTUZUTOVKNNY-SECBINFHSA-N -1 3 320.809 3.540 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821039097 606264641 /nfs/dbraw/zinc/26/46/41/606264641.db2.gz AGYTUMIZCWHEKJ-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821039097 606264644 /nfs/dbraw/zinc/26/46/44/606264644.db2.gz AGYTUMIZCWHEKJ-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000822351947 606458886 /nfs/dbraw/zinc/45/88/86/606458886.db2.gz RVMLATYWNHOOTJ-INIZCTEOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000822351947 606458888 /nfs/dbraw/zinc/45/88/88/606458888.db2.gz RVMLATYWNHOOTJ-INIZCTEOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1cccc(C(C)C)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822288685 606638727 /nfs/dbraw/zinc/63/87/27/606638727.db2.gz GHMTVDRZRNTLPG-UHFFFAOYSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1cccc(C(C)C)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822288685 606638728 /nfs/dbraw/zinc/63/87/28/606638728.db2.gz GHMTVDRZRNTLPG-UHFFFAOYSA-N -1 3 307.401 3.911 20 0 DHADHM CC(C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820136883 606706530 /nfs/dbraw/zinc/70/65/30/606706530.db2.gz CXKLXBULPXNDES-UHFFFAOYSA-N -1 3 313.336 3.618 20 0 DHADHM CC(C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820136883 606706531 /nfs/dbraw/zinc/70/65/31/606706531.db2.gz CXKLXBULPXNDES-UHFFFAOYSA-N -1 3 313.336 3.618 20 0 DHADHM C[C@@H](SCCCOC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550606 606849255 /nfs/dbraw/zinc/84/92/55/606849255.db2.gz XLDWQHNTYRJRFO-GFCCVEGCSA-N -1 3 320.462 3.866 20 0 DHADHM C[C@@H](SCCCOC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550606 606849257 /nfs/dbraw/zinc/84/92/57/606849257.db2.gz XLDWQHNTYRJRFO-GFCCVEGCSA-N -1 3 320.462 3.866 20 0 DHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000822258850 606928065 /nfs/dbraw/zinc/92/80/65/606928065.db2.gz FCJCGTDLHHWZOL-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000822258850 606928066 /nfs/dbraw/zinc/92/80/66/606928066.db2.gz FCJCGTDLHHWZOL-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Fc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822782922 607038680 /nfs/dbraw/zinc/03/86/80/607038680.db2.gz MAZGFOXIMTVISN-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822782922 607038681 /nfs/dbraw/zinc/03/86/81/607038681.db2.gz MAZGFOXIMTVISN-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM FC1(F)CCC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000822737400 607131122 /nfs/dbraw/zinc/13/11/22/607131122.db2.gz UALIAUPJSWLHLU-QMMMGPOBSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000822737400 607131124 /nfs/dbraw/zinc/13/11/24/607131124.db2.gz UALIAUPJSWLHLU-QMMMGPOBSA-N -1 3 313.739 3.510 20 0 DHADHM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821455377 607234883 /nfs/dbraw/zinc/23/48/83/607234883.db2.gz JWHNTEIIEWLKRZ-QWHCGFSZSA-N -1 3 323.853 3.606 20 0 DHADHM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821455377 607234884 /nfs/dbraw/zinc/23/48/84/607234884.db2.gz JWHNTEIIEWLKRZ-QWHCGFSZSA-N -1 3 323.853 3.606 20 0 DHADHM Cc1ccccc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000826308190 608672368 /nfs/dbraw/zinc/67/23/68/608672368.db2.gz NVMQIIJSOLDGQV-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccccc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000826308190 608672371 /nfs/dbraw/zinc/67/23/71/608672371.db2.gz NVMQIIJSOLDGQV-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CSc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826231052 609161523 /nfs/dbraw/zinc/16/15/23/609161523.db2.gz UZNPVIMOHQGIEX-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CSc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826231052 609161524 /nfs/dbraw/zinc/16/15/24/609161524.db2.gz UZNPVIMOHQGIEX-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825717607 609249194 /nfs/dbraw/zinc/24/91/94/609249194.db2.gz NRHSQDDFWQJUTJ-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825717607 609249196 /nfs/dbraw/zinc/24/91/96/609249196.db2.gz NRHSQDDFWQJUTJ-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1F ZINC000826299624 609255415 /nfs/dbraw/zinc/25/54/15/609255415.db2.gz NDOIWHGUXKAUFE-OAHLLOKOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC000826299624 609255417 /nfs/dbraw/zinc/25/54/17/609255417.db2.gz NDOIWHGUXKAUFE-OAHLLOKOSA-N -1 3 323.375 3.804 20 0 DHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650625 609273265 /nfs/dbraw/zinc/27/32/65/609273265.db2.gz UBNCJRDIDKYTGD-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650625 609273266 /nfs/dbraw/zinc/27/32/66/609273266.db2.gz UBNCJRDIDKYTGD-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CSc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826231675 609310809 /nfs/dbraw/zinc/31/08/09/609310809.db2.gz VJUFIBWGNCKBGS-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824754688 609310797 /nfs/dbraw/zinc/31/07/97/609310797.db2.gz JMGRPFPKIIRYNW-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824754688 609310798 /nfs/dbraw/zinc/31/07/98/609310798.db2.gz JMGRPFPKIIRYNW-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM CSc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826231675 609310811 /nfs/dbraw/zinc/31/08/11/609310811.db2.gz VJUFIBWGNCKBGS-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM c1ccc([C@H](CC2CCC2)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826520181 609321616 /nfs/dbraw/zinc/32/16/16/609321616.db2.gz BYLWVKBDGONIIZ-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@H](CC2CCC2)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826520181 609321617 /nfs/dbraw/zinc/32/16/17/609321617.db2.gz BYLWVKBDGONIIZ-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM Fc1c(CNc2cccc(C(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826370861 609479329 /nfs/dbraw/zinc/47/93/29/609479329.db2.gz JXVUFUVCVWUQEM-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM Fc1c(CNc2cccc(C(F)F)c2)cccc1-c1nn[n-]n1 ZINC000826370861 609479332 /nfs/dbraw/zinc/47/93/32/609479332.db2.gz JXVUFUVCVWUQEM-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM Cc1ccnc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311583 609562317 /nfs/dbraw/zinc/56/23/17/609562317.db2.gz ISBCNZBKGPDDLA-HNNXBMFYSA-N -1 3 320.400 3.523 20 0 DHADHM Cc1ccnc(N[C@@H](CC2CC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311583 609562320 /nfs/dbraw/zinc/56/23/20/609562320.db2.gz ISBCNZBKGPDDLA-HNNXBMFYSA-N -1 3 320.400 3.523 20 0 DHADHM O=C([O-])C1(NCc2nc(Cl)ccc2Cl)CCCCCC1 ZINC001601721643 971045070 /nfs/dbraw/zinc/04/50/70/971045070.db2.gz HXJNZWLMAKTVTM-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM CCc1ccc(C(=O)CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777964849 1032058874 /nfs/dbraw/zinc/05/88/74/1032058874.db2.gz NWVUSOSMEMXXDT-UHFFFAOYSA-N -1 3 303.402 3.592 20 0 DHADHM Cc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000822289036 946044631 /nfs/dbraw/zinc/04/46/31/946044631.db2.gz PVEHHYCEDQNCRN-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000822289036 946044644 /nfs/dbraw/zinc/04/46/44/946044644.db2.gz PVEHHYCEDQNCRN-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825735681 947304107 /nfs/dbraw/zinc/30/41/07/947304107.db2.gz SKWQXRWMIFGGGD-STQMWFEESA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825735681 947304119 /nfs/dbraw/zinc/30/41/19/947304119.db2.gz SKWQXRWMIFGGGD-STQMWFEESA-N -1 3 307.401 3.731 20 0 DHADHM Cc1nc2ccccc2c(C)c1CC(=O)[N-]OC1CCCCC1 ZINC000777964265 1032059549 /nfs/dbraw/zinc/05/95/49/1032059549.db2.gz PHSAWPNRDWSWBM-UHFFFAOYSA-N -1 3 312.413 3.775 20 0 DHADHM CC(=O)[C@H](Sc1ccc(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573365516 947731521 /nfs/dbraw/zinc/73/15/21/947731521.db2.gz MLKPGZFEUGELID-INIZCTEOSA-N -1 3 324.409 3.598 20 0 DHADHM CC(=O)[C@H](Sc1ccc(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573365516 947731527 /nfs/dbraw/zinc/73/15/27/947731527.db2.gz MLKPGZFEUGELID-INIZCTEOSA-N -1 3 324.409 3.598 20 0 DHADHM CC[C@@H](CSC)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381743811 971774508 /nfs/dbraw/zinc/77/45/08/971774508.db2.gz UYCLMKXWNDPMRJ-NSHDSACASA-N -1 3 301.839 3.612 20 0 DHADHM CCOc1ccccc1OCCCC(=O)[N-]OC1CCCCC1 ZINC000777964251 1032060648 /nfs/dbraw/zinc/06/06/48/1032060648.db2.gz OXQBSIDFPBIUKP-UHFFFAOYSA-N -1 3 321.417 3.625 20 0 DHADHM O=C([O-])[C@H](NCc1cccs1)c1ccccc1C(F)(F)F ZINC000037966633 957340881 /nfs/dbraw/zinc/34/08/81/957340881.db2.gz ZRXHSKKTBSBZEY-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc2cccnc12 ZINC001594304390 957951245 /nfs/dbraw/zinc/95/12/45/957951245.db2.gz KLHDKKZQMYESPA-GOSISDBHSA-N -1 3 324.355 3.598 20 0 DHADHM O=C([O-])c1csc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000095005278 958328640 /nfs/dbraw/zinc/32/86/40/958328640.db2.gz ISQZZCUOZUMDNN-UHFFFAOYSA-N -1 3 315.316 3.755 20 0 DHADHM Cc1ccc([C@@H](NCCC2(C(=O)[O-])CCC2)c2ccccn2)cc1 ZINC001594351461 958359913 /nfs/dbraw/zinc/35/99/13/958359913.db2.gz IVTCHJBJSOCMTC-GOSISDBHSA-N -1 3 324.424 3.714 20 0 DHADHM C[C@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129368490 958699445 /nfs/dbraw/zinc/69/94/45/958699445.db2.gz SOXQKXIVKFMSDG-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM CSCc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC001594188185 959140832 /nfs/dbraw/zinc/14/08/32/959140832.db2.gz OPYPRQMRHNRMCE-UHFFFAOYSA-N -1 3 301.411 3.538 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1O ZINC000086170836 1013235094 /nfs/dbraw/zinc/23/50/94/1013235094.db2.gz KUQAJCBTNXGOII-MDZDMXLPSA-N -1 3 323.801 3.767 20 0 DHADHM C[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001332232497 961541920 /nfs/dbraw/zinc/54/19/20/961541920.db2.gz QLJOJLWIUCXQRQ-WCQYABFASA-N -1 3 321.726 3.740 20 0 DHADHM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000519492951 1013331646 /nfs/dbraw/zinc/33/16/46/1013331646.db2.gz CLCSAMOHAYPHFE-UHFFFAOYSA-N -1 3 322.257 3.852 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263411603 962578377 /nfs/dbraw/zinc/57/83/77/962578377.db2.gz LOWIWAGNLIESMG-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](CCC(C)C)C(C)(C)C)s1 ZINC001209727664 1013367513 /nfs/dbraw/zinc/36/75/13/1013367513.db2.gz WSQFBHMOUQPSJU-LBPRGKRZSA-N -1 3 318.508 3.581 20 0 DHADHM Cc1ccc(F)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000277121216 962847097 /nfs/dbraw/zinc/84/70/97/962847097.db2.gz AZBSSJMAMNHSRL-CXAGYDPISA-N -1 3 301.361 3.686 20 0 DHADHM C[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366589 1013380497 /nfs/dbraw/zinc/38/04/97/1013380497.db2.gz BZKGGAWNOGWHIV-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1csc(Br)c1 ZINC000340328678 1013498443 /nfs/dbraw/zinc/49/84/43/1013498443.db2.gz JGFMGQDHEYMFIX-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM CC(C)OCc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000340329512 1013498508 /nfs/dbraw/zinc/49/85/08/1013498508.db2.gz JJYSUHUHLORDBI-UHFFFAOYSA-N -1 3 303.333 3.709 20 0 DHADHM CN(C)C(=O)c1cc(Nc2ccc([O-])c(Cl)c2)ccc1F ZINC001211856465 1013543305 /nfs/dbraw/zinc/54/33/05/1013543305.db2.gz YQOTXQDIBSWPLP-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)cc1Cl ZINC000155435271 1013550388 /nfs/dbraw/zinc/55/03/88/1013550388.db2.gz WMOFDMFBSBKWCY-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)cc1Cl ZINC000155435271 1013550396 /nfs/dbraw/zinc/55/03/96/1013550396.db2.gz WMOFDMFBSBKWCY-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM Cc1csc(C2(NC(=O)c3cc([O-])ccc3Cl)CCC2)n1 ZINC000340388561 1013556901 /nfs/dbraw/zinc/55/69/01/1013556901.db2.gz KJVXZRMVJIELQN-UHFFFAOYSA-N -1 3 322.817 3.620 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1ncccc1Oc1ccccc1 ZINC000441064947 1013658471 /nfs/dbraw/zinc/65/84/71/1013658471.db2.gz INSAPSDFGDBNQE-UHFFFAOYSA-N -1 3 323.352 3.985 20 0 DHADHM Cc1ccc(C(=O)N(C)CCc2ccc(Cl)cc2)c([O-])c1 ZINC000113122125 1013770322 /nfs/dbraw/zinc/77/03/22/1013770322.db2.gz APBHPDITTXVDRG-UHFFFAOYSA-N -1 3 303.789 3.669 20 0 DHADHM Cc1c(C(=O)[N-]c2c(F)cccc2F)oc2c1C(=O)CCC2 ZINC000042199709 1013861457 /nfs/dbraw/zinc/86/14/57/1013861457.db2.gz MNTORFXZJKCZDF-UHFFFAOYSA-N -1 3 305.280 3.638 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1[O-] ZINC000331332214 1013872024 /nfs/dbraw/zinc/87/20/24/1013872024.db2.gz HXLVOGZUGCPSNW-SUMWQHHRSA-N -1 3 323.392 3.613 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)CCC2CCCCC2)cc1[O-] ZINC000331330734 1013872339 /nfs/dbraw/zinc/87/23/39/1013872339.db2.gz HJNIKSNWHNETMM-UHFFFAOYSA-N -1 3 303.402 3.637 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)cc1[O-] ZINC000331333177 1013872421 /nfs/dbraw/zinc/87/24/21/1013872421.db2.gz ICSARPRHELFTPC-QGZVFWFLSA-N -1 3 323.392 3.533 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)cc(F)c2)c(F)c1 ZINC000340528894 1013918643 /nfs/dbraw/zinc/91/86/43/1013918643.db2.gz YUDWCGVZZRJXBQ-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM COc1cccc(/C(C)=C\C(=O)Nc2cccc([O-])c2F)c1 ZINC000255170650 1014037282 /nfs/dbraw/zinc/03/72/82/1014037282.db2.gz QAHVXJBNIWOMTH-LUAWRHEFSA-N -1 3 301.317 3.582 20 0 DHADHM CC[C@@H]1CCC[C@H](CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000394528979 972718274 /nfs/dbraw/zinc/71/82/74/972718274.db2.gz VZRZSULVNGQRQW-VKJFTORMSA-N -1 3 301.430 3.887 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC001605903343 972744534 /nfs/dbraw/zinc/74/45/34/972744534.db2.gz HVQQIPAMMSBXIP-SFHVURJKSA-N -1 3 313.372 3.620 20 0 DHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCc1c(Cl)cccc1Cl ZINC001603391627 973013050 /nfs/dbraw/zinc/01/30/50/973013050.db2.gz NBUBKFAYEWIKTE-GHMZBOCLSA-N -1 3 316.228 3.721 20 0 DHADHM CCOC(=O)c1sc2ncccc2c1[N-]c1nccs1 ZINC001210989880 1014100739 /nfs/dbraw/zinc/10/07/39/1014100739.db2.gz SPHUAKMHWDDDNJ-UHFFFAOYSA-N -1 3 305.384 3.673 20 0 DHADHM Cc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605397951 973378990 /nfs/dbraw/zinc/37/89/90/973378990.db2.gz ZDMBYRMNRBFNFD-KRWDZBQOSA-N -1 3 316.376 3.568 20 0 DHADHM O=C([O-])CCN[C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC001606196951 973448454 /nfs/dbraw/zinc/44/84/54/973448454.db2.gz YBRBDJMDYMBPTH-LJQANCHMSA-N -1 3 324.355 3.528 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC000379994150 1014203050 /nfs/dbraw/zinc/20/30/50/1014203050.db2.gz NGZSFFUFBBBJTQ-SECBINFHSA-N -1 3 307.337 3.609 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1ccccc1Cl ZINC000189730856 1014210693 /nfs/dbraw/zinc/21/06/93/1014210693.db2.gz ZKORVLSARGBYQQ-UHFFFAOYSA-N -1 3 308.211 3.856 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccccc1Cl ZINC000573379801 974764632 /nfs/dbraw/zinc/76/46/32/974764632.db2.gz RSJCKLJKQVGKRZ-NSHDSACASA-N -1 3 323.776 3.703 20 0 DHADHM CC(C)C[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000575810338 974802282 /nfs/dbraw/zinc/80/22/82/974802282.db2.gz MICRYZOKLJPPGF-AWEZNQCLSA-N -1 3 316.228 3.851 20 0 DHADHM Cc1cc(CN2CCC(c3ccsc3)CC2)oc1C(=O)[O-] ZINC000576472357 974815393 /nfs/dbraw/zinc/81/53/93/974815393.db2.gz DETMEDVILASWGJ-UHFFFAOYSA-N -1 3 305.399 3.727 20 0 DHADHM O=C([O-])[C@H]1CN(CCSC2CCCCC2)Cc2ccccc21 ZINC000593743634 974986084 /nfs/dbraw/zinc/98/60/84/974986084.db2.gz GPKNIXGDYRHHNQ-KRWDZBQOSA-N -1 3 319.470 3.736 20 0 DHADHM C[C@H]1CN(Cc2ccc(Oc3ccccc3)o2)CC[C@H]1C(=O)[O-] ZINC000625970641 975067058 /nfs/dbraw/zinc/06/70/58/975067058.db2.gz WLISMKNELBAUKA-XJKSGUPXSA-N -1 3 315.369 3.615 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]CC2CCCCCC2)sc1Cl ZINC001211865087 1014249594 /nfs/dbraw/zinc/24/95/94/1014249594.db2.gz GWBVFABWRMDRHM-UHFFFAOYSA-N -1 3 321.895 3.959 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2NC2CCC2)c1 ZINC000652788376 1014270138 /nfs/dbraw/zinc/27/01/38/1014270138.db2.gz WVOSUULLKXJDGB-UHFFFAOYSA-N -1 3 312.369 3.618 20 0 DHADHM Cc1cc([C@H](C)N2CCC([C@@H]3CCCCO3)CC2)oc1C(=O)[O-] ZINC000656770094 975705228 /nfs/dbraw/zinc/70/52/28/975705228.db2.gz XJHPPZQUHVUSNC-ZFWWWQNUSA-N -1 3 321.417 3.628 20 0 DHADHM O=C([O-])CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000665343034 975959148 /nfs/dbraw/zinc/95/91/48/975959148.db2.gz WKYXOAFYLYBLPZ-UHFFFAOYSA-N -1 3 322.474 3.878 20 0 DHADHM CC(C)c1cccc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591986258 976606971 /nfs/dbraw/zinc/60/69/71/976606971.db2.gz AFEZIIOVFYALOA-UHFFFAOYSA-N -1 3 301.361 3.937 20 0 DHADHM CC(C)c1ccccc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001591994557 976634355 /nfs/dbraw/zinc/63/43/55/976634355.db2.gz LHSCELAMDHEHDS-LJQANCHMSA-N -1 3 312.413 3.685 20 0 DHADHM O=C1Nc2ccccc2/C1=C/c1cc([O-])ccc1Br ZINC000178985488 1014382559 /nfs/dbraw/zinc/38/25/59/1014382559.db2.gz OQJMDBRYHWZZHJ-WQLSENKSSA-N -1 3 316.154 3.647 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1ccc(CF)cc1)c1cccc(F)c1 ZINC001592327523 977741054 /nfs/dbraw/zinc/74/10/54/977741054.db2.gz CEBHJEPVXAQIDV-SFHVURJKSA-N -1 3 319.351 3.775 20 0 DHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1c(F)cc(F)c(F)c1F ZINC001592444971 978107590 /nfs/dbraw/zinc/10/75/90/978107590.db2.gz HOEHOAZHECZDDA-QMMMGPOBSA-N -1 3 321.314 3.612 20 0 DHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1coc(-c2cccs2)n1 ZINC001592445902 978119136 /nfs/dbraw/zinc/11/91/36/978119136.db2.gz RBXRWOOBQMPIKS-LLVKDONJSA-N -1 3 322.430 3.772 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)[nH]c1C ZINC000729525489 1014477140 /nfs/dbraw/zinc/47/71/40/1014477140.db2.gz CFZPGFVJWPPQEB-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM O=C([O-])[C@@H](NCc1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000756349660 978698531 /nfs/dbraw/zinc/69/85/31/978698531.db2.gz MHSTTZYEIKUWQP-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM O=C([O-])C[C@H]1CCCCN1Cc1cc2ccccc2nc1Cl ZINC000844836409 979400622 /nfs/dbraw/zinc/40/06/22/979400622.db2.gz CHFTZWJEVNQNRW-CQSZACIVSA-N -1 3 318.804 3.717 20 0 DHADHM C[C@@H](COCC1CCCCC1)N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592776015 979402133 /nfs/dbraw/zinc/40/21/33/979402133.db2.gz OAFJNZDESVMTMU-STQMWFEESA-N -1 3 309.406 3.614 20 0 DHADHM COc1ccc2c(c1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000581147264 1014589634 /nfs/dbraw/zinc/58/96/34/1014589634.db2.gz DKTXXZQGGYOKNZ-UHFFFAOYSA-N -1 3 319.351 3.627 20 0 DHADHM CCCCOc1ccccc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000859806885 979637496 /nfs/dbraw/zinc/63/74/96/979637496.db2.gz PTBKLZMKUKHILD-INIZCTEOSA-N -1 3 317.429 3.552 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000872157396 980040554 /nfs/dbraw/zinc/04/05/54/980040554.db2.gz OMANCYRNWODOII-GFCCVEGCSA-N -1 3 318.442 3.960 20 0 DHADHM CC(C)n1cc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC000901516788 980334354 /nfs/dbraw/zinc/33/43/54/980334354.db2.gz RDWGUDBDWUEQMW-SFHVURJKSA-N -1 3 323.396 3.533 20 0 DHADHM CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595284584 980359036 /nfs/dbraw/zinc/35/90/36/980359036.db2.gz YUTPYRGGRIFYGH-ZWKOTPCHSA-N -1 3 311.381 3.819 20 0 DHADHM CC[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)s1 ZINC001595298734 980420712 /nfs/dbraw/zinc/42/07/12/980420712.db2.gz AWCKPPQRNDUYBR-JTQLQIEISA-N -1 3 312.822 3.679 20 0 DHADHM CC[C@](NCc1cc(C)nc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595299365 980426604 /nfs/dbraw/zinc/42/66/04/980426604.db2.gz QUJYSBIVVYTGCR-QGZVFWFLSA-N -1 3 318.804 3.523 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1c[nH]c2ccccc12 ZINC000581255984 1014656401 /nfs/dbraw/zinc/65/64/01/1014656401.db2.gz LVYGERASPQRKQY-UHFFFAOYSA-N -1 3 312.369 3.790 20 0 DHADHM Cc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)s1 ZINC000901931294 980636424 /nfs/dbraw/zinc/63/64/24/980636424.db2.gz LEPZKBTWBNXSPQ-UHFFFAOYSA-N -1 3 322.455 3.591 20 0 DHADHM Cc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cs1 ZINC000901933947 980638302 /nfs/dbraw/zinc/63/83/02/980638302.db2.gz GHHHBJAKTDZEJJ-UHFFFAOYSA-N -1 3 322.455 3.591 20 0 DHADHM Cc1cc(C)c(/C=C/CN2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000901982239 980660717 /nfs/dbraw/zinc/66/07/17/980660717.db2.gz OWHPDFVOEQBJRG-BDUNBXCCSA-N -1 3 319.470 3.517 20 0 DHADHM CCc1oc(CN[C@@H]2c3ccccc3CC[C@H]2C)cc1C(=O)[O-] ZINC000902340062 980840096 /nfs/dbraw/zinc/84/00/96/980840096.db2.gz XRHCTMHWLCFQBI-XIKOKIGWSA-N -1 3 313.397 3.953 20 0 DHADHM O=C([O-])c1ccc(-c2ccc(CN3CC(CC4CC4)C3)o2)cc1 ZINC000902464517 980899601 /nfs/dbraw/zinc/89/96/01/980899601.db2.gz ZKDJIGPMEPJWHJ-UHFFFAOYSA-N -1 3 311.381 3.877 20 0 DHADHM O=C([O-])c1ccoc1CN1CCCSC[C@@H]1c1ccccc1 ZINC000903621114 980997751 /nfs/dbraw/zinc/99/77/51/980997751.db2.gz POXFLVWGDQJYER-OAHLLOKOSA-N -1 3 317.410 3.658 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])s1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000903689160 981014582 /nfs/dbraw/zinc/01/45/82/981014582.db2.gz DGOVVMRTZQRAIN-MNOVXSKESA-N -1 3 321.364 3.999 20 0 DHADHM COc1ccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000048384932 1014738737 /nfs/dbraw/zinc/73/87/37/1014738737.db2.gz FCHGFCYVJRHBFG-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM CCC[C@@H](CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)OC ZINC001595593272 981556765 /nfs/dbraw/zinc/55/67/65/981556765.db2.gz YTJQENUTJQXJQF-HNNXBMFYSA-N -1 3 317.385 3.550 20 0 DHADHM CCC[C@@H]1[C@@H](C)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595619767 981681594 /nfs/dbraw/zinc/68/15/94/981681594.db2.gz NXUNESDZHKALGC-BLLLJJGKSA-N -1 3 315.417 3.662 20 0 DHADHM CCC[C@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595623589 981722814 /nfs/dbraw/zinc/72/28/14/981722814.db2.gz UGZGVFRIMVEHDY-INIZCTEOSA-N -1 3 314.385 3.804 20 0 DHADHM CCOc1cc(CN2CC[C@@H](C)[C@@H](F)C2)cc(Cl)c1[O-] ZINC000656531893 1014809714 /nfs/dbraw/zinc/80/97/14/1014809714.db2.gz PKKHUPKRCUSGEV-MFKMUULPSA-N -1 3 301.789 3.624 20 0 DHADHM CCCCO[C@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2F)C1(C)C ZINC001595771083 982517524 /nfs/dbraw/zinc/51/75/24/982517524.db2.gz UHVLQNAIXZHNRT-CVEARBPZSA-N -1 3 323.408 3.597 20 0 DHADHM CC[C@H](C)[C@@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594931548 982568081 /nfs/dbraw/zinc/56/80/81/982568081.db2.gz RLNSGQHKZDLERF-LRDDRELGSA-N -1 3 315.417 3.662 20 0 DHADHM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001118320509 982953031 /nfs/dbraw/zinc/95/30/31/982953031.db2.gz XFZBREYUOXJXIS-ZIAGYGMSSA-N -1 3 313.850 3.539 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)c([O-])c1 ZINC000443392621 1014896338 /nfs/dbraw/zinc/89/63/38/1014896338.db2.gz OIGRJXKOESFCQI-UHFFFAOYSA-N -1 3 305.418 3.545 20 0 DHADHM C[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)[C@H]1C ZINC000581494050 1014931384 /nfs/dbraw/zinc/93/13/84/1014931384.db2.gz TXFWENPFDFMNCQ-NEPJUHHUSA-N -1 3 311.809 3.537 20 0 DHADHM CNc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000553043373 1033584073 /nfs/dbraw/zinc/58/40/73/1033584073.db2.gz SDLDAHNOODUHDV-UHFFFAOYSA-N -1 3 311.168 3.993 20 0 DHADHM CCN(CCSC)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001596347882 983801437 /nfs/dbraw/zinc/80/14/37/983801437.db2.gz SMQJEDQAQCSYEC-LBPRGKRZSA-N -1 3 322.257 3.804 20 0 DHADHM CCN(Cc1csc(C(=O)[O-])c1)Cc1c[nH]c2ccccc12 ZINC001596378453 983895893 /nfs/dbraw/zinc/89/58/93/983895893.db2.gz UODGCBFISSYZCR-UHFFFAOYSA-N -1 3 314.410 3.950 20 0 DHADHM S=c1nccc(O[C@H]2CCc3ccc(Br)cc32)[n-]1 ZINC001226940115 1015050943 /nfs/dbraw/zinc/05/09/43/1015050943.db2.gz OGRXWBCXXVAPFX-NSHDSACASA-N -1 3 323.215 3.594 20 0 DHADHM C/C(=C/CN(Cc1ccccc1)Cc1ccc(F)cc1)C(=O)[O-] ZINC001588959175 984720289 /nfs/dbraw/zinc/72/02/89/984720289.db2.gz WJUKDKPSBAQGPM-PTNGSMBKSA-N -1 3 313.372 3.859 20 0 DHADHM [O-]c1cccc(CN2CC(CC(F)(F)F)C2)c1Br ZINC000656689027 1015075071 /nfs/dbraw/zinc/07/50/71/1015075071.db2.gz ZEIFMFGRIGIHLS-UHFFFAOYSA-N -1 3 324.140 3.539 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc(F)cc2)C(C)(C)C)n1 ZINC000474155046 1015123576 /nfs/dbraw/zinc/12/35/76/1015123576.db2.gz USWRFGSZMYXWBP-UHFFFAOYSA-N -1 3 317.408 3.684 20 0 DHADHM C[C@]12CCCC[C@H]1CN2CCOc1ccc(C(=O)[O-])cc1Cl ZINC001599938180 985421710 /nfs/dbraw/zinc/42/17/10/985421710.db2.gz HPIIUZNPLXSFQS-GUYCJALGSA-N -1 3 323.820 3.682 20 0 DHADHM Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c([O-])c1 ZINC000113841612 1015129827 /nfs/dbraw/zinc/12/98/27/1015129827.db2.gz GNNUNAULIQDRJX-UHFFFAOYSA-N -1 3 313.372 3.687 20 0 DHADHM CCc1cccc2cc(C[N-]c3nnc([C@H]4CCCO4)o3)oc21 ZINC000656771857 1015144590 /nfs/dbraw/zinc/14/45/90/1015144590.db2.gz LEQQTCKHXFVONB-CQSZACIVSA-N -1 3 313.357 3.842 20 0 DHADHM C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc([O-])c(F)c3)cc21 ZINC000895660701 1015245402 /nfs/dbraw/zinc/24/54/02/1015245402.db2.gz PHGYOLLXJMDIOL-NSHDSACASA-N -1 3 314.360 3.613 20 0 DHADHM CCS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1 ZINC001597257784 987263973 /nfs/dbraw/zinc/26/39/73/987263973.db2.gz AHJRXRIQXINLBN-CQSZACIVSA-N -1 3 324.490 3.944 20 0 DHADHM CCSc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC001597277319 987334270 /nfs/dbraw/zinc/33/42/70/987334270.db2.gz LVBZWSIDOVUSPF-UHFFFAOYSA-N -1 3 307.440 3.848 20 0 DHADHM CC[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccccc1 ZINC001597349340 987484664 /nfs/dbraw/zinc/48/46/64/987484664.db2.gz HJMWMXPBITYELP-YOEHRIQHSA-N -1 3 313.397 3.952 20 0 DHADHM CCc1[nH]c(CNCc2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001597395178 987646148 /nfs/dbraw/zinc/64/61/48/987646148.db2.gz ORKUSDPDFSXXSR-UHFFFAOYSA-N -1 3 308.328 3.503 20 0 DHADHM CCc1[nH]c(CN[C@H](C)c2ccccc2SC)cc1C(=O)[O-] ZINC001597395365 987647379 /nfs/dbraw/zinc/64/73/79/987647379.db2.gz SWVGNXSVKOETLC-LLVKDONJSA-N -1 3 318.442 3.848 20 0 DHADHM CC(C)(C)[C@@H](NCc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC001589720568 987883692 /nfs/dbraw/zinc/88/36/92/987883692.db2.gz PQDGCRWCHFYHOH-ZDUSSCGKSA-N -1 3 322.405 3.538 20 0 DHADHM CSCC[C@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001599795668 988093273 /nfs/dbraw/zinc/09/32/73/988093273.db2.gz SNTMXIQMVIXNFU-JTQLQIEISA-N -1 3 301.839 3.612 20 0 DHADHM CSc1ccc([C@H](C)N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001599821252 988518579 /nfs/dbraw/zinc/51/85/79/988518579.db2.gz RHQBTNPFZBJXGV-RYUDHWBXSA-N -1 3 316.426 3.914 20 0 DHADHM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599823187 988550523 /nfs/dbraw/zinc/55/05/23/988550523.db2.gz CFVPMOXQUCALOG-NSHDSACASA-N -1 3 318.442 3.604 20 0 DHADHM CSc1ccccc1CN(C)Cc1ccccc1C(=O)[O-] ZINC001599824033 988565076 /nfs/dbraw/zinc/56/50/76/988565076.db2.gz NPSVHLFDSFBUEP-UHFFFAOYSA-N -1 3 301.411 3.739 20 0 DHADHM CSc1cccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC001599824504 988574287 /nfs/dbraw/zinc/57/42/87/988574287.db2.gz YRWIXKHFNITAAU-QGZVFWFLSA-N -1 3 319.401 3.637 20 0 DHADHM Cc1ccc(-c2ccnn2C)cc1NCc1cc([O-])cc(F)c1 ZINC000341501800 1015426514 /nfs/dbraw/zinc/42/65/14/1015426514.db2.gz XXSXXDWCHRRLSA-UHFFFAOYSA-N -1 3 311.360 3.852 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C[C@@H]1CC ZINC001597767291 989219140 /nfs/dbraw/zinc/21/91/40/989219140.db2.gz IQBPDMULWPSERG-INIZCTEOSA-N -1 3 313.397 3.877 20 0 DHADHM CCN(Cc1cccs1)C(=O)c1cc(SC)ccc1[O-] ZINC000665440966 1015495529 /nfs/dbraw/zinc/49/55/29/1015495529.db2.gz UCCMCCPLHPMOGR-UHFFFAOYSA-N -1 3 307.440 3.838 20 0 DHADHM CC(C)(NCCc1ccc2ccccc2c1)c1nocc1C(=O)[O-] ZINC001590870419 990772238 /nfs/dbraw/zinc/77/22/38/990772238.db2.gz MAMRZOLHROLNDJ-UHFFFAOYSA-N -1 3 324.380 3.593 20 0 DHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OCc1ccccn1 ZINC000909533877 1015613218 /nfs/dbraw/zinc/61/32/18/1015613218.db2.gz CYPJIYZCFWLEGX-UHFFFAOYSA-N -1 3 318.804 3.552 20 0 DHADHM COc1ccccc1[C@H](C)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001599698585 991185173 /nfs/dbraw/zinc/18/51/73/991185173.db2.gz OGPMWDULFBJFJL-WMLDXEAASA-N -1 3 313.397 3.952 20 0 DHADHM CC(C)[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001591030790 991335563 /nfs/dbraw/zinc/33/55/63/991335563.db2.gz QREURGQPHDWYAO-OAHLLOKOSA-N -1 3 324.783 3.992 20 0 DHADHM CC(C)[C@H]1CCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001591095663 991683962 /nfs/dbraw/zinc/68/39/62/991683962.db2.gz ZDLNEUOCJJCGBR-CYBMUJFWSA-N -1 3 301.308 3.634 20 0 DHADHM CC(C)C[C@@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591205922 992030835 /nfs/dbraw/zinc/03/08/35/992030835.db2.gz MSIRAFXTQZGMRB-AWEZNQCLSA-N -1 3 315.417 3.662 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(C(C)(C)C)cc1 ZINC001598516952 992627022 /nfs/dbraw/zinc/62/70/22/992627022.db2.gz VRDFQWWCCKWVPD-UHFFFAOYSA-N -1 3 301.386 3.907 20 0 DHADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC001598518353 992646518 /nfs/dbraw/zinc/64/65/18/992646518.db2.gz WYMBQBCHDAYDDT-YUIUBULTSA-N -1 3 311.381 3.887 20 0 DHADHM C[C@H]1CCCc2cc(-c3noc(-c4ccccc4[O-])n3)c(=O)[nH]c21 ZINC000896766955 1015735492 /nfs/dbraw/zinc/73/54/92/1015735492.db2.gz BGXVTXTXPQMWOU-JTQLQIEISA-N -1 3 323.352 3.650 20 0 DHADHM CN(Cc1occc1C(=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598542306 992916103 /nfs/dbraw/zinc/91/61/03/992916103.db2.gz XGHASFYJZWIWCT-MNOVXSKESA-N -1 3 305.296 3.531 20 0 DHADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncccc1[O-] ZINC000341902986 1015841996 /nfs/dbraw/zinc/84/19/96/1015841996.db2.gz PWGIIQBWRZBLLY-JTQLQIEISA-N -1 3 324.302 3.623 20 0 DHADHM C[C@@H](N[C@H]1CCCc2sccc21)c1cncc(C(=O)[O-])c1 ZINC001593218360 994284323 /nfs/dbraw/zinc/28/43/23/994284323.db2.gz HSLGZWKOBOAKDS-YGRLFVJLSA-N -1 3 302.399 3.570 20 0 DHADHM C[C@@H](NCC(C)(C)Cc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593241093 994434748 /nfs/dbraw/zinc/43/47/48/994434748.db2.gz VQMJKRCSAHBPSM-GFCCVEGCSA-N -1 3 318.442 3.761 20 0 DHADHM C[C@@H](NC[C@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593258222 994539806 /nfs/dbraw/zinc/53/98/06/994539806.db2.gz XUVXXONFLQLEGK-DGCLKSJQSA-N -1 3 316.426 3.612 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1csc2ccccc21 ZINC001593297514 994703712 /nfs/dbraw/zinc/70/37/12/994703712.db2.gz WWRFGRMKNBBIGA-LLVKDONJSA-N -1 3 314.410 3.789 20 0 DHADHM C[C@H](NCc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298254 994712894 /nfs/dbraw/zinc/71/28/94/994712894.db2.gz GPGXSGYHFHPILS-LBPRGKRZSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(C(=O)[O-])o1 ZINC001593360660 995025874 /nfs/dbraw/zinc/02/58/74/995025874.db2.gz XAWSGYUDCBWKJX-LEWSCRJBSA-N -1 3 309.406 3.611 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC=C(C(C)(C)C)CC1)C(=O)[O-] ZINC001593645450 995974920 /nfs/dbraw/zinc/97/49/20/995974920.db2.gz SAMCMJIPRZNFHB-AWEZNQCLSA-N -1 3 317.429 3.717 20 0 DHADHM C[C@@H](Oc1ccccc1CN1CCC2(CCCC2)CC1)C(=O)[O-] ZINC001593646656 995988381 /nfs/dbraw/zinc/98/83/81/995988381.db2.gz ZBGWKKDCDPVAEI-OAHLLOKOSA-N -1 3 317.429 3.695 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001593687310 996126534 /nfs/dbraw/zinc/12/65/34/996126534.db2.gz QSGUTBIPLLUSPN-GFCCVEGCSA-N -1 3 312.369 3.663 20 0 DHADHM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001593724992 996272781 /nfs/dbraw/zinc/27/27/81/996272781.db2.gz KRNBAIHRTUZMHZ-UPJWGTAASA-N -1 3 306.406 3.582 20 0 DHADHM CC1(C)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001593923203 996837912 /nfs/dbraw/zinc/83/79/12/996837912.db2.gz KBDXVFJHCHNNOY-UHFFFAOYSA-N -1 3 311.809 3.539 20 0 DHADHM CC1(C)CN(Cc2ccccc2CC(=O)[O-])Cc2ccccc21 ZINC001593942940 996975216 /nfs/dbraw/zinc/97/52/16/996975216.db2.gz WHHORDDPPJBKBZ-UHFFFAOYSA-N -1 3 309.409 3.607 20 0 DHADHM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc2ccccc21 ZINC001599388690 996992923 /nfs/dbraw/zinc/99/29/23/996992923.db2.gz FBAULTVMAUESRQ-LBPRGKRZSA-N -1 3 324.380 3.726 20 0 DHADHM Cc1ccc(-c2nc(CNCCC[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000277229827 1016083486 /nfs/dbraw/zinc/08/34/86/1016083486.db2.gz IKRGORFLBDSFKP-CYBMUJFWSA-N -1 3 318.442 3.709 20 0 DHADHM C[C@@]1(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1(F)F ZINC001594027693 997579966 /nfs/dbraw/zinc/57/99/66/997579966.db2.gz ZTLDHHIEYZAQFO-JQWIXIFHSA-N -1 3 324.154 3.754 20 0 DHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014254338 1016276498 /nfs/dbraw/zinc/27/64/98/1016276498.db2.gz PPXUSWJPRCWDLY-UHFFFAOYSA-N -1 3 307.390 3.825 20 0 DHADHM CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599063919 999285934 /nfs/dbraw/zinc/28/59/34/999285934.db2.gz OLTJGINKUPEFMI-USBNGQNGSA-N -1 3 321.348 3.544 20 0 DHADHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccccc1[O-] ZINC000622421160 1016400030 /nfs/dbraw/zinc/40/00/30/1016400030.db2.gz NYZSCJHYHQAPHP-ZDUSSCGKSA-N -1 3 301.308 3.633 20 0 DHADHM C[C@@H](CC(=O)Nc1ncccc1[O-])Cc1ccc(Cl)cc1 ZINC000622505063 1016436857 /nfs/dbraw/zinc/43/68/57/1016436857.db2.gz NBIWQYDYFFOTMY-LLVKDONJSA-N -1 3 304.777 3.648 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC(C)(C)C1 ZINC000622506774 1016439169 /nfs/dbraw/zinc/43/91/69/1016439169.db2.gz UBBXWEUXATYXCS-JTQLQIEISA-N -1 3 315.335 3.919 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000669844440 1035856880 /nfs/dbraw/zinc/85/68/80/1035856880.db2.gz LDLIOMHTKNFBNQ-MRVPVSSYSA-N -1 3 319.810 3.580 20 0 DHADHM CC(C)c1ccc(C(=O)NCC(C)(C)C2(O)CCCC2)c([O-])c1 ZINC000622668246 1016519647 /nfs/dbraw/zinc/51/96/47/1016519647.db2.gz JEHJGPLWFBUHEH-UHFFFAOYSA-N -1 3 319.445 3.577 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cscc1C(F)(F)F ZINC000622833447 1016657833 /nfs/dbraw/zinc/65/78/33/1016657833.db2.gz BKOQIWZORNOTFJ-UHFFFAOYSA-N -1 3 304.293 3.878 20 0 DHADHM O=C([N-]OCc1ccccc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000045061524 1016660134 /nfs/dbraw/zinc/66/01/34/1016660134.db2.gz QPYICEXSVDBYBK-QWHCGFSZSA-N -1 3 301.308 3.603 20 0 DHADHM Cc1cc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)c(C)s1 ZINC000049507351 1016837075 /nfs/dbraw/zinc/83/70/75/1016837075.db2.gz YYVDAHZDFFMBPV-VIFPVBQESA-N -1 3 319.455 3.926 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OCC2CC2)cc1 ZINC000174873420 1016842278 /nfs/dbraw/zinc/84/22/78/1016842278.db2.gz ADGIXWAUSDGXGQ-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM Cc1ccsc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176439403 1016965452 /nfs/dbraw/zinc/96/54/52/1016965452.db2.gz VYTWULQYKDHLGQ-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM CC(C)(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCCCC1 ZINC000475117478 1016982063 /nfs/dbraw/zinc/98/20/63/1016982063.db2.gz HROUNUSDHNTFAX-UHFFFAOYSA-N -1 3 318.343 3.759 20 0 DHADHM CC(C)(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCCCC1 ZINC000475117478 1016982069 /nfs/dbraw/zinc/98/20/69/1016982069.db2.gz HROUNUSDHNTFAX-UHFFFAOYSA-N -1 3 318.343 3.759 20 0 DHADHM C[C@@H]1CCCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238303824 1017062558 /nfs/dbraw/zinc/06/25/58/1017062558.db2.gz AREVVGDBHRRVQA-SECBINFHSA-N -1 3 302.187 3.526 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456258497 1017238090 /nfs/dbraw/zinc/23/80/90/1017238090.db2.gz QZONTRCDLQWXMZ-HKUYNNGSSA-N -1 3 307.393 3.806 20 0 DHADHM CC1(C)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCC[C@@H]21 ZINC000294882136 1032191288 /nfs/dbraw/zinc/19/12/88/1032191288.db2.gz UMWUQOVEBIVCPW-XJKSGUPXSA-N -1 3 310.397 3.591 20 0 DHADHM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000295008673 1032242548 /nfs/dbraw/zinc/24/25/48/1032242548.db2.gz PLAOBIXSXDAUBO-GFCCVEGCSA-N -1 3 321.726 3.897 20 0 DHADHM [O-]c1ccc(Br)c(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001238305933 1017072632 /nfs/dbraw/zinc/07/26/32/1017072632.db2.gz SKLLORLXBRQSDW-UWVGGRQHSA-N -1 3 314.198 3.526 20 0 DHADHM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)cc1[O-] ZINC001146964574 1032265106 /nfs/dbraw/zinc/26/51/06/1032265106.db2.gz WSOJKWCESUYTDH-OAHLLOKOSA-N -1 3 301.361 3.591 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(-c3cccnc3)cc2)c1[O-] ZINC001148201651 1032374552 /nfs/dbraw/zinc/37/45/52/1032374552.db2.gz BHKYSFTZUBQADU-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1[O-] ZINC001148491854 1032410062 /nfs/dbraw/zinc/41/00/62/1032410062.db2.gz DZWHYQXLFHTCGB-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM Cc1ccc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)c([O-])c1 ZINC001148506230 1032411209 /nfs/dbraw/zinc/41/12/09/1032411209.db2.gz YADPPCUCBAWZBI-UHFFFAOYSA-N -1 3 314.772 3.765 20 0 DHADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1Cl ZINC000179637670 1017280303 /nfs/dbraw/zinc/28/03/03/1017280303.db2.gz PXEWAIHDUSWGDI-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)c3ccccc32)ccc1[O-] ZINC001148669081 1032431144 /nfs/dbraw/zinc/43/11/44/1032431144.db2.gz PRNUDBQKCXYHFW-PIGZYNQJSA-N -1 3 309.365 3.573 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cccc3nc(C)ccc32)ccc1[O-] ZINC001148664882 1032431981 /nfs/dbraw/zinc/43/19/81/1032431981.db2.gz TYZCMBSURGMODI-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM Cc1c(F)c(C)c(F)c(C(=O)Nc2ccc(F)c([O-])c2)c1F ZINC001148762229 1032442716 /nfs/dbraw/zinc/44/27/16/1032442716.db2.gz URYXFVHBIRSNES-UHFFFAOYSA-N -1 3 313.250 3.818 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c([O-])c1 ZINC000121479723 1032448138 /nfs/dbraw/zinc/44/81/38/1032448138.db2.gz SIQWPLMTRCVTGM-MRXNPFEDSA-N -1 3 303.402 3.586 20 0 DHADHM O=c1[n-]c(CN2CCCC3(CCC3)C2)nc2c3ccccc3oc21 ZINC000348191514 1032483398 /nfs/dbraw/zinc/48/33/98/1032483398.db2.gz DIPJAHYQLSHKFO-UHFFFAOYSA-N -1 3 323.396 3.848 20 0 DHADHM CCc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1[O-] ZINC000537643190 1032570001 /nfs/dbraw/zinc/57/00/01/1032570001.db2.gz NTFIGKAFKZWUDB-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001207904656 1011962592 /nfs/dbraw/zinc/96/25/92/1011962592.db2.gz BYIUVAGMTRMNEU-NSHDSACASA-N -1 3 321.845 3.972 20 0 DHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000185685471 1017106666 /nfs/dbraw/zinc/10/66/66/1017106666.db2.gz SVLGYUJFGHCYPS-UHFFFAOYSA-N -1 3 321.760 3.791 20 0 DHADHM C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424415272 1012021634 /nfs/dbraw/zinc/02/16/34/1012021634.db2.gz IQWKOMJBMXMMFW-TVQRCGJNSA-N -1 3 319.298 3.530 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccsc2)n1 ZINC000424613409 1012055866 /nfs/dbraw/zinc/05/58/66/1012055866.db2.gz BERNIELAINSCPN-MFKMUULPSA-N -1 3 324.471 3.707 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccccc2)n1 ZINC000424614905 1012075264 /nfs/dbraw/zinc/07/52/64/1012075264.db2.gz DDXNKHXNBKYRLZ-WFASDCNBSA-N -1 3 318.442 3.645 20 0 DHADHM Cc1ccc(NCc2ccccc2C2CC2)cc1-c1nnn[n-]1 ZINC001167052124 1012088891 /nfs/dbraw/zinc/08/88/91/1012088891.db2.gz JPMPFQLSVUHZPU-UHFFFAOYSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccc(NCc2ccccc2C2CC2)cc1-c1nn[n-]n1 ZINC001167052124 1012088905 /nfs/dbraw/zinc/08/89/05/1012088905.db2.gz JPMPFQLSVUHZPU-UHFFFAOYSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1cccc(-n2ccnc2SCc2ncccc2[O-])c1C ZINC000579791780 1012151182 /nfs/dbraw/zinc/15/11/82/1012151182.db2.gz YFZXIDWFRMQAJL-UHFFFAOYSA-N -1 3 311.410 3.882 20 0 DHADHM Cc1cnc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)o1 ZINC000108984344 1012286119 /nfs/dbraw/zinc/28/61/19/1012286119.db2.gz AMHCJQFELXAITC-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=[S@@](Cc1csc(Br)c1)c1ccc([O-])cc1 ZINC000108083377 1012367289 /nfs/dbraw/zinc/36/72/89/1012367289.db2.gz CDUUSFLATFIWKC-MRXNPFEDSA-N -1 3 317.229 3.524 20 0 DHADHM Cc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)c([O-])c1 ZINC000109103274 1012506740 /nfs/dbraw/zinc/50/67/40/1012506740.db2.gz SKKLEXMHUGXKAX-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436660761 1012761561 /nfs/dbraw/zinc/76/15/61/1012761561.db2.gz ULPFLZUKYVUKNX-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(F)cc1C(F)(F)F ZINC000317188313 1012839565 /nfs/dbraw/zinc/83/95/65/1012839565.db2.gz JXAXWNOHRDNNJR-ZDUSSCGKSA-N -1 3 319.298 3.674 20 0 DHADHM Cc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c([O-])c1 ZINC000178088764 1017159118 /nfs/dbraw/zinc/15/91/18/1017159118.db2.gz ZCWZSCQSYNEFAM-UHFFFAOYSA-N -1 3 320.348 3.512 20 0 DHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(C)(C)C ZINC001211897065 1017211458 /nfs/dbraw/zinc/21/14/58/1017211458.db2.gz LVVRJZLYVQKQGO-GFCCVEGCSA-N -1 3 318.870 3.537 20 0 DHADHM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179458015 1017254211 /nfs/dbraw/zinc/25/42/11/1017254211.db2.gz OFWRPPFRJRCBBM-GTNSWQLSSA-N -1 3 319.788 3.539 20 0 DHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cnc2ccccc2n1 ZINC000180342670 1017424784 /nfs/dbraw/zinc/42/47/84/1017424784.db2.gz XKRFYSSWNWRDMF-UHFFFAOYSA-N -1 3 319.698 3.814 20 0 DHADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000456954161 1017455986 /nfs/dbraw/zinc/45/59/86/1017455986.db2.gz WATYXWVUTXOWQK-SJLPKXTDSA-N -1 3 313.397 3.623 20 0 DHADHM Cc1nc(Cl)ccc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000763984547 1017499466 /nfs/dbraw/zinc/49/94/66/1017499466.db2.gz WSUBRPCACSRZBQ-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523482814 1017706646 /nfs/dbraw/zinc/70/66/46/1017706646.db2.gz NYXVJBADAPYTDA-ZFWWWQNUSA-N -1 3 308.397 3.545 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCc3ccccc32)c1 ZINC000665890668 1017739966 /nfs/dbraw/zinc/73/99/66/1017739966.db2.gz IGTWNBYVECZWRY-INIZCTEOSA-N -1 3 313.422 3.874 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000314965161 1032722991 /nfs/dbraw/zinc/72/29/91/1032722991.db2.gz OTRTVKHVCXYTLV-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccsc3s2)c1 ZINC000524010470 1017851675 /nfs/dbraw/zinc/85/16/75/1017851675.db2.gz XUVKSTZYYWNIIF-UHFFFAOYSA-N -1 3 304.396 3.878 20 0 DHADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(F)cc(F)c1 ZINC000016123489 1017885939 /nfs/dbraw/zinc/88/59/39/1017885939.db2.gz IVFUIFWOXXLMNB-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000674257235 1017903518 /nfs/dbraw/zinc/90/35/18/1017903518.db2.gz UDGVOLBWULAYLJ-UHFFFAOYSA-N -1 3 307.444 3.810 20 0 DHADHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccccn1 ZINC000171944443 1018003155 /nfs/dbraw/zinc/00/31/55/1018003155.db2.gz GHTJWUVUWQTNKC-SNVBAGLBSA-N -1 3 300.749 3.958 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 ZINC000701481714 1018063740 /nfs/dbraw/zinc/06/37/40/1018063740.db2.gz ZLWGIFYMUHTHKZ-NHYWBVRUSA-N -1 3 314.212 3.680 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC000701528315 1018069803 /nfs/dbraw/zinc/06/98/03/1018069803.db2.gz CLXLEEUIXCOIMG-NHYWBVRUSA-N -1 3 314.212 3.680 20 0 DHADHM CCC(=O)c1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1 ZINC000446143004 1018070773 /nfs/dbraw/zinc/07/07/73/1018070773.db2.gz AYLNNFGFUFHIDI-UHFFFAOYSA-N -1 3 312.756 3.836 20 0 DHADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172626577 1018073408 /nfs/dbraw/zinc/07/34/08/1018073408.db2.gz POGSEHMPLXZHOA-LLVKDONJSA-N -1 3 320.339 3.573 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1[O-] ZINC000665921996 1018089396 /nfs/dbraw/zinc/08/93/96/1018089396.db2.gz KGWSSDREAHFAKV-SFHVURJKSA-N -1 3 323.392 3.744 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2OCC(C)C)c1 ZINC000195702847 1018246845 /nfs/dbraw/zinc/24/68/45/1018246845.db2.gz SHFIKEAEALXDNC-UHFFFAOYSA-N -1 3 315.369 3.688 20 0 DHADHM [O-]c1ccc(CNc2nc3ccccc3o2)cc1Br ZINC000155615835 1018317507 /nfs/dbraw/zinc/31/75/07/1018317507.db2.gz DOPSKJDQGSPSMA-UHFFFAOYSA-N -1 3 319.158 3.908 20 0 DHADHM CCOC(=O)c1nc(Cl)sc1[N-]c1c(C)ccnc1F ZINC001212557661 1018462870 /nfs/dbraw/zinc/46/28/70/1018462870.db2.gz RPBQNTFNNGJHIB-UHFFFAOYSA-N -1 3 315.757 3.559 20 0 DHADHM COc1ccc2c(cccc2-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558801 1018467339 /nfs/dbraw/zinc/46/73/39/1018467339.db2.gz GJKPLGDTIREOEP-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1ccc2cc(Nc3cc(F)c([O-])c(F)c3)ccc2n1 ZINC001213384576 1018467637 /nfs/dbraw/zinc/46/76/37/1018467637.db2.gz UOCGEKDONMMRNB-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)no2)nc1 ZINC001212559097 1018468286 /nfs/dbraw/zinc/46/82/86/1018468286.db2.gz VOUXPZITAWIQFB-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cc(Cl)c(F)cc3F)no2)n1 ZINC001213698006 1018501500 /nfs/dbraw/zinc/50/15/00/1018501500.db2.gz JUGZITQCKWEXQF-UHFFFAOYSA-N -1 3 323.686 3.744 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCCC3(C)C)n[n-]2)o1 ZINC000448251175 1018565087 /nfs/dbraw/zinc/56/50/87/1018565087.db2.gz BXVZAKDVFMNMFF-NSHDSACASA-N -1 3 302.378 3.528 20 0 DHADHM C[C@H]1CSCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000889925265 1018827256 /nfs/dbraw/zinc/82/72/56/1018827256.db2.gz YDPUAWRRLFRWCY-JTQLQIEISA-N -1 3 307.440 3.575 20 0 DHADHM Cc1nc(C)c(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000354651015 1018841470 /nfs/dbraw/zinc/84/14/70/1018841470.db2.gz LQEYDPDVHKYMSG-UHFFFAOYSA-N -1 3 312.394 3.549 20 0 DHADHM CCCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000314799271 1018884358 /nfs/dbraw/zinc/88/43/58/1018884358.db2.gz WIXALAIMIPQMSC-HNNXBMFYSA-N -1 3 319.426 3.843 20 0 DHADHM C[C@@H]1c2cccn2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471707045 1018922067 /nfs/dbraw/zinc/92/20/67/1018922067.db2.gz SFXBDGMPPXWIEC-CYBMUJFWSA-N -1 3 306.365 3.564 20 0 DHADHM CC[C@](C)(NC(=O)c1c(C)cccc1[O-])c1nc(C)cs1 ZINC000625797262 1018967344 /nfs/dbraw/zinc/96/73/44/1018967344.db2.gz NYGIWDPRVHLSTM-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ncccc1[O-] ZINC000022265422 1018967545 /nfs/dbraw/zinc/96/75/45/1018967545.db2.gz WONXHNNLWALKKS-UHFFFAOYSA-N -1 3 320.348 3.542 20 0 DHADHM CC1(C)CCc2ccccc2[C@H]([N-]c2nnc(C(F)F)o2)C1 ZINC000330362445 1019024411 /nfs/dbraw/zinc/02/44/11/1019024411.db2.gz ZNWCMWUTXLDTCA-GFCCVEGCSA-N -1 3 307.344 4.523 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000007403940 1019025745 /nfs/dbraw/zinc/02/57/45/1019025745.db2.gz DRCYHXVYFGCKHY-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000387159255 1019053544 /nfs/dbraw/zinc/05/35/44/1019053544.db2.gz QRRVPZBZNQCRTE-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1nc(CN2CCCC[C@H]2CCC(=O)[O-])sc1C(C)(C)C ZINC000923251314 1019086707 /nfs/dbraw/zinc/08/67/07/1019086707.db2.gz YLKKHJVONQELDH-ZDUSSCGKSA-N -1 3 324.490 3.968 20 0 DHADHM CSc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccn1 ZINC000355533230 1019125797 /nfs/dbraw/zinc/12/57/97/1019125797.db2.gz RADJDLSITKUZED-UHFFFAOYSA-N -1 3 324.405 3.592 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1ccc(Cl)cc1Cl)CC2 ZINC000711651862 1019167670 /nfs/dbraw/zinc/16/76/70/1019167670.db2.gz AVGYFIKCTCDHED-HIFRSBDPSA-N -1 3 314.212 3.823 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000081779724 1019230019 /nfs/dbraw/zinc/23/00/19/1019230019.db2.gz DDRJYDREVVTJPS-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM C[C@H](CCCC(C)(C)O)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001168698513 1019240223 /nfs/dbraw/zinc/24/02/23/1019240223.db2.gz WHLFGVIPENYIKS-MRVPVSSYSA-N -1 3 307.221 3.836 20 0 DHADHM CC[C@H](C)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000088484327 1019345118 /nfs/dbraw/zinc/34/51/18/1019345118.db2.gz PPUHMBOOBIYVBK-NSHDSACASA-N -1 3 314.414 3.659 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000078751604 1019348521 /nfs/dbraw/zinc/34/85/21/1019348521.db2.gz CDQDUFUSKXOYOI-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)c1nc(C)cs1 ZINC000472203373 1019350131 /nfs/dbraw/zinc/35/01/31/1019350131.db2.gz BSEVYXYEZUCNFM-UHFFFAOYSA-N -1 3 312.394 3.977 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cc(Cc2ccccc2)no1 ZINC001212478129 1019397072 /nfs/dbraw/zinc/39/70/72/1019397072.db2.gz WTNMIDXCNXLJKU-UHFFFAOYSA-N -1 3 302.280 3.993 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000096659249 1019618296 /nfs/dbraw/zinc/61/82/96/1019618296.db2.gz ADORBTYEFVFXFV-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1ccc2oc(C(=O)[N-]c3nc(C(C)(C)C)ns3)cc2n1 ZINC000264055618 1032843054 /nfs/dbraw/zinc/84/30/54/1032843054.db2.gz CMENRYQJYABPRX-UHFFFAOYSA-N -1 3 316.386 3.538 20 0 DHADHM CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1OCC ZINC000128708817 1019668272 /nfs/dbraw/zinc/66/82/72/1019668272.db2.gz QHZVWGJJUURJMJ-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3nccc4ccccc43)no2)c1 ZINC000143725860 1019671939 /nfs/dbraw/zinc/67/19/39/1019671939.db2.gz RTHWOZZYERQTDO-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccccc2C1 ZINC000349277430 1019732471 /nfs/dbraw/zinc/73/24/71/1019732471.db2.gz CDFJAOWUSMMXCU-UHFFFAOYSA-N -1 3 303.361 3.744 20 0 DHADHM CO[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000526854214 1019736617 /nfs/dbraw/zinc/73/66/17/1019736617.db2.gz YSEZNPMZFFDXQV-IBGZPJMESA-N -1 3 321.376 3.663 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000626705984 1019908487 /nfs/dbraw/zinc/90/84/87/1019908487.db2.gz URLQZVDNRXJAFK-UHFFFAOYSA-N -1 3 313.372 3.802 20 0 DHADHM COCc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065617634 1019917105 /nfs/dbraw/zinc/91/71/05/1019917105.db2.gz RHCOZTGFSFMQQG-UHFFFAOYSA-N -1 3 311.381 3.670 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(F)cc2)CCC1 ZINC000129271595 1019935569 /nfs/dbraw/zinc/93/55/69/1019935569.db2.gz KWRBGOJYEXMLSY-UHFFFAOYSA-N -1 3 303.308 3.731 20 0 DHADHM COc1cccc(CCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000067139044 1019971743 /nfs/dbraw/zinc/97/17/43/1019971743.db2.gz RXDGUDNZARBCKC-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM COc1ccccc1C[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000730519730 1020001332 /nfs/dbraw/zinc/00/13/32/1020001332.db2.gz WSSROXCMJKQOOE-OAHLLOKOSA-N -1 3 313.397 3.512 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000111210882 1020145131 /nfs/dbraw/zinc/14/51/31/1020145131.db2.gz YXFLCFSGLXNIPA-STQMWFEESA-N -1 3 305.736 3.927 20 0 DHADHM CC(C)CCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000731868429 1020167581 /nfs/dbraw/zinc/16/75/81/1020167581.db2.gz YULRPYSTMQUUOH-UHFFFAOYSA-N -1 3 315.417 3.672 20 0 DHADHM C[C@H]1CCc2nc(NC(=O)[N-]OCc3ccccc3)sc2C1 ZINC000043576023 1020182735 /nfs/dbraw/zinc/18/27/35/1020182735.db2.gz PPUMVHRBTPPWBB-NSHDSACASA-N -1 3 317.414 3.521 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000612087540 1020190552 /nfs/dbraw/zinc/19/05/52/1020190552.db2.gz WJOMJCMYLKVLIP-UKRRQHHQSA-N -1 3 323.483 3.614 20 0 DHADHM O=C([N-][C@H]1CCc2ccc(F)cc21)C(F)(F)c1ccccc1F ZINC000765785884 1020195900 /nfs/dbraw/zinc/19/59/00/1020195900.db2.gz WAHHDPJQONEWTD-HNNXBMFYSA-N -1 3 323.289 3.860 20 0 DHADHM CC1(C)CCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000477706558 1032889119 /nfs/dbraw/zinc/88/91/19/1032889119.db2.gz VUTCTKLRBBEQNI-SNVBAGLBSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1cc(CO[N-]C(=O)CCCc2ccccc2)c(C)s1 ZINC000732804401 1020286312 /nfs/dbraw/zinc/28/63/12/1020286312.db2.gz JFYVDLDUOITAJN-UHFFFAOYSA-N -1 3 303.427 3.936 20 0 DHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2ccccc2s1 ZINC000673632084 1020351478 /nfs/dbraw/zinc/35/14/78/1020351478.db2.gz IWUKDBZMTCZTLM-UHFFFAOYSA-N -1 3 309.297 3.783 20 0 DHADHM O=C(OCc1ccc2ncccc2c1)c1cc(-c2ccco2)[n-]n1 ZINC000733695022 1020426484 /nfs/dbraw/zinc/42/64/84/1020426484.db2.gz PSOIQFJUSVCECF-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM O=C(OCc1ccc2ncccc2c1)c1cc(-c2ccco2)n[n-]1 ZINC000733695022 1020426494 /nfs/dbraw/zinc/42/64/94/1020426494.db2.gz PSOIQFJUSVCECF-UHFFFAOYSA-N -1 3 319.320 3.575 20 0 DHADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000353054439 1020429299 /nfs/dbraw/zinc/42/92/99/1020429299.db2.gz XLQPHXLFTSGHGH-ZDUSSCGKSA-N -1 3 306.365 3.774 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2sccc2C1 ZINC000353275869 1020478632 /nfs/dbraw/zinc/47/86/32/1020478632.db2.gz RQKAEEHJJXNPSA-UHFFFAOYSA-N -1 3 309.390 3.805 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000348068241 1020492786 /nfs/dbraw/zinc/49/27/86/1020492786.db2.gz AUHFSNFLTHMAGY-CVEARBPZSA-N -1 3 317.772 3.904 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C)c1 ZINC000055663454 1020516214 /nfs/dbraw/zinc/51/62/14/1020516214.db2.gz XUHRJAPYQBPGCO-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)C(C)(C)C)nc2)n1 ZINC000734480924 1020612607 /nfs/dbraw/zinc/61/26/07/1020612607.db2.gz XSNCYWIKCHWIIS-LBPRGKRZSA-N -1 3 314.433 3.901 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1-n1cccc1 ZINC000738553026 1020877688 /nfs/dbraw/zinc/87/76/88/1020877688.db2.gz WVKYXONICYTBBU-UHFFFAOYSA-N -1 3 324.355 3.560 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000613400368 1020936131 /nfs/dbraw/zinc/93/61/31/1020936131.db2.gz ZXWORHICNIQXCU-NJZAAPMLSA-N -1 3 305.443 3.765 20 0 DHADHM Cc1cc(F)c(COC(=O)c2cccc(Cl)c2[O-])cc1F ZINC001436245833 1020948467 /nfs/dbraw/zinc/94/84/67/1020948467.db2.gz CYYDIIAVRPVGNY-UHFFFAOYSA-N -1 3 312.699 3.989 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(C)c1O ZINC000318548360 1021071868 /nfs/dbraw/zinc/07/18/68/1021071868.db2.gz WNDLVIGAUDUKEV-UHFFFAOYSA-N -1 3 323.389 3.566 20 0 DHADHM CCCCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000742220781 1021098221 /nfs/dbraw/zinc/09/82/21/1021098221.db2.gz SHWUEKLAXSIYKM-VQHVLOKHSA-N -1 3 314.385 3.930 20 0 DHADHM C[C@H]1CN(Cc2cc(Cl)c([O-])c(Cl)c2)CCC[C@@]1(C)O ZINC001140835159 1021123135 /nfs/dbraw/zinc/12/31/35/1021123135.db2.gz OEGNJXPAGCVOBK-ZUZCIYMTSA-N -1 3 318.244 3.682 20 0 DHADHM CC(=O)Nc1ccc(OC(=O)c2cc3ccsc3[n-]2)c(F)c1 ZINC000742837952 1021169710 /nfs/dbraw/zinc/16/97/10/1021169710.db2.gz KFJKOSZFCBUXBY-UHFFFAOYSA-N -1 3 318.329 3.546 20 0 DHADHM O=C(OCc1ccc(Br)s1)c1ccc([O-])cc1 ZINC000742854920 1021174521 /nfs/dbraw/zinc/17/45/21/1021174521.db2.gz CQLMZXNHGHZZSW-UHFFFAOYSA-N -1 3 313.172 3.573 20 0 DHADHM O=C([N-]CCC(F)(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000742929402 1021183497 /nfs/dbraw/zinc/18/34/97/1021183497.db2.gz RPCHXZDUALHXFX-UHFFFAOYSA-N -1 3 301.642 3.500 20 0 DHADHM CCCCOc1ccc(NC(=O)c2cccc3n[n-]nc32)c(C)c1 ZINC000187415502 1021197898 /nfs/dbraw/zinc/19/78/98/1021197898.db2.gz OZWQLQGXNQMRJC-UHFFFAOYSA-N -1 3 324.384 3.698 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000128659085 1021310783 /nfs/dbraw/zinc/31/07/83/1021310783.db2.gz MUQOYTJLJQRKMR-MNOVXSKESA-N -1 3 307.271 3.552 20 0 DHADHM C[C@@H](C(=O)[O-])C1(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000649510143 1021323929 /nfs/dbraw/zinc/32/39/29/1021323929.db2.gz SMYFIMXWBDYOBH-QMMMGPOBSA-N -1 3 321.726 3.702 20 0 DHADHM Cc1ccc(C)c(OCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128711398 1021328422 /nfs/dbraw/zinc/32/84/22/1021328422.db2.gz WIGRQLUAMWRGKH-UHFFFAOYSA-N -1 3 303.333 3.556 20 0 DHADHM CCC(C)(CC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000134979719 1021381512 /nfs/dbraw/zinc/38/15/12/1021381512.db2.gz YCXSVUDVRPCMKY-UHFFFAOYSA-N -1 3 314.223 3.597 20 0 DHADHM O=C(/C=C/c1ccccc1OC(F)F)Nc1cccc([O-])c1F ZINC000129266260 1021458164 /nfs/dbraw/zinc/45/81/64/1021458164.db2.gz UXQXIPQODTWIKJ-CMDGGOBGSA-N -1 3 323.270 3.785 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(C)CCCC3)c2)n1 ZINC000744218536 1021472597 /nfs/dbraw/zinc/47/25/97/1021472597.db2.gz MLNFQDFAVQOYLC-UHFFFAOYSA-N -1 3 312.369 3.643 20 0 DHADHM COc1ccc(C)cc1/C=C/C(=O)Nc1cccc([O-])c1F ZINC000129453528 1021488638 /nfs/dbraw/zinc/48/86/38/1021488638.db2.gz SNBOEFYBPJUVMN-VQHVLOKHSA-N -1 3 301.317 3.500 20 0 DHADHM Cc1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)nc1 ZINC001211647499 1021501069 /nfs/dbraw/zinc/50/10/69/1021501069.db2.gz SBRSWJDWQLFWGO-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM Cc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000069693262 1021523518 /nfs/dbraw/zinc/52/35/18/1021523518.db2.gz WZCFVAPTRUWZHW-UHFFFAOYSA-N -1 3 319.788 3.988 20 0 DHADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000129720165 1021560693 /nfs/dbraw/zinc/56/06/93/1021560693.db2.gz SYXHTMMEEGDTNG-UHFFFAOYSA-N -1 3 312.369 3.610 20 0 DHADHM Cc1ccc(CC2CN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000618894065 1021574836 /nfs/dbraw/zinc/57/48/36/1021574836.db2.gz BZSUTVWPSCWYJX-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM CC(C)(C)c1cc2c([nH]c(-c3ccc([O-])cc3)nc2=O)s1 ZINC000069981913 1021577116 /nfs/dbraw/zinc/57/71/16/1021577116.db2.gz NABCQPPWAREFHM-UHFFFAOYSA-N -1 3 300.383 3.655 20 0 DHADHM CC[C@H](NCc1ncc(Br)cc1[O-])c1ccccc1 ZINC000892742810 1021591234 /nfs/dbraw/zinc/59/12/34/1021591234.db2.gz YFCQBXXTWMFVGC-ZDUSSCGKSA-N -1 3 321.218 3.791 20 0 DHADHM CSc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001241632363 1021645521 /nfs/dbraw/zinc/64/55/21/1021645521.db2.gz NJCBTOQYLKKSOK-UHFFFAOYSA-N -1 3 303.334 3.568 20 0 DHADHM O=C(NC1CCC2(CC2(F)F)CC1)c1cc([O-])ccc1Cl ZINC000619229363 1021694654 /nfs/dbraw/zinc/69/46/54/1021694654.db2.gz DFJHSSKZTDKKEA-UHFFFAOYSA-N -1 3 315.747 3.743 20 0 DHADHM O=C(Nc1ccccc1O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000072067418 1021776096 /nfs/dbraw/zinc/77/60/96/1021776096.db2.gz RZWOBLNAARICCT-UHFFFAOYSA-N -1 3 319.360 3.941 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3ccccc3nc2C)c1[O-] ZINC000556894326 1021927548 /nfs/dbraw/zinc/92/75/48/1021927548.db2.gz WZIXJHBNEDNUAB-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM CCc1ccc(CCC(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000556892027 1021935191 /nfs/dbraw/zinc/93/51/91/1021935191.db2.gz GIZLSCJJTJRHAM-UHFFFAOYSA-N -1 3 311.381 3.729 20 0 DHADHM CCc1cccc(C(=O)N2CC(Cc3cccc(C)c3)C2)c1[O-] ZINC000085649283 1021945097 /nfs/dbraw/zinc/94/50/97/1021945097.db2.gz MZDDBAJUWPKXJJ-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]nc1-c1ccccc1 ZINC000153462074 1022064672 /nfs/dbraw/zinc/06/46/72/1022064672.db2.gz POCVUPGJHZMVBM-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416054530 1022091533 /nfs/dbraw/zinc/09/15/33/1022091533.db2.gz WNLPMLLSJZOGMH-AWEZNQCLSA-N -1 3 317.335 3.518 20 0 DHADHM CC/C=C(\C)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000920505857 1022133120 /nfs/dbraw/zinc/13/31/20/1022133120.db2.gz FTLXFGRABIWHDG-QROSGCPLSA-N -1 3 320.414 3.974 20 0 DHADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000620362303 1022133612 /nfs/dbraw/zinc/13/36/12/1022133612.db2.gz SAUNYYTYRYNOLN-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc2n[n-]nc21 ZINC000183431402 1022144270 /nfs/dbraw/zinc/14/42/70/1022144270.db2.gz FPMBUTXJWNTNGH-UHFFFAOYSA-N -1 3 320.396 3.674 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1CC1CCC1 ZINC000620566390 1022182029 /nfs/dbraw/zinc/18/20/29/1022182029.db2.gz JVTASQVSHOEHOS-HNNXBMFYSA-N -1 3 305.393 3.645 20 0 DHADHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc([O-])ccc1Cl ZINC000620686891 1022236336 /nfs/dbraw/zinc/23/63/36/1022236336.db2.gz KOXSIMPPGJIJPW-CYBMUJFWSA-N -1 3 315.800 3.848 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cc(SC)ccc2C)c1 ZINC000538350401 1033040086 /nfs/dbraw/zinc/04/00/86/1033040086.db2.gz KQSGMRJXVRHZTD-UHFFFAOYSA-N -1 3 303.383 3.683 20 0 DHADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1cccc(F)c1F ZINC000766628752 1022320396 /nfs/dbraw/zinc/32/03/96/1022320396.db2.gz GUYBURAWJBSSAN-JTQLQIEISA-N -1 3 311.278 3.934 20 0 DHADHM CCc1c(C)sc(Nc2ccc(Cl)c([O-])c2)c1C(N)=O ZINC001212588199 1022352457 /nfs/dbraw/zinc/35/24/57/1022352457.db2.gz JMOBSNUBHXDEQJ-UHFFFAOYSA-N -1 3 310.806 3.820 20 0 DHADHM CCOC(=O)c1cnc(C)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212589328 1022358120 /nfs/dbraw/zinc/35/81/20/1022358120.db2.gz GATDMXFKQNPNSF-UHFFFAOYSA-N -1 3 306.749 3.669 20 0 DHADHM Nc1cc(C(F)(F)F)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589688 1022370679 /nfs/dbraw/zinc/37/06/79/1022370679.db2.gz YUBQXNUHXBTVFF-UHFFFAOYSA-N -1 3 303.671 3.785 20 0 DHADHM Nc1cnc(Nc2ccc(Cl)c([O-])c2)c(Br)c1 ZINC001212590623 1022433097 /nfs/dbraw/zinc/43/30/97/1022433097.db2.gz VYDDASVBPGISNL-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OCC(F)(F)F ZINC000766766701 1022477221 /nfs/dbraw/zinc/47/72/21/1022477221.db2.gz GVEDFPWJZUBMKI-UHFFFAOYSA-N -1 3 309.715 3.519 20 0 DHADHM FC(F)(F)c1ccccc1C1(Nc2ccc(=S)[n-]n2)CC1 ZINC001169635621 1022481109 /nfs/dbraw/zinc/48/11/09/1022481109.db2.gz WMXILFVTTJSFQG-UHFFFAOYSA-N -1 3 311.332 3.885 20 0 DHADHM COC(=O)c1ccc(F)c(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212592536 1022490581 /nfs/dbraw/zinc/49/05/81/1022490581.db2.gz VIARRNJZDYVFSY-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COC(=O)C1(c2ccc(Nc3ccc(Cl)c([O-])c3)cc2)CC1 ZINC001212593078 1022493541 /nfs/dbraw/zinc/49/35/41/1022493541.db2.gz CDIHOCSKUGNFEZ-UHFFFAOYSA-N -1 3 317.772 3.994 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)c(Br)c1 ZINC000854662116 1022508945 /nfs/dbraw/zinc/50/89/45/1022508945.db2.gz QELNKJPJYHRCPJ-ZETCQYMHSA-N -1 3 324.140 3.811 20 0 DHADHM CCc1cc(=O)[n-]c(CSC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000461238699 1033059439 /nfs/dbraw/zinc/05/94/39/1033059439.db2.gz DECZEUYBYKWRBC-ZFWWWQNUSA-N -1 3 300.427 3.782 20 0 DHADHM CCOC(=O)c1ccc(NCc2ncccc2[O-])c2ccccc12 ZINC001169732019 1022525811 /nfs/dbraw/zinc/52/58/11/1022525811.db2.gz KKNDVWCFXKAGAJ-UHFFFAOYSA-N -1 3 322.364 3.729 20 0 DHADHM COCCOc1c(F)cccc1Nc1ccc(Cl)c([O-])c1 ZINC001212594915 1022541665 /nfs/dbraw/zinc/54/16/65/1022541665.db2.gz CXRMYRKVHWYXIU-UHFFFAOYSA-N -1 3 311.740 3.954 20 0 DHADHM CN(C)C(=O)Oc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212594910 1022548507 /nfs/dbraw/zinc/54/85/07/1022548507.db2.gz CSBYXRMCIHNRQD-UHFFFAOYSA-N -1 3 306.749 3.850 20 0 DHADHM COC(=O)c1cc(F)cc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212595548 1022560364 /nfs/dbraw/zinc/56/03/64/1022560364.db2.gz YVHUTLNBZDMVGN-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM CSc1c(F)cc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000417035517 1022570349 /nfs/dbraw/zinc/57/03/49/1022570349.db2.gz RMUVMCZUBQRNHC-UHFFFAOYSA-N -1 3 323.368 3.672 20 0 DHADHM Cc1ccc([O-])c(CN2CC[C@@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338968175 1022594837 /nfs/dbraw/zinc/59/48/37/1022594837.db2.gz LRPSCYFJGKDKCA-KRWDZBQOSA-N -1 3 320.795 3.820 20 0 DHADHM [O-]c1coc2cc(OCc3ccc(OC(F)(F)F)cc3)ccc12 ZINC000390105336 1022631893 /nfs/dbraw/zinc/63/18/93/1022631893.db2.gz ITLFNVLPWYFLFD-UHFFFAOYSA-N -1 3 324.254 3.739 20 0 DHADHM CC12CC(C1)CN2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000621215760 1022635231 /nfs/dbraw/zinc/63/52/31/1022635231.db2.gz RPVHGZBUXLCVOY-UHFFFAOYSA-N -1 3 321.420 3.802 20 0 DHADHM CCN(Cc1occc1C)C(=O)c1cc(SC)ccc1[O-] ZINC000616297235 1022685261 /nfs/dbraw/zinc/68/52/61/1022685261.db2.gz HEJAPVWISCEQRJ-UHFFFAOYSA-N -1 3 305.399 3.678 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccnc3ccccc32)CC1 ZINC001137580441 1022701125 /nfs/dbraw/zinc/70/11/25/1022701125.db2.gz IJUXQUJXAYQZJA-UHFFFAOYSA-N -1 3 322.339 3.750 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](CCF)C1 ZINC000855828694 1022706292 /nfs/dbraw/zinc/70/62/92/1022706292.db2.gz OTTFJIKWALYERP-NSHDSACASA-N -1 3 307.390 3.819 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001137580470 1022754043 /nfs/dbraw/zinc/75/40/43/1022754043.db2.gz JRBNLBUEZMVICR-CYBMUJFWSA-N -1 3 323.270 3.570 20 0 DHADHM Cc1cccc2c1CCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000621665589 1022810429 /nfs/dbraw/zinc/81/04/29/1022810429.db2.gz IIXLPUGTCNUMFB-UHFFFAOYSA-N -1 3 307.393 3.782 20 0 DHADHM O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc2n[n-]nc21 ZINC000163537572 1022918873 /nfs/dbraw/zinc/91/88/73/1022918873.db2.gz FNGNBGLADLLOGS-UHFFFAOYSA-N -1 3 322.368 3.532 20 0 DHADHM CCCn1ccc2cc(NC(=O)c3cccc4n[n-]nc43)ccc21 ZINC000163596163 1022921031 /nfs/dbraw/zinc/92/10/31/1022921031.db2.gz SLPRDQKJMBQKKQ-UHFFFAOYSA-N -1 3 319.368 3.575 20 0 DHADHM O=C(NCC[C@H]1CC1(Cl)Cl)c1cc([O-])c2ccccc2c1 ZINC000857383144 1023000858 /nfs/dbraw/zinc/00/08/58/1023000858.db2.gz DSTATAIZJLLPPZ-LBPRGKRZSA-N -1 3 324.207 3.859 20 0 DHADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1[n-]cnc1C(F)(F)F ZINC000857433483 1023005088 /nfs/dbraw/zinc/00/50/88/1023005088.db2.gz DREWEMRGSIRTQO-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1nc[n-]c1C(F)(F)F ZINC000857433483 1023005095 /nfs/dbraw/zinc/00/50/95/1023005095.db2.gz DREWEMRGSIRTQO-UHFFFAOYSA-N -1 3 323.196 3.700 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1(F)F ZINC000622057267 1023010023 /nfs/dbraw/zinc/01/00/23/1023010023.db2.gz WBBKQEUZBRVFEC-MRVPVSSYSA-N -1 3 323.261 3.528 20 0 DHADHM O=C(CCCOc1ccc2c(c1)CCC2)[N-]OC1CCCCC1 ZINC000857492054 1023022514 /nfs/dbraw/zinc/02/25/14/1023022514.db2.gz BLLIHXMJDNTBQH-UHFFFAOYSA-N -1 3 317.429 3.715 20 0 DHADHM O=C(NC[C@H]1CCCC1(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622089451 1023026746 /nfs/dbraw/zinc/02/67/46/1023026746.db2.gz SIZFOEUQCYEFGN-SECBINFHSA-N -1 3 323.261 3.576 20 0 DHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 ZINC000263583108 1023039195 /nfs/dbraw/zinc/03/91/95/1023039195.db2.gz ZLWGIFYMUHTHKZ-XHDPSFHLSA-N -1 3 314.212 3.680 20 0 DHADHM C[C@H]1[C@@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000622110372 1023039662 /nfs/dbraw/zinc/03/96/62/1023039662.db2.gz YCWXROPSICCTTF-OPRDCNLKSA-N -1 3 301.308 3.528 20 0 DHADHM Cc1cc(Cl)ccc1CO[N-]C(=O)CCOc1ccccc1 ZINC000768922361 1023057045 /nfs/dbraw/zinc/05/70/45/1023057045.db2.gz MJQMVMGSRSPUEO-UHFFFAOYSA-N -1 3 319.788 3.665 20 0 DHADHM CCc1csc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000622356735 1023125353 /nfs/dbraw/zinc/12/53/53/1023125353.db2.gz XNWYCEGHNBZSLX-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM O=C([N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C(F)F ZINC000194745071 1023188672 /nfs/dbraw/zinc/18/86/72/1023188672.db2.gz TULKIJVEFSHZSK-CYBMUJFWSA-N -1 3 313.706 3.950 20 0 DHADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OCCC(F)(F)F ZINC000162756715 1023201193 /nfs/dbraw/zinc/20/11/93/1023201193.db2.gz KYXRKWJOTFBDPC-UHFFFAOYSA-N -1 3 316.106 3.536 20 0 DHADHM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1F ZINC000769888977 1023241467 /nfs/dbraw/zinc/24/14/67/1023241467.db2.gz HEQOZSCDQOPMBX-UHFFFAOYSA-N -1 3 323.389 3.759 20 0 DHADHM CCOC(=O)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC001213977359 1033116207 /nfs/dbraw/zinc/11/62/07/1033116207.db2.gz YVVKWHXMLDHBMJ-UHFFFAOYSA-N -1 3 317.732 3.562 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC(C)(C)CC(F)(F)F)c1 ZINC000613781973 1023572435 /nfs/dbraw/zinc/57/24/35/1023572435.db2.gz KUPCSDFNWJPPLK-UHFFFAOYSA-N -1 3 307.337 3.575 20 0 DHADHM Cc1cc(C)c(C(=O)COC(=O)c2cc3occc3[n-]2)c(C)c1 ZINC000786029039 1023653071 /nfs/dbraw/zinc/65/30/71/1023653071.db2.gz CPHNXOYAHLZSPZ-UHFFFAOYSA-N -1 3 311.337 3.726 20 0 DHADHM O=C(OCc1cc(F)cc2cccnc21)c1cc2occc2[n-]1 ZINC000786032634 1023654124 /nfs/dbraw/zinc/65/41/24/1023654124.db2.gz LBQLEHGUSDGHET-UHFFFAOYSA-N -1 3 310.284 3.805 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1cccc2ccccc21 ZINC000786033320 1023654323 /nfs/dbraw/zinc/65/43/23/1023654323.db2.gz ZTGMSOBVAKPLKH-UHFFFAOYSA-N -1 3 319.316 3.954 20 0 DHADHM O=C(OCCOc1ccc(F)cc1Cl)c1cc2occc2[n-]1 ZINC000786034178 1023654540 /nfs/dbraw/zinc/65/45/40/1023654540.db2.gz XRNHUBIPIYORCM-UHFFFAOYSA-N -1 3 323.707 3.789 20 0 DHADHM Cc1nc(COC(=O)c2cc3sccc3c([O-])c2)cs1 ZINC000786135529 1023665749 /nfs/dbraw/zinc/66/57/49/1023665749.db2.gz CBCKXJZIHCTDRH-UHFFFAOYSA-N -1 3 305.380 3.729 20 0 DHADHM Cc1cc(Cl)ncc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787124460 1023763868 /nfs/dbraw/zinc/76/38/68/1023763868.db2.gz ANDJCSLUMXGCGS-UHFFFAOYSA-N -1 3 322.767 3.850 20 0 DHADHM CCc1ccc(C(=O)N[C@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000787252036 1023776342 /nfs/dbraw/zinc/77/63/42/1023776342.db2.gz QXSIARJQRFHKDI-AWEZNQCLSA-N -1 3 316.426 3.527 20 0 DHADHM CCCCN(CC)Cc1c(Br)cccc1C(=O)[O-] ZINC000652369136 1023819834 /nfs/dbraw/zinc/81/98/34/1023819834.db2.gz KTHYXOHBJWVKCX-UHFFFAOYSA-N -1 3 314.223 3.769 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(F)cc1 ZINC000787845748 1023826445 /nfs/dbraw/zinc/82/64/45/1023826445.db2.gz RJBPYTIGVVVKFZ-UHFFFAOYSA-N -1 3 306.308 3.737 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cccc(Cl)n1 ZINC000787846415 1023826765 /nfs/dbraw/zinc/82/67/65/1023826765.db2.gz WOZKOJANPIKAQY-UHFFFAOYSA-N -1 3 323.751 3.646 20 0 DHADHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000049524891 1023855805 /nfs/dbraw/zinc/85/58/05/1023855805.db2.gz YJSCDBALJBCMAY-ONGXEEELSA-N -1 3 322.257 3.850 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Cl)cc1F ZINC000788112067 1023855966 /nfs/dbraw/zinc/85/59/66/1023855966.db2.gz OOVRRDJTTULUAE-UHFFFAOYSA-N -1 3 320.654 3.629 20 0 DHADHM O=C(NCCc1cccc(F)c1)c1cc2sccc2c([O-])c1 ZINC000788264958 1023867087 /nfs/dbraw/zinc/86/70/87/1023867087.db2.gz DEHSMGWIZPBLCK-UHFFFAOYSA-N -1 3 315.369 3.719 20 0 DHADHM O=C(NCCCc1ccccc1)c1cc2sccc2c([O-])c1 ZINC000788261723 1023867194 /nfs/dbraw/zinc/86/71/94/1023867194.db2.gz CKYIIHQHBYHIJP-UHFFFAOYSA-N -1 3 311.406 3.970 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C1CC1 ZINC000652512503 1023902928 /nfs/dbraw/zinc/90/29/28/1023902928.db2.gz JHXISEANNNGNBM-UONOGXRCSA-N -1 3 314.212 3.536 20 0 DHADHM CC(C)c1ccc([C@H](C)CC(=O)[N-]OC2CCOCC2)cc1 ZINC000772723524 1023921028 /nfs/dbraw/zinc/92/10/28/1023921028.db2.gz XGYADEOLPOWNRC-CQSZACIVSA-N -1 3 305.418 3.530 20 0 DHADHM COc1cccc([C@H](C)CCCC(=O)[N-]OC2CCCC2)c1 ZINC000788758600 1023930463 /nfs/dbraw/zinc/93/04/63/1023930463.db2.gz KPTSSXXAQXTHMF-CQSZACIVSA-N -1 3 305.418 3.959 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)C1CCCCCC1 ZINC000788900463 1023950841 /nfs/dbraw/zinc/95/08/41/1023950841.db2.gz RKFVWUXQKPZTBX-UHFFFAOYSA-N -1 3 305.399 3.926 20 0 DHADHM C/C=C(/CC)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000789226020 1024030049 /nfs/dbraw/zinc/03/00/49/1024030049.db2.gz FKAALVYICTZOQO-ISAHRAOESA-N -1 3 320.414 3.974 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)nc2)CC)n1 ZINC000789829818 1024172443 /nfs/dbraw/zinc/17/24/43/1024172443.db2.gz VXHXATHCOKYJGC-XYOKQWHBSA-N -1 3 303.793 3.721 20 0 DHADHM O=c1ccnc(C=Cc2cc(Br)c(Cl)s2)[n-]1 ZINC000790218830 1024246915 /nfs/dbraw/zinc/24/69/15/1024246915.db2.gz CUJCVBMMOABRCU-UPHRSURJSA-N -1 3 317.595 3.830 20 0 DHADHM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1ccc([O-])cc1 ZINC000746904203 1024291970 /nfs/dbraw/zinc/29/19/70/1024291970.db2.gz RYUATMPPXJYBOT-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM O=C(CCC1CCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746937359 1024348457 /nfs/dbraw/zinc/34/84/57/1024348457.db2.gz BANMGTFLGQVELU-UHFFFAOYSA-N -1 3 301.308 3.834 20 0 DHADHM CN(CCCCCC(=O)[O-])Cc1csc(Br)c1 ZINC000071286412 1024423666 /nfs/dbraw/zinc/42/36/66/1024423666.db2.gz RCMQCHIMOKBTCS-UHFFFAOYSA-N -1 3 320.252 3.587 20 0 DHADHM CC(C)(C)C1=CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000270509014 1024399355 /nfs/dbraw/zinc/39/93/55/1024399355.db2.gz XPULCXTXMQBTPY-UHFFFAOYSA-N -1 3 310.397 3.759 20 0 DHADHM CCc1ccc(-c2nc(C3(OC)CCCCC3)no2)c([O-])c1 ZINC000453228411 1024413504 /nfs/dbraw/zinc/41/35/04/1024413504.db2.gz DUYCETILCNPBHP-UHFFFAOYSA-N -1 3 302.374 3.810 20 0 DHADHM O=c1ccnc(C=Cc2cccc(OCc3ccccc3F)c2)[n-]1 ZINC000131731444 1024429465 /nfs/dbraw/zinc/42/94/65/1024429465.db2.gz MPLSKMROLYYHPV-CMDGGOBGSA-N -1 3 322.339 3.658 20 0 DHADHM CC(C)c1ccc(C(=O)N(Cc2ccccn2)C2CC2)c([O-])c1 ZINC000271243178 1024475196 /nfs/dbraw/zinc/47/51/96/1024475196.db2.gz ZMDVHDTWINDCFF-UHFFFAOYSA-N -1 3 310.397 3.715 20 0 DHADHM CC(C)c1ccc(C(=O)N(Cc2ccncc2)C2CC2)c([O-])c1 ZINC000271308801 1024486013 /nfs/dbraw/zinc/48/60/13/1024486013.db2.gz WHPVMWUMBIEOGQ-UHFFFAOYSA-N -1 3 310.397 3.715 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])NC1CCCCC1 ZINC001202614797 1024608484 /nfs/dbraw/zinc/60/84/84/1024608484.db2.gz RPBWFFUVICGLKY-UHFFFAOYSA-N -1 3 313.195 3.609 20 0 DHADHM Cc1ccc(-c2nc(CNCc3cc([O-])cc(F)c3)co2)cc1 ZINC000349561980 1024727071 /nfs/dbraw/zinc/72/70/71/1024727071.db2.gz CPRZBBDOBAZCBX-UHFFFAOYSA-N -1 3 312.344 3.785 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C)cc1[O-])CCC2 ZINC000110530268 1024730472 /nfs/dbraw/zinc/73/04/72/1024730472.db2.gz BGWWKSPRUSRGTM-CQSZACIVSA-N -1 3 316.426 3.615 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C)cc1[O-])CCC2 ZINC000110530270 1024730904 /nfs/dbraw/zinc/73/09/04/1024730904.db2.gz BGWWKSPRUSRGTM-AWEZNQCLSA-N -1 3 316.426 3.615 20 0 DHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(Cl)cc1 ZINC000800205258 1024739492 /nfs/dbraw/zinc/73/94/92/1024739492.db2.gz FLZMYGJFSODQGN-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(Cl)cc1 ZINC000800205258 1024739504 /nfs/dbraw/zinc/73/95/04/1024739504.db2.gz FLZMYGJFSODQGN-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000800205258 1024739512 /nfs/dbraw/zinc/73/95/12/1024739512.db2.gz FLZMYGJFSODQGN-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2nc(C(C)C)oc2C)s1 ZINC000350703374 1024839239 /nfs/dbraw/zinc/83/92/39/1024839239.db2.gz VDOHTQUACYXCEG-UHFFFAOYSA-N -1 3 322.434 3.943 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000031030174 1024847752 /nfs/dbraw/zinc/84/77/52/1024847752.db2.gz YUECKNLBNUTOMQ-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM O=C(Oc1ccc2c(c1)CCCO2)c1cccc(Cl)c1[O-] ZINC001274793425 1024865889 /nfs/dbraw/zinc/86/58/89/1024865889.db2.gz YRVHDNCFRFPZSY-UHFFFAOYSA-N -1 3 304.729 3.590 20 0 DHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2)o1 ZINC000263339235 1024927623 /nfs/dbraw/zinc/92/76/23/1024927623.db2.gz NDDCZFXHAWVLDH-KBPBESRZSA-N -1 3 315.369 3.757 20 0 DHADHM Cc1ccn(-c2ccc(NCc3c(F)ccc([O-])c3F)cc2)n1 ZINC000353384302 1025047076 /nfs/dbraw/zinc/04/70/76/1025047076.db2.gz CYKKUADFDZALEM-UHFFFAOYSA-N -1 3 315.323 3.777 20 0 DHADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ncccc1[O-] ZINC000353564396 1025133145 /nfs/dbraw/zinc/13/31/45/1025133145.db2.gz SJEWQYBCJRXGSP-UHFFFAOYSA-N -1 3 324.302 3.767 20 0 DHADHM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ccon1 ZINC000793763287 1025155703 /nfs/dbraw/zinc/15/57/03/1025155703.db2.gz ABNNBADWGZFULF-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM CSCCO[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000794184121 1025232668 /nfs/dbraw/zinc/23/26/68/1025232668.db2.gz PEVSTNANEWELGT-JTQLQIEISA-N -1 3 321.364 3.610 20 0 DHADHM [O-]c1ccc(F)c(CNc2cc(C(F)(F)F)ccn2)c1F ZINC000438934245 1025431795 /nfs/dbraw/zinc/43/17/95/1025431795.db2.gz VNCIIQLOEBIVGT-UHFFFAOYSA-N -1 3 304.218 3.696 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000137867679 1025902296 /nfs/dbraw/zinc/90/22/96/1025902296.db2.gz ZXTYRFISMHOKQS-UHFFFAOYSA-N -1 3 322.440 3.538 20 0 DHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(F)F)c1 ZINC000747372602 1026023995 /nfs/dbraw/zinc/02/39/95/1026023995.db2.gz NGCHHBFFPFFLRD-UHFFFAOYSA-N -1 3 321.327 3.804 20 0 DHADHM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])c(Cl)n1 ZINC000807151709 1026025590 /nfs/dbraw/zinc/02/55/90/1026025590.db2.gz MVNHXJTVQCJXGQ-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1csc([C@@H]2CCCO2)n1 ZINC000121653378 1026149176 /nfs/dbraw/zinc/14/91/76/1026149176.db2.gz XKUFDFVJDNTXPS-NSHDSACASA-N -1 3 310.325 3.525 20 0 DHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2Cl)c1[O-] ZINC000808188412 1026221090 /nfs/dbraw/zinc/22/10/90/1026221090.db2.gz WEKWBIWXPZXOJP-KTKRTIGZSA-N -1 3 315.756 3.900 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1[O-] ZINC000408471078 1026440342 /nfs/dbraw/zinc/44/03/42/1026440342.db2.gz XTEAIKGVUHLGQM-IBGZPJMESA-N -1 3 313.397 3.557 20 0 DHADHM O=C(Cc1ccc(Cl)s1)Nc1ccc(Cl)cc1[O-] ZINC000513620555 1026547731 /nfs/dbraw/zinc/54/77/31/1026547731.db2.gz AHQIREATVHJFII-UHFFFAOYSA-N -1 3 302.182 3.942 20 0 DHADHM COCCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419479588 1026721248 /nfs/dbraw/zinc/72/12/48/1026721248.db2.gz SYZSOOUIXUFXCO-UHFFFAOYSA-N -1 3 304.415 3.509 20 0 DHADHM CO[C@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810548238 1026787582 /nfs/dbraw/zinc/78/75/82/1026787582.db2.gz UJCZMRSPJIJCRX-UWVGGRQHSA-N -1 3 313.806 3.997 20 0 DHADHM C[C@@H]1CC(OC(=O)c2cc3cc(Cl)sc3[n-]2)C[C@@H](C)O1 ZINC000810672949 1026823573 /nfs/dbraw/zinc/82/35/73/1026823573.db2.gz QAGCWRUYLWQPTN-HTQZYQBOSA-N -1 3 313.806 3.996 20 0 DHADHM COC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCCC1 ZINC000810720832 1026833391 /nfs/dbraw/zinc/83/33/91/1026833391.db2.gz QCBSXMXEUJHENV-UHFFFAOYSA-N -1 3 313.806 3.999 20 0 DHADHM CCOC1CC(COC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810875273 1026870711 /nfs/dbraw/zinc/87/07/11/1026870711.db2.gz XIDDXSFNDQRCFK-UHFFFAOYSA-N -1 3 313.806 3.855 20 0 DHADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(N(C)C)cn1 ZINC000810974274 1026902654 /nfs/dbraw/zinc/90/26/54/1026902654.db2.gz WEEIYOYWKFAQKM-JTQLQIEISA-N -1 3 315.398 3.608 20 0 DHADHM COc1ccc(C(C)=O)cc1OC(=O)c1cc2ccsc2[n-]1 ZINC000811192326 1026952061 /nfs/dbraw/zinc/95/20/61/1026952061.db2.gz UUCGHIPZXUHDDH-UHFFFAOYSA-N -1 3 315.350 3.660 20 0 DHADHM Cc1ncsc1COC(=O)c1cc2sccc2c([O-])c1 ZINC000811201226 1026955520 /nfs/dbraw/zinc/95/55/20/1026955520.db2.gz CKCBKRLHFORSHX-UHFFFAOYSA-N -1 3 305.380 3.729 20 0 DHADHM COc1cc(COC(=O)c2cc3cc(Cl)sc3[n-]2)ccn1 ZINC000811394909 1026992239 /nfs/dbraw/zinc/99/22/39/1026992239.db2.gz MFKBEPVCFQDGMQ-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM [O-]c1cccc(CN2CCC(OC3CCCC3)CC2)c1Cl ZINC000295239674 1027157127 /nfs/dbraw/zinc/15/71/27/1027157127.db2.gz DRMXNOCSIZYQLP-UHFFFAOYSA-N -1 3 309.837 3.969 20 0 DHADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812398917 1027258915 /nfs/dbraw/zinc/25/89/15/1027258915.db2.gz CRBBEQQYCBTCEU-WTKPLQERSA-N -1 3 323.820 3.784 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)c1cccc(C(F)(F)F)c1 ZINC000812401150 1027261074 /nfs/dbraw/zinc/26/10/74/1027261074.db2.gz VWFCSXVSKSYKQY-XICOKMJESA-N -1 3 321.726 3.999 20 0 DHADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OC/C=C\Cl ZINC000812405672 1027283218 /nfs/dbraw/zinc/28/32/18/1027283218.db2.gz DKMQLMMQXDAFFP-BHQIHCQQSA-N -1 3 308.592 3.726 20 0 DHADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cnccn1 ZINC000157469380 1027303237 /nfs/dbraw/zinc/30/32/37/1027303237.db2.gz ZYXQONWRQSLCMV-UHFFFAOYSA-N -1 3 315.732 3.697 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2c(F)ccc([O-])c2F)s1 ZINC000295510079 1027310851 /nfs/dbraw/zinc/31/08/51/1027310851.db2.gz ZCIYUGOBYUQSOL-SECBINFHSA-N -1 3 312.385 3.937 20 0 DHADHM C[C@H](CC(=O)[N-]OC1CCC1)c1ccccc1C(F)(F)F ZINC000812795714 1027423152 /nfs/dbraw/zinc/42/31/52/1027423152.db2.gz ACXSRUAEPVSVII-SNVBAGLBSA-N -1 3 301.308 3.799 20 0 DHADHM CCCCC[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000362958903 1027466623 /nfs/dbraw/zinc/46/66/23/1027466623.db2.gz TYOMVBWEHFITHH-LBPRGKRZSA-N -1 3 305.447 3.942 20 0 DHADHM O=C(CCc1ccc2ccccc2n1)[N-]OCc1ccc(F)cc1 ZINC000813515956 1027656413 /nfs/dbraw/zinc/65/64/13/1027656413.db2.gz DXIHMZLABJIOOY-UHFFFAOYSA-N -1 3 324.355 3.555 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(C)c2Cl)c1[O-] ZINC000576975748 1027687071 /nfs/dbraw/zinc/68/70/71/1027687071.db2.gz YBUIQEMGUKDNDL-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000448691846 1027972166 /nfs/dbraw/zinc/97/21/66/1027972166.db2.gz UEALBWYKSUXPEB-CQSZACIVSA-N -1 3 319.401 3.671 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000577921706 1027990635 /nfs/dbraw/zinc/99/06/35/1027990635.db2.gz QOKYRPZFFPJOJJ-QZTJIDSGSA-N -1 3 303.361 3.831 20 0 DHADHM FC(F)c1nnc([N-][C@H]2CC3(CCC3)Oc3ccccc32)o1 ZINC000814364115 1028016594 /nfs/dbraw/zinc/01/65/94/1028016594.db2.gz UQFCZMHTJDCKGG-JTQLQIEISA-N -1 3 307.300 3.866 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000448744301 1028034194 /nfs/dbraw/zinc/03/41/94/1028034194.db2.gz OIVLPIDTOUPXQL-LBPRGKRZSA-N -1 3 319.351 3.823 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448789601 1028069081 /nfs/dbraw/zinc/06/90/81/1028069081.db2.gz BZYSOIOJWOZTBX-LBPRGKRZSA-N -1 3 317.360 3.890 20 0 DHADHM CCCNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000160127433 1028457734 /nfs/dbraw/zinc/45/77/34/1028457734.db2.gz BRUAUHAUBCSVMC-UHFFFAOYSA-N -1 3 318.804 3.798 20 0 DHADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000188206022 1028500570 /nfs/dbraw/zinc/50/05/70/1028500570.db2.gz SPDAUVOBTNJTOQ-YRNVUSSQSA-N -1 3 316.719 3.730 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)c([O-])c1 ZINC000076404826 1028599465 /nfs/dbraw/zinc/59/94/65/1028599465.db2.gz MSEOXTOJVFVEIB-UHFFFAOYSA-N -1 3 318.804 3.836 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000627545600 1028777210 /nfs/dbraw/zinc/77/72/10/1028777210.db2.gz QGBYSPLUJYYZGY-OAHLLOKOSA-N -1 3 322.408 3.720 20 0 DHADHM Cc1cc(C)c(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)c(C)c1 ZINC000041677428 1028780576 /nfs/dbraw/zinc/78/05/76/1028780576.db2.gz SCIQMCGHSPSLGO-LICLKQGHSA-N -1 3 320.392 3.541 20 0 DHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(C(F)F)CC3)c2c1 ZINC000566975640 1028812216 /nfs/dbraw/zinc/81/22/16/1028812216.db2.gz GOTCLNOQHSUDBQ-UHFFFAOYSA-N -1 3 320.339 3.723 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000628010908 1028858142 /nfs/dbraw/zinc/85/81/42/1028858142.db2.gz GSHMUMXSRXRHMN-ZDUSSCGKSA-N -1 3 313.372 3.642 20 0 DHADHM Cc1cc(Nc2ncc(Br)cc2[O-])cc(C)c1O ZINC001211904508 1028877564 /nfs/dbraw/zinc/87/75/64/1028877564.db2.gz XHZAHQOWUDETRV-UHFFFAOYSA-N -1 3 309.163 3.616 20 0 DHADHM [O-]c1ccc(F)c(CN2CCCO[C@@H](c3ccccc3)C2)c1F ZINC000816502931 1028908761 /nfs/dbraw/zinc/90/87/61/1028908761.db2.gz WGDFKUFQEFYONH-QGZVFWFLSA-N -1 3 319.351 3.634 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)C)nc2C)c1[O-] ZINC000567901488 1028970104 /nfs/dbraw/zinc/97/01/04/1028970104.db2.gz KSOPYNDZOSAJHW-UHFFFAOYSA-N -1 3 312.369 3.674 20 0 DHADHM CC(C)(CC(=O)[N-]Oc1ccccc1)CC(=O)c1ccccc1 ZINC000816683859 1028986855 /nfs/dbraw/zinc/98/68/55/1028986855.db2.gz CDLBNVAFSOFRKX-UHFFFAOYSA-N -1 3 311.381 3.786 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]Oc1ccccc1 ZINC000816685041 1028988483 /nfs/dbraw/zinc/98/84/83/1028988483.db2.gz BFUQTIRXELEHIZ-UHFFFAOYSA-N -1 3 307.349 3.989 20 0 DHADHM CCC(CC)(CNC(=O)c1cc2sccc2c([O-])c1)OC ZINC000817056732 1029064074 /nfs/dbraw/zinc/06/40/74/1029064074.db2.gz RQVCPSIXXVACKB-UHFFFAOYSA-N -1 3 307.415 3.542 20 0 DHADHM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449926551 1029089006 /nfs/dbraw/zinc/08/90/06/1029089006.db2.gz CYMSACCTELYEKF-OAHLLOKOSA-N -1 3 317.360 3.729 20 0 DHADHM C[C@H](CC(=O)[N-]OCC1CC1)c1ccccc1C(F)(F)F ZINC000817344665 1029135471 /nfs/dbraw/zinc/13/54/71/1029135471.db2.gz OGXLJJRXZPPKMX-SNVBAGLBSA-N -1 3 301.308 3.657 20 0 DHADHM O=C([N-]OCC1CC1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000817362375 1029145911 /nfs/dbraw/zinc/14/59/11/1029145911.db2.gz LHDQERTZHJTHDM-UHFFFAOYSA-N -1 3 305.393 3.777 20 0 DHADHM COc1cccc([C@H](C)CCCC(=O)[N-]OCCC2CC2)c1 ZINC000817412962 1029152244 /nfs/dbraw/zinc/15/22/44/1029152244.db2.gz JSLRXPBJKAXALP-CQSZACIVSA-N -1 3 305.418 3.817 20 0 DHADHM Cc1cc(C)cc(CCNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000569044071 1029164931 /nfs/dbraw/zinc/16/49/31/1029164931.db2.gz YKMVTVYCEMGOSE-UHFFFAOYSA-N -1 3 303.789 3.635 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2cccc(F)c21 ZINC000155227420 1029201357 /nfs/dbraw/zinc/20/13/57/1029201357.db2.gz MGBZIMKZUKBIDA-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c([O-])c1 ZINC001135984613 1029229926 /nfs/dbraw/zinc/22/99/26/1029229926.db2.gz GKWRAJRWFVDPKQ-GOSISDBHSA-N -1 3 311.381 3.590 20 0 DHADHM CCN(CC(C)(C)C)C(=O)c1cc([O-])cc(Br)c1 ZINC000529410664 1029270015 /nfs/dbraw/zinc/27/00/15/1029270015.db2.gz COWGMJZBHPVRLD-UHFFFAOYSA-N -1 3 314.223 3.663 20 0 DHADHM C[C@@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)C[C@H](C)C1(F)F ZINC000629383067 1029323245 /nfs/dbraw/zinc/32/32/45/1029323245.db2.gz SWWZGRBNSUMFDE-PHIMTYICSA-N -1 3 320.339 3.661 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450298121 1029332455 /nfs/dbraw/zinc/33/24/55/1029332455.db2.gz LXKJUMJXYOSVAW-CWTRNNRKSA-N -1 3 313.372 3.514 20 0 DHADHM CCOC([O-])=NOCC/C=C/c1ccc(Br)cc1 ZINC000818106564 1029335477 /nfs/dbraw/zinc/33/54/77/1029335477.db2.gz VZUOEZNROIWGQZ-HWKANZROSA-N -1 3 314.179 3.530 20 0 DHADHM CCOC(=O)[N-]OCC/C=C/c1ccc(Br)cc1 ZINC000818106564 1029335487 /nfs/dbraw/zinc/33/54/87/1029335487.db2.gz VZUOEZNROIWGQZ-HWKANZROSA-N -1 3 314.179 3.530 20 0 DHADHM CC(C)COC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191264724 1029339348 /nfs/dbraw/zinc/33/93/48/1029339348.db2.gz YVAPUKPHFVSKFR-UHFFFAOYSA-N -1 3 315.816 3.822 20 0 DHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412170587 1029350878 /nfs/dbraw/zinc/35/08/78/1029350878.db2.gz SXFIDSHAMHIHJJ-BLLLJJGKSA-N -1 3 303.402 3.636 20 0 DHADHM CCCCC[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412200511 1029356672 /nfs/dbraw/zinc/35/66/72/1029356672.db2.gz HUNILUIPJLBAKG-HNNXBMFYSA-N -1 3 303.402 3.780 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2CCC(C)C)cc1[O-] ZINC000412214210 1029362881 /nfs/dbraw/zinc/36/28/81/1029362881.db2.gz UUBOCKJEJQVVNY-HNNXBMFYSA-N -1 3 303.402 3.636 20 0 DHADHM COc1cccc(CC2(C(=O)[N-]OC(C)C)CCCCC2)c1 ZINC001159691707 1029365530 /nfs/dbraw/zinc/36/55/30/1029365530.db2.gz NOGDDVRHSIBRGE-UHFFFAOYSA-N -1 3 305.418 3.644 20 0 DHADHM O=C(/C=C/c1ccccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000156259295 1029422110 /nfs/dbraw/zinc/42/21/10/1029422110.db2.gz BZQCNTLKWVYBGV-SOFGYWHQSA-N -1 3 305.736 3.514 20 0 DHADHM [O-]c1ccc(F)c(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1F ZINC000529641105 1029477137 /nfs/dbraw/zinc/47/71/37/1029477137.db2.gz JEAACDBPULVENK-XQAQDONZSA-N -1 3 321.754 3.752 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC000820147620 1029678725 /nfs/dbraw/zinc/67/87/25/1029678725.db2.gz YEZOKOQTPORNQK-MRVPVSSYSA-N -1 3 317.286 3.654 20 0 DHADHM Cc1ccc(Br)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000530896605 1030062276 /nfs/dbraw/zinc/06/22/76/1030062276.db2.gz FMBZIGWRPFTFHQ-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM O=C(CCc1nc2ccccc2o1)Nc1ccc(Cl)cc1[O-] ZINC000533160036 1030163013 /nfs/dbraw/zinc/16/30/13/1030163013.db2.gz KVZPWZFVGNCXOU-UHFFFAOYSA-N -1 3 316.744 3.758 20 0 DHADHM C[C@H]1COCC[C@H]1c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000557684248 1030244651 /nfs/dbraw/zinc/24/46/51/1030244651.db2.gz AMJHXVKSDOUKQK-SMDDNHRTSA-N -1 3 310.353 3.735 20 0 DHADHM CCCCC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001136773443 1030387493 /nfs/dbraw/zinc/38/74/93/1030387493.db2.gz BFVPKQLICFPVRD-INIZCTEOSA-N -1 3 321.417 3.846 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CCCC[C@H]2C)cc1[O-] ZINC001136791720 1030424337 /nfs/dbraw/zinc/42/43/37/1030424337.db2.gz ZAKQWQGWBVDVAE-OCCSQVGLSA-N -1 3 303.402 3.541 20 0 DHADHM [O-]c1ccc(Nc2cc(Cc3ccccc3)no2)c(F)c1F ZINC001211997765 1030487110 /nfs/dbraw/zinc/48/71/10/1030487110.db2.gz KISPIRZBBGQLAC-UHFFFAOYSA-N -1 3 302.280 3.993 20 0 DHADHM O=C(NCC1(Cc2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000291404507 1030489243 /nfs/dbraw/zinc/48/92/43/1030489243.db2.gz XKDLSKOHHJFZRJ-UHFFFAOYSA-N -1 3 315.800 3.798 20 0 DHADHM [O-]c1ccc(Nc2ncccc2Br)c(F)c1F ZINC001211997918 1030500914 /nfs/dbraw/zinc/50/09/14/1030500914.db2.gz SEIVLPJPFWKRNZ-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM O=C(CCC(=O)c1cccs1)Nc1cc(Cl)ccc1[O-] ZINC000067139027 1030523178 /nfs/dbraw/zinc/52/31/78/1030523178.db2.gz BGSWLSHMHKRXJP-UHFFFAOYSA-N -1 3 309.774 3.709 20 0 DHADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000291554214 1030548458 /nfs/dbraw/zinc/54/84/58/1030548458.db2.gz MNIPWIYQLZNHCC-VIFPVBQESA-N -1 3 303.736 3.601 20 0 DHADHM CCS[C@@H]1CC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072837657 1030582944 /nfs/dbraw/zinc/58/29/44/1030582944.db2.gz MMBLEYNUHYPFLS-GHMZBOCLSA-N -1 3 323.487 3.503 20 0 DHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCC(F)(F)CC1 ZINC000291775657 1030638369 /nfs/dbraw/zinc/63/83/69/1030638369.db2.gz UHIWMEBRLUYNTP-UHFFFAOYSA-N -1 3 320.339 3.590 20 0 DHADHM COc1ccc2c(c1Nc1ccc([O-])c(F)c1F)C(=O)CC2 ZINC001212013910 1030661557 /nfs/dbraw/zinc/66/15/57/1030661557.db2.gz PLAPPZCDKACRTN-UHFFFAOYSA-N -1 3 305.280 3.552 20 0 DHADHM [O-]c1ccc(Nc2ccc(OC3CCOCC3)cc2)c(F)c1F ZINC001212013859 1030662430 /nfs/dbraw/zinc/66/24/30/1030662430.db2.gz MUDCONMTHPZTSD-UHFFFAOYSA-N -1 3 321.323 3.972 20 0 DHADHM COC(=O)/C=C/c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212016619 1030675924 /nfs/dbraw/zinc/67/59/24/1030675924.db2.gz YYQXENLSUOWDGX-RUDMXATFSA-N -1 3 305.280 3.600 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3)n[n-]2)o1 ZINC000359012553 1030729030 /nfs/dbraw/zinc/72/90/30/1030729030.db2.gz FGFZFJIEVJHTKG-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001137002751 1030753751 /nfs/dbraw/zinc/75/37/51/1030753751.db2.gz TUOYXKTVKZCBRG-WBVHZDCISA-N -1 3 309.409 3.966 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000292046851 1030776867 /nfs/dbraw/zinc/77/68/67/1030776867.db2.gz FHPLCAYFHGIIMB-LBPRGKRZSA-N -1 3 320.364 3.507 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2F)[C@H]2CCC[C@H]21 ZINC000629373595 1030799828 /nfs/dbraw/zinc/79/98/28/1030799828.db2.gz KEBUYMJNRPMDKU-GUTXKFCHSA-N -1 3 311.784 3.554 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2oc(C)cc2C)c(F)c1F ZINC000359405061 1030948906 /nfs/dbraw/zinc/94/89/06/1030948906.db2.gz XUJAVERPWOANBT-UHFFFAOYSA-N -1 3 311.259 3.769 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCCO1 ZINC000871168515 1031150670 /nfs/dbraw/zinc/15/06/70/1031150670.db2.gz ATWVNSRIGPPPHN-KRWDZBQOSA-N -1 3 313.397 3.623 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCCCC(F)(F)F)o1 ZINC000871210252 1031160311 /nfs/dbraw/zinc/16/03/11/1031160311.db2.gz BFEAUWORSCPKQE-ZYHUDNBSSA-N -1 3 319.323 3.726 20 0 DHADHM CCc1nc(C(C)C)ccc1CSc1ncc(C(=O)OC)[n-]1 ZINC000292762383 1031160453 /nfs/dbraw/zinc/16/04/53/1031160453.db2.gz WSIASZMUOGMAPE-UHFFFAOYSA-N -1 3 319.430 3.569 20 0 DHADHM O=C(CCSc1ccccc1)[N-]OCCCC(F)(F)F ZINC000871209782 1031160528 /nfs/dbraw/zinc/16/05/28/1031160528.db2.gz FICROGABPKAKDH-UHFFFAOYSA-N -1 3 307.337 3.559 20 0 DHADHM C[C@H](CCc1ccccc1F)C(=O)[N-]OCCCC(F)(F)F ZINC000871212854 1031163286 /nfs/dbraw/zinc/16/32/86/1031163286.db2.gz GRUAUQDVOIAUTD-LLVKDONJSA-N -1 3 321.314 3.785 20 0 DHADHM CCC1(C(=O)[N-]OCCCC(F)(F)F)CCC(F)(F)CC1 ZINC000871217765 1031167155 /nfs/dbraw/zinc/16/71/55/1031167155.db2.gz RXCDRTKOLNSDFA-UHFFFAOYSA-N -1 3 317.298 3.982 20 0 DHADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccncc1 ZINC000349995634 1031261150 /nfs/dbraw/zinc/26/11/50/1031261150.db2.gz YBOLMHIWPVVZGL-QGZVFWFLSA-N -1 3 306.365 3.822 20 0 DHADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nn(CC)nc1C ZINC000293107440 1031330652 /nfs/dbraw/zinc/33/06/52/1031330652.db2.gz PGCQLKQRROMAEK-UHFFFAOYSA-N -1 3 324.837 3.624 20 0 DHADHM CCc1ccc(-c2nc(-c3c(C)nsc3C)no2)c([O-])c1 ZINC000293167642 1031356177 /nfs/dbraw/zinc/35/61/77/1031356177.db2.gz YJFMLYYVMUNMCM-UHFFFAOYSA-N -1 3 301.371 3.745 20 0 DHADHM Cc1nc2ccccc2c(C(=O)Nc2cccc3c2COC3)c1[O-] ZINC001149197856 1031361472 /nfs/dbraw/zinc/36/14/72/1031361472.db2.gz OXFNUSPSSCLFSY-UHFFFAOYSA-N -1 3 320.348 3.531 20 0 DHADHM CC(C)c1ccc(-c2nc(CCC3CCOCC3)no2)c([O-])c1 ZINC000293209743 1031378042 /nfs/dbraw/zinc/37/80/42/1031378042.db2.gz PXFOEGNHXJUGTG-UHFFFAOYSA-N -1 3 316.401 3.925 20 0 DHADHM CCOc1cc(CN[C@H](C)c2cccc([O-])c2F)ccc1OC ZINC000872035377 1031420153 /nfs/dbraw/zinc/42/01/53/1031420153.db2.gz ODSACKGYYVODJI-GFCCVEGCSA-N -1 3 319.376 3.789 20 0 DHADHM C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC000872049076 1031436302 /nfs/dbraw/zinc/43/63/02/1031436302.db2.gz PKGXTUNENCJNPC-ZANVPECISA-N -1 3 307.752 3.969 20 0 DHADHM Nc1ccc(C(=O)OC[C@@H]2CCCCC2(F)F)c([O-])c1Cl ZINC000845191612 1031498639 /nfs/dbraw/zinc/49/86/39/1031498639.db2.gz KDPVDHCECJNNFT-QMMMGPOBSA-N -1 3 319.735 3.610 20 0 DHADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000031722582 1031608761 /nfs/dbraw/zinc/60/87/61/1031608761.db2.gz UVPZDPSSNOSDGE-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1Cc2ccccc21 ZINC000476126265 1031683843 /nfs/dbraw/zinc/68/38/43/1031683843.db2.gz AKXWBGFVVXQDQD-LBPRGKRZSA-N -1 3 307.271 3.689 20 0 DHADHM [O-]c1cc(F)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c(F)c1 ZINC001144561669 1031712426 /nfs/dbraw/zinc/71/24/26/1031712426.db2.gz KWVMESBBYJOVSR-TXEJJXNPSA-N -1 3 301.336 3.757 20 0 DHADHM CC[C@@H](Nc1ccc2nc(C(=O)OC)[n-]c2n1)c1ccccc1C ZINC001171201103 1031749557 /nfs/dbraw/zinc/74/95/57/1031749557.db2.gz GKGCIVJWOGISTK-CYBMUJFWSA-N -1 3 324.384 3.616 20 0 DHADHM CC[C@@H](Nc1ccc2[n-]c(C(=O)OC)nc2n1)c1ccccc1C ZINC001171201103 1031749571 /nfs/dbraw/zinc/74/95/71/1031749571.db2.gz GKGCIVJWOGISTK-CYBMUJFWSA-N -1 3 324.384 3.616 20 0 DHADHM CC[C@@H](Nc1ccc2nc(C(=O)OC)nc-2[n-]1)c1ccccc1C ZINC001171201103 1031749585 /nfs/dbraw/zinc/74/95/85/1031749585.db2.gz GKGCIVJWOGISTK-CYBMUJFWSA-N -1 3 324.384 3.616 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001144633444 1031780310 /nfs/dbraw/zinc/78/03/10/1031780310.db2.gz VXTSEMVQIZWPPP-OAHLLOKOSA-N -1 3 323.314 3.620 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NCCCCC1CCCCC1 ZINC001144636916 1031783907 /nfs/dbraw/zinc/78/39/07/1031783907.db2.gz XGZQHKKYSKLTLT-UHFFFAOYSA-N -1 3 307.409 3.941 20 0 DHADHM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000561302211 1031812679 /nfs/dbraw/zinc/81/26/79/1031812679.db2.gz ZUZRTINOMPGIBD-ZFWWWQNUSA-N -1 3 312.413 3.617 20 0 DHADHM COc1cccc(CCCN(C)Cc2cc(F)c([O-])cc2F)c1 ZINC001144659495 1031815043 /nfs/dbraw/zinc/81/50/43/1031815043.db2.gz KTMKIKUGTOVNBX-UHFFFAOYSA-N -1 3 321.367 3.744 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC001144678113 1031819988 /nfs/dbraw/zinc/81/99/88/1031819988.db2.gz OUQXKLBHONJQRN-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM CC(C)Oc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000294315558 1031931353 /nfs/dbraw/zinc/93/13/53/1031931353.db2.gz XQFVHDGRWCLBKV-UHFFFAOYSA-N -1 3 306.793 3.518 20 0 DHADHM CC[C@H]1c2ccsc2CCN1Cc1ccccc1CC(=O)[O-] ZINC000846237762 1031939861 /nfs/dbraw/zinc/93/98/61/1031939861.db2.gz JVROATBLFMMKAB-INIZCTEOSA-N -1 3 315.438 3.885 20 0 DHADHM Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)c(Cl)n1 ZINC000842026819 1031957551 /nfs/dbraw/zinc/95/75/51/1031957551.db2.gz BPDOMPXLGWIMHA-UHFFFAOYSA-N -1 3 318.804 3.614 20 0 DHADHM CCCOc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777961063 1032046512 /nfs/dbraw/zinc/04/65/12/1032046512.db2.gz DHEGULXDCSEGQS-UHFFFAOYSA-N -1 3 305.418 3.789 20 0 DHADHM CC[C@@H](CC(=O)[N-]OC1CCCCC1)c1ccc(OC)cc1 ZINC000777962980 1032056458 /nfs/dbraw/zinc/05/64/58/1032056458.db2.gz HMTMNVOWMQUQDV-AWEZNQCLSA-N -1 3 305.418 3.959 20 0 DHADHM CCc1ccc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000877933682 1033521493 /nfs/dbraw/zinc/52/14/93/1033521493.db2.gz YGYOMQCCWHQNPI-UHFFFAOYSA-N -1 3 323.396 3.637 20 0 DHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCc2ccccc21 ZINC000877950488 1033526484 /nfs/dbraw/zinc/52/64/84/1033526484.db2.gz AJSKFAUTHXSORL-MRXNPFEDSA-N -1 3 321.380 3.562 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000553093503 1033591995 /nfs/dbraw/zinc/59/19/95/1033591995.db2.gz GWRFPJWNYIJTFH-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1cccc2c1N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC000878243844 1033635053 /nfs/dbraw/zinc/63/50/53/1033635053.db2.gz GYCZKJNVFSACNP-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000862179916 1033777564 /nfs/dbraw/zinc/77/75/64/1033777564.db2.gz KQPIHOXHKWHMCV-MRXNPFEDSA-N -1 3 311.381 3.713 20 0 DHADHM CCCc1c(C(=O)Nc2cc(F)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000174901442 1033966002 /nfs/dbraw/zinc/96/60/02/1033966002.db2.gz VDSRCXBSERCJCE-UHFFFAOYSA-N -1 3 318.348 3.575 20 0 DHADHM Cc1ccc(Nc2ccccc2S(C)(=O)=O)c(Cl)c1[O-] ZINC001173991577 1034023546 /nfs/dbraw/zinc/02/35/46/1034023546.db2.gz SYRNCACJQSUTCQ-UHFFFAOYSA-N -1 3 311.790 3.501 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cc1F ZINC000023346577 1034028356 /nfs/dbraw/zinc/02/83/56/1034028356.db2.gz VEYWJSCXPQPJSH-UHFFFAOYSA-N -1 3 321.304 3.547 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174065330 1034069211 /nfs/dbraw/zinc/06/92/11/1034069211.db2.gz YJDDMFMIHRWUCD-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000176627165 1034100182 /nfs/dbraw/zinc/10/01/82/1034100182.db2.gz SBKVSVJHOHFPQB-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCOc1ccc2cc(Nc3ccc(C(N)=O)c([O-])c3)ccc2c1 ZINC001174108332 1034120634 /nfs/dbraw/zinc/12/06/34/1034120634.db2.gz BBEUCAPWEQYDJH-UHFFFAOYSA-N -1 3 322.364 3.787 20 0 DHADHM CC(C)(C)NC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174126067 1034148570 /nfs/dbraw/zinc/14/85/70/1034148570.db2.gz OMYIXCMDGVZYJV-UHFFFAOYSA-N -1 3 320.339 3.942 20 0 DHADHM O=C(Nc1ccccc1)c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174161974 1034185357 /nfs/dbraw/zinc/18/53/57/1034185357.db2.gz RQSPOYGJAJBYHL-UHFFFAOYSA-N -1 3 323.327 3.922 20 0 DHADHM CCN(CC)C(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174166711 1034188922 /nfs/dbraw/zinc/18/89/22/1034188922.db2.gz XOCVNPQQZBOPDT-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000177921800 1034198004 /nfs/dbraw/zinc/19/80/04/1034198004.db2.gz QHIAHBOEYDTBRF-SJCJKPOMSA-N -1 3 315.392 3.822 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000179609810 1034318212 /nfs/dbraw/zinc/31/82/12/1034318212.db2.gz CCCKXMYIVLVQQR-UHFFFAOYSA-N -1 3 322.405 3.755 20 0 DHADHM O=c1cc(CSCc2cnc(Cl)s2)nc(C2CC2)[n-]1 ZINC000842193919 1034318413 /nfs/dbraw/zinc/31/84/13/1034318413.db2.gz IYTYYKOQCDJUDM-UHFFFAOYSA-N -1 3 313.835 3.603 20 0 DHADHM Cn1cc(-c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)cn1 ZINC001174380288 1034355159 /nfs/dbraw/zinc/35/51/59/1034355159.db2.gz PEYTWJRFARRHMS-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM CC(C)=CC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000864527895 1034376648 /nfs/dbraw/zinc/37/66/48/1034376648.db2.gz HYXJCYUWPMBBSJ-VIFPVBQESA-N -1 3 308.230 3.954 20 0 DHADHM COc1cc(Nc2cnc[n-]c2=O)ccc1OCc1ccccc1 ZINC001174442538 1034386193 /nfs/dbraw/zinc/38/61/93/1034386193.db2.gz ARMCAHMWXMGEJU-UHFFFAOYSA-N -1 3 323.352 3.513 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1ccc(N2CCCCC2)nc1 ZINC001174523106 1034480636 /nfs/dbraw/zinc/48/06/36/1034480636.db2.gz GRDNZZCXQIEMMB-UHFFFAOYSA-N -1 3 304.781 3.570 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cc(F)ccc1O ZINC001174627836 1034516281 /nfs/dbraw/zinc/51/62/81/1034516281.db2.gz GBZVTHSGACOTJC-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM [O-]c1cc(Cl)c(NC2=CCC3(CC2)OCCO3)cc1Cl ZINC001174640541 1034524560 /nfs/dbraw/zinc/52/45/60/1034524560.db2.gz WWXOHROOHASKLC-UHFFFAOYSA-N -1 3 316.184 3.922 20 0 DHADHM O=C(NCC[C@@H]1CCCC1(F)F)c1cc([O-])ccc1Cl ZINC000881586324 1034641786 /nfs/dbraw/zinc/64/17/86/1034641786.db2.gz MXBZMQUJDTUUMC-VIFPVBQESA-N -1 3 303.736 3.601 20 0 DHADHM CCOc1cc(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001175001821 1034726380 /nfs/dbraw/zinc/72/63/80/1034726380.db2.gz BSQGFHMULXBYME-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM CO[C@@H]1CCOc2c(Nc3c(F)cc([O-])cc3F)cccc21 ZINC001175099574 1034782024 /nfs/dbraw/zinc/78/20/24/1034782024.db2.gz NDYUVLCDIAOSKJ-CQSZACIVSA-N -1 3 307.296 3.884 20 0 DHADHM Cc1nonc1[N-]c1ccc(OCc2ccccc2)c(F)c1F ZINC001175084756 1034803328 /nfs/dbraw/zinc/80/33/28/1034803328.db2.gz ZUPUOQMVWLWYJI-UHFFFAOYSA-N -1 3 317.295 3.979 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cc(F)c(F)cc1F ZINC001175085733 1034804611 /nfs/dbraw/zinc/80/46/11/1034804611.db2.gz LFQYDUIQUZDMDI-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000192723908 1034815173 /nfs/dbraw/zinc/81/51/73/1034815173.db2.gz YRMQEWTXVQMJEG-SMDDNHRTSA-N -1 3 305.809 3.946 20 0 DHADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000192723924 1034815651 /nfs/dbraw/zinc/81/56/51/1034815651.db2.gz YRMQEWTXVQMJEG-RISCZKNCSA-N -1 3 305.809 3.946 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(CC)c2[O-])C1 ZINC000162878598 1034872811 /nfs/dbraw/zinc/87/28/11/1034872811.db2.gz FVCUQAMVLGJHMJ-KGLIPLIRSA-N -1 3 307.459 3.701 20 0 DHADHM CCc1cc(O)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000481540410 1034873727 /nfs/dbraw/zinc/87/37/27/1034873727.db2.gz KEOPZPVUDKZGKP-UHFFFAOYSA-N -1 3 317.360 3.761 20 0 DHADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001175247557 1034891027 /nfs/dbraw/zinc/89/10/27/1034891027.db2.gz BBTNFUQASURPFT-UHFFFAOYSA-N -1 3 313.332 3.859 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncccc2OC(F)(F)F)c1F ZINC001175263269 1034911416 /nfs/dbraw/zinc/91/14/16/1034911416.db2.gz IAFOIWYNJMGXAH-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM Cc1cnc(Br)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175263910 1034911715 /nfs/dbraw/zinc/91/17/15/1034911715.db2.gz WVOBALRLARLKQA-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(OC(F)(F)F)ccn2)c1F ZINC001175264235 1034911810 /nfs/dbraw/zinc/91/18/10/1034911810.db2.gz CYCAGNDSHRXWNN-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(N3CCCCC3)nc2)c1F ZINC001175263178 1034912559 /nfs/dbraw/zinc/91/25/59/1034912559.db2.gz PTTVTMRZJHQFNV-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccnn2Cc2ccccc2)c1F ZINC001175263929 1034912740 /nfs/dbraw/zinc/91/27/40/1034912740.db2.gz YBEXJOZSGZEGFW-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CCN(CCO)c1ccc(Nc2c(F)ccc([O-])c2F)c(C)c1 ZINC001175268408 1034913464 /nfs/dbraw/zinc/91/34/64/1034913464.db2.gz MGXFYNHAWRSQPO-UHFFFAOYSA-N -1 3 322.355 3.541 20 0 DHADHM Cc1cc(=O)oc2cc(Nc3c(F)ccc([O-])c3F)ccc12 ZINC001175264253 1034913757 /nfs/dbraw/zinc/91/37/57/1034913757.db2.gz FBCLHKQSJZDUMI-UHFFFAOYSA-N -1 3 303.264 3.829 20 0 DHADHM Cc1nccn1-c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265301 1034914231 /nfs/dbraw/zinc/91/42/31/1034914231.db2.gz KWVLFEFPCYKEMD-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175268746 1034914935 /nfs/dbraw/zinc/91/49/35/1034914935.db2.gz SGJVTQJNOAKAKK-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM Nc1cc(Cl)c(Cl)nc1Nc1c(F)ccc([O-])c1F ZINC001175265948 1034915118 /nfs/dbraw/zinc/91/51/18/1034915118.db2.gz MYCXSENKEYCVDN-UHFFFAOYSA-N -1 3 306.099 3.698 20 0 DHADHM Cc1nc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1Cl ZINC001175424939 1034978669 /nfs/dbraw/zinc/97/86/69/1034978669.db2.gz JRFNIXMYRMYHCI-UHFFFAOYSA-N -1 3 321.171 3.621 20 0 DHADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1Cl ZINC001175428936 1034979083 /nfs/dbraw/zinc/97/90/83/1034979083.db2.gz BXQOSUKKMKRSGP-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC001175432327 1034981403 /nfs/dbraw/zinc/98/14/03/1034981403.db2.gz AKLPVEDHEKSCOM-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)cc1Cl ZINC001175432281 1034981436 /nfs/dbraw/zinc/98/14/36/1034981436.db2.gz YLERVBBPCJZFDY-UHFFFAOYSA-N -1 3 307.691 3.542 20 0 DHADHM Cc1nc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc(=O)[n-]1 ZINC001175547801 1035010806 /nfs/dbraw/zinc/01/08/06/1035010806.db2.gz DAGXKYDQVBHZGL-UHFFFAOYSA-N -1 3 316.361 3.581 20 0 DHADHM CC(C)(C)OC(=O)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001175546471 1035011585 /nfs/dbraw/zinc/01/15/85/1035011585.db2.gz KTWRHVKUYOJTNB-UHFFFAOYSA-N -1 3 304.321 3.625 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000482171643 1035063987 /nfs/dbraw/zinc/06/39/87/1035063987.db2.gz QMXOPQPDFUKSNN-UHFFFAOYSA-N -1 3 307.393 3.642 20 0 DHADHM Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)cs1 ZINC000668142473 1035186484 /nfs/dbraw/zinc/18/64/84/1035186484.db2.gz JSDXCIIBPDEGMB-UHFFFAOYSA-N -1 3 321.452 3.867 20 0 DHADHM CC(C)Oc1ccc(Nc2cnc[n-]c2=O)c(C(F)(F)F)c1 ZINC001176173337 1035212157 /nfs/dbraw/zinc/21/21/57/1035212157.db2.gz ZMUUPPXAKVBTFV-UHFFFAOYSA-N -1 3 313.279 3.732 20 0 DHADHM CC(C)c1nnc([N-]c2ccc(OCc3ccccc3)nc2)o1 ZINC001176301046 1035247420 /nfs/dbraw/zinc/24/74/20/1035247420.db2.gz NLZOBSVDQOJACC-UHFFFAOYSA-N -1 3 310.357 3.911 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1 ZINC000613222849 1035284793 /nfs/dbraw/zinc/28/47/93/1035284793.db2.gz PLUWTCKNBFWVAZ-LBPRGKRZSA-N -1 3 305.443 3.766 20 0 DHADHM Cn1cc(Nc2ncc(Cl)cc2[O-])c(-c2ccccc2)n1 ZINC001176564731 1035296358 /nfs/dbraw/zinc/29/63/58/1035296358.db2.gz LDOGOWLECLDNSN-UHFFFAOYSA-N -1 3 300.749 3.585 20 0 DHADHM CN1CCc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc2C1 ZINC001176597848 1035306982 /nfs/dbraw/zinc/30/69/82/1035306982.db2.gz XGOMZINHBSKHTI-RUDMXATFSA-N -1 3 308.381 3.516 20 0 DHADHM CC(C)Oc1ncccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001176733758 1035320979 /nfs/dbraw/zinc/32/09/79/1035320979.db2.gz POCLZUSRLBNFJH-UHFFFAOYSA-N -1 3 310.357 3.504 20 0 DHADHM C[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000904013335 1035346206 /nfs/dbraw/zinc/34/62/06/1035346206.db2.gz CXUQCRYGVLAISO-SNVBAGLBSA-N -1 3 324.833 3.806 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(-c3ccccc3F)o2)C1 ZINC000904035075 1035347915 /nfs/dbraw/zinc/34/79/15/1035347915.db2.gz BTVXORFMPVBXFJ-CHWSQXEVSA-N -1 3 315.344 3.595 20 0 DHADHM CC(C)CCC[C@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000904037284 1035349272 /nfs/dbraw/zinc/34/92/72/1035349272.db2.gz XRECINFCXYENDO-ZDUSSCGKSA-N -1 3 319.779 3.987 20 0 DHADHM CCO[C@H](c1noc(-c2cccc(OC)c2[O-])n1)C1CCCC1 ZINC000904143980 1035376285 /nfs/dbraw/zinc/37/62/85/1035376285.db2.gz UBLRJEDJKNPKEI-HNNXBMFYSA-N -1 3 318.373 3.719 20 0 DHADHM CC(C)CC[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436588325 1035405756 /nfs/dbraw/zinc/40/57/56/1035405756.db2.gz SOSFTDDLLVGCHI-CYBMUJFWSA-N -1 3 319.401 3.552 20 0 DHADHM [O-]c1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)ccc1F ZINC000904752417 1035447926 /nfs/dbraw/zinc/44/79/26/1035447926.db2.gz SMSDUHDOTKIEIR-NSHDSACASA-N -1 3 306.308 3.753 20 0 DHADHM CCCC[C@H](C)NC(=O)Nc1c([O-])cccc1Br ZINC001193060752 1035557638 /nfs/dbraw/zinc/55/76/38/1035557638.db2.gz MDNRJFHJHQAGSM-VIFPVBQESA-N -1 3 315.211 3.855 20 0 DHADHM CCC(C)(C)OCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000457648617 1035583292 /nfs/dbraw/zinc/58/32/92/1035583292.db2.gz BQPNZOYYDQGELE-UHFFFAOYSA-N -1 3 305.296 3.555 20 0 DHADHM Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000535421507 1035617493 /nfs/dbraw/zinc/61/74/93/1035617493.db2.gz QYVSVIIIIRDFRM-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM Cc1cccc(C2=CCN(C(=O)c3ccccc3[O-])CC2)c1C ZINC001180320336 1035654191 /nfs/dbraw/zinc/65/41/91/1035654191.db2.gz MQXOTIGXKKJCDS-UHFFFAOYSA-N -1 3 307.393 3.939 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3nc(C)ccc3[O-])c[nH]2)cc1 ZINC001193771047 1035719413 /nfs/dbraw/zinc/71/94/13/1035719413.db2.gz UDGDBLJUEAAQMY-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747447 1035729389 /nfs/dbraw/zinc/72/93/89/1035729389.db2.gz JOZMBDXITOXUPK-MNOVXSKESA-N -1 3 315.335 3.967 20 0 DHADHM CN(CC(=O)Nc1c(Cl)ccc([O-])c1Cl)C1CCCC1 ZINC001180629733 1035731597 /nfs/dbraw/zinc/73/15/97/1035731597.db2.gz XFEAWHUSWPXIRF-UHFFFAOYSA-N -1 3 317.216 3.512 20 0 DHADHM Cc1cc(NC(=O)c2c(C)cc(O)cc2[O-])cc2scnc21 ZINC001193936679 1035765545 /nfs/dbraw/zinc/76/55/45/1035765545.db2.gz RTPMQDYAROZTGS-UHFFFAOYSA-N -1 3 314.366 3.577 20 0 DHADHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(F)c([O-])c1 ZINC001180973668 1035801211 /nfs/dbraw/zinc/80/12/11/1035801211.db2.gz MZCZPAMRNWJRTP-UHFFFAOYSA-N -1 3 318.735 3.778 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cncc(-c2ccsc2)c1 ZINC001193993269 1035809786 /nfs/dbraw/zinc/80/97/86/1035809786.db2.gz VTKUXOUTHLXJGI-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM Cc1oc([C@H](C)N2CCC(OC3CCCC3)CC2)cc1C(=O)[O-] ZINC000519830074 1035945545 /nfs/dbraw/zinc/94/55/45/1035945545.db2.gz VFBPOHVESAZONA-LBPRGKRZSA-N -1 3 321.417 3.771 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001194637759 1035973847 /nfs/dbraw/zinc/97/38/47/1035973847.db2.gz DGJKQSYAVJFYCF-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM CCCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194634052 1035974090 /nfs/dbraw/zinc/97/40/90/1035974090.db2.gz MEODWKNIQJGMHZ-UHFFFAOYSA-N -1 3 319.426 3.893 20 0 DHADHM O=C(Nc1ccc(F)c2ccccc12)c1cnc(C(F)(F)F)[n-]1 ZINC001194783960 1036020895 /nfs/dbraw/zinc/02/08/95/1036020895.db2.gz XQETWDJETDWVFQ-UHFFFAOYSA-N -1 3 323.249 3.973 20 0 DHADHM CCCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000031545330 1036173493 /nfs/dbraw/zinc/17/34/93/1036173493.db2.gz REPWDLJCXLYXFE-UHFFFAOYSA-N -1 3 306.365 3.733 20 0 DHADHM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ncccc1[O-] ZINC000541237150 1036271001 /nfs/dbraw/zinc/27/10/01/1036271001.db2.gz DYDUQUUDRICMJY-ZDUSSCGKSA-N -1 3 313.401 3.804 20 0 DHADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053456171 1036373917 /nfs/dbraw/zinc/37/39/17/1036373917.db2.gz QRJRUPHBYQWHLP-LBPRGKRZSA-N -1 3 324.355 3.500 20 0 DHADHM CCCCc1noc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000914891331 1036441399 /nfs/dbraw/zinc/44/13/99/1036441399.db2.gz HXEYMKZBOJJLCV-VIFPVBQESA-N -1 3 319.386 3.873 20 0 DHADHM COc1ccccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646624551 1036441820 /nfs/dbraw/zinc/44/18/20/1036441820.db2.gz PQCBKKMYFMQZTE-UHFFFAOYSA-N -1 3 311.259 3.672 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]2CCCC[C@H]12 ZINC000053483306 1036460610 /nfs/dbraw/zinc/46/06/10/1036460610.db2.gz DBKXJNRAPAPZOK-HBUWYVDXSA-N -1 3 324.424 3.569 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(OC2CCCC2)nc1 ZINC000541994157 1036482958 /nfs/dbraw/zinc/48/29/58/1036482958.db2.gz UEUZWPBMENHPCF-UHFFFAOYSA-N -1 3 316.332 3.500 20 0 DHADHM CC[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)(C)C ZINC001182931780 1036493292 /nfs/dbraw/zinc/49/32/92/1036493292.db2.gz VDENCDSXEUCNDP-LLVKDONJSA-N -1 3 304.394 3.774 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cnccc1-c1ccccc1 ZINC001196477595 1036542551 /nfs/dbraw/zinc/54/25/51/1036542551.db2.gz AQVZBYLGUWCAPB-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151724428 1036615022 /nfs/dbraw/zinc/61/50/22/1036615022.db2.gz HXHZSWCAUBNPJH-UHFFFAOYSA-N -1 3 324.308 3.847 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OCCc1ccccc1F ZINC000762210818 1036628923 /nfs/dbraw/zinc/62/89/23/1036628923.db2.gz JKDDNXQZKAFSLC-UHFFFAOYSA-N -1 3 323.367 3.812 20 0 DHADHM CSc1cccc(C(=O)Nc2c([O-])cccc2C(C)=O)c1F ZINC001197108769 1036688799 /nfs/dbraw/zinc/68/87/99/1036688799.db2.gz UJWSWPXSHJUNBP-UHFFFAOYSA-N -1 3 319.357 3.708 20 0 DHADHM CC(C)(CC(=O)Nc1cncc([O-])c1)c1ccccc1Cl ZINC001183871232 1036691606 /nfs/dbraw/zinc/69/16/06/1036691606.db2.gz NXZJFSMZFIPRGF-UHFFFAOYSA-N -1 3 304.777 3.747 20 0 DHADHM CC(C)(C)SCC(=O)Nc1ccc(Br)cc1[O-] ZINC000915198930 1036697327 /nfs/dbraw/zinc/69/73/27/1036697327.db2.gz WVPGAWKLMKERIO-UHFFFAOYSA-N -1 3 318.236 3.625 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(C(C)(C)C)ccn1 ZINC001184568667 1036888390 /nfs/dbraw/zinc/88/83/90/1036888390.db2.gz NQEVDKMYGVRCAB-UHFFFAOYSA-N -1 3 312.369 3.540 20 0 DHADHM O=C(Nc1ccccc1OC(F)F)c1cc([O-])ccc1Cl ZINC000236559069 1036963696 /nfs/dbraw/zinc/96/36/96/1036963696.db2.gz VOFBDEATEJXMRY-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM O=C(CCOc1ccc(Cl)cc1Cl)[N-]OC1CCCC1 ZINC000774866018 1037122148 /nfs/dbraw/zinc/12/21/48/1037122148.db2.gz KWJWOMHAPWKYDI-UHFFFAOYSA-N -1 3 318.200 3.753 20 0 DHADHM O=C(CCc1ccc(OC(F)(F)F)cc1)[N-]OC1CCCC1 ZINC000774876390 1037136597 /nfs/dbraw/zinc/13/65/97/1037136597.db2.gz XPHZVUNXUSAAQW-UHFFFAOYSA-N -1 3 317.307 3.508 20 0 DHADHM O=C(OCc1cnc(Cl)s1)c1cccc(Cl)c1[O-] ZINC000775933841 1037195686 /nfs/dbraw/zinc/19/56/86/1037195686.db2.gz QSRFMBNXKKTHGK-UHFFFAOYSA-N -1 3 304.154 3.513 20 0 DHADHM COCc1cccc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775934409 1037197286 /nfs/dbraw/zinc/19/72/86/1037197286.db2.gz XRRVWSKSJAEUCN-UHFFFAOYSA-N -1 3 306.745 3.549 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C(F)=C1CCCC1 ZINC000763024568 1037220016 /nfs/dbraw/zinc/22/00/16/1037220016.db2.gz KWVWIBJPUAFXSW-UHFFFAOYSA-N -1 3 314.154 3.891 20 0 DHADHM Cc1ccc(NC(=O)NCc2cccc(F)c2)c(Cl)c1[O-] ZINC001185825690 1037246975 /nfs/dbraw/zinc/24/69/75/1037246975.db2.gz RKMBPWBKOHZSNB-UHFFFAOYSA-N -1 3 308.740 3.815 20 0 DHADHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC001185909750 1037264799 /nfs/dbraw/zinc/26/47/99/1037264799.db2.gz ZDHWEASFNCQHFM-QWRGUYRKSA-N -1 3 319.829 3.584 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)NC(c2ccccc2)c2ccccc2)n1 ZINC000177912950 1037283177 /nfs/dbraw/zinc/28/31/77/1037283177.db2.gz RBYLHQXQXHRSRX-OAHLLOKOSA-N -1 3 319.408 3.931 20 0 DHADHM CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000069693099 1037286945 /nfs/dbraw/zinc/28/69/45/1037286945.db2.gz WTRFXHCJCDATBU-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccn1 ZINC000074934787 1037291219 /nfs/dbraw/zinc/29/12/19/1037291219.db2.gz JPHCQRVSVVBMHO-UHFFFAOYSA-N -1 3 324.405 3.858 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)N[C@H]1CCCc2ccccc21 ZINC001186460474 1037423260 /nfs/dbraw/zinc/42/32/60/1037423260.db2.gz JYMHHJWVRYKODM-INIZCTEOSA-N -1 3 324.380 3.794 20 0 DHADHM O=c1cc(CN2CCCCCCC2)c2cc(Cl)c([O-])cc2o1 ZINC000915877607 1037444604 /nfs/dbraw/zinc/44/46/04/1037444604.db2.gz XEIANGGXTGNECB-UHFFFAOYSA-N -1 3 321.804 3.918 20 0 DHADHM CC(=O)c1cccc(NC(=O)/C=C/SCc2ccco2)c1[O-] ZINC000493434386 1037446703 /nfs/dbraw/zinc/44/67/03/1037446703.db2.gz OPJYGYSZNDDSHZ-VQHVLOKHSA-N -1 3 317.366 3.573 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ncc(-c3ccccc3)o2)n1 ZINC000763207908 1037476236 /nfs/dbraw/zinc/47/62/36/1037476236.db2.gz FIAAATBEPDGDCQ-UHFFFAOYSA-N -1 3 313.382 3.579 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2ncc(-c3cccs3)o2)n1 ZINC000763210497 1037485378 /nfs/dbraw/zinc/48/53/78/1037485378.db2.gz BVKWVMIIRVLDGW-UHFFFAOYSA-N -1 3 319.411 3.641 20 0 DHADHM CCCCCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000763267581 1037542129 /nfs/dbraw/zinc/54/21/29/1037542129.db2.gz LGOJJNSRFJVYSK-INIZCTEOSA-N -1 3 306.406 3.999 20 0 DHADHM CCCCCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000763267581 1037542121 /nfs/dbraw/zinc/54/21/21/1037542121.db2.gz LGOJJNSRFJVYSK-INIZCTEOSA-N -1 3 306.406 3.999 20 0 DHADHM CC[C@H](C)c1ccc(NC(=O)c2[n-]nnc2C(F)(F)F)cc1 ZINC001187757031 1037722420 /nfs/dbraw/zinc/72/24/20/1037722420.db2.gz PEBNVTCAHOYZDK-QMMMGPOBSA-N -1 3 312.295 3.589 20 0 DHADHM CC[C@H](C)c1ccc(NC(=O)c2nn[n-]c2C(F)(F)F)cc1 ZINC001187757031 1037722439 /nfs/dbraw/zinc/72/24/39/1037722439.db2.gz PEBNVTCAHOYZDK-QMMMGPOBSA-N -1 3 312.295 3.589 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(N3CCCCC3)cn2)c1 ZINC000185481842 1037809655 /nfs/dbraw/zinc/80/96/55/1037809655.db2.gz ABRMQFCZJFUDDF-UHFFFAOYSA-N -1 3 301.365 3.529 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000185616852 1037824308 /nfs/dbraw/zinc/82/43/08/1037824308.db2.gz ZCVAHXVHXNJKOP-UHFFFAOYSA-N -1 3 324.359 3.806 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC000648966215 1037833537 /nfs/dbraw/zinc/83/35/37/1037833537.db2.gz KWGBRWANYUPYMD-MRXNPFEDSA-N -1 3 310.397 3.540 20 0 DHADHM CC(=O)c1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1 ZINC001188184306 1037838649 /nfs/dbraw/zinc/83/86/49/1037838649.db2.gz DJGVRDPBTYFNIJ-UHFFFAOYSA-N -1 3 320.348 3.631 20 0 DHADHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)cc1C ZINC000005694053 1037888056 /nfs/dbraw/zinc/88/80/56/1037888056.db2.gz MAEGUBMWNPOPPI-AWEZNQCLSA-N -1 3 312.365 3.746 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1[O-] ZINC000570906718 1037942708 /nfs/dbraw/zinc/94/27/08/1037942708.db2.gz DSHKPWJEMPACIQ-YLQAJVPDSA-N -1 3 315.413 3.636 20 0 DHADHM COc1ccc(-n2cccc2)c(NC(=O)c2c(C)cccc2[O-])c1 ZINC001188648966 1037944922 /nfs/dbraw/zinc/94/49/22/1037944922.db2.gz OQKFOXVTVLQCPN-UHFFFAOYSA-N -1 3 322.364 3.752 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc(F)c(Cl)nc1Cl ZINC001188638030 1037954998 /nfs/dbraw/zinc/95/49/98/1037954998.db2.gz GYGKGRMPYRPUKJ-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM Cc1c2cccc(C)c2oc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000065044806 1037981186 /nfs/dbraw/zinc/98/11/86/1037981186.db2.gz GTIOYDOOTXCYML-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM COC(=O)c1cnc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC000187594397 1037981139 /nfs/dbraw/zinc/98/11/39/1037981139.db2.gz JKOPTAXFHLPDFL-UHFFFAOYSA-N -1 3 317.197 3.795 20 0 DHADHM CCC(C)(C)C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001189186754 1038084869 /nfs/dbraw/zinc/08/48/69/1038084869.db2.gz YNVGRTZPERQDCW-UHFFFAOYSA-N -1 3 324.471 3.525 20 0 DHADHM COc1cccc(NC(=O)Nc2nc3c(cccc3[O-])s2)c1 ZINC001202270475 1038126038 /nfs/dbraw/zinc/12/60/38/1038126038.db2.gz YMYXFJBAOFLMNH-UHFFFAOYSA-N -1 3 315.354 3.655 20 0 DHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000572296340 1038356587 /nfs/dbraw/zinc/35/65/87/1038356587.db2.gz YXISOKXEUUVMJB-KRWDZBQOSA-N -1 3 322.474 3.733 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1csc(C(F)(F)F)n1 ZINC001191017340 1038419646 /nfs/dbraw/zinc/41/96/46/1038419646.db2.gz XELRBJSEUOCAKY-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CN(CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000572728445 1038495484 /nfs/dbraw/zinc/49/54/84/1038495484.db2.gz PJSYCZDSRGVLLT-UHFFFAOYSA-N -1 3 301.361 3.589 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2cc(F)ccc2C)c1[O-] ZINC001191411304 1038501296 /nfs/dbraw/zinc/50/12/96/1038501296.db2.gz KRWCMYXLAPPGAF-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM CC(C)c1ccccc1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001192225985 1038613165 /nfs/dbraw/zinc/61/31/65/1038613165.db2.gz PRSYLRSMKOUXEF-UHFFFAOYSA-N -1 3 312.373 3.827 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C)CC2(C)C)c1Cl ZINC001192838247 1038707356 /nfs/dbraw/zinc/70/73/56/1038707356.db2.gz JSZZQZJYBRMQPC-CYBMUJFWSA-N -1 3 322.257 3.769 20 0 DHADHM CSCCCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598697398 1038844108 /nfs/dbraw/zinc/84/41/08/1038844108.db2.gz NBNZEXLKLWNDDP-UHFFFAOYSA-N -1 3 321.364 3.674 20 0 DHADHM C[C@H](CSCCNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000592460309 1039209155 /nfs/dbraw/zinc/20/91/55/1039209155.db2.gz BXMODZVNBPXUKH-SECBINFHSA-N -1 3 322.257 3.537 20 0 DHADHM O=C(OCc1ccc(Cl)c2cccnc12)c1ccc([O-])cc1 ZINC000058651193 1039432234 /nfs/dbraw/zinc/43/22/34/1039432234.db2.gz PLIXNXCDZYYWPC-UHFFFAOYSA-N -1 3 313.740 3.951 20 0 DHADHM C[C@@H]1CC(C)(C)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000574406734 1039638136 /nfs/dbraw/zinc/63/81/36/1039638136.db2.gz UEBGAYBCQFYGNH-LLVKDONJSA-N -1 3 311.809 3.537 20 0 DHADHM COC(=O)c1c(C)[n-]c(=O)nc1SCCC1CCCCCC1 ZINC000594446813 1039783820 /nfs/dbraw/zinc/78/38/20/1039783820.db2.gz UAJHTFBHCPLHAB-UHFFFAOYSA-N -1 3 324.446 3.730 20 0 DHADHM CCc1ccc([C@@H](C)CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536953 1039923114 /nfs/dbraw/zinc/92/31/14/1039923114.db2.gz JOHAZAXDSXDYSO-ZDUSSCGKSA-N -1 3 315.388 3.904 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)c([O-])c1 ZINC000669738916 1039944746 /nfs/dbraw/zinc/94/47/46/1039944746.db2.gz JFXWKVIJEPQPIW-QGZVFWFLSA-N -1 3 317.429 3.595 20 0 DHADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000607627091 1040224675 /nfs/dbraw/zinc/22/46/75/1040224675.db2.gz COENMPIOZYVOMY-VHSXEESVSA-N -1 3 312.207 3.920 20 0 DHADHM CCC(CC)(CC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784146426 1040353753 /nfs/dbraw/zinc/35/37/53/1040353753.db2.gz FSVYRTIHOLUKCR-UHFFFAOYSA-N -1 3 318.373 3.702 20 0 DHADHM CC1(C)C[C@@H](SCc2cc(=O)[n-]c(-c3ccccc3)n2)CO1 ZINC000596365880 1040419325 /nfs/dbraw/zinc/41/93/25/1040419325.db2.gz LEZGZPKIQZIQPN-CQSZACIVSA-N -1 3 316.426 3.650 20 0 DHADHM O=C1[N-]C(=O)/C(=C/c2c(Cl)oc3ccccc23)c2ccccc21 ZINC000761197157 1040562240 /nfs/dbraw/zinc/56/22/40/1040562240.db2.gz AVOJDENKHFRQAF-NTEUORMPSA-N -1 3 323.735 3.897 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000456103919 1040707812 /nfs/dbraw/zinc/70/78/12/1040707812.db2.gz BIRXENPVSRPUGE-CMPLNLGQSA-N -1 3 315.335 3.758 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000597324423 1040734463 /nfs/dbraw/zinc/73/44/63/1040734463.db2.gz NSAPGXJSIVAWDJ-LLVKDONJSA-N -1 3 313.488 3.718 20 0 DHADHM CC(C)[C@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CC12CCCC2 ZINC000457171237 1041031504 /nfs/dbraw/zinc/03/15/04/1041031504.db2.gz PHIXBRKRDAWWPC-GOSISDBHSA-N -1 3 324.424 3.569 20 0 DHADHM CCOc1c(Cl)cccc1CN[C@H](C)CCCCC(=O)[O-] ZINC000417545364 334961433 /nfs/dbraw/zinc/96/14/33/334961433.db2.gz JKFDJYPSPSKBCB-GFCCVEGCSA-N -1 3 313.825 3.862 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1cc(C(F)(F)F)ccc1F ZINC000089393362 192778777 /nfs/dbraw/zinc/77/87/77/192778777.db2.gz UKPQYLQYGYQJQX-UHFFFAOYSA-N -1 3 316.254 3.956 20 0 DHADHM C[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187046076 200052724 /nfs/dbraw/zinc/05/27/24/200052724.db2.gz PZMFZKTWXPMRRB-AWEZNQCLSA-N -1 3 323.392 3.638 20 0 DHADHM COc1cccc(Cl)c1CN[C@@H](CC(=O)[O-])CC(C)(C)C ZINC000417589103 334999503 /nfs/dbraw/zinc/99/95/03/334999503.db2.gz PSNLAJRUDNNZHA-NSHDSACASA-N -1 3 313.825 3.718 20 0 DHADHM C[C@@H](NCc1ccc(-c2ccccc2)cc1F)[C@@H](C)C(=O)[O-] ZINC000417600635 335002907 /nfs/dbraw/zinc/00/29/07/335002907.db2.gz DMCJQMSRADVOCT-CHWSQXEVSA-N -1 3 301.361 3.692 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(-c2ccccc2)cc1F ZINC000417600636 335002918 /nfs/dbraw/zinc/00/29/18/335002918.db2.gz DMCJQMSRADVOCT-OLZOCXBDSA-N -1 3 301.361 3.692 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cnc(C(F)(F)F)s1 ZINC000417595207 335001671 /nfs/dbraw/zinc/00/16/71/335001671.db2.gz XQUOZUIKLCVQMW-MRVPVSSYSA-N -1 3 324.368 3.531 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000417624650 335015388 /nfs/dbraw/zinc/01/53/88/335015388.db2.gz KYTYYWHFSBWLLH-CQSZACIVSA-N -1 3 313.850 3.582 20 0 DHADHM CCCCc1oc2ccccc2c1CNCCSCC(=O)[O-] ZINC000417624134 335017959 /nfs/dbraw/zinc/01/79/59/335017959.db2.gz QAMQMPBYWHFKII-UHFFFAOYSA-N -1 3 321.442 3.683 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000417629474 335018686 /nfs/dbraw/zinc/01/86/86/335018686.db2.gz QHQJJGGCBNUKFU-UONOGXRCSA-N -1 3 307.802 3.804 20 0 DHADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c([O-])c1 ZINC000015923035 182024594 /nfs/dbraw/zinc/02/45/94/182024594.db2.gz UFXJQCWUOBPNGG-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1[O-] ZINC000019441473 182123164 /nfs/dbraw/zinc/12/31/64/182123164.db2.gz FHBQTHYTRQEKRH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cc(NC(=O)c2cccc([O-])c2)ccc1Br ZINC000019436863 182123195 /nfs/dbraw/zinc/12/31/95/182123195.db2.gz RKXLAQPPRWJPOM-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000417636802 335021370 /nfs/dbraw/zinc/02/13/70/335021370.db2.gz YJJGRYAYEBVXJY-PMACEKPBSA-N -1 3 321.420 3.968 20 0 DHADHM COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000021807339 182291489 /nfs/dbraw/zinc/29/14/89/182291489.db2.gz IKJQFWAOKJNUII-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCCc1ncc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)s1 ZINC000272149019 130003377 /nfs/dbraw/zinc/00/33/77/130003377.db2.gz NOAKALWOPBSESF-UHFFFAOYSA-N -1 3 324.352 3.829 20 0 DHADHM COc1cccc(C2=CCN(C(=O)c3ccc(C)c(C)c3[O-])C2)c1 ZINC000272399688 130027960 /nfs/dbraw/zinc/02/79/60/130027960.db2.gz MPOLSTDANLCJMU-UHFFFAOYSA-N -1 3 323.392 3.557 20 0 DHADHM C[C@H](CC(C)(C)NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000417699687 335064220 /nfs/dbraw/zinc/06/42/20/335064220.db2.gz HRZDRAADBPUXEP-SECBINFHSA-N -1 3 304.217 3.972 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000273531801 130134263 /nfs/dbraw/zinc/13/42/63/130134263.db2.gz ZDJHGUGYJKMCJL-UHFFFAOYSA-N -1 3 320.418 3.868 20 0 DHADHM [O-]c1ccccc1-c1nc(CCCOCCc2ccccc2)no1 ZINC000273790738 130167673 /nfs/dbraw/zinc/16/76/73/130167673.db2.gz GPCBZXDTTSYMMV-UHFFFAOYSA-N -1 3 324.380 3.634 20 0 DHADHM COc1ccc2c(c1)CCC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000274391297 130230844 /nfs/dbraw/zinc/23/08/44/130230844.db2.gz CKPSKVCFSKFBIZ-GOSISDBHSA-N -1 3 301.361 3.707 20 0 DHADHM Cc1cc(NCc2cc([O-])cc(F)c2)ccc1C(=O)NC(C)C ZINC000274511096 130242649 /nfs/dbraw/zinc/24/26/49/130242649.db2.gz VFFVSTDIAQSAIF-UHFFFAOYSA-N -1 3 316.376 3.590 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c1[O-] ZINC000276018026 130426515 /nfs/dbraw/zinc/42/65/15/130426515.db2.gz UTFJDHLPBPGVRT-CMPLNLGQSA-N -1 3 323.820 3.934 20 0 DHADHM CCOC(=O)c1ccc(NC(=O)c2ccoc2C(C)C)c([O-])c1 ZINC000280673184 130812536 /nfs/dbraw/zinc/81/25/36/130812536.db2.gz GJNULVLSAUQRRZ-UHFFFAOYSA-N -1 3 317.341 3.538 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000286944844 131257341 /nfs/dbraw/zinc/25/73/41/131257341.db2.gz IZUVQQSPBYRYSP-UHFFFAOYSA-N -1 3 312.435 3.667 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000287095484 131263912 /nfs/dbraw/zinc/26/39/12/131263912.db2.gz XLZVADQAKQSLLJ-FZMZJTMJSA-N -1 3 303.431 3.696 20 0 DHADHM COc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000289140132 131361672 /nfs/dbraw/zinc/36/16/72/131361672.db2.gz YJEQJBVTOWAHTN-HNNXBMFYSA-N -1 3 317.410 3.686 20 0 DHADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)cc1C(F)(F)F ZINC000289506758 131391503 /nfs/dbraw/zinc/39/15/03/131391503.db2.gz MQLXYNLODYGHNI-GORDUTHDSA-N -1 3 308.687 3.819 20 0 DHADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1C(F)(F)F ZINC000289506758 131391505 /nfs/dbraw/zinc/39/15/05/131391505.db2.gz MQLXYNLODYGHNI-GORDUTHDSA-N -1 3 308.687 3.819 20 0 DHADHM CC(C)ON=C([O-])Nc1ccc(Br)c(Cl)c1 ZINC000297265324 132006089 /nfs/dbraw/zinc/00/60/89/132006089.db2.gz ZJGLSKAWHIPSEU-UHFFFAOYSA-N -1 3 307.575 3.564 20 0 DHADHM CC(C)O[N-]C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000297265324 132006090 /nfs/dbraw/zinc/00/60/90/132006090.db2.gz ZJGLSKAWHIPSEU-UHFFFAOYSA-N -1 3 307.575 3.564 20 0 DHADHM CCOc1cc(CNc2ccccc2CO)cc(Cl)c1[O-] ZINC000297571409 132023470 /nfs/dbraw/zinc/02/34/70/132023470.db2.gz CVMKWZXBIDGGRR-UHFFFAOYSA-N -1 3 307.777 3.549 20 0 DHADHM O=c1nc(CNC2(c3ccccc3)CCC2)[n-]c2ccsc21 ZINC000298396770 132060933 /nfs/dbraw/zinc/06/09/33/132060933.db2.gz HDHVIEAGOIOGNK-UHFFFAOYSA-N -1 3 311.410 3.566 20 0 DHADHM CCN(CCc1cccs1)Cc1nc(=O)c2sccc2[n-]1 ZINC000299367845 132101270 /nfs/dbraw/zinc/10/12/70/132101270.db2.gz DXOWGGWVGTYUGI-UHFFFAOYSA-N -1 3 319.455 3.523 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000299472654 132107116 /nfs/dbraw/zinc/10/71/16/132107116.db2.gz CKYHOIAPQGBHAF-UHFFFAOYSA-N -1 3 314.345 3.512 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1cc(Cl)ccc1Cl ZINC000417711777 335067467 /nfs/dbraw/zinc/06/74/67/335067467.db2.gz WFKJXXQZSTXKPP-CYBMUJFWSA-N -1 3 302.201 3.726 20 0 DHADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1CCC1CCCC1 ZINC000525870204 335071388 /nfs/dbraw/zinc/07/13/88/335071388.db2.gz FYIWQJXSLNAFRM-AWEZNQCLSA-N -1 3 312.417 3.533 20 0 DHADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1CCC1CCCC1 ZINC000525870204 335071389 /nfs/dbraw/zinc/07/13/89/335071389.db2.gz FYIWQJXSLNAFRM-AWEZNQCLSA-N -1 3 312.417 3.533 20 0 DHADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1CCC1CCCC1 ZINC000525870204 335071390 /nfs/dbraw/zinc/07/13/90/335071390.db2.gz FYIWQJXSLNAFRM-AWEZNQCLSA-N -1 3 312.417 3.533 20 0 DHADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442947370 338439993 /nfs/dbraw/zinc/43/99/93/338439993.db2.gz TZNFAQLFMRKIDS-NXEZZACHSA-N -1 3 303.280 3.521 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(C(F)F)o1 ZINC000626432848 429949605 /nfs/dbraw/zinc/94/96/05/429949605.db2.gz JKCMRTHTTCDIOY-UHFFFAOYSA-N -1 3 310.304 3.566 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3sccc3s2)n1 ZINC000544107822 430272478 /nfs/dbraw/zinc/27/24/78/430272478.db2.gz VPSLQCDGBFGNAF-UHFFFAOYSA-N -1 3 306.416 3.562 20 0 DHADHM COc1cccc(C2=CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000363338111 331540827 /nfs/dbraw/zinc/54/08/27/331540827.db2.gz ZSNZHTFUYBJQTE-UHFFFAOYSA-N -1 3 323.392 3.639 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CC(C)(C)C)c2)n1 ZINC000363344468 331554508 /nfs/dbraw/zinc/55/45/08/331554508.db2.gz IFJNCXVLKFGGSD-CMDGGOBGSA-N -1 3 311.385 3.698 20 0 DHADHM COc1cc(F)c(F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000356921431 331585777 /nfs/dbraw/zinc/58/57/77/331585777.db2.gz PSPBNVBNOLAXJP-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2cccc(F)c2F)c1F ZINC000536279535 331693767 /nfs/dbraw/zinc/69/37/67/331693767.db2.gz FIACYXDOFVBELY-UHFFFAOYSA-N -1 3 313.250 3.894 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000556894314 331749705 /nfs/dbraw/zinc/74/97/05/331749705.db2.gz VRAJMPLOQZFFIJ-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)o1 ZINC000255642748 331783366 /nfs/dbraw/zinc/78/33/66/331783366.db2.gz UJAHYMQTNRGAHW-QZGOCDAISA-N -1 3 301.317 3.900 20 0 DHADHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000123676580 331876261 /nfs/dbraw/zinc/87/62/61/331876261.db2.gz WTKUMCCGTBVGLD-UHFFFAOYSA-N -1 3 323.389 3.759 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c([O-])c(C(C)C)c1 ZINC000410232626 332103693 /nfs/dbraw/zinc/10/36/93/332103693.db2.gz UHMZLUQSSSMOJR-KBPBESRZSA-N -1 3 319.445 3.794 20 0 DHADHM Cc1ccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)o1 ZINC000584257685 332118173 /nfs/dbraw/zinc/11/81/73/332118173.db2.gz FEYGRQKUJSNYRV-UHFFFAOYSA-N -1 3 302.305 3.658 20 0 DHADHM CCCCN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCC[C@@H](C)C1 ZINC000569522418 332123416 /nfs/dbraw/zinc/12/34/16/332123416.db2.gz MNFUEFXZAVZUCK-ZIAGYGMSSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCC[C@@H](C)C1 ZINC000569522418 332123418 /nfs/dbraw/zinc/12/34/18/332123418.db2.gz MNFUEFXZAVZUCK-ZIAGYGMSSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCC[C@@H](C)C1 ZINC000569522418 332123420 /nfs/dbraw/zinc/12/34/20/332123420.db2.gz MNFUEFXZAVZUCK-ZIAGYGMSSA-N -1 3 314.433 3.779 20 0 DHADHM CC(C)[C@@H](C)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000569583826 332147080 /nfs/dbraw/zinc/14/70/80/332147080.db2.gz ZHUTVQLRSFIODS-GFCCVEGCSA-N -1 3 318.442 3.985 20 0 DHADHM O=C([O-])[C@H](NCc1csc2ccccc12)c1ccc(O)cc1 ZINC000426783793 332152925 /nfs/dbraw/zinc/15/29/25/332152925.db2.gz NVTSGJUQUBQCQC-MRXNPFEDSA-N -1 3 313.378 3.522 20 0 DHADHM Cc1nc(C)c(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426805053 332155344 /nfs/dbraw/zinc/15/53/44/332155344.db2.gz YKTWBXNOCPMWHY-CYBMUJFWSA-N -1 3 324.833 3.719 20 0 DHADHM CCc1ccc([C@@H](NCc2ccc(SC)cc2)C(=O)[O-])cc1 ZINC000426802935 332155424 /nfs/dbraw/zinc/15/54/24/332155424.db2.gz YXFNCDCWZDBWIW-QGZVFWFLSA-N -1 3 315.438 3.886 20 0 DHADHM CC(C)(C)C[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000426827145 332155808 /nfs/dbraw/zinc/15/58/08/332155808.db2.gz HQNADDGBALOJSB-NSHDSACASA-N -1 3 324.471 3.851 20 0 DHADHM CCCSC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426821814 332157889 /nfs/dbraw/zinc/15/78/89/332157889.db2.gz WXPWLZWLCOAYNI-GFCCVEGCSA-N -1 3 322.257 3.679 20 0 DHADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000559582203 332272756 /nfs/dbraw/zinc/27/27/56/332272756.db2.gz WUHMWQPATOBINL-INIZCTEOSA-N -1 3 301.773 3.771 20 0 DHADHM CC(C)[C@H](CNCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000559980119 332299025 /nfs/dbraw/zinc/29/90/25/332299025.db2.gz BVFNMZSVGJZEIE-KRWDZBQOSA-N -1 3 315.388 3.939 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000560086702 332310096 /nfs/dbraw/zinc/31/00/96/332310096.db2.gz UKMPKDYUJXFLOB-STQMWFEESA-N -1 3 323.396 3.968 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](O)C3)n2)c2ccccc12 ZINC000560087657 332310305 /nfs/dbraw/zinc/31/03/05/332310305.db2.gz YLCIIPUXLISQDP-VXGBXAGGSA-N -1 3 310.353 3.614 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000560371246 332335376 /nfs/dbraw/zinc/33/53/76/332335376.db2.gz ZYURRAIJBUDNHP-AWEZNQCLSA-N -1 3 315.800 3.984 20 0 DHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2ccccc2)no1 ZINC000583351559 332346798 /nfs/dbraw/zinc/34/67/98/332346798.db2.gz FKSOGUMGIOTBGI-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1[O-] ZINC000560550907 332358011 /nfs/dbraw/zinc/35/80/11/332358011.db2.gz QAGLTYNLZFAQSQ-UHFFFAOYSA-N -1 3 320.348 3.842 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1[O-] ZINC000560551627 332358112 /nfs/dbraw/zinc/35/81/12/332358112.db2.gz ANZGTZBVKAJMKR-UHFFFAOYSA-N -1 3 322.364 3.945 20 0 DHADHM CC(=O)c1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000560670019 332375327 /nfs/dbraw/zinc/37/53/27/332375327.db2.gz HGSGZJGCXCUZTM-UHFFFAOYSA-N -1 3 319.360 3.678 20 0 DHADHM CCN(CCc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000566359106 332376747 /nfs/dbraw/zinc/37/67/47/332376747.db2.gz QSWMKWWCJYJPID-UHFFFAOYSA-N -1 3 301.361 3.589 20 0 DHADHM CN(CCCOc1ccc(Cl)cc1)Cc1occc1C(=O)[O-] ZINC000583386560 332379588 /nfs/dbraw/zinc/37/95/88/332379588.db2.gz BRBFONRWQPIWAY-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)cc(Cl)c1OC ZINC000583394310 332384192 /nfs/dbraw/zinc/38/41/92/332384192.db2.gz UTNJWFXFLAZEFO-AATRIKPKSA-N -1 3 320.776 3.722 20 0 DHADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nn1C(C)(C)C ZINC000560820377 332388637 /nfs/dbraw/zinc/38/86/37/332388637.db2.gz ALVJOTFYBLLFIW-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2cccc(C3CC3)c2)c1[O-] ZINC000572605610 332708896 /nfs/dbraw/zinc/70/88/96/332708896.db2.gz QSOPIUQYJWYOQA-UHFFFAOYSA-N -1 3 309.365 3.653 20 0 DHADHM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1csc(=O)[n-]1 ZINC000562970836 332992969 /nfs/dbraw/zinc/99/29/69/332992969.db2.gz SCWVYUXINLLSDM-PWSUYJOCSA-N -1 3 322.817 3.568 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000580196681 332998568 /nfs/dbraw/zinc/99/85/68/332998568.db2.gz YHBDAGQMZWRPCO-SCZZXKLOSA-N -1 3 320.191 3.866 20 0 DHADHM CC(=O)c1cccc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000580213579 333013081 /nfs/dbraw/zinc/01/30/81/333013081.db2.gz AZPLADAFGCKKTJ-RBUKOAKNSA-N -1 3 323.392 3.680 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3[O-])n[nH]2)cc1 ZINC000179564778 333025448 /nfs/dbraw/zinc/02/54/48/333025448.db2.gz OVAZVCZKTYZQGX-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM CCC(CC)n1nc(C(=O)Nc2c(C)cccc2[O-])cc1C ZINC000183077752 333052342 /nfs/dbraw/zinc/05/23/42/333052342.db2.gz VWGYIIAYSZYZIZ-UHFFFAOYSA-N -1 3 301.390 3.819 20 0 DHADHM CCOc1cc(F)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182123368 333149704 /nfs/dbraw/zinc/14/97/04/333149704.db2.gz YBGISDGAMOAEJO-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2c(C)cccc2[O-])c1 ZINC000179544811 333152397 /nfs/dbraw/zinc/15/23/97/333152397.db2.gz IQDBFRCYCNHBLQ-UHFFFAOYSA-N -1 3 311.381 3.919 20 0 DHADHM Cc1cc(Br)c(F)cc1NC(=O)c1cccc([O-])c1 ZINC000184156766 333192600 /nfs/dbraw/zinc/19/26/00/333192600.db2.gz NLMZZFDCZOPYMF-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000185621604 333210569 /nfs/dbraw/zinc/21/05/69/333210569.db2.gz IJEPFSLAXVHRKR-MRXNPFEDSA-N -1 3 305.324 3.674 20 0 DHADHM C[C@H](F)CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000582110093 333253483 /nfs/dbraw/zinc/25/34/83/333253483.db2.gz ALFYZVSKYNIOQA-QMMMGPOBSA-N -1 3 321.826 3.581 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000499687629 333297587 /nfs/dbraw/zinc/29/75/87/333297587.db2.gz XXQWAKZYQPKVFK-HNNXBMFYSA-N -1 3 313.422 3.922 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(F)c2)CC)n1 ZINC000193619783 333304749 /nfs/dbraw/zinc/30/47/49/333304749.db2.gz PCICZCWLCWIRLJ-LCYFTJDESA-N -1 3 316.376 3.821 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497960372 333314758 /nfs/dbraw/zinc/31/47/58/333314758.db2.gz SSHNOHFIFPJYFT-UHFFFAOYSA-N -1 3 317.410 3.585 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000020432800 333322539 /nfs/dbraw/zinc/32/25/39/333322539.db2.gz OLSLQUUXNBKHDR-UHFFFAOYSA-N -1 3 302.717 3.675 20 0 DHADHM Cc1ccccc1OCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000531373644 333347089 /nfs/dbraw/zinc/34/70/89/333347089.db2.gz XWCFDZSGBJSOMO-UHFFFAOYSA-N -1 3 303.333 3.637 20 0 DHADHM COc1ccc([O-])c(-c2nc(CCCc3ccccc3)no2)c1 ZINC000184852586 333367936 /nfs/dbraw/zinc/36/79/36/333367936.db2.gz DWXNLBILESCIBI-UHFFFAOYSA-N -1 3 310.353 3.626 20 0 DHADHM O=C(Nc1cc(F)c(F)cc1F)c1cn[n-]c1-c1ccsc1 ZINC000186649285 333375933 /nfs/dbraw/zinc/37/59/33/333375933.db2.gz PHKPNRQFOQMYOJ-UHFFFAOYSA-N -1 3 323.299 3.808 20 0 DHADHM O=C(Nc1cc(F)c(F)cc1F)c1c[n-]nc1-c1ccsc1 ZINC000186649285 333375934 /nfs/dbraw/zinc/37/59/34/333375934.db2.gz PHKPNRQFOQMYOJ-UHFFFAOYSA-N -1 3 323.299 3.808 20 0 DHADHM O=C(Nc1ccc(F)cc1F)c1cn[n-]c1-c1ccsc1 ZINC000186988536 333383331 /nfs/dbraw/zinc/38/33/31/333383331.db2.gz IJCCYUAWYRIUQI-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM O=C(Nc1ccc(F)cc1F)c1c[n-]nc1-c1ccsc1 ZINC000186988536 333383332 /nfs/dbraw/zinc/38/33/32/333383332.db2.gz IJCCYUAWYRIUQI-UHFFFAOYSA-N -1 3 305.309 3.669 20 0 DHADHM CC[C@H](CN(CC)C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000187408365 333449829 /nfs/dbraw/zinc/44/98/29/333449829.db2.gz BFKULXRKUXMAJP-CQSZACIVSA-N -1 3 313.397 3.754 20 0 DHADHM C[C@H](COc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533973356 333552643 /nfs/dbraw/zinc/55/26/43/333552643.db2.gz DVBGKSPNSGFRRJ-LLVKDONJSA-N -1 3 305.761 3.699 20 0 DHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc([O-])c1F ZINC000534210091 333568696 /nfs/dbraw/zinc/56/86/96/333568696.db2.gz JNNPHMPBMXQSGY-IOASZLSFSA-N -1 3 323.408 3.947 20 0 DHADHM CCc1nc(C)c([N-]C(=O)c2scnc2C(F)(F)F)s1 ZINC000410729391 333570753 /nfs/dbraw/zinc/57/07/53/333570753.db2.gz ICSGAAVDWDWRPR-UHFFFAOYSA-N -1 3 321.349 3.742 20 0 DHADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2sccc2C(C)=O)s1 ZINC000410896609 333607165 /nfs/dbraw/zinc/60/71/65/333607165.db2.gz KWVNDPJCRXEXBU-SECBINFHSA-N -1 3 324.427 3.757 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000410897622 333607468 /nfs/dbraw/zinc/60/74/68/333607468.db2.gz SBCDGRAQDAVZFX-UHFFFAOYSA-N -1 3 322.386 3.506 20 0 DHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000434632720 333699391 /nfs/dbraw/zinc/69/93/91/333699391.db2.gz AAKCQSXHNJLRQP-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC1(C)C[C@H](C(=O)Nc2ccc([O-])cc2F)c2ccccc2O1 ZINC000412241210 333741942 /nfs/dbraw/zinc/74/19/42/333741942.db2.gz BEQZQUDJBZUBPV-ZDUSSCGKSA-N -1 3 315.344 3.815 20 0 DHADHM CCc1ccc(C(=O)N2CC(c3cccc(Cl)c3)C2)c([O-])c1 ZINC000412385747 333754834 /nfs/dbraw/zinc/75/48/34/333754834.db2.gz GEVACSYBGUXRFM-UHFFFAOYSA-N -1 3 315.800 3.848 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@]2(C)CC(C)C)cc1[O-] ZINC000412386643 333754861 /nfs/dbraw/zinc/75/48/61/333754861.db2.gz UJJLSCMKPUNHOY-SFHVURJKSA-N -1 3 303.402 3.636 20 0 DHADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c([O-])c1 ZINC000436843856 334006159 /nfs/dbraw/zinc/00/61/59/334006159.db2.gz KKLYJOOCVFVKHF-OAHLLOKOSA-N -1 3 301.411 3.985 20 0 DHADHM CC(C)[C@@H]1N(Cc2cccc([O-])c2Cl)CC12CCOCC2 ZINC000414532797 334009596 /nfs/dbraw/zinc/00/95/96/334009596.db2.gz DMRNDYOQXKFUIZ-INIZCTEOSA-N -1 3 309.837 3.683 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1ccc(F)cc1C(F)(F)F ZINC000271877849 334027917 /nfs/dbraw/zinc/02/79/17/334027917.db2.gz YENSAGWLJMXUTP-UHFFFAOYSA-N -1 3 306.259 3.840 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1ccc(F)cc1C(F)(F)F ZINC000271877849 334027918 /nfs/dbraw/zinc/02/79/18/334027918.db2.gz YENSAGWLJMXUTP-UHFFFAOYSA-N -1 3 306.259 3.840 20 0 DHADHM COc1ccc(-c2ccccc2C)cc1CN[C@H](C)CC(=O)[O-] ZINC000414635094 334049295 /nfs/dbraw/zinc/04/92/95/334049295.db2.gz FUKAMVNEKBXMMO-CQSZACIVSA-N -1 3 313.397 3.623 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000414687285 334068705 /nfs/dbraw/zinc/06/87/05/334068705.db2.gz WZOUBZNILVHRLU-UHFFFAOYSA-N -1 3 305.349 3.820 20 0 DHADHM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccccc2)cc1F ZINC000414687815 334069444 /nfs/dbraw/zinc/06/94/44/334069444.db2.gz XQVMPUUCSOXPIP-GOSISDBHSA-N -1 3 313.372 3.932 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000291793361 334181975 /nfs/dbraw/zinc/18/19/75/334181975.db2.gz PAZKYXJOGVWXHR-LBPRGKRZSA-N -1 3 309.385 3.525 20 0 DHADHM Fc1cccc2c1SCC[C@@H]2[N-]c1nnc(C(F)F)o1 ZINC000292576782 334189419 /nfs/dbraw/zinc/18/94/19/334189419.db2.gz UBCDQDAEOQBWSI-QMMMGPOBSA-N -1 3 301.293 3.795 20 0 DHADHM CCc1cccc(C(=O)N2CCOC3(C2)CCCCCC3)c1[O-] ZINC000531928889 334295333 /nfs/dbraw/zinc/29/53/33/334295333.db2.gz BELRBENHVBQUEK-UHFFFAOYSA-N -1 3 317.429 3.520 20 0 DHADHM CO[C@](C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000534709997 334331637 /nfs/dbraw/zinc/33/16/37/334331637.db2.gz ORENKUSQZDDUCL-INIZCTEOSA-N -1 3 305.761 3.546 20 0 DHADHM O=C(NC1CCC2(CC2)CC1)c1cc([O-])cc(Br)c1 ZINC000529172833 334356663 /nfs/dbraw/zinc/35/66/63/334356663.db2.gz RXBCVXHYXSJJJS-UHFFFAOYSA-N -1 3 324.218 3.607 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)ccc1[O-] ZINC000443137146 338445298 /nfs/dbraw/zinc/44/52/98/338445298.db2.gz YGXRSERGZSZHNO-AWEZNQCLSA-N -1 3 317.429 3.833 20 0 DHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)F)cc1 ZINC000340782098 334385323 /nfs/dbraw/zinc/38/53/23/334385323.db2.gz MYEDLWKYWKZBJQ-UHFFFAOYSA-N -1 3 301.289 3.564 20 0 DHADHM CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000341169028 334415250 /nfs/dbraw/zinc/41/52/50/334415250.db2.gz HJDAPLASAJHWJU-WDEREUQCSA-N -1 3 303.362 3.535 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-c2cccs2)o1 ZINC000341573155 334454000 /nfs/dbraw/zinc/45/40/00/334454000.db2.gz AKMPFVRMXMJUGC-UHFFFAOYSA-N -1 3 317.341 3.783 20 0 DHADHM C[C@@H](NCc1cc(=O)c([O-])co1)c1cccc(Cl)c1Cl ZINC000341838945 334486228 /nfs/dbraw/zinc/48/62/28/334486228.db2.gz IWASRSAKKNRLKH-MRVPVSSYSA-N -1 3 314.168 3.503 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nn1C(F)F ZINC000342231324 334523237 /nfs/dbraw/zinc/52/32/37/334523237.db2.gz KHYYYIDSGGTGAC-UHFFFAOYSA-N -1 3 315.707 3.506 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000416273303 334659149 /nfs/dbraw/zinc/65/91/49/334659149.db2.gz FSZBESKRQSVYSX-STQMWFEESA-N -1 3 315.335 3.966 20 0 DHADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1[O-] ZINC000416285617 334660024 /nfs/dbraw/zinc/66/00/24/334660024.db2.gz HLUCDPAWNQDRJR-UONOGXRCSA-N -1 3 305.418 3.688 20 0 DHADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000188216184 334666568 /nfs/dbraw/zinc/66/65/68/334666568.db2.gz REQSOZSQQZWIJN-QGZVFWFLSA-N -1 3 312.413 3.661 20 0 DHADHM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000330400175 334777948 /nfs/dbraw/zinc/77/79/48/334777948.db2.gz NDSIVJYBBLZHTK-CYBMUJFWSA-N -1 3 315.417 3.703 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c([O-])c1 ZINC000331303442 334855929 /nfs/dbraw/zinc/85/59/29/334855929.db2.gz XTRFYXPKDHQBEP-MNOVXSKESA-N -1 3 317.307 3.708 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000189792769 334910981 /nfs/dbraw/zinc/91/09/81/334910981.db2.gz YXJTYVXKCDBVBY-UHFFFAOYSA-N -1 3 312.369 3.555 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2nc(C3CC3)oc2C)c1F ZINC000343689723 335188577 /nfs/dbraw/zinc/18/85/77/335188577.db2.gz SCURSVNKISTJEO-UHFFFAOYSA-N -1 3 322.311 3.790 20 0 DHADHM COc1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)ccc1[O-] ZINC000343816278 335195177 /nfs/dbraw/zinc/19/51/77/335195177.db2.gz LKNDNXLCXPMBQL-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1sccc1F ZINC000343898593 335204362 /nfs/dbraw/zinc/20/43/62/335204362.db2.gz RCDPMQBWQAQTEL-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM CCSc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000343974804 335204640 /nfs/dbraw/zinc/20/46/40/335204640.db2.gz JVVGGUPSISNKGU-UHFFFAOYSA-N -1 3 305.837 3.617 20 0 DHADHM O=C([O-])CCCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000344079210 335215961 /nfs/dbraw/zinc/21/59/61/335215961.db2.gz ZLDMVHUZJGNHNE-SECBINFHSA-N -1 3 318.236 3.512 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc3ccccc3c2)n1 ZINC000344365904 335244826 /nfs/dbraw/zinc/24/48/26/335244826.db2.gz MZHDJLUVDWCTQG-UHFFFAOYSA-N -1 3 307.397 3.530 20 0 DHADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1cccc([O-])c1 ZINC000344603668 335263275 /nfs/dbraw/zinc/26/32/75/335263275.db2.gz LCRNQJFPIVTTMI-LBPRGKRZSA-N -1 3 307.802 3.915 20 0 DHADHM Cc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)s1 ZINC000032531379 335291907 /nfs/dbraw/zinc/29/19/07/335291907.db2.gz RMVGSGCNJTWOOH-UHFFFAOYSA-N -1 3 319.386 3.966 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000345133805 335304370 /nfs/dbraw/zinc/30/43/70/335304370.db2.gz MFLHUOVZXRUYIJ-JTQLQIEISA-N -1 3 315.394 3.810 20 0 DHADHM CC(C)(C)n1cnc([N-]C(=O)c2cc3cc(F)ccc3s2)n1 ZINC000345733011 335346724 /nfs/dbraw/zinc/34/67/24/335346724.db2.gz CPCJPKGYWBKZNY-UHFFFAOYSA-N -1 3 318.377 3.639 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)n[n-]2)o1 ZINC000345768448 335350140 /nfs/dbraw/zinc/35/01/40/335350140.db2.gz DTOKLOUJNVAESX-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[n-]n2)o1 ZINC000345768448 335350141 /nfs/dbraw/zinc/35/01/41/335350141.db2.gz DTOKLOUJNVAESX-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1scnc1C1CC1 ZINC000345793105 335351561 /nfs/dbraw/zinc/35/15/61/335351561.db2.gz RLLUCQUCVKHLDD-UHFFFAOYSA-N -1 3 320.389 3.827 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(C2CC2)CCC1 ZINC000345903975 335360015 /nfs/dbraw/zinc/36/00/15/335360015.db2.gz BNOZIUCQGMYKHO-UHFFFAOYSA-N -1 3 305.393 3.551 20 0 DHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nccs1 ZINC000345934267 335361916 /nfs/dbraw/zinc/36/19/16/335361916.db2.gz NBQAPMUGAGEBJB-ZDUSSCGKSA-N -1 3 322.405 3.578 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CSCc2ccccc2)n1 ZINC000345945290 335363049 /nfs/dbraw/zinc/36/30/49/335363049.db2.gz SYKNZSVYMUGUFU-GFCCVEGCSA-N -1 3 316.426 3.604 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)ccc2[n-]1 ZINC000346162268 335383414 /nfs/dbraw/zinc/38/34/14/335383414.db2.gz YUJPZKKWYNVKEK-LRDDRELGSA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2[n-]1 ZINC000346162268 335383416 /nfs/dbraw/zinc/38/34/16/335383416.db2.gz YUJPZKKWYNVKEK-LRDDRELGSA-N -1 3 315.417 3.612 20 0 DHADHM COc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)c2ccccc12 ZINC000346785635 335440658 /nfs/dbraw/zinc/44/06/58/335440658.db2.gz CQMCPNVCNZCHHL-GFCCVEGCSA-N -1 3 323.396 3.503 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C(F)(F)F)ccc1F ZINC000348356708 335580074 /nfs/dbraw/zinc/58/00/74/335580074.db2.gz YIEBOJOCYDNOIY-UHFFFAOYSA-N -1 3 302.227 3.702 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1csc(=O)[n-]1 ZINC000349853291 335704141 /nfs/dbraw/zinc/70/41/41/335704141.db2.gz RPNROLAFFXNJNY-CYBMUJFWSA-N -1 3 304.415 3.674 20 0 DHADHM Clc1cc2cc(-c3nc(-c4cccnc4)no3)[n-]c2s1 ZINC000350400714 335749685 /nfs/dbraw/zinc/74/96/85/335749685.db2.gz RKTQFOFAXJLJKO-UHFFFAOYSA-N -1 3 302.746 3.995 20 0 DHADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1[O-] ZINC000519094564 335798801 /nfs/dbraw/zinc/79/88/01/335798801.db2.gz CQFNTQASLKYOJE-KRWDZBQOSA-N -1 3 311.381 3.915 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(SC)cc2)c1 ZINC000536689496 335862128 /nfs/dbraw/zinc/86/21/28/335862128.db2.gz WFWHNYRBSHKJCZ-UHFFFAOYSA-N -1 3 301.411 3.953 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000520664511 336003789 /nfs/dbraw/zinc/00/37/89/336003789.db2.gz GOBZZGNYBWZZLN-GFCCVEGCSA-N -1 3 307.818 3.582 20 0 DHADHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC000351027402 336005905 /nfs/dbraw/zinc/00/59/05/336005905.db2.gz MAJBFYGHRICPCY-UHFFFAOYSA-N -1 3 324.302 3.722 20 0 DHADHM O=C(N[C@@H]1CC2CCC1CC2)c1cc([O-])ccc1C(F)(F)F ZINC000351695517 336059071 /nfs/dbraw/zinc/05/90/71/336059071.db2.gz UKPJCBQBOMOVJA-RPFQZYLTSA-N -1 3 313.319 3.720 20 0 DHADHM CC(C)C(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000351825583 336070812 /nfs/dbraw/zinc/07/08/12/336070812.db2.gz ZHKWLKHPIOQHIL-UHFFFAOYSA-N -1 3 320.339 3.877 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 ZINC000324182034 336103310 /nfs/dbraw/zinc/10/33/10/336103310.db2.gz XMMIMLBMLIWSJA-UHFFFAOYSA-N -1 3 308.337 3.607 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1[O-] ZINC000331837995 336150107 /nfs/dbraw/zinc/15/01/07/336150107.db2.gz CAVLPOMHMICVEW-QGZVFWFLSA-N -1 3 315.413 3.780 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1[O-] ZINC000331837992 336150118 /nfs/dbraw/zinc/15/01/18/336150118.db2.gz CAVLPOMHMICVEW-KRWDZBQOSA-N -1 3 315.413 3.780 20 0 DHADHM COc1ccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)cc1 ZINC000352011575 336188654 /nfs/dbraw/zinc/18/86/54/336188654.db2.gz SOQHPOJCWWZAOL-UHFFFAOYSA-N -1 3 301.361 3.705 20 0 DHADHM O=c1cc(C=Cc2cnc3ccc(Cl)cn23)nc(C2CC2)[n-]1 ZINC000352020525 336189696 /nfs/dbraw/zinc/18/96/96/336189696.db2.gz JEYLVKIGSTURRF-PLNGDYQASA-N -1 3 312.760 3.531 20 0 DHADHM COc1cc(C)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352025639 336190026 /nfs/dbraw/zinc/19/00/26/336190026.db2.gz FMQPLYJHENKKBB-VOTSOKGWSA-N -1 3 312.369 3.556 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC2(CCC2)C1 ZINC000352169993 336198879 /nfs/dbraw/zinc/19/88/79/336198879.db2.gz JRUSGOAOZPYVQL-UHFFFAOYSA-N -1 3 305.393 3.647 20 0 DHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1c(F)cccc1F ZINC000352176592 336199156 /nfs/dbraw/zinc/19/91/56/336199156.db2.gz RCURGWCMYWCJRB-QMMMGPOBSA-N -1 3 311.715 3.815 20 0 DHADHM C[C@H](N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1(C)CC1 ZINC000333288986 336201211 /nfs/dbraw/zinc/20/12/11/336201211.db2.gz RBAUCKXAKBVTHG-NSHDSACASA-N -1 3 311.385 3.702 20 0 DHADHM O=c1[n-]c(CN2CCC[C@H]3CCC[C@H]32)nc2c3ccccc3oc21 ZINC000333430696 336203436 /nfs/dbraw/zinc/20/34/36/336203436.db2.gz HLPIGUNSDRDLOG-TZMCWYRMSA-N -1 3 323.396 3.846 20 0 DHADHM CCOc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1OC ZINC000352472961 336221008 /nfs/dbraw/zinc/22/10/08/336221008.db2.gz MOUUJBMDSJCXAC-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM CC(C)(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000030372066 336255437 /nfs/dbraw/zinc/25/54/37/336255437.db2.gz CFAOSHRFKFOTLM-UHFFFAOYSA-N -1 3 310.246 3.708 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccccc2)ns1 ZINC000532698111 336266930 /nfs/dbraw/zinc/26/69/30/336266930.db2.gz SJWLZDHWQFOXLV-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1Cc2cc(Cl)ccc2O1 ZINC000532836623 336272753 /nfs/dbraw/zinc/27/27/53/336272753.db2.gz GMVSILBYHAACTG-CQSZACIVSA-N -1 3 324.163 3.641 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1=CCCCC1 ZINC000526946653 336276174 /nfs/dbraw/zinc/27/61/74/336276174.db2.gz WVYQAEQQHIUATH-UHFFFAOYSA-N -1 3 301.264 3.730 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@@H](C)C3)nc2)n1 ZINC000301190145 336294164 /nfs/dbraw/zinc/29/41/64/336294164.db2.gz VUQOWQZJKLBABJ-IUODEOHRSA-N -1 3 312.417 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C[C@H]3CC=CCC3)nc2)n1 ZINC000302137928 336350263 /nfs/dbraw/zinc/35/02/63/336350263.db2.gz ILFBPIQYDDFXRR-AWEZNQCLSA-N -1 3 324.428 3.599 20 0 DHADHM CCOc1ccc2c(c1)[C@@H]([N-]c1nc(C(C)C)no1)CCO2 ZINC000302333739 336357393 /nfs/dbraw/zinc/35/73/93/336357393.db2.gz AJHQMIIRHFGCQC-ZDUSSCGKSA-N -1 3 303.362 3.527 20 0 DHADHM C[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1ccncc1F ZINC000352896173 336369608 /nfs/dbraw/zinc/36/96/08/336369608.db2.gz OLDCIDZDXNCAED-VIFPVBQESA-N -1 3 314.282 3.796 20 0 DHADHM [O-]c1ccc(F)c(CN2Cc3ccccc3C3(CC3)C2)c1F ZINC000352959479 336379415 /nfs/dbraw/zinc/37/94/15/336379415.db2.gz VHXPQICBEDGQJU-UHFFFAOYSA-N -1 3 301.336 3.718 20 0 DHADHM CSc1ccc(N(C)C(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000352976941 336380886 /nfs/dbraw/zinc/38/08/86/336380886.db2.gz HFDZEJFCXKFSLU-UHFFFAOYSA-N -1 3 313.382 3.668 20 0 DHADHM CSc1ccc(N(C)C(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000352976941 336380887 /nfs/dbraw/zinc/38/08/87/336380887.db2.gz HFDZEJFCXKFSLU-UHFFFAOYSA-N -1 3 313.382 3.668 20 0 DHADHM Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000389422930 336385707 /nfs/dbraw/zinc/38/57/07/336385707.db2.gz VXIMMUHFRUOOPL-UHFFFAOYSA-N -1 3 309.287 3.649 20 0 DHADHM [O-]c1ccc(F)c(CN[C@H]2CCCc3ccc(F)cc32)c1F ZINC000353256502 336408369 /nfs/dbraw/zinc/40/83/69/336408369.db2.gz FZYQDBNFCXBMNX-HNNXBMFYSA-N -1 3 307.315 3.977 20 0 DHADHM Cc1ccsc1-c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000354043261 336456101 /nfs/dbraw/zinc/45/61/01/336456101.db2.gz XVQRZRODQJXMPN-UHFFFAOYSA-N -1 3 309.354 3.559 20 0 DHADHM CC(C)c1[nH]ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000354484505 336472560 /nfs/dbraw/zinc/47/25/60/336472560.db2.gz ZTVVCRWCMXPWRO-UHFFFAOYSA-N -1 3 323.190 3.859 20 0 DHADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc([O-])ccc1Cl ZINC000354735357 336480547 /nfs/dbraw/zinc/48/05/47/336480547.db2.gz GGKQWINZFNGSOZ-UHFFFAOYSA-N -1 3 305.736 3.604 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccccc2F)c(F)c1F ZINC000355849563 336524777 /nfs/dbraw/zinc/52/47/77/336524777.db2.gz UHGSNJFQSCBSTF-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM C[C@H]1c2ccsc2CCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000357246718 336578028 /nfs/dbraw/zinc/57/80/28/336578028.db2.gz MNUSDKDHJMZNBV-JTQLQIEISA-N -1 3 321.829 3.796 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000357369608 336582825 /nfs/dbraw/zinc/58/28/25/336582825.db2.gz VKXVKDNIYAOORK-UHFFFAOYSA-N -1 3 313.784 3.975 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2C)ccc1[O-] ZINC000357596531 336591927 /nfs/dbraw/zinc/59/19/27/336591927.db2.gz OUPUXLKWVXRKII-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000361970816 336780407 /nfs/dbraw/zinc/78/04/07/336780407.db2.gz AFLIDCLYMNMURL-CXAGYDPISA-N -1 3 312.413 3.569 20 0 DHADHM CC[C@@H](NCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000362347246 336793338 /nfs/dbraw/zinc/79/33/38/336793338.db2.gz SWWIUFLLVSRNHG-CQSZACIVSA-N -1 3 311.809 3.614 20 0 DHADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000362346671 336793383 /nfs/dbraw/zinc/79/33/83/336793383.db2.gz NOXRUXZBIUFZOK-SNVBAGLBSA-N -1 3 316.382 3.509 20 0 DHADHM CCc1cc(C(=O)N(CCc2nccs2)C(C)C)ccc1[O-] ZINC000362964095 336816556 /nfs/dbraw/zinc/81/65/56/336816556.db2.gz RLDDLCLHPWPPHI-UHFFFAOYSA-N -1 3 318.442 3.504 20 0 DHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000368068349 336837164 /nfs/dbraw/zinc/83/71/64/336837164.db2.gz HTVLEJZZYFZYBF-INIZCTEOSA-N -1 3 316.788 3.726 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)CC(C)C)c2)n1 ZINC000369932606 336874469 /nfs/dbraw/zinc/87/44/69/336874469.db2.gz IOQCBMLLKJLJTG-LBPRGKRZSA-N -1 3 313.401 3.778 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C3CC[C@@H](C)C3)c2)n1 ZINC000370283596 336881785 /nfs/dbraw/zinc/88/17/85/336881785.db2.gz QYJGOEQOJAGZQA-HLVNSREUSA-N -1 3 323.396 3.843 20 0 DHADHM O=C([N-]c1ccncc1F)c1cnc(Cc2ccccc2)s1 ZINC000123205215 337040712 /nfs/dbraw/zinc/04/07/12/337040712.db2.gz SXPOFPBBHCCWHZ-UHFFFAOYSA-N -1 3 313.357 3.520 20 0 DHADHM Cc1ccc([O-])c(CN[C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000378463040 337073559 /nfs/dbraw/zinc/07/35/59/337073559.db2.gz ZSDSRPDPCFVWDO-CQSZACIVSA-N -1 3 318.804 3.753 20 0 DHADHM CCOc1ccccc1C1=CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000378565635 337075791 /nfs/dbraw/zinc/07/57/91/337075791.db2.gz XOOCXJAGZFTYQL-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM COc1cccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000193671168 337079001 /nfs/dbraw/zinc/07/90/01/337079001.db2.gz PQBCTBVKXCPDBI-SNVBAGLBSA-N -1 3 305.761 3.796 20 0 DHADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000582694767 337123490 /nfs/dbraw/zinc/12/34/90/337123490.db2.gz HPOAMFABLOYDLS-UHFFFAOYSA-N -1 3 321.735 3.786 20 0 DHADHM CCN(CCOc1ccccc1C)Cc1csc(C(=O)[O-])c1 ZINC000582737728 337128183 /nfs/dbraw/zinc/12/81/83/337128183.db2.gz XNBQHJWFYYWKNZ-UHFFFAOYSA-N -1 3 319.426 3.656 20 0 DHADHM CCc1nnc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)o1 ZINC000173318796 337134642 /nfs/dbraw/zinc/13/46/42/337134642.db2.gz XKCYYEQWJQLRQB-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000582761789 337137796 /nfs/dbraw/zinc/13/77/96/337137796.db2.gz NKHFIORBKBVPFU-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM Cn1ccc2c1cccc2NC(=O)c1cc([O-])ccc1Cl ZINC000582773673 337146451 /nfs/dbraw/zinc/14/64/51/337146451.db2.gz BRNWWJYKCOGUDV-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c([O-])c1 ZINC000175465559 337147574 /nfs/dbraw/zinc/14/75/74/337147574.db2.gz LLQNQIQIKFZQPI-DOMZBBRYSA-N -1 3 315.369 3.607 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1[O-] ZINC000175839203 337149461 /nfs/dbraw/zinc/14/94/61/337149461.db2.gz MBDJTUXFBVQICF-FOSCPWQOSA-N -1 3 321.804 3.688 20 0 DHADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C(C)C)c1)C(F)(F)F ZINC000547818939 337152234 /nfs/dbraw/zinc/15/22/34/337152234.db2.gz XZCVLXGIFIUVRV-ZDUSSCGKSA-N -1 3 323.380 3.819 20 0 DHADHM CSc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000178126635 337162519 /nfs/dbraw/zinc/16/25/19/337162519.db2.gz UGSNOPTYGMNGAX-UHFFFAOYSA-N -1 3 321.829 3.626 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1nc2c(s1)CCCC2 ZINC000178459057 337162906 /nfs/dbraw/zinc/16/29/06/337162906.db2.gz XJWVQNOOFDQODW-UHFFFAOYSA-N -1 3 322.817 3.562 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc2ncccc21 ZINC000181772983 337184562 /nfs/dbraw/zinc/18/45/62/337184562.db2.gz XDESBDXWGNFSCA-UHFFFAOYSA-N -1 3 312.756 3.775 20 0 DHADHM Cc1nscc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000181941732 337185499 /nfs/dbraw/zinc/18/54/99/337185499.db2.gz VFQCSCWRZQIGBW-UHFFFAOYSA-N -1 3 322.459 3.678 20 0 DHADHM Cc1nc(C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182131640 337186696 /nfs/dbraw/zinc/18/66/96/337186696.db2.gz ZXKJZQOKYZHBBH-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000182206174 337187388 /nfs/dbraw/zinc/18/73/88/337187388.db2.gz JOAWARJKLNULKJ-HNNXBMFYSA-N -1 3 315.800 3.893 20 0 DHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000183239007 337192463 /nfs/dbraw/zinc/19/24/63/337192463.db2.gz KPQGPMAMXLZUIF-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1cc(C(=O)CCC(=O)Nc2ccc([O-])cc2F)c(C)s1 ZINC000183262373 337192546 /nfs/dbraw/zinc/19/25/46/337192546.db2.gz YUBILSVRTOSVBZ-UHFFFAOYSA-N -1 3 321.373 3.811 20 0 DHADHM [O-]c1cc(F)cc(CNCc2sccc2Br)c1 ZINC000184143839 337196562 /nfs/dbraw/zinc/19/65/62/337196562.db2.gz JETWKKVYHSZBMC-UHFFFAOYSA-N -1 3 316.195 3.645 20 0 DHADHM O=[S@@](Cc1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000184064814 337197026 /nfs/dbraw/zinc/19/70/26/337197026.db2.gz WCJSLVNBVVAMIH-FQEVSTJZSA-N -1 3 300.301 3.719 20 0 DHADHM Cc1cc2occ(C(=O)Nc3nnc(-c4ccco4)[n-]3)c2cc1C ZINC000185315105 337204928 /nfs/dbraw/zinc/20/49/28/337204928.db2.gz NNTVCXMWEVWZOK-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1cc2occ(C(=O)Nc3nc(-c4ccco4)n[n-]3)c2cc1C ZINC000185315105 337204929 /nfs/dbraw/zinc/20/49/29/337204929.db2.gz NNTVCXMWEVWZOK-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1cc2occ(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2cc1C ZINC000185315105 337204930 /nfs/dbraw/zinc/20/49/30/337204930.db2.gz NNTVCXMWEVWZOK-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM [O-]c1cccnc1CN[C@H](c1ccccc1F)C1CCCC1 ZINC000582931874 337215895 /nfs/dbraw/zinc/21/58/95/337215895.db2.gz FCWNUGUWEXHEOK-SFHVURJKSA-N -1 3 300.377 3.947 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000185513727 337248759 /nfs/dbraw/zinc/24/87/59/337248759.db2.gz RWLAMVDXLFHUQF-IBGZPJMESA-N -1 3 308.356 3.806 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000186184249 337254274 /nfs/dbraw/zinc/25/42/74/337254274.db2.gz QSNGOPQHRKEJRH-QGZVFWFLSA-N -1 3 321.779 3.758 20 0 DHADHM Cc1cc([C@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)ccc1F ZINC000186240462 337255002 /nfs/dbraw/zinc/25/50/02/337255002.db2.gz KRDUCVYRMTYYNL-GOSISDBHSA-N -1 3 319.351 3.552 20 0 DHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1csc(=O)[n-]1 ZINC000525921222 337270827 /nfs/dbraw/zinc/27/08/27/337270827.db2.gz XVKXOGNYWUBGLG-CQSZACIVSA-N -1 3 302.399 3.510 20 0 DHADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000189695086 337281694 /nfs/dbraw/zinc/28/16/94/337281694.db2.gz UVYSKYZKGKOFSX-DYVFJYSZSA-N -1 3 310.397 3.573 20 0 DHADHM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000190894388 337290497 /nfs/dbraw/zinc/29/04/97/337290497.db2.gz LHGFTPOBRNSTDH-UHFFFAOYSA-N -1 3 306.362 3.501 20 0 DHADHM C[C@@H]1CCCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000583269225 337297735 /nfs/dbraw/zinc/29/77/35/337297735.db2.gz ZPJWROLOPYAOOD-CYBMUJFWSA-N -1 3 314.385 3.662 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)CC1(c2ccccc2)CC1 ZINC000583274835 337300245 /nfs/dbraw/zinc/30/02/45/337300245.db2.gz QXXZZFGXBAAOTF-UHFFFAOYSA-N -1 3 313.372 3.688 20 0 DHADHM CCc1c(NC(=O)c2cccc([O-])c2)cnn1-c1ccccc1C ZINC000192140569 337303074 /nfs/dbraw/zinc/30/30/74/337303074.db2.gz GJUANBZBRCKOCB-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000583754438 337329996 /nfs/dbraw/zinc/32/99/96/337329996.db2.gz KCQVDJQGKDNRJZ-BFVZDQMLSA-N -1 3 315.335 3.966 20 0 DHADHM O=C([O-])c1ccccc1CCN(Cc1ccccc1F)C1CC1 ZINC000583877212 337369054 /nfs/dbraw/zinc/36/90/54/337369054.db2.gz ADTZCLBBMAYVKI-UHFFFAOYSA-N -1 3 313.372 3.731 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(Cl)ccn1 ZINC000109110103 337388116 /nfs/dbraw/zinc/38/81/16/337388116.db2.gz XADIYMAAAZSYBZ-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc([O-])cc1F ZINC000124610031 337406495 /nfs/dbraw/zinc/40/64/95/337406495.db2.gz WUMJAZUEOFOYSP-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000424811230 337428056 /nfs/dbraw/zinc/42/80/56/337428056.db2.gz XOBSXDQGZZJRFP-DTWKUNHWSA-N -1 3 321.270 3.758 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCOc2ccc(Cl)cc21 ZINC000129096405 337428193 /nfs/dbraw/zinc/42/81/93/337428193.db2.gz SWPPQOMUCZDKNT-NSHDSACASA-N -1 3 321.735 3.690 20 0 DHADHM CC(C)c1cc(C(=O)NCC2=CCCOC2)c([O-])c(C(C)C)c1 ZINC000564027527 337447708 /nfs/dbraw/zinc/44/77/08/337447708.db2.gz LKGUAJUSEMXUMI-UHFFFAOYSA-N -1 3 317.429 3.716 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c(C)s1 ZINC000235886460 337460836 /nfs/dbraw/zinc/46/08/36/337460836.db2.gz JOTYCTLOWAWKDU-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)cc1[O-] ZINC000420178287 337496161 /nfs/dbraw/zinc/49/61/61/337496161.db2.gz TWHQAQRYPPPZLT-CVEARBPZSA-N -1 3 317.429 3.882 20 0 DHADHM Cc1cc2c([n-]c([C@@H]3CSc4ccccc4O3)nc2=O)s1 ZINC000429569261 337564249 /nfs/dbraw/zinc/56/42/49/337564249.db2.gz RZSDXEYBQQKBRM-NSHDSACASA-N -1 3 316.407 3.931 20 0 DHADHM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262689396 337620583 /nfs/dbraw/zinc/62/05/83/337620583.db2.gz FRRCADQTJZCBEL-SFHVURJKSA-N -1 3 313.397 3.637 20 0 DHADHM Cc1sc([C@H](C)NCCC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000263191720 337625373 /nfs/dbraw/zinc/62/53/73/337625373.db2.gz IPCYHOPVVNZUTF-VIFPVBQESA-N -1 3 324.833 3.897 20 0 DHADHM O=C([O-])c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000263386262 337627413 /nfs/dbraw/zinc/62/74/13/337627413.db2.gz CWJXXPQCCQJOFC-INIZCTEOSA-N -1 3 315.344 3.527 20 0 DHADHM CCCC[C@H](NCc1ccc(Sc2ccccn2)o1)C(=O)[O-] ZINC000263409232 337628160 /nfs/dbraw/zinc/62/81/60/337628160.db2.gz KXAVTEIILBIBDB-ZDUSSCGKSA-N -1 3 320.414 3.559 20 0 DHADHM CC(C)c1ccccc1OCCNCc1ccc(C(=O)[O-])cc1 ZINC000263415453 337628346 /nfs/dbraw/zinc/62/83/46/337628346.db2.gz NATAXJMTXRJWBZ-UHFFFAOYSA-N -1 3 313.397 3.677 20 0 DHADHM CC(C)(C)c1ccc(-c2ccc(CN3CC(C(=O)[O-])C3)o2)cc1 ZINC000263507006 337630712 /nfs/dbraw/zinc/63/07/12/337630712.db2.gz MICCXBGUJFPBJR-UHFFFAOYSA-N -1 3 313.397 3.761 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000421949620 337663586 /nfs/dbraw/zinc/66/35/86/337663586.db2.gz YDUXGBPJBCUGMZ-NSHDSACASA-N -1 3 301.308 3.505 20 0 DHADHM CCOc1cc(-c2noc(-c3cccc(C(C)=O)c3)n2)ccc1[O-] ZINC000445425378 337726562 /nfs/dbraw/zinc/72/65/62/337726562.db2.gz CQQLSMCSTAVHQA-UHFFFAOYSA-N -1 3 324.336 3.711 20 0 DHADHM CC(C)(C)[C@H](CC1CCCCC1)NC(=O)c1csc(=O)[n-]1 ZINC000527163987 337734590 /nfs/dbraw/zinc/73/45/90/337734590.db2.gz QGAOFDSYFYTSPI-ZDUSSCGKSA-N -1 3 310.463 3.964 20 0 DHADHM CCC[C@@H](OCC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000528167458 337791231 /nfs/dbraw/zinc/79/12/31/337791231.db2.gz NNJUNLNQTUWPSJ-CYBMUJFWSA-N -1 3 306.362 3.719 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cccc(C(F)F)c2F)s1 ZINC000528126933 337791402 /nfs/dbraw/zinc/79/14/02/337791402.db2.gz SVYUVSSYTNVBDD-UHFFFAOYSA-N -1 3 315.320 3.991 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000122525042 337920207 /nfs/dbraw/zinc/92/02/07/337920207.db2.gz OJHREVQHLRRSLA-QPJJXVBHSA-N -1 3 306.321 3.548 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2cccs2)n1 ZINC000424616126 337920228 /nfs/dbraw/zinc/92/02/28/337920228.db2.gz FTZKBYPOLWYBRH-GXFFZTMASA-N -1 3 324.471 3.707 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000537613397 337946653 /nfs/dbraw/zinc/94/66/53/337946653.db2.gz PJZDAFLOOSZJOL-UHFFFAOYSA-N -1 3 307.353 3.513 20 0 DHADHM COc1ccc(Cl)c(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000537641039 337954784 /nfs/dbraw/zinc/95/47/84/337954784.db2.gz LBNKZNSFQBDOOH-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000424750208 337968976 /nfs/dbraw/zinc/96/89/76/337968976.db2.gz KKGWMOFJCUKZJG-WCBMZHEXSA-N -1 3 305.271 3.878 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1F ZINC000515632538 337994120 /nfs/dbraw/zinc/99/41/20/337994120.db2.gz WNTSAVXFGKPHNC-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM COc1cc(C(=O)N[C@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426527588 338034011 /nfs/dbraw/zinc/03/40/11/338034011.db2.gz BXPZQFRWOOHGSC-JTQLQIEISA-N -1 3 323.801 3.533 20 0 DHADHM C[C@@H](CCC(=O)[O-])CNCc1ccc(Oc2ccccc2)o1 ZINC000426654324 338037193 /nfs/dbraw/zinc/03/71/93/338037193.db2.gz KGFPKWDBWUJLCJ-ZDUSSCGKSA-N -1 3 303.358 3.662 20 0 DHADHM C[C@H]1CCc2nc(CNCCC(C)(C)CCC(=O)[O-])sc2C1 ZINC000426666199 338037478 /nfs/dbraw/zinc/03/74/78/338037478.db2.gz OWCVDVPPSRJKEQ-LBPRGKRZSA-N -1 3 324.490 3.639 20 0 DHADHM O=C([O-])CCCCCNCc1cc(C(F)(F)F)ccc1F ZINC000426670388 338037556 /nfs/dbraw/zinc/03/75/56/338037556.db2.gz FJJOAQSOAFLEAL-UHFFFAOYSA-N -1 3 307.287 3.579 20 0 DHADHM O=C([O-])C[C@@H](CNCc1cccc(Cl)c1F)c1ccccc1 ZINC000426667229 338037629 /nfs/dbraw/zinc/03/76/29/338037629.db2.gz YBVDBCDPSNUYEZ-AWEZNQCLSA-N -1 3 321.779 3.827 20 0 DHADHM O=C([O-])CCCCCNCc1nc(-c2ccccc2)cs1 ZINC000426681741 338037936 /nfs/dbraw/zinc/03/79/36/338037936.db2.gz CBMHJJHYTMBOES-UHFFFAOYSA-N -1 3 304.415 3.545 20 0 DHADHM O=C([O-])C[C@H](NC/C=C/c1ccc(F)cc1)c1ccsc1 ZINC000426684060 338038134 /nfs/dbraw/zinc/03/81/34/338038134.db2.gz WXOFPBNUPNZBHU-YLSAJCSVSA-N -1 3 305.374 3.706 20 0 DHADHM O=C([O-])c1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000426695453 338038322 /nfs/dbraw/zinc/03/83/22/338038322.db2.gz JELDDXJOSOQURP-UHFFFAOYSA-N -1 3 310.180 3.981 20 0 DHADHM O=C([O-])[C@H](CNCc1ccccc1F)Cc1ccccc1Cl ZINC000426705765 338038643 /nfs/dbraw/zinc/03/86/43/338038643.db2.gz XQAOPURAEOSBQC-AWEZNQCLSA-N -1 3 321.779 3.512 20 0 DHADHM Cc1ccc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426710457 338038788 /nfs/dbraw/zinc/03/87/88/338038788.db2.gz JHTKFAWZUIFCEQ-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000426725554 338039513 /nfs/dbraw/zinc/03/95/13/338039513.db2.gz ZVBIVPBEWDSUPS-KBXCAEBGSA-N -1 3 320.392 3.786 20 0 DHADHM O=C([O-])[C@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000426743810 338040354 /nfs/dbraw/zinc/04/03/54/338040354.db2.gz PEELJQYIDUVJFU-MRXNPFEDSA-N -1 3 314.772 3.737 20 0 DHADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccccc2C)cc1 ZINC000426759597 338041103 /nfs/dbraw/zinc/04/11/03/338041103.db2.gz NVEQHFVKCMPKNY-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM CO[C@](C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1F ZINC000430254905 338103380 /nfs/dbraw/zinc/10/33/80/338103380.db2.gz CUPUJMJXDNXCHN-INIZCTEOSA-N -1 3 323.751 3.685 20 0 DHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000431159039 338124406 /nfs/dbraw/zinc/12/44/06/338124406.db2.gz GBNJCMAVHOOMAQ-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CCc1c([N-]C(=O)[C@@H](C)OCCC(C)C)onc1C(F)(F)F ZINC000431391647 338129653 /nfs/dbraw/zinc/12/96/53/338129653.db2.gz NUBWWSGREFIVLS-SECBINFHSA-N -1 3 322.327 3.646 20 0 DHADHM Cc1nc(S(=O)(=O)CCCC(C)C)[n-]c1-c1ccccc1 ZINC000431591623 338134226 /nfs/dbraw/zinc/13/42/26/338134226.db2.gz GBTMIINBSAFZCZ-UHFFFAOYSA-N -1 3 306.431 3.595 20 0 DHADHM Cc1[n-]c(S(=O)(=O)CCCC(C)C)nc1-c1ccccc1 ZINC000431591623 338134227 /nfs/dbraw/zinc/13/42/27/338134227.db2.gz GBTMIINBSAFZCZ-UHFFFAOYSA-N -1 3 306.431 3.595 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000431847007 338140018 /nfs/dbraw/zinc/14/00/18/338140018.db2.gz UOZIMCRXNWSFPV-BDJLRTHQSA-N -1 3 301.773 3.879 20 0 DHADHM O=C([N-]c1ccc(Cl)cc1F)c1noc(-c2ccccc2)n1 ZINC000433109714 338182066 /nfs/dbraw/zinc/18/20/66/338182066.db2.gz LVBSKJJHHFGVSH-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM Cc1ccc(NC(=O)CO[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000435469484 338240949 /nfs/dbraw/zinc/24/09/49/338240949.db2.gz KBZLREYVKNFJRU-SFHVURJKSA-N -1 3 311.381 3.733 20 0 DHADHM CSc1ccc(C)c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000435808791 338249974 /nfs/dbraw/zinc/24/99/74/338249974.db2.gz NPCJBKCPQNZYSC-UHFFFAOYSA-N -1 3 324.409 3.754 20 0 DHADHM Cc1nc2cc(CSc3nc(C4CC4)cc(=O)[n-]3)ccc2[nH]1 ZINC000436254043 338263909 /nfs/dbraw/zinc/26/39/09/338263909.db2.gz RFFGALYEPBBLBN-UHFFFAOYSA-N -1 3 312.398 3.537 20 0 DHADHM Cc1nc2ccc(CSc3nc(C4CC4)cc(=O)[n-]3)cc2[nH]1 ZINC000436254043 338263910 /nfs/dbraw/zinc/26/39/10/338263910.db2.gz RFFGALYEPBBLBN-UHFFFAOYSA-N -1 3 312.398 3.537 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000436480641 338273700 /nfs/dbraw/zinc/27/37/00/338273700.db2.gz WVKUVQFVPYTGDZ-UHFFFAOYSA-N -1 3 313.300 3.548 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436482365 338273728 /nfs/dbraw/zinc/27/37/28/338273728.db2.gz DAKJMJPAQLKZPM-NSHDSACASA-N -1 3 311.337 3.643 20 0 DHADHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccccc1 ZINC000436484555 338273845 /nfs/dbraw/zinc/27/38/45/338273845.db2.gz IKYNHNWCKKMDCA-GFCCVEGCSA-N -1 3 311.381 3.597 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000436513472 338274729 /nfs/dbraw/zinc/27/47/29/338274729.db2.gz OEGZENWLIYUDHN-QGZVFWFLSA-N -1 3 301.361 3.967 20 0 DHADHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H]3c3ccccc3)c([O-])c2O1 ZINC000436524792 338275165 /nfs/dbraw/zinc/27/51/65/338275165.db2.gz BLYRNUXMNDNEPO-MRXNPFEDSA-N -1 3 323.392 3.693 20 0 DHADHM COCCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)c1ccccc1 ZINC000436529773 338275424 /nfs/dbraw/zinc/27/54/24/338275424.db2.gz CIYGSGLLPJQVCD-OAHLLOKOSA-N -1 3 313.397 3.550 20 0 DHADHM COc1ccc(C(=O)N([C@H](C)c2ccccc2)C2CC2)c([O-])c1 ZINC000436532578 338275487 /nfs/dbraw/zinc/27/54/87/338275487.db2.gz KTHZVXNFVBAESY-CYBMUJFWSA-N -1 3 311.381 3.767 20 0 DHADHM CC(C)[C@@H](C)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436534821 338275650 /nfs/dbraw/zinc/27/56/50/338275650.db2.gz QLTYXLDSBFRHEC-GFCCVEGCSA-N -1 3 317.429 3.755 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc2O1 ZINC000436538792 338276062 /nfs/dbraw/zinc/27/60/62/338276062.db2.gz LINZXJOJXMVWDZ-CYBMUJFWSA-N -1 3 323.392 3.699 20 0 DHADHM CC(C)CN(Cc1ccccc1F)C(=O)c1ccccc1[O-] ZINC000436540234 338276108 /nfs/dbraw/zinc/27/61/08/338276108.db2.gz OSWGQNNWJRYKPJ-UHFFFAOYSA-N -1 3 301.361 3.830 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000436544166 338276382 /nfs/dbraw/zinc/27/63/82/338276382.db2.gz BPRFXBZUVUBXPT-JQWIXIFHSA-N -1 3 301.308 3.504 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)C2Cc3ccccc3C2)c([O-])c1 ZINC000436551857 338276638 /nfs/dbraw/zinc/27/66/38/338276638.db2.gz ASAIORTWTMRXRB-UHFFFAOYSA-N -1 3 309.409 3.755 20 0 DHADHM COc1c(Cl)cccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436551470 338276741 /nfs/dbraw/zinc/27/67/41/338276741.db2.gz ZKVVDLMOTSCIEL-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM COc1cc(C)cc(C(=O)N(C)c2ccc(SC)cc2)c1[O-] ZINC000436555430 338276854 /nfs/dbraw/zinc/27/68/54/338276854.db2.gz OAOULJGYAOATDF-UHFFFAOYSA-N -1 3 317.410 3.708 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1[O-] ZINC000436552809 338276914 /nfs/dbraw/zinc/27/69/14/338276914.db2.gz AKQGZVORDIIMPP-NSHDSACASA-N -1 3 318.442 3.946 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000436556156 338276974 /nfs/dbraw/zinc/27/69/74/338276974.db2.gz PMAJYXIOMQOYGU-KBAYOESNSA-N -1 3 307.393 3.801 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436557829 338277043 /nfs/dbraw/zinc/27/70/43/338277043.db2.gz VTAVBTWEOHZDAH-QGZVFWFLSA-N -1 3 309.409 3.796 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(OC(C)C)cc2)c1[O-] ZINC000436562766 338277310 /nfs/dbraw/zinc/27/73/10/338277310.db2.gz KFFUNPLQGOJXEZ-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM C[C@H]1C[C@H](C)N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436562418 338277348 /nfs/dbraw/zinc/27/73/48/338277348.db2.gz JLCAROYHJGXVSF-GJZGRUSLSA-N -1 3 309.409 3.854 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c([O-])c1C ZINC000436569200 338277413 /nfs/dbraw/zinc/27/74/13/338277413.db2.gz AZKSTCBNKLDWSO-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM CC(C)COc1ncccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436566415 338277509 /nfs/dbraw/zinc/27/75/09/338277509.db2.gz PNYZUGDTKXTOMV-UHFFFAOYSA-N -1 3 311.341 3.539 20 0 DHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000436576448 338278044 /nfs/dbraw/zinc/27/80/44/338278044.db2.gz QPUUBIDXDUQDAY-KBPBESRZSA-N -1 3 311.381 3.913 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1 ZINC000436579499 338278100 /nfs/dbraw/zinc/27/81/00/338278100.db2.gz XGCMCIVKKIKCQH-WBVHZDCISA-N -1 3 309.409 3.794 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436578798 338278242 /nfs/dbraw/zinc/27/82/42/338278242.db2.gz SLKOTZIUJHWDPD-QGZVFWFLSA-N -1 3 309.409 3.973 20 0 DHADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436587950 338278631 /nfs/dbraw/zinc/27/86/31/338278631.db2.gz YHFJTFHBZUOMPM-GJZGRUSLSA-N -1 3 309.409 3.996 20 0 DHADHM Cc1cccc(C(=O)N2CC(c3nc4ccccc4s3)C2)c1[O-] ZINC000436590644 338278683 /nfs/dbraw/zinc/27/86/83/338278683.db2.gz UDPXVKRNMZDKMF-UHFFFAOYSA-N -1 3 324.405 3.550 20 0 DHADHM Cc1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000436591665 338278988 /nfs/dbraw/zinc/27/89/88/338278988.db2.gz XRZLHQAEEDBHFU-NWDGAFQWSA-N -1 3 315.335 3.799 20 0 DHADHM O=C(Nc1nccs1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436594334 338279035 /nfs/dbraw/zinc/27/90/35/338279035.db2.gz GPRSQZGGTVKJLL-UHFFFAOYSA-N -1 3 324.405 3.886 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cccc([C@H]4CCOC4)c3)n2)cc1 ZINC000436595718 338279096 /nfs/dbraw/zinc/27/90/96/338279096.db2.gz MQYXUFTZEBCAMK-HNNXBMFYSA-N -1 3 308.337 3.613 20 0 DHADHM [O-]c1ccc(-c2noc(C3=Cc4cc(F)ccc4OC3)n2)cc1 ZINC000436597873 338279277 /nfs/dbraw/zinc/27/92/77/338279277.db2.gz XCQUZSTYFCQOBV-UHFFFAOYSA-N -1 3 310.284 3.514 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn([C@@H](C)CC)c2C)c([O-])c1 ZINC000436596676 338279385 /nfs/dbraw/zinc/27/93/85/338279385.db2.gz NETNWCPEVBTJHH-NSHDSACASA-N -1 3 301.390 3.683 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000436614968 338280047 /nfs/dbraw/zinc/28/00/47/338280047.db2.gz BMZMDPLICAAVNO-UHFFFAOYSA-N -1 3 315.417 3.929 20 0 DHADHM COC[C@H](C)[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436621840 338280265 /nfs/dbraw/zinc/28/02/65/338280265.db2.gz YIRRWUWEZBCIRK-NWDGAFQWSA-N -1 3 312.369 3.981 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(F)cc1F ZINC000436635324 338280824 /nfs/dbraw/zinc/28/08/24/338280824.db2.gz SZDYSWJMDFKMEJ-CQSZACIVSA-N -1 3 321.323 3.560 20 0 DHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC000436658375 338281868 /nfs/dbraw/zinc/28/18/68/338281868.db2.gz LDSQYTFEAOPVPH-LBPRGKRZSA-N -1 3 307.349 3.742 20 0 DHADHM COc1ccc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000436665669 338282197 /nfs/dbraw/zinc/28/21/97/338282197.db2.gz RVIGPFTYHDJCDM-CQSZACIVSA-N -1 3 317.429 3.833 20 0 DHADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436674143 338282367 /nfs/dbraw/zinc/28/23/67/338282367.db2.gz NTZHAFAQPCAEMW-AWEZNQCLSA-N -1 3 305.761 3.632 20 0 DHADHM CCc1cc(C(=O)N(CC)[C@@H](CC)c2ccncc2)ccc1[O-] ZINC000436700720 338283385 /nfs/dbraw/zinc/28/33/85/338283385.db2.gz WYROHZPSALFJGL-KRWDZBQOSA-N -1 3 312.413 3.963 20 0 DHADHM CCc1cc(-c2nc(-c3ccc([O-])c(OC)c3)no2)oc1CC ZINC000436703575 338283430 /nfs/dbraw/zinc/28/34/30/338283430.db2.gz HHLCIOPHLMBBFO-UHFFFAOYSA-N -1 3 314.341 3.836 20 0 DHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436721977 338284210 /nfs/dbraw/zinc/28/42/10/338284210.db2.gz ZLDKVUKPKSZWFQ-SNVBAGLBSA-N -1 3 304.415 3.637 20 0 DHADHM Cc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c([O-])c1C ZINC000436725255 338284392 /nfs/dbraw/zinc/28/43/92/338284392.db2.gz WZCCSKUBTBVXFU-UHFFFAOYSA-N -1 3 315.335 3.814 20 0 DHADHM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1c([O-])cccc1O ZINC000436736348 338284862 /nfs/dbraw/zinc/28/48/62/338284862.db2.gz GJKSQQGZKOEBMA-CABCVRRESA-N -1 3 311.381 3.554 20 0 DHADHM CC(C)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436740756 338284973 /nfs/dbraw/zinc/28/49/73/338284973.db2.gz RSMOSSQVTSYPJC-INIZCTEOSA-N -1 3 319.788 3.878 20 0 DHADHM COc1cc(C)c(NC(=O)c2ccc(C)c(C)c2[O-])cc1OC ZINC000436746110 338285126 /nfs/dbraw/zinc/28/51/26/338285126.db2.gz DHIXRQVCJWZZGH-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c([O-])c1C ZINC000436746252 338285141 /nfs/dbraw/zinc/28/51/41/338285141.db2.gz DRAJJCVSTWWULR-UHFFFAOYSA-N -1 3 313.372 3.953 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1[O-] ZINC000436743598 338285161 /nfs/dbraw/zinc/28/51/61/338285161.db2.gz XUQXHYHYDLWOBE-UHFFFAOYSA-N -1 3 301.317 3.670 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1[O-] ZINC000436753875 338285605 /nfs/dbraw/zinc/28/56/05/338285605.db2.gz GQQMHMZMXFMTBI-UHFFFAOYSA-N -1 3 312.369 3.547 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)c([O-])c1C ZINC000436756512 338285747 /nfs/dbraw/zinc/28/57/47/338285747.db2.gz QWGIJRPPBJUHSM-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM Cc1ccc(C(=O)N(C)CCOc2ccccc2Cl)c([O-])c1 ZINC000436756740 338285865 /nfs/dbraw/zinc/28/58/65/338285865.db2.gz FALMOPPXUWOUCD-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM CCCN(CC(C)C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436761378 338286204 /nfs/dbraw/zinc/28/62/04/338286204.db2.gz YXMAWNIJDDXFKB-UHFFFAOYSA-N -1 3 305.418 3.614 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3c(F)cccc3F)n2)cc1 ZINC000436766560 338286346 /nfs/dbraw/zinc/28/63/46/338286346.db2.gz CZXMFVZTOOKSMT-HJWRWDBZSA-N -1 3 300.264 3.891 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)CCO4)n2)cc1 ZINC000436772108 338286718 /nfs/dbraw/zinc/28/67/18/338286718.db2.gz MTKABRNAGCISPN-KRXBUXKQSA-N -1 3 306.321 3.548 20 0 DHADHM CCS[C@H](c1nc(-c2ccc([O-])c(OC)c2)no1)C(C)C ZINC000436782404 338287092 /nfs/dbraw/zinc/28/70/92/338287092.db2.gz BPIBZFAGMJXRAU-ZDUSSCGKSA-N -1 3 308.403 3.901 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)c([O-])c1C ZINC000436797625 338287858 /nfs/dbraw/zinc/28/78/58/338287858.db2.gz GYPVJLNTBCCQOC-DOMZBBRYSA-N -1 3 317.335 3.573 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c([O-])c1 ZINC000436799189 338287959 /nfs/dbraw/zinc/28/79/59/338287959.db2.gz XONHHRSGGYXEMQ-QGZVFWFLSA-N -1 3 309.409 3.938 20 0 DHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CC1(C)C ZINC000436813963 338288277 /nfs/dbraw/zinc/28/82/77/338288277.db2.gz JLHXMZQYILBQJO-SFHVURJKSA-N -1 3 309.409 3.854 20 0 DHADHM CCc1ccc(C(=O)Nc2cccc(Cl)c2OC)c([O-])c1 ZINC000436811561 338288360 /nfs/dbraw/zinc/28/83/60/338288360.db2.gz VSNRBDBSSDAAKR-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000436831171 338289015 /nfs/dbraw/zinc/28/90/15/338289015.db2.gz DVRMAOKJWWLOJI-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM CCc1ccc(C(=O)N(CC)[C@@H](CC)c2ccncc2)c([O-])c1 ZINC000436835352 338289201 /nfs/dbraw/zinc/28/92/01/338289201.db2.gz VXLWZIWMVSUTNZ-KRWDZBQOSA-N -1 3 312.413 3.963 20 0 DHADHM COCCCC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436852678 338289776 /nfs/dbraw/zinc/28/97/76/338289776.db2.gz PJFJNDSLQMCGKO-KRWDZBQOSA-N -1 3 313.397 3.680 20 0 DHADHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000436849119 338289916 /nfs/dbraw/zinc/28/99/16/338289916.db2.gz CVIJBPXGYLIBSA-HXUWFJFHSA-N -1 3 309.409 3.976 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4cnn(C)c4c3)no2)c([O-])c1 ZINC000436854263 338290009 /nfs/dbraw/zinc/29/00/09/338290009.db2.gz GKMZCKBMQUGZTE-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccnc(C(F)(F)F)c2)no1 ZINC000436883929 338291679 /nfs/dbraw/zinc/29/16/79/338291679.db2.gz DDOWBXCITALDJE-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C\c3nc4ccccc4o3)n2)cc1 ZINC000436892029 338292092 /nfs/dbraw/zinc/29/20/92/338292092.db2.gz JZXSUOCWOSJIEA-KTKRTIGZSA-N -1 3 305.293 3.754 20 0 DHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(C2CC2)no1 ZINC000436891412 338292236 /nfs/dbraw/zinc/29/22/36/338292236.db2.gz IJVLXQOHIYHTTD-UHFFFAOYSA-N -1 3 308.337 3.899 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)ccc1[O-] ZINC000436897864 338292487 /nfs/dbraw/zinc/29/24/87/338292487.db2.gz UVAPRAGZVFOCSB-AWEZNQCLSA-N -1 3 313.397 3.979 20 0 DHADHM Cc1ccc([O-])c(-c2nc(COc3ccc(Cl)cc3)no2)c1 ZINC000436905767 338292860 /nfs/dbraw/zinc/29/28/60/338292860.db2.gz UMEVLSZOFWPJTF-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(O)cc1[O-] ZINC000436910971 338293082 /nfs/dbraw/zinc/29/30/82/338293082.db2.gz SUNFKLFJMODOFO-ZWKOTPCHSA-N -1 3 319.360 3.537 20 0 DHADHM COc1ccc2ccccc2c1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436921969 338293450 /nfs/dbraw/zinc/29/34/50/338293450.db2.gz LILLZMLWXJRIRD-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM Cc1cc([O-])ccc1-c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000436920945 338293455 /nfs/dbraw/zinc/29/34/55/338293455.db2.gz IEKBKJQKZVLROS-UHFFFAOYSA-N -1 3 312.394 3.957 20 0 DHADHM Cc1cc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)ccc1[O-] ZINC000436923946 338293718 /nfs/dbraw/zinc/29/37/18/338293718.db2.gz VTAOGQSZJIQLBM-LLVKDONJSA-N -1 3 305.324 3.812 20 0 DHADHM Cc1nc(NC(=O)c2c([O-])cccc2O)ccc1-c1ccccc1 ZINC000436929000 338293979 /nfs/dbraw/zinc/29/39/79/338293979.db2.gz STLNIQQWQAGCPM-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM CSCCc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436930351 338294130 /nfs/dbraw/zinc/29/41/30/338294130.db2.gz XCPHNLIOKGXMSL-UHFFFAOYSA-N -1 3 301.411 3.858 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)cc2NC(C)C)ccc1[O-] ZINC000436933812 338294200 /nfs/dbraw/zinc/29/42/00/338294200.db2.gz DQUFGPPMIMRFCQ-UHFFFAOYSA-N -1 3 302.349 3.912 20 0 DHADHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436940498 338294733 /nfs/dbraw/zinc/29/47/33/338294733.db2.gz BABNDQCFXFLUMV-GOSISDBHSA-N -1 3 309.409 3.856 20 0 DHADHM CC[C@@H](C)Oc1cc(-c2noc(-c3ccccc3[O-])n2)ccn1 ZINC000436942856 338294924 /nfs/dbraw/zinc/29/49/24/338294924.db2.gz JORWWNWYPJFMOV-LLVKDONJSA-N -1 3 311.341 3.682 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1[O-] ZINC000436948575 338295314 /nfs/dbraw/zinc/29/53/14/338295314.db2.gz JUXYTVNOQBLXRM-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CCNc1ccc(Cl)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436952738 338295519 /nfs/dbraw/zinc/29/55/19/338295519.db2.gz XZTWBFMMLFGCHQ-UHFFFAOYSA-N -1 3 320.776 3.738 20 0 DHADHM CCNc1ccc(Cl)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436951985 338295613 /nfs/dbraw/zinc/29/56/13/338295613.db2.gz TZBQYQCDUYBUDD-UHFFFAOYSA-N -1 3 320.776 3.738 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000436983981 338296852 /nfs/dbraw/zinc/29/68/52/338296852.db2.gz XYNGCOSJUHBWLS-ZIAGYGMSSA-N -1 3 305.418 3.689 20 0 DHADHM Cc1ccc(C(=O)NCc2cccc(OC(F)F)c2)c([O-])c1C ZINC000436987046 338296869 /nfs/dbraw/zinc/29/68/69/338296869.db2.gz HBVSVBQGNBXZPV-UHFFFAOYSA-N -1 3 321.323 3.540 20 0 DHADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1OC(C)C ZINC000436988904 338296901 /nfs/dbraw/zinc/29/69/01/338296901.db2.gz QHIGNJWLLCSNPP-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM COc1ccccc1Cc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436991697 338296952 /nfs/dbraw/zinc/29/69/52/338296952.db2.gz SKSIAUBXWKOKNT-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC000436991735 338297007 /nfs/dbraw/zinc/29/70/07/338297007.db2.gz ZBQBOFTXXRHASW-HUUCEWRRSA-N -1 3 317.429 3.833 20 0 DHADHM CCCCOc1ccc(C(=O)N(CC)CCC2CC2)c([O-])c1 ZINC000436992640 338297011 /nfs/dbraw/zinc/29/70/11/338297011.db2.gz VUZBLLLMBRDDLA-UHFFFAOYSA-N -1 3 305.418 3.833 20 0 DHADHM O=C(NC1CCC(F)(F)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436988862 338297060 /nfs/dbraw/zinc/29/70/60/338297060.db2.gz POOLBMPYGFNJPU-UHFFFAOYSA-N -1 3 309.356 3.579 20 0 DHADHM Cc1cnc([C@H](C)CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436993096 338297081 /nfs/dbraw/zinc/29/70/81/338297081.db2.gz YIJKGHKGODPRGI-LLVKDONJSA-N -1 3 318.442 3.814 20 0 DHADHM C[C@H](CSc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156253765 338350072 /nfs/dbraw/zinc/35/00/72/338350072.db2.gz GNHNRGZZHJQQDA-GFCCVEGCSA-N -1 3 319.401 3.576 20 0 DHADHM Cc1ccc(SCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000156285973 338351023 /nfs/dbraw/zinc/35/10/23/338351023.db2.gz ZEBDRKOLBKHIFK-UHFFFAOYSA-N -1 3 319.401 3.638 20 0 DHADHM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])o1 ZINC000440275919 338385102 /nfs/dbraw/zinc/38/51/02/338385102.db2.gz YVKGNKQUMZINQM-GFCCVEGCSA-N -1 3 301.386 3.662 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CCc2ccc(C)o2)c1 ZINC000440275846 338385124 /nfs/dbraw/zinc/38/51/24/338385124.db2.gz YFDSILXPNWFPES-GFCCVEGCSA-N -1 3 301.386 3.607 20 0 DHADHM COc1cccc(C(=O)N2CCCC3(C2)CCCCCC3)c1[O-] ZINC000440333124 338385863 /nfs/dbraw/zinc/38/58/63/338385863.db2.gz RTJDDZOZVXEMJR-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM CCCC[C@H](CCC)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000440827682 338398418 /nfs/dbraw/zinc/39/84/18/338398418.db2.gz ZKNJCEWJHYERER-AWEZNQCLSA-N -1 3 314.429 3.864 20 0 DHADHM O=C(CCOc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000440949289 338400272 /nfs/dbraw/zinc/40/02/72/338400272.db2.gz OQJDEWNCQIORHX-UHFFFAOYSA-N -1 3 309.724 3.592 20 0 DHADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)ccc1[O-] ZINC000442871889 338436814 /nfs/dbraw/zinc/43/68/14/338436814.db2.gz XWWLPNCAOZXIRP-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2Cl)n1 ZINC000447631056 338562274 /nfs/dbraw/zinc/56/22/74/338562274.db2.gz UJIHQDMGVQQFKW-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(F)(c3ccccc3)CC2)n1 ZINC000447876812 338569988 /nfs/dbraw/zinc/56/99/88/338569988.db2.gz FSHFJMYZAGOPGF-AWEZNQCLSA-N -1 3 315.392 3.512 20 0 DHADHM [O-]c1cc(F)cc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449764510 338650990 /nfs/dbraw/zinc/65/09/90/338650990.db2.gz BRVWKEZLCVETRW-INIZCTEOSA-N -1 3 321.417 3.586 20 0 DHADHM Cc1cccc2c1O[C@H](C(=O)N1CC[C@@H](C)c3cccc([O-])c31)C2 ZINC000450940741 338713503 /nfs/dbraw/zinc/71/35/03/338713503.db2.gz RMNNEKMSLSPESU-PXAZEXFGSA-N -1 3 323.392 3.545 20 0 DHADHM CC1=C(C(=O)Nc2c([O-])ccc(Br)c2C)CCC1 ZINC000452758124 338778073 /nfs/dbraw/zinc/77/80/73/338778073.db2.gz RFBZBTGPARPGFV-UHFFFAOYSA-N -1 3 310.191 3.902 20 0 DHADHM COC1(c2noc(Cc3ccc([O-])cc3Cl)n2)CCCCC1 ZINC000453239262 338812639 /nfs/dbraw/zinc/81/26/39/338812639.db2.gz NBIQBWDBYFOFSA-UHFFFAOYSA-N -1 3 322.792 3.825 20 0 DHADHM COc1ccc(N(CC2CC2)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000456174371 338921272 /nfs/dbraw/zinc/92/12/72/338921272.db2.gz HYDJXBGANJVXSZ-UHFFFAOYSA-N -1 3 311.381 3.766 20 0 DHADHM CCc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)ccc1[O-] ZINC000456558421 338934155 /nfs/dbraw/zinc/93/41/55/338934155.db2.gz GHZKKEJRVPNQGS-KRWDZBQOSA-N -1 3 311.381 3.915 20 0 DHADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000457984958 338984750 /nfs/dbraw/zinc/98/47/50/338984750.db2.gz DCVJOGKMYCTCHZ-NOZJJQNGSA-N -1 3 301.308 3.575 20 0 DHADHM Cc1cc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)ccc1[O-] ZINC000458234763 338992694 /nfs/dbraw/zinc/99/26/94/338992694.db2.gz CTLLKQXKGZLBKV-CYBMUJFWSA-N -1 3 301.361 3.543 20 0 DHADHM O=c1cc(CN2CCCCC[C@@H]2c2ccco2)nc(C2CC2)[n-]1 ZINC000459357644 339024111 /nfs/dbraw/zinc/02/41/11/339024111.db2.gz CXTNNPDPRGMZAG-OAHLLOKOSA-N -1 3 313.401 3.770 20 0 DHADHM CC(C)C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccs1 ZINC000459413917 339027928 /nfs/dbraw/zinc/02/79/28/339027928.db2.gz YBGSPHCHKUSWND-AWEZNQCLSA-N -1 3 317.458 3.998 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2ncc(C)o2)cc(Cl)c1[O-] ZINC000459468226 339030866 /nfs/dbraw/zinc/03/08/66/339030866.db2.gz BRFUGKHTOMPURL-JTQLQIEISA-N -1 3 310.781 3.592 20 0 DHADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000459477696 339031494 /nfs/dbraw/zinc/03/14/94/339031494.db2.gz SJOURXGEDRHLAM-HNNXBMFYSA-N -1 3 317.820 3.954 20 0 DHADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000459477697 339031567 /nfs/dbraw/zinc/03/15/67/339031567.db2.gz SJOURXGEDRHLAM-OAHLLOKOSA-N -1 3 317.820 3.954 20 0 DHADHM CC[C@H](C)[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000462887244 339096346 /nfs/dbraw/zinc/09/63/46/339096346.db2.gz AEOPHWHQMLNIAP-IINYFYTJSA-N -1 3 315.808 3.579 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c1 ZINC000463169975 339107856 /nfs/dbraw/zinc/10/78/56/339107856.db2.gz JHAWEQCTFLODEZ-CQSZACIVSA-N -1 3 317.429 3.833 20 0 DHADHM C[C@H](C1CC1)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000468313269 339259488 /nfs/dbraw/zinc/25/94/88/339259488.db2.gz RSTMZIMKIQOYFJ-GFCCVEGCSA-N -1 3 305.393 3.644 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2[nH]ccc2c1 ZINC000468353142 339260401 /nfs/dbraw/zinc/26/04/01/339260401.db2.gz YZBSVJJDWZAWKA-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000468541751 339265679 /nfs/dbraw/zinc/26/56/79/339265679.db2.gz HYTAXTBBTMHCBK-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C(C1CC1)C1CC1 ZINC000468833885 339272080 /nfs/dbraw/zinc/27/20/80/339272080.db2.gz GUVACWGTNGYRIV-UHFFFAOYSA-N -1 3 305.393 3.501 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cccc(C)c3C)cc2[n-]1 ZINC000468935575 339275244 /nfs/dbraw/zinc/27/52/44/339275244.db2.gz MNVHVTXQBURNOF-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cccc(C)c3C)ccc2[n-]1 ZINC000468935575 339275245 /nfs/dbraw/zinc/27/52/45/339275245.db2.gz MNVHVTXQBURNOF-UHFFFAOYSA-N -1 3 309.369 3.831 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)COCC(F)F)c1[O-] ZINC000469047188 339278650 /nfs/dbraw/zinc/27/86/50/339278650.db2.gz TYUIKQWMKUOVHF-UHFFFAOYSA-N -1 3 321.751 3.600 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000469093802 339279994 /nfs/dbraw/zinc/27/99/94/339279994.db2.gz VNOCXXVOPFVZPS-WWGRRREGSA-N -1 3 307.409 3.795 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2cccc(F)c2F)c2c([O-])cccc21 ZINC000469292052 339285273 /nfs/dbraw/zinc/28/52/73/339285273.db2.gz YCQMSSSVBYUDQO-LLVKDONJSA-N -1 3 317.335 3.753 20 0 DHADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469381399 339287345 /nfs/dbraw/zinc/28/73/45/339287345.db2.gz MXJQRLYGOZNYRG-CHWSQXEVSA-N -1 3 307.409 3.795 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000469414579 339288368 /nfs/dbraw/zinc/28/83/68/339288368.db2.gz SZMDEKZAUFUCEM-HOCLYGCPSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@@H]1CC[C@]2(CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)C1 ZINC000469797515 339300709 /nfs/dbraw/zinc/30/07/09/339300709.db2.gz CLNMLILMKSSAJB-KUHUBIRLSA-N -1 3 319.420 3.893 20 0 DHADHM CCCc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469821087 339302085 /nfs/dbraw/zinc/30/20/85/339302085.db2.gz OUYNWLGSNGBADR-UHFFFAOYSA-N -1 3 322.405 3.902 20 0 DHADHM O=C(NCc1ncccc1[O-])Nc1ccccc1-c1ccccc1 ZINC000471141780 339338375 /nfs/dbraw/zinc/33/83/75/339338375.db2.gz XTGMHCPXGGVPNZ-UHFFFAOYSA-N -1 3 319.364 3.776 20 0 DHADHM [O-]c1cc(F)cc(-c2nc3cc(Br)ccc3[nH]2)c1 ZINC000471427217 339344558 /nfs/dbraw/zinc/34/45/58/339344558.db2.gz MEZILBHWSISFSK-UHFFFAOYSA-N -1 3 307.122 3.837 20 0 DHADHM [O-]c1cc(F)cc(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000471427217 339344559 /nfs/dbraw/zinc/34/45/59/339344559.db2.gz MEZILBHWSISFSK-UHFFFAOYSA-N -1 3 307.122 3.837 20 0 DHADHM [O-]c1cc(F)cc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000473140225 339382281 /nfs/dbraw/zinc/38/22/81/339382281.db2.gz LFNKXJHMJKNZGE-FQEVSTJZSA-N -1 3 322.383 3.938 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000473650285 339389531 /nfs/dbraw/zinc/38/95/31/339389531.db2.gz RZELSKIPVIWGOW-RHSMWYFYSA-N -1 3 313.372 3.906 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1[O-] ZINC000473650286 339389591 /nfs/dbraw/zinc/38/95/91/339389591.db2.gz RZELSKIPVIWGOW-WMLDXEAASA-N -1 3 313.372 3.906 20 0 DHADHM CO[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC000474356492 339410707 /nfs/dbraw/zinc/41/07/07/339410707.db2.gz QJZLTMVBHLADMY-SFHVURJKSA-N -1 3 313.397 3.593 20 0 DHADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000476156703 339470363 /nfs/dbraw/zinc/47/03/63/339470363.db2.gz MUSYSGQAAWPMDG-RXMQYKEDSA-N -1 3 301.186 3.548 20 0 DHADHM Cc1ccc2c(c1)CN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000482845927 339644238 /nfs/dbraw/zinc/64/42/38/339644238.db2.gz RUUBHRRRVXIZMU-UHFFFAOYSA-N -1 3 313.372 3.705 20 0 DHADHM COc1cc(Cl)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000485497327 339704504 /nfs/dbraw/zinc/70/45/04/339704504.db2.gz BDLJUIDUGXTMBI-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CCc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1[O-] ZINC000485650634 339708214 /nfs/dbraw/zinc/70/82/14/339708214.db2.gz BRIOWCAFWOCBCG-UHFFFAOYSA-N -1 3 319.364 3.664 20 0 DHADHM O=C(c1cc2cc(Cl)sc2[n-]1)N1CCOc2ccccc21 ZINC000485660274 339708585 /nfs/dbraw/zinc/70/85/85/339708585.db2.gz WIABUXZZSBOXOR-UHFFFAOYSA-N -1 3 318.785 3.922 20 0 DHADHM CCc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)ccc1[O-] ZINC000485959166 339717152 /nfs/dbraw/zinc/71/71/52/339717152.db2.gz RJBKRYCGJYGRQT-UHFFFAOYSA-N -1 3 318.804 3.926 20 0 DHADHM Cc1ccccc1-n1nccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000486076454 339720302 /nfs/dbraw/zinc/72/03/02/339720302.db2.gz OAYGBIGDLRADNC-CMDGGOBGSA-N -1 3 318.380 3.724 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000486150255 339722189 /nfs/dbraw/zinc/72/21/89/339722189.db2.gz XQRUUQRFSANEJZ-WAYWQWQTSA-N -1 3 310.275 3.602 20 0 DHADHM CCc1cc(C(=O)N[C@H](C)c2cccc(F)c2F)ccc1[O-] ZINC000486889367 339737357 /nfs/dbraw/zinc/73/73/57/339737357.db2.gz VZDNEVOXXWKIJE-SNVBAGLBSA-N -1 3 305.324 3.724 20 0 DHADHM CCc1cc(C(=O)Nc2cn(-c3ccccc3)nc2C)ccc1[O-] ZINC000487165061 339744898 /nfs/dbraw/zinc/74/48/98/339744898.db2.gz MTTPPUDMFOKURG-UHFFFAOYSA-N -1 3 321.380 3.701 20 0 DHADHM CCc1cc(C(=O)N[C@H](CC(F)(F)F)C(C)C)ccc1[O-] ZINC000487376693 339752428 /nfs/dbraw/zinc/75/24/28/339752428.db2.gz GWVIWTOMMKRTER-GFCCVEGCSA-N -1 3 303.324 3.661 20 0 DHADHM CCc1cc(C(=O)N(C)Cc2cc(F)cc(F)c2)ccc1[O-] ZINC000487619073 339759515 /nfs/dbraw/zinc/75/95/15/339759515.db2.gz PXAZPXSUSKFBDE-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM COCc1nocc1C(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000487680012 339760924 /nfs/dbraw/zinc/76/09/24/339760924.db2.gz TXMNFHUOHMBUQI-UHFFFAOYSA-N -1 3 319.119 3.519 20 0 DHADHM Cc1ccc2oc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC000488814812 339794218 /nfs/dbraw/zinc/79/42/18/339794218.db2.gz KVTGVSDEPOCBLK-JTQLQIEISA-N -1 3 301.371 3.794 20 0 DHADHM CCc1cc(C(=O)N2CCCc3cccc([O-])c32)sc1C ZINC000490863450 339842245 /nfs/dbraw/zinc/84/22/45/339842245.db2.gz SVUGKVMQRNFHGJ-UHFFFAOYSA-N -1 3 301.411 3.918 20 0 DHADHM CC(F)(F)c1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492738263 339907837 /nfs/dbraw/zinc/90/78/37/339907837.db2.gz QTKSGLIOOHRBPP-WAYWQWQTSA-N -1 3 304.296 3.551 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)ccc1[O-] ZINC000493006820 339914739 /nfs/dbraw/zinc/91/47/39/339914739.db2.gz WJANXKXJVXBZBS-OCCSQVGLSA-N -1 3 305.418 3.688 20 0 DHADHM COC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1C ZINC000496377037 340004259 /nfs/dbraw/zinc/00/42/59/340004259.db2.gz JYNSZZSPYCWJQY-UHFFFAOYSA-N -1 3 304.321 3.630 20 0 DHADHM Cc1cc(CNC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC000499529625 340038896 /nfs/dbraw/zinc/03/88/96/340038896.db2.gz PYIWTSLXCJYMQX-UHFFFAOYSA-N -1 3 310.180 3.937 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)ccc1[O-] ZINC000499998945 340048387 /nfs/dbraw/zinc/04/83/87/340048387.db2.gz HSFVUWVHZYZKNZ-QGZVFWFLSA-N -1 3 309.409 3.796 20 0 DHADHM CCC(C)(CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000500051029 340049381 /nfs/dbraw/zinc/04/93/81/340049381.db2.gz QESWERYLZKAQJR-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1cc(C(=O)NCc2cccc(-c3ccccn3)c2)ccc1[O-] ZINC000500293245 340054726 /nfs/dbraw/zinc/05/47/26/340054726.db2.gz WEKBXHXZEJOFDV-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN(C)CCCCc1ccccc1 ZINC000516576280 340055337 /nfs/dbraw/zinc/05/53/37/340055337.db2.gz NKBGCVQRNPENHW-UHFFFAOYSA-N -1 3 315.413 3.995 20 0 DHADHM Cc1cc(C(=O)Nc2nc3c(ccc(F)c3F)s2)ccc1[O-] ZINC000500422584 340057896 /nfs/dbraw/zinc/05/78/96/340057896.db2.gz QLBYUMQEYTWVQB-UHFFFAOYSA-N -1 3 320.320 3.841 20 0 DHADHM Cc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)ccc1[O-] ZINC000500690081 340065146 /nfs/dbraw/zinc/06/51/46/340065146.db2.gz YDHFKOKIFPMXCE-RISCZKNCSA-N -1 3 319.763 3.779 20 0 DHADHM CC[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1ccccc1 ZINC000500929646 340070338 /nfs/dbraw/zinc/07/03/38/340070338.db2.gz YPDHDICEYMNFTP-CYBMUJFWSA-N -1 3 324.359 3.743 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCCn2cccc2)c([O-])c1 ZINC000506244602 340189808 /nfs/dbraw/zinc/18/98/08/340189808.db2.gz YEQYLEHLLQRSNW-UHFFFAOYSA-N -1 3 300.402 3.910 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)C(=O)c2ccc(F)cc2)c([O-])c1 ZINC000506251633 340190077 /nfs/dbraw/zinc/19/00/77/340190077.db2.gz BOVMHEKFCUBISX-UHFFFAOYSA-N -1 3 315.344 3.650 20 0 DHADHM COc1ccccc1CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000507172010 340211158 /nfs/dbraw/zinc/21/11/58/340211158.db2.gz YQVQELNRVQDQMU-UHFFFAOYSA-N -1 3 319.351 3.844 20 0 DHADHM COCCN(Cc1c(F)ccc([O-])c1F)[C@@H](C)c1ccccc1 ZINC000507392903 340218528 /nfs/dbraw/zinc/21/85/28/340218528.db2.gz RCUPAMCTAUIKMX-ZDUSSCGKSA-N -1 3 321.367 3.880 20 0 DHADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccsc1 ZINC000507953618 340236532 /nfs/dbraw/zinc/23/65/32/340236532.db2.gz VBOODTIZKPEXSA-UHFFFAOYSA-N -1 3 314.407 3.508 20 0 DHADHM COc1ccccc1CCN(C)Cc1cccc([O-])c1Cl ZINC000508238741 340241191 /nfs/dbraw/zinc/24/11/91/340241191.db2.gz HGGYWVFNEHZWTR-UHFFFAOYSA-N -1 3 305.805 3.729 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccccc3F)C2)c1F ZINC000508354643 340242743 /nfs/dbraw/zinc/24/27/43/340242743.db2.gz KSOXHGKPWIJGCN-NSHDSACASA-N -1 3 307.315 3.799 20 0 DHADHM CCc1ccc(CN(C)C(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508525063 340245652 /nfs/dbraw/zinc/24/56/52/340245652.db2.gz DCDLRRULODGSTC-UHFFFAOYSA-N -1 3 317.816 3.809 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1cccc(C)c1 ZINC000508602675 340247614 /nfs/dbraw/zinc/24/76/14/340247614.db2.gz FRIZIQHSCUERBJ-UHFFFAOYSA-N -1 3 303.789 3.950 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCc2cc(F)ccc21 ZINC000508785521 340253138 /nfs/dbraw/zinc/25/31/38/340253138.db2.gz NLESVDLCBFLVPW-UHFFFAOYSA-N -1 3 319.763 3.707 20 0 DHADHM CC[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508801565 340253428 /nfs/dbraw/zinc/25/34/28/340253428.db2.gz IUMMOBNDWJSQBK-ZDUSSCGKSA-N -1 3 317.816 3.898 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000509095566 340260774 /nfs/dbraw/zinc/26/07/74/340260774.db2.gz FFONFDHAKUHULY-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccccc2OCC(F)F)c1F ZINC000509228123 340264140 /nfs/dbraw/zinc/26/41/40/340264140.db2.gz UBMGXMMSAXNRFD-UHFFFAOYSA-N -1 3 315.266 3.926 20 0 DHADHM C[C@@H](CN(C)C(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000509333316 340266415 /nfs/dbraw/zinc/26/64/15/340266415.db2.gz DWSPXJFDZWULHR-ZDUSSCGKSA-N -1 3 317.816 3.850 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1[O-] ZINC000302970195 340290975 /nfs/dbraw/zinc/29/09/75/340290975.db2.gz QXOCDHNMTMDNHA-UHFFFAOYSA-N -1 3 311.259 3.852 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1[O-] ZINC000302974315 340291617 /nfs/dbraw/zinc/29/16/17/340291617.db2.gz TTYYMVNLQUGJCX-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000303600738 340336957 /nfs/dbraw/zinc/33/69/57/340336957.db2.gz NRXTZCJKOFMJMZ-HXUWFJFHSA-N -1 3 309.409 3.895 20 0 DHADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1c1ccccc1)c1cccs1 ZINC000512037439 340346285 /nfs/dbraw/zinc/34/62/85/340346285.db2.gz PYTKYXYFGCKMDU-LSDHHAIUSA-N -1 3 321.467 3.753 20 0 DHADHM CN(Cc1c(F)ccc([O-])c1F)CC1(c2ccccc2)CC1 ZINC000512971269 340386172 /nfs/dbraw/zinc/38/61/72/340386172.db2.gz CEHTVTCVQFYDTQ-UHFFFAOYSA-N -1 3 303.352 3.834 20 0 DHADHM C[C@@H](CC(=O)Nc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000513052850 340390967 /nfs/dbraw/zinc/39/09/67/340390967.db2.gz WITWJMHEGPDIBV-JTQLQIEISA-N -1 3 324.302 3.938 20 0 DHADHM Cc1cc(C)c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)o1 ZINC000176548172 340428354 /nfs/dbraw/zinc/42/83/54/340428354.db2.gz DCEACGORMRMCDB-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM COc1ccc(F)c([N-]C(=O)c2cc(-c3cccs3)on2)c1 ZINC000088210379 340459091 /nfs/dbraw/zinc/45/90/91/340459091.db2.gz FBBHOAMFAWWFHP-UHFFFAOYSA-N -1 3 318.329 3.803 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000183034571 340486201 /nfs/dbraw/zinc/48/62/01/340486201.db2.gz YMQZMELKQUVQQH-JXFKEZNVSA-N -1 3 307.393 3.933 20 0 DHADHM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000521843302 340536062 /nfs/dbraw/zinc/53/60/62/340536062.db2.gz DRJXPMQIPOJDCR-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523433974 340623921 /nfs/dbraw/zinc/62/39/21/340623921.db2.gz DSCTXAIFNKSQLI-UKRRQHHQSA-N -1 3 308.397 3.689 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523513243 340627377 /nfs/dbraw/zinc/62/73/77/340627377.db2.gz SDUQRAINPLHPQT-ZFWWWQNUSA-N -1 3 322.424 3.935 20 0 DHADHM Cc1ccn2cc(C(=O)Nc3cc(Cl)cc(C)c3[O-])nc2c1 ZINC000523942790 340644611 /nfs/dbraw/zinc/64/46/11/340644611.db2.gz GALYXEYYIWHTPG-UHFFFAOYSA-N -1 3 315.760 3.562 20 0 DHADHM CC(C)(C)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000524134262 340648162 /nfs/dbraw/zinc/64/81/62/340648162.db2.gz DCZJLWLDJJRDIN-UHFFFAOYSA-N -1 3 300.196 3.920 20 0 DHADHM C[C@H]1c2ccsc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235364919 340659059 /nfs/dbraw/zinc/65/90/59/340659059.db2.gz QGELQTHRMJXUHF-VIFPVBQESA-N -1 3 307.802 3.867 20 0 DHADHM CCO[C@@H](c1noc(-c2ccc(C)cc2[O-])n1)c1ccccc1 ZINC000322468804 340704990 /nfs/dbraw/zinc/70/49/90/340704990.db2.gz LFTGEGUVBZKNOL-MRXNPFEDSA-N -1 3 310.353 3.877 20 0 DHADHM CCc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([O-])c1 ZINC000527286985 340710714 /nfs/dbraw/zinc/71/07/14/340710714.db2.gz FGOZIMFCLCCKIH-UHFFFAOYSA-N -1 3 324.384 3.533 20 0 DHADHM CN(C)CCOc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328217347 340747138 /nfs/dbraw/zinc/74/71/38/340747138.db2.gz KMGFGIXFEDKAQB-UHFFFAOYSA-N -1 3 320.820 3.598 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC(C)(C)c3ccccc32)o1 ZINC000538006868 340806971 /nfs/dbraw/zinc/80/69/71/340806971.db2.gz LYJKOZQXBLMRBJ-HNNXBMFYSA-N -1 3 319.426 3.679 20 0 DHADHM CC[C@H](C)n1ncc(NCc2nc(C)ccc2[O-])c1C1CC1 ZINC000539224354 340877275 /nfs/dbraw/zinc/87/72/75/340877275.db2.gz DETSUUHNMGAPKT-LBPRGKRZSA-N -1 3 300.406 3.753 20 0 DHADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)Cc1cccc(F)c1 ZINC000128435481 340885781 /nfs/dbraw/zinc/88/57/81/340885781.db2.gz OGIWQKZYFTVUMQ-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM Cc1cc(SC2CCCCC2)ccc1NC(=O)c1nc[n-]n1 ZINC000541897348 340987970 /nfs/dbraw/zinc/98/79/70/340987970.db2.gz BKBXHJBYGFWHOB-UHFFFAOYSA-N -1 3 316.430 3.790 20 0 DHADHM CCc1cc(=O)[n-]c(CNC2(c3ccccc3)CCCCC2)n1 ZINC000130806848 341046002 /nfs/dbraw/zinc/04/60/02/341046002.db2.gz KSSFXRZWPCIBNE-UHFFFAOYSA-N -1 3 311.429 3.694 20 0 DHADHM O=S(=O)([N-]CCCC1CCCC1)c1ccc(Cl)s1 ZINC000071852838 341052803 /nfs/dbraw/zinc/05/28/03/341052803.db2.gz IFHDYXKJLCRLAI-UHFFFAOYSA-N -1 3 307.868 3.650 20 0 DHADHM CC(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000071946399 341055383 /nfs/dbraw/zinc/05/53/83/341055383.db2.gz KOANWPDPTNDBQB-UHFFFAOYSA-N -1 3 322.408 3.969 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000543746729 341056662 /nfs/dbraw/zinc/05/66/62/341056662.db2.gz TYYJNANKNUBFFA-AWEZNQCLSA-N -1 3 315.344 3.678 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1 ZINC000544318604 341076570 /nfs/dbraw/zinc/07/65/70/341076570.db2.gz YHDMDVUSYOVJHV-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM Cc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)ccc1[O-] ZINC000544822377 341094852 /nfs/dbraw/zinc/09/48/52/341094852.db2.gz QTOLOTLXHNMTBW-UHFFFAOYSA-N -1 3 321.298 3.922 20 0 DHADHM C[C@@H]1C[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCO1 ZINC000545091958 341107938 /nfs/dbraw/zinc/10/79/38/341107938.db2.gz HQENJRPVQDQEGQ-DGCLKSJQSA-N -1 3 314.385 3.604 20 0 DHADHM C[C@H]1C[C@H](c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCO1 ZINC000545091959 341108049 /nfs/dbraw/zinc/10/80/49/341108049.db2.gz HQENJRPVQDQEGQ-WCQYABFASA-N -1 3 314.385 3.604 20 0 DHADHM COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2ccccc2[O-])n1 ZINC000545132830 341109827 /nfs/dbraw/zinc/10/98/27/341109827.db2.gz SLDVNTPWEDIYIT-HNNXBMFYSA-N -1 3 322.364 3.919 20 0 DHADHM COCc1nc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)co1 ZINC000545252987 341117453 /nfs/dbraw/zinc/11/74/53/341117453.db2.gz QPXJCWDUDQQPOG-UHFFFAOYSA-N -1 3 319.119 3.519 20 0 DHADHM CCc1cccc(-c2nc(Cc3cc(C)ccc3OC)no2)c1[O-] ZINC000545540602 341129411 /nfs/dbraw/zinc/12/94/11/341129411.db2.gz UGZBRQNFHTZVKV-UHFFFAOYSA-N -1 3 324.380 3.912 20 0 DHADHM CCc1cccc(-c2nc(COc3ccccc3C)no2)c1[O-] ZINC000545741392 341138982 /nfs/dbraw/zinc/13/89/82/341138982.db2.gz DFYCLZCWXLRLAO-UHFFFAOYSA-N -1 3 310.353 3.892 20 0 DHADHM [O-]c1cccnc1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000564299343 341152759 /nfs/dbraw/zinc/15/27/59/341152759.db2.gz WOUBPJFKMQELBP-SFHVURJKSA-N -1 3 307.397 3.996 20 0 DHADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)Cc1cccc(F)c1 ZINC000074825035 341152813 /nfs/dbraw/zinc/15/28/13/341152813.db2.gz GKBKFOOPYJZDPN-LBPRGKRZSA-N -1 3 319.351 3.556 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Cl)sc1Cl ZINC000133152500 341158283 /nfs/dbraw/zinc/15/82/83/341158283.db2.gz DATHYVLNZFFRSS-UHFFFAOYSA-N -1 3 320.172 3.830 20 0 DHADHM Cc1ccc(S[C@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133153625 341158330 /nfs/dbraw/zinc/15/83/30/341158330.db2.gz CYDLEOZQOBPQBX-GFCCVEGCSA-N -1 3 319.401 3.637 20 0 DHADHM Cc1ccc(-c2nc([C@H]3CCN(C)c4ccccc43)no2)c([O-])c1 ZINC000546351052 341164771 /nfs/dbraw/zinc/16/47/71/341164771.db2.gz CATVOSVQQKYOOO-AWEZNQCLSA-N -1 3 321.380 3.722 20 0 DHADHM O=C(Cc1ccc2ccccc2c1)NCc1ccc([O-])c(F)c1 ZINC000133231517 341165084 /nfs/dbraw/zinc/16/50/84/341165084.db2.gz WBMOTVFOWAEWCQ-UHFFFAOYSA-N -1 3 309.340 3.543 20 0 DHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3ccoc3)n2)cc1 ZINC000075178662 341170381 /nfs/dbraw/zinc/17/03/81/341170381.db2.gz BFCMSSOHQKSJAR-UHFFFAOYSA-N -1 3 317.395 3.843 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1ccc(Br)s1 ZINC000133305774 341171267 /nfs/dbraw/zinc/17/12/67/341171267.db2.gz OGROFTVNZVGHAU-UHFFFAOYSA-N -1 3 315.192 3.622 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c(F)c1 ZINC000133412068 341174941 /nfs/dbraw/zinc/17/49/41/341174941.db2.gz AWNTWRUQRUAMGN-CYBMUJFWSA-N -1 3 307.390 3.680 20 0 DHADHM C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1F)c1ccccc1 ZINC000133501610 341176964 /nfs/dbraw/zinc/17/69/64/341176964.db2.gz NEFZJRZDXANUKR-LLVKDONJSA-N -1 3 311.353 3.510 20 0 DHADHM CCc1cccc(-c2nc(-c3cc(F)cc(F)c3)no2)c1[O-] ZINC000547033838 341192878 /nfs/dbraw/zinc/19/28/78/341192878.db2.gz JYWMACREFSVLOM-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([O-])c1 ZINC000076518665 341208892 /nfs/dbraw/zinc/20/88/92/341208892.db2.gz RLGUEHRIQRSZKT-DZGCQCFKSA-N -1 3 313.372 3.858 20 0 DHADHM CCc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)oc1CC ZINC000134890740 341225986 /nfs/dbraw/zinc/22/59/86/341225986.db2.gz NLZKASRCVRSBNA-UHFFFAOYSA-N -1 3 319.308 3.527 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])oc1C ZINC000134971251 341227588 /nfs/dbraw/zinc/22/75/88/341227588.db2.gz SDQYPTMDDUHDKJ-UHFFFAOYSA-N -1 3 310.147 3.617 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1[O-] ZINC000135244047 341234186 /nfs/dbraw/zinc/23/41/86/341234186.db2.gz LNNJONGDHBBKKN-HIFRSBDPSA-N -1 3 313.372 3.858 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000078243764 341238902 /nfs/dbraw/zinc/23/89/02/341238902.db2.gz LMDDDOHAZMMJNJ-LLVKDONJSA-N -1 3 319.788 3.887 20 0 DHADHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000078408579 341241589 /nfs/dbraw/zinc/24/15/89/341241589.db2.gz OHLSXTYTKBYMNC-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM FC(F)(F)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000079077998 341253181 /nfs/dbraw/zinc/25/31/81/341253181.db2.gz NZECMMRPHNNBCG-UHFFFAOYSA-N -1 3 323.727 3.692 20 0 DHADHM CC[C@@H]1[C@H](C)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548490059 341263863 /nfs/dbraw/zinc/26/38/63/341263863.db2.gz QZXBEPVXTFEILG-DGCLKSJQSA-N -1 3 311.385 3.702 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(Cl)c[nH]1 ZINC000081458984 341291649 /nfs/dbraw/zinc/29/16/49/341291649.db2.gz FQJLMHCQMDRIAS-UHFFFAOYSA-N -1 3 304.655 3.645 20 0 DHADHM COc1cccc(C(=O)NC(C)(C)c2ccc(Cl)cc2)c1[O-] ZINC000550886759 341325644 /nfs/dbraw/zinc/32/56/44/341325644.db2.gz AWXPHEAAKQODBB-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1[O-] ZINC000552070196 341367203 /nfs/dbraw/zinc/36/72/03/341367203.db2.gz CLRMVXSHOCANDY-UHFFFAOYSA-N -1 3 313.284 3.732 20 0 DHADHM Cc1n[nH]cc1CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000552389549 341390739 /nfs/dbraw/zinc/39/07/39/341390739.db2.gz IABLGSONGDXVJD-UHFFFAOYSA-N -1 3 315.417 3.601 20 0 DHADHM C[C@H](NCc1ncccc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000554860308 341467106 /nfs/dbraw/zinc/46/71/06/341467106.db2.gz COSSARTUKWFUCG-AWEZNQCLSA-N -1 3 305.381 3.700 20 0 DHADHM Cc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)s1 ZINC000163119524 341510941 /nfs/dbraw/zinc/51/09/41/341510941.db2.gz NAOOCVJQZPWRMF-UHFFFAOYSA-N -1 3 314.399 3.590 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(c2ccsc2)CC1 ZINC000567117004 341581134 /nfs/dbraw/zinc/58/11/34/341581134.db2.gz SIKHYMDKZWOMCV-LLVKDONJSA-N -1 3 305.399 3.980 20 0 DHADHM C[C@@H](CNC(=O)Cc1ccc([O-])cc1Cl)Cc1cccs1 ZINC000154561685 341591499 /nfs/dbraw/zinc/59/14/99/341591499.db2.gz ZOQPKHVMVHHSTD-LLVKDONJSA-N -1 3 323.845 3.645 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)cc2cccnc21 ZINC000174894942 341832894 /nfs/dbraw/zinc/83/28/94/341832894.db2.gz RYJUTUVNPHBWQP-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC(=Cc1ccc(F)cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000576446083 341846667 /nfs/dbraw/zinc/84/66/67/341846667.db2.gz GTKRHPLWKXZKCS-NTMALXAHSA-N -1 3 321.315 3.708 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000576649433 341857058 /nfs/dbraw/zinc/85/70/58/341857058.db2.gz XRAZCFCAOCUZLD-LBPRGKRZSA-N -1 3 323.396 3.604 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000577393642 341907850 /nfs/dbraw/zinc/90/78/50/341907850.db2.gz OUOXQFOBVTZAKZ-GOSISDBHSA-N -1 3 317.335 3.551 20 0 DHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cccc([O-])c1F ZINC000577573684 341919308 /nfs/dbraw/zinc/91/93/08/341919308.db2.gz PNYUOYRXUFIPKZ-LBPRGKRZSA-N -1 3 324.355 3.897 20 0 DHADHM CCCN(CCC(=O)[O-])[C@@H](C)c1ccccc1Br ZINC000236972814 521629589 /nfs/dbraw/zinc/62/95/89/521629589.db2.gz WXGMDVJDUPHWAT-NSHDSACASA-N -1 3 314.223 3.697 20 0 DHADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)Cc2cncc([O-])c2)cc1 ZINC000565608467 517486257 /nfs/dbraw/zinc/48/62/57/517486257.db2.gz PGUDTAZBLCGILK-IBGZPJMESA-N -1 3 324.424 3.817 20 0 DHADHM FC(F)c1nnc([N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000278694458 518195936 /nfs/dbraw/zinc/19/59/36/518195936.db2.gz MGYUTZPLPQPRDS-UWVGGRQHSA-N -1 3 315.707 3.603 20 0 DHADHM CC(C)(C)Sc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000189549748 518913471 /nfs/dbraw/zinc/91/34/71/518913471.db2.gz KFBBEYWRLIJZTG-LBPRGKRZSA-N -1 3 324.446 3.667 20 0 DHADHM CC(C)(C)c1csc([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000338163850 519087738 /nfs/dbraw/zinc/08/77/38/519087738.db2.gz TXGFWFJRLSNZLJ-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2cccc(F)c2Cl)n1 ZINC000266311760 519141226 /nfs/dbraw/zinc/14/12/26/519141226.db2.gz UKYICCPDLOVILG-UHFFFAOYSA-N -1 3 313.785 3.880 20 0 DHADHM CC(C)Cc1nc(C(=O)N2CCCc3cccc([O-])c32)cs1 ZINC000182943563 519453939 /nfs/dbraw/zinc/45/39/39/519453939.db2.gz GOIFOHYUUNPBOH-UHFFFAOYSA-N -1 3 316.426 3.640 20 0 DHADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000236723697 519637536 /nfs/dbraw/zinc/63/75/36/519637536.db2.gz OWNQXEWFHSODMH-UHFFFAOYSA-N -1 3 307.390 3.849 20 0 DHADHM CC(C)CC[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000158136075 519685543 /nfs/dbraw/zinc/68/55/43/519685543.db2.gz ZKJKVARDPXGCIB-ZDUSSCGKSA-N -1 3 319.474 3.775 20 0 DHADHM CC(C)CN(CC(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264885427 519713232 /nfs/dbraw/zinc/71/32/32/519713232.db2.gz IUGFNCKWKIJSAS-UHFFFAOYSA-N -1 3 300.402 3.695 20 0 DHADHM CCO[N-]C(=O)Nc1cnn(-c2cccc(Cl)c2)c1C(C)C ZINC000368896728 520237539 /nfs/dbraw/zinc/23/75/39/520237539.db2.gz OHZWTCFKCWFGFY-UHFFFAOYSA-N -1 3 322.796 3.722 20 0 DHADHM CCC[C@@H](C)N(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000266154780 520646589 /nfs/dbraw/zinc/64/65/89/520646589.db2.gz MEZZOKSWQFHKEE-LLVKDONJSA-N -1 3 304.365 3.649 20 0 DHADHM CCN(CC)[C@H](CNCc1cccc([O-])c1Cl)c1ccco1 ZINC000339210750 520866851 /nfs/dbraw/zinc/86/68/51/520866851.db2.gz FCEAHOBDDOYKSQ-CQSZACIVSA-N -1 3 322.836 3.811 20 0 DHADHM CCC(CC)n1nc(C(=O)Nc2cc(F)ccc2[O-])cc1C ZINC000180677395 521642199 /nfs/dbraw/zinc/64/21/99/521642199.db2.gz IFILAFORMIOTOT-UHFFFAOYSA-N -1 3 305.353 3.650 20 0 DHADHM CCc1cnc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000267005286 522018159 /nfs/dbraw/zinc/01/81/59/522018159.db2.gz FNFHZMYSZLEQII-UHFFFAOYSA-N -1 3 318.442 3.807 20 0 DHADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000283763384 534617534 /nfs/dbraw/zinc/61/75/34/534617534.db2.gz AZFWDHIEIAIEDN-LLVKDONJSA-N -1 3 312.479 3.810 20 0 DHADHM Cc1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1[O-] ZINC000267722343 524164281 /nfs/dbraw/zinc/16/42/81/524164281.db2.gz KJBWGIFPIKWVGD-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM Cc1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1[O-] ZINC000187982110 524169868 /nfs/dbraw/zinc/16/98/68/524169868.db2.gz UVUBBYWYBBUBAC-UHFFFAOYSA-N -1 3 301.411 3.782 20 0 DHADHM COc1ccc(F)c([N-]C(=O)c2ncsc2C(F)(F)F)c1 ZINC000338447273 524293085 /nfs/dbraw/zinc/29/30/85/524293085.db2.gz JYVWZUNAYDVEAX-UHFFFAOYSA-N -1 3 320.267 3.562 20 0 DHADHM Cc1cccc(CN(CCCCC(=O)[O-])Cc2ccccn2)c1 ZINC000181585536 524381741 /nfs/dbraw/zinc/38/17/41/524381741.db2.gz SCIYVWBSLCZVGR-UHFFFAOYSA-N -1 3 312.413 3.647 20 0 DHADHM Cc1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)s1 ZINC000181957178 524620911 /nfs/dbraw/zinc/62/09/11/524620911.db2.gz MOUJVAVGVJTBFV-AWEZNQCLSA-N -1 3 313.382 3.728 20 0 DHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C)c1 ZINC000154828267 525230782 /nfs/dbraw/zinc/23/07/82/525230782.db2.gz VFHIRBOVNOGVCV-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM COc1cccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1[O-] ZINC000173355984 525806083 /nfs/dbraw/zinc/80/60/83/525806083.db2.gz QYIGNOYAKYSSIU-JSGCOSHPSA-N -1 3 315.369 3.607 20 0 DHADHM Cc1ccc2c(CC(=O)[N-]OCCC(F)(F)F)coc2c1C ZINC000162621137 526122696 /nfs/dbraw/zinc/12/26/96/526122696.db2.gz PMHFGYPPFSAXFZ-UHFFFAOYSA-N -1 3 315.291 3.592 20 0 DHADHM [O-]c1cccc(CNCCc2c[nH]c3ccc(F)cc23)c1Cl ZINC000339262230 526358515 /nfs/dbraw/zinc/35/85/15/526358515.db2.gz QVMPUIQVUHVPOP-UHFFFAOYSA-N -1 3 318.779 3.998 20 0 DHADHM O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155666213 526502107 /nfs/dbraw/zinc/50/21/07/526502107.db2.gz OVBZDAJHVNASRC-HZPDHXFCSA-N -1 3 311.356 3.614 20 0 DHADHM O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155666538 526567266 /nfs/dbraw/zinc/56/72/66/526567266.db2.gz OVBZDAJHVNASRC-HOTGVXAUSA-N -1 3 311.356 3.614 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000156580310 526582970 /nfs/dbraw/zinc/58/29/70/526582970.db2.gz WJGUGDHGUDDJPF-UHFFFAOYSA-N -1 3 305.403 3.867 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ccncc1 ZINC000366330885 526625903 /nfs/dbraw/zinc/62/59/03/526625903.db2.gz UCEOCPHNCBYDGJ-SFHVURJKSA-N -1 3 318.376 3.918 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccccc1 ZINC000163760703 526685281 /nfs/dbraw/zinc/68/52/81/526685281.db2.gz QJJOTRDYKKCTMH-INIZCTEOSA-N -1 3 314.360 3.578 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000162844074 526844434 /nfs/dbraw/zinc/84/44/34/526844434.db2.gz YBHDCMHTYSBOFH-CABCVRRESA-N -1 3 323.314 3.944 20 0 DHADHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(-c2cccs2)c1 ZINC000189545956 526847434 /nfs/dbraw/zinc/84/74/34/526847434.db2.gz YXXVCFHBPULDDG-LBPRGKRZSA-N -1 3 318.398 3.505 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000155947132 526850850 /nfs/dbraw/zinc/85/08/50/526850850.db2.gz UOVCUZCJHLOLSY-OAHLLOKOSA-N -1 3 318.398 3.995 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000155947132 526850858 /nfs/dbraw/zinc/85/08/58/526850858.db2.gz UOVCUZCJHLOLSY-OAHLLOKOSA-N -1 3 318.398 3.995 20 0 DHADHM O=C(Nc1ccc(F)cn1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000104279382 527217417 /nfs/dbraw/zinc/21/74/17/527217417.db2.gz NYAOHGAJPUQOMH-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)c1ccccc1 ZINC000339568643 527342516 /nfs/dbraw/zinc/34/25/16/527342516.db2.gz KKPCUZMZIJYCSM-UHFFFAOYSA-N -1 3 320.373 3.976 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cscn1 ZINC000102999584 527531016 /nfs/dbraw/zinc/53/10/16/527531016.db2.gz YJBDEOIZXMQKPL-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(C)noc1C ZINC000340303989 535429992 /nfs/dbraw/zinc/42/99/92/535429992.db2.gz YEFCIKMAHYLDPZ-LLVKDONJSA-N -1 3 308.765 3.783 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC([O-])=NOCc2cccnc2)c1 ZINC000272325443 535629430 /nfs/dbraw/zinc/62/94/30/535629430.db2.gz JEPGHYFLGNTUBD-CYBMUJFWSA-N -1 3 315.373 3.512 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OCc2cccnc2)c1 ZINC000272325443 535629433 /nfs/dbraw/zinc/62/94/33/535629433.db2.gz JEPGHYFLGNTUBD-CYBMUJFWSA-N -1 3 315.373 3.512 20 0 DHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000736368988 598975273 /nfs/dbraw/zinc/97/52/73/598975273.db2.gz JKJKAXBNBOQFPY-HNNXBMFYSA-N -1 3 315.327 3.708 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cccc(Cl)c1 ZINC000737643217 599064242 /nfs/dbraw/zinc/06/42/42/599064242.db2.gz CZUPBZWCUXDTNK-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cccc(Cl)c1 ZINC000737643217 599064245 /nfs/dbraw/zinc/06/42/45/599064245.db2.gz CZUPBZWCUXDTNK-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000737643110 599066128 /nfs/dbraw/zinc/06/61/28/599066128.db2.gz ADXZNPDSLLPXPF-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000737643110 599066131 /nfs/dbraw/zinc/06/61/31/599066131.db2.gz ADXZNPDSLLPXPF-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Cc1cccc(F)c1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822308566 599068703 /nfs/dbraw/zinc/06/87/03/599068703.db2.gz HMXNMYBVSBUFJC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(F)c1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822308566 599068704 /nfs/dbraw/zinc/06/87/04/599068704.db2.gz HMXNMYBVSBUFJC-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822108338 607267404 /nfs/dbraw/zinc/26/74/04/607267404.db2.gz HXPGRQIPVUKJRC-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822108338 607267405 /nfs/dbraw/zinc/26/74/05/607267405.db2.gz HXPGRQIPVUKJRC-UHFFFAOYSA-N -1 3 321.384 3.551 20 0 DHADHM O=C([O-])c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000076273234 597137006 /nfs/dbraw/zinc/13/70/06/597137006.db2.gz VJGIQRHRSOPVKM-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM C[C@@H](Sc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192238 599284757 /nfs/dbraw/zinc/28/47/57/599284757.db2.gz KQUKZGKJVYCARZ-SNVBAGLBSA-N -1 3 322.397 3.596 20 0 DHADHM C[C@@H](Sc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192238 599284759 /nfs/dbraw/zinc/28/47/59/599284759.db2.gz KQUKZGKJVYCARZ-SNVBAGLBSA-N -1 3 322.397 3.596 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000821516819 598151741 /nfs/dbraw/zinc/15/17/41/598151741.db2.gz ZDQYJDVZXKOENF-LLVKDONJSA-N -1 3 322.455 3.558 20 0 DHADHM c1ccc2c(c1)CCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738442904 598245719 /nfs/dbraw/zinc/24/57/19/598245719.db2.gz RPOFTKSKGNWEDX-KRWDZBQOSA-N -1 3 305.385 3.746 20 0 DHADHM CC[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736335185 598331299 /nfs/dbraw/zinc/33/12/99/598331299.db2.gz YPWRAPSVLLPIHK-STQMWFEESA-N -1 3 316.405 3.543 20 0 DHADHM CC[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736335185 598331301 /nfs/dbraw/zinc/33/13/01/598331301.db2.gz YPWRAPSVLLPIHK-STQMWFEESA-N -1 3 316.405 3.543 20 0 DHADHM Cc1ccc(C)c(CSc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737322774 598386575 /nfs/dbraw/zinc/38/65/75/598386575.db2.gz NJFCWAVMASTOQT-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM c1ccc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738425788 598460139 /nfs/dbraw/zinc/46/01/39/598460139.db2.gz AYPBZLIBWBKERS-MRXNPFEDSA-N -1 3 319.412 3.641 20 0 DHADHM Clc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737575558 598506844 /nfs/dbraw/zinc/50/68/44/598506844.db2.gz MQJIBIVGVZFIIO-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737575558 598506845 /nfs/dbraw/zinc/50/68/45/598506845.db2.gz MQJIBIVGVZFIIO-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1cc(C)c(CNc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737247526 598601694 /nfs/dbraw/zinc/60/16/94/598601694.db2.gz WWEQCFCZKZQGHP-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cc(C)c(CNc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247526 598601695 /nfs/dbraw/zinc/60/16/95/598601695.db2.gz WWEQCFCZKZQGHP-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737367919 598642928 /nfs/dbraw/zinc/64/29/28/598642928.db2.gz DCVNFQQHKGSRPV-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737367919 598642930 /nfs/dbraw/zinc/64/29/30/598642930.db2.gz DCVNFQQHKGSRPV-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735603723 598734516 /nfs/dbraw/zinc/73/45/16/598734516.db2.gz OPJFRHQUEDKCOH-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735603723 598734518 /nfs/dbraw/zinc/73/45/18/598734518.db2.gz OPJFRHQUEDKCOH-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000737343426 598793648 /nfs/dbraw/zinc/79/36/48/598793648.db2.gz XKDWKPLAIWXGPF-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000737343426 598793646 /nfs/dbraw/zinc/79/36/46/598793646.db2.gz XKDWKPLAIWXGPF-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM CCCCC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736441349 598816667 /nfs/dbraw/zinc/81/66/67/598816667.db2.gz PZAFBJJFZXQDFU-INIZCTEOSA-N -1 3 322.416 3.995 20 0 DHADHM CCCCC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736441349 598816669 /nfs/dbraw/zinc/81/66/69/598816669.db2.gz PZAFBJJFZXQDFU-INIZCTEOSA-N -1 3 322.416 3.995 20 0 DHADHM CC(C)Oc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735912722 599323556 /nfs/dbraw/zinc/32/35/56/599323556.db2.gz BQHBAYFCGYBMAM-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735912722 599323558 /nfs/dbraw/zinc/32/35/58/599323558.db2.gz BQHBAYFCGYBMAM-ZDUSSCGKSA-N -1 3 323.400 3.827 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000820554992 599341727 /nfs/dbraw/zinc/34/17/27/599341727.db2.gz DEAFDYBEAUXNFF-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000820554992 599341730 /nfs/dbraw/zinc/34/17/30/599341730.db2.gz DEAFDYBEAUXNFF-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@H]1CCCC[C@H]1OCCSc1ccccc1-c1nnn[n-]1 ZINC000820703270 599344692 /nfs/dbraw/zinc/34/46/92/599344692.db2.gz DMSMMDJUQWKGJJ-GXTWGEPZSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@H]1CCCC[C@H]1OCCSc1ccccc1-c1nn[n-]n1 ZINC000820703270 599344695 /nfs/dbraw/zinc/34/46/95/599344695.db2.gz DMSMMDJUQWKGJJ-GXTWGEPZSA-N -1 3 318.446 3.554 20 0 DHADHM Clc1cccc(SCc2ccccc2)c1-c1nn[n-]n1 ZINC000822585685 599387119 /nfs/dbraw/zinc/38/71/19/599387119.db2.gz KQFAZAMVCDKQGM-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1cccc(SCc2ccccc2)c1-c1nnn[n-]1 ZINC000822585685 599387117 /nfs/dbraw/zinc/38/71/17/599387117.db2.gz KQFAZAMVCDKQGM-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736139434 599394507 /nfs/dbraw/zinc/39/45/07/599394507.db2.gz QOVFDLQGADEVIS-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736139434 599394510 /nfs/dbraw/zinc/39/45/10/599394510.db2.gz QOVFDLQGADEVIS-QMMMGPOBSA-N -1 3 305.794 3.755 20 0 DHADHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccs1 ZINC000736139997 599394517 /nfs/dbraw/zinc/39/45/17/599394517.db2.gz SMZBKKGOVCLCII-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccs1 ZINC000736139997 599394519 /nfs/dbraw/zinc/39/45/19/599394519.db2.gz SMZBKKGOVCLCII-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM c1ccc2c(c1)cccc2CNc1ccc(-c2nn[n-]n2)cc1 ZINC000115662794 599517953 /nfs/dbraw/zinc/51/79/53/599517953.db2.gz MSLWYFRUIRERJV-UHFFFAOYSA-N -1 3 301.353 3.632 20 0 DHADHM CCc1c(C)sc(NC(=O)CCC(C)(C)C)c1-c1nnn[n-]1 ZINC000736672060 599544090 /nfs/dbraw/zinc/54/40/90/599544090.db2.gz XLDVFVDTURABFM-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM CCc1c(C)sc(NC(=O)CCC(C)(C)C)c1-c1nn[n-]n1 ZINC000736672060 599544091 /nfs/dbraw/zinc/54/40/91/599544091.db2.gz XLDVFVDTURABFM-UHFFFAOYSA-N -1 3 321.450 3.564 20 0 DHADHM CC(C)COc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000736448316 599787132 /nfs/dbraw/zinc/78/71/32/599787132.db2.gz KWTKVNJFTPOPLP-SFHVURJKSA-N -1 3 313.397 3.637 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000740075902 600083258 /nfs/dbraw/zinc/08/32/58/600083258.db2.gz RCHCXOUYVMVSGP-UHFFFAOYSA-N -1 3 317.335 3.828 20 0 DHADHM COc1ccc(C2(NCc3ccc(C(=O)[O-])o3)CCCC2)cc1 ZINC000737980376 600284451 /nfs/dbraw/zinc/28/44/51/600284451.db2.gz GNACQMUBTPVPPO-UHFFFAOYSA-N -1 3 315.369 3.546 20 0 DHADHM COc1ccc2ccccc2c1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000324446937 600420542 /nfs/dbraw/zinc/42/05/42/600420542.db2.gz UPCVYLLKARJJHG-LJQANCHMSA-N -1 3 321.376 3.764 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1 ZINC000739509922 600428509 /nfs/dbraw/zinc/42/85/09/600428509.db2.gz VWAITXDNKMFUGV-CVEARBPZSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1 ZINC000739509923 600428613 /nfs/dbraw/zinc/42/86/13/600428613.db2.gz VWAITXDNKMFUGV-HOTGVXAUSA-N -1 3 319.763 3.882 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccc(F)cc1 ZINC000739505113 600428616 /nfs/dbraw/zinc/42/86/16/600428616.db2.gz ATZNYVFBZHTJAR-CVEARBPZSA-N -1 3 319.763 3.882 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1nc2ccccc2s1 ZINC000822741002 607456449 /nfs/dbraw/zinc/45/64/49/607456449.db2.gz PSVVCHDJNHVGGS-FPLPWBNLSA-N -1 3 323.356 3.786 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1nc2ccccc2s1 ZINC000822741002 607456451 /nfs/dbraw/zinc/45/64/51/607456451.db2.gz PSVVCHDJNHVGGS-FPLPWBNLSA-N -1 3 323.356 3.786 20 0 DHADHM CCCCOCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413458 600744272 /nfs/dbraw/zinc/74/42/72/600744272.db2.gz QZRNAUBRYHEIOE-CYBMUJFWSA-N -1 3 320.216 3.525 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc2ccccc21)c1ccccc1F ZINC000833170094 600744698 /nfs/dbraw/zinc/74/46/98/600744698.db2.gz PAJMXQVDKKYCOM-SFHVURJKSA-N -1 3 309.340 3.894 20 0 DHADHM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccoc2C(=O)[O-])C1 ZINC000579483883 600839735 /nfs/dbraw/zinc/83/97/35/600839735.db2.gz CCSSTHBXWIWZKG-NHYWBVRUSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@@H](CSc3ccccc3)C2)o1 ZINC000516575948 600847027 /nfs/dbraw/zinc/84/70/27/600847027.db2.gz IGOKWGDQASAHOJ-CYBMUJFWSA-N -1 3 317.410 3.592 20 0 DHADHM CC[C@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736951762 600907924 /nfs/dbraw/zinc/90/79/24/600907924.db2.gz XOXZBBLUZQZLHU-HNNXBMFYSA-N -1 3 301.411 3.956 20 0 DHADHM C/C(=C/CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000825730123 601049704 /nfs/dbraw/zinc/04/97/04/601049704.db2.gz RICYLETXFGNARN-FLIBITNWSA-N -1 3 313.319 3.701 20 0 DHADHM Cc1cc(CN2CCSC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000832882364 601157514 /nfs/dbraw/zinc/15/75/14/601157514.db2.gz FOUJXMRSMVTKEX-UHFFFAOYSA-N -1 3 309.431 3.538 20 0 DHADHM C/C(=C/CN1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000825734431 601318478 /nfs/dbraw/zinc/31/84/78/601318478.db2.gz IYHZJOSERIGUEI-QPEQYQDCSA-N -1 3 310.397 3.596 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000830369339 601413305 /nfs/dbraw/zinc/41/33/05/601413305.db2.gz NKFFEPZGAKSHMF-OAHLLOKOSA-N -1 3 315.369 3.583 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000828664644 601431229 /nfs/dbraw/zinc/43/12/29/601431229.db2.gz DMNHFPDSCCNJPX-QGZVFWFLSA-N -1 3 318.442 3.852 20 0 DHADHM CSCc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000832770691 601496473 /nfs/dbraw/zinc/49/64/73/601496473.db2.gz AQECJYKOFJTRCT-MRXNPFEDSA-N -1 3 319.401 3.604 20 0 DHADHM CSc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000832774628 601644428 /nfs/dbraw/zinc/64/44/28/601644428.db2.gz UDELSYRTXBIJDP-INIZCTEOSA-N -1 3 301.411 3.632 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1cccn1C ZINC000833032895 601649385 /nfs/dbraw/zinc/64/93/85/601649385.db2.gz QAGADTHTUVAAGU-OAHLLOKOSA-N -1 3 318.442 3.820 20 0 DHADHM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832932260 601903882 /nfs/dbraw/zinc/90/38/82/601903882.db2.gz OVHZYLIDXXMRKT-MRXNPFEDSA-N -1 3 323.314 3.670 20 0 DHADHM CC(C)c1ccc([C@H](CNCc2ccoc2)NC(=O)[O-])cc1 ZINC000738884043 602335195 /nfs/dbraw/zinc/33/51/95/602335195.db2.gz VKFHKTDJWUEFQU-INIZCTEOSA-N -1 3 302.374 3.502 20 0 DHADHM CC(C)(NCc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000824034947 603546025 /nfs/dbraw/zinc/54/60/25/603546025.db2.gz LKCUQGHCWDFVAW-UHFFFAOYSA-N -1 3 319.792 3.850 20 0 DHADHM Cc1ccc(Nc2nc(CNC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000832950311 604443712 /nfs/dbraw/zinc/44/37/12/604443712.db2.gz IYZLSTYKIPTEMJ-UHFFFAOYSA-N -1 3 319.430 3.538 20 0 DHADHM C[C@]1(NCc2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000833569619 604763899 /nfs/dbraw/zinc/76/38/99/604763899.db2.gz KTSSHQOQTYZNFU-IBGZPJMESA-N -1 3 313.372 3.865 20 0 DHADHM C[C@@]1(NCc2ncc(-c3cccs3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569899 604811805 /nfs/dbraw/zinc/81/18/05/604811805.db2.gz QHPNSMOBAAQQKD-MEDUHNTESA-N -1 3 320.414 3.526 20 0 DHADHM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000833460849 605142192 /nfs/dbraw/zinc/14/21/92/605142192.db2.gz LARBMHSBIHNITF-UHFFFAOYSA-N -1 3 305.324 3.688 20 0 DHADHM C[C@@]1(NCc2ncc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833570417 605243392 /nfs/dbraw/zinc/24/33/92/605243392.db2.gz SPPOWLKCQVXZFA-QMTHXVAHSA-N -1 3 317.216 3.512 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833672889 605270130 /nfs/dbraw/zinc/27/01/30/605270130.db2.gz GHQVDNXLSHXFIV-BZNIZROVSA-N -1 3 318.804 3.774 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000833412873 605384679 /nfs/dbraw/zinc/38/46/79/605384679.db2.gz DIHOQHQSHUAMRV-HNNXBMFYSA-N -1 3 318.804 3.677 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165698566 605552110 /nfs/dbraw/zinc/55/21/10/605552110.db2.gz YOYMUGLFNZMHLP-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000834157589 605807841 /nfs/dbraw/zinc/80/78/41/605807841.db2.gz HPYXHPQVABSIBM-RCCFBDPRSA-N -1 3 323.396 3.576 20 0 DHADHM CC(C)C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000820055885 606102440 /nfs/dbraw/zinc/10/24/40/606102440.db2.gz LDZWEKLRKNUJAM-GFCCVEGCSA-N -1 3 314.418 3.523 20 0 DHADHM CC(C)C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000820055885 606102441 /nfs/dbraw/zinc/10/24/41/606102441.db2.gz LDZWEKLRKNUJAM-GFCCVEGCSA-N -1 3 314.418 3.523 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000819709778 606301864 /nfs/dbraw/zinc/30/18/64/606301864.db2.gz OURFEMOGDKAJBA-AATRIKPKSA-N -1 3 311.395 3.708 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000819709778 606301865 /nfs/dbraw/zinc/30/18/65/606301865.db2.gz OURFEMOGDKAJBA-AATRIKPKSA-N -1 3 311.395 3.708 20 0 DHADHM c1cnc2c(c1)cccc2CSc1cccc(-c2nnn[n-]2)c1 ZINC000823762056 606327673 /nfs/dbraw/zinc/32/76/73/606327673.db2.gz GVJVJFYIKKXOJF-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1cnc2c(c1)cccc2CSc1cccc(-c2nn[n-]n2)c1 ZINC000823762056 606327675 /nfs/dbraw/zinc/32/76/75/606327675.db2.gz GVJVJFYIKKXOJF-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820556427 606328359 /nfs/dbraw/zinc/32/83/59/606328359.db2.gz TVOHDVJNQPJAIF-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820556427 606328362 /nfs/dbraw/zinc/32/83/62/606328362.db2.gz TVOHDVJNQPJAIF-VIFPVBQESA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000820556423 606328466 /nfs/dbraw/zinc/32/84/66/606328466.db2.gz TVOHDVJNQPJAIF-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000820556423 606328468 /nfs/dbraw/zinc/32/84/68/606328468.db2.gz TVOHDVJNQPJAIF-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1ccccc1-c1nnn[n-]1)CC2 ZINC000822786732 606330180 /nfs/dbraw/zinc/33/01/80/606330180.db2.gz NWSUGHYSJQVEQS-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM Fc1ccc2c(c1)[C@H](Sc1ccccc1-c1nn[n-]n1)CC2 ZINC000822786732 606330182 /nfs/dbraw/zinc/33/01/82/606330182.db2.gz NWSUGHYSJQVEQS-OAHLLOKOSA-N -1 3 312.373 3.785 20 0 DHADHM Cc1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822191161 606450788 /nfs/dbraw/zinc/45/07/88/606450788.db2.gz GRWHHHWLRNAWGW-SECBINFHSA-N -1 3 317.393 3.857 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000822351948 606458788 /nfs/dbraw/zinc/45/87/88/606458788.db2.gz RVMLATYWNHOOTJ-MRXNPFEDSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccccc1[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000822351948 606458789 /nfs/dbraw/zinc/45/87/89/606458789.db2.gz RVMLATYWNHOOTJ-MRXNPFEDSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1ccccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1F ZINC000822350544 606459082 /nfs/dbraw/zinc/45/90/82/606459082.db2.gz DPRHHKQVZFTEGC-INIZCTEOSA-N -1 3 323.375 3.656 20 0 DHADHM Cc1cccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C)c1 ZINC000822288747 606643619 /nfs/dbraw/zinc/64/36/19/606643619.db2.gz IIUFNNWNHPZACL-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C)c1 ZINC000822288747 606643620 /nfs/dbraw/zinc/64/36/20/606643620.db2.gz IIUFNNWNHPZACL-INIZCTEOSA-N -1 3 322.416 3.769 20 0 DHADHM CSc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821976383 606801128 /nfs/dbraw/zinc/80/11/28/606801128.db2.gz ANAXIZPLIQGNAP-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM Fc1ccc(CNc2cccc(C(F)F)c2)cc1-c1nn[n-]n1 ZINC000822771674 606930229 /nfs/dbraw/zinc/93/02/29/606930229.db2.gz JSQURPKDHMEUGX-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM Fc1ccc(CNc2cccc(C(F)F)c2)cc1-c1nnn[n-]1 ZINC000822771674 606930227 /nfs/dbraw/zinc/93/02/27/606930227.db2.gz JSQURPKDHMEUGX-UHFFFAOYSA-N -1 3 319.290 3.556 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000820882138 607243522 /nfs/dbraw/zinc/24/35/22/607243522.db2.gz KQOVCEGTUAVETL-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000820882138 607243523 /nfs/dbraw/zinc/24/35/23/607243523.db2.gz KQOVCEGTUAVETL-SNVBAGLBSA-N -1 3 321.812 3.531 20 0 DHADHM Clc1oc2ccccc2c1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000826354836 608048096 /nfs/dbraw/zinc/04/80/96/608048096.db2.gz XGIYBLNLNFAEMD-FPLPWBNLSA-N -1 3 323.743 3.832 20 0 DHADHM Clc1oc2ccccc2c1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000826354836 608048097 /nfs/dbraw/zinc/04/80/97/608048097.db2.gz XGIYBLNLNFAEMD-FPLPWBNLSA-N -1 3 323.743 3.832 20 0 DHADHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccs1 ZINC000824662248 608221235 /nfs/dbraw/zinc/22/12/35/608221235.db2.gz GOIVSMKCEXZLIA-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccs1 ZINC000824662248 608221237 /nfs/dbraw/zinc/22/12/37/608221237.db2.gz GOIVSMKCEXZLIA-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM CC(C)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824352551 608478776 /nfs/dbraw/zinc/47/87/76/608478776.db2.gz IDVSRHXCDVXEGD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824352551 608478778 /nfs/dbraw/zinc/47/87/78/608478778.db2.gz IDVSRHXCDVXEGD-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825717193 609253244 /nfs/dbraw/zinc/25/32/44/609253244.db2.gz IVWDKXSVKMLTLQ-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825717193 609253245 /nfs/dbraw/zinc/25/32/45/609253245.db2.gz IVWDKXSVKMLTLQ-CYBMUJFWSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1cc(F)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826268924 609267743 /nfs/dbraw/zinc/26/77/43/609267743.db2.gz SZPIUSNRKZIUSW-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM Cc1cc(F)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268924 609267744 /nfs/dbraw/zinc/26/77/44/609267744.db2.gz SZPIUSNRKZIUSW-KRWDZBQOSA-N -1 3 323.375 3.804 20 0 DHADHM c1ccc([C@@H](CC2CCC2)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000826520969 609321915 /nfs/dbraw/zinc/32/19/15/609321915.db2.gz WKFVBFMDWPMPIN-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@@H](CC2CCC2)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000826520969 609321916 /nfs/dbraw/zinc/32/19/16/609321916.db2.gz WKFVBFMDWPMPIN-MRXNPFEDSA-N -1 3 320.400 3.605 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826291338 609348428 /nfs/dbraw/zinc/34/84/28/609348428.db2.gz ATWCBQMCUINWJG-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826291338 609348429 /nfs/dbraw/zinc/34/84/29/609348429.db2.gz ATWCBQMCUINWJG-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826284922 609350456 /nfs/dbraw/zinc/35/04/56/609350456.db2.gz KFPRWDDJZGWLDP-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826284922 609350458 /nfs/dbraw/zinc/35/04/58/609350458.db2.gz KFPRWDDJZGWLDP-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2ccc(C(F)F)cc2)Cc2ccccc21 ZINC000321972607 970831093 /nfs/dbraw/zinc/83/10/93/970831093.db2.gz RVVASIGKYSZDBS-MRXNPFEDSA-N -1 3 317.335 3.808 20 0 DHADHM C/C(=C\c1ccccc1)CNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001573364675 947724340 /nfs/dbraw/zinc/72/43/40/947724340.db2.gz IMHRGOINEDEOQZ-RIYZIHGNSA-N -1 3 305.385 3.691 20 0 DHADHM C/C(=C\c1ccccc1)CNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001573364675 947724348 /nfs/dbraw/zinc/72/43/48/947724348.db2.gz IMHRGOINEDEOQZ-RIYZIHGNSA-N -1 3 305.385 3.691 20 0 DHADHM O=C([O-])c1ccc(CN2CCC(OCC3CCCC3)CC2)s1 ZINC001595227496 949316323 /nfs/dbraw/zinc/31/63/23/949316323.db2.gz PKGVKCMWYBDMGW-UHFFFAOYSA-N -1 3 323.458 3.618 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1CCc1cccc(Cl)c1Cl ZINC001589308525 953775017 /nfs/dbraw/zinc/77/50/17/953775017.db2.gz UXLVDQLGOSSGQN-CMPLNLGQSA-N -1 3 316.228 3.721 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2cc(F)c(F)c(F)c2)c2ccccc21 ZINC001594899133 954603570 /nfs/dbraw/zinc/60/35/70/954603570.db2.gz AQQIJFZBPYSLOV-SWLSCSKDSA-N -1 3 321.298 3.507 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCCC1 ZINC001211846324 1013156607 /nfs/dbraw/zinc/15/66/07/1013156607.db2.gz SAFSVPGAQNTIQQ-GFCCVEGCSA-N -1 3 319.829 3.726 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC001594397050 958778077 /nfs/dbraw/zinc/77/80/77/958778077.db2.gz DVJVPAYUWHWNJM-GOSISDBHSA-N -1 3 313.397 3.698 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(C(C)C)nc2C)C(=O)[O-])c1 ZINC001594397621 958783944 /nfs/dbraw/zinc/78/39/44/958783944.db2.gz KWLVOAVDAJIJQU-SFHVURJKSA-N -1 3 312.413 3.737 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])c1 ZINC001594398217 958796079 /nfs/dbraw/zinc/79/60/79/958796079.db2.gz UJSYNGDKGVTOGU-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1cccc(Cl)c1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594403588 958873004 /nfs/dbraw/zinc/87/30/04/958873004.db2.gz JFMILMOBKRSLIQ-KRWDZBQOSA-N -1 3 303.789 3.738 20 0 DHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(CCc2c(Cl)cccc2Cl)C1 ZINC001573700160 959823619 /nfs/dbraw/zinc/82/36/19/959823619.db2.gz YXJIZOHSLLBFKZ-WDEREUQCSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229299965 960073556 /nfs/dbraw/zinc/07/35/56/960073556.db2.gz SOXQKXIVKFMSDG-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM CC(C)Cc1coc([N-]C(=O)c2scnc2C(F)F)n1 ZINC000894433670 1013361685 /nfs/dbraw/zinc/36/16/85/1013361685.db2.gz XOUHPGGBCSUNEV-UHFFFAOYSA-N -1 3 301.318 3.520 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000314479329 963759218 /nfs/dbraw/zinc/75/92/18/963759218.db2.gz KDBZHXRCWFJSJT-NSHDSACASA-N -1 3 321.364 3.918 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000155404358 1013448785 /nfs/dbraw/zinc/44/87/85/1013448785.db2.gz RKGPGRQWBCBUNV-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000155404358 1013448797 /nfs/dbraw/zinc/44/87/97/1013448797.db2.gz RKGPGRQWBCBUNV-LLVKDONJSA-N -1 3 305.161 3.573 20 0 DHADHM C[C@H](CCN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000315264775 963871643 /nfs/dbraw/zinc/87/16/43/963871643.db2.gz CTFYCPGAXGXCIS-VXGBXAGGSA-N -1 3 304.415 3.686 20 0 DHADHM C[C@@H](CCc1ccccc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315350140 963887663 /nfs/dbraw/zinc/88/76/63/963887663.db2.gz PISGFFZSCLFHBX-RYUDHWBXSA-N -1 3 304.415 3.513 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(-c2cscn2)c1 ZINC000340330838 1013497614 /nfs/dbraw/zinc/49/76/14/1013497614.db2.gz RDXWJKQVZOCHGC-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2nc(C)c(C)s2)s1 ZINC000683534063 1013592984 /nfs/dbraw/zinc/59/29/84/1013592984.db2.gz GXQDVYBSRTULRJ-UHFFFAOYSA-N -1 3 310.448 3.596 20 0 DHADHM [O-]c1ccc(Cl)cc1CNCc1cc(-c2ccccc2)on1 ZINC000238070720 1013670604 /nfs/dbraw/zinc/67/06/04/1013670604.db2.gz YJQVBLPQXGCZLA-UHFFFAOYSA-N -1 3 314.772 3.990 20 0 DHADHM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1 ZINC000006895935 967492833 /nfs/dbraw/zinc/49/28/33/967492833.db2.gz LFUGUQUBGVYNTL-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000112588413 1013750233 /nfs/dbraw/zinc/75/02/33/1013750233.db2.gz ZSXGAMXLMHDZRV-GOSISDBHSA-N -1 3 313.397 3.870 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(C3CC3)s2)c1F ZINC000535486182 1013777882 /nfs/dbraw/zinc/77/78/82/1013777882.db2.gz IWHRGNFIRUYPEV-UHFFFAOYSA-N -1 3 324.352 3.950 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2csc(C3CC3)n2)c1F ZINC000340449550 1013807271 /nfs/dbraw/zinc/80/72/71/1013807271.db2.gz LRUFJOGTGFFXFX-UHFFFAOYSA-N -1 3 324.352 3.950 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1[O-] ZINC000331332212 1013872647 /nfs/dbraw/zinc/87/26/47/1013872647.db2.gz HXLVOGZUGCPSNW-DYVFJYSZSA-N -1 3 323.392 3.613 20 0 DHADHM CCc1ccc(-c2nc(C3(c4ccncc4)CCC3)no2)c([O-])c1 ZINC000656034798 1013940110 /nfs/dbraw/zinc/94/01/10/1013940110.db2.gz MTHLFYIXXAAQQD-UHFFFAOYSA-N -1 3 321.380 3.870 20 0 DHADHM O=C([O-])CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000317107068 970327974 /nfs/dbraw/zinc/32/79/74/970327974.db2.gz BOOZTZYCZZSOMI-UHFFFAOYSA-N -1 3 318.804 3.575 20 0 DHADHM CC(C)CCc1nc(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)cs1 ZINC000580085284 1014021048 /nfs/dbraw/zinc/02/10/48/1014021048.db2.gz QPJFIQHSXKAZGQ-KRWDZBQOSA-N -1 3 324.490 3.664 20 0 DHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCc1c(Cl)cccc1Cl ZINC001603391629 973015288 /nfs/dbraw/zinc/01/52/88/973015288.db2.gz NBUBKFAYEWIKTE-QWRGUYRKSA-N -1 3 316.228 3.721 20 0 DHADHM COc1ccc(C)cc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417590493 973963802 /nfs/dbraw/zinc/96/38/02/973963802.db2.gz BSLSXAMEOIFCEX-KRWDZBQOSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1cc(C)cc(C2=CCN(Cc3ccoc3C(=O)[O-])CC2)c1 ZINC000521257253 974343665 /nfs/dbraw/zinc/34/36/65/974343665.db2.gz GVNXGCHMDJCCHH-UHFFFAOYSA-N -1 3 311.381 3.884 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccsc1C(=O)[O-] ZINC000379994155 1014202677 /nfs/dbraw/zinc/20/26/77/1014202677.db2.gz NGZSFFUFBBBJTQ-VIFPVBQESA-N -1 3 307.337 3.609 20 0 DHADHM COc1cccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])c1 ZINC000563279182 974524282 /nfs/dbraw/zinc/52/42/82/974524282.db2.gz YLJKBFUEEUOZCP-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(C)C ZINC000564804572 974554159 /nfs/dbraw/zinc/55/41/59/974554159.db2.gz YQFPAEDNGIRQCX-CVEARBPZSA-N -1 3 323.433 3.702 20 0 DHADHM CC[C@H]1CCCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000565102010 974568932 /nfs/dbraw/zinc/56/89/32/974568932.db2.gz BWFDBTOCZSTQQJ-ZDUSSCGKSA-N -1 3 311.809 3.682 20 0 DHADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1c[nH]c2ccccc12 ZINC000569010426 974683008 /nfs/dbraw/zinc/68/30/08/974683008.db2.gz LHHBEXDOEDIZBR-UHFFFAOYSA-N -1 3 312.369 3.790 20 0 DHADHM COc1cccc([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)c1 ZINC000576353124 974813621 /nfs/dbraw/zinc/81/36/21/974813621.db2.gz REKAKGJYSXHSHU-HNNXBMFYSA-N -1 3 317.410 3.792 20 0 DHADHM CCCC[C@H](C(=O)[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634692636 975273559 /nfs/dbraw/zinc/27/35/59/975273559.db2.gz FSLSVAIJSRPSIM-CQSZACIVSA-N -1 3 315.335 3.707 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)o1 ZINC000255642741 1014257950 /nfs/dbraw/zinc/25/79/50/1014257950.db2.gz UJAHYMQTNRGAHW-BRARBMGZSA-N -1 3 301.317 3.900 20 0 DHADHM Cc1ccc(C(C)(C)c2noc(-c3ccc(C)cc3[O-])n2)nc1 ZINC000665082329 1014269899 /nfs/dbraw/zinc/26/98/99/1014269899.db2.gz QCOAIVZPULBVOZ-UHFFFAOYSA-N -1 3 309.369 3.780 20 0 DHADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652366933 975516746 /nfs/dbraw/zinc/51/67/46/975516746.db2.gz ZTPMGZUKZKTFRZ-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1 ZINC000190013293 1014266023 /nfs/dbraw/zinc/26/60/23/1014266023.db2.gz OPYGFJVBDNAHTL-OAHLLOKOSA-N -1 3 316.426 3.697 20 0 DHADHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000652460296 975541513 /nfs/dbraw/zinc/54/15/13/975541513.db2.gz DDEUSILVHGAGMB-UHFFFAOYSA-N -1 3 324.471 3.804 20 0 DHADHM O=C(Cc1cccs1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129997387 1014319905 /nfs/dbraw/zinc/31/99/05/1014319905.db2.gz JIMHDDXGSFJJJQ-UHFFFAOYSA-N -1 3 301.289 3.654 20 0 DHADHM CC(C)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)c(C(C)C)c1 ZINC001591954485 976525711 /nfs/dbraw/zinc/52/57/11/976525711.db2.gz XIXTZSSDXXYDKC-GOSISDBHSA-N -1 3 307.409 3.932 20 0 DHADHM Cc1ccc2c(c1)nc(CNCc1cccc(Cl)c1[O-])n2C ZINC000187577271 1014382175 /nfs/dbraw/zinc/38/21/75/1014382175.db2.gz IYVNVYKRXPDMAS-UHFFFAOYSA-N -1 3 315.804 3.531 20 0 DHADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC000711490528 977551143 /nfs/dbraw/zinc/55/11/43/977551143.db2.gz GODGBVANZFDHAJ-JTQLQIEISA-N -1 3 307.337 3.609 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000711638251 977560024 /nfs/dbraw/zinc/56/00/24/977560024.db2.gz AHFMOKOTEFMKIX-HIFRSBDPSA-N -1 3 314.212 3.823 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(N3CCCCC3)nc2)c1 ZINC000317466780 1014421434 /nfs/dbraw/zinc/42/14/34/1014421434.db2.gz BLDWGMOEQVHRHH-UHFFFAOYSA-N -1 3 301.365 3.529 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1ccccc1CF)c1cccc(F)c1 ZINC001592327740 977741756 /nfs/dbraw/zinc/74/17/56/977741756.db2.gz DMHHZPFFKZNAOL-SFHVURJKSA-N -1 3 319.351 3.775 20 0 DHADHM O=C([O-])[C@H](NCc1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000756348913 978698581 /nfs/dbraw/zinc/69/85/81/978698581.db2.gz MHSTTZYEIKUWQP-GFCCVEGCSA-N -1 3 315.316 3.682 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc3[nH]ccc32)c1 ZINC000427971211 1014559596 /nfs/dbraw/zinc/55/95/96/1014559596.db2.gz JSPGIIYOAOEMQJ-UHFFFAOYSA-N -1 3 308.381 3.708 20 0 DHADHM CC(C)(CNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000840997257 979298952 /nfs/dbraw/zinc/29/89/52/979298952.db2.gz VIYOXYKNIQRVMD-UHFFFAOYSA-N -1 3 324.833 3.664 20 0 DHADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000859803567 979635790 /nfs/dbraw/zinc/63/57/90/979635790.db2.gz DRTDQQYXPNXUQU-KRWDZBQOSA-N -1 3 317.385 3.878 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872166053 980061067 /nfs/dbraw/zinc/06/10/67/980061067.db2.gz BFPFBLVXTPWKMU-ZANVPECISA-N -1 3 305.296 3.622 20 0 DHADHM Cc1cc([C@H](C)N2CC[C@@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872166052 980061128 /nfs/dbraw/zinc/06/11/28/980061128.db2.gz BFPFBLVXTPWKMU-TVQRCGJNSA-N -1 3 305.296 3.622 20 0 DHADHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000931318223 1032098468 /nfs/dbraw/zinc/09/84/68/1032098468.db2.gz LFXIFWVELFADHY-SECBINFHSA-N -1 3 323.318 3.586 20 0 DHADHM CC[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC001595276848 980302827 /nfs/dbraw/zinc/30/28/27/980302827.db2.gz MNPMECVPYOHKSV-LSDHHAIUSA-N -1 3 304.777 3.602 20 0 DHADHM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1OC ZINC001595277036 980304371 /nfs/dbraw/zinc/30/43/71/980304371.db2.gz OXLHWVHKKPMQGX-WBVHZDCISA-N -1 3 317.360 3.701 20 0 DHADHM CC[C@H](N[C@H](CC(C)C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001595281594 980335922 /nfs/dbraw/zinc/33/59/22/980335922.db2.gz RKHAIVYHTRYNFS-DTWKUNHWSA-N -1 3 324.368 3.702 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CC[C@H](C)c3ccccc3)n[n-]2)o1 ZINC000442272051 1014653304 /nfs/dbraw/zinc/65/33/04/1014653304.db2.gz SHZSSGKVUQAQHY-LBPRGKRZSA-N -1 3 324.384 3.896 20 0 DHADHM CC[C@@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901629143 980412481 /nfs/dbraw/zinc/41/24/81/980412481.db2.gz XCKSFILZZQMWSO-KXBFYZLASA-N -1 3 309.409 3.864 20 0 DHADHM CC[C@](NCc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC001595300388 980434277 /nfs/dbraw/zinc/43/42/77/980434277.db2.gz PNRDQCUZLSGAGZ-QGZVFWFLSA-N -1 3 321.779 3.959 20 0 DHADHM CC[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595304252 980438415 /nfs/dbraw/zinc/43/84/15/980438415.db2.gz BYPPRQZREZFKTM-CQSZACIVSA-N -1 3 305.399 3.696 20 0 DHADHM CC[C@@H](NCc1ccsc1C(=O)[O-])c1ccccc1OC ZINC001595305818 980451825 /nfs/dbraw/zinc/45/18/25/980451825.db2.gz XTAVFCGMOFVHPC-CYBMUJFWSA-N -1 3 305.399 3.696 20 0 DHADHM CC[C@@](NCc1cnccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901873590 980588011 /nfs/dbraw/zinc/58/80/11/980588011.db2.gz SNKHTIMJZPAOSI-KRWDZBQOSA-N -1 3 318.804 3.523 20 0 DHADHM Cc1nc(CN[C@H](CCC(=O)[O-])CC2CCCCC2)cs1 ZINC000901904098 980617781 /nfs/dbraw/zinc/61/77/81/980617781.db2.gz NPHQYWIRZRSBCH-CQSZACIVSA-N -1 3 310.463 3.745 20 0 DHADHM CC[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000901911447 980623959 /nfs/dbraw/zinc/62/39/59/980623959.db2.gz LBLLYZTTWMNXMD-NWDGAFQWSA-N -1 3 304.415 3.686 20 0 DHADHM C[C@@H](NC1CC(c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901913151 980625148 /nfs/dbraw/zinc/62/51/48/980625148.db2.gz WTUWJJLTQNKJRZ-CBZQXFMTSA-N -1 3 320.389 3.577 20 0 DHADHM Cc1cc(C)c(/C=C/CN2CCSC[C@H]2CC(=O)[O-])c(C)c1 ZINC000901981820 980660970 /nfs/dbraw/zinc/66/09/70/980660970.db2.gz JAQWANGOUUUBRX-DWTRPJMMSA-N -1 3 319.470 3.517 20 0 DHADHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(F)CC2)o1 ZINC000902124029 980746488 /nfs/dbraw/zinc/74/64/88/980746488.db2.gz BANNWKXGAWUDMI-UHFFFAOYSA-N -1 3 303.333 3.579 20 0 DHADHM CCc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000902130478 980749231 /nfs/dbraw/zinc/74/92/31/980749231.db2.gz GABKZHGSWXJPKB-UHFFFAOYSA-N -1 3 309.818 3.952 20 0 DHADHM O=C([O-])c1cc(CN[C@H]2CCc3c2cccc3Cl)cs1 ZINC000902173341 980767513 /nfs/dbraw/zinc/76/75/13/980767513.db2.gz HPOKIZODHFALFE-ZDUSSCGKSA-N -1 3 307.802 3.877 20 0 DHADHM Cc1cc(CNCC2(Sc3ccccc3)CC2)oc1C(=O)[O-] ZINC000902251537 980798785 /nfs/dbraw/zinc/79/87/85/980798785.db2.gz XOOJYYKQPJZJCZ-UHFFFAOYSA-N -1 3 317.410 3.701 20 0 DHADHM O=C([O-])c1csc(CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000902365195 980855059 /nfs/dbraw/zinc/85/50/59/980855059.db2.gz VYYXVEZWVPZLIW-UHFFFAOYSA-N -1 3 307.802 3.879 20 0 DHADHM CCC(CC)(CNCc1ccc(/C=C/C(=O)[O-])o1)C(F)(F)F ZINC000902493875 980909192 /nfs/dbraw/zinc/90/91/92/980909192.db2.gz DRQPYGNTWWTFOR-BQYQJAHWSA-N -1 3 319.323 3.836 20 0 DHADHM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC000902566003 980935764 /nfs/dbraw/zinc/93/57/64/980935764.db2.gz RULAVKWNSGIWSQ-GOSISDBHSA-N -1 3 323.396 3.533 20 0 DHADHM CC[C@@H](C)[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000903601077 980983171 /nfs/dbraw/zinc/98/31/71/980983171.db2.gz FDHHQTBRGDQMOQ-YMTOWFKASA-N -1 3 316.228 3.851 20 0 DHADHM O=C([O-])c1ccoc1CN1CCCSC[C@H]1c1ccccc1 ZINC000903621113 980997584 /nfs/dbraw/zinc/99/75/84/980997584.db2.gz POXFLVWGDQJYER-HNNXBMFYSA-N -1 3 317.410 3.658 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(Oc2ccccc2F)CC1 ZINC000442568755 1014698681 /nfs/dbraw/zinc/69/86/81/1014698681.db2.gz PCCPIPUKZLIBGL-UHFFFAOYSA-N -1 3 321.735 3.735 20 0 DHADHM O=C([O-])c1ccc(-c2nc(CN3CCCC34CCC4)co2)cc1 ZINC000903630314 981006010 /nfs/dbraw/zinc/00/60/10/981006010.db2.gz BLERUIBZXQSFQH-UHFFFAOYSA-N -1 3 312.369 3.558 20 0 DHADHM O=C([O-])CCC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904250901 981083941 /nfs/dbraw/zinc/08/39/41/981083941.db2.gz BFJMFPZKDQBHBZ-UHFFFAOYSA-N -1 3 315.335 3.840 20 0 DHADHM COc1ccc(C(C)C)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000905372851 981096747 /nfs/dbraw/zinc/09/67/47/981096747.db2.gz MNQPJEGMANMDIU-GOSISDBHSA-N -1 3 313.397 3.734 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(C(=O)[O-])cn2)C(C)(C)C)c1 ZINC000905725940 981123420 /nfs/dbraw/zinc/12/34/20/981123420.db2.gz AESRTWUPAHZTTO-KRWDZBQOSA-N -1 3 312.413 3.965 20 0 DHADHM CC(C)[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCS1 ZINC001118320508 982953077 /nfs/dbraw/zinc/95/30/77/982953077.db2.gz XFZBREYUOXJXIS-UONOGXRCSA-N -1 3 313.850 3.539 20 0 DHADHM CCN(CCSC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596347154 983797124 /nfs/dbraw/zinc/79/71/24/983797124.db2.gz FJIHFEOTYPNQOE-GFCCVEGCSA-N -1 3 322.257 3.804 20 0 DHADHM CCN(CCSC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001596347881 983800797 /nfs/dbraw/zinc/80/07/97/983800797.db2.gz SMQJEDQAQCSYEC-GFCCVEGCSA-N -1 3 322.257 3.804 20 0 DHADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc([O-])c1F ZINC000129541302 1015025629 /nfs/dbraw/zinc/02/56/29/1015025629.db2.gz MBAMCILEOIWEAZ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC(C)(C)C(F)(F)F)c1[O-] ZINC000581609882 1015049154 /nfs/dbraw/zinc/04/91/54/1015049154.db2.gz SNDJTDVQOXZZDX-UHFFFAOYSA-N -1 3 303.280 3.512 20 0 DHADHM S=c1nccc(O[C@H]2CCc3c2cccc3Br)[n-]1 ZINC001226940485 1015051753 /nfs/dbraw/zinc/05/17/53/1015051753.db2.gz STFWVHHUQPJKDS-NSHDSACASA-N -1 3 323.215 3.594 20 0 DHADHM C[C@H]1CC[C@@](NCc2nc(Cl)ccc2Cl)(C(=O)[O-])CC1 ZINC001599909770 984969859 /nfs/dbraw/zinc/96/98/59/984969859.db2.gz WDCUROQQTNHWJT-KMHCFJFGSA-N -1 3 317.216 3.512 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029046172 1015100755 /nfs/dbraw/zinc/10/07/55/1015100755.db2.gz OZYJONFODPPSBB-UHFFFAOYSA-N -1 3 319.426 3.831 20 0 DHADHM CC[C@H](C)N(CC)Cc1c(Br)cccc1C(=O)[O-] ZINC000656756037 1015129148 /nfs/dbraw/zinc/12/91/48/1015129148.db2.gz HBDRCVIRIBSFGL-JTQLQIEISA-N -1 3 314.223 3.768 20 0 DHADHM CCCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656763794 1015136585 /nfs/dbraw/zinc/13/65/85/1015136585.db2.gz IBYGNNDFHIAYPS-KKUMJFAQSA-N -1 3 322.474 3.561 20 0 DHADHM Cc1[nH]c(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1C(=O)[O-] ZINC001599961833 985796194 /nfs/dbraw/zinc/79/61/94/985796194.db2.gz JORMKQCASVAUAS-OXJNMPFZSA-N -1 3 324.424 3.923 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ncccc1Oc1ccccc1 ZINC000581705314 1015248383 /nfs/dbraw/zinc/24/83/83/1015248383.db2.gz MNXLOMRUEGCZSA-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCOc1cccc(F)c1CNC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001597159195 986959089 /nfs/dbraw/zinc/95/90/89/986959089.db2.gz CDKHRFOVNUFCQV-CQSZACIVSA-N -1 3 323.408 3.595 20 0 DHADHM CCc1[nH]c(CN2C[C@@H](C)C[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383372 987582252 /nfs/dbraw/zinc/58/22/52/987582252.db2.gz DUNWFHVIEHLBOC-UGSOOPFHSA-N -1 3 312.413 3.858 20 0 DHADHM CCc1[nH]c(CN(Cc2ccccc2C)C2CC2)cc1C(=O)[O-] ZINC001597385486 987595595 /nfs/dbraw/zinc/59/55/95/987595595.db2.gz UCSYHGFOYXZINS-UHFFFAOYSA-N -1 3 312.413 3.748 20 0 DHADHM CC(C)(C)C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1(C)C ZINC001589764294 988100003 /nfs/dbraw/zinc/10/00/03/988100003.db2.gz FOBQVLDFDWGKPL-LLVKDONJSA-N -1 3 310.463 3.878 20 0 DHADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000443737873 1015364050 /nfs/dbraw/zinc/36/40/50/1015364050.db2.gz IUTHBZPAADFMSI-SECBINFHSA-N -1 3 310.246 3.706 20 0 DHADHM CCc1cnccc1[C@@H](C)N[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001597637107 988621178 /nfs/dbraw/zinc/62/11/78/988621178.db2.gz WJAIIOOWIUPALF-MNOVXSKESA-N -1 3 304.415 3.816 20 0 DHADHM CCc1cnccc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597637000 988621398 /nfs/dbraw/zinc/62/13/98/988621398.db2.gz TXGNBPDYJGHWOM-ZBEGNZNMSA-N -1 3 318.804 3.774 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC(F)(F)F)C(C)C ZINC001597767409 989220712 /nfs/dbraw/zinc/22/07/12/989220712.db2.gz MDFDAZWCHQZSDD-JTQLQIEISA-N -1 3 307.312 3.607 20 0 DHADHM CCc1oc2ccccc2c1CN(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001597808005 989422624 /nfs/dbraw/zinc/42/26/24/989422624.db2.gz PSDNBJQEVVZFLV-UHFFFAOYSA-N -1 3 312.369 3.654 20 0 DHADHM [O-]c1cccc(CN2CCC(Nc3ccccn3)CC2)c1Cl ZINC000896193439 1015494264 /nfs/dbraw/zinc/49/42/64/1015494264.db2.gz CBDFGCJFPOSQCM-UHFFFAOYSA-N -1 3 317.820 3.517 20 0 DHADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OCC(F)F ZINC000759331283 1015550083 /nfs/dbraw/zinc/55/00/83/1015550083.db2.gz OBEHJIXXQBHAKA-UHFFFAOYSA-N -1 3 318.172 3.691 20 0 DHADHM CC(C)(CN[C@H](C(=O)[O-])c1ccccc1Cl)C(F)(F)F ZINC001590758632 990562107 /nfs/dbraw/zinc/56/21/07/990562107.db2.gz LXWXKAJEKBJCBE-JTQLQIEISA-N -1 3 309.715 3.644 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCCS1 ZINC000341614261 1015594523 /nfs/dbraw/zinc/59/45/23/1015594523.db2.gz SNWNTWJHHJJZHX-LLVKDONJSA-N -1 3 305.321 3.635 20 0 DHADHM CC(C)[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001591024786 991320221 /nfs/dbraw/zinc/32/02/21/991320221.db2.gz WBFJICVAIKWAOT-IAGOWNOFSA-N -1 3 301.361 3.938 20 0 DHADHM CN(CCc1ccc(Cl)cc1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001598500708 992433251 /nfs/dbraw/zinc/43/32/51/992433251.db2.gz UGRSZGKOQQRDLO-HJWRWDBZSA-N -1 3 319.788 3.705 20 0 DHADHM C[C@@H]1CCCc2cc(-c3noc(-c4ccccc4[O-])n3)c(=O)[nH]c21 ZINC000896766956 1015735145 /nfs/dbraw/zinc/73/51/45/1015735145.db2.gz BGXVTXTXPQMWOU-SNVBAGLBSA-N -1 3 323.352 3.650 20 0 DHADHM CN(Cc1cncc(C(=O)[O-])c1)Cc1cccc2ccccc21 ZINC001598533184 992811957 /nfs/dbraw/zinc/81/19/57/992811957.db2.gz NFPZJWRVLYAGSE-UHFFFAOYSA-N -1 3 306.365 3.565 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C)c2cncc(C(=O)[O-])c2)cc1C ZINC001599620841 994080884 /nfs/dbraw/zinc/08/08/84/994080884.db2.gz UQTPGXFAHWWVQI-CHWSQXEVSA-N -1 3 314.385 3.509 20 0 DHADHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccnc(Cl)c1 ZINC001593203025 994184528 /nfs/dbraw/zinc/18/45/28/994184528.db2.gz CAWSHDHUZKOZRT-WFASDCNBSA-N -1 3 318.804 3.992 20 0 DHADHM C[C@@H](NC(C1CCCC1)C1CCCC1)c1nc(C(=O)[O-])co1 ZINC001593204752 994207162 /nfs/dbraw/zinc/20/71/62/994207162.db2.gz VVQFETCZEVWIJA-LLVKDONJSA-N -1 3 306.406 3.772 20 0 DHADHM COc1ccc2cc(CN(C)Cc3c[nH]c(C(=O)[O-])c3)ccc2c1 ZINC001599635513 994280853 /nfs/dbraw/zinc/28/08/53/994280853.db2.gz QUMIXAKECVNBEJ-UHFFFAOYSA-N -1 3 324.380 3.507 20 0 DHADHM CC(C)Oc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000277066352 1015862335 /nfs/dbraw/zinc/86/23/35/1015862335.db2.gz UUHSBPHNWFKUQZ-MRXNPFEDSA-N -1 3 319.426 3.841 20 0 DHADHM CC(C)[C@H](CN[C@H](C)c1cc(C(=O)[O-])co1)Nc1ccccc1 ZINC001593246905 994460635 /nfs/dbraw/zinc/46/06/35/994460635.db2.gz PIBQWFLBTJAOMP-CJNGLKHVSA-N -1 3 316.401 3.765 20 0 DHADHM C[C@H](NCCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593259906 994543234 /nfs/dbraw/zinc/54/32/34/994543234.db2.gz BIWBPTCHZXNTLH-LBPRGKRZSA-N -1 3 318.442 3.860 20 0 DHADHM C[C@H](NCC[C@@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593265395 994573213 /nfs/dbraw/zinc/57/32/13/994573213.db2.gz SJEVJXUFPADYCH-AAEUAGOBSA-N -1 3 316.426 3.612 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cscc1C(F)(F)F ZINC000622833575 1015977099 /nfs/dbraw/zinc/97/70/99/1015977099.db2.gz HFFIGGOABAOLCD-UHFFFAOYSA-N -1 3 304.293 3.878 20 0 DHADHM CCc1noc(C)c1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000342111332 1016029782 /nfs/dbraw/zinc/02/97/82/1016029782.db2.gz YVSOTAUDYNMFLO-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM COc1ccc(C(C)(C)NCc2ccsc2C(=O)[O-])cc1F ZINC001599506785 997224109 /nfs/dbraw/zinc/22/41/09/997224109.db2.gz UPTXQRJPEXEWCK-UHFFFAOYSA-N -1 3 323.389 3.619 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@@]3(C)C(C)C)nc2)n1 ZINC000413428491 1016199196 /nfs/dbraw/zinc/19/91/96/1016199196.db2.gz BPTOCKXAEOWEKJ-KSSFIOAISA-N -1 3 312.417 3.653 20 0 DHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000277325353 1016200716 /nfs/dbraw/zinc/20/07/16/1016200716.db2.gz CMDFAPILVWNUKZ-ZIAGYGMSSA-N -1 3 313.850 3.840 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1 ZINC000014224940 1016227776 /nfs/dbraw/zinc/22/77/76/1016227776.db2.gz OPCRANVPNGARCW-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccsc1C(=O)[O-] ZINC001594174227 998668714 /nfs/dbraw/zinc/66/87/14/998668714.db2.gz RETWNQMSUYWFNL-WPRPVWTQSA-N -1 3 307.337 3.609 20 0 DHADHM CC(C)(C)c1nc(CNC[C@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC000277389902 1016270093 /nfs/dbraw/zinc/27/00/93/1016270093.db2.gz RGQRMIYABDASSX-NSHDSACASA-N -1 3 312.479 3.667 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000014254751 1016275413 /nfs/dbraw/zinc/27/54/13/1016275413.db2.gz UGWWEQYIGWAMLP-UHFFFAOYSA-N -1 3 311.353 3.718 20 0 DHADHM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000277447656 1016326628 /nfs/dbraw/zinc/32/66/28/1016326628.db2.gz UYJHBDRJJXXMQH-SFHVURJKSA-N -1 3 313.397 3.563 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC001594411948 999538039 /nfs/dbraw/zinc/53/80/39/999538039.db2.gz CFHIUACBXFNUBN-NDBYEHHHSA-N -1 3 308.447 3.803 20 0 DHADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1cc([O-])ccc1Cl ZINC000346390689 1016385826 /nfs/dbraw/zinc/38/58/26/1016385826.db2.gz CGFUBIYGIZOAML-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1cscc1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622563521 1016458941 /nfs/dbraw/zinc/45/89/41/1016458941.db2.gz IZNCBXMZTVJELI-UHFFFAOYSA-N -1 3 315.316 3.711 20 0 DHADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281362266 1016488286 /nfs/dbraw/zinc/48/82/86/1016488286.db2.gz APOKDCKEYRKMRB-MRXNPFEDSA-N -1 3 311.381 3.519 20 0 DHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000277518964 1016518135 /nfs/dbraw/zinc/51/81/35/1016518135.db2.gz YPIJEXYKOXQYRU-LBPRGKRZSA-N -1 3 324.471 3.851 20 0 DHADHM COCc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000171329099 1016555213 /nfs/dbraw/zinc/55/52/13/1016555213.db2.gz VADKHPNPXPTOHV-UHFFFAOYSA-N -1 3 319.426 3.559 20 0 DHADHM CCCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC001188166045 1037830101 /nfs/dbraw/zinc/83/01/01/1037830101.db2.gz YOBKERWPERPYNA-UHFFFAOYSA-N -1 3 307.868 3.650 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc(F)c2F)c(F)c1 ZINC000347174086 1016772057 /nfs/dbraw/zinc/77/20/57/1016772057.db2.gz QLWOYOLVGYUFCW-UHFFFAOYSA-N -1 3 311.234 3.698 20 0 DHADHM CC[C@](C)(NC(=O)c1cc([O-])ccc1Cl)c1nccs1 ZINC000277625969 1016793131 /nfs/dbraw/zinc/79/31/31/1016793131.db2.gz IYJYXLPONSVVDX-AWEZNQCLSA-N -1 3 310.806 3.557 20 0 DHADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174888867 1016844140 /nfs/dbraw/zinc/84/41/40/1016844140.db2.gz MTJQKGUHIUFSQI-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000174898314 1016844276 /nfs/dbraw/zinc/84/42/76/1016844276.db2.gz RIJOEXALCDEBON-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174879110 1016844488 /nfs/dbraw/zinc/84/44/88/1016844488.db2.gz LCILUWQIAYQWCM-UHFFFAOYSA-N -1 3 318.329 3.809 20 0 DHADHM O=C(NC1(C(F)F)CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623027725 1016847339 /nfs/dbraw/zinc/84/73/39/1016847339.db2.gz VAAARFMAFQODBN-UHFFFAOYSA-N -1 3 323.261 3.719 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Oc2cccnc2)cc1 ZINC000174869393 1016843170 /nfs/dbraw/zinc/84/31/70/1016843170.db2.gz XWSKFFHPAKDAJG-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000623466389 1017059551 /nfs/dbraw/zinc/05/95/51/1017059551.db2.gz HYXPPHFCDLPCGO-UHFFFAOYSA-N -1 3 303.789 3.880 20 0 DHADHM CCC[C@@](C)(CC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000476416048 1032171498 /nfs/dbraw/zinc/17/14/98/1032171498.db2.gz PPZFLKXGFGRJCO-QGZVFWFLSA-N -1 3 317.389 3.504 20 0 DHADHM O=C(OCc1nc(C2CCCC2)no1)c1cc2ccsc2[n-]1 ZINC000751628257 1032207860 /nfs/dbraw/zinc/20/78/60/1032207860.db2.gz NKILGENOXLGYKH-UHFFFAOYSA-N -1 3 317.370 3.627 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)C2CC2)cc1[O-] ZINC001146410670 1032217670 /nfs/dbraw/zinc/21/76/70/1032217670.db2.gz NIKANJGJCWQJCK-IBGZPJMESA-N -1 3 323.392 3.784 20 0 DHADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000117971376 1032232216 /nfs/dbraw/zinc/23/22/16/1032232216.db2.gz KPTJSAQTFFGYHC-NSHDSACASA-N -1 3 317.772 3.941 20 0 DHADHM O=C([N-]c1c(F)cc(F)c(F)c1Br)c1ccco1 ZINC001147097448 1032280250 /nfs/dbraw/zinc/28/02/50/1032280250.db2.gz VVTLMMUHSDBHAV-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cn1 ZINC001147804241 1032343955 /nfs/dbraw/zinc/34/39/55/1032343955.db2.gz FDJCTDFETQGFQH-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM CCO[C@H]1C[C@H](NC(=O)c2ccc(CC)cc2[O-])C1(CC)CC ZINC001148355321 1032391577 /nfs/dbraw/zinc/39/15/77/1032391577.db2.gz QZESBKONJODWQP-IRXDYDNUSA-N -1 3 319.445 3.668 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2cccc3cccc(N)c32)ccc1[O-] ZINC001148664025 1032431573 /nfs/dbraw/zinc/43/15/73/1032431573.db2.gz GYWDOJLLEYUZJI-UHFFFAOYSA-N -1 3 320.348 3.583 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccoc1C(F)(F)F ZINC000348124592 1032467606 /nfs/dbraw/zinc/46/76/06/1032467606.db2.gz MWPLSLCNRLZNQU-UHFFFAOYSA-N -1 3 309.165 3.968 20 0 DHADHM COc1ccc(SCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153540013 1011907342 /nfs/dbraw/zinc/90/73/42/1011907342.db2.gz QWQPAIMHRZGERZ-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM Cc1oc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000579722718 1011973563 /nfs/dbraw/zinc/97/35/63/1011973563.db2.gz PKASCXAPVKKZMW-GOSISDBHSA-N -1 3 311.381 3.938 20 0 DHADHM C[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424417903 1012016942 /nfs/dbraw/zinc/01/69/42/1012016942.db2.gz MINIGCRTCLEZNN-ZANVPECISA-N -1 3 319.298 3.530 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424415268 1012022368 /nfs/dbraw/zinc/02/23/68/1012022368.db2.gz IQWKOMJBMXMMFW-NOZJJQNGSA-N -1 3 319.298 3.530 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)Cc2ccccc2C)c1[O-] ZINC000514838327 1012457430 /nfs/dbraw/zinc/45/74/30/1012457430.db2.gz KFPBOMSXOFJFSX-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM CCc1nc(CCNC(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000436723526 1012767365 /nfs/dbraw/zinc/76/73/65/1012767365.db2.gz LQNMEOHYMMACIG-UHFFFAOYSA-N -1 3 318.442 3.507 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2c(F)cc(C)cc2F)s1 ZINC000666968416 1032679964 /nfs/dbraw/zinc/67/99/64/1032679964.db2.gz KUSLNWQWNXHBGK-UHFFFAOYSA-N -1 3 311.357 3.720 20 0 DHADHM [O-]c1ccccc1-c1nc([C@H]2CCOC3(CCCC3)C2)no1 ZINC000897186689 1017136740 /nfs/dbraw/zinc/13/67/40/1017136740.db2.gz GBUUODFYFGCAAC-LBPRGKRZSA-N -1 3 300.358 3.649 20 0 DHADHM CCO[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])C1=CCCC1 ZINC000339007464 1032684403 /nfs/dbraw/zinc/68/44/03/1032684403.db2.gz RTFGWGBFBDPRCT-OAHLLOKOSA-N -1 3 309.793 3.890 20 0 DHADHM CCO[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])C1=CCCC1 ZINC000339007463 1032684536 /nfs/dbraw/zinc/68/45/36/1032684536.db2.gz RTFGWGBFBDPRCT-HNNXBMFYSA-N -1 3 309.793 3.890 20 0 DHADHM CCC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(C)(C)C ZINC001211897066 1017210944 /nfs/dbraw/zinc/21/09/44/1017210944.db2.gz LVVRJZLYVQKQGO-LBPRGKRZSA-N -1 3 318.870 3.537 20 0 DHADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000277812206 1017215098 /nfs/dbraw/zinc/21/50/98/1017215098.db2.gz WJOZHRAUVBQXMI-ZYHUDNBSSA-N -1 3 313.850 3.840 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCSC[C@@H]1C1CC1 ZINC000456206367 1017221279 /nfs/dbraw/zinc/22/12/79/1017221279.db2.gz QUFHUUBSIHLNEQ-MRXNPFEDSA-N -1 3 313.422 3.513 20 0 DHADHM CC1(C)Cc2ccc(-c3nc(C4CC(F)(F)C4)no3)c([O-])c2O1 ZINC000351123581 1017418813 /nfs/dbraw/zinc/41/88/13/1017418813.db2.gz QKAKBLWLBDRTNL-UHFFFAOYSA-N -1 3 322.311 3.668 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2csc3ccccc23)o1 ZINC000773297210 1032698929 /nfs/dbraw/zinc/69/89/29/1032698929.db2.gz MGZYZMWEWZOKAS-LLVKDONJSA-N -1 3 321.423 3.842 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000180332067 1017421876 /nfs/dbraw/zinc/42/18/76/1017421876.db2.gz SAOHDGMXEGGFAA-CQSZACIVSA-N -1 3 301.411 3.993 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1[O-] ZINC000665867722 1017526617 /nfs/dbraw/zinc/52/66/17/1017526617.db2.gz QLAVJWXEGOTCAW-INIZCTEOSA-N -1 3 315.394 3.537 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2csc(C(C)(C)C)n2)n1 ZINC000874696864 1032707392 /nfs/dbraw/zinc/70/73/92/1032707392.db2.gz QIORFOOZAWJWOP-UHFFFAOYSA-N -1 3 310.448 3.668 20 0 DHADHM CCOc1ccc(F)c([N-]C(=O)c2oc(C3CC3)nc2C)c1F ZINC000353115736 1017557593 /nfs/dbraw/zinc/55/75/93/1017557593.db2.gz LZXPSYWYEUXHCQ-UHFFFAOYSA-N -1 3 322.311 3.790 20 0 DHADHM CC(C)N(CC1CCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000444525471 1017564980 /nfs/dbraw/zinc/56/49/80/1017564980.db2.gz IFSJZSVEBAHVKM-UHFFFAOYSA-N -1 3 307.409 3.891 20 0 DHADHM O=C(Nc1ncccc1[O-])C(c1ccccc1)c1ccccc1 ZINC000194833590 1017577587 /nfs/dbraw/zinc/57/75/87/1017577587.db2.gz MSNXRDZBZLRBBA-UHFFFAOYSA-N -1 3 304.349 3.558 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2F)c(Cl)cc1F ZINC000380245800 1017663605 /nfs/dbraw/zinc/66/36/05/1017663605.db2.gz OOAUHQIYKKHAJZ-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM COc1cccc(-c2nc(-c3c[nH]c4ccccc43)no2)c1[O-] ZINC000445446940 1017858488 /nfs/dbraw/zinc/85/84/88/1017858488.db2.gz QJYASEKGPRSPPK-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1noc2c1CCCCC2 ZINC000121659543 1017913820 /nfs/dbraw/zinc/91/38/20/1017913820.db2.gz BMXACBWKRAXCQN-UHFFFAOYSA-N -1 3 323.352 3.851 20 0 DHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2cnccc2SC)s1 ZINC000674259576 1017914726 /nfs/dbraw/zinc/91/47/26/1017914726.db2.gz NFERRWCSPXAZOJ-VIFPVBQESA-N -1 3 323.443 3.528 20 0 DHADHM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc([O-])ccc1Cl ZINC000342972125 1017924775 /nfs/dbraw/zinc/92/47/75/1017924775.db2.gz OFQJFMBCXPZTFJ-CYBMUJFWSA-N -1 3 324.163 3.563 20 0 DHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1[O-] ZINC000665924373 1018104571 /nfs/dbraw/zinc/10/45/71/1018104571.db2.gz RICVCBPPEBNTSH-UHFFFAOYSA-N -1 3 311.381 3.646 20 0 DHADHM CCc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155263360 1018260219 /nfs/dbraw/zinc/26/02/19/1018260219.db2.gz DMLJDEQWGRVWNG-UHFFFAOYSA-N -1 3 324.355 3.790 20 0 DHADHM C[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC[C@@]1(C)O ZINC001142105768 1018312606 /nfs/dbraw/zinc/31/26/06/1018312606.db2.gz MOHBHQORCIUIQP-MEBBXXQBSA-N -1 3 318.244 3.682 20 0 DHADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]Oc1ccccc1F ZINC000874909386 1032757712 /nfs/dbraw/zinc/75/77/12/1032757712.db2.gz ARYRHIOTDNVXDX-UHFFFAOYSA-N -1 3 319.298 3.995 20 0 DHADHM Cc1cc(C(=O)CCC(=O)[N-]Oc2ccccc2F)c(C)s1 ZINC000874912621 1032759210 /nfs/dbraw/zinc/75/92/10/1032759210.db2.gz MRTUVSPNUQTJOB-UHFFFAOYSA-N -1 3 321.373 3.577 20 0 DHADHM O=C(c1ccncc1)c1ccc(Nc2cccc([O-])c2F)cc1 ZINC001212552172 1018445130 /nfs/dbraw/zinc/44/51/30/1018445130.db2.gz DVYYNBRYTNBHNR-UHFFFAOYSA-N -1 3 308.312 3.901 20 0 DHADHM Cc1ccnc(F)c1Nc1cc(Br)cc(F)c1[O-] ZINC001212560585 1018475822 /nfs/dbraw/zinc/47/58/22/1018475822.db2.gz YJDGPAINBOBRIQ-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCSCC[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527176139 1018526245 /nfs/dbraw/zinc/52/62/45/1018526245.db2.gz DDIXSLZWXUPQQY-LBPRGKRZSA-N -1 3 303.427 3.807 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc(OC)c1 ZINC000471569721 1018867210 /nfs/dbraw/zinc/86/72/10/1018867210.db2.gz IUMXOVBLKKBODX-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM Cc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC000471645827 1018911863 /nfs/dbraw/zinc/91/18/63/1018911863.db2.gz ZUMYXTAJQCOVNC-UHFFFAOYSA-N -1 3 309.340 3.923 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2nc(Cl)ccc2Cl)s1 ZINC000016965710 1018920071 /nfs/dbraw/zinc/92/00/71/1018920071.db2.gz HJMJMCUVBVYQPI-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM O=C(NCc1cc(F)cc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000471694909 1018923354 /nfs/dbraw/zinc/92/33/54/1018923354.db2.gz BAJBIHSRRHQHDF-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2cccc(F)c2)s1 ZINC000650794129 1018941463 /nfs/dbraw/zinc/94/14/63/1018941463.db2.gz TYRXZQUAFYFBAO-IAQYHMDHSA-N -1 3 319.401 3.992 20 0 DHADHM CC(C)Oc1ccccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000315446453 1018943679 /nfs/dbraw/zinc/94/36/79/1018943679.db2.gz MDWLTZXDYSVYLG-AWEZNQCLSA-N -1 3 319.426 3.841 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024695152 1019009974 /nfs/dbraw/zinc/00/99/74/1019009974.db2.gz PIFUPXLGKUFCGQ-ZDUSSCGKSA-N -1 3 322.364 3.553 20 0 DHADHM O=S(=O)([N-]Cc1cccs1)c1cccc(Cl)c1Cl ZINC000007213587 1019014015 /nfs/dbraw/zinc/01/40/15/1019014015.db2.gz HXZPPLDXXSSWBN-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM CN(CCc1ccc(F)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471846985 1019090489 /nfs/dbraw/zinc/09/04/89/1019090489.db2.gz DUOPYDDEEGXHOF-UHFFFAOYSA-N -1 3 323.367 3.999 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(F)cc(F)c1 ZINC000076195278 1019098244 /nfs/dbraw/zinc/09/82/44/1019098244.db2.gz MKQJFXXMKSLBPH-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000671664985 1019147085 /nfs/dbraw/zinc/14/70/85/1019147085.db2.gz PXZMBAFPGIGNJB-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2cc(F)ccc2C1 ZINC000355520852 1019127442 /nfs/dbraw/zinc/12/74/42/1019127442.db2.gz QZMKSNRBQCEGOJ-UHFFFAOYSA-N -1 3 321.351 3.883 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000026874890 1019132613 /nfs/dbraw/zinc/13/26/13/1019132613.db2.gz UZCGXJNJNSLQED-ZJUUUORDSA-N -1 3 322.257 3.850 20 0 DHADHM CC(C)c1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)C(F)F)CC2 ZINC001128250934 1019247903 /nfs/dbraw/zinc/24/79/03/1019247903.db2.gz IPWFPDPYOLXKEZ-LBPRGKRZSA-N -1 3 303.299 3.814 20 0 DHADHM Cc1ccc2nc(-c3cccc(Br)c3)[n-]c(=O)c2c1 ZINC000077491711 1019263946 /nfs/dbraw/zinc/26/39/46/1019263946.db2.gz XGQSTYPFUFRNOS-UHFFFAOYSA-N -1 3 315.170 3.661 20 0 DHADHM COc1cccc2cc(C(=O)[N-]c3nnc(C(C)C)s3)oc21 ZINC000073913696 1019310964 /nfs/dbraw/zinc/31/09/64/1019310964.db2.gz QESWLBXRJUCONT-UHFFFAOYSA-N -1 3 317.370 3.669 20 0 DHADHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000739022846 1019364285 /nfs/dbraw/zinc/36/42/85/1019364285.db2.gz FVEYMCJTJMUZTO-RYUDHWBXSA-N -1 3 310.825 3.769 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1c(F)c(F)nc(F)c1Cl ZINC001212477550 1019396936 /nfs/dbraw/zinc/39/69/36/1019396936.db2.gz HLCQZTCINCZJKY-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM CCC(CC)(CC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000611213935 1019413151 /nfs/dbraw/zinc/41/31/51/1019413151.db2.gz HPEWGICQLSLZCD-UHFFFAOYSA-N -1 3 317.389 3.504 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2ccncn2)cs1 ZINC001212481853 1019428478 /nfs/dbraw/zinc/42/84/78/1019428478.db2.gz MPTSJIVUVIVWDA-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM CN(CCOc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349270182 1019627825 /nfs/dbraw/zinc/62/78/25/1019627825.db2.gz XIZCZHSFOLAPBU-UHFFFAOYSA-N -1 3 321.376 3.696 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000279419549 1019658742 /nfs/dbraw/zinc/65/87/42/1019658742.db2.gz CNNZKUQCQDXMEH-MRXNPFEDSA-N -1 3 321.380 3.636 20 0 DHADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ncccc2[O-])C1 ZINC000347581214 1019726134 /nfs/dbraw/zinc/72/61/34/1019726134.db2.gz DTIGHTJSVRNYCN-GJZGRUSLSA-N -1 3 320.433 3.881 20 0 DHADHM COc1cccc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[O-] ZINC000171250134 1019727531 /nfs/dbraw/zinc/72/75/31/1019727531.db2.gz BTFVCIHHAHBUTB-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525926126 1019727782 /nfs/dbraw/zinc/72/77/82/1019727782.db2.gz YGBODTGEMYAREW-ZDUSSCGKSA-N -1 3 321.376 3.612 20 0 DHADHM CN(CCc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000526906972 1019737063 /nfs/dbraw/zinc/73/70/63/1019737063.db2.gz KLOKJDWNGIWDFZ-UHFFFAOYSA-N -1 3 305.377 3.860 20 0 DHADHM O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1cc([O-])c2ccccc2c1 ZINC000527165092 1019744140 /nfs/dbraw/zinc/74/41/40/1019744140.db2.gz IIUPWRXBCCXGAD-UHFFFAOYSA-N -1 3 321.380 3.600 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c2n[nH]cc21 ZINC000527163163 1019744443 /nfs/dbraw/zinc/74/44/43/1019744443.db2.gz ZJRUSSYYKPBQGZ-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1[O-] ZINC000115710480 1019765299 /nfs/dbraw/zinc/76/52/99/1019765299.db2.gz KEVNDORYTONGGZ-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000281512360 1019770142 /nfs/dbraw/zinc/77/01/42/1019770142.db2.gz ISRBWOYAUDSDEO-SJORKVTESA-N -1 3 323.392 3.519 20 0 DHADHM C[C@H](c1ccccc1Br)N(C)Cc1ncccc1[O-] ZINC000685409743 1019800564 /nfs/dbraw/zinc/80/05/64/1019800564.db2.gz QCUBDSONUHPURZ-LLVKDONJSA-N -1 3 321.218 3.743 20 0 DHADHM O=C(CCC1CCCCC1)[N-]OCCCOc1ccccc1 ZINC000730100816 1019946863 /nfs/dbraw/zinc/94/68/63/1019946863.db2.gz YKFBFHIIDQYIDM-UHFFFAOYSA-N -1 3 305.418 3.864 20 0 DHADHM C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000685641110 1019994383 /nfs/dbraw/zinc/99/43/83/1019994383.db2.gz KAYDOBOHILKECC-JTQLQIEISA-N -1 3 307.752 3.718 20 0 DHADHM COc1cc(-c2nc3c(cccc3F)n2C)cc(Cl)c1[O-] ZINC000123938359 1020120201 /nfs/dbraw/zinc/12/02/01/1020120201.db2.gz RRRKUGSHSSWHOD-UHFFFAOYSA-N -1 3 306.724 3.747 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)c([O-])c1C ZINC000731837201 1020157099 /nfs/dbraw/zinc/15/70/99/1020157099.db2.gz LRCAQIVUQXYACJ-UHFFFAOYSA-N -1 3 310.397 3.644 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000612087541 1020191504 /nfs/dbraw/zinc/19/15/04/1020191504.db2.gz WJOMJCMYLKVLIP-ZFWWWQNUSA-N -1 3 323.483 3.614 20 0 DHADHM CC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(C)cc1 ZINC000732257222 1020218304 /nfs/dbraw/zinc/21/83/04/1020218304.db2.gz GTAIUCUIXRFDLT-OAHLLOKOSA-N -1 3 321.380 3.525 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1cccc(Cl)c1 ZINC000732804603 1020285595 /nfs/dbraw/zinc/28/55/95/1020285595.db2.gz RXCONBBYVCUVBI-UHFFFAOYSA-N -1 3 303.789 3.911 20 0 DHADHM O=C([N-]c1ccon1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000755748098 1020387354 /nfs/dbraw/zinc/38/73/54/1020387354.db2.gz POVARRPTVOMQIH-UHFFFAOYSA-N -1 3 323.230 3.601 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)C(C)C)nc(=O)c2c1C ZINC000733580995 1020411285 /nfs/dbraw/zinc/41/12/85/1020411285.db2.gz XPFSXPQIVQQFIK-WCBMZHEXSA-N -1 3 322.430 3.910 20 0 DHADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000106910389 1020440800 /nfs/dbraw/zinc/44/08/00/1020440800.db2.gz SYFHTCZGXKDKNX-KBPBESRZSA-N -1 3 317.772 3.796 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nccs1 ZINC000765826751 1020453992 /nfs/dbraw/zinc/45/39/92/1020453992.db2.gz LZHVNLLLODIJKF-NSHDSACASA-N -1 3 314.332 3.642 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc(C2C(C)(C)C2(C)C)[nH]n1 ZINC001299947635 1020468416 /nfs/dbraw/zinc/46/84/16/1020468416.db2.gz HISKZOSOKYGUBE-UHFFFAOYSA-N -1 3 313.401 3.826 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000348091831 1020502617 /nfs/dbraw/zinc/50/26/17/1020502617.db2.gz MNHIHUVTHXVZAQ-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM CCC1CCC(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000303750118 1020597098 /nfs/dbraw/zinc/59/70/98/1020597098.db2.gz BOWCWZDHIDYVRL-UHFFFAOYSA-N -1 3 308.397 3.547 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735031548 1020685272 /nfs/dbraw/zinc/68/52/72/1020685272.db2.gz KXZKYNNATOTKGI-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@H](CC)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735031548 1020685280 /nfs/dbraw/zinc/68/52/80/1020685280.db2.gz KXZKYNNATOTKGI-ZDUSSCGKSA-N -1 3 315.421 3.802 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](C2CC2)C1 ZINC000685856619 1020841413 /nfs/dbraw/zinc/84/14/13/1020841413.db2.gz UIZWACHTCHJVAO-OAHLLOKOSA-N -1 3 305.393 3.503 20 0 DHADHM CCc1cnccc1[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000613246714 1020870419 /nfs/dbraw/zinc/87/04/19/1020870419.db2.gz JWOGMIOMTWDWRU-LLVKDONJSA-N -1 3 316.426 3.563 20 0 DHADHM Cc1ccccc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000738294056 1020872892 /nfs/dbraw/zinc/87/28/92/1020872892.db2.gz CUGCWUSBJRSMEX-UHFFFAOYSA-N -1 3 305.377 3.939 20 0 DHADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000741309470 1020998878 /nfs/dbraw/zinc/99/88/78/1020998878.db2.gz DEZXMWUUHZKNCU-GFCCVEGCSA-N -1 3 309.321 3.965 20 0 DHADHM O=C(NC[C@@H]1CCCCC1(F)F)c1cc([O-])ccc1Cl ZINC000295443477 1021031236 /nfs/dbraw/zinc/03/12/36/1021031236.db2.gz OLDVQZSDNWLXBK-VIFPVBQESA-N -1 3 303.736 3.601 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000648259578 1021245837 /nfs/dbraw/zinc/24/58/37/1021245837.db2.gz WUFWKVXPESGGPL-UHFFFAOYSA-N -1 3 322.821 3.631 20 0 DHADHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128709991 1021331077 /nfs/dbraw/zinc/33/10/77/1021331077.db2.gz YTVYDYOACHDRPB-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM CCOc1ccccc1CCC(=O)Nc1cccc([O-])c1F ZINC000129016779 1021402600 /nfs/dbraw/zinc/40/26/00/1021402600.db2.gz WULSTNBIBUWRFQ-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CCc1cccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)c1[O-] ZINC000618889398 1021565745 /nfs/dbraw/zinc/56/57/45/1021565745.db2.gz LXVWFWLPOXXQGO-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(F)cc1F ZINC000129776597 1021571161 /nfs/dbraw/zinc/57/11/61/1021571161.db2.gz WCNBSNCEVBKJOW-SECBINFHSA-N -1 3 309.287 3.942 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c([O-])c1 ZINC000129760252 1021571798 /nfs/dbraw/zinc/57/17/98/1021571798.db2.gz IKHXVKGZDXOIDJ-UHFFFAOYSA-N -1 3 324.380 3.610 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CC1CCCCC1 ZINC000182256202 1021688799 /nfs/dbraw/zinc/68/87/99/1021688799.db2.gz JSJBYWCZQPRGIC-CQSZACIVSA-N -1 3 303.402 3.673 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1F ZINC000919061613 1021710628 /nfs/dbraw/zinc/71/06/28/1021710628.db2.gz BHRWJEPQYZJZLQ-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1F ZINC000919061613 1021710645 /nfs/dbraw/zinc/71/06/45/1021710645.db2.gz BHRWJEPQYZJZLQ-VIFPVBQESA-N -1 3 318.279 3.866 20 0 DHADHM CCC[C@H](CC1CCCC1)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000619449051 1021758719 /nfs/dbraw/zinc/75/87/19/1021758719.db2.gz PROOUNGWFMJGAM-CYBMUJFWSA-N -1 3 321.421 3.522 20 0 DHADHM CCC[C@H](CC1CCCC1)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000619449051 1021758732 /nfs/dbraw/zinc/75/87/32/1021758732.db2.gz PROOUNGWFMJGAM-CYBMUJFWSA-N -1 3 321.421 3.522 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC/C=C\c3ccccc3)n[n-]2)o1 ZINC000919326862 1021763404 /nfs/dbraw/zinc/76/34/04/1021763404.db2.gz VAJPFBSUPQIRMT-YVMONPNESA-N -1 3 308.337 3.848 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC/C=C\c3ccccc3)[n-]n2)o1 ZINC000919326862 1021763422 /nfs/dbraw/zinc/76/34/22/1021763422.db2.gz VAJPFBSUPQIRMT-YVMONPNESA-N -1 3 308.337 3.848 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC/C=C/c3ccccc3)n[n-]2)o1 ZINC000919326860 1021764323 /nfs/dbraw/zinc/76/43/23/1021764323.db2.gz VAJPFBSUPQIRMT-VMPITWQZSA-N -1 3 308.337 3.848 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC/C=C/c3ccccc3)[n-]n2)o1 ZINC000919326860 1021764338 /nfs/dbraw/zinc/76/43/38/1021764338.db2.gz VAJPFBSUPQIRMT-VMPITWQZSA-N -1 3 308.337 3.848 20 0 DHADHM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174881293 1021771562 /nfs/dbraw/zinc/77/15/62/1021771562.db2.gz PELRZZVXUAUXPV-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C2CC2)c1Cl ZINC000619664516 1021820709 /nfs/dbraw/zinc/82/07/09/1021820709.db2.gz RZZWRONCGKVYHU-VIFPVBQESA-N -1 3 322.257 3.626 20 0 DHADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(F)cc1F ZINC000746013865 1021824946 /nfs/dbraw/zinc/82/49/46/1021824946.db2.gz QZTOTXUXEFBKRD-UHFFFAOYSA-N -1 3 306.190 3.532 20 0 DHADHM CC1(C)CC(Nc2ccc3c(c2)[N-]C(=S)C3)CC(C)(C)N1O ZINC001167721397 1021836952 /nfs/dbraw/zinc/83/69/52/1021836952.db2.gz XQUGYRVGBDNLNL-UHFFFAOYSA-N -1 3 319.474 3.805 20 0 DHADHM O=C(OCCCCO)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746080325 1021843399 /nfs/dbraw/zinc/84/33/99/1021843399.db2.gz VJLFPZYWPXVXQS-UHFFFAOYSA-N -1 3 320.772 3.642 20 0 DHADHM CCc1cnn2cc(Nc3c(Cl)ccc([O-])c3F)cnc12 ZINC001214558957 1021870778 /nfs/dbraw/zinc/87/07/78/1021870778.db2.gz AEOLABVOKJDLDV-UHFFFAOYSA-N -1 3 306.728 3.533 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(F)c1 ZINC000538265330 1033017008 /nfs/dbraw/zinc/01/70/08/1033017008.db2.gz PAXKVLSWYCTWDV-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1c([O-])ccc2c(CN(C)Cc3ccsc3)cc(=O)oc12 ZINC000007927117 1021944606 /nfs/dbraw/zinc/94/46/06/1021944606.db2.gz RVMSEEMFJORIHN-UHFFFAOYSA-N -1 3 315.394 3.501 20 0 DHADHM COc1ccc2c(c1)N(C(=O)c1ccc(C)c(C)c1[O-])CCC2 ZINC000619937498 1021965305 /nfs/dbraw/zinc/96/53/05/1021965305.db2.gz OTLUVTIVOQVWRB-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM O=C([O-])[C@H](NCc1ccsc1C(F)(F)F)c1cccs1 ZINC000901599621 1022154017 /nfs/dbraw/zinc/15/40/17/1022154017.db2.gz YCVMJPQGSLKZGY-SECBINFHSA-N -1 3 321.345 3.744 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@H]1CC1CCC1 ZINC000620573310 1022192995 /nfs/dbraw/zinc/19/29/95/1022192995.db2.gz IRSLHHVKDSPERJ-HNNXBMFYSA-N -1 3 324.424 3.713 20 0 DHADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210376 1022250741 /nfs/dbraw/zinc/25/07/41/1022250741.db2.gz PLSNULZSFUKKFK-UHFFFAOYSA-N -1 3 319.575 3.943 20 0 DHADHM CCCc1nc(C)c(CO[N-]C(=O)CCCc2ccccc2)o1 ZINC000853665336 1022312321 /nfs/dbraw/zinc/31/23/21/1022312321.db2.gz ZWCNRIMPWDJCFQ-UHFFFAOYSA-N -1 3 316.401 3.506 20 0 DHADHM Nc1cc(Br)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212588216 1022351093 /nfs/dbraw/zinc/35/10/93/1022351093.db2.gz KHWDVXMGACUAAN-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM O=c1[nH]cc(Nc2ccc(Cl)c([O-])c2)cc1Br ZINC001212590591 1022422825 /nfs/dbraw/zinc/42/28/25/1022422825.db2.gz UATBNZYPWZVGAH-UHFFFAOYSA-N -1 3 315.554 3.652 20 0 DHADHM O=C1Nc2ccc(-c3ccc(=O)[n-]c3F)cc2C12CCCCC2 ZINC000854190055 1022425708 /nfs/dbraw/zinc/42/57/08/1022425708.db2.gz UVTCNVPLEJQDAR-UHFFFAOYSA-N -1 3 312.344 3.747 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(-c2cccnc2)n1 ZINC001212590622 1022431836 /nfs/dbraw/zinc/43/18/36/1022431836.db2.gz VWQOZORNHWAZQP-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM [O-]c1cc(Nc2ccccc2CN2CCOCC2)ccc1Cl ZINC001212592608 1022490979 /nfs/dbraw/zinc/49/09/79/1022490979.db2.gz YNSPTSXNDMPAMK-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM O=S(=O)(c1ccc(Nc2ccc(Cl)c([O-])c2)cc1)C1CC1 ZINC001212594936 1022546985 /nfs/dbraw/zinc/54/69/85/1022546985.db2.gz DQOKJZYHYKHDLL-UHFFFAOYSA-N -1 3 323.801 3.725 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595421 1022549945 /nfs/dbraw/zinc/54/99/45/1022549945.db2.gz SNIWYHRJTZAOPF-UHFFFAOYSA-N -1 3 305.761 3.895 20 0 DHADHM CCOc1ccccc1C1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC000363991106 1022551144 /nfs/dbraw/zinc/55/11/44/1022551144.db2.gz RZBHLDMBXDHGIQ-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM [O-]c1c(Cl)cccc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000179838608 1022557752 /nfs/dbraw/zinc/55/77/52/1022557752.db2.gz DJFOFKXRJSPNDP-OAHLLOKOSA-N -1 3 321.804 3.820 20 0 DHADHM COCCCN(c1ccc(Cl)c([O-])c1)c1ccccc1N ZINC001212595531 1022560304 /nfs/dbraw/zinc/56/03/04/1022560304.db2.gz YBWTYAKSPSDIAC-UHFFFAOYSA-N -1 3 306.793 3.802 20 0 DHADHM CSc1ccc([O-])c(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000855014779 1022562817 /nfs/dbraw/zinc/56/28/17/1022562817.db2.gz DLEBGLILHADLSI-KBPBESRZSA-N -1 3 317.813 3.549 20 0 DHADHM Cc1sc([N-]C(=O)c2conc2C(F)(F)F)nc1C(C)C ZINC000855236809 1022601311 /nfs/dbraw/zinc/60/13/11/1022601311.db2.gz DKRZYULNLNQRGY-UHFFFAOYSA-N -1 3 319.308 3.834 20 0 DHADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000159048187 1022684991 /nfs/dbraw/zinc/68/49/91/1022684991.db2.gz ASMAAIDNLYBIBN-HNNXBMFYSA-N -1 3 320.751 3.771 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(CCCC2=O)CC1 ZINC000856016571 1022740452 /nfs/dbraw/zinc/74/04/52/1022740452.db2.gz JHTPJDWPTWDFOE-UHFFFAOYSA-N -1 3 323.392 3.521 20 0 DHADHM CC1(C)[C@H](CNC(=O)c2cc3sccc3c([O-])c2)C1(F)F ZINC000856069000 1022746223 /nfs/dbraw/zinc/74/62/23/1022746223.db2.gz ZNNLVOYAMYIUQK-LBPRGKRZSA-N -1 3 311.353 3.628 20 0 DHADHM COc1cc(C(=O)/C=C/c2ccc3ncccc3c2)ccc1[O-] ZINC000068762236 1022757452 /nfs/dbraw/zinc/75/74/52/1022757452.db2.gz JOZKQOPWJCEWGG-VMPITWQZSA-N -1 3 305.333 3.845 20 0 DHADHM CCC[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccccn1 ZINC000584848267 1022806609 /nfs/dbraw/zinc/80/66/09/1022806609.db2.gz MKZHINIBZUQKFZ-LLVKDONJSA-N -1 3 304.777 3.963 20 0 DHADHM C[C@@H](N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1(C)CC1 ZINC000621906092 1022935644 /nfs/dbraw/zinc/93/56/44/1022935644.db2.gz XSYNYOAEZROTQX-SECBINFHSA-N -1 3 301.308 3.672 20 0 DHADHM Cc1ncc(Nc2ccc(CNc3ccccc3)cc2)c(=O)[n-]1 ZINC001212302067 1022954163 /nfs/dbraw/zinc/95/41/63/1022954163.db2.gz LJGSFXBOTFNJIE-UHFFFAOYSA-N -1 3 306.369 3.846 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C(C)(C)C1 ZINC000857143746 1022956094 /nfs/dbraw/zinc/95/60/94/1022956094.db2.gz RSUVOEZGUNPXKZ-SECBINFHSA-N -1 3 301.308 3.672 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000768343370 1022957328 /nfs/dbraw/zinc/95/73/28/1022957328.db2.gz DCKDHILOQKPNFU-CYBMUJFWSA-N -1 3 313.401 3.520 20 0 DHADHM O=C(OCc1nc(-c2ccccc2)cs1)c1ccc([O-])cc1 ZINC000768377514 1022958406 /nfs/dbraw/zinc/95/84/06/1022958406.db2.gz OGXKTMHCAKWNCM-UHFFFAOYSA-N -1 3 311.362 3.873 20 0 DHADHM COc1ccc([O-])c(-c2nc(C3(c4ccccc4)CCC3)no2)c1 ZINC000324808710 1022969913 /nfs/dbraw/zinc/96/99/13/1022969913.db2.gz OXSSIEUDOCEHRI-UHFFFAOYSA-N -1 3 322.364 3.921 20 0 DHADHM O=C(Nc1ccc(C2CCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000337610591 1033096891 /nfs/dbraw/zinc/09/68/91/1033096891.db2.gz URVLGMCZYDTZDK-UHFFFAOYSA-N -1 3 310.332 3.617 20 0 DHADHM O=C(NCC[C@@H]1CC1(Cl)Cl)c1cc([O-])c2ccccc2c1 ZINC000857383143 1023000701 /nfs/dbraw/zinc/00/07/01/1023000701.db2.gz DSTATAIZJLLPPZ-GFCCVEGCSA-N -1 3 324.207 3.859 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OC2CCCCC2)cc1C ZINC000857493282 1023022872 /nfs/dbraw/zinc/02/28/72/1023022872.db2.gz VFCWUDWKLKZCEL-UHFFFAOYSA-N -1 3 305.418 3.843 20 0 DHADHM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000622110370 1023039013 /nfs/dbraw/zinc/03/90/13/1023039013.db2.gz YCWXROPSICCTTF-BBBLOLIVSA-N -1 3 301.308 3.528 20 0 DHADHM CCc1ccc(C)nc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622142023 1023041004 /nfs/dbraw/zinc/04/10/04/1023041004.db2.gz JGFQCNLDDNNODC-UHFFFAOYSA-N -1 3 324.302 3.929 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000617905354 1023090263 /nfs/dbraw/zinc/09/02/63/1023090263.db2.gz CAXPINSLPCRMSA-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)c1[O-] ZINC000622375222 1023128268 /nfs/dbraw/zinc/12/82/68/1023128268.db2.gz SBYYJVMVAXUGIX-MRXNPFEDSA-N -1 3 312.413 3.785 20 0 DHADHM Cc1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)n1 ZINC000320492061 1023225957 /nfs/dbraw/zinc/22/59/57/1023225957.db2.gz UZGRCUVSODCQGH-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2ccc(-n3nccn3)cc2)c1F ZINC001214563378 1023409009 /nfs/dbraw/zinc/40/90/09/1023409009.db2.gz CWGDDTZRWMXDML-UHFFFAOYSA-N -1 3 304.712 3.509 20 0 DHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000007405026 1023417656 /nfs/dbraw/zinc/41/76/56/1023417656.db2.gz PRSXAMODDCXTRQ-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1csc([C@H]2CCCO2)n1 ZINC000557183953 1023532496 /nfs/dbraw/zinc/53/24/96/1023532496.db2.gz RIJFETFLAJAKGP-LLVKDONJSA-N -1 3 324.789 3.606 20 0 DHADHM CC(C)(C)c1nc(COC(=O)c2cc3occc3[n-]2)cs1 ZINC000786030279 1023652998 /nfs/dbraw/zinc/65/29/98/1023652998.db2.gz NXCZHDZFIULCGS-UHFFFAOYSA-N -1 3 304.371 3.872 20 0 DHADHM O=C(COC(=O)c1cc2occc2[n-]1)c1ccc2c(c1)CCCC2 ZINC000786030262 1023653251 /nfs/dbraw/zinc/65/32/51/1023653251.db2.gz NPXFAQRDEPGIFR-UHFFFAOYSA-N -1 3 323.348 3.679 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1nc(-c2ccccc2)no1 ZINC000786032000 1023654133 /nfs/dbraw/zinc/65/41/33/1023654133.db2.gz WWQKKDZBVADYEC-SNVBAGLBSA-N -1 3 323.308 3.729 20 0 DHADHM O=C([N-]Cc1ccc(Oc2ccccc2F)c(F)c1)C(F)F ZINC000787389747 1023791665 /nfs/dbraw/zinc/79/16/65/1023791665.db2.gz CDPGCZYOYLAKCO-UHFFFAOYSA-N -1 3 313.250 3.638 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OC/C(Cl)=C/Cl ZINC000787842006 1023825327 /nfs/dbraw/zinc/82/53/27/1023825327.db2.gz DJQPZFRTKPTFMX-YFHOEESVSA-N -1 3 307.148 3.716 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cccc(F)c1 ZINC000787844755 1023825562 /nfs/dbraw/zinc/82/55/62/1023825562.db2.gz MHOVRXNUUWXHNI-UHFFFAOYSA-N -1 3 306.308 3.737 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccccc1F ZINC000787850828 1023827098 /nfs/dbraw/zinc/82/70/98/1023827098.db2.gz SRPJQJYWVMFIAL-UHFFFAOYSA-N -1 3 306.308 3.737 20 0 DHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(F)cc1Cl ZINC000788112851 1023856004 /nfs/dbraw/zinc/85/60/04/1023856004.db2.gz UNVKAHYCYREECX-UHFFFAOYSA-N -1 3 320.654 3.629 20 0 DHADHM CC(C)[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCS1 ZINC000788305956 1023868494 /nfs/dbraw/zinc/86/84/94/1023868494.db2.gz QJBJVODPEHKFBD-HNNXBMFYSA-N -1 3 321.467 3.821 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CCc2sccc2C1 ZINC000788269485 1023869653 /nfs/dbraw/zinc/86/96/53/1023869653.db2.gz BEFPVIFJKDGMSN-UHFFFAOYSA-N -1 3 315.419 3.867 20 0 DHADHM O=C([O-])CCN(Cc1csc(-c2cccs2)n1)CC1CC1 ZINC000652467828 1023879812 /nfs/dbraw/zinc/87/98/12/1023879812.db2.gz LVPNFLNLDXCGFR-UHFFFAOYSA-N -1 3 322.455 3.558 20 0 DHADHM CC(C)c1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000663260140 1023979109 /nfs/dbraw/zinc/97/91/09/1023979109.db2.gz ODTPLDFUCXEOML-KRWDZBQOSA-N -1 3 301.361 3.865 20 0 DHADHM COc1ccccc1[C@@H](NCc1cccc(C(C)C)c1)C(=O)[O-] ZINC000663259940 1023982034 /nfs/dbraw/zinc/98/20/34/1023982034.db2.gz JZCSNPJIKLSUBJ-GOSISDBHSA-N -1 3 313.397 3.734 20 0 DHADHM Cc1ccc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000663261271 1023985763 /nfs/dbraw/zinc/98/57/63/1023985763.db2.gz IBIKUXYFKBTSNP-NSHDSACASA-N -1 3 323.742 3.781 20 0 DHADHM CCCN(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531134831 1024021823 /nfs/dbraw/zinc/02/18/23/1024021823.db2.gz KDDXJIGSTXWCDN-UHFFFAOYSA-N -1 3 302.349 3.630 20 0 DHADHM COc1csc(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000746842699 1024137070 /nfs/dbraw/zinc/13/70/70/1024137070.db2.gz YFPLGJDTEZKNCR-UHFFFAOYSA-N -1 3 323.443 3.908 20 0 DHADHM O=C([N-]c1csc(-c2ccncc2)n1)c1nc(Cl)cs1 ZINC000790024520 1024208216 /nfs/dbraw/zinc/20/82/16/1024208216.db2.gz RIPKNHJBPVTODL-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cncc(Cl)n1 ZINC000790331821 1024276758 /nfs/dbraw/zinc/27/67/58/1024276758.db2.gz JMBCFYLTDLPFRV-UHFFFAOYSA-N -1 3 314.197 3.758 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1 ZINC000270351121 1024379987 /nfs/dbraw/zinc/37/99/87/1024379987.db2.gz PQWGTTRCPUHIPG-UHFFFAOYSA-N -1 3 313.319 3.850 20 0 DHADHM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007745931 1024439442 /nfs/dbraw/zinc/43/94/42/1024439442.db2.gz YLEMIDPELRZQSU-UHFFFAOYSA-N -1 3 319.451 3.698 20 0 DHADHM CCc1cc(O)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000791157839 1024447683 /nfs/dbraw/zinc/44/76/83/1024447683.db2.gz PHMZLZNERKUCEP-UHFFFAOYSA-N -1 3 311.381 3.791 20 0 DHADHM Cc1ccc(Cl)cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000883955553 1024596250 /nfs/dbraw/zinc/59/62/50/1024596250.db2.gz ZFNXTWGMOPAAOI-UHFFFAOYSA-N -1 3 319.792 3.828 20 0 DHADHM Cc1cc(Cl)nc([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001157683733 1024670903 /nfs/dbraw/zinc/67/09/03/1024670903.db2.gz CANGNIYHIYHYSL-JTQLQIEISA-N -1 3 302.687 3.549 20 0 DHADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)c1cc(C)cc(C)c1 ZINC000666214139 1024790395 /nfs/dbraw/zinc/79/03/95/1024790395.db2.gz SBQKMCMSOQQPDA-UHFFFAOYSA-N -1 3 311.381 3.878 20 0 DHADHM CC[C@H](C)Oc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000320085521 1024960659 /nfs/dbraw/zinc/96/06/59/1024960659.db2.gz CGWRPXRABFEKRO-LBPRGKRZSA-N -1 3 315.369 3.830 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)CCCc2ccccc2)c1 ZINC000666433075 1025053431 /nfs/dbraw/zinc/05/34/31/1025053431.db2.gz NNYCGKHTNITZAA-UHFFFAOYSA-N -1 3 315.438 3.819 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)nc2)n1 ZINC000884649959 1025207369 /nfs/dbraw/zinc/20/73/69/1025207369.db2.gz UWPHTJYEUXYHTP-MZGVZZPPSA-N -1 3 324.428 3.511 20 0 DHADHM O=C(CCOc1ccc(Cl)c(Cl)c1)[N-]OC/C=C/Cl ZINC000794290411 1025249565 /nfs/dbraw/zinc/24/95/65/1025249565.db2.gz LIUZLYAMTNJLDT-ORCRQEGFSA-N -1 3 324.591 3.563 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000626195191 1025274990 /nfs/dbraw/zinc/27/49/90/1025274990.db2.gz RKXNSXADLULVRS-HZPDHXFCSA-N -1 3 313.372 3.731 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129614066 1025356300 /nfs/dbraw/zinc/35/63/00/1025356300.db2.gz ZXINCWOKLDMBGI-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129614066 1025356315 /nfs/dbraw/zinc/35/63/15/1025356315.db2.gz ZXINCWOKLDMBGI-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM O=C(NCC1(C(F)(F)F)CC1)c1cc2sccc2c([O-])c1 ZINC000804605743 1025387112 /nfs/dbraw/zinc/38/71/12/1025387112.db2.gz WCLGLXXERLJYAI-UHFFFAOYSA-N -1 3 315.316 3.679 20 0 DHADHM C[C@H](Oc1cccc([O-])c1Br)c1ncccc1F ZINC001229140534 1025401227 /nfs/dbraw/zinc/40/12/27/1025401227.db2.gz CGRBUAAOOCDIIO-QMMMGPOBSA-N -1 3 312.138 3.829 20 0 DHADHM O=C([N-]c1ccnc(Cl)c1F)c1cnc(-c2ccco2)s1 ZINC001129739306 1025405242 /nfs/dbraw/zinc/40/52/42/1025405242.db2.gz FIPKDMKNQXXBKW-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM Cn1ccnc1[C@@H]([N-]c1nc2ccccc2o1)c1ccccc1F ZINC000051500527 1025440750 /nfs/dbraw/zinc/44/07/50/1025440750.db2.gz LGRIYTCZUAWLNW-INIZCTEOSA-N -1 3 322.343 3.902 20 0 DHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1nc2c(s1)C[C@H](C)CC2 ZINC000426696823 1025469343 /nfs/dbraw/zinc/46/93/43/1025469343.db2.gz QPOOOMDTLVTKGQ-FRRDWIJNSA-N -1 3 324.490 3.637 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1conc1C1CC1 ZINC000355056077 1025594762 /nfs/dbraw/zinc/59/47/62/1025594762.db2.gz IYZXCQHDFIUOBD-UHFFFAOYSA-N -1 3 312.247 3.529 20 0 DHADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000355159651 1025618838 /nfs/dbraw/zinc/61/88/38/1025618838.db2.gz HNOSEGYXNFMFBF-CQSZACIVSA-N -1 3 320.392 3.636 20 0 DHADHM CCc1cc2c([n-]c(CO[C@@H]3CCCC[C@@H]3C)nc2=O)s1 ZINC000070694330 1025700936 /nfs/dbraw/zinc/70/09/36/1025700936.db2.gz VECFVLKRAUYYRX-GXFFZTMASA-N -1 3 306.431 3.642 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000614244582 1025983919 /nfs/dbraw/zinc/98/39/19/1025983919.db2.gz KZLDFRJKJMIYOF-KWQFWETISA-N -1 3 319.348 3.527 20 0 DHADHM COc1ccc(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)c([O-])c1 ZINC001170533904 1026121683 /nfs/dbraw/zinc/12/16/83/1026121683.db2.gz DIWZOAIRBAJASL-GOSISDBHSA-N -1 3 313.397 3.836 20 0 DHADHM CC(C)CCc1nc(COc2ccc3c([O-])coc3c2)cs1 ZINC000664134657 1026242091 /nfs/dbraw/zinc/24/20/91/1026242091.db2.gz MOZGBCOSXWBCNU-UHFFFAOYSA-N -1 3 317.410 3.886 20 0 DHADHM CCOC(=O)c1c(C)nsc1[N-]c1c(F)cc(F)cc1F ZINC000092914291 1026316086 /nfs/dbraw/zinc/31/60/86/1026316086.db2.gz GALKKUYLRDUVBR-UHFFFAOYSA-N -1 3 316.304 3.789 20 0 DHADHM COCCCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810595558 1026795359 /nfs/dbraw/zinc/79/53/59/1026795359.db2.gz GHMRBHSUCBIHLY-UHFFFAOYSA-N -1 3 301.795 3.856 20 0 DHADHM Cc1ccncc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810630290 1026812931 /nfs/dbraw/zinc/81/29/31/1026812931.db2.gz SXINCMYJOAQQTC-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM O=C(OCCC[C@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810672636 1026823647 /nfs/dbraw/zinc/82/36/47/1026823647.db2.gz HXKVEBWLFJMNJQ-SNVBAGLBSA-N -1 3 313.806 3.999 20 0 DHADHM C[C@@H](CCn1cccn1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810658319 1026827645 /nfs/dbraw/zinc/82/76/45/1026827645.db2.gz KEKBOBLWETZCIP-VIFPVBQESA-N -1 3 323.805 3.715 20 0 DHADHM C[C@@H]1C[C@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810659479 1026830746 /nfs/dbraw/zinc/83/07/46/1026830746.db2.gz TYZDUFKGQBFHNS-RKDXNWHRSA-N -1 3 313.806 3.855 20 0 DHADHM CC1(C)C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810706187 1026838159 /nfs/dbraw/zinc/83/81/59/1026838159.db2.gz LDDKFPGSXLUORM-SECBINFHSA-N -1 3 313.806 3.997 20 0 DHADHM COc1cncc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810880903 1026872957 /nfs/dbraw/zinc/87/29/57/1026872957.db2.gz WPEATJOAQDHLSQ-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM O=C([O-])C[C@@H](NCc1cccc(C2CC2)c1)c1ccsc1 ZINC000421817763 1027064131 /nfs/dbraw/zinc/06/41/31/1027064131.db2.gz WUJMGEOAALWNSP-MRXNPFEDSA-N -1 3 301.411 3.931 20 0 DHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccsc1 ZINC000362250134 1027114143 /nfs/dbraw/zinc/11/41/43/1027114143.db2.gz LLJNVCMHMPVKOF-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccsc1 ZINC000362250134 1027114151 /nfs/dbraw/zinc/11/41/51/1027114151.db2.gz LLJNVCMHMPVKOF-UHFFFAOYSA-N -1 3 310.338 3.532 20 0 DHADHM [O-]c1cccnc1CNc1nc(Cl)nc2c(Cl)cccc12 ZINC001158774281 1027148337 /nfs/dbraw/zinc/14/83/37/1027148337.db2.gz KOQXNRUUIAEAAO-UHFFFAOYSA-N -1 3 321.167 3.649 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000562054659 1027202828 /nfs/dbraw/zinc/20/28/28/1027202828.db2.gz RPJGPMZIPSWOOS-NWDGAFQWSA-N -1 3 305.736 3.927 20 0 DHADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OC/C=C\Cl ZINC000812400863 1027260002 /nfs/dbraw/zinc/26/00/02/1027260002.db2.gz DVMBTGCYBOPBIP-BHQIHCQQSA-N -1 3 308.592 3.726 20 0 DHADHM CCCCc1ccc(C(=O)CCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812403056 1027262294 /nfs/dbraw/zinc/26/22/94/1027262294.db2.gz NBRVAFBRRISGPL-QCDXTXTGSA-N -1 3 323.820 3.792 20 0 DHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)[N-]OC/C=C/Cl)C1 ZINC000812407993 1027282744 /nfs/dbraw/zinc/28/27/44/1027282744.db2.gz LNVHDEAROHVYEN-PHGPQXGHSA-N -1 3 317.857 3.942 20 0 DHADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000573531468 1027304574 /nfs/dbraw/zinc/30/45/74/1027304574.db2.gz YEFBTYYWESIXHU-ZDUSSCGKSA-N -1 3 321.376 3.612 20 0 DHADHM CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000812539521 1027316910 /nfs/dbraw/zinc/31/69/10/1027316910.db2.gz LFTABWFUFXHUBW-UHFFFAOYSA-N -1 3 318.760 3.646 20 0 DHADHM O=C(OCc1cncc(C(F)(F)F)c1)c1cc2occc2[n-]1 ZINC000812594205 1027338190 /nfs/dbraw/zinc/33/81/90/1027338190.db2.gz FFUZFWNPENQXII-UHFFFAOYSA-N -1 3 310.231 3.532 20 0 DHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295677767 1027386084 /nfs/dbraw/zinc/38/60/84/1027386084.db2.gz BWOKZAHUBFSSEL-UHFFFAOYSA-N -1 3 322.817 3.722 20 0 DHADHM COc1ccc(C(=O)N2CCC(=Cc3ccccc3)CC2)c([O-])c1 ZINC000362858320 1027416137 /nfs/dbraw/zinc/41/61/37/1027416137.db2.gz AECHGBKOVRLEHZ-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000812800207 1027426832 /nfs/dbraw/zinc/42/68/32/1027426832.db2.gz PGDSUWQZFTYPES-UHFFFAOYSA-N -1 3 305.761 3.558 20 0 DHADHM CC1(C)[C@@H]2CN([C@@H](C(=O)[O-])c3cccc(Cl)c3Cl)C[C@@H]21 ZINC000575412557 1027483497 /nfs/dbraw/zinc/48/34/97/1027483497.db2.gz FAIGIOGXFIFTCZ-GBIKHYSHSA-N -1 3 314.212 3.707 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3c(s2)CSCC3)c([O-])c1C ZINC000562865026 1027640995 /nfs/dbraw/zinc/64/09/95/1027640995.db2.gz BWKADOBWONNGRL-UHFFFAOYSA-N -1 3 320.439 3.507 20 0 DHADHM CC(C)O[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000296739275 1027724388 /nfs/dbraw/zinc/72/43/88/1027724388.db2.gz APYICGKAXDMYNP-CHWSQXEVSA-N -1 3 316.426 3.802 20 0 DHADHM O=C(NC1(C(F)F)CCCC1)c1cc([O-])c2ccccc2c1 ZINC000813886387 1027752528 /nfs/dbraw/zinc/75/25/28/1027752528.db2.gz FGKWABWRKWVLPT-UHFFFAOYSA-N -1 3 305.324 3.853 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cccc(F)c1F ZINC000364496377 1027827799 /nfs/dbraw/zinc/82/77/99/1027827799.db2.gz BMUIOIWZKZUJCX-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM Cc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c([O-])c1 ZINC000365386368 1027934035 /nfs/dbraw/zinc/93/40/35/1027934035.db2.gz DCBHQWWDVQXZRD-KRWDZBQOSA-N -1 3 313.422 3.631 20 0 DHADHM CC(C)(C)C(C)(C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000814487875 1028065534 /nfs/dbraw/zinc/06/55/34/1028065534.db2.gz LXWFJSBTWVHUJL-UHFFFAOYSA-N -1 3 318.373 3.558 20 0 DHADHM CCc1ccc2c(c1)CCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC000934903282 1028149691 /nfs/dbraw/zinc/14/96/91/1028149691.db2.gz YBEWIGURHYBLRS-UHFFFAOYSA-N -1 3 321.380 3.567 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000448968684 1028215955 /nfs/dbraw/zinc/21/59/55/1028215955.db2.gz LTVDUZBVJKBURJ-NVXWUHKLSA-N -1 3 313.372 3.526 20 0 DHADHM Cc1cnccc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000814806173 1028230172 /nfs/dbraw/zinc/23/01/72/1028230172.db2.gz QSEIOSSXMBHDBH-UHFFFAOYSA-N -1 3 313.378 3.803 20 0 DHADHM CC(C)c1ccc([C@H](C)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000564151501 1028327932 /nfs/dbraw/zinc/32/79/32/1028327932.db2.gz GWINGVVUXRJQBO-XJKSGUPXSA-N -1 3 314.433 3.574 20 0 DHADHM CCCCc1ccc(N(C)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000188282205 1028503664 /nfs/dbraw/zinc/50/36/64/1028503664.db2.gz XZTCCVJTSQRJOI-UHFFFAOYSA-N -1 3 308.385 3.577 20 0 DHADHM CC1(C)CC[C@H](C/N=C/c2cc(Br)ccc2[O-])O1 ZINC000189353636 1028573427 /nfs/dbraw/zinc/57/34/27/1028573427.db2.gz KLCRDSCMNUYVBN-GGNJANJASA-N -1 3 312.207 3.531 20 0 DHADHM CC(C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)=C1CCCC1 ZINC000370283892 1028586120 /nfs/dbraw/zinc/58/61/20/1028586120.db2.gz VUWYMISMUTYVSW-UHFFFAOYSA-N -1 3 323.396 3.987 20 0 DHADHM CC(C)(F)c1cc([N-]C(=O)c2cc(F)c(F)cc2F)no1 ZINC001135195456 1028621583 /nfs/dbraw/zinc/62/15/83/1028621583.db2.gz UBRHUYMJULVQMA-UHFFFAOYSA-N -1 3 302.227 3.549 20 0 DHADHM CCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000566687200 1028766044 /nfs/dbraw/zinc/76/60/44/1028766044.db2.gz HHTPTUUTWCPJLX-UHFFFAOYSA-N -1 3 317.776 3.528 20 0 DHADHM Cc1cn2c(/C=C/C(=O)c3ccc([O-])c(C)c3)c(C)nc2s1 ZINC000077166033 1028786154 /nfs/dbraw/zinc/78/61/54/1028786154.db2.gz QCWUQTRBAAZQRJ-FNORWQNLSA-N -1 3 312.394 3.923 20 0 DHADHM CCc1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c([O-])c1 ZINC000566999148 1028819408 /nfs/dbraw/zinc/81/94/08/1028819408.db2.gz QQDXMJOTOVIYRC-CQSZACIVSA-N -1 3 322.364 3.919 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC(c3ncco3)CC2)c([O-])c1 ZINC000627947098 1028838217 /nfs/dbraw/zinc/83/82/17/1028838217.db2.gz PLBQIGDUSCGJGK-UHFFFAOYSA-N -1 3 314.385 3.523 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCC3(F)F)n[n-]2)o1 ZINC000816392120 1028838618 /nfs/dbraw/zinc/83/86/18/1028838618.db2.gz TVXWTGQHMBWLLV-JTQLQIEISA-N -1 3 310.300 3.570 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCC3(F)F)[n-]n2)o1 ZINC000816392120 1028838633 /nfs/dbraw/zinc/83/86/33/1028838633.db2.gz TVXWTGQHMBWLLV-JTQLQIEISA-N -1 3 310.300 3.570 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCC3(F)F)n[n-]2)o1 ZINC000816392121 1028839318 /nfs/dbraw/zinc/83/93/18/1028839318.db2.gz TVXWTGQHMBWLLV-SNVBAGLBSA-N -1 3 310.300 3.570 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCC3(F)F)[n-]n2)o1 ZINC000816392121 1028839322 /nfs/dbraw/zinc/83/93/22/1028839322.db2.gz TVXWTGQHMBWLLV-SNVBAGLBSA-N -1 3 310.300 3.570 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000628010907 1028859985 /nfs/dbraw/zinc/85/99/85/1028859985.db2.gz GSHMUMXSRXRHMN-CYBMUJFWSA-N -1 3 313.372 3.642 20 0 DHADHM O=C([N-]OCCC(F)(F)F)C1(Cc2cccc(F)c2)CCC1 ZINC000779326299 1028980177 /nfs/dbraw/zinc/98/01/77/1028980177.db2.gz LLEFXUQYPDPYLS-UHFFFAOYSA-N -1 3 319.298 3.539 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000816976785 1029045148 /nfs/dbraw/zinc/04/51/48/1029045148.db2.gz KESRROZWOIMKSA-NSHDSACASA-N -1 3 324.471 3.872 20 0 DHADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)[N-]OC1CCCCC1 ZINC000779322727 1029094114 /nfs/dbraw/zinc/09/41/14/1029094114.db2.gz WSQQVUMLPFMHEZ-UHFFFAOYSA-N -1 3 312.413 3.995 20 0 DHADHM CN(C(=O)c1cc([O-])cc(Br)c1)C1(C)CCCC1 ZINC000529203526 1029146852 /nfs/dbraw/zinc/14/68/52/1029146852.db2.gz SGRQXKHQEWQECF-UHFFFAOYSA-N -1 3 312.207 3.559 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cccc(Cl)c1 ZINC000817704578 1029230261 /nfs/dbraw/zinc/23/02/61/1029230261.db2.gz OBJFIQAZHVBWAN-UHFFFAOYSA-N -1 3 319.769 3.923 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1nc2cnccc2s1 ZINC001135999218 1029249546 /nfs/dbraw/zinc/24/95/46/1029249546.db2.gz DAPOIUAWESOIRL-UHFFFAOYSA-N -1 3 301.396 3.666 20 0 DHADHM CCCN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CCc2ccccc21 ZINC000817918191 1029276596 /nfs/dbraw/zinc/27/65/96/1029276596.db2.gz WXHRBMREGLEOBE-QGZVFWFLSA-N -1 3 310.397 3.514 20 0 DHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817939870 1029283033 /nfs/dbraw/zinc/28/30/33/1029283033.db2.gz CVBUSCXRMJTISS-QGZVFWFLSA-N -1 3 310.397 3.650 20 0 DHADHM CCCN(C)c1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000629225274 1029283214 /nfs/dbraw/zinc/28/32/14/1029283214.db2.gz QBOHNEQLWWAAAE-UHFFFAOYSA-N -1 3 312.417 3.518 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)c([O-])c1 ZINC000817997260 1029303940 /nfs/dbraw/zinc/30/39/40/1029303940.db2.gz LEBSEQLSRBAXCG-INIZCTEOSA-N -1 3 316.445 3.940 20 0 DHADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)C1(F)F ZINC000629364843 1029311662 /nfs/dbraw/zinc/31/16/62/1029311662.db2.gz PCYHCLPPAFWFDV-GIPNMCIBSA-N -1 3 317.763 3.689 20 0 DHADHM CC(C)(C)c1csc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)n1 ZINC000629378959 1029319401 /nfs/dbraw/zinc/31/94/01/1029319401.db2.gz VQODGMCPVIQEMD-RWMBFGLXSA-N -1 3 322.474 3.516 20 0 DHADHM O=C([O-])c1cnc2ccccc2c1N1CCCC(F)(F)CC1 ZINC000629384165 1029324272 /nfs/dbraw/zinc/32/42/72/1029324272.db2.gz KNDYOVUBWSLZHR-UHFFFAOYSA-N -1 3 306.312 3.559 20 0 DHADHM Cc1c([O-])ccc2c(CSCc3ccco3)cc(=O)oc12 ZINC000078338635 1029375916 /nfs/dbraw/zinc/37/59/16/1029375916.db2.gz BWYIHTIQVFWSNU-UHFFFAOYSA-N -1 3 302.351 3.833 20 0 DHADHM CC(C)(C)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000450466838 1029496169 /nfs/dbraw/zinc/49/61/69/1029496169.db2.gz JWVYHFCBEICOAJ-LBPRGKRZSA-N -1 3 321.314 3.557 20 0 DHADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219318 1029563631 /nfs/dbraw/zinc/56/36/31/1029563631.db2.gz PZDBOECTNZRIGY-KOLCDFICSA-N -1 3 312.207 3.920 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1cc(Br)cs1 ZINC000794842896 1029905117 /nfs/dbraw/zinc/90/51/17/1029905117.db2.gz NSGQDRSJYSIJJS-VIFPVBQESA-N -1 3 320.252 3.537 20 0 DHADHM O=C(CC1=CCCCC1)Nc1cc(Br)ccc1[O-] ZINC000530678252 1029969062 /nfs/dbraw/zinc/96/90/62/1029969062.db2.gz ITACPJCBGOPDFC-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM COc1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557183729 1030042702 /nfs/dbraw/zinc/04/27/02/1030042702.db2.gz NGVQEGKHCJRFMV-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM Cc1ccc(C)c(OCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557183476 1030042800 /nfs/dbraw/zinc/04/28/00/1030042800.db2.gz JMBSRSLQAIFBTK-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM Cc1ccnc(-c2cccc(NC(=O)c3c(C)cccc3[O-])c2)n1 ZINC001136756333 1030352047 /nfs/dbraw/zinc/35/20/47/1030352047.db2.gz CFRRLXYNCRHOQU-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CC(C)c1ccc(C(=O)NC[C@H](C)Oc2ccccc2)c([O-])c1 ZINC001136814371 1030460319 /nfs/dbraw/zinc/46/03/19/1030460319.db2.gz BZGCFORZTJVRDJ-AWEZNQCLSA-N -1 3 313.397 3.713 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2c(Cl)ccc(Cl)c2Cl)S1 ZINC000206834643 1030473206 /nfs/dbraw/zinc/47/32/06/1030473206.db2.gz IGAKPZUHZYZWKU-XVNBXDOJSA-N -1 3 308.573 3.971 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC001136836282 1030495961 /nfs/dbraw/zinc/49/59/61/1030495961.db2.gz XDTSPHPEXMVRAH-SECBINFHSA-N -1 3 323.364 3.883 20 0 DHADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)cc2[O-])C12CCCCC2 ZINC001136841657 1030510015 /nfs/dbraw/zinc/51/00/15/1030510015.db2.gz FJCZFPRPAKHMKA-SJORKVTESA-N -1 3 317.429 3.558 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000558386143 1030552784 /nfs/dbraw/zinc/55/27/84/1030552784.db2.gz NZZIVGOLICOCNJ-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM Cc1ccc(NC(=O)c2c(C)cccc2[O-])cc1OC(F)F ZINC001136887006 1030576679 /nfs/dbraw/zinc/57/66/79/1030576679.db2.gz GCPNUFVRZZATCU-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(C)nc2C(F)F)CC)n1 ZINC000291645472 1030582034 /nfs/dbraw/zinc/58/20/34/1030582034.db2.gz UELZQXNSYQMUHU-YFHOEESVSA-N -1 3 322.359 3.756 20 0 DHADHM C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc(F)c1 ZINC000926142541 1030631512 /nfs/dbraw/zinc/63/15/12/1030631512.db2.gz KURVJZZCIQVKDR-XLKFXECMSA-N -1 3 309.287 3.594 20 0 DHADHM COc1ccc(Nc2ccc([O-])c(F)c2F)c2ccncc12 ZINC001212013906 1030662163 /nfs/dbraw/zinc/66/21/63/1030662163.db2.gz PEAXBXNCAVFMIO-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CCN(CC)C(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212016594 1030674760 /nfs/dbraw/zinc/67/47/60/1030674760.db2.gz XKRZVAFQJRXAKD-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000247845504 1030708054 /nfs/dbraw/zinc/70/80/54/1030708054.db2.gz DGHDTCQBLDQGQJ-NWDGAFQWSA-N -1 3 322.286 3.548 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CCCc3ccc(C)cc3)n[n-]2)o1 ZINC000359017755 1030730592 /nfs/dbraw/zinc/73/05/92/1030730592.db2.gz KWLXQIYTDUVCBM-UHFFFAOYSA-N -1 3 324.384 3.643 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000292046849 1030775387 /nfs/dbraw/zinc/77/53/87/1030775387.db2.gz FHPLCAYFHGIIMB-GFCCVEGCSA-N -1 3 320.364 3.507 20 0 DHADHM Cc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1[O-] ZINC000843519699 1030848253 /nfs/dbraw/zinc/84/82/53/1030848253.db2.gz CKVYFCZRKDCCGE-UHFFFAOYSA-N -1 3 317.414 3.852 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c1[O-] ZINC000843889211 1030886781 /nfs/dbraw/zinc/88/67/81/1030886781.db2.gz LPJBKGPTFHSUOV-ZDUSSCGKSA-N -1 3 316.184 3.507 20 0 DHADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1cncc([O-])c1 ZINC001143695717 1030908508 /nfs/dbraw/zinc/90/85/08/1030908508.db2.gz DCKWBEBWUPYDHQ-UHFFFAOYSA-N -1 3 318.376 3.948 20 0 DHADHM CCCO[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000844087592 1030951506 /nfs/dbraw/zinc/95/15/06/1030951506.db2.gz CEAJMSGPMCVUGY-SECBINFHSA-N -1 3 318.186 3.540 20 0 DHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CCCC1 ZINC001212079666 1031000647 /nfs/dbraw/zinc/00/06/47/1031000647.db2.gz DOXDBJHDHMYPPY-UHFFFAOYSA-N -1 3 319.879 3.816 20 0 DHADHM Cc1cccc(CC(=O)[N-]OCCCC(F)(F)F)c1Cl ZINC000871214462 1031164629 /nfs/dbraw/zinc/16/46/29/1031164629.db2.gz GODXTANGYYRKEQ-UHFFFAOYSA-N -1 3 309.715 3.581 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc([S@@](C)=O)cc1 ZINC000292744154 1031154084 /nfs/dbraw/zinc/15/40/84/1031154084.db2.gz APFOTVMMRDFBBB-WSVYEEACSA-N -1 3 323.845 3.634 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCCCC(F)(F)F)c(Cl)c1 ZINC000871212949 1031162974 /nfs/dbraw/zinc/16/29/74/1031162974.db2.gz GQYOGLPZCUXPOE-UHFFFAOYSA-N -1 3 309.715 3.581 20 0 DHADHM CC(C)c1ccc(C(=O)NOCCCC(F)(F)F)c([O-])c1 ZINC000871213911 1031165244 /nfs/dbraw/zinc/16/52/44/1031165244.db2.gz AURPGHWBQXOBOL-UHFFFAOYSA-N -1 3 305.296 3.520 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(CCC1CCCCC1)CC2 ZINC000871620865 1031249195 /nfs/dbraw/zinc/24/91/95/1031249195.db2.gz NHHCGYFWEVCWEJ-UHFFFAOYSA-N -1 3 317.429 3.722 20 0 DHADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC000872019210 1031403578 /nfs/dbraw/zinc/40/35/78/1031403578.db2.gz UOZLGYASBIABFA-RYUDHWBXSA-N -1 3 317.360 3.714 20 0 DHADHM CC(C)Oc1ncccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872022475 1031406218 /nfs/dbraw/zinc/40/62/18/1031406218.db2.gz IXLUIXFMNVTKQZ-LBPRGKRZSA-N -1 3 304.365 3.564 20 0 DHADHM CCC(=O)Nc1cccc(CN[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872025273 1031410476 /nfs/dbraw/zinc/41/04/76/1031410476.db2.gz JPEIVMZWKDZARX-LBPRGKRZSA-N -1 3 316.376 3.731 20 0 DHADHM CCN(C)c1ccccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872034196 1031419113 /nfs/dbraw/zinc/41/91/13/1031419113.db2.gz MIJKSNJPOQHVSY-CYBMUJFWSA-N -1 3 302.393 3.838 20 0 DHADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872046601 1031433247 /nfs/dbraw/zinc/43/32/47/1031433247.db2.gz JLKBCPBDNBDXQC-WFASDCNBSA-N -1 3 301.361 3.932 20 0 DHADHM COc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872045047 1031434163 /nfs/dbraw/zinc/43/41/63/1031434163.db2.gz HVPZNJZFFJERNL-BXUZGUMPSA-N -1 3 317.360 3.714 20 0 DHADHM C[C@@H](NCc1ccc2c(n1)CCCC2)c1cccc([O-])c1F ZINC000872065753 1031460244 /nfs/dbraw/zinc/46/02/44/1031460244.db2.gz AZSIGLBIUOKXJP-GFCCVEGCSA-N -1 3 300.377 3.656 20 0 DHADHM CCSc1cc(CN[C@@H](C)c2cccc([O-])c2F)ccn1 ZINC000872064499 1031460855 /nfs/dbraw/zinc/46/08/55/1031460855.db2.gz HNIBSLZMCFDLIW-NSHDSACASA-N -1 3 306.406 3.889 20 0 DHADHM CCCCC[C@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000929891521 1031640267 /nfs/dbraw/zinc/64/02/67/1031640267.db2.gz QWNLFCCTKRISCT-JTQLQIEISA-N -1 3 322.355 3.505 20 0 DHADHM CN(CCc1cccc(Cl)c1)Cc1c(F)cc([O-])cc1F ZINC001144555065 1031701672 /nfs/dbraw/zinc/70/16/72/1031701672.db2.gz TZUFCTKBSWNKCD-UHFFFAOYSA-N -1 3 311.759 3.998 20 0 DHADHM O=C(OCc1ncc(C2CC2)o1)c1cc(Cl)c(Cl)[n-]1 ZINC000760481715 1031731062 /nfs/dbraw/zinc/73/10/62/1031731062.db2.gz FHGXAZZIHIHFKX-UHFFFAOYSA-N -1 3 301.129 3.544 20 0 DHADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000476156705 1031740936 /nfs/dbraw/zinc/74/09/36/1031740936.db2.gz MUSYSGQAAWPMDG-YFKPBYRVSA-N -1 3 301.186 3.548 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001144654092 1031790595 /nfs/dbraw/zinc/79/05/95/1031790595.db2.gz ZIPAXFCSEOVWKF-HDJSIYSDSA-N -1 3 303.402 3.996 20 0 DHADHM [O-]c1cc(F)c(CN2CCC(c3cccc(O)c3)CC2)cc1F ZINC001144664133 1031799471 /nfs/dbraw/zinc/79/94/71/1031799471.db2.gz WOXPETCVIRRNSY-UHFFFAOYSA-N -1 3 319.351 3.756 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000626404494 1031865051 /nfs/dbraw/zinc/86/50/51/1031865051.db2.gz GCQRXCKSKSWKEC-QWRGUYRKSA-N -1 3 301.308 3.504 20 0 DHADHM C/C(=C\CN1CC=C(c2cccc3ccccc32)CC1)C(=O)[O-] ZINC000846244411 1031939679 /nfs/dbraw/zinc/93/96/79/1031939679.db2.gz VREHRJGOJZQIOP-OQLLNIDSSA-N -1 3 307.393 3.960 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC000874133970 1031979643 /nfs/dbraw/zinc/97/96/43/1031979643.db2.gz GGUCSHUUYMSRQS-UHFFFAOYSA-N -1 3 317.386 3.988 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1cnn(CC2CCC2)c1 ZINC000898183064 1031985635 /nfs/dbraw/zinc/98/56/35/1031985635.db2.gz XXKOJXUXDSIHCW-LBPRGKRZSA-N -1 3 319.836 3.893 20 0 DHADHM CCC(=CC(=O)NCc1ccc([O-])c(Br)c1)CC ZINC000151527036 1033460630 /nfs/dbraw/zinc/46/06/30/1033460630.db2.gz FDZAOKWSTJUOAG-UHFFFAOYSA-N -1 3 312.207 3.517 20 0 DHADHM O=C1N[C@H](c2ccc([O-])cc2F)Nc2c3ccccc3sc21 ZINC000877855707 1033488174 /nfs/dbraw/zinc/48/81/74/1033488174.db2.gz TZNQNHGDNDIYFH-OAHLLOKOSA-N -1 3 314.341 3.600 20 0 DHADHM [O-]c1cc(Nc2ccc(Cn3ccnc3)cc2)c(F)cc1F ZINC001212696829 1033501643 /nfs/dbraw/zinc/50/16/43/1033501643.db2.gz OSPGPHSNBLPJRT-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2cncc([O-])c2)n1 ZINC001212708621 1033572565 /nfs/dbraw/zinc/57/25/65/1033572565.db2.gz MBSUVRFCVUABOX-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM [O-]c1cncc(-c2nc(-c3cccc(Cl)c3Cl)no2)c1 ZINC001212708513 1033572950 /nfs/dbraw/zinc/57/29/50/1033572950.db2.gz KRNKZXMCZACGLE-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C1=CCCCC1 ZINC000478923856 1033611519 /nfs/dbraw/zinc/61/15/19/1033611519.db2.gz PFMFRFLYTXNOOM-UHFFFAOYSA-N -1 3 324.424 3.785 20 0 DHADHM CC(=O)c1ccc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)cc1[O-] ZINC000667453962 1033693471 /nfs/dbraw/zinc/69/34/71/1033693471.db2.gz ZJCZEUOIJMGMGL-ZDUSSCGKSA-N -1 3 323.392 3.961 20 0 DHADHM Cc1cc(C(=O)N(C)C)ccc1Nc1ccc([O-])c(Cl)c1 ZINC001212731599 1033751842 /nfs/dbraw/zinc/75/18/42/1033751842.db2.gz QYSTYHLPNUZEEP-UHFFFAOYSA-N -1 3 304.777 3.799 20 0 DHADHM O=C([N-]c1cccc2nonc21)c1ccc(Oc2ccccc2)o1 ZINC000773382481 1033757284 /nfs/dbraw/zinc/75/72/84/1033757284.db2.gz ICFTZRAFKIWYLA-UHFFFAOYSA-N -1 3 321.292 3.860 20 0 DHADHM COc1cc(Nc2ccc([O-])c(Cl)c2)cc(OC)c1OC ZINC001173906606 1033937823 /nfs/dbraw/zinc/93/78/23/1033937823.db2.gz RWSILPLZUIXLKC-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM COc1cc(OC)c(Nc2cccc([O-])c2Cl)c(OC)c1 ZINC001173910248 1033942688 /nfs/dbraw/zinc/94/26/88/1033942688.db2.gz MACGIMCTNQKLPM-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM Cc1ccc(Nc2cccc(S(C)(=O)=O)c2)c(Cl)c1[O-] ZINC001174028416 1034082330 /nfs/dbraw/zinc/08/23/30/1034082330.db2.gz VFIAXFNKHBOTCH-UHFFFAOYSA-N -1 3 311.790 3.501 20 0 DHADHM O=C(c1cccc(Nc2cc(F)c([O-])c(F)c2)c1)N1CCCC1 ZINC001174171365 1034196585 /nfs/dbraw/zinc/19/65/85/1034196585.db2.gz QSSWOHURIRSBBB-UHFFFAOYSA-N -1 3 318.323 3.650 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174188322 1034206341 /nfs/dbraw/zinc/20/63/41/1034206341.db2.gz XTDRUARBHAOMEX-UHFFFAOYSA-N -1 3 304.777 3.927 20 0 DHADHM CC(=O)c1c(C)oc2ncnc([N-]c3nc(C4CC4)cs3)c21 ZINC000178861487 1034271180 /nfs/dbraw/zinc/27/11/80/1034271180.db2.gz AXINRVSFVGZIGM-UHFFFAOYSA-N -1 3 314.370 3.811 20 0 DHADHM Cc1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)oc1C(=O)[O-] ZINC000864051093 1034278110 /nfs/dbraw/zinc/27/81/10/1034278110.db2.gz AGSMKOUDMXJAHM-ZIAGYGMSSA-N -1 3 321.417 3.502 20 0 DHADHM CCc1nc(CNC[C@H](CC(=O)[O-])[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000864532846 1034380560 /nfs/dbraw/zinc/38/05/60/1034380560.db2.gz IUFJFHLYGVVULB-MCIONIFRSA-N -1 3 324.490 3.712 20 0 DHADHM O=c1cc(Nc2ccc(N3CCCC3)cc2)[n-]n1-c1ccccc1 ZINC001174526697 1034442807 /nfs/dbraw/zinc/44/28/07/1034442807.db2.gz WDQLOVLQQURSHH-UHFFFAOYSA-N -1 3 320.396 3.922 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1F ZINC000880892767 1034471628 /nfs/dbraw/zinc/47/16/28/1034471628.db2.gz RIMQQGNZVWMJEV-SNVBAGLBSA-N -1 3 323.151 3.712 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1F ZINC000880892767 1034471621 /nfs/dbraw/zinc/47/16/21/1034471621.db2.gz RIMQQGNZVWMJEV-SNVBAGLBSA-N -1 3 323.151 3.712 20 0 DHADHM CCNC(=O)Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174519780 1034476204 /nfs/dbraw/zinc/47/62/04/1034476204.db2.gz SZMBSYYQKPJDHA-UHFFFAOYSA-N -1 3 307.300 3.555 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000184647984 1034489836 /nfs/dbraw/zinc/48/98/36/1034489836.db2.gz HNSHSUZLIJMXPU-UHFFFAOYSA-N -1 3 320.414 3.964 20 0 DHADHM COc1cc(Nc2cc(=O)[n-]n2C2CCCC2)cc(F)c1F ZINC001174583963 1034490416 /nfs/dbraw/zinc/49/04/16/1034490416.db2.gz ZXSXQEXGCSKBIU-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM [O-]c1cccc2sc(Nc3cnn([C@@H]4CCCCO4)c3)nc21 ZINC001174599664 1034529529 /nfs/dbraw/zinc/52/95/29/1034529529.db2.gz PGBMLIXAJODFBV-ZDUSSCGKSA-N -1 3 316.386 3.641 20 0 DHADHM CC(C)Oc1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001174763597 1034595773 /nfs/dbraw/zinc/59/57/73/1034595773.db2.gz YRCWNQRBIQANED-UHFFFAOYSA-N -1 3 301.371 3.928 20 0 DHADHM [O-]c1ccc(CNCc2csc(-c3ccccc3)n2)cc1F ZINC000120502267 1034596866 /nfs/dbraw/zinc/59/68/66/1034596866.db2.gz LGSAHLGEHTUKLM-UHFFFAOYSA-N -1 3 314.385 3.945 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186280088 1034615786 /nfs/dbraw/zinc/61/57/86/1034615786.db2.gz AWEAYNTVRODASL-LBPRGKRZSA-N -1 3 309.365 3.749 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(F)cc2C)CC)n1 ZINC000899371711 1034618429 /nfs/dbraw/zinc/61/84/29/1034618429.db2.gz JOUZIJPVDNTRBI-WQLSENKSSA-N -1 3 301.365 3.928 20 0 DHADHM C[C@]1(c2ccccc2)CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000882025487 1034722321 /nfs/dbraw/zinc/72/23/21/1034722321.db2.gz DRRCVINVLUYUNU-LJQANCHMSA-N -1 3 313.372 3.612 20 0 DHADHM [O-]c1cc(F)c(Nc2cccc(Cn3ccnc3)c2)c(F)c1 ZINC001175100316 1034780788 /nfs/dbraw/zinc/78/07/88/1034780788.db2.gz PJCBCBCBHPGXAP-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM CCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001175100456 1034781766 /nfs/dbraw/zinc/78/17/66/1034781766.db2.gz NQJIAHMJHFDUMW-UHFFFAOYSA-N -1 3 311.259 3.730 20 0 DHADHM CCN(CC)C(=O)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175101994 1034784813 /nfs/dbraw/zinc/78/48/13/1034784813.db2.gz BZVYDWLKYDTNCM-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM COc1ccc(C(C)=O)c(Nc2c(F)cc([O-])cc2F)c1C ZINC001175096634 1034811886 /nfs/dbraw/zinc/81/18/86/1034811886.db2.gz GPOLIDBLBQIHES-UHFFFAOYSA-N -1 3 307.296 3.934 20 0 DHADHM Cc1ccc(-c2cnc(CCC(=O)[N-]Oc3ccccc3)o2)cc1 ZINC000773462021 1034820811 /nfs/dbraw/zinc/82/08/11/1034820811.db2.gz PVYFZGQDCDXFCL-UHFFFAOYSA-N -1 3 322.364 3.693 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(COC)c2)CC)n1 ZINC000193615613 1034849083 /nfs/dbraw/zinc/84/90/83/1034849083.db2.gz VUNGSMPWTZUVHT-LFIBNONCSA-N -1 3 312.413 3.819 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cccc(O[C@@H]2CCCCO2)c1 ZINC001175186659 1034862150 /nfs/dbraw/zinc/86/21/50/1034862150.db2.gz IQAVWFJCGDRGOY-OAHLLOKOSA-N -1 3 304.321 3.575 20 0 DHADHM Cc1nc(Cl)c(Nc2c(F)ccc([O-])c2F)c(Cl)n1 ZINC001175262468 1034911557 /nfs/dbraw/zinc/91/15/57/1034911557.db2.gz FWFCBVYXNFXIMQ-UHFFFAOYSA-N -1 3 306.099 3.819 20 0 DHADHM Cc1ccc(Br)c(Nc2c(F)ccc([O-])c2F)n1 ZINC001175262037 1034912278 /nfs/dbraw/zinc/91/22/78/1034912278.db2.gz YRZCGLCXYCHLNW-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2cnccc2OC(F)(F)F)c1F ZINC001175266665 1034914543 /nfs/dbraw/zinc/91/45/43/1034914543.db2.gz WDQUBKVEPUKJEM-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(Oc3ncccn3)cc2)c1F ZINC001175268102 1034914802 /nfs/dbraw/zinc/91/48/02/1034914802.db2.gz HNGMJSIALLMIAV-UHFFFAOYSA-N -1 3 315.279 3.996 20 0 DHADHM Nc1ccc(OC(F)(F)F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175269133 1034916501 /nfs/dbraw/zinc/91/65/01/1034916501.db2.gz DGVFYKKDAICJKR-UHFFFAOYSA-N -1 3 320.217 3.895 20 0 DHADHM O=C1c2cc(Nc3c(F)ccc([O-])c3F)ccc2CN1C1CC1 ZINC001175270655 1034916532 /nfs/dbraw/zinc/91/65/32/1034916532.db2.gz GNCSTXYZIWZSQD-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM COCCOc1c(F)cccc1Nc1c(F)ccc([O-])c1F ZINC001175271092 1034918316 /nfs/dbraw/zinc/91/83/16/1034918316.db2.gz RPRULNZIWVSPJR-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2ccc(C3CC3)cc2F)cc1[O-] ZINC001175322840 1034934190 /nfs/dbraw/zinc/93/41/90/1034934190.db2.gz VWCFCORSSGNQCH-UHFFFAOYSA-N -1 3 313.328 3.864 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175383385 1034963525 /nfs/dbraw/zinc/96/35/25/1034963525.db2.gz XLSPELFPQIPNHP-UHFFFAOYSA-N -1 3 310.609 3.880 20 0 DHADHM c1coc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC001175429850 1034977517 /nfs/dbraw/zinc/97/75/17/1034977517.db2.gz RLXPWNBOASCQOI-UHFFFAOYSA-N -1 3 303.325 3.870 20 0 DHADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC001175428928 1034979271 /nfs/dbraw/zinc/97/92/71/1034979271.db2.gz RBKXQFORFIXPAJ-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC001175428931 1034979361 /nfs/dbraw/zinc/97/93/61/1034979361.db2.gz BOEHHULFHDGDOB-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Cc1nc2cc(Nc3ccc(-c4nn[n-]n4)cc3)c(C)cc2s1 ZINC001175432853 1034981006 /nfs/dbraw/zinc/98/10/06/1034981006.db2.gz MSSVDWZYOCSSTD-UHFFFAOYSA-N -1 3 322.397 3.837 20 0 DHADHM CC(C)Oc1ccc(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431599 1034981243 /nfs/dbraw/zinc/98/12/43/1034981243.db2.gz JZALCFLWUUCMJK-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM c1ccc(-c2cccnc2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175431306 1034981250 /nfs/dbraw/zinc/98/12/50/1034981250.db2.gz BYGIZHXHRLNORY-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM CC(C)C[C@@](C)(CNCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000900051812 1035033054 /nfs/dbraw/zinc/03/30/54/1035033054.db2.gz JRAMJVROYUWXFQ-SFHVURJKSA-N -1 3 316.401 3.568 20 0 DHADHM [O-]c1cc(F)c(Nc2ccnc(Br)c2)cc1F ZINC001175750092 1035103460 /nfs/dbraw/zinc/10/34/60/1035103460.db2.gz NHLFBCINXLVLSY-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001176467310 1035275200 /nfs/dbraw/zinc/27/52/00/1035275200.db2.gz VILLYCNWOIDMHW-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1cnc(N2CCCCC2)nc1 ZINC001176507460 1035284251 /nfs/dbraw/zinc/28/42/51/1035284251.db2.gz LMUVHGDJALHWCK-UHFFFAOYSA-N -1 3 304.781 3.570 20 0 DHADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000668314544 1035319225 /nfs/dbraw/zinc/31/92/25/1035319225.db2.gz RUDADFZQVXDDLU-RYUDHWBXSA-N -1 3 303.402 3.634 20 0 DHADHM O=C(Nc1cccc2ccsc21)c1cc2c(cc1[O-])OCO2 ZINC000436488419 1035329345 /nfs/dbraw/zinc/32/93/45/1035329345.db2.gz VURRDVLDPGJXHZ-UHFFFAOYSA-N -1 3 313.334 3.588 20 0 DHADHM CCC[C@H](CCCCNCc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC000904019126 1035340878 /nfs/dbraw/zinc/34/08/78/1035340878.db2.gz ZAKRSBUWYCEBPL-GFCCVEGCSA-N -1 3 322.380 3.728 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1c2cc[nH]c2ccc1F ZINC001204259060 1035547539 /nfs/dbraw/zinc/54/75/39/1035547539.db2.gz GYLRKGIZXPKKDU-UHFFFAOYSA-N -1 3 322.137 3.914 20 0 DHADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000457659123 1035577860 /nfs/dbraw/zinc/57/78/60/1035577860.db2.gz LQHIYWQYZRHJOH-LURJTMIESA-N -1 3 315.213 3.938 20 0 DHADHM CCC1(CC)CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000190412377 1035617730 /nfs/dbraw/zinc/61/77/30/1035617730.db2.gz MFOIGRUCCACXBE-UHFFFAOYSA-N -1 3 319.474 3.777 20 0 DHADHM C[C@H](CCCC(C)(C)C(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000905732190 1035633027 /nfs/dbraw/zinc/63/30/27/1035633027.db2.gz XXLBVIJTDDUZQK-GFCCVEGCSA-N -1 3 324.490 3.781 20 0 DHADHM COc1ccc([C@H](NCc2ccoc2C(=O)[O-])C2CCC2)cc1 ZINC000905753289 1035646033 /nfs/dbraw/zinc/64/60/33/1035646033.db2.gz ZIMYOCXRGWCANY-MRXNPFEDSA-N -1 3 315.369 3.617 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)CC2CCC2)c(C(F)(F)F)c1 ZINC001193515692 1035657100 /nfs/dbraw/zinc/65/71/00/1035657100.db2.gz UBTYTHHOLAIURR-UHFFFAOYSA-N -1 3 307.337 3.556 20 0 DHADHM Cc1oc(CN[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1C(=O)[O-] ZINC000905790685 1035653791 /nfs/dbraw/zinc/65/37/91/1035653791.db2.gz VBRCIPUTOBTDKC-UMSPYCQHSA-N -1 3 321.323 3.600 20 0 DHADHM Cc1cc(F)ncc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193734121 1035710567 /nfs/dbraw/zinc/71/05/67/1035710567.db2.gz RKJDQASYPUIKSX-UHFFFAOYSA-N -1 3 314.238 3.506 20 0 DHADHM Cc1cc([O-])c(NC(=O)OCC(C)C)cc1Br ZINC001193840389 1035736552 /nfs/dbraw/zinc/73/65/52/1035736552.db2.gz OIXOYBWDSXXYQY-UHFFFAOYSA-N -1 3 302.168 3.668 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc2cc(F)ccc2c1 ZINC001193937897 1035764294 /nfs/dbraw/zinc/76/42/94/1035764294.db2.gz ZYUXBEHJVJQDDP-UHFFFAOYSA-N -1 3 311.312 3.951 20 0 DHADHM CC[C@@H](NC(=O)c1c(C)cc(O)cc1[O-])c1ccc(F)c(F)c1 ZINC001193953641 1035771255 /nfs/dbraw/zinc/77/12/55/1035771255.db2.gz YAEJCRBZJXJDDD-CQSZACIVSA-N -1 3 321.323 3.566 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1 ZINC000539845103 1035901027 /nfs/dbraw/zinc/90/10/27/1035901027.db2.gz UGBAWFWNCZCOQW-QGZVFWFLSA-N -1 3 309.409 3.584 20 0 DHADHM CCc1cccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1[O-] ZINC000539875953 1035913686 /nfs/dbraw/zinc/91/36/86/1035913686.db2.gz YFTDJTNVFGSVHI-UHFFFAOYSA-N -1 3 312.413 3.890 20 0 DHADHM COc1ccc(CN2CC(F)(F)C[C@@]2(C)CF)c(Cl)c1[O-] ZINC001233398092 1035952614 /nfs/dbraw/zinc/95/26/14/1035952614.db2.gz XXOOPMJDVIRZAU-ZDUSSCGKSA-N -1 3 323.742 3.623 20 0 DHADHM Cc1ccnc2cc(NC(=O)c3cnc(C(F)(F)F)[n-]3)ccc12 ZINC001194783819 1036019993 /nfs/dbraw/zinc/01/99/93/1036019993.db2.gz UMGYLLSFTJESPL-UHFFFAOYSA-N -1 3 320.274 3.537 20 0 DHADHM Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C2CCCC2)n1 ZINC000907092607 1036145090 /nfs/dbraw/zinc/14/50/90/1036145090.db2.gz JAENDJJURPVALJ-UHFFFAOYSA-N -1 3 319.792 3.689 20 0 DHADHM CN(C(=O)c1ccc(Cl)[n-]c1=O)C(C)(C)Cc1ccccc1 ZINC001195134932 1036147647 /nfs/dbraw/zinc/14/76/47/1036147647.db2.gz VOQYHZNMWRPJNK-UHFFFAOYSA-N -1 3 318.804 3.534 20 0 DHADHM O=C([N-]c1noc2cnccc21)c1cc(Cl)c(Cl)s1 ZINC001195170241 1036171065 /nfs/dbraw/zinc/17/10/65/1036171065.db2.gz YPOIQZWYSPASGJ-UHFFFAOYSA-N -1 3 314.153 3.843 20 0 DHADHM O=C(CCc1cnc2ccccc2c1)Nc1ccc(F)c([O-])c1 ZINC001182299469 1036191300 /nfs/dbraw/zinc/19/13/00/1036191300.db2.gz JMPZGZWSGFQZIP-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM C[C@H]1CCN(Cc2c(Cl)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303602 1036253897 /nfs/dbraw/zinc/25/38/97/1036253897.db2.gz FWIGFDHHQHWZFV-TVQRCGJNSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000486699765 1036367228 /nfs/dbraw/zinc/36/72/28/1036367228.db2.gz XTULVGPDLNLDTE-HOTGVXAUSA-N -1 3 319.426 3.593 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cc(F)ccc1F ZINC000914892303 1036441094 /nfs/dbraw/zinc/44/10/94/1036441094.db2.gz YARHWEKVLKLTMU-UHFFFAOYSA-N -1 3 321.304 3.547 20 0 DHADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccsc1 ZINC000669918373 1036464908 /nfs/dbraw/zinc/46/49/08/1036464908.db2.gz FMXYRJWUDUQXTB-NSHDSACASA-N -1 3 307.390 3.793 20 0 DHADHM CC1(C)CC[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183367325 1036584873 /nfs/dbraw/zinc/58/48/73/1036584873.db2.gz FCGYDVKWEQSDTL-LLVKDONJSA-N -1 3 310.357 3.593 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H](F)C2)c([O-])c1 ZINC001183763046 1036663797 /nfs/dbraw/zinc/66/37/97/1036663797.db2.gz HIXGHHNUQGKDGR-OLZOCXBDSA-N -1 3 309.381 3.582 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)c1[O-] ZINC001184071095 1036732001 /nfs/dbraw/zinc/73/20/01/1036732001.db2.gz QXYTWSWPFUSBOP-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM O=C(/C=C\c1cscn1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492299600 1036820975 /nfs/dbraw/zinc/82/09/75/1036820975.db2.gz NGQHPVZSCDWOCG-RQOWECAXSA-N -1 3 314.288 3.519 20 0 DHADHM Cc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000762554902 1036837641 /nfs/dbraw/zinc/83/76/41/1036837641.db2.gz JGMYGMNLAJVEFT-UHFFFAOYSA-N -1 3 319.792 3.828 20 0 DHADHM O=C(OCCOc1cccc(F)c1)c1cc(Cl)c(Cl)[n-]1 ZINC000915384642 1036865829 /nfs/dbraw/zinc/86/58/29/1036865829.db2.gz FEWCOORXOCZCMZ-UHFFFAOYSA-N -1 3 318.131 3.696 20 0 DHADHM C[C@@H](CCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000235096363 1036871638 /nfs/dbraw/zinc/87/16/38/1036871638.db2.gz DHDZAGVEVVYQJA-LBPRGKRZSA-N -1 3 303.789 3.797 20 0 DHADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235366408 1036893786 /nfs/dbraw/zinc/89/37/86/1036893786.db2.gz MLESXTIMOSKWJQ-NSHDSACASA-N -1 3 301.773 3.885 20 0 DHADHM Cc1ccccc1NC(=S)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001198403423 1037012824 /nfs/dbraw/zinc/01/28/24/1037012824.db2.gz JQXJAZPJXAMYBP-UHFFFAOYSA-N -1 3 324.409 3.695 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C2CC2)c(C)c1 ZINC001198896679 1037153472 /nfs/dbraw/zinc/15/34/72/1037153472.db2.gz WKQSCQSLFPNRMO-UHFFFAOYSA-N -1 3 317.410 3.682 20 0 DHADHM O=C(Nc1cncc([O-])c1)Nc1cc(C(F)(F)F)ccc1F ZINC001185587110 1037188377 /nfs/dbraw/zinc/18/83/77/1037188377.db2.gz SHIPBPMDPRWTIK-UHFFFAOYSA-N -1 3 315.226 3.589 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])N[C@H]1CCCc2ccccc21 ZINC001186453666 1037404419 /nfs/dbraw/zinc/40/44/19/1037404419.db2.gz VHGNVBXODJIPSJ-AWEZNQCLSA-N -1 3 300.333 3.730 20 0 DHADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C(=O)[O-])C1 ZINC000570456590 1037418430 /nfs/dbraw/zinc/41/84/30/1037418430.db2.gz GCAZSAYTGNOOGE-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CCc2ccc(F)cc2)c([O-])c1 ZINC000055369266 1037421639 /nfs/dbraw/zinc/42/16/39/1037421639.db2.gz LGWWNTUJRBBLLX-UHFFFAOYSA-N -1 3 315.388 3.969 20 0 DHADHM Cc1cccc(CO[N-]C(=O)Cc2coc3cc(C)c(C)cc23)n1 ZINC000912631247 1037468507 /nfs/dbraw/zinc/46/85/07/1037468507.db2.gz OPZDLZTXOHYOSE-UHFFFAOYSA-N -1 3 324.380 3.544 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC001186677308 1037475050 /nfs/dbraw/zinc/47/50/50/1037475050.db2.gz FZDOEZZEWHLKEV-UHFFFAOYSA-N -1 3 304.365 3.622 20 0 DHADHM Cc1cc(=O)[n-]c(CSCCCOc2ccc(Cl)cc2)n1 ZINC000763208783 1037478370 /nfs/dbraw/zinc/47/83/70/1037478370.db2.gz NUCDDEYSHJCWFY-UHFFFAOYSA-N -1 3 324.833 3.846 20 0 DHADHM CSc1ccc(OCCSCc2nc(C)cc(=O)[n-]2)cc1 ZINC000763209628 1037484951 /nfs/dbraw/zinc/48/49/51/1037484951.db2.gz SWKMONMYXFXZQL-UHFFFAOYSA-N -1 3 322.455 3.525 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2csc(C(C)(C)C)n2)n1 ZINC000763216205 1037504053 /nfs/dbraw/zinc/50/40/53/1037504053.db2.gz PHYFJBPUEXZFLG-UHFFFAOYSA-N -1 3 309.460 3.678 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CC1CCCCC1)C1CC1 ZINC000056112588 1037519679 /nfs/dbraw/zinc/51/96/79/1037519679.db2.gz VAUNKFADPBYLBS-UHFFFAOYSA-N -1 3 324.424 3.713 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001201158879 1037547457 /nfs/dbraw/zinc/54/74/57/1037547457.db2.gz AILHQFHRJCZQEB-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000648948252 1037565420 /nfs/dbraw/zinc/56/54/20/1037565420.db2.gz IRJHSKSNGSRXBC-NVXWUHKLSA-N -1 3 317.429 3.547 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCc2ccccc2)c1 ZINC000031615890 1037607020 /nfs/dbraw/zinc/60/70/20/1037607020.db2.gz JDQHPZJJACDBLF-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM O=C([N-]Cc1c(F)cccc1Cl)C(F)(F)c1ccccc1 ZINC000916046623 1037661642 /nfs/dbraw/zinc/66/16/42/1037661642.db2.gz WCQGCDLMWMMARD-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)OCO2 ZINC000328200166 1037691249 /nfs/dbraw/zinc/69/12/49/1037691249.db2.gz FWVSJUZKWHRNRW-JTQLQIEISA-N -1 3 305.761 3.625 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1cccnc1-c1ccccc1 ZINC001187822153 1037732047 /nfs/dbraw/zinc/73/20/47/1037732047.db2.gz BKKRDGFYCFGEEC-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(C)c(F)c2)c1[O-] ZINC001187989737 1037771293 /nfs/dbraw/zinc/77/12/93/1037771293.db2.gz MLLAHMQYIPNFIC-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(F)cc2OCC(F)F)c1 ZINC000185617794 1037822825 /nfs/dbraw/zinc/82/28/25/1037822825.db2.gz AZBSXEBBHFOPQS-UHFFFAOYSA-N -1 3 315.266 3.926 20 0 DHADHM COc1ccc(OC)c(NC(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001188349859 1037885116 /nfs/dbraw/zinc/88/51/16/1037885116.db2.gz KSCYZPYIJQIFFB-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM Cc1c(NC(=O)c2cccc(C)c2[O-])cnn1CCC(C)C ZINC000124446591 1037897787 /nfs/dbraw/zinc/89/77/87/1037897787.db2.gz PTKADTZLILTILH-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)c([O-])c1 ZINC000761606233 1037898780 /nfs/dbraw/zinc/89/87/80/1037898780.db2.gz BMUPKQHCPLCLEM-UHFFFAOYSA-N -1 3 318.336 3.808 20 0 DHADHM COc1ccc(NC(=O)Nc2c([O-])cccc2Cl)c(OC)c1 ZINC001188542168 1037925214 /nfs/dbraw/zinc/92/52/14/1037925214.db2.gz YHDXOYUFJZWITH-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM O=S(=O)([N-]c1c(Cl)cc(F)cc1C1CC1)c1ccoc1 ZINC001188616586 1037935292 /nfs/dbraw/zinc/93/52/92/1037935292.db2.gz CWEYNVHKKASZNV-UHFFFAOYSA-N -1 3 315.753 3.750 20 0 DHADHM COc1cnc2c(cccc2NC(=O)c2c(C)cccc2[O-])c1 ZINC001188655636 1037943804 /nfs/dbraw/zinc/94/38/04/1037943804.db2.gz SGKZVEBHVMEJRL-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c1NC(=O)CC2(C)C ZINC001188654566 1037944316 /nfs/dbraw/zinc/94/43/16/1037944316.db2.gz CKQOIGUBKJATIU-UHFFFAOYSA-N -1 3 324.380 3.573 20 0 DHADHM CN(Cc1csc2ccccc12)C(=O)c1c([O-])cccc1O ZINC000125677071 1037946864 /nfs/dbraw/zinc/94/68/64/1037946864.db2.gz FCVPKHVTMONWSF-UHFFFAOYSA-N -1 3 313.378 3.585 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000125772029 1037957537 /nfs/dbraw/zinc/95/75/37/1037957537.db2.gz CFLYGEPJLTXLHD-OAHLLOKOSA-N -1 3 311.381 3.508 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000648987958 1037971523 /nfs/dbraw/zinc/97/15/23/1037971523.db2.gz JUCAYOSXEMXYLP-QGZVFWFLSA-N -1 3 313.372 3.731 20 0 DHADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1c(F)cccc1F ZINC001202034576 1038009859 /nfs/dbraw/zinc/00/98/59/1038009859.db2.gz YVLVOSNLCPBSMF-UHFFFAOYSA-N -1 3 305.240 3.857 20 0 DHADHM O=C(Nc1cc(=O)[n-]c(C2CC2)n1)Nc1cccc2ccccc21 ZINC001188909877 1038014582 /nfs/dbraw/zinc/01/45/82/1038014582.db2.gz JOPVJWRCEZJPGE-UHFFFAOYSA-N -1 3 320.352 3.857 20 0 DHADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC000126144834 1038038248 /nfs/dbraw/zinc/03/82/48/1038038248.db2.gz YOJKFZAKJMLGOT-UHFFFAOYSA-N -1 3 321.373 3.528 20 0 DHADHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000044604097 1038058788 /nfs/dbraw/zinc/05/87/88/1038058788.db2.gz FKGBDEUCTCEJRG-UHFFFAOYSA-N -1 3 314.341 3.521 20 0 DHADHM Cc1ccccc1NC(=O)Nc1ncc([O-])cc1Br ZINC001202176290 1038082902 /nfs/dbraw/zinc/08/29/02/1038082902.db2.gz HODBTNBLTIDLEM-UHFFFAOYSA-N -1 3 322.162 3.502 20 0 DHADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001189604937 1038174113 /nfs/dbraw/zinc/17/41/13/1038174113.db2.gz RHJRUAZWGWOSAE-UWVGGRQHSA-N -1 3 322.257 3.708 20 0 DHADHM CC(C)Oc1cc(F)c(F)cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001212222762 1038196226 /nfs/dbraw/zinc/19/62/26/1038196226.db2.gz YVQPDDUCFDBUIX-UHFFFAOYSA-N -1 3 321.327 3.869 20 0 DHADHM Cc1nc(NC(=O)c2cccc(-c3ccccc3C)c2)cc(=O)[n-]1 ZINC001190291049 1038297359 /nfs/dbraw/zinc/29/73/59/1038297359.db2.gz UPFSPGPKWKHBHX-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(C)(C)C ZINC001190437929 1038318548 /nfs/dbraw/zinc/31/85/48/1038318548.db2.gz TZIVQNSXFMVIMH-CQSZACIVSA-N -1 3 319.417 3.766 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(C2CC2)cc1 ZINC001190464207 1038325896 /nfs/dbraw/zinc/32/58/96/1038325896.db2.gz OHDMHDBLLHQKCU-UHFFFAOYSA-N -1 3 309.337 3.643 20 0 DHADHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588923477 1038407040 /nfs/dbraw/zinc/40/70/40/1038407040.db2.gz DAHUAKOSGLGNSK-CYBMUJFWSA-N -1 3 314.385 3.625 20 0 DHADHM Cc1cccc(CNC(=O)Nc2nc3c(cccc3[O-])s2)c1 ZINC001190960356 1038409850 /nfs/dbraw/zinc/40/98/50/1038409850.db2.gz WJAVMJSQYKURFA-UHFFFAOYSA-N -1 3 313.382 3.632 20 0 DHADHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000190794081 1038553589 /nfs/dbraw/zinc/55/35/89/1038553589.db2.gz AKNKPKCAOVFIOD-SECBINFHSA-N -1 3 324.739 3.944 20 0 DHADHM CCCCCCNC(=O)Nc1cc(Br)ccc1[O-] ZINC001191972343 1038577116 /nfs/dbraw/zinc/57/71/16/1038577116.db2.gz COLNGXLACCJEMM-UHFFFAOYSA-N -1 3 315.211 3.857 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC001192335669 1038628814 /nfs/dbraw/zinc/62/88/14/1038628814.db2.gz MCIJDSCJXZMWMV-LBPRGKRZSA-N -1 3 311.372 3.997 20 0 DHADHM Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000590962390 1038731770 /nfs/dbraw/zinc/73/17/70/1038731770.db2.gz RPVZGPHDYJRYGY-UHFFFAOYSA-N -1 3 323.392 3.617 20 0 DHADHM CCSCC[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598692186 1038839194 /nfs/dbraw/zinc/83/91/94/1038839194.db2.gz YBJMAKKKZVTRDN-SECBINFHSA-N -1 3 321.364 3.673 20 0 DHADHM CC[C@@H]1CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000058205671 1038990014 /nfs/dbraw/zinc/99/00/14/1038990014.db2.gz JNNRCMYSTYKLLA-GFCCVEGCSA-N -1 3 322.503 3.672 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000068935009 1038997597 /nfs/dbraw/zinc/99/75/97/1038997597.db2.gz NMUKICMAGDLZDG-UHFFFAOYSA-N -1 3 300.289 3.943 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000604971140 1039584926 /nfs/dbraw/zinc/58/49/26/1039584926.db2.gz OYUBEOKLPMRUMJ-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c2cc(Cl)ccc21 ZINC000606536777 1039922689 /nfs/dbraw/zinc/92/26/89/1039922689.db2.gz FUXPJTLUXLCLBC-UHFFFAOYSA-N -1 3 318.735 3.596 20 0 DHADHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000574827754 1039935568 /nfs/dbraw/zinc/93/55/68/1039935568.db2.gz RRMNJPWMPLOQLQ-UHFFFAOYSA-N -1 3 321.808 3.620 20 0 DHADHM CC1(C)[C@@H]2CN(Cn3c(CCC4CCCC4)n[n-]c3=S)C[C@@H]21 ZINC000172941694 1040123363 /nfs/dbraw/zinc/12/33/63/1040123363.db2.gz RWNRSTRWSGLUMK-OKILXGFUSA-N -1 3 320.506 3.609 20 0 DHADHM O=C([C@H]1CCCc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000320392542 334962033 /nfs/dbraw/zinc/96/20/33/334962033.db2.gz AIFROKBAYUNFJT-KRWDZBQOSA-N -1 3 307.393 3.792 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000417560137 334975819 /nfs/dbraw/zinc/97/58/19/334975819.db2.gz JQYWLDCBBZIOIX-RDTXWAMCSA-N -1 3 313.397 3.555 20 0 DHADHM O=C([O-])[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000003749247 181044707 /nfs/dbraw/zinc/04/47/07/181044707.db2.gz MGKKCIYYJMVVMC-MRXNPFEDSA-N -1 3 311.381 3.776 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000006328476 181330646 /nfs/dbraw/zinc/33/06/46/181330646.db2.gz DGCYCOKHXIHFGO-UHFFFAOYSA-N -1 3 319.401 3.814 20 0 DHADHM C[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000417600026 335005391 /nfs/dbraw/zinc/00/53/91/335005391.db2.gz CTKGHEVYKJJPCF-JGVFFNPUSA-N -1 3 309.715 3.558 20 0 DHADHM CC(C)=CCSC[C@H](NCc1cc(Cl)cs1)C(=O)[O-] ZINC000417628158 335016629 /nfs/dbraw/zinc/01/66/29/335016629.db2.gz QKEMTBFVBIDFEF-LBPRGKRZSA-N -1 3 319.879 3.644 20 0 DHADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000417636808 335021566 /nfs/dbraw/zinc/02/15/66/335021566.db2.gz YJJGRYAYEBVXJY-WOJBJXKFSA-N -1 3 321.420 3.968 20 0 DHADHM C[C@@H]([C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-])C1CC1 ZINC000417641380 335025837 /nfs/dbraw/zinc/02/58/37/335025837.db2.gz PQTARXQBYLZSSH-FUXBKTLASA-N -1 3 320.191 3.721 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1 ZINC000442928008 338439572 /nfs/dbraw/zinc/43/95/72/338439572.db2.gz AADNSMQNDPKLFQ-BDAKNGLRSA-N -1 3 303.280 3.666 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000044188300 183397937 /nfs/dbraw/zinc/39/79/37/183397937.db2.gz GERIAJMMUIIYPB-UHFFFAOYSA-N -1 3 313.785 3.926 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000192983482 335040297 /nfs/dbraw/zinc/04/02/97/335040297.db2.gz HZJFOXPCEZFDHI-UHFFFAOYSA-N -1 3 313.401 3.827 20 0 DHADHM Cc1ccc(SCCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000057809724 184055697 /nfs/dbraw/zinc/05/56/97/184055697.db2.gz AYJVPQVFGZNNEV-UHFFFAOYSA-N -1 3 301.411 3.531 20 0 DHADHM Cc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1[O-] ZINC000272493903 130036119 /nfs/dbraw/zinc/03/61/19/130036119.db2.gz RZJQREMODSXFPP-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)ccc1[O-] ZINC000272584740 130044418 /nfs/dbraw/zinc/04/44/18/130044418.db2.gz FHPZWFASAFWOEO-KRWDZBQOSA-N -1 3 323.392 3.578 20 0 DHADHM Cc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)ccc1[O-] ZINC000272591415 130045073 /nfs/dbraw/zinc/04/50/73/130045073.db2.gz WOIGPQHFXVWPHJ-UHFFFAOYSA-N -1 3 323.396 3.561 20 0 DHADHM Cc1cccc(NC2CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000272591223 130045865 /nfs/dbraw/zinc/04/58/65/130045865.db2.gz WKTVBZXDUNMPPK-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM COc1cc(C(=O)N(CC2CC2)C2CCCCC2)ccc1[O-] ZINC000272617928 130046580 /nfs/dbraw/zinc/04/65/80/130046580.db2.gz PXFRAAHHIYHYNP-UHFFFAOYSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)ccc1[O-] ZINC000272628456 130048826 /nfs/dbraw/zinc/04/88/26/130048826.db2.gz WGRDGHFJWKOGRZ-UHFFFAOYSA-N -1 3 324.424 3.573 20 0 DHADHM CSc1ccc(C)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275286130 130302684 /nfs/dbraw/zinc/30/26/84/130302684.db2.gz XEUZIDFCDDPECH-UHFFFAOYSA-N -1 3 308.325 3.722 20 0 DHADHM CSc1ccc(C)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275286130 130302686 /nfs/dbraw/zinc/30/26/86/130302686.db2.gz XEUZIDFCDDPECH-UHFFFAOYSA-N -1 3 308.325 3.722 20 0 DHADHM O=c1nc(CN2CCC3(C2)CCCCCC3)[n-]c2ccsc21 ZINC000366647967 131272490 /nfs/dbraw/zinc/27/24/90/131272490.db2.gz YZIOGOLFVOJHMG-UHFFFAOYSA-N -1 3 317.458 3.943 20 0 DHADHM CC(C)c1scnc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000289027162 131352877 /nfs/dbraw/zinc/35/28/77/131352877.db2.gz CVXBKHZJZFAIRW-UHFFFAOYSA-N -1 3 305.403 3.776 20 0 DHADHM CCc1cnc(CNCc2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000289438599 131386504 /nfs/dbraw/zinc/38/65/04/131386504.db2.gz FQSIPHOEFDJRFT-UHFFFAOYSA-N -1 3 316.348 3.720 20 0 DHADHM C[C@H]1C(=O)CC[C@@H]1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293286216 131723627 /nfs/dbraw/zinc/72/36/27/131723627.db2.gz CENLHEMSFIOVGY-VXGBXAGGSA-N -1 3 322.364 3.753 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000297818539 132035699 /nfs/dbraw/zinc/03/56/99/132035699.db2.gz QJBDWVTWWGMJDD-NSHDSACASA-N -1 3 303.362 3.749 20 0 DHADHM Fc1cc2c(c(F)c1F)[C@H]([N-]c1nnc(C(F)F)o1)CC2 ZINC000514711273 429367693 /nfs/dbraw/zinc/36/76/93/429367693.db2.gz LQIWDKQVWFMBLK-ZCFIWIBFSA-N -1 3 305.206 3.524 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cc3occc3s2)s1 ZINC000605448373 435339663 /nfs/dbraw/zinc/33/96/63/435339663.db2.gz CKKTZMZIRKDRCN-UHFFFAOYSA-N -1 3 307.400 3.797 20 0 DHADHM C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000174207474 332847122 /nfs/dbraw/zinc/84/71/22/332847122.db2.gz LFAQNRWAKUEPHZ-GFCCVEGCSA-N -1 3 319.351 3.556 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)/C=C/c2cncc(F)c2)c1[O-] ZINC000179802338 331543308 /nfs/dbraw/zinc/54/33/08/331543308.db2.gz ZVOYEKVECOVICE-NSCUHMNNSA-N -1 3 306.724 3.540 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)o1 ZINC000115150847 331689460 /nfs/dbraw/zinc/68/94/60/331689460.db2.gz UOJGXDCDASKSIZ-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1c(F)cccc1Cl ZINC000087679798 331765255 /nfs/dbraw/zinc/76/52/55/331765255.db2.gz OFDCAROVWNDOBB-GHMZBOCLSA-N -1 3 301.789 3.848 20 0 DHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1csc(C(C)(C)C)n1 ZINC000087679098 331770980 /nfs/dbraw/zinc/77/09/80/331770980.db2.gz FIBGPRZCLULNDJ-NWDGAFQWSA-N -1 3 312.479 3.810 20 0 DHADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)n1cnc2ccccc21 ZINC000557183654 331775189 /nfs/dbraw/zinc/77/51/89/331775189.db2.gz MBDUURYVWVRJQS-JTQLQIEISA-N -1 3 315.760 3.595 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)CSC(C)C ZINC000517862903 331974747 /nfs/dbraw/zinc/97/47/47/331974747.db2.gz FXCNRWUJIHEEOL-UHFFFAOYSA-N -1 3 318.236 3.543 20 0 DHADHM CCCOc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000559160352 331984071 /nfs/dbraw/zinc/98/40/71/331984071.db2.gz XXTHJQHNFRDJHH-MRXNPFEDSA-N -1 3 319.426 3.843 20 0 DHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1ccsc1Cl ZINC000426771720 331986222 /nfs/dbraw/zinc/98/62/22/331986222.db2.gz ACJOKWJFSCCMHU-AWEZNQCLSA-N -1 3 323.845 3.967 20 0 DHADHM O=C(NCc1cc2ccccc2o1)c1cc([O-])ccc1Cl ZINC000518445262 332044043 /nfs/dbraw/zinc/04/40/43/332044043.db2.gz GHPGZQAYCIWZQT-UHFFFAOYSA-N -1 3 301.729 3.722 20 0 DHADHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000426775723 332048974 /nfs/dbraw/zinc/04/89/74/332048974.db2.gz UMYRQJRIBYNTOY-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000426777533 332135664 /nfs/dbraw/zinc/13/56/64/332135664.db2.gz OCEKSTLNJBICSA-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM CCc1ccc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426810381 332152174 /nfs/dbraw/zinc/15/21/74/332152174.db2.gz YZFPHAWNOAYNSC-INIZCTEOSA-N -1 3 321.779 3.957 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000426781783 332152683 /nfs/dbraw/zinc/15/26/83/332152683.db2.gz BVNYGVFTMFGTDB-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM CCC[C@H](C)C[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426792323 332154231 /nfs/dbraw/zinc/15/42/31/332154231.db2.gz IXGPYDFBRUOJBF-HZMBPMFUSA-N -1 3 301.789 3.848 20 0 DHADHM O=C([O-])[C@H](CCCc1ccccc1)NCc1ccccc1Cl ZINC000426793637 332154237 /nfs/dbraw/zinc/15/42/37/332154237.db2.gz OMROTFXXGQFKSD-KRWDZBQOSA-N -1 3 317.816 3.906 20 0 DHADHM CCSc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000426798510 332154999 /nfs/dbraw/zinc/15/49/99/332154999.db2.gz JDIOFZGZOBIJEU-MRXNPFEDSA-N -1 3 301.411 3.714 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426801840 332155158 /nfs/dbraw/zinc/15/51/58/332155158.db2.gz WDUMXWNBAQQBCF-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM CCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426806458 332155609 /nfs/dbraw/zinc/15/56/09/332155609.db2.gz JSWBCZDUAZNPLL-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM CCc1ccc([C@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426805641 332155680 /nfs/dbraw/zinc/15/56/80/332155680.db2.gz DIZCNJKEAFLJKA-WHLIDYPQSA-N -1 3 313.372 3.817 20 0 DHADHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1C ZINC000426806853 332155727 /nfs/dbraw/zinc/15/57/27/332155727.db2.gz LKCXNABRBJKETE-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426813426 332157055 /nfs/dbraw/zinc/15/70/55/332157055.db2.gz XDCDLIWUNGZMQS-INIZCTEOSA-N -1 3 303.789 3.954 20 0 DHADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc2cccnc12 ZINC000426821613 332157856 /nfs/dbraw/zinc/15/78/56/332157856.db2.gz VFNDJMFCYUPZHT-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM CCc1ccc([C@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])cc1 ZINC000426824144 332157902 /nfs/dbraw/zinc/15/79/02/332157902.db2.gz GRRLHZHYAJQIEJ-INIZCTEOSA-N -1 3 323.314 3.582 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN1c1ccccc1 ZINC000427036362 332165052 /nfs/dbraw/zinc/16/50/52/332165052.db2.gz BEIYPIAOGVJYEC-OAHLLOKOSA-N -1 3 316.788 3.653 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC12CCCC2 ZINC000559798759 332282314 /nfs/dbraw/zinc/28/23/14/332282314.db2.gz LIQBHECNLDTVQE-SNVBAGLBSA-N -1 3 310.191 3.674 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C2CC2)c1Cl ZINC000560364137 332334942 /nfs/dbraw/zinc/33/49/42/332334942.db2.gz HDVWDDVQZCFQDK-UHFFFAOYSA-N -1 3 322.257 3.769 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cnc3ccsc3c2)s1 ZINC000525628767 332343989 /nfs/dbraw/zinc/34/39/89/332343989.db2.gz CYGCKWZFKYJVKH-UHFFFAOYSA-N -1 3 318.427 3.599 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000261790703 332354462 /nfs/dbraw/zinc/35/44/62/332354462.db2.gz XSUCTIUIGCXJLE-GFCCVEGCSA-N -1 3 301.308 3.548 20 0 DHADHM COc1ccc([O-])c(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c1 ZINC000560607748 332369008 /nfs/dbraw/zinc/36/90/08/332369008.db2.gz FRAVMVZBIIBTDD-ZDUSSCGKSA-N -1 3 311.381 3.767 20 0 DHADHM [O-]c1cccnc1CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000560608595 332369074 /nfs/dbraw/zinc/36/90/74/332369074.db2.gz VEJFPGNWFCOXFB-OAQYLSRUSA-N -1 3 316.404 3.935 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1[O-] ZINC000560626594 332371471 /nfs/dbraw/zinc/37/14/71/332371471.db2.gz SFZQLXMDZGOLTE-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM O=C(CCCOc1cccc(F)c1)Nc1c([O-])cccc1Cl ZINC000560820351 332388628 /nfs/dbraw/zinc/38/86/28/332388628.db2.gz RZZFZTWMJAHPRM-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM CCc1nc(C)c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000408271198 332424029 /nfs/dbraw/zinc/42/40/29/332424029.db2.gz ZFBQXPHADMRAGL-SNVBAGLBSA-N -1 3 316.426 3.874 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427460471 332431216 /nfs/dbraw/zinc/43/12/16/332431216.db2.gz WBFUQVHXVBALAC-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM Cc1cc(C(=O)N2Cc3ccccc3OC(C)(C)C2)ccc1[O-] ZINC000426474558 332465780 /nfs/dbraw/zinc/46/57/80/332465780.db2.gz UODXNYDAJAFZHK-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM CCc1cc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)ccn1 ZINC000565041489 332477739 /nfs/dbraw/zinc/47/77/39/332477739.db2.gz TULLPPIRHOKABB-UHFFFAOYSA-N -1 3 324.424 3.801 20 0 DHADHM CC(C)(C)Cc1csc([N-]C(=O)c2snnc2C2CC2)n1 ZINC000562190505 332557999 /nfs/dbraw/zinc/55/79/99/332557999.db2.gz WURIBNHWEVHNMO-UHFFFAOYSA-N -1 3 322.459 3.713 20 0 DHADHM CC(C)c1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000151238439 332565648 /nfs/dbraw/zinc/56/56/48/332565648.db2.gz QXIWGRGGZSWXRF-UHFFFAOYSA-N -1 3 300.305 3.936 20 0 DHADHM O=C(c1cccc2ncccc21)N1CCCc2cccc([O-])c21 ZINC000170873065 332638589 /nfs/dbraw/zinc/63/85/89/332638589.db2.gz RDUAMHTWORIPCK-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM CC(C)C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000261921978 333052557 /nfs/dbraw/zinc/05/25/57/333052557.db2.gz HZVMVEWNLQTTNG-AWEZNQCLSA-N -1 3 322.405 3.538 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000460433827 333086557 /nfs/dbraw/zinc/08/65/57/333086557.db2.gz FFFCDJRFAPDMMN-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000181823366 333108306 /nfs/dbraw/zinc/10/83/06/333108306.db2.gz ODQJCKJOMICKCE-NSHDSACASA-N -1 3 321.779 3.947 20 0 DHADHM C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181871679 333135564 /nfs/dbraw/zinc/13/55/64/333135564.db2.gz TXWUXGSDGPAZHH-ABZNLYFFSA-N -1 3 316.788 3.673 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000216069815 333147739 /nfs/dbraw/zinc/14/77/39/333147739.db2.gz XSWNMKAVUNPCGZ-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(F)cc1F ZINC000182138061 333149293 /nfs/dbraw/zinc/14/92/93/333149293.db2.gz HQHRKMMYFOFHEJ-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1cccs1 ZINC000526057675 333149801 /nfs/dbraw/zinc/14/98/01/333149801.db2.gz WXEBWKYVWQCARZ-UHFFFAOYSA-N -1 3 321.417 3.665 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000185497996 333209347 /nfs/dbraw/zinc/20/93/47/333209347.db2.gz QEMXACZAHBXZOC-ZWKOTPCHSA-N -1 3 301.361 3.541 20 0 DHADHM CCC[C@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000497734309 333284530 /nfs/dbraw/zinc/28/45/30/333284530.db2.gz AAXMFQCRJXGJOV-AWEZNQCLSA-N -1 3 324.384 3.896 20 0 DHADHM CCC[C@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000497734309 333284531 /nfs/dbraw/zinc/28/45/31/333284531.db2.gz AAXMFQCRJXGJOV-AWEZNQCLSA-N -1 3 324.384 3.896 20 0 DHADHM CCC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000497734309 333284532 /nfs/dbraw/zinc/28/45/32/333284532.db2.gz AAXMFQCRJXGJOV-AWEZNQCLSA-N -1 3 324.384 3.896 20 0 DHADHM O=C([O-])[C@@H]1CCC[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000582122350 333301935 /nfs/dbraw/zinc/30/19/35/333301935.db2.gz KVWAXRZKCLSNMA-MNOVXSKESA-N -1 3 322.455 3.605 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)c1[O-] ZINC000364638190 333325719 /nfs/dbraw/zinc/32/57/19/333325719.db2.gz MGWYVIQGMNSNNF-JSGCOSHPSA-N -1 3 301.411 3.780 20 0 DHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365021428 333334541 /nfs/dbraw/zinc/33/45/41/333334541.db2.gz QZKIOSWDXSCGJO-WCQYABFASA-N -1 3 313.401 3.778 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000531434739 333352862 /nfs/dbraw/zinc/35/28/62/333352862.db2.gz RMHCSCZNJRLEKD-INIZCTEOSA-N -1 3 309.409 3.659 20 0 DHADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C(C)C ZINC000186286029 333372805 /nfs/dbraw/zinc/37/28/05/333372805.db2.gz CZNDNTPHHRKKKZ-LBPRGKRZSA-N -1 3 313.401 3.632 20 0 DHADHM Cc1ccc(F)cc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000187005008 333383417 /nfs/dbraw/zinc/38/34/17/333383417.db2.gz DJTLOJYHOVWCGF-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM Cc1ccc(F)cc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000187005008 333383419 /nfs/dbraw/zinc/38/34/19/333383419.db2.gz DJTLOJYHOVWCGF-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM COc1ccc([O-])c(-c2nc(Cc3cc(C)cc(C)c3)no2)c1 ZINC000320783468 335141076 /nfs/dbraw/zinc/14/10/76/335141076.db2.gz HATXIZQWGKRSEJ-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CC(C)C[C@H]1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338833122 333499715 /nfs/dbraw/zinc/49/97/15/333499715.db2.gz YTGDSABFRJKBMZ-LLVKDONJSA-N -1 3 315.335 3.919 20 0 DHADHM CCC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000339366136 333521571 /nfs/dbraw/zinc/52/15/71/333521571.db2.gz XGHWEXOEJCWNCF-LBPRGKRZSA-N -1 3 304.777 3.963 20 0 DHADHM C[C@H](CCC[C@H](C)NCc1nc2c(s1)C[C@H](C)CC2)C(=O)[O-] ZINC000426696825 333523719 /nfs/dbraw/zinc/52/37/19/333523719.db2.gz QPOOOMDTLVTKGQ-UPJWGTAASA-N -1 3 324.490 3.637 20 0 DHADHM CCc1cccc(C(=O)N(CC)CCc2cccs2)c1[O-] ZINC000534268532 333571373 /nfs/dbraw/zinc/57/13/73/333571373.db2.gz AWUSRPJJPYERRH-UHFFFAOYSA-N -1 3 303.427 3.721 20 0 DHADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(Br)cc1[O-] ZINC000567439676 333631948 /nfs/dbraw/zinc/63/19/48/333631948.db2.gz RWJTVHIPXHOXOK-YWVKMMECSA-N -1 3 310.191 3.529 20 0 DHADHM CCCc1ncc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)s1 ZINC000186341037 335157520 /nfs/dbraw/zinc/15/75/20/335157520.db2.gz ZBKRMBNCBFVAFN-LLVKDONJSA-N -1 3 316.426 3.955 20 0 DHADHM CCc1noc(C)c1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000571490495 333796108 /nfs/dbraw/zinc/79/61/08/333796108.db2.gz SHIUKLBHKGIBBN-UHFFFAOYSA-N -1 3 319.748 3.545 20 0 DHADHM CN(C)Cc1ccc(NCc2cccc([O-])c2Cl)c(F)c1 ZINC000414499780 333998540 /nfs/dbraw/zinc/99/85/40/333998540.db2.gz PEGFCZWLQLNBON-UHFFFAOYSA-N -1 3 308.784 3.858 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3cccc(C)c3)no2)c1[O-] ZINC000436888203 334015172 /nfs/dbraw/zinc/01/51/72/334015172.db2.gz MDTWVWFEJRAPHJ-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM COc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436904042 334016092 /nfs/dbraw/zinc/01/60/92/334016092.db2.gz PIPJVXINCWTBGQ-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000571648590 334016629 /nfs/dbraw/zinc/01/66/29/334016629.db2.gz XEDKRXLPSDOISM-OAHLLOKOSA-N -1 3 319.351 3.655 20 0 DHADHM Cc1ccc(NC([O-])=NOC2CCCC2)cc1OC(F)F ZINC000271876422 334027905 /nfs/dbraw/zinc/02/79/05/334027905.db2.gz XUMWLKMXEYXUCK-UHFFFAOYSA-N -1 3 300.305 3.592 20 0 DHADHM Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1OC(F)F ZINC000271876422 334027906 /nfs/dbraw/zinc/02/79/06/334027906.db2.gz XUMWLKMXEYXUCK-UHFFFAOYSA-N -1 3 300.305 3.592 20 0 DHADHM CC(C)[C@@H]1C[C@H](CC(=O)N2CCCc3cccc([O-])c32)CCO1 ZINC000272870157 334040593 /nfs/dbraw/zinc/04/05/93/334040593.db2.gz TXNNEZZOVKDOQH-PBHICJAKSA-N -1 3 317.429 3.513 20 0 DHADHM O=C([O-])C1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000414634422 334048774 /nfs/dbraw/zinc/04/87/74/334048774.db2.gz BXQHGSRTIRZSNX-UHFFFAOYSA-N -1 3 313.372 3.789 20 0 DHADHM CC[C@@H](C)CN(C)c1ccc(F)cc1CN(C)CCCC(=O)[O-] ZINC000414636669 334049290 /nfs/dbraw/zinc/04/92/90/334049290.db2.gz KNWSRPZTOSPUEF-CQSZACIVSA-N -1 3 324.440 3.605 20 0 DHADHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000414635489 334049483 /nfs/dbraw/zinc/04/94/83/334049483.db2.gz GZZVMIGRHGTDPT-UHFFFAOYSA-N -1 3 307.777 3.897 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c([O-])c1C ZINC000274322532 334059864 /nfs/dbraw/zinc/05/98/64/334059864.db2.gz BCLZSSBOGUDVAO-ZDUSSCGKSA-N -1 3 321.376 3.730 20 0 DHADHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000414660234 334060205 /nfs/dbraw/zinc/06/02/05/334060205.db2.gz UWYBMSQXDORHOR-IBGZPJMESA-N -1 3 313.372 3.789 20 0 DHADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000414679750 334067177 /nfs/dbraw/zinc/06/71/77/334067177.db2.gz KNWBFBPIHCPREB-QMMMGPOBSA-N -1 3 308.180 3.818 20 0 DHADHM COc1cc(-c2ccccc2)ccc1CNCCCCC(=O)[O-] ZINC000414678708 334067309 /nfs/dbraw/zinc/06/73/09/334067309.db2.gz JOYLDLKHACKGOZ-UHFFFAOYSA-N -1 3 313.397 3.707 20 0 DHADHM CC(C)c1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n[nH]1 ZINC000276376821 334076379 /nfs/dbraw/zinc/07/63/79/334076379.db2.gz CTDUQZZQWKAUIN-UHFFFAOYSA-N -1 3 313.279 3.510 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1C ZINC000276381252 334076671 /nfs/dbraw/zinc/07/66/71/334076671.db2.gz SNMJPXKPFVXDGO-LBPRGKRZSA-N -1 3 315.335 3.812 20 0 DHADHM CC(C)[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCC2 ZINC000293743353 334201813 /nfs/dbraw/zinc/20/18/13/334201813.db2.gz LOEUQSOFXFTWLZ-KRWDZBQOSA-N -1 3 310.397 3.591 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000299479987 334255617 /nfs/dbraw/zinc/25/56/17/334255617.db2.gz FLBQIAYPCPPGPT-UHFFFAOYSA-N -1 3 314.345 3.512 20 0 DHADHM COc1cc(C(=O)N[C@H](c2ccccc2C)C(C)C)ccc1[O-] ZINC000442974052 338440754 /nfs/dbraw/zinc/44/07/54/338440754.db2.gz OXMMAAUCDXGDPP-SFHVURJKSA-N -1 3 313.397 3.836 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCN(C)c3ccccc3C2)c([O-])c1 ZINC000110777474 334295038 /nfs/dbraw/zinc/29/50/38/334295038.db2.gz WQNDLSIELVKZGN-UHFFFAOYSA-N -1 3 324.424 3.608 20 0 DHADHM Cn1cc(-c2ncc(C(=O)[N-]c3ccsc3Cl)s2)cn1 ZINC000187866142 334300686 /nfs/dbraw/zinc/30/06/86/334300686.db2.gz YAVFDCOSIIFXPD-UHFFFAOYSA-N -1 3 324.818 3.511 20 0 DHADHM Cc1ccc(-c2nc(C[S@](=O)c3ccc([O-])cc3)co2)cc1 ZINC000341742384 334475888 /nfs/dbraw/zinc/47/58/88/334475888.db2.gz JQZGLYKKLGEWBQ-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM C[C@@H]1[C@H](C)CN(C(=O)CCc2ccc3ccccc3c2[O-])[C@H]1C ZINC000416318457 334662997 /nfs/dbraw/zinc/66/29/97/334662997.db2.gz FSRDLPORJDHLIP-KFWWJZLASA-N -1 3 311.425 3.981 20 0 DHADHM O=c1cc(CNc2ccc(C(F)(F)F)cc2)nc(C2CC2)[n-]1 ZINC000416984987 334688429 /nfs/dbraw/zinc/68/84/29/334688429.db2.gz HSWMDHGVUKCSBB-UHFFFAOYSA-N -1 3 309.291 3.691 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000331303441 334855924 /nfs/dbraw/zinc/85/59/24/334855924.db2.gz XTRFYXPKDHQBEP-GHMZBOCLSA-N -1 3 317.307 3.708 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000189186205 334888287 /nfs/dbraw/zinc/88/82/87/334888287.db2.gz YTKBNHSVMVOJCY-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM COc1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1[O-] ZINC000343816279 335195095 /nfs/dbraw/zinc/19/50/95/335195095.db2.gz LKNDNXLCXPMBQL-NSHDSACASA-N -1 3 317.410 3.614 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2c(F)ccc(F)c2c1 ZINC000343890876 335203978 /nfs/dbraw/zinc/20/39/78/335203978.db2.gz VJEQKZBNYYKBQX-UHFFFAOYSA-N -1 3 318.254 3.610 20 0 DHADHM Cc1ccnc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)c1 ZINC000345910400 335360526 /nfs/dbraw/zinc/36/05/26/335360526.db2.gz WNGDAPZJRWJKFB-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2Cl)n1 ZINC000345929273 335361765 /nfs/dbraw/zinc/36/17/65/335361765.db2.gz OERJDDCIPCRKDU-UHFFFAOYSA-N -1 3 304.777 3.665 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccc(Oc3ccncc3)c2)n1 ZINC000345946870 335362974 /nfs/dbraw/zinc/36/29/74/335362974.db2.gz USMLQGCDDYYXKA-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2occc2-c2ccc(F)cc2)n1 ZINC000345995169 335368563 /nfs/dbraw/zinc/36/85/63/335368563.db2.gz RVQYQGTWQKDBKJ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM c1coc(-c2cc(-c3nc(CCCc4ccccc4)no3)n[n-]2)c1 ZINC000346111606 335375509 /nfs/dbraw/zinc/37/55/09/335375509.db2.gz YREGPDFBRSLTCT-UHFFFAOYSA-N -1 3 320.352 3.895 20 0 DHADHM c1coc(-c2cc(-c3nc(CCCc4ccccc4)no3)[n-]n2)c1 ZINC000346111606 335375511 /nfs/dbraw/zinc/37/55/11/335375511.db2.gz YREGPDFBRSLTCT-UHFFFAOYSA-N -1 3 320.352 3.895 20 0 DHADHM Cc1sccc1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000346257030 335395377 /nfs/dbraw/zinc/39/53/77/335395377.db2.gz SQERFBZRLDPGFJ-LLVKDONJSA-N -1 3 301.411 3.845 20 0 DHADHM CS[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000346411872 335405614 /nfs/dbraw/zinc/40/56/14/335405614.db2.gz OFZGLGPVTSLYQK-LBPRGKRZSA-N -1 3 301.839 3.553 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2csc(C3CC3)n2)c(F)c1 ZINC000347148449 335473598 /nfs/dbraw/zinc/47/35/98/335473598.db2.gz AUYDEFHWLINSBH-UHFFFAOYSA-N -1 3 322.336 3.754 20 0 DHADHM O=C(NCc1ccc(Cl)cc1F)c1cc([O-])ccc1Cl ZINC000347515196 335501419 /nfs/dbraw/zinc/50/14/19/335501419.db2.gz NESQFTMSAIOYFL-UHFFFAOYSA-N -1 3 314.143 3.768 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000367065626 335623414 /nfs/dbraw/zinc/62/34/14/335623414.db2.gz JHEPWYAQFSYOMD-GFCCVEGCSA-N -1 3 313.401 3.922 20 0 DHADHM Cc1cnn(-c2ccc(C)cc2NCc2cc([O-])cc(F)c2)c1 ZINC000349612524 335685124 /nfs/dbraw/zinc/68/51/24/335685124.db2.gz RGPIKSZUGZJEJX-UHFFFAOYSA-N -1 3 311.360 3.946 20 0 DHADHM CSc1cccc(C)c1[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000350058480 335722151 /nfs/dbraw/zinc/72/21/51/335722151.db2.gz FVXLBMLTGYPIED-UHFFFAOYSA-N -1 3 324.409 3.550 20 0 DHADHM COCc1nc(C(=O)[N-]c2c(C)cccc2SC)cs1 ZINC000350075987 335723138 /nfs/dbraw/zinc/72/31/38/335723138.db2.gz KWXCUKBLFYJMLL-UHFFFAOYSA-N -1 3 308.428 3.572 20 0 DHADHM Cc1ccc(-c2nc(C[S@](=O)c3cccc([O-])c3)co2)cc1 ZINC000350509187 335758551 /nfs/dbraw/zinc/75/85/51/335758551.db2.gz KUJMFAKKDNHQNA-QFIPXVFZSA-N -1 3 313.378 3.663 20 0 DHADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](c2ccccc2)O1 ZINC000350698318 335773192 /nfs/dbraw/zinc/77/31/92/335773192.db2.gz CVPKNCCGDAWZRS-SJKOYZFVSA-N -1 3 319.351 3.632 20 0 DHADHM Cc1ccc(F)c(C(=O)[N-]c2cc(F)cc(F)c2F)c1F ZINC000520598752 335993930 /nfs/dbraw/zinc/99/39/30/335993930.db2.gz GFFGBAXVAIVCIE-UHFFFAOYSA-N -1 3 301.214 3.943 20 0 DHADHM O=C(NCc1nc2ccccc2s1)c1cc([O-])ccc1Cl ZINC000351500658 336038673 /nfs/dbraw/zinc/03/86/73/336038673.db2.gz UUMICCKFNROJGC-UHFFFAOYSA-N -1 3 318.785 3.585 20 0 DHADHM O=C([N-]c1nccs1)c1c(F)cc(C(F)(F)F)cc1F ZINC000351570246 336045807 /nfs/dbraw/zinc/04/58/07/336045807.db2.gz NQJLIFQGCOGIEV-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM O=C(NCCCC1CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000029229390 336080755 /nfs/dbraw/zinc/08/07/55/336080755.db2.gz LLPIFUAQPNJMKL-UHFFFAOYSA-N -1 3 312.413 3.618 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)nn1C(C)C ZINC000331942747 336153728 /nfs/dbraw/zinc/15/37/28/336153728.db2.gz GTGHMFZNRBBBFC-LBPRGKRZSA-N -1 3 313.401 3.632 20 0 DHADHM C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1cccnc1 ZINC000332130641 336159622 /nfs/dbraw/zinc/15/96/22/336159622.db2.gz JKISGHDEDZBGAD-KGLIPLIRSA-N -1 3 310.397 3.821 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)c([O-])c1 ZINC000332207988 336162827 /nfs/dbraw/zinc/16/28/27/336162827.db2.gz FQHPUZKNRXZAHD-GDBMZVCRSA-N -1 3 319.445 3.671 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)c([O-])c1 ZINC000332207994 336162952 /nfs/dbraw/zinc/16/29/52/336162952.db2.gz FQHPUZKNRXZAHD-HOCLYGCPSA-N -1 3 319.445 3.671 20 0 DHADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H](C)c1cccnc1 ZINC000332465387 336172329 /nfs/dbraw/zinc/17/23/29/336172329.db2.gz IQUPZBCCXFWBDF-CQSZACIVSA-N -1 3 324.424 3.889 20 0 DHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c[n-]c2ccccc2c1=O ZINC000332794399 336185067 /nfs/dbraw/zinc/18/50/67/336185067.db2.gz HNTXWHWRJZDIRD-RBSFLKMASA-N -1 3 324.424 3.617 20 0 DHADHM O=c1cc(C=Cc2cn3cc(Cl)ccc3n2)nc(C2CC2)[n-]1 ZINC000352006373 336188169 /nfs/dbraw/zinc/18/81/69/336188169.db2.gz HINSLBPAPNIHKB-PLNGDYQASA-N -1 3 312.760 3.531 20 0 DHADHM O=c1cc(C=Cc2ncc(C(F)(F)F)s2)nc(C2CC2)[n-]1 ZINC000352021268 336189691 /nfs/dbraw/zinc/18/96/91/336189691.db2.gz NXRVNHBAHWJRIZ-ARJAWSKDSA-N -1 3 313.304 3.705 20 0 DHADHM O=c1cc(C=Cc2csc(-c3ccccn3)n2)nc(C2CC2)[n-]1 ZINC000352025695 336190032 /nfs/dbraw/zinc/19/00/32/336190032.db2.gz GKBFJVSEWXLLSW-SREVYHEPSA-N -1 3 322.393 3.749 20 0 DHADHM CCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000352126631 336195712 /nfs/dbraw/zinc/19/57/12/336195712.db2.gz FZIHVFQLCRGTMT-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000352139102 336196307 /nfs/dbraw/zinc/19/63/07/336196307.db2.gz CPGKJKVICZXIHQ-UHFFFAOYSA-N -1 3 321.298 3.610 20 0 DHADHM CC[C@H]1CCc2nc([N-]C(=O)c3cc(C4CC4)no3)sc2C1 ZINC000333115622 336198130 /nfs/dbraw/zinc/19/81/30/336198130.db2.gz YPUCUBXGNLVZCA-VIFPVBQESA-N -1 3 317.414 3.776 20 0 DHADHM COc1cccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000352188670 336201401 /nfs/dbraw/zinc/20/14/01/336201401.db2.gz HADRHUJJVNTNIN-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM CC[C@H]1CC[C@@H](C(=O)[N-]c2onc(C3CCCCC3)c2C)O1 ZINC000333913490 336212308 /nfs/dbraw/zinc/21/23/08/336212308.db2.gz YGLAECLAAIIVAC-KBPBESRZSA-N -1 3 306.406 3.927 20 0 DHADHM O=C(Nc1nc(C(F)(F)F)cs1)c1cc([O-])ccc1Cl ZINC000352486964 336221612 /nfs/dbraw/zinc/22/16/12/336221612.db2.gz YHOAQGYDVYTMDI-UHFFFAOYSA-N -1 3 322.695 3.773 20 0 DHADHM CCO[C@@H](C)c1ncc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000352644268 336228376 /nfs/dbraw/zinc/22/83/76/336228376.db2.gz MNFYGQHJWXZDDE-JTQLQIEISA-N -1 3 306.387 3.507 20 0 DHADHM CCSCc1ccnc(NCc2c(F)ccc([O-])c2F)c1 ZINC000352704535 336231390 /nfs/dbraw/zinc/23/13/90/336231390.db2.gz KFIQTNMEGVFIGM-UHFFFAOYSA-N -1 3 310.369 3.931 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccc(N3CCCCC3)nc2)c1F ZINC000352802341 336238684 /nfs/dbraw/zinc/23/86/84/336238684.db2.gz VPQIXBRVRZTMRX-UHFFFAOYSA-N -1 3 319.355 3.668 20 0 DHADHM Cc1ccc(-c2nc([N-]C(=O)c3csnn3)sc2C)s1 ZINC000103447438 336240897 /nfs/dbraw/zinc/24/08/97/336240897.db2.gz PIRLAHSJDMGMEU-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccco1)Cc1ccccc1 ZINC000192814170 336264224 /nfs/dbraw/zinc/26/42/24/336264224.db2.gz XMNICBSKWYLGEL-UHFFFAOYSA-N -1 3 323.348 3.533 20 0 DHADHM CC(=O)CCCSc1nnc([N-]c2ccccc2F)s1 ZINC000043678939 336270770 /nfs/dbraw/zinc/27/07/70/336270770.db2.gz SXWFNWKSXSMSAS-UHFFFAOYSA-N -1 3 311.407 3.882 20 0 DHADHM COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3[O-])[nH]c2c1 ZINC000532838210 336272703 /nfs/dbraw/zinc/27/27/03/336272703.db2.gz UHUWVBRAEWKDSJ-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM CCOc1ccc2c(c1)[C@H]([N-]c1nc(C(C)C)no1)CCO2 ZINC000302333737 336357390 /nfs/dbraw/zinc/35/73/90/336357390.db2.gz AJHQMIIRHFGCQC-CYBMUJFWSA-N -1 3 303.362 3.527 20 0 DHADHM COC1(C(F)(F)F)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000418095877 336398798 /nfs/dbraw/zinc/39/87/98/336398798.db2.gz HIJQOAQRRGUXLC-UHFFFAOYSA-N -1 3 323.742 3.589 20 0 DHADHM Cc1cc(C(=O)N(Cc2ccccc2)CC(F)F)ccc1[O-] ZINC000354424504 336470362 /nfs/dbraw/zinc/47/03/62/336470362.db2.gz QQVIXAUVXKHNJF-UHFFFAOYSA-N -1 3 305.324 3.608 20 0 DHADHM CCCNc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000356177920 336539422 /nfs/dbraw/zinc/53/94/22/336539422.db2.gz VAGBBRCTONJUJJ-UHFFFAOYSA-N -1 3 318.804 3.798 20 0 DHADHM O=c1[n-]nc(CN2CCCC[C@H]2c2cccc(Cl)c2)s1 ZINC000375338641 337008306 /nfs/dbraw/zinc/00/83/06/337008306.db2.gz SDXAEDXAWVLYHV-LBPRGKRZSA-N -1 3 309.822 3.624 20 0 DHADHM CCc1ccc(C(=O)N2CCC(c3ccc(C)nc3)CC2)c([O-])c1 ZINC000375513421 337012532 /nfs/dbraw/zinc/01/25/32/337012532.db2.gz VEVIVXUYFCXTJQ-UHFFFAOYSA-N -1 3 324.424 3.678 20 0 DHADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2csc(=O)[n-]2)c1 ZINC000376097420 337026934 /nfs/dbraw/zinc/02/69/34/337026934.db2.gz NDOSFDKDMPOEJK-OAHLLOKOSA-N -1 3 316.426 3.915 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000376311367 337031094 /nfs/dbraw/zinc/03/10/94/337031094.db2.gz MYNJSVPFNUUIGV-UHFFFAOYSA-N -1 3 317.335 3.690 20 0 DHADHM Cc1ccc([C@@H](NC(=O)c2cccc([O-])c2)c2ccccn2)cc1 ZINC000376998004 337044898 /nfs/dbraw/zinc/04/48/98/337044898.db2.gz RQRGJLYTJQTCKO-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM Cc1ccc([C@H](NC(=O)c2cccc([O-])c2)c2ccccn2)cc1 ZINC000376998003 337044909 /nfs/dbraw/zinc/04/49/09/337044909.db2.gz RQRGJLYTJQTCKO-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM Cc1conc1[N-]C(=O)c1sc(-c2cccs2)nc1C ZINC000123419681 337048092 /nfs/dbraw/zinc/04/80/92/337048092.db2.gz FRYKHSUESOQNPE-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM O=C(N[C@@H]1COc2c1cccc2Cl)c1cc([O-])ccc1Cl ZINC000378027530 337065309 /nfs/dbraw/zinc/06/53/09/337065309.db2.gz QDEIHTVRSDLZNY-CYBMUJFWSA-N -1 3 324.163 3.563 20 0 DHADHM Cn1ccc([C@@H]([N-]c2nc3ccccc3o2)c2ccc(F)cc2)n1 ZINC000378407224 337072084 /nfs/dbraw/zinc/07/20/84/337072084.db2.gz XLRVSUOZXOIXKX-KRWDZBQOSA-N -1 3 322.343 3.902 20 0 DHADHM COC(=O)c1cnc(S[C@@H]2CCc3c2cccc3Cl)[n-]1 ZINC000193543732 337077898 /nfs/dbraw/zinc/07/78/98/337077898.db2.gz XGHSRCAHHJLHSX-GFCCVEGCSA-N -1 3 308.790 3.629 20 0 DHADHM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(F)cc1F ZINC000193538777 337077904 /nfs/dbraw/zinc/07/79/04/337077904.db2.gz UFZJBWSEEWXZJP-GFCCVEGCSA-N -1 3 312.341 3.718 20 0 DHADHM CCOc1ccc2nc(NC(=O)c3cccc([O-])c3)sc2c1 ZINC000194069441 337081556 /nfs/dbraw/zinc/08/15/56/337081556.db2.gz WCHCIBRSJWXCTK-UHFFFAOYSA-N -1 3 314.366 3.653 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cc1ccccc1Cl ZINC000194243269 337086595 /nfs/dbraw/zinc/08/65/95/337086595.db2.gz WJCRIXGWTOQIHX-CQSZACIVSA-N -1 3 315.800 3.893 20 0 DHADHM CC(C)(C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1CC1 ZINC000582505836 337099314 /nfs/dbraw/zinc/09/93/14/337099314.db2.gz QHURMKHBZQIIKI-UHFFFAOYSA-N -1 3 310.357 3.593 20 0 DHADHM CC(C)(C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1)C1CC1 ZINC000582505836 337099315 /nfs/dbraw/zinc/09/93/15/337099315.db2.gz QHURMKHBZQIIKI-UHFFFAOYSA-N -1 3 310.357 3.593 20 0 DHADHM CC(C)(C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC1 ZINC000582505836 337099316 /nfs/dbraw/zinc/09/93/16/337099316.db2.gz QHURMKHBZQIIKI-UHFFFAOYSA-N -1 3 310.357 3.593 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4cnccc43)n[n-]2)o1 ZINC000174946219 337143810 /nfs/dbraw/zinc/14/38/10/337143810.db2.gz MXACMUNLBPOVDY-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc4cnccc43)[n-]n2)o1 ZINC000174946219 337143811 /nfs/dbraw/zinc/14/38/11/337143811.db2.gz MXACMUNLBPOVDY-UHFFFAOYSA-N -1 3 318.336 3.779 20 0 DHADHM CCCn1ccc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc21 ZINC000175268162 337146616 /nfs/dbraw/zinc/14/66/16/337146616.db2.gz GOBWSZIWYXXXCU-UHFFFAOYSA-N -1 3 319.368 3.575 20 0 DHADHM COc1cccc([C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)c1 ZINC000175266493 337146675 /nfs/dbraw/zinc/14/66/75/337146675.db2.gz PGJIIDJKSHWJAO-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2ncsc2c1 ZINC000178515694 337163338 /nfs/dbraw/zinc/16/33/38/337163338.db2.gz GQDNIGIGEARKGH-UHFFFAOYSA-N -1 3 318.785 3.837 20 0 DHADHM Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3[O-])cs2)o1 ZINC000179562332 337170268 /nfs/dbraw/zinc/17/02/68/337170268.db2.gz RSDHMXGBTGQJPZ-UHFFFAOYSA-N -1 3 314.366 3.978 20 0 DHADHM O=C([N-]c1ncccc1Cl)c1c(F)c(F)cc(F)c1F ZINC000179975023 337173037 /nfs/dbraw/zinc/17/30/37/337173037.db2.gz PEJOYMHGPZFBOA-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cccc(F)c1F ZINC000182153904 337186904 /nfs/dbraw/zinc/18/69/04/337186904.db2.gz WIPLQHRJNQSCLW-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc([O-])c1 ZINC000182272210 337187735 /nfs/dbraw/zinc/18/77/35/337187735.db2.gz VYGCPYMZWZSSAD-UHFFFAOYSA-N -1 3 307.353 3.788 20 0 DHADHM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182476914 337188566 /nfs/dbraw/zinc/18/85/66/337188566.db2.gz BEFXTIPXNLHBLK-GFCCVEGCSA-N -1 3 303.789 3.749 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cc(F)c(F)c(F)c1 ZINC000182494669 337188785 /nfs/dbraw/zinc/18/87/85/337188785.db2.gz QHKBNPVHUUTCDO-UHFFFAOYSA-N -1 3 315.678 3.644 20 0 DHADHM CCOc1ccc(C2=CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000182970916 337190851 /nfs/dbraw/zinc/19/08/51/337190851.db2.gz FFAHGOLRRXGZGH-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM COCCn1cc(C(=O)Nc2c(C)cccc2[O-])c2ccccc21 ZINC000183026945 337191127 /nfs/dbraw/zinc/19/11/27/337191127.db2.gz KTSYDVHRDPWWDE-UHFFFAOYSA-N -1 3 324.380 3.554 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000183241226 337192429 /nfs/dbraw/zinc/19/24/29/337192429.db2.gz CPFZWZKCMHMMJU-NXEZZACHSA-N -1 3 307.271 3.552 20 0 DHADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183253556 337192662 /nfs/dbraw/zinc/19/26/62/337192662.db2.gz JKWOEKUDZKBDSM-LLVKDONJSA-N -1 3 303.333 3.672 20 0 DHADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)c1cccc([O-])c1 ZINC000183999946 337194399 /nfs/dbraw/zinc/19/43/99/337194399.db2.gz DZHWVGIXANMZIV-UHFFFAOYSA-N -1 3 317.193 3.673 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2ccccc2)c2ccncc2)c1 ZINC000185492632 337205869 /nfs/dbraw/zinc/20/58/69/337205869.db2.gz FGUTYNOPBHNVRR-LJQANCHMSA-N -1 3 308.356 3.806 20 0 DHADHM CC(C)c1scnc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000582983020 337222685 /nfs/dbraw/zinc/22/26/85/337222685.db2.gz UROAVMIDKFMCML-UHFFFAOYSA-N -1 3 300.305 3.936 20 0 DHADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1-n1cccn1 ZINC000185575119 337249171 /nfs/dbraw/zinc/24/91/71/337249171.db2.gz RMVKNZYPYHHKHJ-CYBMUJFWSA-N -1 3 311.360 3.568 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000186201146 337254694 /nfs/dbraw/zinc/25/46/94/337254694.db2.gz GPQMBVKKLZMFRR-UHFFFAOYSA-N -1 3 301.361 3.649 20 0 DHADHM Cc1csc([C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)n1 ZINC000186205725 337254731 /nfs/dbraw/zinc/25/47/31/337254731.db2.gz ZZVHRYLLFZNNMR-ZDUSSCGKSA-N -1 3 306.406 3.676 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1 ZINC000187079208 337261639 /nfs/dbraw/zinc/26/16/39/337261639.db2.gz OFEQBBCBLACTNP-UHFFFAOYSA-N -1 3 317.366 3.551 20 0 DHADHM O=C(Nc1ccc(F)c(Cl)c1)c1n[n-]nc1-c1ccccc1 ZINC000188940128 337276746 /nfs/dbraw/zinc/27/67/46/337276746.db2.gz OCZQRHVTXVEOFS-UHFFFAOYSA-N -1 3 316.723 3.517 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000189144513 337276997 /nfs/dbraw/zinc/27/69/97/337276997.db2.gz SETIVQRHWZXJDL-UHFFFAOYSA-N -1 3 322.368 3.511 20 0 DHADHM CCn1nc(C)c(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1C ZINC000583845016 337342989 /nfs/dbraw/zinc/34/29/89/337342989.db2.gz RPSPEEKRQMJPCB-UHFFFAOYSA-N -1 3 322.821 3.968 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C)s2)c1[O-] ZINC000114672278 337391662 /nfs/dbraw/zinc/39/16/62/337391662.db2.gz XTJUWKUIIPWSLQ-CYBMUJFWSA-N -1 3 317.410 3.748 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)cs2)on1 ZINC000037115250 337395260 /nfs/dbraw/zinc/39/52/60/337395260.db2.gz DSTBKWOARUHBKP-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM O=C(CCC(=O)c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000067139096 337543352 /nfs/dbraw/zinc/54/33/52/337543352.db2.gz RCAZMQOEPPNHMN-UHFFFAOYSA-N -1 3 303.745 3.647 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc4c(n3)CCCC4)no2)c1 ZINC000324103709 337602708 /nfs/dbraw/zinc/60/27/08/337602708.db2.gz JNBLSTODEOOTHZ-UHFFFAOYSA-N -1 3 307.353 3.691 20 0 DHADHM CC(C)C[C@@H](CNCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000263454106 337629662 /nfs/dbraw/zinc/62/96/62/337629662.db2.gz BLEUSALOLYYAKB-HNNXBMFYSA-N -1 3 301.386 3.783 20 0 DHADHM CC(C)C[C@@H](CNCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000263466566 337629938 /nfs/dbraw/zinc/62/99/38/337629938.db2.gz GIYCNDUWIVYFFU-NSHDSACASA-N -1 3 309.793 3.923 20 0 DHADHM COc1ccc([C@H](NCc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000263507541 337630829 /nfs/dbraw/zinc/63/08/29/337630829.db2.gz XOIQSXBBHRITIE-GOSISDBHSA-N -1 3 313.397 3.880 20 0 DHADHM CCOc1cc(-c2noc(-c3ccc(C)cc3F)n2)ccc1[O-] ZINC000445432663 337786155 /nfs/dbraw/zinc/78/61/55/337786155.db2.gz UMKTXPQLOFHEPP-UHFFFAOYSA-N -1 3 314.316 3.955 20 0 DHADHM Cc1cccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c1[O-] ZINC000121333029 337892129 /nfs/dbraw/zinc/89/21/29/337892129.db2.gz IYETXOCONXXWRY-UHFFFAOYSA-N -1 3 322.364 3.531 20 0 DHADHM Cc1cc(F)c(CNC[C@@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000424628333 337927234 /nfs/dbraw/zinc/92/72/34/337927234.db2.gz WPPIOHDHPJRRIZ-CQSZACIVSA-N -1 3 319.351 3.621 20 0 DHADHM COC(=O)c1ccc(-c2nc(-c3cc4cc(C)ccc4o3)no2)[n-]1 ZINC000426589299 338035219 /nfs/dbraw/zinc/03/52/19/338035219.db2.gz VLKKHCROLMFFHU-UHFFFAOYSA-N -1 3 323.308 3.573 20 0 DHADHM O=C(CCCCC(=O)c1ccc(F)cc1)Nc1ccccc1[O-] ZINC000426650128 338036996 /nfs/dbraw/zinc/03/69/96/338036996.db2.gz ZVBDGGWAQDGNNB-UHFFFAOYSA-N -1 3 315.344 3.913 20 0 DHADHM CCc1nc(CNCc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000426650218 338037055 /nfs/dbraw/zinc/03/70/55/338037055.db2.gz AJEWZAZCLOBQDT-UHFFFAOYSA-N -1 3 320.392 3.785 20 0 DHADHM O=C([O-])CC1(CNCc2nc(-c3ccccc3)cs2)CCC1 ZINC000426653364 338037108 /nfs/dbraw/zinc/03/71/08/338037108.db2.gz AXZGUSPJDAHIHR-UHFFFAOYSA-N -1 3 316.426 3.545 20 0 DHADHM Cc1ccc([C@@H](NCc2cc(C)c3ncccc3c2)C(=O)[O-])cc1 ZINC000426673650 338037759 /nfs/dbraw/zinc/03/77/59/338037759.db2.gz YSKWNYOLLXULNA-LJQANCHMSA-N -1 3 320.392 3.767 20 0 DHADHM O=C([O-])[C@H](Cc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000426676543 338037814 /nfs/dbraw/zinc/03/78/14/338037814.db2.gz DGZZESJUCDEZJQ-AWEZNQCLSA-N -1 3 324.207 3.779 20 0 DHADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000426676544 338037826 /nfs/dbraw/zinc/03/78/26/338037826.db2.gz DGZZESJUCDEZJQ-CQSZACIVSA-N -1 3 324.207 3.779 20 0 DHADHM COc1ccc(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000426688020 338038068 /nfs/dbraw/zinc/03/80/68/338038068.db2.gz NQBYLTUQSAMUSQ-NEPJUHHUSA-N -1 3 313.825 3.718 20 0 DHADHM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426708672 338038811 /nfs/dbraw/zinc/03/88/11/338038811.db2.gz LUYVVHGEILSFLN-GOSISDBHSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1cccc([C@@H](NCc2cccc3[nH]ccc32)C(=O)[O-])c1C ZINC000426719234 338039090 /nfs/dbraw/zinc/03/90/90/338039090.db2.gz FGLPHSHSZBMXKL-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(C)c(F)c2)C(=O)[O-])c1C ZINC000426733175 338039830 /nfs/dbraw/zinc/03/98/30/338039830.db2.gz WYWBSUHZUVHNQR-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426737618 338039963 /nfs/dbraw/zinc/03/99/63/338039963.db2.gz OSJNEKNGADMITJ-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM Cc1cccc([C@H](NCc2cc(F)c(F)c(F)c2)C(=O)[O-])c1C ZINC000426740020 338040109 /nfs/dbraw/zinc/04/01/09/338040109.db2.gz FVWWOQGFOGLXGX-INIZCTEOSA-N -1 3 323.314 3.636 20 0 DHADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426743046 338040174 /nfs/dbraw/zinc/04/01/74/338040174.db2.gz MPEKIYZCYWHHQA-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000426751418 338040602 /nfs/dbraw/zinc/04/06/02/338040602.db2.gz VSZVOLSOBGYXHK-IFXJQAMLSA-N -1 3 320.392 3.786 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000426750513 338040659 /nfs/dbraw/zinc/04/06/59/338040659.db2.gz NTRBQRIWVGFFOF-IUODEOHRSA-N -1 3 322.455 3.605 20 0 DHADHM CC(C)(C)CC[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426753836 338040739 /nfs/dbraw/zinc/04/07/39/338040739.db2.gz LLGPYOINUXTHBY-ZDUSSCGKSA-N -1 3 301.789 3.848 20 0 DHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426751866 338040806 /nfs/dbraw/zinc/04/08/06/338040806.db2.gz YQDJTILQHAEUTM-GOSISDBHSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1cc(C(=O)NCCc2ccc(Cl)c(C)c2)ccc1[O-] ZINC000428275742 338045203 /nfs/dbraw/zinc/04/52/03/338045203.db2.gz JMMIVPPOIJWTIS-UHFFFAOYSA-N -1 3 303.789 3.635 20 0 DHADHM CCc1cc(Br)ccc1NC(=O)c1cccc([O-])c1 ZINC000148276916 338086994 /nfs/dbraw/zinc/08/69/94/338086994.db2.gz HQIOOBBTLDHWBR-UHFFFAOYSA-N -1 3 320.186 3.969 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000431147404 338124113 /nfs/dbraw/zinc/12/41/13/338124113.db2.gz UKDXGZLRBZQITR-UHFFFAOYSA-N -1 3 321.345 3.583 20 0 DHADHM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1ccccc1[O-] ZINC000431383902 338129537 /nfs/dbraw/zinc/12/95/37/338129537.db2.gz GKFIZANPOSXKHT-UHFFFAOYSA-N -1 3 300.745 3.708 20 0 DHADHM CCSc1nnc([N-]C(=O)c2cc(F)ccc2Cl)s1 ZINC000431388238 338129722 /nfs/dbraw/zinc/12/97/22/338129722.db2.gz UMIFQXVKGCINMI-UHFFFAOYSA-N -1 3 317.798 3.695 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000431511411 338132943 /nfs/dbraw/zinc/13/29/43/338132943.db2.gz YBZHHGZTDVUMJQ-UHFFFAOYSA-N -1 3 319.763 3.990 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(CC(C)C)c2)CC)n1 ZINC000435337828 338237379 /nfs/dbraw/zinc/23/73/79/338237379.db2.gz YJYRIPFHUFHRMT-NVNXTCNLSA-N -1 3 314.433 3.526 20 0 DHADHM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1C ZINC000435727183 338246461 /nfs/dbraw/zinc/24/64/61/338246461.db2.gz UYORUMKOHQAFFI-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C)sn3)n2)s1 ZINC000435737533 338247122 /nfs/dbraw/zinc/24/71/22/338247122.db2.gz IWIDZZHWRIRJSU-UHFFFAOYSA-N -1 3 322.440 3.592 20 0 DHADHM COc1cc(-c2noc(/C=C/c3cccc([O-])c3)n2)ccc1C ZINC000435953367 338253995 /nfs/dbraw/zinc/25/39/95/338253995.db2.gz OELMWSZFNCJUAV-VQHVLOKHSA-N -1 3 308.337 3.930 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(OC)cc(OC)c2C)c([O-])c1 ZINC000436485141 338273855 /nfs/dbraw/zinc/27/38/55/338273855.db2.gz GGLSBCAWTRERDM-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1[O-] ZINC000436511530 338274611 /nfs/dbraw/zinc/27/46/11/338274611.db2.gz KXBQYOCWEYDUBE-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c([O-])c1 ZINC000436511035 338274707 /nfs/dbraw/zinc/27/47/07/338274707.db2.gz GFSLDHDAQFYOPM-IBGZPJMESA-N -1 3 313.372 3.720 20 0 DHADHM Cc1cccc(-c2nc(-c3cccc4ncccc43)no2)c1[O-] ZINC000436520105 338274828 /nfs/dbraw/zinc/27/48/28/338274828.db2.gz CWQZRTDCKCJFPE-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM O=C(Nc1ccc2ccc(Cl)cc2n1)c1c([O-])cccc1O ZINC000436517693 338274901 /nfs/dbraw/zinc/27/49/01/338274901.db2.gz VXDXUDDAKICIRX-UHFFFAOYSA-N -1 3 314.728 3.552 20 0 DHADHM COCc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436525248 338275209 /nfs/dbraw/zinc/27/52/09/338275209.db2.gz FPOYEQDBBDKXIO-UHFFFAOYSA-N -1 3 311.381 3.670 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccccc2F)C(C)C)c([O-])c1 ZINC000436529869 338275280 /nfs/dbraw/zinc/27/52/80/338275280.db2.gz COSPMLKNWCWGTM-UHFFFAOYSA-N -1 3 301.361 3.891 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000436530323 338275337 /nfs/dbraw/zinc/27/53/37/338275337.db2.gz DQLDHJIGSAUSIY-CHWSQXEVSA-N -1 3 314.291 3.992 20 0 DHADHM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1[O-] ZINC000436534863 338275833 /nfs/dbraw/zinc/27/58/33/338275833.db2.gz YLWIEPHITLVQGK-OAHLLOKOSA-N -1 3 313.397 3.542 20 0 DHADHM Cn1cc(CCc2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436537030 338276015 /nfs/dbraw/zinc/27/60/15/338276015.db2.gz XEYJMOXAQCDEIY-UHFFFAOYSA-N -1 3 319.364 3.719 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c([O-])c1 ZINC000436539499 338276193 /nfs/dbraw/zinc/27/61/93/338276193.db2.gz YQZZFLRZHUGSIG-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1sc(CNC(=O)c2cccc(C)c2[O-])nc1C(C)C ZINC000436544291 338276279 /nfs/dbraw/zinc/27/62/79/338276279.db2.gz BYUMNASKKVKLOW-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000436544173 338276314 /nfs/dbraw/zinc/27/63/14/338276314.db2.gz BPRFXBZUVUBXPT-ZYHUDNBSSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1csc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436547775 338276531 /nfs/dbraw/zinc/27/65/31/338276531.db2.gz AUVNAXJTOFJPFP-UHFFFAOYSA-N -1 3 318.442 3.946 20 0 DHADHM CCCOc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436564631 338277246 /nfs/dbraw/zinc/27/72/46/338277246.db2.gz LDTCJEVVMIMLOT-UHFFFAOYSA-N -1 3 313.353 3.636 20 0 DHADHM Cc1cccc(C)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436573342 338277789 /nfs/dbraw/zinc/27/77/89/338277789.db2.gz HDEFNXFOSOTPRM-UHFFFAOYSA-N -1 3 311.381 3.975 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1 ZINC000436579667 338278090 /nfs/dbraw/zinc/27/80/90/338278090.db2.gz DJRHFFZQWRFRSC-UHFFFAOYSA-N -1 3 301.411 3.776 20 0 DHADHM CC[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436579732 338278229 /nfs/dbraw/zinc/27/82/29/338278229.db2.gz AGZXLMGGGJEDKK-HNNXBMFYSA-N -1 3 309.409 3.855 20 0 DHADHM Cc1cc(Oc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)n[nH]1 ZINC000436587944 338278619 /nfs/dbraw/zinc/27/86/19/338278619.db2.gz YGFKMKICEOLKAK-UHFFFAOYSA-N -1 3 323.352 3.777 20 0 DHADHM Cc1cnc([C@H](NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)s1 ZINC000436592828 338278909 /nfs/dbraw/zinc/27/89/09/338278909.db2.gz ZFGVDFUETSXUOY-CQSZACIVSA-N -1 3 316.426 3.655 20 0 DHADHM COCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccco1 ZINC000436595814 338279100 /nfs/dbraw/zinc/27/91/00/338279100.db2.gz JXSXMUQBUWGZLV-HNNXBMFYSA-N -1 3 317.385 3.616 20 0 DHADHM [O-]c1ccc(-c2noc(CCCc3cc(F)ccc3F)n2)cc1 ZINC000436598277 338279260 /nfs/dbraw/zinc/27/92/60/338279260.db2.gz ZLOVNSRSYVIYLU-UHFFFAOYSA-N -1 3 316.307 3.896 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nccc3sccc32)c1[O-] ZINC000436609999 338279714 /nfs/dbraw/zinc/27/97/14/338279714.db2.gz JAJKEFUYYYUCLU-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])cnn1-c1ccccc1 ZINC000436609769 338279815 /nfs/dbraw/zinc/27/98/15/338279815.db2.gz WIINKPRRFKOUPA-UHFFFAOYSA-N -1 3 321.380 3.755 20 0 DHADHM COc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)nc1 ZINC000436613669 338279968 /nfs/dbraw/zinc/27/99/68/338279968.db2.gz RORQYRNQIDUEGP-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1ncccc1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614682 338280225 /nfs/dbraw/zinc/28/02/25/338280225.db2.gz ACEALTXSOQNKRE-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1Cl ZINC000436623628 338280342 /nfs/dbraw/zinc/28/03/42/338280342.db2.gz HEMCUJBMPBDBKB-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCC1(C)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436627157 338280510 /nfs/dbraw/zinc/28/05/10/338280510.db2.gz UKALTTFOJKBQEW-UHFFFAOYSA-N -1 3 301.430 3.923 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000436626966 338280546 /nfs/dbraw/zinc/28/05/46/338280546.db2.gz UBBOBKREMUWBGL-TZMCWYRMSA-N -1 3 321.298 3.697 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1 ZINC000436663856 338282021 /nfs/dbraw/zinc/28/20/21/338282021.db2.gz JUKLIIDLSXEBKU-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2cc(F)ccc21 ZINC000436686604 338282908 /nfs/dbraw/zinc/28/29/08/338282908.db2.gz OFUIVVORKKEKLZ-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CC1=CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436688895 338282964 /nfs/dbraw/zinc/28/29/64/338282964.db2.gz PJZRRZFKIZDVIW-UHFFFAOYSA-N -1 3 307.393 3.775 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccncc2F)c([O-])c1 ZINC000436691252 338283042 /nfs/dbraw/zinc/28/30/42/338283042.db2.gz SJFFBRCCZOOLGP-LLVKDONJSA-N -1 3 302.349 3.541 20 0 DHADHM COc1cc(-c2nc([C@H]3CCCC[C@H]3C)no2)cc(OC)c1[O-] ZINC000436691872 338283110 /nfs/dbraw/zinc/28/31/10/338283110.db2.gz VMNRSXKNBWCYDS-PWSUYJOCSA-N -1 3 318.373 3.753 20 0 DHADHM COc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1OC(C)C ZINC000436694777 338283123 /nfs/dbraw/zinc/28/31/23/338283123.db2.gz JEIRHDFSWIPGQT-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM CCO[C@@H](CCNC(=O)c1ccc([O-])c(CC)c1)C1CCCC1 ZINC000436703010 338283272 /nfs/dbraw/zinc/28/32/72/338283272.db2.gz GYTNNPBKXNTWBW-SFHVURJKSA-N -1 3 319.445 3.670 20 0 DHADHM CCOc1cc(C)ccc1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000436705651 338283485 /nfs/dbraw/zinc/28/34/85/338283485.db2.gz SOMLTXLUEFIKAT-UHFFFAOYSA-N -1 3 313.397 3.592 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([O-])c1 ZINC000436705679 338283513 /nfs/dbraw/zinc/28/35/13/338283513.db2.gz SSEWYDNHPFZHJC-OAHLLOKOSA-N -1 3 311.381 3.711 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1[O-] ZINC000436717161 338283920 /nfs/dbraw/zinc/28/39/20/338283920.db2.gz SFYFMJGHOMUYHE-OAHLLOKOSA-N -1 3 317.429 3.976 20 0 DHADHM COc1ccc2nc(C)cc(C(=O)Nc3ccc(C)cc3[O-])c2c1 ZINC000436731834 338284705 /nfs/dbraw/zinc/28/47/05/338284705.db2.gz NMSVXWDGRRXWMZ-UHFFFAOYSA-N -1 3 322.364 3.818 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2ccc(O)cc2SC)no1 ZINC000436736473 338284843 /nfs/dbraw/zinc/28/48/43/338284843.db2.gz IMSMQCOSTVCIGO-UHFFFAOYSA-N -1 3 324.427 3.608 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC000436758814 338286043 /nfs/dbraw/zinc/28/60/43/338286043.db2.gz ZMMOFBPUEABMAU-KRWDZBQOSA-N -1 3 312.413 3.831 20 0 DHADHM COc1ccc(C)cc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436766880 338286356 /nfs/dbraw/zinc/28/63/56/338286356.db2.gz FEXSYRNSVZKXEE-POHAHGRESA-N -1 3 308.337 3.930 20 0 DHADHM COc1ccc(C[C@@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436778314 338286884 /nfs/dbraw/zinc/28/68/84/338286884.db2.gz QPISHZKYBMJTRK-GFCCVEGCSA-N -1 3 310.353 3.797 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cnc4ccc(F)cc4c3)n2)cc1 ZINC000436777354 338286925 /nfs/dbraw/zinc/28/69/25/338286925.db2.gz MKDMCJCJXSXWLR-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3occc3C(C)C)no2)c1 ZINC000436773103 338287037 /nfs/dbraw/zinc/28/70/37/338287037.db2.gz HUASPJHGLLKLLR-UHFFFAOYSA-N -1 3 300.314 3.834 20 0 DHADHM COc1cc(-c2noc([C@@H](C)Oc3ccccc3)n2)ccc1[O-] ZINC000436783799 338287221 /nfs/dbraw/zinc/28/72/21/338287221.db2.gz ISEKWYRJZYYJFO-LLVKDONJSA-N -1 3 312.325 3.591 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)c(F)c3)n2)ccc1[O-] ZINC000436786962 338287386 /nfs/dbraw/zinc/28/73/86/338287386.db2.gz GDKSNDYHPISZTB-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CC(C)c1ccc(C(=O)NCc2ccc3ccccc3n2)c([O-])c1 ZINC000436790498 338287533 /nfs/dbraw/zinc/28/75/33/338287533.db2.gz HZOJOPBAHOEBCS-UHFFFAOYSA-N -1 3 320.392 3.994 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c([O-])c1C ZINC000436797630 338287736 /nfs/dbraw/zinc/28/77/36/338287736.db2.gz GYPVJLNTBCCQOC-SWLSCSKDSA-N -1 3 317.335 3.573 20 0 DHADHM CCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000436802678 338287895 /nfs/dbraw/zinc/28/78/95/338287895.db2.gz KAULWPNDTQRVLX-UHFFFAOYSA-N -1 3 313.372 3.899 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c([O-])c1 ZINC000436806289 338288025 /nfs/dbraw/zinc/28/80/25/338288025.db2.gz UPVMSAVLBMQMLS-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000436807973 338288151 /nfs/dbraw/zinc/28/81/51/338288151.db2.gz JUAPIQHMWFLSLV-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM Cc1[nH]nc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1C ZINC000436808937 338288199 /nfs/dbraw/zinc/28/81/99/338288199.db2.gz MWZXPUCMGWZCIQ-UHFFFAOYSA-N -1 3 321.380 3.575 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)c([O-])c1 ZINC000436807624 338288212 /nfs/dbraw/zinc/28/82/12/338288212.db2.gz JIXJSNDQRZZYIP-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000436813858 338288273 /nfs/dbraw/zinc/28/82/73/338288273.db2.gz GJXVDCCEAYGTHO-SFHVURJKSA-N -1 3 311.425 3.676 20 0 DHADHM Cc1ccc2snc(C(=O)Nc3cc(F)ccc3[O-])c2c1 ZINC000436817841 338288490 /nfs/dbraw/zinc/28/84/90/338288490.db2.gz ISGYWFUYLYWCNR-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM COCCCC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436852681 338289832 /nfs/dbraw/zinc/28/98/32/338289832.db2.gz PJFJNDSLQMCGKO-QGZVFWFLSA-N -1 3 313.397 3.680 20 0 DHADHM CCc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436852148 338289844 /nfs/dbraw/zinc/28/98/44/338289844.db2.gz NVCWULPRBCZUFE-GOSISDBHSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1cccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[O-] ZINC000436859127 338290246 /nfs/dbraw/zinc/29/02/46/338290246.db2.gz XIZOZPHMBAFWNA-TXEJJXNPSA-N -1 3 315.335 3.894 20 0 DHADHM CCc1ccc(-c2nc(COc3ccccc3C)no2)c([O-])c1 ZINC000436864214 338290388 /nfs/dbraw/zinc/29/03/88/338290388.db2.gz MAWBUXDRGPDYSW-UHFFFAOYSA-N -1 3 310.353 3.892 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2cc(OC(F)F)ccc2F)no1 ZINC000436864975 338290443 /nfs/dbraw/zinc/29/04/43/338290443.db2.gz QFAAAFRIXCUGKI-UHFFFAOYSA-N -1 3 322.242 3.850 20 0 DHADHM [O-]c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000436867133 338290602 /nfs/dbraw/zinc/29/06/02/338290602.db2.gz ACCUYPDGTOCMDM-UHFFFAOYSA-N -1 3 322.242 3.834 20 0 DHADHM CCOc1cc(-c2noc(C[C@H]3CCC[C@H]3C)n2)ccc1[O-] ZINC000436871715 338290733 /nfs/dbraw/zinc/29/07/33/338290733.db2.gz KPDLSANRRQOXPV-VXGBXAGGSA-N -1 3 302.374 3.820 20 0 DHADHM CCc1ccc(-c2nc(-c3cccc4[nH]c(C)nc43)no2)c([O-])c1 ZINC000436880531 338291665 /nfs/dbraw/zinc/29/16/65/338291665.db2.gz KDMSUJPQNBWCDK-UHFFFAOYSA-N -1 3 320.352 3.856 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c([O-])c1C ZINC000436887359 338292026 /nfs/dbraw/zinc/29/20/26/338292026.db2.gz OGGHXNBDAWPGRJ-UHFFFAOYSA-N -1 3 308.337 3.661 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 ZINC000436892868 338292107 /nfs/dbraw/zinc/29/21/07/338292107.db2.gz LQRWFNDWXLBGEU-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3cc(F)cc(F)c3)no2)c1[O-] ZINC000436891366 338292186 /nfs/dbraw/zinc/29/21/86/338292186.db2.gz GFBMEVHTRHSRIX-UHFFFAOYSA-N -1 3 318.279 3.704 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000436895272 338292390 /nfs/dbraw/zinc/29/23/90/338292390.db2.gz WIKGECIOMQSOKK-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1[O-] ZINC000436896267 338292545 /nfs/dbraw/zinc/29/25/45/338292545.db2.gz XZLJPWDHMKTZNX-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM Cc1[nH]c2ccccc2c1Cc1noc(-c2ccccc2[O-])n1 ZINC000436920387 338293486 /nfs/dbraw/zinc/29/34/86/338293486.db2.gz OZKLOQDWBIMTEA-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM CCOc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cn1 ZINC000436918938 338293522 /nfs/dbraw/zinc/29/35/22/338293522.db2.gz LFKIBCOIDVIMHU-UHFFFAOYSA-N -1 3 311.341 3.520 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)c([O-])c1 ZINC000436925297 338293665 /nfs/dbraw/zinc/29/36/65/338293665.db2.gz ZFIQPFJENQIKKZ-HNNXBMFYSA-N -1 3 317.429 3.833 20 0 DHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000436923108 338293726 /nfs/dbraw/zinc/29/37/26/338293726.db2.gz ARXRKCUHARAKBY-CQSZACIVSA-N -1 3 301.411 3.912 20 0 DHADHM COc1ccc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)c([O-])c1 ZINC000436929406 338294113 /nfs/dbraw/zinc/29/41/13/338294113.db2.gz UOAFUESABGUSCO-LLVKDONJSA-N -1 3 323.801 3.533 20 0 DHADHM Cc1cccc2[nH]cc(Cc3noc(-c4ccccc4[O-])n3)c21 ZINC000436931554 338294231 /nfs/dbraw/zinc/29/42/31/338294231.db2.gz KDUJOOGANJCHCN-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM CCN(CC)c1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cn1 ZINC000436933698 338294272 /nfs/dbraw/zinc/29/42/72/338294272.db2.gz QTZBAAIGXZNNBS-UHFFFAOYSA-N -1 3 324.384 3.659 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)ccc1[O-] ZINC000436939818 338294824 /nfs/dbraw/zinc/29/48/24/338294824.db2.gz RHRKMIUWKDEPME-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CC[C@H](CNC(=O)c1ccc([O-])c(C)c1)Oc1ccccc1C ZINC000436940097 338294832 /nfs/dbraw/zinc/29/48/32/338294832.db2.gz UFOJQGOMWCGPGV-MRXNPFEDSA-N -1 3 313.397 3.596 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@@H]1c1ccccc1 ZINC000436950615 338295414 /nfs/dbraw/zinc/29/54/14/338295414.db2.gz POJPHZFTSKSCBY-GOSISDBHSA-N -1 3 307.393 3.858 20 0 DHADHM CC(C)[C@@H](C)N(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000436950330 338295432 /nfs/dbraw/zinc/29/54/32/338295432.db2.gz CACDIIKYECLSIA-CYBMUJFWSA-N -1 3 301.430 3.920 20 0 DHADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c([O-])c1 ZINC000436951760 338295596 /nfs/dbraw/zinc/29/55/96/338295596.db2.gz SXRFAGFNEGFKHU-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CO[C@@](C)(c1noc(-c2cc3ccccc3cc2[O-])n1)C1CC1 ZINC000436951844 338295607 /nfs/dbraw/zinc/29/56/07/338295607.db2.gz UCYFESIRDJAYNB-GOSISDBHSA-N -1 3 310.353 3.867 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2OC(C)C)c([O-])c1 ZINC000436961930 338296127 /nfs/dbraw/zinc/29/61/27/338296127.db2.gz CTVLJNGLSDHPDG-UHFFFAOYSA-N -1 3 303.333 3.879 20 0 DHADHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccncc1 ZINC000436973853 338296450 /nfs/dbraw/zinc/29/64/50/338296450.db2.gz ZMJAKZARHRFVHW-QGZVFWFLSA-N -1 3 310.397 3.547 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1C ZINC000436979432 338296535 /nfs/dbraw/zinc/29/65/35/338296535.db2.gz JWLMOLZDBWIECA-SJCJKPOMSA-N -1 3 310.397 3.627 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC(C)=C[C@H](C)C2)c([O-])c1 ZINC000437003426 338297354 /nfs/dbraw/zinc/29/73/54/338297354.db2.gz TVWQTCIIHVCCPZ-ZDUSSCGKSA-N -1 3 303.402 3.609 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)s1 ZINC000437661642 338317688 /nfs/dbraw/zinc/31/76/88/338317688.db2.gz NXPAXTVAGZENEV-UHFFFAOYSA-N -1 3 307.849 3.826 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c1[O-] ZINC000156022898 338328046 /nfs/dbraw/zinc/32/80/46/338328046.db2.gz WUSPKRGMHKZVTP-CYBMUJFWSA-N -1 3 322.364 3.847 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([O-])c1C ZINC000438600952 338349617 /nfs/dbraw/zinc/34/96/17/338349617.db2.gz HCKKIIODBOFFBL-LBPRGKRZSA-N -1 3 303.324 3.716 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)ccc1[O-] ZINC000438677374 338350774 /nfs/dbraw/zinc/35/07/74/338350774.db2.gz GLFZLIXEIYUQLP-AEFFLSMTSA-N -1 3 309.409 3.842 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000448613634 338361034 /nfs/dbraw/zinc/36/10/34/338361034.db2.gz OBHJBUZYVKAEEO-RBSFLKMASA-N -1 3 305.393 3.549 20 0 DHADHM CC[C@@]1(C)CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000440456461 338387616 /nfs/dbraw/zinc/38/76/16/338387616.db2.gz WCELOWOKMSWXIV-IBGZPJMESA-N -1 3 301.430 3.923 20 0 DHADHM CCN(Cc1c(F)cccc1F)C(=O)c1cccc(C)c1[O-] ZINC000156923669 338392227 /nfs/dbraw/zinc/39/22/27/338392227.db2.gz HZBRUVBBFDLLBD-UHFFFAOYSA-N -1 3 305.324 3.641 20 0 DHADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1noc2c1CCCC2 ZINC000441616433 338417753 /nfs/dbraw/zinc/41/77/53/338417753.db2.gz XPSFOQAALRHNAS-UHFFFAOYSA-N -1 3 312.703 3.737 20 0 DHADHM Cc1ccccc1CN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448663926 338421076 /nfs/dbraw/zinc/42/10/76/338421076.db2.gz JQEZUIUNRHLYRC-UHFFFAOYSA-N -1 3 313.372 3.573 20 0 DHADHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@H](C(C)C)c3ccccc32)on1 ZINC000447399579 338551609 /nfs/dbraw/zinc/55/16/09/338551609.db2.gz YAAFVVHLIPYDQZ-DZGCQCFKSA-N -1 3 313.401 3.570 20 0 DHADHM COc1cc(NC(=O)c2cc(C)cc(OC)c2[O-])ccc1Cl ZINC000447712953 338564083 /nfs/dbraw/zinc/56/40/83/338564083.db2.gz FJPWWXPKARHGGX-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CC(C)C[C@@H](C)n1nccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000452147593 338755396 /nfs/dbraw/zinc/75/53/96/338755396.db2.gz JPVSCAKZRAUUNZ-GFCCVEGCSA-N -1 3 319.380 3.516 20 0 DHADHM CC(C)c1cc(C(=O)N(C)CC(C)(C)CO)c([O-])c(C(C)C)c1 ZINC000452899149 338783625 /nfs/dbraw/zinc/78/36/25/338783625.db2.gz MVHWEZVKHBAVMV-UHFFFAOYSA-N -1 3 321.461 3.730 20 0 DHADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)ccc1[O-] ZINC000452982813 338785397 /nfs/dbraw/zinc/78/53/97/338785397.db2.gz BBPLWQLMGNMGSY-MLGOLLRUSA-N -1 3 311.381 3.597 20 0 DHADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000457292928 338958429 /nfs/dbraw/zinc/95/84/29/338958429.db2.gz QQUQFXNFTNHGTJ-ZFWWWQNUSA-N -1 3 315.335 3.966 20 0 DHADHM CC(C)(C)C1CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000457357053 338960392 /nfs/dbraw/zinc/96/03/92/338960392.db2.gz VIVVYWFDXUHZRN-UHFFFAOYSA-N -1 3 311.425 3.983 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c([O-])c1C ZINC000458246557 338993094 /nfs/dbraw/zinc/99/30/94/338993094.db2.gz NRKBEWMWGWVCLS-CYBMUJFWSA-N -1 3 315.388 3.851 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1 ZINC000458263298 338993756 /nfs/dbraw/zinc/99/37/56/338993756.db2.gz DWINCVVZSUPWQF-CYBMUJFWSA-N -1 3 301.361 3.543 20 0 DHADHM O=c1cc(CN2CCC[C@@H]2c2ccc(F)cc2)nc(C2CC2)[n-]1 ZINC000459283460 339019215 /nfs/dbraw/zinc/01/92/15/339019215.db2.gz FIMDMOUPFBYWOY-MRXNPFEDSA-N -1 3 313.376 3.536 20 0 DHADHM C[C@H](c1c(F)cccc1F)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459311963 339021002 /nfs/dbraw/zinc/02/10/02/339021002.db2.gz WOVIRXQJADOANK-SNVBAGLBSA-N -1 3 319.355 3.531 20 0 DHADHM CC(C)N(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1ccccc1F ZINC000459329882 339022175 /nfs/dbraw/zinc/02/21/75/339022175.db2.gz RCHCFPCPQLQBQE-UHFFFAOYSA-N -1 3 315.392 3.609 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(Cl)c1 ZINC000459422865 339028312 /nfs/dbraw/zinc/02/83/12/339028312.db2.gz OIQDFEZJRSFLLI-SNVBAGLBSA-N -1 3 303.793 3.564 20 0 DHADHM C/C(=C\c1ccccc1)CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459427763 339028591 /nfs/dbraw/zinc/02/85/91/339028591.db2.gz VJQWZDJGHSDUSU-GXDHUFHOSA-N -1 3 309.413 3.595 20 0 DHADHM [O-]c1cccc(CNCCC2(F)CCC2)c1Br ZINC000459569075 339036332 /nfs/dbraw/zinc/03/63/32/339036332.db2.gz XNXGDKCNKDWOTC-UHFFFAOYSA-N -1 3 302.187 3.527 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1n[n-]nc1-c1ccccc1 ZINC000462713531 339084584 /nfs/dbraw/zinc/08/45/84/339084584.db2.gz FCVOQWOHJOYKBE-UHFFFAOYSA-N -1 3 318.380 3.992 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)cc2c1OCC2 ZINC000462780625 339088184 /nfs/dbraw/zinc/08/81/84/339088184.db2.gz ZLDFXPDQKRBZJL-UHFFFAOYSA-N -1 3 324.163 3.886 20 0 DHADHM O=C(CCc1cccc(C(F)(F)F)c1)Nc1ccccc1[O-] ZINC000466815954 339217801 /nfs/dbraw/zinc/21/78/01/339217801.db2.gz WZPGPYSAUCLPIW-UHFFFAOYSA-N -1 3 309.287 3.982 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000468267005 339258109 /nfs/dbraw/zinc/25/81/09/339258109.db2.gz WJPFKLXNXKFWET-HNNXBMFYSA-N -1 3 317.820 3.735 20 0 DHADHM CN(CC1CCCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468391509 339261475 /nfs/dbraw/zinc/26/14/75/339261475.db2.gz GNZOEPNHHMZNSR-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM Fc1ccc(Cl)cc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000468476280 339263721 /nfs/dbraw/zinc/26/37/21/339263721.db2.gz SBRDNWWYELQUEL-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000468550134 339265940 /nfs/dbraw/zinc/26/59/40/339265940.db2.gz YZHCQOFGAFZEDK-UHFFFAOYSA-N -1 3 313.372 3.981 20 0 DHADHM CN(Cc1cccc(F)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468564271 339266598 /nfs/dbraw/zinc/26/65/98/339266598.db2.gz HTAUFVMPNTUNLC-UHFFFAOYSA-N -1 3 319.351 3.652 20 0 DHADHM C[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)c2c([O-])cccc21 ZINC000468809715 339271430 /nfs/dbraw/zinc/27/14/30/339271430.db2.gz CJCOQOFBZNCHBX-CYBMUJFWSA-N -1 3 321.376 3.708 20 0 DHADHM C[C@@H]1C[C@H](C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468956463 339275964 /nfs/dbraw/zinc/27/59/64/339275964.db2.gz LUUXDIQMUZUOEU-ZIAGYGMSSA-N -1 3 307.409 3.749 20 0 DHADHM CC(C)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000468987361 339276876 /nfs/dbraw/zinc/27/68/76/339276876.db2.gz RNKKWNGFRLHQBV-ZDUSSCGKSA-N -1 3 323.380 3.675 20 0 DHADHM CC1CCC(C)(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469030596 339278100 /nfs/dbraw/zinc/27/81/00/339278100.db2.gz UKJXZFAZPKTXSV-UHFFFAOYSA-N -1 3 307.409 3.939 20 0 DHADHM C[C@@H]1CCC[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469374675 339287324 /nfs/dbraw/zinc/28/73/24/339287324.db2.gz FJGYRIUSIWCLSB-KGLIPLIRSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000469381312 339287415 /nfs/dbraw/zinc/28/74/15/339287415.db2.gz LWQQWQUKZZTXNY-CYBMUJFWSA-N -1 3 307.409 3.939 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000469392453 339287697 /nfs/dbraw/zinc/28/76/97/339287697.db2.gz CGJNIZZMNQCKDN-NVXWUHKLSA-N -1 3 319.420 3.939 20 0 DHADHM C[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H]1C ZINC000469562433 339293376 /nfs/dbraw/zinc/29/33/76/339293376.db2.gz RMMFRJLQNDXYJA-IPYPFGDCSA-N -1 3 307.409 3.795 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1F ZINC000470603888 339323007 /nfs/dbraw/zinc/32/30/07/339323007.db2.gz WUBALPVGCPBJCT-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM Cc1ccc([C@H](NC(=O)c2csc(=O)[n-]2)c2ccccc2)cc1 ZINC000471630135 339350056 /nfs/dbraw/zinc/35/00/56/339350056.db2.gz XEHMZMBGZIGOOD-MRXNPFEDSA-N -1 3 324.405 3.677 20 0 DHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1csc(=O)[n-]1 ZINC000471708516 339351847 /nfs/dbraw/zinc/35/18/47/339351847.db2.gz FNVXKAKKMANQGH-UHFFFAOYSA-N -1 3 312.394 3.664 20 0 DHADHM CC(C)(C)C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1 ZINC000471767133 339353450 /nfs/dbraw/zinc/35/34/50/339353450.db2.gz GSOCUIVMKNPMDI-GFCCVEGCSA-N -1 3 322.405 3.895 20 0 DHADHM C[C@H](c1ccccc1Cl)N(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000471794551 339354308 /nfs/dbraw/zinc/35/43/08/339354308.db2.gz UANZDVHJALHFSN-SECBINFHSA-N -1 3 322.817 3.868 20 0 DHADHM CCOc1cc2c(cc1NCc1cc([O-])cc(F)c1)O[C@@H](C)C2 ZINC000472040593 339360166 /nfs/dbraw/zinc/36/01/66/339360166.db2.gz GMQRCHLWUQHMSF-NSHDSACASA-N -1 3 317.360 3.866 20 0 DHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000472264038 339368043 /nfs/dbraw/zinc/36/80/43/339368043.db2.gz ZORFXPVYUAFCQJ-NXEZZACHSA-N -1 3 324.833 3.766 20 0 DHADHM CN(C)c1cccc(CCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000473326265 339384264 /nfs/dbraw/zinc/38/42/64/339384264.db2.gz XQTDDIUFEJMYLS-UHFFFAOYSA-N -1 3 318.804 3.683 20 0 DHADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])C1 ZINC000476454987 339476694 /nfs/dbraw/zinc/47/66/94/339476694.db2.gz XACDSDWBRJTFMW-WCQYABFASA-N -1 3 311.809 3.888 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000478444676 339515578 /nfs/dbraw/zinc/51/55/78/339515578.db2.gz GNDWREGYDVJDBC-CYBMUJFWSA-N -1 3 309.837 3.873 20 0 DHADHM CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCO2)c([O-])c(C(C)C)c1 ZINC000478763996 339522133 /nfs/dbraw/zinc/52/21/33/339522133.db2.gz JSRPNVJKZHOFDT-HNNXBMFYSA-N -1 3 319.445 3.890 20 0 DHADHM Cc1ccc2nc(-c3cnc4c(F)cccc4c3)[n-]c(=O)c2c1 ZINC000479155991 339528257 /nfs/dbraw/zinc/52/82/57/339528257.db2.gz LMZDFQJKCMGGKV-UHFFFAOYSA-N -1 3 305.312 3.998 20 0 DHADHM CCc1cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1[O-] ZINC000486227353 339723798 /nfs/dbraw/zinc/72/37/98/339723798.db2.gz MWIRNVZFQSPJHC-UHFFFAOYSA-N -1 3 315.417 3.529 20 0 DHADHM CCc1cc(C(=O)N[C@@H](c2ncccc2C)C(C)C)ccc1[O-] ZINC000486450247 339727552 /nfs/dbraw/zinc/72/75/52/339727552.db2.gz LEWZCDPJYWHAAI-QGZVFWFLSA-N -1 3 312.413 3.785 20 0 DHADHM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486983465 339741404 /nfs/dbraw/zinc/74/14/04/339741404.db2.gz DNVPSBURJPOTRH-SNVBAGLBSA-N -1 3 319.323 3.537 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)ccc1[O-] ZINC000498501843 339742981 /nfs/dbraw/zinc/74/29/81/339742981.db2.gz CYOUISBSJXEIEY-HNNXBMFYSA-N -1 3 301.773 3.771 20 0 DHADHM CCc1cc(C(=O)N2CCC=C(c3ccccc3)C2)ccc1[O-] ZINC000487801285 339763441 /nfs/dbraw/zinc/76/34/41/339763441.db2.gz RNQWUHOZIBMIGH-UHFFFAOYSA-N -1 3 307.393 3.884 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c1Cl ZINC000489767981 339818014 /nfs/dbraw/zinc/81/80/14/339818014.db2.gz NKFIPZDOMAWSJV-VIFPVBQESA-N -1 3 322.257 3.626 20 0 DHADHM Cc1cccc(CC(=O)N2CCCc3cccc([O-])c32)c1Cl ZINC000489964490 339822538 /nfs/dbraw/zinc/82/25/38/339822538.db2.gz SDGSSWZDTFRQLP-UHFFFAOYSA-N -1 3 315.800 3.876 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)s1 ZINC000489995822 339823121 /nfs/dbraw/zinc/82/31/21/339823121.db2.gz TZIQMHDVDLOMMA-NSHDSACASA-N -1 3 323.430 3.550 20 0 DHADHM Cc1cc(C)cc(CCC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000490872261 339842520 /nfs/dbraw/zinc/84/25/20/339842520.db2.gz PYMWVPDLGVNODL-UHFFFAOYSA-N -1 3 309.409 3.921 20 0 DHADHM O=C(/C=C\c1ccc2c(c1)CCO2)Nc1c([O-])cccc1Cl ZINC000493873525 339935301 /nfs/dbraw/zinc/93/53/01/339935301.db2.gz VBLALEWIXKQICN-ALCCZGGFSA-N -1 3 315.756 3.632 20 0 DHADHM CCOC(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000495747612 339991356 /nfs/dbraw/zinc/99/13/56/339991356.db2.gz QGCDTKYLOFZURF-UHFFFAOYSA-N -1 3 322.311 3.851 20 0 DHADHM CCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])cc1 ZINC000499613061 340041006 /nfs/dbraw/zinc/04/10/06/340041006.db2.gz BROOEFSJXRAQOV-UHFFFAOYSA-N -1 3 309.365 3.983 20 0 DHADHM Cc1cc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)ccc1[O-] ZINC000500038351 340049026 /nfs/dbraw/zinc/04/90/26/340049026.db2.gz VQQZNGXFXWIBHZ-UHFFFAOYSA-N -1 3 313.372 3.592 20 0 DHADHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1[O-] ZINC000500151771 340051474 /nfs/dbraw/zinc/05/14/74/340051474.db2.gz WWARMISDMBLGEB-QWHCGFSZSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)ccc1[O-] ZINC000500420615 340057806 /nfs/dbraw/zinc/05/78/06/340057806.db2.gz CSTQTZDRDJWPLD-UHFFFAOYSA-N -1 3 315.800 3.816 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)c1 ZINC000501800029 340089084 /nfs/dbraw/zinc/08/90/84/340089084.db2.gz PMQQGFWGGSPWPQ-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CCCC[C@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000503714916 340134034 /nfs/dbraw/zinc/13/40/34/340134034.db2.gz GBMIGLYZIJUTBV-JTQLQIEISA-N -1 3 314.223 3.597 20 0 DHADHM C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C(C)(F)F ZINC000504895572 340154948 /nfs/dbraw/zinc/15/49/48/340154948.db2.gz UTTJLPSCWGTYIF-ZCFIWIBFSA-N -1 3 313.222 3.521 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCOc3ccccc32)c1 ZINC000505573669 340171467 /nfs/dbraw/zinc/17/14/67/340171467.db2.gz DMTOVMLEKICWAK-INIZCTEOSA-N -1 3 311.381 3.598 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CNc2cccc(F)c2)c([O-])c1 ZINC000506239616 340189717 /nfs/dbraw/zinc/18/97/17/340189717.db2.gz XBHLEROHSCNTRT-UHFFFAOYSA-N -1 3 316.376 3.879 20 0 DHADHM CCCc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])co1 ZINC000506254215 340190069 /nfs/dbraw/zinc/19/00/69/340190069.db2.gz OOUFQJMPMIXIAO-UHFFFAOYSA-N -1 3 302.374 3.883 20 0 DHADHM COc1ccc([C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC000507998327 340236972 /nfs/dbraw/zinc/23/69/72/340236972.db2.gz LMRKMLXAHMTEDA-ZDUSSCGKSA-N -1 3 319.351 3.669 20 0 DHADHM COc1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cc1C ZINC000508007577 340237234 /nfs/dbraw/zinc/23/72/34/340237234.db2.gz DZBMSCRCILYRIO-UHFFFAOYSA-N -1 3 307.340 3.619 20 0 DHADHM CCS[C@@H]1CCCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000508534788 340246143 /nfs/dbraw/zinc/24/61/43/340246143.db2.gz PNMRZOCZZMFPSM-LLVKDONJSA-N -1 3 301.402 3.778 20 0 DHADHM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc([O-])c1 ZINC000508833005 340253892 /nfs/dbraw/zinc/25/38/92/340253892.db2.gz FXHOIJSWWANCFL-UHFFFAOYSA-N -1 3 303.333 3.961 20 0 DHADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cccc([O-])c1 ZINC000509014320 340258366 /nfs/dbraw/zinc/25/83/66/340258366.db2.gz ITSNJVLCXJAMAZ-AWEZNQCLSA-N -1 3 313.397 3.808 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1 ZINC000509037488 340259009 /nfs/dbraw/zinc/25/90/09/340259009.db2.gz LDMAMUKJQWQGJD-UHFFFAOYSA-N -1 3 303.789 3.753 20 0 DHADHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cccc([O-])c1Cl ZINC000509083958 340260672 /nfs/dbraw/zinc/26/06/72/340260672.db2.gz NSUCNHAZPPTEMD-SJKOYZFVSA-N -1 3 317.816 3.870 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000509100609 340261290 /nfs/dbraw/zinc/26/12/90/340261290.db2.gz SBKLADALRXWWEH-UHFFFAOYSA-N -1 3 313.831 3.863 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000302001068 340266204 /nfs/dbraw/zinc/26/62/04/340266204.db2.gz YMGUQXWAJXLFGV-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM CC(C)[C@H](CNCc1c(F)ccc([O-])c1F)Nc1ccccc1 ZINC000509771003 340278707 /nfs/dbraw/zinc/27/87/07/340278707.db2.gz DEDQMVXBTMPTOV-INIZCTEOSA-N -1 3 320.383 3.897 20 0 DHADHM CCCOc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000509970038 340284316 /nfs/dbraw/zinc/28/43/16/340284316.db2.gz KLKZRGTUJSTIPJ-UHFFFAOYSA-N -1 3 307.340 3.749 20 0 DHADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)COCc1ccccc1 ZINC000510111042 340289183 /nfs/dbraw/zinc/28/91/83/340289183.db2.gz AKCJSKOBKNRGJC-ZDUSSCGKSA-N -1 3 321.367 3.613 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC000302951954 340289481 /nfs/dbraw/zinc/28/94/81/340289481.db2.gz OBVFPKCHRAMKAF-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM CCN(C(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(C)c1C ZINC000510124424 340289484 /nfs/dbraw/zinc/28/94/84/340289484.db2.gz QATXNIDXJZKILC-UHFFFAOYSA-N -1 3 309.369 3.953 20 0 DHADHM CCN(C(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(C)c1C ZINC000510124424 340289485 /nfs/dbraw/zinc/28/94/85/340289485.db2.gz QATXNIDXJZKILC-UHFFFAOYSA-N -1 3 309.369 3.953 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c1[O-] ZINC000303097866 340301903 /nfs/dbraw/zinc/30/19/03/340301903.db2.gz BDQNLUICWYQJOL-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM COc1cc(Cl)ccc1CNCc1c(F)ccc([O-])c1F ZINC000511161212 340322804 /nfs/dbraw/zinc/32/28/04/340322804.db2.gz WTEWCJAMGHGHQC-UHFFFAOYSA-N -1 3 313.731 3.622 20 0 DHADHM Cc1cccc([C@@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F)c1 ZINC000511708971 340335836 /nfs/dbraw/zinc/33/58/36/340335836.db2.gz VXUUZYYSMBHJGZ-PSASIEDQSA-N -1 3 313.241 3.913 20 0 DHADHM O=C(NC1CCCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303890608 340352649 /nfs/dbraw/zinc/35/26/49/340352649.db2.gz ZLKJPHHDPGMONA-UHFFFAOYSA-N -1 3 311.381 3.644 20 0 DHADHM [O-]c1ccc(F)c(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1F ZINC000512754613 340376131 /nfs/dbraw/zinc/37/61/31/340376131.db2.gz SBNGDENTEJMAAU-FZKQIMNGSA-N -1 3 319.351 3.538 20 0 DHADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000512903678 340383437 /nfs/dbraw/zinc/38/34/37/340383437.db2.gz DMQZUHHOTYBCGT-OCCSQVGLSA-N -1 3 305.418 3.833 20 0 DHADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000512903676 340383447 /nfs/dbraw/zinc/38/34/47/340383447.db2.gz DMQZUHHOTYBCGT-GXTWGEPZSA-N -1 3 305.418 3.833 20 0 DHADHM Cc1nnc(SCc2ncccc2[O-])n1[C@@H]1CCC[C@@H](C)C1 ZINC000516705188 340454404 /nfs/dbraw/zinc/45/44/04/340454404.db2.gz FSPUNZCACDCNGN-DGCLKSJQSA-N -1 3 318.446 3.731 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)nc3C3CC3)n2)ccc1[O-] ZINC000516952158 340459944 /nfs/dbraw/zinc/45/99/44/340459944.db2.gz MCGHIWNHCZUSBG-UHFFFAOYSA-N -1 3 323.352 3.699 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000183058167 340486303 /nfs/dbraw/zinc/48/63/03/340486303.db2.gz OSYFUKJMGZRKAZ-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM C[C@H]1CCN(C(=O)c2cccc(F)c2F)c2c([O-])cccc21 ZINC000186269663 340510142 /nfs/dbraw/zinc/51/01/42/340510142.db2.gz XBAMOUXGHIEQQO-JTQLQIEISA-N -1 3 303.308 3.824 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cccc(F)c2F)c2c([O-])cccc21 ZINC000186269650 340510249 /nfs/dbraw/zinc/51/02/49/340510249.db2.gz XBAMOUXGHIEQQO-SNVBAGLBSA-N -1 3 303.308 3.824 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190684856 340546436 /nfs/dbraw/zinc/54/64/36/340546436.db2.gz YNQIELDLCLZUIC-ZDUSSCGKSA-N -1 3 315.335 3.751 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1 ZINC000522209607 340588403 /nfs/dbraw/zinc/58/84/03/340588403.db2.gz IGVYFPKJWXESKD-FQEVSTJZSA-N -1 3 309.409 3.895 20 0 DHADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523519329 340627587 /nfs/dbraw/zinc/62/75/87/340627587.db2.gz FOZRLKLPRIAMRV-SECBINFHSA-N -1 3 310.246 3.564 20 0 DHADHM COc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccc1C ZINC000523943029 340644581 /nfs/dbraw/zinc/64/45/81/340644581.db2.gz SJBVMAAIVVELIV-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000524872873 340683094 /nfs/dbraw/zinc/68/30/94/340683094.db2.gz QTUPHEBEVDYHRN-PWSUYJOCSA-N -1 3 319.829 3.726 20 0 DHADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])ccc1C(F)(F)F ZINC000529579777 340764149 /nfs/dbraw/zinc/76/41/49/340764149.db2.gz RKJFWCDRWFOBME-MXWKQRLJSA-N -1 3 313.319 3.577 20 0 DHADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cccc([O-])c1 ZINC000529945414 340774641 /nfs/dbraw/zinc/77/46/41/340774641.db2.gz MHDAQEAFGDXBND-KRWDZBQOSA-N -1 3 313.372 3.940 20 0 DHADHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cccc([O-])c1 ZINC000530034197 340777789 /nfs/dbraw/zinc/77/77/89/340777789.db2.gz GNVAPFHYLZITRW-KRWDZBQOSA-N -1 3 313.372 3.940 20 0 DHADHM COc1ccc(C(C)(C)NCc2cccc(C(=O)[O-])c2)cc1F ZINC000530252788 340783875 /nfs/dbraw/zinc/78/38/75/340783875.db2.gz QREAUDXRMFYACP-UHFFFAOYSA-N -1 3 317.360 3.557 20 0 DHADHM [O-]c1cccc(CNCCc2c[nH]c3ccccc23)c1Cl ZINC000328416838 340785179 /nfs/dbraw/zinc/78/51/79/340785179.db2.gz YLKAWCZEHIIZJD-UHFFFAOYSA-N -1 3 300.789 3.859 20 0 DHADHM CC(=O)C[C@@H](C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000539873889 340907735 /nfs/dbraw/zinc/90/77/35/340907735.db2.gz OXFJGJIKZBGVDK-GFCCVEGCSA-N -1 3 305.418 3.736 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000128818045 340916066 /nfs/dbraw/zinc/91/60/66/340916066.db2.gz AQMXFILGYHKFQT-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc([O-])c1F ZINC000129178661 340950269 /nfs/dbraw/zinc/95/02/69/340950269.db2.gz HASUZODKHIWFAJ-CQSZACIVSA-N -1 3 303.333 3.636 20 0 DHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000129663427 340979910 /nfs/dbraw/zinc/97/99/10/340979910.db2.gz IIDAHXUKLFHOMW-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000542682430 341017092 /nfs/dbraw/zinc/01/70/92/341017092.db2.gz WIPBRJMSBMUQES-DYVFJYSZSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1 ZINC000543367532 341040970 /nfs/dbraw/zinc/04/09/70/341040970.db2.gz GXUJWIZLJIVNCZ-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000543746236 341056679 /nfs/dbraw/zinc/05/66/79/341056679.db2.gz KXYUYCYFFLOOCB-UHFFFAOYSA-N -1 3 309.409 3.877 20 0 DHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1 ZINC000131035078 341056717 /nfs/dbraw/zinc/05/67/17/341056717.db2.gz UWHVLLCPSIHUIK-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM C[C@@H](c1ccco1)N(C)Cc1cc([O-])ccc1Br ZINC000131117928 341061803 /nfs/dbraw/zinc/06/18/03/341061803.db2.gz GKRHFKJXTKZZMD-JTQLQIEISA-N -1 3 310.191 3.941 20 0 DHADHM CC(C)c1ccccc1OCC(=O)Nc1ccc([O-])cc1F ZINC000543955450 341064142 /nfs/dbraw/zinc/06/41/42/341064142.db2.gz VKIUDCZIGAUYLO-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000132744673 341144434 /nfs/dbraw/zinc/14/44/34/341144434.db2.gz WNBODIYGUXEDSK-ZIAGYGMSSA-N -1 3 319.763 3.605 20 0 DHADHM Cc1ccc(C)c(SCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132782895 341145547 /nfs/dbraw/zinc/14/55/47/341145547.db2.gz QZXUZYLYDDUUFD-UHFFFAOYSA-N -1 3 319.401 3.557 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000132810000 341146074 /nfs/dbraw/zinc/14/60/74/341146074.db2.gz LVPOWKKWLFOSDC-UHFFFAOYSA-N -1 3 300.305 3.936 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000133292835 341170430 /nfs/dbraw/zinc/17/04/30/341170430.db2.gz YYLJIOOBPOKSMX-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM C[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1F)c1ccccc1 ZINC000133501405 341176864 /nfs/dbraw/zinc/17/68/64/341176864.db2.gz NEFZJRZDXANUKR-NSHDSACASA-N -1 3 311.353 3.510 20 0 DHADHM CCc1cccc(-c2nc(Cc3c(F)cccc3F)no2)c1[O-] ZINC000547022924 341192183 /nfs/dbraw/zinc/19/21/83/341192183.db2.gz ZKYHQXMKUXGFNE-UHFFFAOYSA-N -1 3 316.307 3.874 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(COC3CCCC3)no1)CCCC2 ZINC000547186729 341200363 /nfs/dbraw/zinc/20/03/63/341200363.db2.gz UBLQAVCNWJCBTA-UHFFFAOYSA-N -1 3 314.385 3.780 20 0 DHADHM Cn1cc(Cl)cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134217049 341209743 /nfs/dbraw/zinc/20/97/43/341209743.db2.gz PWNKOZYCKROUDR-UHFFFAOYSA-N -1 3 318.682 3.655 20 0 DHADHM O=C(Cc1ccsc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134220286 341209978 /nfs/dbraw/zinc/20/99/78/341209978.db2.gz YUAADCZKJBPOEE-UHFFFAOYSA-N -1 3 301.289 3.654 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccc3ncccc3c2)n1 ZINC000547433889 341213172 /nfs/dbraw/zinc/21/31/72/341213172.db2.gz YSGQFZDSCNWFPI-UHFFFAOYSA-N -1 3 311.410 3.726 20 0 DHADHM N#Cc1ccsc1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000547607757 341222999 /nfs/dbraw/zinc/22/29/99/341222999.db2.gz CFXIGLPWYHCXTD-UHFFFAOYSA-N -1 3 301.371 3.908 20 0 DHADHM O=C(/C=C/c1cc(Cl)cc(Cl)c1)[N-]OCC(F)(F)F ZINC000135206639 341233281 /nfs/dbraw/zinc/23/32/81/341233281.db2.gz LEVVALPWKJCXLY-OWOJBTEDSA-N -1 3 314.090 3.617 20 0 DHADHM CSc1nsc([N-]C(=O)c2cc(Cl)ccc2Cl)n1 ZINC000078713907 341246515 /nfs/dbraw/zinc/24/65/15/341246515.db2.gz OFVZNPMORWPNRK-UHFFFAOYSA-N -1 3 320.226 3.819 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)c1[O-] ZINC000079253983 341255899 /nfs/dbraw/zinc/25/58/99/341255899.db2.gz BNCFVFGAQWYBKT-INIZCTEOSA-N -1 3 311.381 3.687 20 0 DHADHM CCN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CCC1 ZINC000548694078 341269600 /nfs/dbraw/zinc/26/96/00/341269600.db2.gz NSMSUGQVCYRPOG-UHFFFAOYSA-N -1 3 323.392 3.638 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000548772504 341275157 /nfs/dbraw/zinc/27/51/57/341275157.db2.gz FJZBNKSWGHLHKC-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1occc1Br ZINC000080937995 341276989 /nfs/dbraw/zinc/27/69/89/341276989.db2.gz TXDICCZBBNYYEP-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM O=C(Nc1cccc2c1CCCC2)c1n[n-]nc1-c1ccccc1 ZINC000548927754 341281117 /nfs/dbraw/zinc/28/11/17/341281117.db2.gz MAALWYVVEMMDNT-UHFFFAOYSA-N -1 3 318.380 3.603 20 0 DHADHM CCc1coc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000550245149 341313328 /nfs/dbraw/zinc/31/33/28/341313328.db2.gz DDFXCBSQOAAHIC-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccccc1[O-] ZINC000550909139 341326551 /nfs/dbraw/zinc/32/65/51/341326551.db2.gz FFLRZKYUHOEBJJ-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000247619892 341368001 /nfs/dbraw/zinc/36/80/01/341368001.db2.gz SYFRJBMLGPYGLM-PVXIVEMSSA-N -1 3 307.821 3.768 20 0 DHADHM Cc1cscc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000085587046 341371075 /nfs/dbraw/zinc/37/10/75/341371075.db2.gz IXQGVRBPJLMQEO-UHFFFAOYSA-N -1 3 312.188 3.777 20 0 DHADHM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1cc(F)ccc1[O-] ZINC000552134944 341372271 /nfs/dbraw/zinc/37/22/71/341372271.db2.gz NDTDDILWRVIKCB-LBPRGKRZSA-N -1 3 312.344 3.761 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1[C@H](C)C1CC1 ZINC000553832549 341436738 /nfs/dbraw/zinc/43/67/38/341436738.db2.gz LHAADJRSZDMARM-LLVKDONJSA-N -1 3 310.357 3.585 20 0 DHADHM O=C(NCc1ccc(C2CCCCC2)cc1)c1csc(=O)[n-]1 ZINC000554360046 341451174 /nfs/dbraw/zinc/45/11/74/341451174.db2.gz VAJBYDLBJSUHCS-UHFFFAOYSA-N -1 3 316.426 3.826 20 0 DHADHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000554953860 341470338 /nfs/dbraw/zinc/47/03/38/341470338.db2.gz IFMIMGCTXDEBLY-UHFFFAOYSA-N -1 3 307.781 3.558 20 0 DHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)Cc1cncc([O-])c1 ZINC000565213671 341520285 /nfs/dbraw/zinc/52/02/85/341520285.db2.gz NBKBOIAUEIYWGH-SFHVURJKSA-N -1 3 312.413 3.542 20 0 DHADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000154220012 341586671 /nfs/dbraw/zinc/58/66/71/341586671.db2.gz ZKXFCBBIWYSYDJ-HNNXBMFYSA-N -1 3 315.369 3.757 20 0 DHADHM COc1ccc(F)c([N-]C(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000154433320 341589266 /nfs/dbraw/zinc/58/92/66/341589266.db2.gz YMLWKXIYNJWNKB-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CSc1nsc([N-]C(=O)c2oc3c(cccc3C)c2C)n1 ZINC000156015010 341616068 /nfs/dbraw/zinc/61/60/68/341616068.db2.gz CZCNVDJKTKJDRB-UHFFFAOYSA-N -1 3 319.411 3.875 20 0 DHADHM CCOc1cc(-c2noc(C3Cc4ccccc4C3)n2)ccc1[O-] ZINC000568679522 341678453 /nfs/dbraw/zinc/67/84/53/341678453.db2.gz COOQTNFSMYEDNJ-UHFFFAOYSA-N -1 3 322.364 3.723 20 0 DHADHM CCCCCn1nc(C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000572979793 341712155 /nfs/dbraw/zinc/71/21/55/341712155.db2.gz DARNIDYDVFFWAZ-UHFFFAOYSA-N -1 3 321.808 3.993 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCc3cccc(O)c32)c1[O-] ZINC000573586407 341732685 /nfs/dbraw/zinc/73/26/85/341732685.db2.gz DWVYCZOOOMSWDO-GFCCVEGCSA-N -1 3 317.772 3.728 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)NC1(C(F)F)CCCCC1 ZINC000576419932 341845552 /nfs/dbraw/zinc/84/55/52/341845552.db2.gz TYECZQQPFLNFFA-UHFFFAOYSA-N -1 3 317.763 3.672 20 0 DHADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])O1 ZINC000175816950 341846902 /nfs/dbraw/zinc/84/69/02/341846902.db2.gz NVPALLLCUZEXBI-KOLCDFICSA-N -1 3 317.307 3.697 20 0 DHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000576715769 341859966 /nfs/dbraw/zinc/85/99/66/341859966.db2.gz ODGQKYWGMLUCHM-MRVPVSSYSA-N -1 3 307.781 3.518 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000178326383 341951661 /nfs/dbraw/zinc/95/16/61/341951661.db2.gz HZAVRRQPCBBVCS-JQWIXIFHSA-N -1 3 307.271 3.552 20 0 DHADHM COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000034162068 518153612 /nfs/dbraw/zinc/15/36/12/518153612.db2.gz QFTXEYWITUUVIK-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CC(C)CC[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000158136206 519694521 /nfs/dbraw/zinc/69/45/21/519694521.db2.gz ZKJKVARDPXGCIB-CYBMUJFWSA-N -1 3 319.474 3.775 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2cc(Cl)ncc2Cl)s1 ZINC000129415523 519890499 /nfs/dbraw/zinc/89/04/99/519890499.db2.gz RYIFCFNPLXVUMW-UHFFFAOYSA-N -1 3 317.201 3.616 20 0 DHADHM CCc1nc([N-]C(=O)c2ncsc2C(F)(F)F)sc1C ZINC000338402247 522407489 /nfs/dbraw/zinc/40/74/89/522407489.db2.gz URQBKFQCJAJOFL-UHFFFAOYSA-N -1 3 321.349 3.742 20 0 DHADHM CCc1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)o1 ZINC000181755183 523949206 /nfs/dbraw/zinc/94/92/06/523949206.db2.gz FQKVCNLSTHKNAJ-OAHLLOKOSA-N -1 3 311.341 3.513 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2cc([O-])ccc2C(F)(F)F)o1 ZINC000188820886 524380013 /nfs/dbraw/zinc/38/00/13/524380013.db2.gz GJVSXGJICVKKAM-UHFFFAOYSA-N -1 3 313.275 3.585 20 0 DHADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000180451219 525055042 /nfs/dbraw/zinc/05/50/42/525055042.db2.gz AAMUNNJALWLGPJ-SECBINFHSA-N -1 3 313.184 3.713 20 0 DHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2csc(=O)[n-]2)cc1 ZINC000366229438 525865816 /nfs/dbraw/zinc/86/58/16/525865816.db2.gz IKYBCTRTAXHKGT-WFASDCNBSA-N -1 3 316.426 3.771 20 0 DHADHM Cc1ccc2c(CN3CC[C@H](C)C(F)(F)C3)ccc([O-])c2n1 ZINC000338352069 526129085 /nfs/dbraw/zinc/12/90/85/526129085.db2.gz FGAFYRPWMAAGJP-NSHDSACASA-N -1 3 306.356 3.726 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)[S@](=O)c1ccc([O-])cc1 ZINC000157086092 526180331 /nfs/dbraw/zinc/18/03/31/526180331.db2.gz RFLTUQADUVZAEP-AMXDTQDGSA-N -1 3 313.378 3.916 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)c1ccc([O-])cc1 ZINC000157086245 526185340 /nfs/dbraw/zinc/18/53/40/526185340.db2.gz RFLTUQADUVZAEP-VERVWZFWSA-N -1 3 313.378 3.916 20 0 DHADHM O=C([N-]OCCC(F)(F)F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000162646814 526844485 /nfs/dbraw/zinc/84/44/85/526844485.db2.gz HNTHKWNSPRKHPW-LSDHHAIUSA-N -1 3 323.314 3.944 20 0 DHADHM O=C([N-]c1ccc(F)c(F)c1F)c1noc2c1CCCCC2 ZINC000124436998 527198708 /nfs/dbraw/zinc/19/87/08/527198708.db2.gz FOQXJFVUSSKNCM-UHFFFAOYSA-N -1 3 310.275 3.613 20 0 DHADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1ncccc1[O-] ZINC000338120012 527212476 /nfs/dbraw/zinc/21/24/76/527212476.db2.gz RCNPNGIJDGRYEX-UHFFFAOYSA-N -1 3 318.332 3.868 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC[C@@H]1c1ccco1 ZINC000366411378 527239979 /nfs/dbraw/zinc/23/99/79/527239979.db2.gz GPBBCBMWGOXSND-OAHLLOKOSA-N -1 3 319.788 3.935 20 0 DHADHM O=c1nc(-c2cccc(Cl)n2)[n-]c2sc3c(c21)CCCC3 ZINC000129379617 527434115 /nfs/dbraw/zinc/43/41/15/527434115.db2.gz AIGDKSWTRHJLHV-UHFFFAOYSA-N -1 3 317.801 3.579 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1csc([C@H]2CCCO2)n1 ZINC000187819395 527472718 /nfs/dbraw/zinc/47/27/18/527472718.db2.gz PVRCFYUXSXHOAJ-SECBINFHSA-N -1 3 314.819 3.962 20 0 DHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2ccccc2o1 ZINC000182717260 527529310 /nfs/dbraw/zinc/52/93/10/527529310.db2.gz CNCLDEGDMVMVTA-UHFFFAOYSA-N -1 3 310.357 3.782 20 0 DHADHM O=C([N-]CCCC(F)(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000266535580 527633532 /nfs/dbraw/zinc/63/35/32/527633532.db2.gz LILYXHOCVVPXBQ-UHFFFAOYSA-N -1 3 315.669 3.891 20 0 DHADHM CC(C)OCCCc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000273786689 535328722 /nfs/dbraw/zinc/32/87/22/535328722.db2.gz FDABQTXWLPOEFW-UHFFFAOYSA-N -1 3 316.401 3.679 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccccc1Cl ZINC000737645022 599064207 /nfs/dbraw/zinc/06/42/07/599064207.db2.gz NVMRTTSLUYHPRY-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccccc1Cl ZINC000737645022 599064209 /nfs/dbraw/zinc/06/42/09/599064209.db2.gz NVMRTTSLUYHPRY-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Cc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737389925 599065983 /nfs/dbraw/zinc/06/59/83/599065983.db2.gz QSNQIPNNAHLSJX-GFCCVEGCSA-N -1 3 311.364 3.796 20 0 DHADHM c1cc(OCCSCCC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC000823762660 599225146 /nfs/dbraw/zinc/22/51/46/599225146.db2.gz RWLBNFRPHLARTE-UHFFFAOYSA-N -1 3 318.446 3.559 20 0 DHADHM c1cc(OCCSCCC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC000823762660 599225149 /nfs/dbraw/zinc/22/51/49/599225149.db2.gz RWLBNFRPHLARTE-UHFFFAOYSA-N -1 3 318.446 3.559 20 0 DHADHM Cc1c(Cl)cccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822035363 607310882 /nfs/dbraw/zinc/31/08/82/607310882.db2.gz UCCXHVJQOVHNAP-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1c(Cl)cccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822035363 607310883 /nfs/dbraw/zinc/31/08/83/607310883.db2.gz UCCXHVJQOVHNAP-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Fc1cccc(N[C@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000737659457 598236381 /nfs/dbraw/zinc/23/63/81/598236381.db2.gz DHBBPIMDHLLAGP-MRXNPFEDSA-N -1 3 309.348 3.569 20 0 DHADHM Fc1cccc(N[C@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000737659457 598236383 /nfs/dbraw/zinc/23/63/83/598236383.db2.gz DHBBPIMDHLLAGP-MRXNPFEDSA-N -1 3 309.348 3.569 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1cccc(Cl)c1 ZINC000737640753 598294140 /nfs/dbraw/zinc/29/41/40/598294140.db2.gz OUQYCVKXVCVDRS-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1cccc(Cl)c1 ZINC000737640753 598294142 /nfs/dbraw/zinc/29/41/42/598294142.db2.gz OUQYCVKXVCVDRS-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Clc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000737573268 598629342 /nfs/dbraw/zinc/62/93/42/598629342.db2.gz FBTUACYTELRJTR-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000737573268 598629344 /nfs/dbraw/zinc/62/93/44/598629344.db2.gz FBTUACYTELRJTR-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cc(NCc2cc3ccccc3[nH]2)ccc1-c1nnn[n-]1 ZINC000737562925 598668236 /nfs/dbraw/zinc/66/82/36/598668236.db2.gz ALXQFULFYQZQPV-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Clc1cc(NCc2cc3ccccc3[nH]2)ccc1-c1nn[n-]n1 ZINC000737562925 598668238 /nfs/dbraw/zinc/66/82/38/598668238.db2.gz ALXQFULFYQZQPV-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Cc1ccsc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737441311 598793541 /nfs/dbraw/zinc/79/35/41/598793541.db2.gz DJRHDGBRNPWZHG-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccsc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737441311 598793542 /nfs/dbraw/zinc/79/35/42/598793542.db2.gz DJRHDGBRNPWZHG-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Clc1ccc(NCc2cc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000737575366 598794909 /nfs/dbraw/zinc/79/49/09/598794909.db2.gz RTUYUTMBFUXALD-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Clc1ccc(NCc2cc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000737575366 598794910 /nfs/dbraw/zinc/79/49/10/598794910.db2.gz RTUYUTMBFUXALD-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](C)c2ccccc21 ZINC000736289043 599337500 /nfs/dbraw/zinc/33/75/00/599337500.db2.gz CHMVPQKLCFLKHF-CHWSQXEVSA-N -1 3 305.385 3.551 20 0 DHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](C)c2ccccc21 ZINC000736289043 599337503 /nfs/dbraw/zinc/33/75/03/599337503.db2.gz CHMVPQKLCFLKHF-CHWSQXEVSA-N -1 3 305.385 3.551 20 0 DHADHM C[C@@H](Nc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461319 599355244 /nfs/dbraw/zinc/35/52/44/599355244.db2.gz HHWZKKUVJUCHCV-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@@H](Nc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461319 599355246 /nfs/dbraw/zinc/35/52/46/599355246.db2.gz HHWZKKUVJUCHCV-GFCCVEGCSA-N -1 3 316.368 3.588 20 0 DHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456328 599362695 /nfs/dbraw/zinc/36/26/95/599362695.db2.gz SOFNARIQQVIAEB-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456328 599362698 /nfs/dbraw/zinc/36/26/98/599362698.db2.gz SOFNARIQQVIAEB-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000821400562 599374173 /nfs/dbraw/zinc/37/41/73/599374173.db2.gz LLGXEZOVOBJFCO-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000821400562 599374176 /nfs/dbraw/zinc/37/41/76/599374176.db2.gz LLGXEZOVOBJFCO-ZDUSSCGKSA-N -1 3 323.400 3.747 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820455233 599464451 /nfs/dbraw/zinc/46/44/51/599464451.db2.gz FUCQLSLKICNPBK-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820455233 599464453 /nfs/dbraw/zinc/46/44/53/599464453.db2.gz FUCQLSLKICNPBK-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737424859 599529326 /nfs/dbraw/zinc/52/93/26/599529326.db2.gz YCOFDPNLPHFNND-ZBFHGGJFSA-N -1 3 319.412 3.558 20 0 DHADHM C[C@H](Sc1ncc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC000736194026 599532220 /nfs/dbraw/zinc/53/22/20/599532220.db2.gz WOFXMMUUFRKNBU-ZETCQYMHSA-N -1 3 323.834 3.830 20 0 DHADHM C[C@H](Sc1ncc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC000736194026 599532222 /nfs/dbraw/zinc/53/22/22/599532222.db2.gz WOFXMMUUFRKNBU-ZETCQYMHSA-N -1 3 323.834 3.830 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000739500545 599787583 /nfs/dbraw/zinc/78/75/83/599787583.db2.gz OPEZFHHBWMPWLN-CQSZACIVSA-N -1 3 323.364 3.917 20 0 DHADHM O=C([O-])c1occc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000740281669 599793934 /nfs/dbraw/zinc/79/39/34/599793934.db2.gz OYNUDJJYHPXSFD-UHFFFAOYSA-N -1 3 321.323 3.636 20 0 DHADHM Cc1oc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000738964728 599803908 /nfs/dbraw/zinc/80/39/08/599803908.db2.gz WDSWBUGDXRLQHW-UHFFFAOYSA-N -1 3 317.360 3.984 20 0 DHADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736717602 600082522 /nfs/dbraw/zinc/08/25/22/600082522.db2.gz OBNISMFMFZKQEK-LLVKDONJSA-N -1 3 305.324 3.856 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000740075912 600088139 /nfs/dbraw/zinc/08/81/39/600088139.db2.gz RTTYCVJONNBKJC-UHFFFAOYSA-N -1 3 317.335 3.828 20 0 DHADHM CCCC[C@@H](Nc1cccc2c1CN(CCCC)C2)C(=O)[O-] ZINC000736983332 600155947 /nfs/dbraw/zinc/15/59/47/600155947.db2.gz ZUFNBIQFUCFEOW-QGZVFWFLSA-N -1 3 304.434 3.858 20 0 DHADHM O=C([O-])CCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000172074254 600225309 /nfs/dbraw/zinc/22/53/09/600225309.db2.gz YCFUVMWWFFVDJI-CYBMUJFWSA-N -1 3 302.201 3.995 20 0 DHADHM COc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738093719 600426724 /nfs/dbraw/zinc/42/67/24/600426724.db2.gz YIWSBUUWIUKBIF-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000076273215 600490402 /nfs/dbraw/zinc/49/04/02/600490402.db2.gz GKHOQSRQUPKYBW-UHFFFAOYSA-N -1 3 309.287 3.693 20 0 DHADHM Cc1cccnc1[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000738785787 600555725 /nfs/dbraw/zinc/55/57/25/600555725.db2.gz MGLYLMLYDBCHBK-RDJZCZTQSA-N -1 3 316.376 3.642 20 0 DHADHM Cc1ccc2sc(-c3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000822284734 607458477 /nfs/dbraw/zinc/45/84/77/607458477.db2.gz YALDYULSRYRFDB-UHFFFAOYSA-N -1 3 311.345 3.591 20 0 DHADHM Cc1ccc2sc(-c3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000822284734 607458478 /nfs/dbraw/zinc/45/84/78/607458478.db2.gz YALDYULSRYRFDB-UHFFFAOYSA-N -1 3 311.345 3.591 20 0 DHADHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832921881 600742150 /nfs/dbraw/zinc/74/21/50/600742150.db2.gz YBSOZICTHANVCG-CXAGYDPISA-N -1 3 301.361 3.919 20 0 DHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccoc2C(=O)[O-])C1 ZINC000581553727 600836361 /nfs/dbraw/zinc/83/63/61/600836361.db2.gz BVEOHZMQNXKUOZ-IAQYHMDHSA-N -1 3 303.333 3.700 20 0 DHADHM O=C([O-])c1occc1CN1CCC(OCC2CCCCC2)CC1 ZINC000833346956 600837037 /nfs/dbraw/zinc/83/70/37/600837037.db2.gz XWXBPSOKWZAOLZ-UHFFFAOYSA-N -1 3 321.417 3.539 20 0 DHADHM C[C@@H]1CCN(Cc2occc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000576950941 601117987 /nfs/dbraw/zinc/11/79/87/601117987.db2.gz UHCPSMZQBOGYDU-BZNIZROVSA-N -1 3 303.333 3.700 20 0 DHADHM CN(Cc1cc2ccccc2o1)Cc1ccc(F)cc1C(=O)[O-] ZINC000830810710 601119613 /nfs/dbraw/zinc/11/96/13/601119613.db2.gz IAPFNCDKNOWGSD-UHFFFAOYSA-N -1 3 313.328 3.902 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN[C@@]1(C)CCCc2ccccc21 ZINC000830374831 601418481 /nfs/dbraw/zinc/41/84/81/601418481.db2.gz HPYUCAAKDFSGIF-IBGZPJMESA-N -1 3 313.397 3.882 20 0 DHADHM Cc1cc(CN2CCC(c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000832882995 601466880 /nfs/dbraw/zinc/46/68/80/601466880.db2.gz OVKWSTKDWZNHJF-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000828671111 601558064 /nfs/dbraw/zinc/55/80/64/601558064.db2.gz ADXFBOBBBOWQEO-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM O=C([O-])c1sccc1CN1CCS[C@H](c2ccccc2)C1 ZINC000833348329 601828486 /nfs/dbraw/zinc/82/84/86/601828486.db2.gz HMMGJNIIOCSQBD-AWEZNQCLSA-N -1 3 319.451 3.736 20 0 DHADHM CCc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)s1 ZINC000827589154 603850129 /nfs/dbraw/zinc/85/01/29/603850129.db2.gz ABGLQROKFXPQAU-UHFFFAOYSA-N -1 3 316.426 3.641 20 0 DHADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000827718607 604292595 /nfs/dbraw/zinc/29/25/95/604292595.db2.gz WTBGYVPCZKCSNI-ONGXEEELSA-N -1 3 317.216 3.786 20 0 DHADHM FC(F)(F)CCCCNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826367903 607686161 /nfs/dbraw/zinc/68/61/61/607686161.db2.gz SWDGFYDDGVTMKB-UHFFFAOYSA-N -1 3 319.718 3.665 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(Nc2ccccc2)n1 ZINC000828671970 604668060 /nfs/dbraw/zinc/66/80/60/604668060.db2.gz JJQPVEQFGLHUSO-MRXNPFEDSA-N -1 3 319.430 3.620 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCCC(F)(F)F ZINC000826372366 607713664 /nfs/dbraw/zinc/71/36/64/607713664.db2.gz SUXGCEAQTSZHAP-UHFFFAOYSA-N -1 3 320.315 3.831 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCCC(F)(F)F ZINC000826372366 607713665 /nfs/dbraw/zinc/71/36/65/607713665.db2.gz SUXGCEAQTSZHAP-UHFFFAOYSA-N -1 3 320.315 3.831 20 0 DHADHM FC(F)(F)CCCCSc1ccccc1-c1nnn[n-]1 ZINC000826367716 607713823 /nfs/dbraw/zinc/71/38/23/607713823.db2.gz LGGRHBBGCFJZGX-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM FC(F)(F)CCCCSc1ccccc1-c1nn[n-]n1 ZINC000826367716 607713824 /nfs/dbraw/zinc/71/38/24/607713824.db2.gz LGGRHBBGCFJZGX-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000833226983 604784910 /nfs/dbraw/zinc/78/49/10/604784910.db2.gz ZSDGPOHBVWSOTD-UHFFFAOYSA-N -1 3 318.804 3.602 20 0 DHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccsc1 ZINC000825503353 605118810 /nfs/dbraw/zinc/11/88/10/605118810.db2.gz RGJNGEIKQYHGIZ-VXGBXAGGSA-N -1 3 304.415 3.928 20 0 DHADHM COc1ccc(C2(NCc3cc(C(=O)[O-])sc3C)CC2)cc1 ZINC000833731097 605138164 /nfs/dbraw/zinc/13/81/64/605138164.db2.gz QUYFOHSQOVEJHL-UHFFFAOYSA-N -1 3 317.410 3.542 20 0 DHADHM C/C(=C\CN[C@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000833383333 605144570 /nfs/dbraw/zinc/14/45/70/605144570.db2.gz MBDVLBUYLCXWKH-GPZRYRNASA-N -1 3 313.372 3.730 20 0 DHADHM CC(C)(NCc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000833460373 605170936 /nfs/dbraw/zinc/17/09/36/605170936.db2.gz DPQCMCGYOBEZTE-UHFFFAOYSA-N -1 3 305.324 3.688 20 0 DHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccoc1C(=O)[O-] ZINC000833617463 605217528 /nfs/dbraw/zinc/21/75/28/605217528.db2.gz RXKRZKSUBIIQHF-BONVTDFDSA-N -1 3 303.333 3.530 20 0 DHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000834262704 605592419 /nfs/dbraw/zinc/59/24/19/605592419.db2.gz NNHNBOUHKQHBKK-INIZCTEOSA-N -1 3 318.323 3.832 20 0 DHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1 ZINC000833606487 605701122 /nfs/dbraw/zinc/70/11/22/605701122.db2.gz QFKPFZAXJOFBHS-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM O=C([O-])N[C@@H]1C[C@H](NCc2coc3ccccc23)c2ccccc21 ZINC000834157518 605804844 /nfs/dbraw/zinc/80/48/44/605804844.db2.gz JDZWMMGWDHOUIK-DLBZAZTESA-N -1 3 322.364 3.976 20 0 DHADHM O=C([O-])N[C@H]1C[C@@H](NCc2coc3ccccc23)c2ccccc21 ZINC000834157526 605805003 /nfs/dbraw/zinc/80/50/03/605805003.db2.gz JDZWMMGWDHOUIK-SJORKVTESA-N -1 3 322.364 3.976 20 0 DHADHM Cc1cc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000822192005 606431261 /nfs/dbraw/zinc/43/12/61/606431261.db2.gz WQKXSWAAHRRWCJ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000822192005 606431263 /nfs/dbraw/zinc/43/12/63/606431263.db2.gz WQKXSWAAHRRWCJ-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccc1)C1CC1 ZINC000822743700 606445517 /nfs/dbraw/zinc/44/55/17/606445517.db2.gz DVNHQHJIRQRHQY-INIZCTEOSA-N -1 3 309.348 3.569 20 0 DHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC000819709764 606931735 /nfs/dbraw/zinc/93/17/35/606931735.db2.gz OFWBJZMSMRQBKJ-FPLPWBNLSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC000819709764 606931736 /nfs/dbraw/zinc/93/17/36/606931736.db2.gz OFWBJZMSMRQBKJ-FPLPWBNLSA-N -1 3 305.366 3.647 20 0 DHADHM CC[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000820939104 607011577 /nfs/dbraw/zinc/01/15/77/607011577.db2.gz QRAXXKWDGXHYLQ-HNNXBMFYSA-N -1 3 324.409 3.620 20 0 DHADHM CC[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000820939104 607011578 /nfs/dbraw/zinc/01/15/78/607011578.db2.gz QRAXXKWDGXHYLQ-HNNXBMFYSA-N -1 3 324.409 3.620 20 0 DHADHM FC1(F)CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826370145 608053251 /nfs/dbraw/zinc/05/32/51/608053251.db2.gz FTQGLOGSZSSEBZ-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826370145 608053252 /nfs/dbraw/zinc/05/32/52/608053252.db2.gz FTQGLOGSZSSEBZ-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825097737 608071636 /nfs/dbraw/zinc/07/16/36/608071636.db2.gz YNEXGNSSORVYJU-VIFPVBQESA-N -1 3 321.812 3.531 20 0 DHADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825097737 608071637 /nfs/dbraw/zinc/07/16/37/608071637.db2.gz YNEXGNSSORVYJU-VIFPVBQESA-N -1 3 321.812 3.531 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000826274863 608299958 /nfs/dbraw/zinc/29/99/58/608299958.db2.gz HHTXVHUNUGGCLK-MEDUHNTESA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000826274863 608299960 /nfs/dbraw/zinc/29/99/60/608299960.db2.gz HHTXVHUNUGGCLK-MEDUHNTESA-N -1 3 320.400 3.621 20 0 DHADHM CC(C)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824347906 608478670 /nfs/dbraw/zinc/47/86/70/608478670.db2.gz SADVZOVZSLIURM-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CC(C)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824347906 608478671 /nfs/dbraw/zinc/47/86/71/608478671.db2.gz SADVZOVZSLIURM-UHFFFAOYSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825717826 608753430 /nfs/dbraw/zinc/75/34/30/608753430.db2.gz QUOXSZJWSXTOJZ-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825717826 608753434 /nfs/dbraw/zinc/75/34/34/608753434.db2.gz QUOXSZJWSXTOJZ-ZDUSSCGKSA-N -1 3 307.401 3.911 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC000826299668 609158254 /nfs/dbraw/zinc/15/82/54/609158254.db2.gz PFHXZGGMBKOSTQ-GOSISDBHSA-N -1 3 319.412 3.973 20 0 DHADHM Cc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC000826299668 609158255 /nfs/dbraw/zinc/15/82/55/609158255.db2.gz PFHXZGGMBKOSTQ-GOSISDBHSA-N -1 3 319.412 3.973 20 0 DHADHM FCc1ccc(CSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826370335 609183930 /nfs/dbraw/zinc/18/39/30/609183930.db2.gz NPTSELDFAICRRL-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM FCc1ccc(CSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826370335 609183931 /nfs/dbraw/zinc/18/39/31/609183931.db2.gz NPTSELDFAICRRL-UHFFFAOYSA-N -1 3 314.389 3.770 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000826291677 609255152 /nfs/dbraw/zinc/25/51/52/609255152.db2.gz QJYGSZMZCKKTGO-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000826291677 609255153 /nfs/dbraw/zinc/25/51/53/609255153.db2.gz QJYGSZMZCKKTGO-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268725 609267336 /nfs/dbraw/zinc/26/73/36/609267336.db2.gz KRLIMYMCRGJIIK-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826268725 609267338 /nfs/dbraw/zinc/26/73/38/609267338.db2.gz KRLIMYMCRGJIIK-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268724 609267378 /nfs/dbraw/zinc/26/73/78/609267378.db2.gz KRLIMYMCRGJIIK-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826268724 609267379 /nfs/dbraw/zinc/26/73/79/609267379.db2.gz KRLIMYMCRGJIIK-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM CSc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000826231659 609310341 /nfs/dbraw/zinc/31/03/41/609310341.db2.gz URSWCDKPVBMEBD-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM CSc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000826231659 609310343 /nfs/dbraw/zinc/31/03/43/609310343.db2.gz URSWCDKPVBMEBD-UHFFFAOYSA-N -1 3 314.439 3.881 20 0 DHADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826320891 609348652 /nfs/dbraw/zinc/34/86/52/609348652.db2.gz IYRGBLDEJXMXBU-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM Cc1cscc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826320891 609348654 /nfs/dbraw/zinc/34/86/54/609348654.db2.gz IYRGBLDEJXMXBU-VIFPVBQESA-N -1 3 303.366 3.549 20 0 DHADHM CCCc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825348344 609475642 /nfs/dbraw/zinc/47/56/42/609475642.db2.gz GNHWSPPINXVKRQ-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCCc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825348344 609475644 /nfs/dbraw/zinc/47/56/44/609475644.db2.gz GNHWSPPINXVKRQ-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825735679 947304611 /nfs/dbraw/zinc/30/46/11/947304611.db2.gz SKWQXRWMIFGGGD-QWHCGFSZSA-N -1 3 307.401 3.731 20 0 DHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825735679 947304624 /nfs/dbraw/zinc/30/46/24/947304624.db2.gz SKWQXRWMIFGGGD-QWHCGFSZSA-N -1 3 307.401 3.731 20 0 DHADHM CCCCC[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525060201 948538705 /nfs/dbraw/zinc/53/87/05/948538705.db2.gz TWYFPHSFTFSACG-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525060201 948538708 /nfs/dbraw/zinc/53/87/08/948538708.db2.gz TWYFPHSFTFSACG-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM C[C@@H]1CCC[C@H](CCSc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001576154677 949352424 /nfs/dbraw/zinc/35/24/24/949352424.db2.gz QZHQYKVHAKNNJC-VXGBXAGGSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@@H]1CCC[C@H](CCSc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001576154677 949352445 /nfs/dbraw/zinc/35/24/45/949352445.db2.gz QZHQYKVHAKNNJC-VXGBXAGGSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CCC[C@@H](CCSc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001576154675 949353167 /nfs/dbraw/zinc/35/31/67/949353167.db2.gz QZHQYKVHAKNNJC-RYUDHWBXSA-N -1 3 303.435 3.570 20 0 DHADHM C[C@H]1CCC[C@@H](CCSc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001576154675 949353187 /nfs/dbraw/zinc/35/31/87/949353187.db2.gz QZHQYKVHAKNNJC-RYUDHWBXSA-N -1 3 303.435 3.570 20 0 DHADHM CC(C)(C)c1ccc(CCNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573882332 950777534 /nfs/dbraw/zinc/77/75/34/950777534.db2.gz ZLPASNXGZKLFFN-UHFFFAOYSA-N -1 3 321.428 3.819 20 0 DHADHM CC(C)(C)c1ccc(CCNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573882332 950777547 /nfs/dbraw/zinc/77/75/47/950777547.db2.gz ZLPASNXGZKLFFN-UHFFFAOYSA-N -1 3 321.428 3.819 20 0 DHADHM O=C([O-])CC1(NCc2nc(Cl)ccc2Cl)CCCCC1 ZINC001594983227 950990088 /nfs/dbraw/zinc/99/00/88/950990088.db2.gz PJGDFWBFMPOVSP-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424425365 953482833 /nfs/dbraw/zinc/48/28/33/953482833.db2.gz YORVDKHWSYDFSW-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc(CN(Cc2ccc(C(=O)[O-])s2)CC2CC2)cn1 ZINC000652433137 954085501 /nfs/dbraw/zinc/08/55/01/954085501.db2.gz TVHZONHXFZTQBD-UHFFFAOYSA-N -1 3 316.426 3.562 20 0 DHADHM CSc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000037918896 957335955 /nfs/dbraw/zinc/33/59/55/957335955.db2.gz VVSZPQIGICZGQN-UHFFFAOYSA-N -1 3 301.411 3.739 20 0 DHADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccccc1Cl ZINC000043594178 957438849 /nfs/dbraw/zinc/43/88/49/957438849.db2.gz UPBNKKABIYJWLV-INIZCTEOSA-N -1 3 301.773 3.524 20 0 DHADHM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccnc(Cl)c1 ZINC001603242273 972390607 /nfs/dbraw/zinc/39/06/07/972390607.db2.gz BNLULIBDYMLQAP-VQISRLSMSA-N -1 3 316.788 3.699 20 0 DHADHM CSCc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC001594187988 959139135 /nfs/dbraw/zinc/13/91/35/959139135.db2.gz GXXXDDGYANVJCD-UHFFFAOYSA-N -1 3 301.411 3.538 20 0 DHADHM C[C@@H](C(=O)[O-])N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001588597596 959394610 /nfs/dbraw/zinc/39/46/10/959394610.db2.gz VPFKDOCHNMQLDQ-VIFPVBQESA-N -1 3 302.201 3.646 20 0 DHADHM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584124 959963816 /nfs/dbraw/zinc/96/38/16/959963816.db2.gz LDMDITMTXFSIMH-PTRXPTGYSA-N -1 3 302.201 3.849 20 0 DHADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(Cl)o1 ZINC000519027019 1013261703 /nfs/dbraw/zinc/26/17/03/1013261703.db2.gz NXTDTEGPJXIAJP-UHFFFAOYSA-N -1 3 323.139 3.624 20 0 DHADHM CCCC[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262702100 961814221 /nfs/dbraw/zinc/81/42/21/961814221.db2.gz KYBGRZGRFLNWOR-LLVKDONJSA-N -1 3 310.444 3.605 20 0 DHADHM COc1cc(/C(C#N)=C/c2cc(C)c([O-])c(C)c2)ccc1[N+](=O)[O-] ZINC000091540529 1013302340 /nfs/dbraw/zinc/30/23/40/1013302340.db2.gz SLTJIRARUDOVDZ-OVCLIPMQSA-N -1 3 324.336 3.990 20 0 DHADHM Cc1ccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000094085594 1013321662 /nfs/dbraw/zinc/32/16/62/1013321662.db2.gz MGGSWOJMQMMMEB-UHFFFAOYSA-N -1 3 311.381 3.691 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN1CC[C@@H](C(=O)[O-])C1 ZINC000263438451 962616496 /nfs/dbraw/zinc/61/64/96/962616496.db2.gz VIPYFSIEFFEFAP-LLVKDONJSA-N -1 3 313.850 3.747 20 0 DHADHM Cc1cc(C)c(CCNC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000683380040 1013365829 /nfs/dbraw/zinc/36/58/29/1013365829.db2.gz AHTQMGULRYRJEW-UHFFFAOYSA-N -1 3 317.816 3.943 20 0 DHADHM Cc1ccc(F)c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000277121234 962846956 /nfs/dbraw/zinc/84/69/56/962846956.db2.gz AZBSSJMAMNHSRL-GUYCJALGSA-N -1 3 301.361 3.686 20 0 DHADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366591 1013381282 /nfs/dbraw/zinc/38/12/82/1013381282.db2.gz BZKGGAWNOGWHIV-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM CCN1CCN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000340171120 1013388315 /nfs/dbraw/zinc/38/83/15/1013388315.db2.gz IQQVNAMMBDZSJN-UHFFFAOYSA-N -1 3 316.788 3.532 20 0 DHADHM CC[C@H](c1ccc(F)cc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315945425 963957074 /nfs/dbraw/zinc/95/70/74/963957074.db2.gz HVPRFTJBODWTMZ-OCCSQVGLSA-N -1 3 319.298 3.616 20 0 DHADHM Cn1ccc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC000349206395 1013488461 /nfs/dbraw/zinc/48/84/61/1013488461.db2.gz BBLHELXJHGMYCH-UHFFFAOYSA-N -1 3 300.745 3.790 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2ccc(Cl)cc2n1 ZINC000340332680 1013499701 /nfs/dbraw/zinc/49/97/01/1013499701.db2.gz YKSCGURLBZYZSQ-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1cccc(F)c1 ZINC000426768266 1013502337 /nfs/dbraw/zinc/50/23/37/1013502337.db2.gz WUCYBLPLSFCFLD-AWEZNQCLSA-N -1 3 311.715 3.534 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H](C2CCCCC2)C1 ZINC000618182547 1013596073 /nfs/dbraw/zinc/59/60/73/1013596073.db2.gz KKTUCRSNRKTRSP-HNNXBMFYSA-N -1 3 324.424 3.571 20 0 DHADHM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(F)ccc1[O-] ZINC000530897384 1013659717 /nfs/dbraw/zinc/65/97/17/1013659717.db2.gz YCAPAHMWUAEWRC-UHFFFAOYSA-N -1 3 323.751 3.981 20 0 DHADHM CN(CC(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000152286648 1013743506 /nfs/dbraw/zinc/74/35/06/1013743506.db2.gz LPLOUWANTTZXCM-UHFFFAOYSA-N -1 3 319.351 3.515 20 0 DHADHM Cc1ccncc1Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000664985424 1013782849 /nfs/dbraw/zinc/78/28/49/1013782849.db2.gz RSQWVUUVUOEWEM-UHFFFAOYSA-N -1 3 309.369 3.860 20 0 DHADHM CC(C)c1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000113731761 1013880905 /nfs/dbraw/zinc/88/09/05/1013880905.db2.gz OUQKMPZZIACMJN-UHFFFAOYSA-N -1 3 306.365 3.904 20 0 DHADHM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000261950980 1014009469 /nfs/dbraw/zinc/00/94/69/1014009469.db2.gz MZDBCZKWUONKDH-LBPRGKRZSA-N -1 3 315.335 3.782 20 0 DHADHM CC[C@@H]1CCC[C@@H](CN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000394528974 972718222 /nfs/dbraw/zinc/71/82/22/972718222.db2.gz VZRZSULVNGQRQW-IIDMSEBBSA-N -1 3 301.430 3.887 20 0 DHADHM COc1cccc2ncnc(Nc3cccc([O-])c3Cl)c21 ZINC001210855821 1014073586 /nfs/dbraw/zinc/07/35/86/1014073586.db2.gz ZFINVYNXYSNYCP-UHFFFAOYSA-N -1 3 301.733 3.741 20 0 DHADHM Cc1cccc([C@@H](NCc2ccccc2OC(C)C)C(=O)[O-])c1 ZINC001605328858 973189763 /nfs/dbraw/zinc/18/97/63/973189763.db2.gz FIXQSANFZUKJLV-GOSISDBHSA-N -1 3 313.397 3.698 20 0 DHADHM Cc1cccc([C@@H](NC2CCC(C(=O)[O-])CC2)c2ccccn2)c1 ZINC001605330151 973205496 /nfs/dbraw/zinc/20/54/96/973205496.db2.gz NZMLVACBAHXEIG-GXOAENINSA-N -1 3 324.424 3.712 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC001606483840 973970691 /nfs/dbraw/zinc/97/06/91/973970691.db2.gz SZSOXYSKGPCDCR-VIFPVBQESA-N -1 3 307.337 3.611 20 0 DHADHM CC(C)(C)c1nc(CNCCC(C)(C)CCC(=O)[O-])cs1 ZINC000087676998 1014172332 /nfs/dbraw/zinc/17/23/32/1014172332.db2.gz WVYRUEMKKWPGIK-UHFFFAOYSA-N -1 3 312.479 3.811 20 0 DHADHM CCOc1cccc(Cl)c1CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001603875712 974377321 /nfs/dbraw/zinc/37/73/21/974377321.db2.gz KXGPKGBRGBKXCZ-BXUZGUMPSA-N -1 3 311.809 3.566 20 0 DHADHM C[C@@H]1CC[C@@H](C)N(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000564662341 974551315 /nfs/dbraw/zinc/55/13/15/974551315.db2.gz YKRXYUDDTMZESB-VXGBXAGGSA-N -1 3 311.809 3.537 20 0 DHADHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(CC)CC ZINC000565106448 974571654 /nfs/dbraw/zinc/57/16/54/974571654.db2.gz QDABUYPCQSXTMT-HUUCEWRRSA-N -1 3 323.433 3.702 20 0 DHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2oncc2C(=O)[O-])cc1 ZINC000567359502 974632898 /nfs/dbraw/zinc/63/28/98/974632898.db2.gz XGYSHTQKCWTJKR-DYVFJYSZSA-N -1 3 314.385 3.654 20 0 DHADHM CCOc1ccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000569981417 974703029 /nfs/dbraw/zinc/70/30/29/974703029.db2.gz CHZKYOZFAVQVTN-GFCCVEGCSA-N -1 3 303.358 3.570 20 0 DHADHM C[C@H](CN(Cc1cccc(Cl)c1Cl)C1CC1)C(=O)[O-] ZINC000575929373 974804010 /nfs/dbraw/zinc/80/40/10/974804010.db2.gz XUAUHTZTABAWBL-SECBINFHSA-N -1 3 302.201 3.679 20 0 DHADHM CN(Cc1ccc(C(C)(C)C)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000652372316 975515543 /nfs/dbraw/zinc/51/55/43/975515543.db2.gz AVDMAZIXFVYCDX-QGZVFWFLSA-N -1 3 312.413 3.637 20 0 DHADHM O=C([O-])c1ccc(CN2CCCC[C@@H]2Cc2ccccc2F)o1 ZINC000652507767 975567975 /nfs/dbraw/zinc/56/79/75/975567975.db2.gz MTMXUDOYWPAFFT-CQSZACIVSA-N -1 3 317.360 3.714 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cc(F)cc(Br)c1 ZINC000706648760 1014269365 /nfs/dbraw/zinc/26/93/65/1014269365.db2.gz MKHSGGZMJIXJIH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1cc([C@@H](C)N2CCC(c3ccco3)CC2)oc1C(=O)[O-] ZINC000656756155 975684833 /nfs/dbraw/zinc/68/48/33/975684833.db2.gz BUTYCQHATFZYSR-GFCCVEGCSA-N -1 3 303.358 3.820 20 0 DHADHM CC(C)c1[nH]c(CN(C)C[C@@H](C)c2nccs2)cc1C(=O)[O-] ZINC001591910262 976315043 /nfs/dbraw/zinc/31/50/43/976315043.db2.gz AFGOCRFEHQQJMB-LLVKDONJSA-N -1 3 321.446 3.528 20 0 DHADHM CC(C)c1[nH]c(CN2CCCC3(CCCC3)C2)cc1C(=O)[O-] ZINC001591912177 976337824 /nfs/dbraw/zinc/33/78/24/976337824.db2.gz FTTSPNDYLIPVBP-UHFFFAOYSA-N -1 3 304.434 3.993 20 0 DHADHM CC(C)c1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001591912391 976344465 /nfs/dbraw/zinc/34/44/65/976344465.db2.gz LWEBGGFQMHGZFI-UONOGXRCSA-N -1 3 304.434 3.848 20 0 DHADHM CC(C)c1[nH]c(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1C(=O)[O-] ZINC001591912476 976346866 /nfs/dbraw/zinc/34/68/66/976346866.db2.gz NPOBFDVGSBNHOR-QRWLVFNGSA-N -1 3 324.424 3.610 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000190666526 1014332358 /nfs/dbraw/zinc/33/23/58/1014332358.db2.gz MQYLFWXFGJKXJE-CYBMUJFWSA-N -1 3 315.335 3.751 20 0 DHADHM CC(C)c1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)c(C(C)C)c1 ZINC001591954486 976526435 /nfs/dbraw/zinc/52/64/35/976526435.db2.gz XIXTZSSDXXYDKC-SFHVURJKSA-N -1 3 307.409 3.932 20 0 DHADHM CC(C)c1ccc(O[C@H](C)CNCc2cc(C(=O)[O-])co2)cc1 ZINC001592709853 979196266 /nfs/dbraw/zinc/19/62/66/979196266.db2.gz PGWCHYYSBPPXQU-CYBMUJFWSA-N -1 3 317.385 3.658 20 0 DHADHM C/C(=C\CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000846240875 979418884 /nfs/dbraw/zinc/41/88/84/979418884.db2.gz NTBMBGQJJZSJLM-UXBLZVDNSA-N -1 3 314.212 3.989 20 0 DHADHM CCCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000065268770 1014581969 /nfs/dbraw/zinc/58/19/69/1014581969.db2.gz QEFZSNDPKAFKQG-UHFFFAOYSA-N -1 3 310.246 3.850 20 0 DHADHM Cc1ccc(S[C@H](C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128292592 1014583984 /nfs/dbraw/zinc/58/39/84/1014583984.db2.gz QMUUVHXJQIIZER-LLVKDONJSA-N -1 3 305.374 3.959 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])cs1)CCC2 ZINC000872159704 980045710 /nfs/dbraw/zinc/04/57/10/980045710.db2.gz YJRCSCWHKPRZJZ-ZDUSSCGKSA-N -1 3 322.455 3.721 20 0 DHADHM CCCC[C@H](CC)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166277 980061558 /nfs/dbraw/zinc/06/15/58/980061558.db2.gz GKNBZNFHDYKTRZ-AWEZNQCLSA-N -1 3 319.445 3.968 20 0 DHADHM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1OC ZINC001595277035 980304743 /nfs/dbraw/zinc/30/47/43/980304743.db2.gz OXLHWVHKKPMQGX-RDJZCZTQSA-N -1 3 317.360 3.701 20 0 DHADHM CC[C@H](N[C@H](CO)c1sccc1C)c1ccc(C(=O)[O-])cc1 ZINC001595281562 980336274 /nfs/dbraw/zinc/33/62/74/980336274.db2.gz QRAUMUCAJXNQJE-LSDHHAIUSA-N -1 3 319.426 3.529 20 0 DHADHM CC[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(C(=O)[O-])cc1 ZINC001595284163 980353438 /nfs/dbraw/zinc/35/34/38/980353438.db2.gz QBCRATKUUJIPOJ-IRXDYDNUSA-N -1 3 311.381 3.819 20 0 DHADHM CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001595316842 980486951 /nfs/dbraw/zinc/48/69/51/980486951.db2.gz IXBCJYSXMVCZPN-MEDUHNTESA-N -1 3 302.349 3.721 20 0 DHADHM O=C([O-])C1(CNCc2c(Cl)cncc2Cl)CCCCC1 ZINC000901784159 980514213 /nfs/dbraw/zinc/51/42/13/980514213.db2.gz RGWXYFBMMMTQJB-UHFFFAOYSA-N -1 3 317.216 3.513 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@@H]1C[C@H]1c1cccs1 ZINC000901908190 980621617 /nfs/dbraw/zinc/62/16/17/980621617.db2.gz QHSNHYPYXXPGOS-VPOLOUISSA-N -1 3 322.455 3.746 20 0 DHADHM Cc1cccc(CC[C@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000901912134 980623544 /nfs/dbraw/zinc/62/35/44/980623544.db2.gz OORMRWCIKUXCQY-STQMWFEESA-N -1 3 318.442 3.822 20 0 DHADHM CC(C)Oc1ccc(CNCc2csc(C(=O)[O-])c2)cc1 ZINC000902096241 980731273 /nfs/dbraw/zinc/73/12/73/980731273.db2.gz GLVPZNLXPYICMB-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000128676677 1014686392 /nfs/dbraw/zinc/68/63/92/1014686392.db2.gz OGDNYXVQOYLASR-MWLCHTKSSA-N -1 3 307.271 3.552 20 0 DHADHM C[C@]1(c2cccc(F)c2)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902348744 980843611 /nfs/dbraw/zinc/84/36/11/980843611.db2.gz MDFZDGJKXVUWGO-KRWDZBQOSA-N -1 3 319.401 3.749 20 0 DHADHM Cc1oc(CN2CC[C@](C)(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000902351310 980846237 /nfs/dbraw/zinc/84/62/37/980846237.db2.gz YORZKUWQCRIACY-SFHVURJKSA-N -1 3 317.360 3.589 20 0 DHADHM CCC(CC)c1cc(C(=O)[N-]c2sccc2C(=O)OC)on1 ZINC000151540513 1014696261 /nfs/dbraw/zinc/69/62/61/1014696261.db2.gz FBMJHBJMSDDQSS-UHFFFAOYSA-N -1 3 322.386 3.679 20 0 DHADHM O=C([O-])CC[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000904011883 981080216 /nfs/dbraw/zinc/08/02/16/981080216.db2.gz KLVHREARCJAKBE-GOSISDBHSA-N -1 3 324.424 3.656 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ncccc1Oc1ccccc1 ZINC000442575282 1014705085 /nfs/dbraw/zinc/70/50/85/1014705085.db2.gz ZZGLHEUDGHKKJW-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(C(=O)[O-])cn2)C(C)(C)C)c1 ZINC000905725941 981123623 /nfs/dbraw/zinc/12/36/23/981123623.db2.gz AESRTWUPAHZTTO-QGZVFWFLSA-N -1 3 312.413 3.965 20 0 DHADHM C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000905726118 981124889 /nfs/dbraw/zinc/12/48/89/981124889.db2.gz HWPFNIZJVILNFY-SCLBCKFNSA-N -1 3 310.397 3.583 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H](CC2CCC2)c2ccccc2)nc1 ZINC000905727687 981126508 /nfs/dbraw/zinc/12/65/08/981126508.db2.gz LTWSEKJAPDDXPQ-SFHVURJKSA-N -1 3 310.397 3.801 20 0 DHADHM CC[C@@](C)(CC(=O)[O-])NCc1cc(-c2ccccc2Cl)on1 ZINC001594824802 981981745 /nfs/dbraw/zinc/98/17/45/981981745.db2.gz FHBFLBOMCRJJRQ-INIZCTEOSA-N -1 3 322.792 3.728 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)/C=C\C(C)C)nc(=O)c2c1C ZINC000785042200 1014787278 /nfs/dbraw/zinc/78/72/78/1014787278.db2.gz KOUAPJFTABFOAM-GFVADAIESA-N -1 3 320.414 3.830 20 0 DHADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000521843319 1014813910 /nfs/dbraw/zinc/81/39/10/1014813910.db2.gz GEYDLWDFOUIVMG-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM CCCCCCN(Cc1ccco1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001595709190 982291334 /nfs/dbraw/zinc/29/13/34/982291334.db2.gz VFRRLLIARUXOJL-INIZCTEOSA-N -1 3 321.417 3.809 20 0 DHADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1c(F)cccc1Cl ZINC000656568970 1014873491 /nfs/dbraw/zinc/87/34/91/1014873491.db2.gz ULKCIBPNJHDVQE-YGRLFVJLSA-N -1 3 313.800 3.848 20 0 DHADHM CC(C)(C)c1cnc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)s1 ZINC000656568013 1014871519 /nfs/dbraw/zinc/87/15/19/1014871519.db2.gz OCCBHZDDWCCVSC-NEPJUHHUSA-N -1 3 324.490 3.810 20 0 DHADHM CS[C@@H]1CC[C@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001118253296 982948163 /nfs/dbraw/zinc/94/81/63/982948163.db2.gz IDZHUCWIHZWROS-WDEREUQCSA-N -1 3 313.850 3.754 20 0 DHADHM CS[C@@H]1CC[C@@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001118253287 982948254 /nfs/dbraw/zinc/94/82/54/982948254.db2.gz IDZHUCWIHZWROS-GHMZBOCLSA-N -1 3 313.850 3.754 20 0 DHADHM CC(C)c1nnc([N-]C(=O)c2ccc(-c3cccs3)o2)s1 ZINC000341093145 1014905139 /nfs/dbraw/zinc/90/51/39/1014905139.db2.gz MEZOWMLROJPFAO-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DHADHM C[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)[C@H]1C ZINC000581494052 1014929738 /nfs/dbraw/zinc/92/97/38/1014929738.db2.gz TXFWENPFDFMNCQ-RYUDHWBXSA-N -1 3 311.809 3.537 20 0 DHADHM C[C@@H]1[C@@H](C)CCCN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000581494051 1014930417 /nfs/dbraw/zinc/93/04/17/1014930417.db2.gz TXFWENPFDFMNCQ-NWDGAFQWSA-N -1 3 311.809 3.537 20 0 DHADHM CCOc1cc(CN[C@H]2CCCC2(F)F)cc(Cl)c1[O-] ZINC000656625288 1014967560 /nfs/dbraw/zinc/96/75/60/1014967560.db2.gz KWFZKZKEXPUMPJ-LBPRGKRZSA-N -1 3 305.752 3.722 20 0 DHADHM COc1ccc(C)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255318149 1014985927 /nfs/dbraw/zinc/98/59/27/1014985927.db2.gz FISNWEXFBFWFJR-KTKRTIGZSA-N -1 3 321.373 3.555 20 0 DHADHM CSc1c(F)cccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000656658243 1015017383 /nfs/dbraw/zinc/01/73/83/1015017383.db2.gz LFBIBPMTRGEWJZ-UHFFFAOYSA-N -1 3 305.378 3.533 20 0 DHADHM CSc1ncc(Cl)cc1Nc1ncc(Cl)cc1[O-] ZINC001215915333 1015031494 /nfs/dbraw/zinc/03/14/94/1015031494.db2.gz VCCHFHMSTCICJX-UHFFFAOYSA-N -1 3 302.186 3.955 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029046174 1015101664 /nfs/dbraw/zinc/10/16/64/1015101664.db2.gz GKGJPZWPNFIJDR-UHFFFAOYSA-N -1 3 305.399 3.585 20 0 DHADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CCC2CC2)c1 ZINC000656742075 1015116340 /nfs/dbraw/zinc/11/63/40/1015116340.db2.gz XBNFZPMNJWXEMO-UHFFFAOYSA-N -1 3 307.337 3.556 20 0 DHADHM Cc1cc(CN2CCC[C@H]2/C=C/c2ccccc2)oc1C(=O)[O-] ZINC000581672124 1015192423 /nfs/dbraw/zinc/19/24/23/1015192423.db2.gz URWDDFQHAORZQG-SCOAYWHSSA-N -1 3 311.381 3.964 20 0 DHADHM Cc1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)oc1C(=O)[O-] ZINC000581672127 1015192708 /nfs/dbraw/zinc/19/27/08/1015192708.db2.gz URWDDFQHAORZQG-ZNFPLGDCSA-N -1 3 311.381 3.964 20 0 DHADHM CSCCCSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000840215777 1015194319 /nfs/dbraw/zinc/19/43/19/1015194319.db2.gz SEWNDRBSWSSDIF-UHFFFAOYSA-N -1 3 310.440 3.793 20 0 DHADHM CCOc1ccccc1[C@H](CC)NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001597172197 987001312 /nfs/dbraw/zinc/00/13/12/987001312.db2.gz DDFJJRZEDMYWGJ-HNNXBMFYSA-N -1 3 316.401 3.661 20 0 DHADHM CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597258612 987271234 /nfs/dbraw/zinc/27/12/34/987271234.db2.gz PTURDWRYFJEFHW-OUAUKWLOSA-N -1 3 314.476 3.556 20 0 DHADHM CCSc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001597280285 987352301 /nfs/dbraw/zinc/35/23/01/987352301.db2.gz YKFOBGMBCHWRLN-INIZCTEOSA-N -1 3 301.411 3.714 20 0 DHADHM CCc1[nH]c(CN2C[C@@H](C)C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383369 987582589 /nfs/dbraw/zinc/58/25/89/987582589.db2.gz DUNWFHVIEHLBOC-SCLBCKFNSA-N -1 3 312.413 3.858 20 0 DHADHM CCc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001597568743 988326670 /nfs/dbraw/zinc/32/66/70/988326670.db2.gz LQLKMXLGPQYMLR-QGZVFWFLSA-N -1 3 311.381 3.561 20 0 DHADHM CCc1ccc2c(c1)CN(Cc1ccc(C)c(C(=O)[O-])c1)CC2 ZINC001597569061 988329607 /nfs/dbraw/zinc/32/96/07/988329607.db2.gz OIVHBPDNNNUVCO-UHFFFAOYSA-N -1 3 309.409 3.814 20 0 DHADHM CCc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])cs1)CCO2 ZINC001597569410 988334604 /nfs/dbraw/zinc/33/46/04/988334604.db2.gz UPAUQPKJCXEINZ-HNNXBMFYSA-N -1 3 317.410 3.622 20 0 DHADHM COC(=O)c1cc(C)c(C(=O)[N-]c2ccc(C)cc2SC)o1 ZINC000891598516 1015436348 /nfs/dbraw/zinc/43/63/48/1015436348.db2.gz LKUKCMIYKHVACK-UHFFFAOYSA-N -1 3 319.382 3.657 20 0 DHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)CC(F)(F)F ZINC000840516588 1015555131 /nfs/dbraw/zinc/55/51/31/1015555131.db2.gz GAIGQZUAEAOIDG-QMMMGPOBSA-N -1 3 317.332 3.925 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000098127022 1015579394 /nfs/dbraw/zinc/57/93/94/1015579394.db2.gz GWXMGDWONVVSAL-MRXNPFEDSA-N -1 3 315.344 3.517 20 0 DHADHM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001599621733 994093845 /nfs/dbraw/zinc/09/38/45/994093845.db2.gz TVSOQOUGDZLLFI-LBPRGKRZSA-N -1 3 317.360 3.692 20 0 DHADHM C[C@@H](NCC1(Cc2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593246626 994455813 /nfs/dbraw/zinc/45/58/13/994455813.db2.gz BOWZVKDPGZLEGI-GFCCVEGCSA-N -1 3 316.426 3.515 20 0 DHADHM CC(C)[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)Nc1ccccc1 ZINC001593246904 994460113 /nfs/dbraw/zinc/46/01/13/994460113.db2.gz PIBQWFLBTJAOMP-BBRMVZONSA-N -1 3 316.401 3.765 20 0 DHADHM C[C@@H](NCCCc1ccccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593268162 994592186 /nfs/dbraw/zinc/59/21/86/994592186.db2.gz TUXCYUHMKOFYMR-SNVBAGLBSA-N -1 3 324.833 3.778 20 0 DHADHM COc1cccc([C@H](C)NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001599657007 994597004 /nfs/dbraw/zinc/59/70/04/994597004.db2.gz KFGDELOMRQDFTM-LBPRGKRZSA-N -1 3 316.401 3.696 20 0 DHADHM COc1cccc([C@@H](N[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599659928 994640786 /nfs/dbraw/zinc/64/07/86/994640786.db2.gz QDJPJHPWUTXWPC-BDJLRTHQSA-N -1 3 319.788 3.825 20 0 DHADHM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)c([O-])c1 ZINC001144973778 1032133786 /nfs/dbraw/zinc/13/37/86/1032133786.db2.gz FBRZPGZPDQDZHY-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001593690509 996135986 /nfs/dbraw/zinc/13/59/86/996135986.db2.gz RRAOSVGLSDMJGU-UWVGGRQHSA-N -1 3 305.296 3.703 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)c([O-])c1 ZINC000107640271 1032136917 /nfs/dbraw/zinc/13/69/17/1032136917.db2.gz YYRXTFDEGPVXRK-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2C)cc1F ZINC001599512288 997318554 /nfs/dbraw/zinc/31/85/54/997318554.db2.gz ZJRIXVMFTRIHNS-SJCJKPOMSA-N -1 3 317.360 3.619 20 0 DHADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000277325350 1016201123 /nfs/dbraw/zinc/20/11/23/1016201123.db2.gz CMDFAPILVWNUKZ-UONOGXRCSA-N -1 3 313.850 3.840 20 0 DHADHM [O-]c1cccc(CN2CCC[C@H](CCF)C2)c1Br ZINC000668591659 1016293652 /nfs/dbraw/zinc/29/36/52/1016293652.db2.gz FIWNPGNECCBQAK-LLVKDONJSA-N -1 3 316.214 3.726 20 0 DHADHM O=C(Nc1ncccc1[O-])c1csc(C2CCCCC2)n1 ZINC000622504844 1016437528 /nfs/dbraw/zinc/43/75/28/1016437528.db2.gz CCEDROJWLZJFPO-UHFFFAOYSA-N -1 3 303.387 3.544 20 0 DHADHM Cc1cnc(Nc2c(F)ccc([O-])c2F)c(Br)c1 ZINC001175261238 1034911193 /nfs/dbraw/zinc/91/11/93/1034911193.db2.gz HVQDFNQGQWLATD-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCCF)c1 ZINC000622629261 1016493148 /nfs/dbraw/zinc/49/31/48/1016493148.db2.gz GXOVCJAFDWNVKR-UHFFFAOYSA-N -1 3 303.333 3.555 20 0 DHADHM CC(C)C(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000336860037 1016725217 /nfs/dbraw/zinc/72/52/17/1016725217.db2.gz NANFJRYJPUNIPE-UHFFFAOYSA-N -1 3 302.349 3.738 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(C1CC1)C1CCCC1 ZINC000623017764 1016828579 /nfs/dbraw/zinc/82/85/79/1016828579.db2.gz IVKKAHHJIRUPBG-UHFFFAOYSA-N -1 3 313.319 3.958 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000175827033 1016889609 /nfs/dbraw/zinc/88/96/09/1016889609.db2.gz ICUVYBOHWRZPHG-UHFFFAOYSA-N -1 3 323.270 3.866 20 0 DHADHM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1(C)C ZINC000444245481 1016893225 /nfs/dbraw/zinc/89/32/25/1016893225.db2.gz JRTVEXJFXPRZBP-KOLCDFICSA-N -1 3 309.793 3.626 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OC(C)C ZINC000614732174 1016992560 /nfs/dbraw/zinc/99/25/60/1016992560.db2.gz KQAHYMFITIUANJ-UHFFFAOYSA-N -1 3 323.389 3.722 20 0 DHADHM C[C@@H]1SCCN(C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000118300885 1032242325 /nfs/dbraw/zinc/24/23/25/1032242325.db2.gz PHQHHCVUEALGAZ-GUYCJALGSA-N -1 3 313.422 3.711 20 0 DHADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1snnc1C1CC1 ZINC000362186606 1032265073 /nfs/dbraw/zinc/26/50/73/1032265073.db2.gz ZUFWBEGMMDWDJX-UHFFFAOYSA-N -1 3 315.732 3.599 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)Cc2ccc(C)s2)c1 ZINC001147204328 1032288272 /nfs/dbraw/zinc/28/82/72/1032288272.db2.gz LUOIKCQOOZIZHX-JTQLQIEISA-N -1 3 321.467 3.845 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnccc1C(F)(F)F ZINC001147269986 1032296677 /nfs/dbraw/zinc/29/66/77/1032296677.db2.gz LKGCAZQIWBHOPZ-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM COc1cccc(C(=O)Nc2cccc3c(C)c(C)[nH]c32)c1[O-] ZINC001148203052 1032376822 /nfs/dbraw/zinc/37/68/22/1032376822.db2.gz XXWGKHQFIZBTTQ-UHFFFAOYSA-N -1 3 310.353 3.751 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3c(C)ccnc3c2)c1[O-] ZINC001148202015 1032377972 /nfs/dbraw/zinc/37/79/72/1032377972.db2.gz KCYJIBJDYDLBHI-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1ccc2ncc(NC(=O)c3ccc(C)cc3[O-])cc2c1 ZINC001148491807 1032409209 /nfs/dbraw/zinc/40/92/09/1032409209.db2.gz BXYFPPBISGZCSX-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1cccc([O-])c1C(=O)N1CCCC2(C1)CCCCCC2 ZINC001148554041 1032413624 /nfs/dbraw/zinc/41/36/24/1032413624.db2.gz YSGDZFADDOSFGT-UHFFFAOYSA-N -1 3 317.429 3.977 20 0 DHADHM Cc1nc(C)c(COC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC000751735524 1032577477 /nfs/dbraw/zinc/57/74/77/1032577477.db2.gz UHVQPFLSFFRDQQ-UHFFFAOYSA-N -1 3 315.753 3.615 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000049406234 1011899386 /nfs/dbraw/zinc/89/93/86/1011899386.db2.gz SFJJBDCJZJUJGM-PYEVWLCESA-N -1 3 317.801 3.698 20 0 DHADHM FC(F)(F)c1cccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c1 ZINC001213500182 1011976006 /nfs/dbraw/zinc/97/60/06/1011976006.db2.gz AUQYINVTKNKACX-UHFFFAOYSA-N -1 3 314.654 3.799 20 0 DHADHM CCc1ccc(-c2nc([C@@H](C)c3nccs3)no2)c([O-])c1 ZINC000424352571 1011996275 /nfs/dbraw/zinc/99/62/75/1011996275.db2.gz GMPGFKATKRFRII-SECBINFHSA-N -1 3 301.371 3.613 20 0 DHADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC001625781934 1012100735 /nfs/dbraw/zinc/10/07/35/1012100735.db2.gz VNQJODXHBJSRRW-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2)cc1 ZINC000683171470 1012239183 /nfs/dbraw/zinc/23/91/83/1012239183.db2.gz MCEGWEHKNRUUOG-MRXNPFEDSA-N -1 3 319.788 3.654 20 0 DHADHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000514807417 1012445185 /nfs/dbraw/zinc/44/51/85/1012445185.db2.gz RJAJZSKIKCDAHZ-INIZCTEOSA-N -1 3 315.800 3.969 20 0 DHADHM Cc1cccc(C(=O)Nc2c(F)cccc2N2CCCC2)c1[O-] ZINC000109103171 1012504994 /nfs/dbraw/zinc/50/49/94/1012504994.db2.gz XKNZEIGBWAXWND-UHFFFAOYSA-N -1 3 314.360 3.692 20 0 DHADHM CC(C)C1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000579843212 1012527287 /nfs/dbraw/zinc/52/72/87/1012527287.db2.gz XTZGABKCELNKIZ-HNNXBMFYSA-N -1 3 313.800 3.973 20 0 DHADHM CCc1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1[O-] ZINC000538749780 1012548611 /nfs/dbraw/zinc/54/86/11/1012548611.db2.gz GGBNOWNRHCGSSK-NSHDSACASA-N -1 3 301.411 3.776 20 0 DHADHM COc1cc(C)c(C(=O)Nc2c([O-])cccc2Cl)cc1OC ZINC000577988867 1012664198 /nfs/dbraw/zinc/66/41/98/1012664198.db2.gz FIDGOIMOPLTXKZ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2CC2CCCC2)c([O-])c1 ZINC000655368956 1012708287 /nfs/dbraw/zinc/70/82/87/1012708287.db2.gz ZZFBHJYLCQVKQW-CQSZACIVSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1ccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)co2)cc1 ZINC000516976042 1012877923 /nfs/dbraw/zinc/87/79/23/1012877923.db2.gz RZGHZAFBRWILLR-UHFFFAOYSA-N -1 3 316.401 3.583 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1c[nH]c2ccccc12 ZINC000517035825 1012895185 /nfs/dbraw/zinc/89/51/85/1012895185.db2.gz SBWNGWLTBZDHOT-UHFFFAOYSA-N -1 3 312.369 3.790 20 0 DHADHM CCSc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000339006717 1032672441 /nfs/dbraw/zinc/67/24/41/1032672441.db2.gz AJZQVGNFNVFIBE-UHFFFAOYSA-N -1 3 308.790 3.805 20 0 DHADHM [O-]c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1F ZINC000892282566 1017183218 /nfs/dbraw/zinc/18/32/18/1017183218.db2.gz YCGHMIJZCQDGNV-MRXNPFEDSA-N -1 3 317.360 3.701 20 0 DHADHM CC(C)[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000350001952 1032687052 /nfs/dbraw/zinc/68/70/52/1032687052.db2.gz IOSYHXPCMWVURQ-QGZVFWFLSA-N -1 3 315.438 3.759 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000075469342 1017310299 /nfs/dbraw/zinc/31/02/99/1017310299.db2.gz ISVHXEHMLBWJIW-UHFFFAOYSA-N -1 3 315.320 3.550 20 0 DHADHM CNC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000007582962 1017335900 /nfs/dbraw/zinc/33/59/00/1017335900.db2.gz RYQZADYRYVDZAR-UHFFFAOYSA-N -1 3 315.423 3.585 20 0 DHADHM CC(C)Sc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000180164739 1017387339 /nfs/dbraw/zinc/38/73/39/1017387339.db2.gz VAFUCSBCKISWSO-UHFFFAOYSA-N -1 3 312.398 3.711 20 0 DHADHM CC(C)COc1ccc(CC(=O)[N-]OCc2ccccc2)cc1 ZINC000303345957 1017397402 /nfs/dbraw/zinc/39/74/02/1017397402.db2.gz XBCUJLYIJDLMTE-UHFFFAOYSA-N -1 3 313.397 3.512 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(F)c1 ZINC000339007853 1032698181 /nfs/dbraw/zinc/69/81/81/1032698181.db2.gz XYBDGNRKIYXMIF-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153418322 1017678081 /nfs/dbraw/zinc/67/80/81/1017678081.db2.gz ZOTFNTUKRVPNTF-NSHDSACASA-N -1 3 305.761 3.589 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C2CCC1CC2 ZINC000523511241 1017714827 /nfs/dbraw/zinc/71/48/27/1017714827.db2.gz ULAQNXQGVPERFC-UHFFFAOYSA-N -1 3 321.420 3.944 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)c(Cl)c1F ZINC000181252372 1017737716 /nfs/dbraw/zinc/73/77/16/1017737716.db2.gz PIDCWKLRPJIJTM-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000625658864 1017751118 /nfs/dbraw/zinc/75/11/18/1017751118.db2.gz KYSQCZVJKUPYBD-OAHLLOKOSA-N -1 3 313.422 3.631 20 0 DHADHM CCCn1c(C[N-]c2nnc(-c3ccco3)o2)nc2ccccc21 ZINC000181488417 1017757165 /nfs/dbraw/zinc/75/71/65/1017757165.db2.gz TYIPARFCSIWIPD-UHFFFAOYSA-N -1 3 323.356 3.701 20 0 DHADHM Cc1cc2cc(C[N-]c3nnc([C@H]4CCCO4)o3)oc2cc1C ZINC000181798844 1017814641 /nfs/dbraw/zinc/81/46/41/1017814641.db2.gz BAWJSZSSPMAXMG-CQSZACIVSA-N -1 3 313.357 3.896 20 0 DHADHM CCOCc1nnc([N-]Cc2cc3cc(C)c(C)cc3o2)o1 ZINC000181848999 1017821299 /nfs/dbraw/zinc/82/12/99/1017821299.db2.gz BVTJTLPINRAICD-UHFFFAOYSA-N -1 3 301.346 3.581 20 0 DHADHM CCC[C@@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000623350952 1017838733 /nfs/dbraw/zinc/83/87/33/1017838733.db2.gz CTMQZSLGHBLQND-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000674256053 1017902461 /nfs/dbraw/zinc/90/24/61/1017902461.db2.gz HUYHLCZWVRNILD-UHFFFAOYSA-N -1 3 302.330 3.941 20 0 DHADHM O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc([O-])ccc1Cl ZINC000342972126 1017923957 /nfs/dbraw/zinc/92/39/57/1017923957.db2.gz OFQJFMBCXPZTFJ-ZDUSSCGKSA-N -1 3 324.163 3.563 20 0 DHADHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000524872871 1018116554 /nfs/dbraw/zinc/11/65/54/1018116554.db2.gz QTUPHEBEVDYHRN-JQWIXIFHSA-N -1 3 319.829 3.726 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001212526417 1018214313 /nfs/dbraw/zinc/21/43/13/1018214313.db2.gz CAMGADFYSHVJQN-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCCc3occc32)c1Br ZINC000315231655 1032754300 /nfs/dbraw/zinc/75/43/00/1032754300.db2.gz JVVOINZFEPTYNZ-LBPRGKRZSA-N -1 3 322.202 3.915 20 0 DHADHM C[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)CCC1=O ZINC001142106049 1018319396 /nfs/dbraw/zinc/31/93/96/1018319396.db2.gz XKZQKTPWLWIIDD-VIFPVBQESA-N -1 3 302.201 3.500 20 0 DHADHM [O-]c1cc(Cl)cnc1Nc1ccc(OCC(F)F)cc1 ZINC001213301258 1032758556 /nfs/dbraw/zinc/75/85/56/1032758556.db2.gz FDIKPCDHRQBMDQ-UHFFFAOYSA-N -1 3 300.692 3.828 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OC2CCCC2)S1 ZINC000874928580 1032763176 /nfs/dbraw/zinc/76/31/76/1032763176.db2.gz RSVOQEMWSPYDCL-MDWZMJQESA-N -1 3 323.801 3.985 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3F)s2)S1 ZINC000874928142 1032764438 /nfs/dbraw/zinc/76/44/38/1032764438.db2.gz OTDSNEOOFQSBRF-GHXNOFRVSA-N -1 3 305.355 3.878 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3F)no2)n1 ZINC001213698005 1018497449 /nfs/dbraw/zinc/49/74/49/1018497449.db2.gz JUAVVFSHLDFSHQ-UHFFFAOYSA-N -1 3 305.696 3.605 20 0 DHADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)s1 ZINC000527108700 1018514552 /nfs/dbraw/zinc/51/45/52/1018514552.db2.gz WSHLLRPPEZGGBX-SECBINFHSA-N -1 3 320.805 3.554 20 0 DHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cccc2n[n-]nc21 ZINC000527105224 1018515884 /nfs/dbraw/zinc/51/58/84/1018515884.db2.gz DZUREIWBEHHHAA-KRWDZBQOSA-N -1 3 320.396 3.619 20 0 DHADHM O=C(CCc1cnc2ccccc2c1)Nc1cccc([O-])c1F ZINC000527169603 1018523775 /nfs/dbraw/zinc/52/37/75/1018523775.db2.gz RHPYXLBEOKEDEZ-UHFFFAOYSA-N -1 3 310.328 3.651 20 0 DHADHM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000343300162 1018567598 /nfs/dbraw/zinc/56/75/98/1018567598.db2.gz PWXOYIUHVDUKNX-UHFFFAOYSA-N -1 3 321.808 3.621 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000278368394 1018621317 /nfs/dbraw/zinc/62/13/17/1018621317.db2.gz MDOKLCQIGYGBFT-UHFFFAOYSA-N -1 3 321.726 3.850 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1nccc(Cl)c1F ZINC001116681397 1018751981 /nfs/dbraw/zinc/75/19/81/1018751981.db2.gz MRBOONRVBILSRO-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM CSc1nc(NC(=O)C=C2CCC(C(C)(C)C)CC2)n[n-]1 ZINC000765342506 1018761600 /nfs/dbraw/zinc/76/16/00/1018761600.db2.gz GLPVIGJUORZKRC-UHFFFAOYSA-N -1 3 308.451 3.628 20 0 DHADHM O=C([O-])CN(Cc1ccc(-c2cccc(F)c2)s1)C1CCC1 ZINC000656100416 1018787490 /nfs/dbraw/zinc/78/74/90/1018787490.db2.gz LMCDIBKIKGNPNC-UHFFFAOYSA-N -1 3 319.401 3.993 20 0 DHADHM O=C([O-])CN(Cc1cc(-c2ccccc2)cs1)C1CCC1 ZINC000656100759 1018790580 /nfs/dbraw/zinc/79/05/80/1018790580.db2.gz OEJCXVJYJUQIED-UHFFFAOYSA-N -1 3 301.411 3.854 20 0 DHADHM COc1cc(F)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471701802 1018920569 /nfs/dbraw/zinc/92/05/69/1018920569.db2.gz QZRVXDNPMDNFCP-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C ZINC000006919677 1018985908 /nfs/dbraw/zinc/98/59/08/1018985908.db2.gz ITHQTNOFSVPHOZ-UHFFFAOYSA-N -1 3 301.411 3.593 20 0 DHADHM C[C@@]1(NCc2cccc([O-])c2Cl)CCOc2ccccc21 ZINC000923026396 1018989990 /nfs/dbraw/zinc/98/99/90/1018989990.db2.gz UZLFYXMWWWYEBJ-QGZVFWFLSA-N -1 3 303.789 3.833 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)CC(C)C)c2)n1 ZINC000765611232 1018998101 /nfs/dbraw/zinc/99/81/01/1018998101.db2.gz OQVHBMLKTGZTSA-LBPRGKRZSA-N -1 3 314.385 3.745 20 0 DHADHM CC1(C)CCc2ccccc2[C@@H]([N-]c2nnc(C(F)F)o2)C1 ZINC000330362446 1019023803 /nfs/dbraw/zinc/02/38/03/1019023803.db2.gz ZNWCMWUTXLDTCA-LBPRGKRZSA-N -1 3 307.344 4.523 20 0 DHADHM FC(F)c1nnc([N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000278694455 1019051427 /nfs/dbraw/zinc/05/14/27/1019051427.db2.gz MGYUTZPLPQPRDS-NXEZZACHSA-N -1 3 315.707 3.603 20 0 DHADHM CCCCCc1nnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000026557244 1019127102 /nfs/dbraw/zinc/12/71/02/1019127102.db2.gz WEIYTMRWEBXRTL-UHFFFAOYSA-N -1 3 305.403 3.537 20 0 DHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2ccccc2o1 ZINC000029288646 1019172874 /nfs/dbraw/zinc/17/28/74/1019172874.db2.gz FWENDZOQUNQVGD-UHFFFAOYSA-N -1 3 313.260 3.555 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC000081779973 1019230529 /nfs/dbraw/zinc/23/05/29/1019230529.db2.gz VLDXYUUOZCQGLQ-AWEZNQCLSA-N -1 3 313.372 3.723 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000626046570 1019269559 /nfs/dbraw/zinc/26/95/59/1019269559.db2.gz JENFUWVVJSELMN-INIZCTEOSA-N -1 3 323.392 3.578 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1F)c1cccc2ccccc21 ZINC000084460797 1019270121 /nfs/dbraw/zinc/27/01/21/1019270121.db2.gz VWZZSSYEJGJYPK-UHFFFAOYSA-N -1 3 319.332 3.919 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)c1 ZINC000404966940 1019291270 /nfs/dbraw/zinc/29/12/70/1019291270.db2.gz IZGYIAKHCMBMNG-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2ccccc2)n1 ZINC001212477931 1019397542 /nfs/dbraw/zinc/39/75/42/1019397542.db2.gz QOPYESPOQKMALD-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM [O-]c1c(Cl)c(Cl)ccc1NC[C@H](O)c1ccc(F)cc1 ZINC001252852653 1032828592 /nfs/dbraw/zinc/82/85/92/1032828592.db2.gz AAWAKQMYBRQKKY-LBPRGKRZSA-N -1 3 316.159 3.984 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1csc(Br)n1 ZINC001212479632 1019411984 /nfs/dbraw/zinc/41/19/84/1019411984.db2.gz IWNWCPMWIZGVEQ-UHFFFAOYSA-N -1 3 307.119 3.633 20 0 DHADHM [O-]c1c(Cl)c(Cl)ccc1NC[C@@H](O)c1ccc(F)cc1 ZINC001252852652 1032829609 /nfs/dbraw/zinc/82/96/09/1032829609.db2.gz AAWAKQMYBRQKKY-GFCCVEGCSA-N -1 3 316.159 3.984 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(CCSC)cc2)c1[O-] ZINC000170771490 1019429069 /nfs/dbraw/zinc/42/90/69/1019429069.db2.gz YYDQSNFIRRFXPA-UHFFFAOYSA-N -1 3 317.410 3.559 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ncccc1N1CCCCC1 ZINC001212484179 1019447364 /nfs/dbraw/zinc/44/73/64/1019447364.db2.gz OUOVAAQWDRINSY-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM COc1cc(OC)c(F)c(Nc2cc(F)cc(F)c2[O-])c1F ZINC001212486266 1019463324 /nfs/dbraw/zinc/46/33/24/1019463324.db2.gz UESXFEAESJUKHG-UHFFFAOYSA-N -1 3 317.238 3.709 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000624324919 1019510646 /nfs/dbraw/zinc/51/06/46/1019510646.db2.gz ZAUTXGTZQABYRA-MRXNPFEDSA-N -1 3 313.372 3.687 20 0 DHADHM COc1ccc(C(C)C)cc1CN1CCC(CC(=O)[O-])CC1 ZINC000049915464 1019551289 /nfs/dbraw/zinc/55/12/89/1019551289.db2.gz GBBKJHYHRJIAOP-UHFFFAOYSA-N -1 3 305.418 3.505 20 0 DHADHM CC(Cl)(Cl)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1F ZINC001171708277 1032843581 /nfs/dbraw/zinc/84/35/81/1032843581.db2.gz LAEMEKPOPJEHME-UHFFFAOYSA-N -1 3 318.990 3.943 20 0 DHADHM C=Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000142343343 1019663808 /nfs/dbraw/zinc/66/38/08/1019663808.db2.gz BUTKQFDMIBYDPX-UHFFFAOYSA-N -1 3 311.765 3.923 20 0 DHADHM CO[C@]1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279818707 1019682205 /nfs/dbraw/zinc/68/22/05/1019682205.db2.gz AFTZJCSVJWWHLZ-LJQANCHMSA-N -1 3 313.397 3.577 20 0 DHADHM O=C(N[C@@H]1COc2ccc(F)cc21)c1cc([O-])c2ccccc2c1 ZINC000525930687 1019729077 /nfs/dbraw/zinc/72/90/77/1019729077.db2.gz HYNIZLCZCFDJIN-MRXNPFEDSA-N -1 3 323.323 3.548 20 0 DHADHM O=C(N[C@H]1CCc2c1cccc2O)c1cc([O-])c2ccccc2c1 ZINC000527164057 1019744102 /nfs/dbraw/zinc/74/41/02/1019744102.db2.gz LXWGKQDZQNZGEB-KRWDZBQOSA-N -1 3 319.360 3.668 20 0 DHADHM Cc1cnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)o1 ZINC000443933153 1019761191 /nfs/dbraw/zinc/76/11/91/1019761191.db2.gz DTRBSEOBIYMRGA-UHFFFAOYSA-N -1 3 303.705 3.544 20 0 DHADHM C[C@@H]1CCSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281212155 1019767546 /nfs/dbraw/zinc/76/75/46/1019767546.db2.gz MZURCFGCPGUYJA-GFCCVEGCSA-N -1 3 301.411 3.513 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CCS1 ZINC000281162184 1019768770 /nfs/dbraw/zinc/76/87/70/1019768770.db2.gz JBCIQWCJNJZQFK-LBPRGKRZSA-N -1 3 301.411 3.513 20 0 DHADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3c(C)noc3C)s2)o1 ZINC000063447181 1019803202 /nfs/dbraw/zinc/80/32/02/1019803202.db2.gz GHHOZLABNXYWAW-UHFFFAOYSA-N -1 3 317.370 3.877 20 0 DHADHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000290718336 1019918953 /nfs/dbraw/zinc/91/89/53/1019918953.db2.gz LDBHKEWUMNVUBF-LLVKDONJSA-N -1 3 321.726 3.849 20 0 DHADHM O=C(Nc1ccc2c(c1)OCCO2)c1cc([O-])c2ccccc2c1 ZINC000352294483 1019958145 /nfs/dbraw/zinc/95/81/45/1019958145.db2.gz QKHRLEPQUVYYBD-UHFFFAOYSA-N -1 3 321.332 3.569 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1Cc2ccccc2S1 ZINC000067145519 1019974006 /nfs/dbraw/zinc/97/40/06/1019974006.db2.gz BESDFIXWXQMIDH-CQSZACIVSA-N -1 3 305.786 3.701 20 0 DHADHM O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc(Cl)cc1[O-] ZINC000255636205 1020098244 /nfs/dbraw/zinc/09/82/44/1020098244.db2.gz CGSNZWHCRXMJTK-RJRFIUFISA-N -1 3 309.152 3.746 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000731863795 1020164552 /nfs/dbraw/zinc/16/45/52/1020164552.db2.gz FWEQMHQKLHRGDI-UHFFFAOYSA-N -1 3 321.380 3.885 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCSC(C)(C)C)n[n-]2)o1 ZINC000733064956 1020326872 /nfs/dbraw/zinc/32/68/72/1020326872.db2.gz UQONPTSAONLRTH-UHFFFAOYSA-N -1 3 308.403 3.667 20 0 DHADHM Cc1ccc(-c2cc(C(=O)OCCSC(C)(C)C)[n-]n2)o1 ZINC000733064956 1020326879 /nfs/dbraw/zinc/32/68/79/1020326879.db2.gz UQONPTSAONLRTH-UHFFFAOYSA-N -1 3 308.403 3.667 20 0 DHADHM CSC[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281676859 1020343843 /nfs/dbraw/zinc/34/38/43/1020343843.db2.gz UICIKNJWKRJJBS-CQSZACIVSA-N -1 3 301.411 3.513 20 0 DHADHM CC[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H](CC)O1 ZINC000421983070 1020379614 /nfs/dbraw/zinc/37/96/14/1020379614.db2.gz QMFVDDIISCZOBW-IYBDPMFKSA-N -1 3 313.397 3.575 20 0 DHADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc(=O)c2ccccc2[n-]1 ZINC000673721266 1020459789 /nfs/dbraw/zinc/45/97/89/1020459789.db2.gz HPBFHNGEPNNOAT-SOUVJXGZSA-N -1 3 324.424 3.617 20 0 DHADHM Cc1ccc(N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C2CCC2)cc1 ZINC000923642670 1032905644 /nfs/dbraw/zinc/90/56/44/1032905644.db2.gz XRQOXYIZVWLDIZ-UHFFFAOYSA-N -1 3 323.396 3.567 20 0 DHADHM Cc1nonc1C(=O)[N-]c1cc(F)ccc1Oc1ccccc1 ZINC000733930893 1020532500 /nfs/dbraw/zinc/53/25/00/1020532500.db2.gz LXRLNFGFKFYBDX-UHFFFAOYSA-N -1 3 313.288 3.562 20 0 DHADHM O=c1[n-]c(N[C@H]2CCCc3cccnc32)c(Cl)cc1Cl ZINC001168649149 1020550324 /nfs/dbraw/zinc/55/03/24/1020550324.db2.gz DBEOZAVBKYYETC-NSHDSACASA-N -1 3 310.184 3.979 20 0 DHADHM CCSCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132685090 1020566403 /nfs/dbraw/zinc/56/64/03/1020566403.db2.gz CEVCEVKJGRNNOH-UHFFFAOYSA-N -1 3 319.401 3.714 20 0 DHADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000734498678 1020616417 /nfs/dbraw/zinc/61/64/17/1020616417.db2.gz SEBCZNULIJGDAE-SECBINFHSA-N -1 3 324.273 3.954 20 0 DHADHM O=C(Cc1ccc2ccccc2c1)[N-]OCCOc1ccccc1 ZINC000738294420 1020872212 /nfs/dbraw/zinc/87/22/12/1020872212.db2.gz MAWNZCMMIGIIID-UHFFFAOYSA-N -1 3 321.376 3.509 20 0 DHADHM O=c1cc(Nc2c(Cl)ccc([O-])c2F)n(C2CCCC2)[nH]1 ZINC001214554651 1020929221 /nfs/dbraw/zinc/92/92/21/1020929221.db2.gz XWOHDRCPBQQFCQ-UHFFFAOYSA-N -1 3 311.744 3.946 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000613400369 1020935737 /nfs/dbraw/zinc/93/57/37/1020935737.db2.gz ZXWORHICNIQXCU-WHOFXGATSA-N -1 3 305.443 3.765 20 0 DHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3ccco3)n2)cc1 ZINC000174555735 1020985609 /nfs/dbraw/zinc/98/56/09/1020985609.db2.gz JDXSNOKEDSILEE-UHFFFAOYSA-N -1 3 317.395 3.843 20 0 DHADHM Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3[O-])cc12 ZINC000175613810 1021061885 /nfs/dbraw/zinc/06/18/85/1021061885.db2.gz ISTIPZRTEHEQKK-UHFFFAOYSA-N -1 3 321.789 3.555 20 0 DHADHM CC[C@H](NC(=S)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000737460806 1021097702 /nfs/dbraw/zinc/09/77/02/1021097702.db2.gz XVILZWINYJHMKF-LBPRGKRZSA-N -1 3 324.446 3.708 20 0 DHADHM CSc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414374648 1021148232 /nfs/dbraw/zinc/14/82/32/1021148232.db2.gz VPDJNULTDIDESX-XJKSGUPXSA-N -1 3 319.451 3.706 20 0 DHADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)c2ccccc21 ZINC000462515925 1021179086 /nfs/dbraw/zinc/17/90/86/1021179086.db2.gz VYTGJAUMSWZRBE-SNVBAGLBSA-N -1 3 323.787 3.706 20 0 DHADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1F ZINC000617994264 1021212507 /nfs/dbraw/zinc/21/25/07/1021212507.db2.gz IWEMCQVSYWIRNX-SFHVURJKSA-N -1 3 319.351 3.726 20 0 DHADHM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000128412589 1021246167 /nfs/dbraw/zinc/24/61/67/1021246167.db2.gz FEKZYDBUFVHVMG-GFCCVEGCSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337408104 1032975378 /nfs/dbraw/zinc/97/53/78/1032975378.db2.gz ORASYRVAAGRBKQ-UHFFFAOYSA-N -1 3 312.348 3.781 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1OC(F)F ZINC000129178843 1021446098 /nfs/dbraw/zinc/44/60/98/1021446098.db2.gz GCQFKSMFNUDNRY-UHFFFAOYSA-N -1 3 315.222 3.524 20 0 DHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cccc([O-])c1F ZINC000129337452 1021464427 /nfs/dbraw/zinc/46/44/27/1021464427.db2.gz BHGNYTNYHQYUKI-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM CCc1cccc2c(CC(=O)Nc3cccc([O-])c3F)c[nH]c21 ZINC000129351680 1021468953 /nfs/dbraw/zinc/46/89/53/1021468953.db2.gz QSCZDDHZFRKOLW-UHFFFAOYSA-N -1 3 312.344 3.756 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC3=CCCCC3)c2)n1 ZINC000744217017 1021472807 /nfs/dbraw/zinc/47/28/07/1021472807.db2.gz MZSYOCHRSVBBQV-UHFFFAOYSA-N -1 3 324.380 3.954 20 0 DHADHM CCC1(CC)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000618673526 1021475488 /nfs/dbraw/zinc/47/54/88/1021475488.db2.gz ZJVICJHNTUKQBC-UHFFFAOYSA-N -1 3 312.413 3.571 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/CC[C@H]1CCCCO1 ZINC000182202960 1021536403 /nfs/dbraw/zinc/53/64/03/1021536403.db2.gz OREHKSHCUCPCKF-BVTUPMQUSA-N -1 3 312.207 3.533 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)/C=C/C3CC3)nc(=O)c2c1C ZINC000745558299 1021734554 /nfs/dbraw/zinc/73/45/54/1021734554.db2.gz XMVZYCPVALRODU-XCODYQFDSA-N -1 3 318.398 3.584 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)c2cccc3ccccc32)c1 ZINC000619606846 1021806388 /nfs/dbraw/zinc/80/63/88/1021806388.db2.gz HRIBZDCBALSEFY-UHFFFAOYSA-N -1 3 307.349 3.831 20 0 DHADHM CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152847666 1021846255 /nfs/dbraw/zinc/84/62/55/1021846255.db2.gz SZIGWZNOSGSJJA-AWEZNQCLSA-N -1 3 308.397 3.642 20 0 DHADHM O=C(C=C1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000919842100 1021927279 /nfs/dbraw/zinc/92/72/79/1021927279.db2.gz YNJDEKJPALIGTP-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM O=C([N-]Cc1ccccc1F)C(F)(F)c1cccc(Cl)c1 ZINC000921000329 1022199164 /nfs/dbraw/zinc/19/91/64/1022199164.db2.gz JKBFHUYVCQWJPJ-UHFFFAOYSA-N -1 3 313.706 3.887 20 0 DHADHM C[C@@H](NCc1nnc(C(C)(C)C)s1)c1cc([O-])cc(F)c1 ZINC000925529492 1022226219 /nfs/dbraw/zinc/22/62/19/1022226219.db2.gz YWHMENWVAXZMRC-SECBINFHSA-N -1 3 309.410 3.531 20 0 DHADHM Cc1noc(Cl)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153639943 1022233265 /nfs/dbraw/zinc/23/32/65/1022233265.db2.gz UFQUTTYVCNAYSW-UHFFFAOYSA-N -1 3 315.156 3.567 20 0 DHADHM Cc1cnn(Cc2ccncc2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212588687 1022350036 /nfs/dbraw/zinc/35/00/36/1022350036.db2.gz YSAGEVNZUOBTGV-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(CC(F)(F)F)n1 ZINC001212589246 1022358544 /nfs/dbraw/zinc/35/85/44/1022358544.db2.gz CAFLJCLCCSKGJO-UHFFFAOYSA-N -1 3 305.687 3.856 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000854131374 1022410331 /nfs/dbraw/zinc/41/03/31/1022410331.db2.gz LNUGEUDCBSGIGS-UHFFFAOYSA-N -1 3 311.307 3.978 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000854131374 1022410340 /nfs/dbraw/zinc/41/03/40/1022410340.db2.gz LNUGEUDCBSGIGS-UHFFFAOYSA-N -1 3 311.307 3.978 20 0 DHADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000155593878 1022410867 /nfs/dbraw/zinc/41/08/67/1022410867.db2.gz HTRMDQBBECLRIP-QGZVFWFLSA-N -1 3 316.376 3.728 20 0 DHADHM COc1nc(C)nc(Cl)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590337 1022410883 /nfs/dbraw/zinc/41/08/83/1022410883.db2.gz HWAVJFPEVPHPLY-UHFFFAOYSA-N -1 3 300.145 3.550 20 0 DHADHM COc1cccc2ncnc(Nc3ccc(Cl)c([O-])c3)c21 ZINC001212591286 1022450441 /nfs/dbraw/zinc/45/04/41/1022450441.db2.gz DYGRJZKRKZBOOV-UHFFFAOYSA-N -1 3 301.733 3.741 20 0 DHADHM Cc1cnn(CC2CCOCC2)c1Nc1ccc(Cl)c([O-])c1 ZINC001212591354 1022450846 /nfs/dbraw/zinc/45/08/46/1022450846.db2.gz HXDDIFQLXNQQCW-UHFFFAOYSA-N -1 3 321.808 3.721 20 0 DHADHM O=C([N-]c1ncsc1C1CC1)c1ncsc1C(F)(F)F ZINC000893274903 1022472264 /nfs/dbraw/zinc/47/22/64/1022472264.db2.gz MDOVKGARUSLGKL-UHFFFAOYSA-N -1 3 319.333 3.748 20 0 DHADHM CCN(CCO)c1ccc(Nc2ccc(Cl)c([O-])c2)c(C)c1 ZINC001212593222 1022485755 /nfs/dbraw/zinc/48/57/55/1022485755.db2.gz GILUERFETHRJGP-UHFFFAOYSA-N -1 3 320.820 3.916 20 0 DHADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1OC ZINC001212592464 1022490019 /nfs/dbraw/zinc/49/00/19/1022490019.db2.gz RFPQAKSOSBBNHR-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM O=C(CC[C@H]1CC1(Cl)Cl)Nc1c([O-])cccc1Cl ZINC000854652669 1022507728 /nfs/dbraw/zinc/50/77/28/1022507728.db2.gz RYODARFPBQZXDY-ZETCQYMHSA-N -1 3 308.592 3.958 20 0 DHADHM [O-]c1cccnc1CNc1ccc2ccc(C(F)(F)F)cc2n1 ZINC001169727239 1022508399 /nfs/dbraw/zinc/50/83/99/1022508399.db2.gz RZIFWMQKYNKRAY-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM CCc1cc(Br)cc(NCc2ncccc2[O-])c1 ZINC001169733876 1022527772 /nfs/dbraw/zinc/52/77/72/1022527772.db2.gz ZSMJXIPNBQKWAQ-UHFFFAOYSA-N -1 3 307.191 3.724 20 0 DHADHM Cc1cc(OCc2ccccc2)ncc1NCc1ncccc1[O-] ZINC001169732998 1022528015 /nfs/dbraw/zinc/52/80/15/1022528015.db2.gz QMLRLCXDCMBWTI-UHFFFAOYSA-N -1 3 321.380 3.682 20 0 DHADHM Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)cc1F ZINC000417029211 1022567200 /nfs/dbraw/zinc/56/72/00/1022567200.db2.gz NPFLAQVJBUAFOL-UHFFFAOYSA-N -1 3 307.756 3.773 20 0 DHADHM CSCCSc1nnc([N-]c2ccccc2F)s1 ZINC000010077461 1022592714 /nfs/dbraw/zinc/59/27/14/1022592714.db2.gz YVJLKUSWNMRZEI-UHFFFAOYSA-N -1 3 301.437 3.876 20 0 DHADHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000180072447 1022628582 /nfs/dbraw/zinc/62/85/82/1022628582.db2.gz CNXUSURXTNDZCA-QGZVFWFLSA-N -1 3 321.779 3.758 20 0 DHADHM CC(C)n1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C1CC1 ZINC000158904777 1022674320 /nfs/dbraw/zinc/67/43/20/1022674320.db2.gz CXJOQWSPDUNXGY-UHFFFAOYSA-N -1 3 319.792 3.953 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2cscc2Cl)s1 ZINC000630799240 1022687639 /nfs/dbraw/zinc/68/76/39/1022687639.db2.gz FSXXZUSZOVDGGM-UHFFFAOYSA-N -1 3 301.824 3.704 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000616724257 1022754632 /nfs/dbraw/zinc/75/46/32/1022754632.db2.gz GNNCRLVLKWSWEF-BBRMVZONSA-N -1 3 303.402 3.586 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1sccc1Cl)c1ccccc1 ZINC000417571175 1022787885 /nfs/dbraw/zinc/78/78/85/1022787885.db2.gz XDBAAWCHTQOFQM-QMTHXVAHSA-N -1 3 309.818 3.953 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000621554559 1022793398 /nfs/dbraw/zinc/79/33/98/1022793398.db2.gz OXYVUNAFNFBXJQ-CQSZACIVSA-N -1 3 324.302 3.716 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000584850696 1022811693 /nfs/dbraw/zinc/81/16/93/1022811693.db2.gz LPJIBRMPRGXHIX-IBGZPJMESA-N -1 3 313.372 3.666 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000617095588 1022843915 /nfs/dbraw/zinc/84/39/15/1022843915.db2.gz VHWHZSFSXGFRLQ-UHFFFAOYSA-N -1 3 324.475 3.959 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCC12CCCCC2 ZINC000617108633 1022861216 /nfs/dbraw/zinc/86/12/16/1022861216.db2.gz QVCADDNGZXCMIT-MRXNPFEDSA-N -1 3 305.393 3.693 20 0 DHADHM CCN(Cc1ccoc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621826445 1022900562 /nfs/dbraw/zinc/90/05/62/1022900562.db2.gz DUPFSQZIYRDITA-UHFFFAOYSA-N -1 3 313.275 3.666 20 0 DHADHM CC1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000621834919 1022903118 /nfs/dbraw/zinc/90/31/18/1022903118.db2.gz CFAKEGGYBUBMAY-UHFFFAOYSA-N -1 3 301.308 3.673 20 0 DHADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621941138 1022958387 /nfs/dbraw/zinc/95/83/87/1022958387.db2.gz JNXNAHKZDCOWFM-JOYOIKCWSA-N -1 3 301.308 3.814 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCC[C@H]1C(F)F ZINC000622014958 1022995566 /nfs/dbraw/zinc/99/55/66/1022995566.db2.gz NLNJVLOAYOGNJW-NSHDSACASA-N -1 3 323.261 3.671 20 0 DHADHM O=C(Nc1cccc(C2CC2)n1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622066614 1023016565 /nfs/dbraw/zinc/01/65/65/1023016565.db2.gz KBJPFGKMONIVOL-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM CC(C)c1cccc(CC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000857485014 1023020420 /nfs/dbraw/zinc/02/04/20/1023020420.db2.gz OOJBJARKHHYSGR-UHFFFAOYSA-N -1 3 301.361 3.740 20 0 DHADHM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622105223 1023031758 /nfs/dbraw/zinc/03/17/58/1023031758.db2.gz UXVOFJCAYXOMRW-VIFPVBQESA-N -1 3 301.308 3.672 20 0 DHADHM O=C(NCC1CCC(F)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622123806 1023038136 /nfs/dbraw/zinc/03/81/36/1023038136.db2.gz XNDMZMXPACHJAX-UHFFFAOYSA-N -1 3 319.298 3.669 20 0 DHADHM O=C(Nc1cccc(O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622273732 1023090998 /nfs/dbraw/zinc/09/09/98/1023090998.db2.gz BTMLWHYFGHXEMR-UHFFFAOYSA-N -1 3 319.360 3.941 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCc3cc(OC)ccc32)c1 ZINC000769651273 1023192076 /nfs/dbraw/zinc/19/20/76/1023192076.db2.gz BWOUHMQMNAEDGZ-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2F)cc1 ZINC000769888122 1023241719 /nfs/dbraw/zinc/24/17/19/1023241719.db2.gz BAKHEYFSXAXPHG-UHFFFAOYSA-N -1 3 323.389 3.588 20 0 DHADHM C[C@@H](CCSc1ccccc1)OC(=O)c1cncc([O-])c1 ZINC000770020796 1023262324 /nfs/dbraw/zinc/26/23/24/1023262324.db2.gz XGJFRMXORSELAK-LBPRGKRZSA-N -1 3 303.383 3.515 20 0 DHADHM FC=C(CCc1ccc(F)cc1)CNc1ccc(=S)[n-]n1 ZINC001170050852 1023622881 /nfs/dbraw/zinc/62/28/81/1023622881.db2.gz RVZIRPSCQFPOHY-FMIVXFBMSA-N -1 3 307.369 3.803 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccc2c(c1)CCC2 ZINC000786028747 1023648945 /nfs/dbraw/zinc/64/89/45/1023648945.db2.gz KIAVUJBXUSSWAL-NSHDSACASA-N -1 3 323.348 3.678 20 0 DHADHM COc1ccc(COC(=O)c2cc3occc3[n-]2)cc1Cl ZINC000786029009 1023653233 /nfs/dbraw/zinc/65/32/33/1023653233.db2.gz BQDRXNQEDGCJDR-UHFFFAOYSA-N -1 3 305.717 3.780 20 0 DHADHM O=C(OCc1coc(-c2cccs2)n1)c1cc2occc2[n-]1 ZINC000786034161 1023654442 /nfs/dbraw/zinc/65/44/42/1023654442.db2.gz XGKNNADKYIQZOB-UHFFFAOYSA-N -1 3 314.322 3.834 20 0 DHADHM O=C([N-]CCCSCc1ccccc1C1CC1)C(F)(F)F ZINC000786057801 1023656647 /nfs/dbraw/zinc/65/66/47/1023656647.db2.gz ZYPWARQUVIXXTC-UHFFFAOYSA-N -1 3 317.376 3.866 20 0 DHADHM C[C@@H](COC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC000786136470 1023666711 /nfs/dbraw/zinc/66/67/11/1023666711.db2.gz HJZWXDVQSZJJCM-ZETCQYMHSA-N -1 3 304.289 3.962 20 0 DHADHM O=C(CCCOc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000596755524 1023741744 /nfs/dbraw/zinc/74/17/44/1023741744.db2.gz BSQORQAKHYGNGZ-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM CCC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000048584166 1023797778 /nfs/dbraw/zinc/79/77/78/1023797778.db2.gz UFZVNLYHTIVAFM-QMMMGPOBSA-N -1 3 311.407 3.881 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2cc3sccc3c([O-])c2)o1 ZINC000788261307 1023867312 /nfs/dbraw/zinc/86/73/12/1023867312.db2.gz MJNZOGWTXPONJG-UHFFFAOYSA-N -1 3 301.367 3.781 20 0 DHADHM C[C@@H]1c2cccn2CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000788274218 1023869501 /nfs/dbraw/zinc/86/95/01/1023869501.db2.gz KGAIPIYJHZPPQQ-LLVKDONJSA-N -1 3 312.394 3.625 20 0 DHADHM O=C([O-])C[C@@H]1CCCCN1CCc1cc(Cl)cc(Cl)c1 ZINC000652463522 1023877305 /nfs/dbraw/zinc/87/73/05/1023877305.db2.gz JNOCDNNIMULBAL-AWEZNQCLSA-N -1 3 316.228 3.865 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2NC2CC2)c1 ZINC000538783554 1033185987 /nfs/dbraw/zinc/18/59/87/1033185987.db2.gz VXBQZNLROQMFHI-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM CCC(CC)(CC)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268261984 1024091808 /nfs/dbraw/zinc/09/18/08/1024091808.db2.gz MSGFARDOINHZQB-UHFFFAOYSA-N -1 3 300.402 3.887 20 0 DHADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452743557 1024177737 /nfs/dbraw/zinc/17/77/37/1024177737.db2.gz AUMIZAGFDVUXMH-YMTOWFKASA-N -1 3 312.207 3.838 20 0 DHADHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)co1 ZINC000187244297 1024186274 /nfs/dbraw/zinc/18/62/74/1024186274.db2.gz OWBRKZRQKOINSB-MRXNPFEDSA-N -1 3 318.332 3.702 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc2c(c1)CCCC2 ZINC000007405130 1024409994 /nfs/dbraw/zinc/40/99/94/1024409994.db2.gz MOTKCCMBZPHWNJ-UHFFFAOYSA-N -1 3 323.364 3.644 20 0 DHADHM O=C(Nc1ccc2c(c1)CCO2)c1cc2sccc2c([O-])c1 ZINC000791340920 1024475074 /nfs/dbraw/zinc/47/50/74/1024475074.db2.gz SETMMRZWUDNFDA-UHFFFAOYSA-N -1 3 311.362 3.794 20 0 DHADHM COc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000436702479 1025190323 /nfs/dbraw/zinc/19/03/23/1025190323.db2.gz FFKLKUWVPABXEC-DYVFJYSZSA-N -1 3 311.381 3.624 20 0 DHADHM O=C(CC(C1CCC1)C1CCC1)NCc1ccc([O-])c(F)c1 ZINC000626194950 1025231163 /nfs/dbraw/zinc/23/11/63/1025231163.db2.gz JPVVXRVRPPMGIZ-UHFFFAOYSA-N -1 3 305.393 3.754 20 0 DHADHM O=C([N-]OCc1ccc(F)cc1)Nc1nc(C2CCC2)cs1 ZINC000282925019 1025241853 /nfs/dbraw/zinc/24/18/53/1025241853.db2.gz FEQFAWXGZWHCCB-UHFFFAOYSA-N -1 3 321.377 3.803 20 0 DHADHM Cn1cc2cccc(CNc3[n-]c(=O)c(Cl)cc3Cl)c2n1 ZINC001168198136 1025250484 /nfs/dbraw/zinc/25/04/84/1025250484.db2.gz FIOOKEFDVZYQQA-UHFFFAOYSA-N -1 3 323.183 3.593 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000436957964 1025255851 /nfs/dbraw/zinc/25/58/51/1025255851.db2.gz YVFDEQWLEJLFBG-KRWDZBQOSA-N -1 3 311.381 3.768 20 0 DHADHM CCCCCN(CCCOC)Cc1c(F)ccc([O-])c1F ZINC000512336165 1025297627 /nfs/dbraw/zinc/29/76/27/1025297627.db2.gz AAPGZEMXRQWJNQ-UHFFFAOYSA-N -1 3 301.377 3.699 20 0 DHADHM [O-]c1cc(O)cc(O[C@@H]2CC3CCC2CC3)c1Br ZINC001229100691 1025324610 /nfs/dbraw/zinc/32/46/10/1025324610.db2.gz VCJRQADFMKQULB-SHVIVCPWSA-N -1 3 313.191 3.818 20 0 DHADHM CC(C)(C)OCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000885622003 1025361917 /nfs/dbraw/zinc/36/19/17/1025361917.db2.gz UYVFAGBJTSTVOC-UHFFFAOYSA-N -1 3 324.384 3.525 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H]1C1CCCC1 ZINC000889407264 1025392760 /nfs/dbraw/zinc/39/27/60/1025392760.db2.gz MKQBOCXARHFORG-MRXNPFEDSA-N -1 3 305.393 3.645 20 0 DHADHM Cc1cc(C(=O)NC(C)C)ccc1NCc1cc([O-])cc(F)c1 ZINC000348359392 1025434150 /nfs/dbraw/zinc/43/41/50/1025434150.db2.gz SUPAUKZCBKGPOW-UHFFFAOYSA-N -1 3 316.376 3.590 20 0 DHADHM O=C([N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(F)(F)C(F)F ZINC001129852159 1025438157 /nfs/dbraw/zinc/43/81/57/1025438157.db2.gz DWPLOVQAUHPVMB-GXSJLCMTSA-N -1 3 323.717 3.993 20 0 DHADHM O=S(=O)([N-]Cc1ccsc1)c1cccc(Cl)c1Cl ZINC000042996319 1025457088 /nfs/dbraw/zinc/45/70/88/1025457088.db2.gz PLWURMLDWPZVDW-UHFFFAOYSA-N -1 3 322.238 3.533 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(Cl)ccn1 ZINC000125352487 1025469319 /nfs/dbraw/zinc/46/93/19/1025469319.db2.gz IDOFXMUMPRSKJX-UHFFFAOYSA-N -1 3 316.666 3.712 20 0 DHADHM CCSCC[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000354827753 1025517606 /nfs/dbraw/zinc/51/76/06/1025517606.db2.gz WVYHSIUHLIUQSN-SNVBAGLBSA-N -1 3 301.839 3.649 20 0 DHADHM C[C@H](NCc1ccc([O-])c(F)c1)c1nc(C2CCCCC2)no1 ZINC000893975410 1025632540 /nfs/dbraw/zinc/63/25/40/1025632540.db2.gz DVKHGGMCVAXPSL-NSHDSACASA-N -1 3 319.380 3.813 20 0 DHADHM FC(F)(NCCC1=CCCCC1)c1cc(Cl)nc(=S)[n-]1 ZINC001157948244 1025684640 /nfs/dbraw/zinc/68/46/40/1025684640.db2.gz IMNOCQHZBUALME-UHFFFAOYSA-N -1 3 319.808 3.948 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc2ccccc2c(Cl)n1 ZINC000179148213 1025876472 /nfs/dbraw/zinc/87/64/72/1025876472.db2.gz BOSUADZLBRYAJV-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)CC(F)(F)F)c1[O-] ZINC000614861747 1025879866 /nfs/dbraw/zinc/87/98/66/1025879866.db2.gz SQHPCMNLKFSOPE-UHFFFAOYSA-N -1 3 303.280 3.512 20 0 DHADHM CSc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1Cl ZINC000841738554 1025997723 /nfs/dbraw/zinc/99/77/23/1025997723.db2.gz QINOZAFLPQROAZ-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM CSc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1Cl ZINC000841738554 1025997727 /nfs/dbraw/zinc/99/77/27/1025997727.db2.gz QINOZAFLPQROAZ-LBPRGKRZSA-N -1 3 316.810 3.642 20 0 DHADHM Cc1oc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1C1CC1 ZINC000887241460 1026140910 /nfs/dbraw/zinc/14/09/10/1026140910.db2.gz RUZHFMHSXMISPQ-UHFFFAOYSA-N -1 3 318.348 3.667 20 0 DHADHM COc1cc(NCc2c(F)ccc([O-])c2F)c(C)c(OC)c1 ZINC000513516645 1026529627 /nfs/dbraw/zinc/52/96/27/1026529627.db2.gz ZFERINWHKZRUNV-UHFFFAOYSA-N -1 3 309.312 3.608 20 0 DHADHM CC(C)(C)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]1 ZINC000810186247 1026702312 /nfs/dbraw/zinc/70/23/12/1026702312.db2.gz JTHIJQNOHMZHJR-UHFFFAOYSA-N -1 3 309.369 3.818 20 0 DHADHM O=C(OC1([C@H]2CCOC2)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810590431 1026793401 /nfs/dbraw/zinc/79/34/01/1026793401.db2.gz LTUHSPGBCXOHQT-VIFPVBQESA-N -1 3 311.790 3.609 20 0 DHADHM C[C@@H]1C[C@@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810659476 1026829649 /nfs/dbraw/zinc/82/96/49/1026829649.db2.gz TYZDUFKGQBFHNS-BDAKNGLRSA-N -1 3 313.806 3.855 20 0 DHADHM CCCCc1nc(NC(=O)C=C(CC)CC)c(C(=O)OCC)[n-]1 ZINC001269123975 1026967521 /nfs/dbraw/zinc/96/75/21/1026967521.db2.gz PLVYYRDQOKAQKW-UHFFFAOYSA-N -1 3 321.421 3.614 20 0 DHADHM Cc1nccn1CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394075 1026991866 /nfs/dbraw/zinc/99/18/66/1026991866.db2.gz KESKVFRPONVSJC-UHFFFAOYSA-N -1 3 323.805 3.635 20 0 DHADHM O=C(OCc1noc(C2CC2)n1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393501 1026992021 /nfs/dbraw/zinc/99/20/21/1026992021.db2.gz KYLKTQBFRQHCQX-UHFFFAOYSA-N -1 3 323.761 3.500 20 0 DHADHM C[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000362252602 1027115637 /nfs/dbraw/zinc/11/56/37/1027115637.db2.gz QMEVOTAOYPBHCI-JQWIXIFHSA-N -1 3 310.357 3.593 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1[O-] ZINC000571318384 1027119882 /nfs/dbraw/zinc/11/98/82/1027119882.db2.gz UIIRINILQMYXOW-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM O=C(CC1(CSc2ccccc2)CC1)[N-]OC/C=C\Cl ZINC000812403586 1027262970 /nfs/dbraw/zinc/26/29/70/1027262970.db2.gz PZFZWPVGURNGIY-WTKPLQERSA-N -1 3 311.834 3.749 20 0 DHADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC/C=C\Cl)c1 ZINC000812407619 1027284489 /nfs/dbraw/zinc/28/44/89/1027284489.db2.gz JMSGMEVRDCSMBC-PRFOUVDFSA-N -1 3 311.809 3.769 20 0 DHADHM O=C(Nc1cccc(C2CCC2)c1)c1nnc2ccccc2c1[O-] ZINC000812659683 1027365264 /nfs/dbraw/zinc/36/52/64/1027365264.db2.gz JQFSDQYKJKQZON-UHFFFAOYSA-N -1 3 319.364 3.855 20 0 DHADHM CN(C(=O)c1ccccc1[O-])[C@@H](c1ccccc1)c1ccccn1 ZINC000364494414 1027829682 /nfs/dbraw/zinc/82/96/82/1027829682.db2.gz NLWRRNYAFILNSE-IBGZPJMESA-N -1 3 318.376 3.649 20 0 DHADHM CSc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000365542668 1027963848 /nfs/dbraw/zinc/96/38/48/1027963848.db2.gz AZLLUMCDKHYJAO-CQSZACIVSA-N -1 3 313.422 3.744 20 0 DHADHM Cc1nc2c(s1)[C@@H](NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000365599535 1027979882 /nfs/dbraw/zinc/97/98/82/1027979882.db2.gz NYHZCNKWCKISRL-ZDUSSCGKSA-N -1 3 322.817 3.618 20 0 DHADHM CC(C)(C)CC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000805543431 1028046293 /nfs/dbraw/zinc/04/62/93/1028046293.db2.gz PSORAFGYBYGMNZ-UHFFFAOYSA-N -1 3 306.383 3.769 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1nccs1 ZINC000366227044 1028064805 /nfs/dbraw/zinc/06/48/05/1028064805.db2.gz FXRUXWALBZBEHV-HNNXBMFYSA-N -1 3 324.405 3.979 20 0 DHADHM CC(C)c1cccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448793884 1028094477 /nfs/dbraw/zinc/09/44/77/1028094477.db2.gz MRSHOCIGAJLAPZ-UHFFFAOYSA-N -1 3 301.361 3.860 20 0 DHADHM [O-]c1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000779070149 1028150132 /nfs/dbraw/zinc/15/01/32/1028150132.db2.gz DFTFNFSIWYVOLT-IBGZPJMESA-N -1 3 308.356 3.806 20 0 DHADHM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc([O-])ccc1Cl ZINC000368674611 1028394096 /nfs/dbraw/zinc/39/40/96/1028394096.db2.gz BAJGYCDAQKHEMA-AULYBMBSSA-N -1 3 319.763 3.861 20 0 DHADHM O=C(Nc1ccnn1C1CCCC1)c1cc([O-])ccc1Cl ZINC000815252836 1028439863 /nfs/dbraw/zinc/43/98/63/1028439863.db2.gz LOAHYTUPWCQLKJ-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1[O-] ZINC000579624490 1028452224 /nfs/dbraw/zinc/45/22/24/1028452224.db2.gz GSHOWNXXBVGODC-UHFFFAOYSA-N -1 3 323.392 3.655 20 0 DHADHM O=C([N-]OC/C=C\Cl)C1(CCCOCc2ccccc2)CC1 ZINC000936058517 1028462419 /nfs/dbraw/zinc/46/24/19/1028462419.db2.gz IQZWVPLECDPIMG-WZUFQYTHSA-N -1 3 323.820 3.564 20 0 DHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(C2CCCC2)CC1 ZINC000371113422 1028670789 /nfs/dbraw/zinc/67/07/89/1028670789.db2.gz MSVZENJFNYKEQT-UHFFFAOYSA-N -1 3 324.424 3.571 20 0 DHADHM O=C1[N-]C(=O)C(=CNc2csc3ccccc23)c2ccccc21 ZINC000778516804 1028673726 /nfs/dbraw/zinc/67/37/26/1028673726.db2.gz HQPOLICJANMTQS-ZROIWOOFSA-N -1 3 320.373 3.624 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627298042 1028748168 /nfs/dbraw/zinc/74/81/68/1028748168.db2.gz ZQRIVNYAFGUTOB-HNNXBMFYSA-N -1 3 313.397 3.933 20 0 DHADHM Cc1cc(C)c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)o1 ZINC000371851496 1028767264 /nfs/dbraw/zinc/76/72/64/1028767264.db2.gz AHDXQGZPCOFYKR-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCCCc1cccc(F)c1 ZINC000778593083 1028909142 /nfs/dbraw/zinc/90/91/42/1028909142.db2.gz UWWKDQZQFJATLT-UHFFFAOYSA-N -1 3 315.388 3.829 20 0 DHADHM [O-]c1ccc(F)c(CNc2cc3c(cc2Cl)OCO3)c1F ZINC000816559508 1028946368 /nfs/dbraw/zinc/94/63/68/1028946368.db2.gz MFWYUQRANYHCSY-UHFFFAOYSA-N -1 3 313.687 3.665 20 0 DHADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c([O-])c1 ZINC000628397280 1029036540 /nfs/dbraw/zinc/03/65/40/1029036540.db2.gz XNBDUMNZMVNITA-VXGBXAGGSA-N -1 3 311.372 3.879 20 0 DHADHM CCOc1cc(CN2Cc3ccc(O)cc3C2)cc(Cl)c1[O-] ZINC000628418951 1029049410 /nfs/dbraw/zinc/04/94/10/1029049410.db2.gz GJBHSVBFDLMARP-UHFFFAOYSA-N -1 3 319.788 3.666 20 0 DHADHM Cc1cccc([C@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1C ZINC000449878895 1029064638 /nfs/dbraw/zinc/06/46/38/1029064638.db2.gz ZBAALTKPXDUONK-ZDUSSCGKSA-N -1 3 301.361 3.568 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2sccc2c1 ZINC001135860132 1029116863 /nfs/dbraw/zinc/11/68/63/1029116863.db2.gz SBDFLWPAHZKWBC-UHFFFAOYSA-N -1 3 301.342 3.927 20 0 DHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OCCC1CC1 ZINC000817383880 1029139061 /nfs/dbraw/zinc/13/90/61/1029139061.db2.gz XJRGQFWYKHFITC-UHFFFAOYSA-N -1 3 318.442 3.857 20 0 DHADHM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OCCC1CC1 ZINC000817387854 1029142150 /nfs/dbraw/zinc/14/21/50/1029142150.db2.gz GYIOPZDVZYURBG-UHFFFAOYSA-N -1 3 320.820 3.923 20 0 DHADHM O=C(CC1(CSc2ccccc2)CC1)[N-]OCCC1CC1 ZINC000817425678 1029161824 /nfs/dbraw/zinc/16/18/24/1029161824.db2.gz IZRWRHBOOROEEP-UHFFFAOYSA-N -1 3 305.443 3.797 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000529440091 1029299147 /nfs/dbraw/zinc/29/91/47/1029299147.db2.gz UBCQWANDILVZTC-BZHVJNSISA-N -1 3 324.218 3.694 20 0 DHADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](C)C1(F)F ZINC000629364842 1029310286 /nfs/dbraw/zinc/31/02/86/1029310286.db2.gz PCYHCLPPAFWFDV-GBIKHYSHSA-N -1 3 317.763 3.689 20 0 DHADHM C[C@@H]1CC(C)(C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000412050343 1029312270 /nfs/dbraw/zinc/31/22/70/1029312270.db2.gz YCTVLTYRGITTBJ-LLVKDONJSA-N -1 3 311.385 3.702 20 0 DHADHM CN(Cc1ccc(C#N)cc1)Cc1c([O-])ccc(Cl)c1F ZINC000191227214 1029324080 /nfs/dbraw/zinc/32/40/80/1029324080.db2.gz NUPPZWSHMIWHPY-UHFFFAOYSA-N -1 3 304.752 3.688 20 0 DHADHM CCOC([O-])=NOCCCCOc1ccccc1C(F)(F)F ZINC000818106428 1029336080 /nfs/dbraw/zinc/33/60/80/1029336080.db2.gz KDEFZABSUZQWQJ-UHFFFAOYSA-N -1 3 321.295 3.542 20 0 DHADHM CCOC(=O)[N-]OCCCCOc1ccccc1C(F)(F)F ZINC000818106428 1029336087 /nfs/dbraw/zinc/33/60/87/1029336087.db2.gz KDEFZABSUZQWQJ-UHFFFAOYSA-N -1 3 321.295 3.542 20 0 DHADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)cn2ccnc12 ZINC000818055184 1029339267 /nfs/dbraw/zinc/33/92/67/1029339267.db2.gz ALKSAUDBVVGLOA-UHFFFAOYSA-N -1 3 323.377 3.815 20 0 DHADHM CCCCC[C@@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136165821 1029435508 /nfs/dbraw/zinc/43/55/08/1029435508.db2.gz MWUKYVDMXPBFOD-SNVBAGLBSA-N -1 3 322.355 3.505 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1c(C)cccc1[O-] ZINC001136185241 1029477785 /nfs/dbraw/zinc/47/77/85/1029477785.db2.gz SGKOOMMUNXSEMO-UHFFFAOYSA-N -1 3 301.361 3.892 20 0 DHADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412666414 1029501268 /nfs/dbraw/zinc/50/12/68/1029501268.db2.gz GCCLBGUFDFLSJU-QGZVFWFLSA-N -1 3 307.393 3.802 20 0 DHADHM CCc1ccc(C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)c([O-])c1 ZINC000819860013 1029620618 /nfs/dbraw/zinc/62/06/18/1029620618.db2.gz SBJLTXCDTNAYMX-NSHDSACASA-N -1 3 318.804 3.627 20 0 DHADHM C[C@H]1CC(F)(F)CCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000530008783 1029701756 /nfs/dbraw/zinc/70/17/56/1029701756.db2.gz LAHKQRVCHFDPQO-NSHDSACASA-N -1 3 315.335 3.500 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC001136340240 1029727839 /nfs/dbraw/zinc/72/78/39/1029727839.db2.gz JETPBAPXHXZIHV-UHFFFAOYSA-N -1 3 322.364 3.980 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1nc(Cl)sc1Cl ZINC000821670492 1029862794 /nfs/dbraw/zinc/86/27/94/1029862794.db2.gz GUZGSUIIVHOGKP-UHFFFAOYSA-N -1 3 309.124 3.980 20 0 DHADHM CCN(Cc1ccncc1)C(=O)c1cc2sccc2c([O-])c1 ZINC001136572120 1029999849 /nfs/dbraw/zinc/99/98/49/1029999849.db2.gz OVRDFGNXOBOKRL-UHFFFAOYSA-N -1 3 312.394 3.664 20 0 DHADHM Cc1ncc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000866076955 1030120714 /nfs/dbraw/zinc/12/07/14/1030120714.db2.gz IDGWLKNFSHTRNT-QMMMGPOBSA-N -1 3 314.332 3.560 20 0 DHADHM CCc1ccc([C@@H](COC)N[C@H](C)c2cc([O-])cc(F)c2)o1 ZINC000925146739 1030288133 /nfs/dbraw/zinc/28/81/33/1030288133.db2.gz PNRKICSKGIACQF-BDJLRTHQSA-N -1 3 307.365 3.725 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC001136744447 1030328366 /nfs/dbraw/zinc/32/83/66/1030328366.db2.gz SESZXUOPSXGBCF-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM C[C@H](Nc1cccc(N2CCOCC2)c1)c1cc([O-])cc(F)c1 ZINC000925769579 1030487058 /nfs/dbraw/zinc/48/70/58/1030487058.db2.gz OSBSHFFMDRDDGU-ZDUSSCGKSA-N -1 3 316.376 3.541 20 0 DHADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc([O-])c(F)c1F ZINC001211998093 1030491760 /nfs/dbraw/zinc/49/17/60/1030491760.db2.gz ZSSNTMHFFURROK-UHFFFAOYSA-N -1 3 321.714 3.759 20 0 DHADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1cc(F)ccc1F ZINC001136846706 1030516283 /nfs/dbraw/zinc/51/62/83/1030516283.db2.gz JPLPFDAQPVRQKO-HNNXBMFYSA-N -1 3 305.324 3.860 20 0 DHADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000291554210 1030548136 /nfs/dbraw/zinc/54/81/36/1030548136.db2.gz MNIPWIYQLZNHCC-SECBINFHSA-N -1 3 303.736 3.601 20 0 DHADHM [O-]c1ccc(Nc2ncccc2OC(F)(F)F)c(F)c1F ZINC001212002989 1030627122 /nfs/dbraw/zinc/62/71/22/1030627122.db2.gz MDIXREDKHFCCPU-UHFFFAOYSA-N -1 3 306.190 3.708 20 0 DHADHM COC(=O)c1ccc(Cl)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212007503 1030643162 /nfs/dbraw/zinc/64/31/62/1030643162.db2.gz JKOGQSGPQZCGHK-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1ccc(C(C)=O)c(Nc2ccc([O-])c(F)c2F)c1OC ZINC001212009104 1030650848 /nfs/dbraw/zinc/65/08/48/1030650848.db2.gz JPGYPHVXGGCMKG-UHFFFAOYSA-N -1 3 323.295 3.634 20 0 DHADHM COC(=O)c1ccc(C)c(Nc2ccc([O-])c(F)c2F)c1C ZINC001212014037 1030662850 /nfs/dbraw/zinc/66/28/50/1030662850.db2.gz WGKJBFMGZRHDBE-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM COCCNc1cccc(F)c1Nc1ccc([O-])c(F)c1F ZINC001212016273 1030672806 /nfs/dbraw/zinc/67/28/06/1030672806.db2.gz HMBIFECPXSWJBD-UHFFFAOYSA-N -1 3 312.291 3.611 20 0 DHADHM COC(=O)/C=C/c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016332 1030673365 /nfs/dbraw/zinc/67/33/65/1030673365.db2.gz KORDDPCKYZHLMF-VMPITWQZSA-N -1 3 305.280 3.600 20 0 DHADHM O=C1c2cc(Nc3ccc([O-])c(F)c3F)ccc2CN1C1CC1 ZINC001212016603 1030675048 /nfs/dbraw/zinc/67/50/48/1030675048.db2.gz XVXQHCDHGHYWCU-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM CC1(C)Cc2c(Nc3ccc([O-])c(F)c3F)cccc2NC1=O ZINC001212016497 1030676321 /nfs/dbraw/zinc/67/63/21/1030676321.db2.gz SOZBVXZCDYABLZ-UHFFFAOYSA-N -1 3 318.323 3.935 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)C2CCCCCCC2)cc1[O-] ZINC000824939575 1030677045 /nfs/dbraw/zinc/67/70/45/1030677045.db2.gz XRPUHNWURRVPPL-UHFFFAOYSA-N -1 3 303.402 3.780 20 0 DHADHM Cc1cc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)no1 ZINC000075936520 1030711795 /nfs/dbraw/zinc/71/17/95/1030711795.db2.gz VHXYRMAYWFZPLK-UHFFFAOYSA-N -1 3 309.734 3.605 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCCC4)n[n-]2)o1 ZINC000359004621 1030724833 /nfs/dbraw/zinc/72/48/33/1030724833.db2.gz UMCSQJDHPGKDDJ-UHFFFAOYSA-N -1 3 322.368 3.504 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC001137002749 1030752753 /nfs/dbraw/zinc/75/27/53/1030752753.db2.gz TUOYXKTVKZCBRG-NVXWUHKLSA-N -1 3 309.409 3.966 20 0 DHADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H](c2ccsc2)O1 ZINC000248668340 1030758534 /nfs/dbraw/zinc/75/85/34/1030758534.db2.gz AEXSGGSZHMSKGS-ZBEGNZNMSA-N -1 3 307.390 3.555 20 0 DHADHM CCCO[N-]C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000844084621 1030947922 /nfs/dbraw/zinc/94/79/22/1030947922.db2.gz CZKIYFQBZXIPRR-UHFFFAOYSA-N -1 3 324.833 3.828 20 0 DHADHM CCc1nc(C)c(C(=O)[N-]c2nnc(C(CC)CC)s2)o1 ZINC000292388380 1030977143 /nfs/dbraw/zinc/97/71/43/1030977143.db2.gz BQIMXBZPQJDUKO-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000292585348 1031083907 /nfs/dbraw/zinc/08/39/07/1031083907.db2.gz GWTUNZYHSMZNRL-SJORKVTESA-N -1 3 317.429 3.545 20 0 DHADHM C[C@@H](CCc1ccccc1F)C(=O)[N-]OCCCC(F)(F)F ZINC000871212855 1031162348 /nfs/dbraw/zinc/16/23/48/1031162348.db2.gz GRUAUQDVOIAUTD-NSHDSACASA-N -1 3 321.314 3.785 20 0 DHADHM COc1ccccc1[C@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211298 1031162720 /nfs/dbraw/zinc/16/27/20/1031162720.db2.gz NDOMMZMRJCKTDA-LLVKDONJSA-N -1 3 319.323 3.579 20 0 DHADHM CC(C)(CC(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1 ZINC000871218376 1031166789 /nfs/dbraw/zinc/16/67/89/1031166789.db2.gz PPVCXYVWSZKUFX-UHFFFAOYSA-N -1 3 321.314 3.884 20 0 DHADHM O=C([O-])CC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000871622027 1031248236 /nfs/dbraw/zinc/24/82/36/1031248236.db2.gz WRAFVQUFSDXLLO-OHVSUOQFSA-N -1 3 309.356 3.555 20 0 DHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CCCC[C@H]1C)CC2 ZINC000871621021 1031249564 /nfs/dbraw/zinc/24/95/64/1031249564.db2.gz QZTXNOCEKKXSPI-ZIAGYGMSSA-N -1 3 317.429 3.578 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OC1CC(CF)(CF)C1 ZINC000871731911 1031295806 /nfs/dbraw/zinc/29/58/06/1031295806.db2.gz WQJYNQSELJKBEW-UHFFFAOYSA-N -1 3 319.351 3.518 20 0 DHADHM CCOCc1nc(C)c(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928783049 1031378532 /nfs/dbraw/zinc/37/85/32/1031378532.db2.gz WIARPDJYVZQROY-UHFFFAOYSA-N -1 3 323.418 3.660 20 0 DHADHM CCc1cccc(C(=O)NC2(c3nccs3)CCCC2)c1[O-] ZINC000536689358 1031391856 /nfs/dbraw/zinc/39/18/56/1031391856.db2.gz KVMLGMZLZIYPOD-UHFFFAOYSA-N -1 3 316.426 3.610 20 0 DHADHM CCOc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cc1OC ZINC000872021348 1031403795 /nfs/dbraw/zinc/40/37/95/1031403795.db2.gz CACIWCOUCRHCLJ-LBPRGKRZSA-N -1 3 319.376 3.789 20 0 DHADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000872022620 1031406475 /nfs/dbraw/zinc/40/64/75/1031406475.db2.gz ZQRJXFFSEYARMZ-MNOVXSKESA-N -1 3 303.333 3.672 20 0 DHADHM Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872046599 1031433996 /nfs/dbraw/zinc/43/39/96/1031433996.db2.gz JLKBCPBDNBDXQC-IUODEOHRSA-N -1 3 301.361 3.932 20 0 DHADHM C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC000872049074 1031435588 /nfs/dbraw/zinc/43/55/88/1031435588.db2.gz PKGXTUNENCJNPC-RNCFNFMXSA-N -1 3 307.752 3.969 20 0 DHADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc([S@](C)=O)cc1 ZINC000872050457 1031438854 /nfs/dbraw/zinc/43/88/54/1031438854.db2.gz ATFQYIJSPJMHDL-IBILFNBTSA-N -1 3 321.417 3.681 20 0 DHADHM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cccc([O-])c1F ZINC000872056390 1031445660 /nfs/dbraw/zinc/44/56/60/1031445660.db2.gz QZYSBDSWEKJOCN-GFCCVEGCSA-N -1 3 314.360 3.831 20 0 DHADHM CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872066450 1031459938 /nfs/dbraw/zinc/45/99/38/1031459938.db2.gz NLGAPUGWGQVJKI-AXFHLTTASA-N -1 3 306.385 3.575 20 0 DHADHM CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)[nH]1 ZINC000872066451 1031462502 /nfs/dbraw/zinc/46/25/02/1031462502.db2.gz NLGAPUGWGQVJKI-DCAQKATOSA-N -1 3 306.385 3.575 20 0 DHADHM C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872074030 1031469887 /nfs/dbraw/zinc/46/98/87/1031469887.db2.gz AUHMACLPXRJXOJ-SECBINFHSA-N -1 3 314.282 3.796 20 0 DHADHM Cc1cc(NC(=O)/C(C#N)=C/c2ccc([O-])cc2)ccc1Cl ZINC000041698191 1031476362 /nfs/dbraw/zinc/47/63/62/1031476362.db2.gz SHVRELWGCGZSPW-UKTHLTGXSA-N -1 3 312.756 3.900 20 0 DHADHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cc([O-])ccc1Cl ZINC000293585774 1031527009 /nfs/dbraw/zinc/52/70/09/1031527009.db2.gz GHHCCGKVGXJHON-SNVBAGLBSA-N -1 3 317.763 3.991 20 0 DHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000872160871 1031545089 /nfs/dbraw/zinc/54/50/89/1031545089.db2.gz NWASDPHPLXYFJV-JTQLQIEISA-N -1 3 319.323 3.621 20 0 DHADHM CCCCO[C@H]1C[C@H](NC(=O)c2ccc(CC)cc2[O-])C1(C)C ZINC001149203815 1031597372 /nfs/dbraw/zinc/59/73/72/1031597372.db2.gz VSPBKLXFJGAGMB-IRXDYDNUSA-N -1 3 319.445 3.668 20 0 DHADHM COc1ccccc1[C@H]1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144646877 1031788565 /nfs/dbraw/zinc/78/85/65/1031788565.db2.gz OGCHTFRMEGQIGU-LBPRGKRZSA-N -1 3 319.351 3.669 20 0 DHADHM O=C([N-]OC1CCCCC1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000845959573 1031793825 /nfs/dbraw/zinc/79/38/25/1031793825.db2.gz BNXPFUUKJNNCSL-JKSUJKDBSA-N -1 3 305.443 3.514 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCc2c(O)cccc21 ZINC000476329516 1031797905 /nfs/dbraw/zinc/79/79/05/1031797905.db2.gz IENJONLIBJJGAT-CYBMUJFWSA-N -1 3 317.772 3.810 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@@H]1c1ccccc1F ZINC001144678287 1031821082 /nfs/dbraw/zinc/82/10/82/1031821082.db2.gz UFYMTZMYFXFDEL-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1ccccc1F ZINC001144678286 1031822421 /nfs/dbraw/zinc/82/24/21/1031822421.db2.gz UFYMTZMYFXFDEL-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC(C1CCC1)C1CCC1 ZINC000561377723 1031867749 /nfs/dbraw/zinc/86/77/49/1031867749.db2.gz CONFTJGUVPQQMK-UHFFFAOYSA-N -1 3 319.420 3.939 20 0 DHADHM CC1=Nc2ccccc2C12CCN(C(=O)c1ccccc1[O-])CC2 ZINC000898242094 1031997066 /nfs/dbraw/zinc/99/70/66/1031997066.db2.gz YMYPYUMRHFHBMB-UHFFFAOYSA-N -1 3 320.392 3.672 20 0 DHADHM CCC(=O)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000117546937 1033399368 /nfs/dbraw/zinc/39/93/68/1033399368.db2.gz MLSZZMHEMUERFP-UHFFFAOYSA-N -1 3 311.407 3.882 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CCCC34CC4)c2)n1 ZINC000860568051 1033417796 /nfs/dbraw/zinc/41/77/96/1033417796.db2.gz CZUCYBLZUQTJNR-HNNXBMFYSA-N -1 3 324.380 3.643 20 0 DHADHM Cc1ccc(CC(=O)[N-]O[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000151331731 1033435747 /nfs/dbraw/zinc/43/57/47/1033435747.db2.gz LGIJJSUEUPFMEE-CYBMUJFWSA-N -1 3 316.401 3.632 20 0 DHADHM CCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccc1 ZINC000877899870 1033502434 /nfs/dbraw/zinc/50/24/34/1033502434.db2.gz JKTXGQVYXLNRDQ-UHFFFAOYSA-N -1 3 323.396 3.854 20 0 DHADHM [O-]c1c(F)cc(Nc2ccc(Cn3ccnc3)cc2)cc1F ZINC001212697676 1033502532 /nfs/dbraw/zinc/50/25/32/1033502532.db2.gz NATJKICZAINJJG-UHFFFAOYSA-N -1 3 301.296 3.659 20 0 DHADHM O=C(CCC(=O)c1cccs1)Nc1c([O-])cccc1Cl ZINC000552783261 1033509000 /nfs/dbraw/zinc/50/90/00/1033509000.db2.gz KVAVMWRYFSZVPN-UHFFFAOYSA-N -1 3 309.774 3.709 20 0 DHADHM C[C@H](c1cccs1)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877970118 1033534670 /nfs/dbraw/zinc/53/46/70/1033534670.db2.gz IPNQXPMXKNWARN-LLVKDONJSA-N -1 3 315.398 3.697 20 0 DHADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)C1CCC(C)(C)CC1 ZINC000153288785 1033572748 /nfs/dbraw/zinc/57/27/48/1033572748.db2.gz AOTOEGJDYQRJJF-UHFFFAOYSA-N -1 3 312.413 3.569 20 0 DHADHM Cc1cc(C)cc(CN(C)Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC000878513861 1033733550 /nfs/dbraw/zinc/73/35/50/1033733550.db2.gz JITVYZYHDMXBSC-UHFFFAOYSA-N -1 3 323.396 3.691 20 0 DHADHM CCOc1ccccc1Nc1ncc(Br)cc1[O-] ZINC001173848565 1033880210 /nfs/dbraw/zinc/88/02/10/1033880210.db2.gz YMQFJANKEXBMRU-UHFFFAOYSA-N -1 3 309.163 3.692 20 0 DHADHM NC(=O)c1ccc(Nc2cccc(-c3ccccc3)c2)cc1[O-] ZINC001173912210 1033942499 /nfs/dbraw/zinc/94/24/99/1033942499.db2.gz UIYZURACZXMINR-UHFFFAOYSA-N -1 3 304.349 3.902 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1ccccc1F ZINC000554071555 1033944594 /nfs/dbraw/zinc/94/45/94/1033944594.db2.gz KPGSWWNEGYICHG-UHFFFAOYSA-N -1 3 307.752 3.850 20 0 DHADHM COc1cccc(Nc2nc3c(cccc3[O-])s2)c1OC ZINC001174014114 1034044458 /nfs/dbraw/zinc/04/44/58/1034044458.db2.gz DSORFWUIWPGGSO-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM COc1ccc(OC)c(OC)c1Nc1cccc([O-])c1Cl ZINC001174054891 1034059297 /nfs/dbraw/zinc/05/92/97/1034059297.db2.gz LAEFOSQLYXTPMU-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM [O-]C(=NOCC(F)F)Nc1nc(C2CCCCCC2)cs1 ZINC000880229341 1034253926 /nfs/dbraw/zinc/25/39/26/1034253926.db2.gz RJDMIBMGVQZVPX-UHFFFAOYSA-N -1 3 319.377 3.899 20 0 DHADHM O=C([N-]OCC(F)F)Nc1nc(C2CCCCCC2)cs1 ZINC000880229341 1034253943 /nfs/dbraw/zinc/25/39/43/1034253943.db2.gz RJDMIBMGVQZVPX-UHFFFAOYSA-N -1 3 319.377 3.899 20 0 DHADHM Cc1sc2[n-]c([C@@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000178984302 1034275486 /nfs/dbraw/zinc/27/54/86/1034275486.db2.gz SCUYVUKKESQHTP-LBPRGKRZSA-N -1 3 312.394 3.812 20 0 DHADHM Cc1scc(CNCc2cccc(CCC(=O)[O-])c2)c1C ZINC000864518087 1034372992 /nfs/dbraw/zinc/37/29/92/1034372992.db2.gz BSOJXOJXRHDFKO-UHFFFAOYSA-N -1 3 303.427 3.672 20 0 DHADHM CC(C)(C)OC(=O)c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174427143 1034375006 /nfs/dbraw/zinc/37/50/06/1034375006.db2.gz GQWYZRMEAWTSRU-UHFFFAOYSA-N -1 3 304.321 3.625 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc2cnccc2o1 ZINC000864528180 1034375464 /nfs/dbraw/zinc/37/54/64/1034375464.db2.gz MKAMPGLFWQQCSH-KRWDZBQOSA-N -1 3 324.380 3.696 20 0 DHADHM CC(C)=CC[C@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000864529287 1034378785 /nfs/dbraw/zinc/37/87/85/1034378785.db2.gz GPWKGXQGVULSQR-LBPRGKRZSA-N -1 3 303.736 3.517 20 0 DHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1sc(C)nc1C ZINC000864529455 1034379276 /nfs/dbraw/zinc/37/92/76/1034379276.db2.gz XNEOANMFDQWDQT-HNNXBMFYSA-N -1 3 318.442 3.628 20 0 DHADHM CCc1nc(CNC[C@H](CC(=O)[O-])[C@H]2CCC[C@H](C)C2)cs1 ZINC000864532844 1034381385 /nfs/dbraw/zinc/38/13/85/1034381385.db2.gz IUFJFHLYGVVULB-IHRRRGAJSA-N -1 3 324.490 3.712 20 0 DHADHM O=c1cc(Nc2cccc(N3CCCC3)c2)[n-]n1-c1ccccc1 ZINC001174487421 1034408088 /nfs/dbraw/zinc/40/80/88/1034408088.db2.gz XTXKEOZJBVTDOU-UHFFFAOYSA-N -1 3 320.396 3.922 20 0 DHADHM CC(C)=CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000480732519 1034419889 /nfs/dbraw/zinc/41/98/89/1034419889.db2.gz NPOUFLRAOYPTIX-UHFFFAOYSA-N -1 3 308.230 3.628 20 0 DHADHM CCC(F)(F)c1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000880775021 1034436943 /nfs/dbraw/zinc/43/69/43/1034436943.db2.gz JNKSHNFTJSVIPQ-ZDUSSCGKSA-N -1 3 314.332 3.768 20 0 DHADHM CCC(F)(F)c1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000880775021 1034436947 /nfs/dbraw/zinc/43/69/47/1034436947.db2.gz JNKSHNFTJSVIPQ-ZDUSSCGKSA-N -1 3 314.332 3.768 20 0 DHADHM CNc1ncc2cc(Nc3ccc([O-])c(Cl)c3)ccc2n1 ZINC001174534839 1034450918 /nfs/dbraw/zinc/45/09/18/1034450918.db2.gz DIQNIZNBFAWQAZ-UHFFFAOYSA-N -1 3 300.749 3.774 20 0 DHADHM Cn1ccc2ccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc21 ZINC001174515856 1034472071 /nfs/dbraw/zinc/47/20/71/1034472071.db2.gz PFPVHHHMCCLVGD-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM Fc1ccc2nc([N-]c3cnn([C@H]4CCCCO4)c3)oc2c1 ZINC001174598432 1034527320 /nfs/dbraw/zinc/52/73/20/1034527320.db2.gz HOQZHCNTIXNTOC-CQSZACIVSA-N -1 3 302.309 3.606 20 0 DHADHM [O-]c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1Cl ZINC001174709771 1034574886 /nfs/dbraw/zinc/57/48/86/1034574886.db2.gz QSJSKKWPUWKFSG-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM O=c1cc(C=Cc2csc(C(F)(F)F)n2)nc(C2CC2)[n-]1 ZINC000899375205 1034608164 /nfs/dbraw/zinc/60/81/64/1034608164.db2.gz VPPBVYQNBBVRPT-ONEGZZNKSA-N -1 3 313.304 3.705 20 0 DHADHM COc1ccc(Nc2cccc([O-])c2Cl)c(OC)c1OC ZINC001174900470 1034669270 /nfs/dbraw/zinc/66/92/70/1034669270.db2.gz BRTPPDWGPMGQAM-UHFFFAOYSA-N -1 3 309.749 3.815 20 0 DHADHM COc1ccc2cccnc2c1Nc1c(F)cc([O-])cc1F ZINC001175102005 1034783912 /nfs/dbraw/zinc/78/39/12/1034783912.db2.gz CEHLWSOTOAUADY-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM COc1cc(C(C)=O)c(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175102029 1034784150 /nfs/dbraw/zinc/78/41/50/1034784150.db2.gz CMFYQZJYOKGCCH-UHFFFAOYSA-N -1 3 311.259 3.764 20 0 DHADHM COc1ccc2ccc(Nc3c(F)cc([O-])cc3F)cc2n1 ZINC001175102301 1034784235 /nfs/dbraw/zinc/78/42/35/1034784235.db2.gz HHHNLMWJFJUXFH-UHFFFAOYSA-N -1 3 302.280 3.971 20 0 DHADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ncc(F)cc1F ZINC000192323142 1034794723 /nfs/dbraw/zinc/79/47/23/1034794723.db2.gz HOSUBIDIDVGOEI-UHFFFAOYSA-N -1 3 324.352 3.902 20 0 DHADHM COc1ccc(C(C)=O)c(Nc2c(F)cc([O-])cc2F)c1OC ZINC001175096669 1034810667 /nfs/dbraw/zinc/81/06/67/1034810667.db2.gz HUOALJQZJWCZRU-UHFFFAOYSA-N -1 3 323.295 3.634 20 0 DHADHM Cc1cc(Nc2c(F)ccc([O-])c2F)cnc1Br ZINC001175262317 1034912142 /nfs/dbraw/zinc/91/21/42/1034912142.db2.gz CKHCOXVJPHOLNG-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCOc1ccc(F)c(F)c1Nc1ncc(Cl)cc1[O-] ZINC001175281617 1034897353 /nfs/dbraw/zinc/89/73/53/1034897353.db2.gz GLHQZUCHILWDGG-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM [O-]c1ccc(F)c(Nc2cccc(Br)n2)c1F ZINC001175261826 1034911594 /nfs/dbraw/zinc/91/15/94/1034911594.db2.gz RKWFZHMERQRPAJ-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM Cc1nc(Nc2c(F)ccc([O-])c2F)ccc1Br ZINC001175261234 1034912204 /nfs/dbraw/zinc/91/22/04/1034912204.db2.gz HOUBPPHUTHZXRM-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncc(F)cc2Br)c1F ZINC001175262827 1034912443 /nfs/dbraw/zinc/91/24/43/1034912443.db2.gz NHYUUALITOAQQQ-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1nc(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2)no1 ZINC001175268516 1034913309 /nfs/dbraw/zinc/91/33/09/1034913309.db2.gz RRDCGMFAUALVIO-UHFFFAOYSA-N -1 3 303.268 3.772 20 0 DHADHM [O-]c1ccc(F)c(Nc2ncccc2N2CCCCC2)c1F ZINC001175266186 1034913567 /nfs/dbraw/zinc/91/35/67/1034913567.db2.gz QQYFBROLRICTRE-UHFFFAOYSA-N -1 3 305.328 3.799 20 0 DHADHM COc1ccc(CN(C)Cc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001142647231 1034914453 /nfs/dbraw/zinc/91/44/53/1034914453.db2.gz SHRGMZXWZUMKFK-UHFFFAOYSA-N -1 3 319.788 3.679 20 0 DHADHM CC(C)CNC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267601 1034914490 /nfs/dbraw/zinc/91/44/90/1034914490.db2.gz CDYKAHQFJIZXHD-UHFFFAOYSA-N -1 3 320.339 3.800 20 0 DHADHM Cc1c(Br)nccc1Nc1c(F)ccc([O-])c1F ZINC001175266705 1034914782 /nfs/dbraw/zinc/91/47/82/1034914782.db2.gz XPBOWWXRPOVIST-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CCOc1cc(Nc2c(F)ccc([O-])c2F)cc(C(=O)OC)c1 ZINC001175269726 1034916451 /nfs/dbraw/zinc/91/64/51/1034916451.db2.gz JZJMMAKAMUCVIY-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CCOC(=O)Cc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270795 1034916463 /nfs/dbraw/zinc/91/64/63/1034916463.db2.gz JTZLXVYOQBURSF-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM O=C1c2cccc(Nc3c(F)ccc([O-])c3F)c2CN1C1CC1 ZINC001175270911 1034916857 /nfs/dbraw/zinc/91/68/57/1034916857.db2.gz NUKQZQWDCMFKLD-UHFFFAOYSA-N -1 3 316.307 3.532 20 0 DHADHM COC(=O)CCc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269077 1034916914 /nfs/dbraw/zinc/91/69/14/1034916914.db2.gz ALEYQSXCSUEFOW-UHFFFAOYSA-N -1 3 307.296 3.520 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(-c3cc(CO)on3)cc2)c1F ZINC001175271578 1034917658 /nfs/dbraw/zinc/91/76/58/1034917658.db2.gz WFTBPSAICDAGHJ-UHFFFAOYSA-N -1 3 318.279 3.561 20 0 DHADHM Cc1ccc(C(=O)NC2CC2)cc1Nc1c(F)ccc([O-])c1F ZINC001175271722 1034918685 /nfs/dbraw/zinc/91/86/85/1034918685.db2.gz ZZBLQNMHRSJYBZ-UHFFFAOYSA-N -1 3 318.323 3.615 20 0 DHADHM Clc1cccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC001175426654 1034977729 /nfs/dbraw/zinc/97/77/29/1034977729.db2.gz ACTSQINIPRVIKO-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC001175425575 1034978336 /nfs/dbraw/zinc/97/83/36/1034978336.db2.gz VAPPEYCTZKTOPB-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c2cccc(F)c2n1 ZINC001175427341 1034978384 /nfs/dbraw/zinc/97/83/84/1034978384.db2.gz BVSSIEXEFLPQCV-UHFFFAOYSA-N -1 3 320.331 3.606 20 0 DHADHM c1cc(OC2CCCC2)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429645 1034978457 /nfs/dbraw/zinc/97/84/57/1034978457.db2.gz LVNOTRMHQYFFFD-UHFFFAOYSA-N -1 3 321.384 3.932 20 0 DHADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC001175429251 1034978789 /nfs/dbraw/zinc/97/87/89/1034978789.db2.gz UFRONKUGGYQELH-UHFFFAOYSA-N -1 3 319.290 3.938 20 0 DHADHM Cc1ncc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)c(=O)[n-]1 ZINC001175547540 1035011728 /nfs/dbraw/zinc/01/17/28/1035011728.db2.gz IQIPHSIEZWTCLP-UHFFFAOYSA-N -1 3 316.361 3.581 20 0 DHADHM O=c1cc(CSCc2ncccc2Cl)nc(C2CC2)[n-]1 ZINC000600633137 1035017166 /nfs/dbraw/zinc/01/71/66/1035017166.db2.gz PCDNWHIQDZWYRD-UHFFFAOYSA-N -1 3 307.806 3.541 20 0 DHADHM O=C(Nc1ccsn1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001175521599 1035024885 /nfs/dbraw/zinc/02/48/85/1035024885.db2.gz ALXPTECUKCQMIR-UHFFFAOYSA-N -1 3 324.405 3.886 20 0 DHADHM O=C(NC1CC1)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001175606551 1035062909 /nfs/dbraw/zinc/06/29/09/1035062909.db2.gz OJSMXQDZERMNAZ-UHFFFAOYSA-N -1 3 302.761 3.681 20 0 DHADHM Nc1cc(C(F)(F)F)c(Nc2cccc([O-])c2Cl)cn1 ZINC001175714893 1035088738 /nfs/dbraw/zinc/08/87/38/1035088738.db2.gz YHLIHBBLJDKWRW-UHFFFAOYSA-N -1 3 303.671 3.785 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2ccccc2)c1 ZINC000668030047 1035097690 /nfs/dbraw/zinc/09/76/90/1035097690.db2.gz IUQMNNFTYDJRLK-ZDUSSCGKSA-N -1 3 315.438 3.990 20 0 DHADHM [O-]c1cc(Nc2ccnc(Br)c2)c(F)cc1F ZINC001175747650 1035103829 /nfs/dbraw/zinc/10/38/29/1035103829.db2.gz WFKSIVNZWWAILT-UHFFFAOYSA-N -1 3 301.090 3.572 20 0 DHADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1Cl ZINC001175772743 1035116228 /nfs/dbraw/zinc/11/62/28/1035116228.db2.gz MNUDPMPTNAGGLE-UHFFFAOYSA-N -1 3 315.760 3.984 20 0 DHADHM CCOC(=O)c1cnoc1[N-]c1ccc(-c2ccccc2)nc1 ZINC001175832647 1035126773 /nfs/dbraw/zinc/12/67/73/1035126773.db2.gz IIBPSJOUFPWLEP-UHFFFAOYSA-N -1 3 309.325 3.657 20 0 DHADHM [O-]c1cccc(Nc2cccc(CN3CCOCC3)c2)c1Cl ZINC001175859721 1035145325 /nfs/dbraw/zinc/14/53/25/1035145325.db2.gz BKHWSLVQMFQYRS-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM Cc1ccc(Nc2cnn(Cc3cccnc3)c2)c(Cl)c1[O-] ZINC001176456384 1035272419 /nfs/dbraw/zinc/27/24/19/1035272419.db2.gz MRJZZTHCITXKNR-UHFFFAOYSA-N -1 3 314.776 3.737 20 0 DHADHM CCOc1cc(Nc2nc3c(cccc3[O-])s2)c(F)cn1 ZINC001176600245 1035307940 /nfs/dbraw/zinc/30/79/40/1035307940.db2.gz BTXHNFNCJPSQOC-UHFFFAOYSA-N -1 3 305.334 3.678 20 0 DHADHM Cc1nc2ccc(F)cn2c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670603 1035309918 /nfs/dbraw/zinc/30/99/18/1035309918.db2.gz ZYMHIIKISLETAT-UHFFFAOYSA-N -1 3 311.238 3.648 20 0 DHADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1nc(C)cs1 ZINC000668319346 1035323004 /nfs/dbraw/zinc/32/30/04/1035323004.db2.gz GBYNFEZTAFJSSO-LBPRGKRZSA-N -1 3 322.455 3.760 20 0 DHADHM CSCC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000903916337 1035334563 /nfs/dbraw/zinc/33/45/63/1035334563.db2.gz KBRALIATKJNIEE-UHFFFAOYSA-N -1 3 313.850 3.613 20 0 DHADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cnc(Cl)c(C)c2)c1 ZINC000904045622 1035351529 /nfs/dbraw/zinc/35/15/29/1035351529.db2.gz KMGYWQODQBOEND-OAHLLOKOSA-N -1 3 318.804 3.657 20 0 DHADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C3CC3)s2)c1 ZINC000904044746 1035351778 /nfs/dbraw/zinc/35/17/78/1035351778.db2.gz COGBXVIMUPUMTB-OAHLLOKOSA-N -1 3 316.426 3.635 20 0 DHADHM COc1cc(C)ccc1CN[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904045420 1035351935 /nfs/dbraw/zinc/35/19/35/1035351935.db2.gz JFEKAQIDBRVESF-KRWDZBQOSA-N -1 3 313.397 3.618 20 0 DHADHM O=C([O-])C[C@@H](CNCc1nc2ccccc2o1)C1CCCCC1 ZINC000904026809 1035353365 /nfs/dbraw/zinc/35/33/65/1035353365.db2.gz LRVDQLWMTVUVTP-AWEZNQCLSA-N -1 3 316.401 3.589 20 0 DHADHM O=C(Cc1ccc(-c2ccccn2)cc1)Nc1ccc(F)c([O-])c1 ZINC001177951413 1035403252 /nfs/dbraw/zinc/40/32/52/1035403252.db2.gz NLNSROMYLZVOBT-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM O=C(Cc1ccccc1-c1cccnc1)Nc1ccc(F)c([O-])c1 ZINC001177974650 1035405261 /nfs/dbraw/zinc/40/52/61/1035405261.db2.gz SNKDHYXVEVXUJX-UHFFFAOYSA-N -1 3 322.339 3.775 20 0 DHADHM CC(C)Cc1noc(-c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000904414752 1035411137 /nfs/dbraw/zinc/41/11/37/1035411137.db2.gz SWVMUNHDWASSJQ-UHFFFAOYSA-N -1 3 324.406 3.739 20 0 DHADHM O=C(C=Cc1cc2ccccc2o1)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001178756923 1035445753 /nfs/dbraw/zinc/44/57/53/1035445753.db2.gz HZYAHWQPEPRGDT-SOFGYWHQSA-N -1 3 319.320 3.667 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c([O-])c1 ZINC001179003880 1035460786 /nfs/dbraw/zinc/46/07/86/1035460786.db2.gz RQJQILYLLKHJRV-AULYBMBSSA-N -1 3 317.335 3.655 20 0 DHADHM CCc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1O ZINC001179613713 1035485788 /nfs/dbraw/zinc/48/57/88/1035485788.db2.gz DFDOMITXWZDQDY-UHFFFAOYSA-N -1 3 311.381 3.791 20 0 DHADHM CCCO[C@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000668460764 1035536770 /nfs/dbraw/zinc/53/67/70/1035536770.db2.gz ANZAPZULDLANPP-ZDUSSCGKSA-N -1 3 323.458 3.535 20 0 DHADHM CCCCCNC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001193326740 1035608485 /nfs/dbraw/zinc/60/84/85/1035608485.db2.gz SVTGFCMVZJKBLL-UHFFFAOYSA-N -1 3 315.211 3.775 20 0 DHADHM COc1ccc([C@@H](NCc2ccc(C(=O)[O-])o2)C2CCC2)cc1 ZINC000905750548 1035627344 /nfs/dbraw/zinc/62/73/44/1035627344.db2.gz LWMNVRSECZXKGY-KRWDZBQOSA-N -1 3 315.369 3.617 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(CCC3CCCCC3)no1)OCO2 ZINC000436911671 1035697596 /nfs/dbraw/zinc/69/75/96/1035697596.db2.gz UZZFFAUFZOXVCF-UHFFFAOYSA-N -1 3 316.357 3.684 20 0 DHADHM O=C(Nc1ccc2c(c1)CCO2)c1ccc([O-])cc1C(F)(F)F ZINC001193745932 1035726542 /nfs/dbraw/zinc/72/65/42/1035726542.db2.gz NRTQTXOMLXRQTM-UHFFFAOYSA-N -1 3 323.270 3.598 20 0 DHADHM O=C(Nc1ccc2oncc2c1)c1ccc([O-])cc1C(F)(F)F ZINC001193747891 1035730481 /nfs/dbraw/zinc/73/04/81/1035730481.db2.gz NLLSWYUHFDVNQQ-UHFFFAOYSA-N -1 3 322.242 3.805 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccccc1-c1ccncc1 ZINC001193938091 1035763324 /nfs/dbraw/zinc/76/33/24/1035763324.db2.gz MZINEXOOABGEKG-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM Cc1cc(OC(F)F)ccc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193936622 1035765237 /nfs/dbraw/zinc/76/52/37/1035765237.db2.gz QBNFRZZBKRZNSS-UHFFFAOYSA-N -1 3 323.295 3.568 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC001180936247 1035790795 /nfs/dbraw/zinc/79/07/95/1035790795.db2.gz DUAICJRRFDXFMU-SJLPKXTDSA-N -1 3 317.429 3.689 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001193946726 1035792451 /nfs/dbraw/zinc/79/24/51/1035792451.db2.gz YZNMPRDSONOBAA-QGZVFWFLSA-N -1 3 317.360 3.672 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1cc2ccccc2o1 ZINC001181101172 1035828988 /nfs/dbraw/zinc/82/89/88/1035828988.db2.gz RZIBRNRPZUFFHJ-UHFFFAOYSA-N -1 3 309.321 3.522 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1 ZINC000436998199 1035885788 /nfs/dbraw/zinc/88/57/88/1035885788.db2.gz YDTRTJGIGMVOMK-UHFFFAOYSA-N -1 3 324.336 3.961 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CCCCCCCCCO ZINC001181415945 1035906448 /nfs/dbraw/zinc/90/64/48/1035906448.db2.gz PRAJQWCNYOLSJZ-UHFFFAOYSA-N -1 3 321.417 3.646 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2ncsc2c1 ZINC000194069659 1035968354 /nfs/dbraw/zinc/96/83/54/1035968354.db2.gz ANOWMYUDCGMSGR-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(C2CC2)c1 ZINC001194644359 1035977953 /nfs/dbraw/zinc/97/79/53/1035977953.db2.gz RGDMFPILFHTIKL-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486102143 1036117240 /nfs/dbraw/zinc/11/72/40/1036117240.db2.gz CHYRBZQHNQVXSJ-MFKMUULPSA-N -1 3 317.307 3.555 20 0 DHADHM C[C@H]1CCN(Cc2cccc(Cl)c2Cl)[C@@H](C(=O)[O-])C1 ZINC000228829527 1036204781 /nfs/dbraw/zinc/20/47/81/1036204781.db2.gz LGHSVAUXSYGWOF-JOYOIKCWSA-N -1 3 302.201 3.679 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nccc(Cl)c1Cl ZINC001195460464 1036249166 /nfs/dbraw/zinc/24/91/66/1036249166.db2.gz YMPOVEPQSDWMOM-UHFFFAOYSA-N -1 3 317.559 4.000 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001182358745 1036258792 /nfs/dbraw/zinc/25/87/92/1036258792.db2.gz FZOOJIDCZKMJBP-QWHCGFSZSA-N -1 3 322.286 3.548 20 0 DHADHM CCCN(CCC)c1ccc(NC([S-])=NC(=O)OCC)cc1 ZINC001195484840 1036268780 /nfs/dbraw/zinc/26/87/80/1036268780.db2.gz USYFPLJAIZHAMZ-UHFFFAOYSA-N -1 3 323.462 3.756 20 0 DHADHM CCCN(CCC)c1ccc(NC(=S)[N-]C(=O)OCC)cc1 ZINC001195484840 1036268798 /nfs/dbraw/zinc/26/87/98/1036268798.db2.gz USYFPLJAIZHAMZ-UHFFFAOYSA-N -1 3 323.462 3.756 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(-c2ccccc2)c[nH]1 ZINC001195651736 1036310819 /nfs/dbraw/zinc/31/08/19/1036310819.db2.gz YRPLAJNQDPUMFB-UHFFFAOYSA-N -1 3 320.348 3.842 20 0 DHADHM CC(C)N([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195794014 1036347331 /nfs/dbraw/zinc/34/73/31/1036347331.db2.gz NILCJGWXQGSLJU-AWEZNQCLSA-N -1 3 319.426 3.553 20 0 DHADHM C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)[C@H](C(=O)[O-])C1 ZINC000300426758 1036433076 /nfs/dbraw/zinc/43/30/76/1036433076.db2.gz LGHSVAUXSYGWOF-SKDRFNHKSA-N -1 3 302.201 3.679 20 0 DHADHM CC(C)P(CCNC(=O)Cc1ccc([S-])cc1)C(C)C ZINC001183192279 1036538001 /nfs/dbraw/zinc/53/80/01/1036538001.db2.gz QPVYICQXUJULHD-UHFFFAOYSA-N -1 3 311.431 3.933 20 0 DHADHM O=C(CCCc1ccc(F)c(F)c1)[N-]OCc1ccccc1 ZINC000151578941 1036557536 /nfs/dbraw/zinc/55/75/36/1036557536.db2.gz BLKHAAOWYXOCFJ-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(-c2cccs2)nc1 ZINC001196784803 1036609979 /nfs/dbraw/zinc/60/99/79/1036609979.db2.gz YLCKKCPNQCHWHC-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM [O-]c1cc(NC(=S)NCc2ccccc2Cl)ccc1F ZINC001196825274 1036630279 /nfs/dbraw/zinc/63/02/79/1036630279.db2.gz REVXWWZXQDQPQJ-UHFFFAOYSA-N -1 3 310.781 3.671 20 0 DHADHM CCOc1cc(OC)cc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001197325734 1036752637 /nfs/dbraw/zinc/75/26/37/1036752637.db2.gz YRAJXFISKJAVBT-UHFFFAOYSA-N -1 3 321.760 3.705 20 0 DHADHM [O-]c1ccc(F)c(CN2CCc3cc(F)cc(F)c3C2)c1F ZINC001184418603 1036841693 /nfs/dbraw/zinc/84/16/93/1036841693.db2.gz QXKRCHTWVRPXJK-UHFFFAOYSA-N -1 3 311.278 3.507 20 0 DHADHM CC[C@@H](C)CN(CC)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000174943999 1036875749 /nfs/dbraw/zinc/87/57/49/1036875749.db2.gz JAHXJJVACKPZKL-GFCCVEGCSA-N -1 3 324.519 3.918 20 0 DHADHM Cc1ccc(NC(=S)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001197900150 1036901313 /nfs/dbraw/zinc/90/13/13/1036901313.db2.gz YYEZDCJNXPWXEV-UHFFFAOYSA-N -1 3 324.409 3.695 20 0 DHADHM CCc1csc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000910735200 1036938638 /nfs/dbraw/zinc/93/86/38/1036938638.db2.gz YNUSRUBFWHWSPJ-QMMMGPOBSA-N -1 3 310.806 3.556 20 0 DHADHM CN(C)c1cc(F)cc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001198127893 1036947077 /nfs/dbraw/zinc/94/70/77/1036947077.db2.gz RZQWWFSRXFKGTI-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM O=C1[N-]C(=O)/C(=C/c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000761477530 1036958998 /nfs/dbraw/zinc/95/89/98/1036958998.db2.gz MHXHJJGFDCIAOX-YRNVUSSQSA-N -1 3 323.295 3.578 20 0 DHADHM O=c1cc(CN(Cc2ccoc2)C2CC2)nc(-c2ccccc2)[n-]1 ZINC001198146930 1036960229 /nfs/dbraw/zinc/96/02/29/1036960229.db2.gz JRQGHRPZBWUOHS-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM Cc1ccc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)cc1F ZINC000316246569 1037079410 /nfs/dbraw/zinc/07/94/10/1037079410.db2.gz DFIURJYHSDUAMD-SNVBAGLBSA-N -1 3 317.389 3.695 20 0 DHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000774866268 1037119262 /nfs/dbraw/zinc/11/92/62/1037119262.db2.gz AMLFJRPWUDMDBV-UHFFFAOYSA-N -1 3 317.429 3.955 20 0 DHADHM CN(C)c1ccc(NC(=S)Nc2c([O-])cccc2Cl)cc1 ZINC001198762139 1037125224 /nfs/dbraw/zinc/12/52/24/1037125224.db2.gz ABAVUMIUGJWIGK-UHFFFAOYSA-N -1 3 321.833 3.921 20 0 DHADHM CN(C)c1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001198762166 1037125842 /nfs/dbraw/zinc/12/58/42/1037125842.db2.gz AULBFIVGLIIDGR-UHFFFAOYSA-N -1 3 321.833 3.921 20 0 DHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198830142 1037134554 /nfs/dbraw/zinc/13/45/54/1037134554.db2.gz GSSNNGCPASBDGR-UHFFFAOYSA-N -1 3 322.773 3.590 20 0 DHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198831020 1037136124 /nfs/dbraw/zinc/13/61/24/1037136124.db2.gz QMTNSNTZVFRECY-UHFFFAOYSA-N -1 3 322.773 3.590 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)ccc1Cl ZINC001185484261 1037157149 /nfs/dbraw/zinc/15/71/49/1037157149.db2.gz CZCIRNGJMGQBQT-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)c(C)c1 ZINC001198943302 1037166300 /nfs/dbraw/zinc/16/63/00/1037166300.db2.gz DPQVUSZDPGSRFT-UHFFFAOYSA-N -1 3 317.410 3.682 20 0 DHADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC001185909749 1037264957 /nfs/dbraw/zinc/26/49/57/1037264957.db2.gz ZDHWEASFNCQHFM-MNOVXSKESA-N -1 3 319.829 3.584 20 0 DHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1 ZINC000074934659 1037290530 /nfs/dbraw/zinc/29/05/30/1037290530.db2.gz VXEWYBUYJLHGKD-GFCCVEGCSA-N -1 3 304.415 3.704 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)CCc1ccccc1 ZINC001186020118 1037292574 /nfs/dbraw/zinc/29/25/74/1037292574.db2.gz AMUCFXDCLWMRGF-ZDUSSCGKSA-N -1 3 311.381 3.802 20 0 DHADHM Cn1ccnc1[C@H]([N-]c1nc2ccccc2o1)c1cccc(F)c1 ZINC000054551826 1037361929 /nfs/dbraw/zinc/36/19/29/1037361929.db2.gz OHRNWDTXGWFVIM-MRXNPFEDSA-N -1 3 322.343 3.902 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)N[C@@H]1CCCc2ccccc21 ZINC001186459027 1037423110 /nfs/dbraw/zinc/42/31/10/1037423110.db2.gz WYENILCJYZKFKK-OAHLLOKOSA-N -1 3 300.333 3.730 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC(C)C)c1 ZINC000493372509 1037424099 /nfs/dbraw/zinc/42/40/99/1037424099.db2.gz YCWBXQQHONDODC-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1cc(=O)[n-]c(CSCc2csc(-c3ccco3)n2)n1 ZINC000763207520 1037478662 /nfs/dbraw/zinc/47/86/62/1037478662.db2.gz ATNLORMQYPOHKR-UHFFFAOYSA-N -1 3 319.411 3.641 20 0 DHADHM COc1cc(CSCc2nc(C)cc(=O)[n-]2)ccc1SC ZINC000763218284 1037510710 /nfs/dbraw/zinc/51/07/10/1037510710.db2.gz VIVVTLVSDKLVHT-UHFFFAOYSA-N -1 3 322.455 3.655 20 0 DHADHM COCc1cc(-c2cc([O-])cc(Cl)c2)nc(C(C)(C)C)n1 ZINC001235899748 1037534299 /nfs/dbraw/zinc/53/42/99/1037534299.db2.gz KOLNVLRZQVUHHC-UHFFFAOYSA-N -1 3 306.793 3.947 20 0 DHADHM CCCCCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000763267584 1037541568 /nfs/dbraw/zinc/54/15/68/1037541568.db2.gz LGOJJNSRFJVYSK-MRXNPFEDSA-N -1 3 306.406 3.999 20 0 DHADHM CCCCCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000763267584 1037541579 /nfs/dbraw/zinc/54/15/79/1037541579.db2.gz LGOJJNSRFJVYSK-MRXNPFEDSA-N -1 3 306.406 3.999 20 0 DHADHM Cc1c(Nc2ncc(Cl)cc2[O-])cnn1-c1ccccc1 ZINC001201366966 1037612725 /nfs/dbraw/zinc/61/27/25/1037612725.db2.gz IIBPOLBJDMSFQQ-UHFFFAOYSA-N -1 3 300.749 3.678 20 0 DHADHM CC(C)c1ccc(C(=O)NCCc2ccc(Cl)nc2)c([O-])c1 ZINC000761590002 1037718064 /nfs/dbraw/zinc/71/80/64/1037718064.db2.gz CFTITQFPOGAFQU-UHFFFAOYSA-N -1 3 318.804 3.537 20 0 DHADHM COc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)c([O-])c1 ZINC000916437367 1037760971 /nfs/dbraw/zinc/76/09/71/1037760971.db2.gz VONZZSBFBQTTEC-UHFFFAOYSA-N -1 3 317.429 3.833 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC=CC12CCCC2 ZINC000913204560 1037761173 /nfs/dbraw/zinc/76/11/73/1037761173.db2.gz IAZUDCQMRNJMTE-UHFFFAOYSA-N -1 3 303.377 3.565 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(C)c(F)c1 ZINC001187989906 1037770363 /nfs/dbraw/zinc/77/03/63/1037770363.db2.gz VQOYYLBPPSZOLB-UHFFFAOYSA-N -1 3 302.305 3.686 20 0 DHADHM Cc1ccc(Cn2nccc2NCc2cc([O-])cc(F)c2)s1 ZINC000185510515 1037812301 /nfs/dbraw/zinc/81/23/01/1037812301.db2.gz YRNWOZNVRRQWGY-UHFFFAOYSA-N -1 3 317.389 3.758 20 0 DHADHM Cc1ccccc1-c1cc(NCc2cc([O-])cc(F)c2)n(C)n1 ZINC000185579290 1037819689 /nfs/dbraw/zinc/81/96/89/1037819689.db2.gz QRJYAIMRQPPTIM-UHFFFAOYSA-N -1 3 311.360 3.852 20 0 DHADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125402624 1037936102 /nfs/dbraw/zinc/93/61/02/1037936102.db2.gz SKJSJLJBOLGSKY-SNVBAGLBSA-N -1 3 319.323 3.801 20 0 DHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCC(C)C)nc(=O)c2c1C ZINC000005754219 1037940236 /nfs/dbraw/zinc/94/02/36/1037940236.db2.gz MDVDTSPQFYJSPE-SNVBAGLBSA-N -1 3 322.430 3.642 20 0 DHADHM Cc1nc(-c2cccc(NC(=O)c3c([O-])cccc3O)c2)oc1C ZINC000125708696 1037950299 /nfs/dbraw/zinc/95/02/99/1037950299.db2.gz CYVDFMBPODHKLN-UHFFFAOYSA-N -1 3 324.336 3.622 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC001188640426 1037957831 /nfs/dbraw/zinc/95/78/31/1037957831.db2.gz NTGHYXMDXRIECQ-UHFFFAOYSA-N -1 3 319.404 3.901 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)n[n-]2)o1 ZINC000916851412 1037992655 /nfs/dbraw/zinc/99/26/55/1037992655.db2.gz JQUZSAYCRDMABR-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)[n-]n2)o1 ZINC000916851412 1037992667 /nfs/dbraw/zinc/99/26/67/1037992667.db2.gz JQUZSAYCRDMABR-UHFFFAOYSA-N -1 3 302.717 3.851 20 0 DHADHM O=S(=O)(CC1CC1)[N-]c1cc(C2CCCCC2)ccc1O ZINC001188977178 1038015451 /nfs/dbraw/zinc/01/54/51/1038015451.db2.gz LLDJSSNQMCRIRR-UHFFFAOYSA-N -1 3 309.431 3.592 20 0 DHADHM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)CC1CC1 ZINC001188977538 1038049439 /nfs/dbraw/zinc/04/94/39/1038049439.db2.gz TVJAVZUGWRGDGU-UHFFFAOYSA-N -1 3 315.410 3.545 20 0 DHADHM CCCCOc1ccc(NC(=O)Nc2cncc([O-])c2)cc1 ZINC001189288372 1038110167 /nfs/dbraw/zinc/11/01/67/1038110167.db2.gz LPEXVQNCWSEVLG-UHFFFAOYSA-N -1 3 301.346 3.610 20 0 DHADHM CSc1nc(NC(=O)CC=Cc2ccc(C(C)C)cc2)n[n-]1 ZINC000494504327 1038113171 /nfs/dbraw/zinc/11/31/71/1038113171.db2.gz ALKGERMOJTUXNI-SNAWJCMRSA-N -1 3 316.430 3.692 20 0 DHADHM C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@@]1(C)C(=O)[O-] ZINC000571291125 1038120630 /nfs/dbraw/zinc/12/06/30/1038120630.db2.gz LWANNCNGBRPKRU-SJKOYZFVSA-N -1 3 322.474 3.733 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)c(-n2cccc2)s1 ZINC001189305081 1038121775 /nfs/dbraw/zinc/12/17/75/1038121775.db2.gz YVAWINNGOZXPAH-UHFFFAOYSA-N -1 3 316.357 3.944 20 0 DHADHM COc1ccc(C)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000055555895 1038188077 /nfs/dbraw/zinc/18/80/77/1038188077.db2.gz DNMWIFUAUJDCBL-ZHACJKMWSA-N -1 3 317.410 3.725 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189749365 1038205344 /nfs/dbraw/zinc/20/53/44/1038205344.db2.gz SGHXSSNNWIXKHN-AOOOYVTPSA-N -1 3 317.307 3.694 20 0 DHADHM Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)c([O-])c2)s1 ZINC001190498171 1038337151 /nfs/dbraw/zinc/33/71/51/1038337151.db2.gz KLNGKOGBKLOMMO-UHFFFAOYSA-N -1 3 320.267 3.567 20 0 DHADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(=O)[n-]c2Cl)c1C ZINC001190926987 1038405372 /nfs/dbraw/zinc/40/53/72/1038405372.db2.gz ZQPKGEGMIVNKPA-LLVKDONJSA-N -1 3 304.777 3.548 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2Cl)c1[O-] ZINC000572668732 1038491193 /nfs/dbraw/zinc/49/11/93/1038491193.db2.gz VDQDSBPVRZQYNR-UHFFFAOYSA-N -1 3 321.735 3.569 20 0 DHADHM O=S(=O)(CC1CCCC1)[N-]c1cc(F)c(Cl)cc1F ZINC001191535634 1038516134 /nfs/dbraw/zinc/51/61/34/1038516134.db2.gz NTYDGKGLRNDISE-UHFFFAOYSA-N -1 3 309.765 3.550 20 0 DHADHM CCCCCCNC(=O)Nc1c([O-])cccc1Br ZINC001191980374 1038577811 /nfs/dbraw/zinc/57/78/11/1038577811.db2.gz RAJODYJAZWAQRK-UHFFFAOYSA-N -1 3 315.211 3.857 20 0 DHADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001192295423 1038623102 /nfs/dbraw/zinc/62/31/02/1038623102.db2.gz ZACSXVPVAIHLND-GFCCVEGCSA-N -1 3 324.471 3.525 20 0 DHADHM CC(C)P(CCNC(=O)c1c(F)ccc(F)c1[O-])C(C)C ZINC001192717754 1038697461 /nfs/dbraw/zinc/69/74/61/1038697461.db2.gz IBRARPWPQUPSKF-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1F ZINC000590905865 1038725107 /nfs/dbraw/zinc/72/51/07/1038725107.db2.gz XIBMICPZFCIUCF-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)c1noc([C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000573191102 1038822632 /nfs/dbraw/zinc/82/26/32/1038822632.db2.gz DJYBKZILLPRTPH-VIFPVBQESA-N -1 3 320.418 3.560 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1[O-] ZINC000573686695 1039068026 /nfs/dbraw/zinc/06/80/26/1039068026.db2.gz RAHRGNCULLXZLT-UHFFFAOYSA-N -1 3 309.365 3.655 20 0 DHADHM CCC/C=C/C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000061385515 1039274747 /nfs/dbraw/zinc/27/47/47/1039274747.db2.gz NPBZKTIJAMHGIW-JARNTUPDSA-N -1 3 320.414 3.562 20 0 DHADHM O=C([O-])Cc1ccccc1CN(Cc1cccs1)C1CC1 ZINC000167712497 1039550869 /nfs/dbraw/zinc/55/08/69/1039550869.db2.gz RDJODBVLCQGDMQ-UHFFFAOYSA-N -1 3 301.411 3.540 20 0 DHADHM Cc1oc([C@@H](C)N(C)CCOc2cccc(C)c2)cc1C(=O)[O-] ZINC000574331566 1039606105 /nfs/dbraw/zinc/60/61/05/1039606105.db2.gz FUGJNJKVURFJAB-CYBMUJFWSA-N -1 3 317.385 3.666 20 0 DHADHM O=S(=O)([N-]c1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000062106626 1039663954 /nfs/dbraw/zinc/66/39/54/1039663954.db2.gz GMEQVRABBSVIMC-UHFFFAOYSA-N -1 3 317.410 3.809 20 0 DHADHM CCOc1ccccc1CNCc1c([O-])ccc(Cl)c1F ZINC000190849152 1039726528 /nfs/dbraw/zinc/72/65/28/1039726528.db2.gz ODOKFIDVXWNPPK-UHFFFAOYSA-N -1 3 309.768 3.873 20 0 DHADHM CCc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000607031164 1040072844 /nfs/dbraw/zinc/07/28/44/1040072844.db2.gz LBYIINWPQHOREP-UHFFFAOYSA-N -1 3 312.394 3.598 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000607873240 1040316414 /nfs/dbraw/zinc/31/64/14/1040316414.db2.gz KLJKDRKERUJMCP-UHFFFAOYSA-N -1 3 317.429 3.594 20 0 DHADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000608955686 1040658211 /nfs/dbraw/zinc/65/82/11/1040658211.db2.gz LNQXIZYGVIZDOH-UHFFFAOYSA-N -1 3 321.467 3.967 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC=C(c3ccccn3)C2)c([O-])c1 ZINC000646454476 1041057351 /nfs/dbraw/zinc/05/73/51/1041057351.db2.gz JCPAHFWIJJITLQ-UHFFFAOYSA-N -1 3 322.408 3.840 20 0 DHADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)[N-]OCCCC(F)(F)F ZINC000828335731 1041206051 /nfs/dbraw/zinc/20/60/51/1041206051.db2.gz GUCJADUPJMGUEP-KGLIPLIRSA-N -1 3 315.335 3.646 20 0 DHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000417526865 334953495 /nfs/dbraw/zinc/95/34/95/334953495.db2.gz CSFIFEMJDIHGKT-AWEZNQCLSA-N -1 3 323.389 3.592 20 0 DHADHM CSc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417532935 334954141 /nfs/dbraw/zinc/95/41/41/334954141.db2.gz LSCPEOWLLLEGKA-LLVKDONJSA-N -1 3 313.469 3.837 20 0 DHADHM CC(C)(C)c1cnc(CN[C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000417556956 334974100 /nfs/dbraw/zinc/97/41/00/334974100.db2.gz AIAXQSAAVMQQNK-QWHCGFSZSA-N -1 3 324.490 3.954 20 0 DHADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)O1 ZINC000134214080 334992892 /nfs/dbraw/zinc/99/28/92/334992892.db2.gz QJBUUMIAZYPHCY-GXSJLCMTSA-N -1 3 317.307 3.697 20 0 DHADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1ncc(C(F)(F)F)s1 ZINC000417595188 335001497 /nfs/dbraw/zinc/00/14/97/335001497.db2.gz XNSTWOWIHGDXLJ-QMMMGPOBSA-N -1 3 324.368 3.531 20 0 DHADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000417604692 335004231 /nfs/dbraw/zinc/00/42/31/335004231.db2.gz VCZIALAVNPHYNM-MRXNPFEDSA-N -1 3 317.360 3.530 20 0 DHADHM CSc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417612533 335011366 /nfs/dbraw/zinc/01/13/66/335011366.db2.gz BZHIXTSJXFEXKU-DLBZAZTESA-N -1 3 313.422 3.811 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC000417616302 335009296 /nfs/dbraw/zinc/00/92/96/335009296.db2.gz HDLFMKOKTHKDEX-CHWSQXEVSA-N -1 3 315.344 3.513 20 0 DHADHM CC(C)Cc1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417626431 335015801 /nfs/dbraw/zinc/01/58/01/335015801.db2.gz NEALBUKWMHLXLP-CQSZACIVSA-N -1 3 317.351 3.628 20 0 DHADHM CC(C)=CCSC[C@H](NCc1coc2ccccc12)C(=O)[O-] ZINC000417621306 335017485 /nfs/dbraw/zinc/01/74/85/335017485.db2.gz FDFSMHGEFRRQTB-HNNXBMFYSA-N -1 3 319.426 3.675 20 0 DHADHM CCc1ccc(-c2ccc(CN[C@@H]3C=C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000417623222 335017954 /nfs/dbraw/zinc/01/79/54/335017954.db2.gz PEVIQBROQNEJPJ-JKSUJKDBSA-N -1 3 311.381 3.628 20 0 DHADHM CC(C)c1ncc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417630743 335018772 /nfs/dbraw/zinc/01/87/72/335018772.db2.gz RHLCVPZPUBTWDF-LSDHHAIUSA-N -1 3 316.426 3.669 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000417633223 335020582 /nfs/dbraw/zinc/02/05/82/335020582.db2.gz ZJXHTKXYDCHBSU-CYBMUJFWSA-N -1 3 303.358 3.805 20 0 DHADHM CSc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636729 335021470 /nfs/dbraw/zinc/02/14/70/335021470.db2.gz YCYHGOFLIOGWAK-KBPBESRZSA-N -1 3 319.451 3.873 20 0 DHADHM O=C(c1cccc2cccnc21)N1CCCc2cccc([O-])c21 ZINC000320466279 335031763 /nfs/dbraw/zinc/03/17/63/335031763.db2.gz PWGMQGYJEGUALN-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM CC[C@@H](CCNCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000417672419 335037003 /nfs/dbraw/zinc/03/70/03/335037003.db2.gz SRFMTQKPAIUDMH-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM O=C(Cc1ccsc1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442933650 338439739 /nfs/dbraw/zinc/43/97/39/338439739.db2.gz KAZOKAYRGTUOAS-UHFFFAOYSA-N -1 3 317.288 3.534 20 0 DHADHM CC[C@@H](CCNCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000417670064 335038570 /nfs/dbraw/zinc/03/85/70/335038570.db2.gz NWZCCTRXLZHCGC-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000055549682 183990879 /nfs/dbraw/zinc/99/08/79/183990879.db2.gz SRTYQSQVJAQYKC-UHFFFAOYSA-N -1 3 312.369 3.692 20 0 DHADHM O=C([O-])[C@@H](CC1CCC1)NCc1c(Cl)oc2ccccc21 ZINC000417694932 335053822 /nfs/dbraw/zinc/05/38/22/335053822.db2.gz AMHSCCFUJNJBOI-CYBMUJFWSA-N -1 3 307.777 3.819 20 0 DHADHM COc1cc(C(=O)NC(CC(C)C)CC(C)C)cc(OC)c1[O-] ZINC000152403126 335057509 /nfs/dbraw/zinc/05/75/09/335057509.db2.gz ICPDYKAUCPNNKJ-UHFFFAOYSA-N -1 3 323.433 3.600 20 0 DHADHM CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000069693286 184836896 /nfs/dbraw/zinc/83/68/96/184836896.db2.gz LGOONOWBSIEIIM-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000271798245 129961697 /nfs/dbraw/zinc/96/16/97/129961697.db2.gz LSHFGFBFLAAFFE-UHFFFAOYSA-N -1 3 320.723 3.937 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000271798245 129961700 /nfs/dbraw/zinc/96/17/00/129961700.db2.gz LSHFGFBFLAAFFE-UHFFFAOYSA-N -1 3 320.723 3.937 20 0 DHADHM O=C(CCCc1ncc(-c2ccccc2)o1)[N-]OC1CCCC1 ZINC000271795028 129962668 /nfs/dbraw/zinc/96/26/68/129962668.db2.gz REXSAJWFNJKYNJ-UHFFFAOYSA-N -1 3 314.385 3.655 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)ccc1[O-] ZINC000272594457 130045250 /nfs/dbraw/zinc/04/52/50/130045250.db2.gz JBNYUYHGOOUHQM-JSGCOSHPSA-N -1 3 315.369 3.607 20 0 DHADHM COc1cccc(C=C2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000272713880 130057214 /nfs/dbraw/zinc/05/72/14/130057214.db2.gz FORSOTXEWXRRHC-UHFFFAOYSA-N -1 3 323.392 3.720 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nccs2)c([O-])c1 ZINC000273355648 130110910 /nfs/dbraw/zinc/11/09/10/130110910.db2.gz CREURDUREWZJAL-LBPRGKRZSA-N -1 3 318.442 3.848 20 0 DHADHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)c[n-]c12 ZINC000274927426 130275660 /nfs/dbraw/zinc/27/56/60/130275660.db2.gz KLYTYYBKEBAFIX-INIZCTEOSA-N -1 3 321.380 3.554 20 0 DHADHM CON(CC(C)(C)C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000285445888 131169700 /nfs/dbraw/zinc/16/97/00/131169700.db2.gz IRIMGDYEJADBKP-JTQLQIEISA-N -1 3 323.462 3.984 20 0 DHADHM Cc1noc(C)c1C(C)(C)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000286592196 131242486 /nfs/dbraw/zinc/24/24/86/131242486.db2.gz ZABMPLDLJXZXEN-UHFFFAOYSA-N -1 3 322.355 3.743 20 0 DHADHM COCCCO[N-]C(=O)Nc1ccccc1SC1CCCC1 ZINC000286923151 131256017 /nfs/dbraw/zinc/25/60/17/131256017.db2.gz HIJVWEUIUDQGSG-UHFFFAOYSA-N -1 3 324.446 3.811 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@H]2c2cccs2)n1 ZINC000287095482 131264191 /nfs/dbraw/zinc/26/41/91/131264191.db2.gz XLZVADQAKQSLLJ-BXUZGUMPSA-N -1 3 303.431 3.696 20 0 DHADHM COc1cccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1[O-] ZINC000288593872 131331968 /nfs/dbraw/zinc/33/19/68/131331968.db2.gz LSMPDYZAUUBHAR-OAHLLOKOSA-N -1 3 317.410 3.686 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cccc2c[nH]nc21 ZINC000340315416 131384653 /nfs/dbraw/zinc/38/46/53/131384653.db2.gz ZRJACKSBYCDLOV-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc([O-])ccc1Cl ZINC000340421476 131723232 /nfs/dbraw/zinc/72/32/32/131723232.db2.gz YHMQTFKLEMOLLL-IINYFYTJSA-N -1 3 323.726 3.610 20 0 DHADHM Cc1ncsc1CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000298611547 132070189 /nfs/dbraw/zinc/07/01/89/132070189.db2.gz ODOZWDPUGZTEKJ-LLVKDONJSA-N -1 3 316.426 3.630 20 0 DHADHM CC(C)CCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000299459716 132106685 /nfs/dbraw/zinc/10/66/85/132106685.db2.gz YEWMHPHKKMEBJE-ZDUSSCGKSA-N -1 3 300.402 3.885 20 0 DHADHM Cc1nc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cs1 ZINC000320505060 335067587 /nfs/dbraw/zinc/06/75/87/335067587.db2.gz XRMJQHWJYGNDEU-UHFFFAOYSA-N -1 3 323.377 3.951 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[O-] ZINC000190739783 335087760 /nfs/dbraw/zinc/08/77/60/335087760.db2.gz SJTBLGBXORVZMN-LBPRGKRZSA-N -1 3 315.335 3.751 20 0 DHADHM Cc1cc(C)cc(C2(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)CC2)c1 ZINC000615138263 430579579 /nfs/dbraw/zinc/57/95/79/430579579.db2.gz WRHYAMCKABOSQA-UHFFFAOYSA-N -1 3 321.380 3.556 20 0 DHADHM CCc1cc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 ZINC000606887344 435343293 /nfs/dbraw/zinc/34/32/93/435343293.db2.gz LQMNTHOYWCUDDG-UHFFFAOYSA-N -1 3 317.732 3.798 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H](F)C2)c1Br ZINC000583933944 331474629 /nfs/dbraw/zinc/47/46/29/331474629.db2.gz DYEPRTDTQVTEEK-GHMZBOCLSA-N -1 3 302.187 3.525 20 0 DHADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c([O-])c1 ZINC000530458498 331486416 /nfs/dbraw/zinc/48/64/16/331486416.db2.gz QKNHFWKTZYSFRI-BETUJISGSA-N -1 3 323.458 3.537 20 0 DHADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)cc2F)c1[O-] ZINC000530878678 331632037 /nfs/dbraw/zinc/63/20/37/331632037.db2.gz ODPIRYAEQGNZME-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CC(C)[C@@H]1C[C@@](NCc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC000556322598 331664180 /nfs/dbraw/zinc/66/41/80/331664180.db2.gz SYNXDKHFQSXAHP-PXNSSMCTSA-N -1 3 309.409 3.900 20 0 DHADHM CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255180580 331723346 /nfs/dbraw/zinc/72/33/46/331723346.db2.gz DGJVMTSMQPLPTD-UTCJRWHESA-N -1 3 322.817 3.564 20 0 DHADHM CCOCc1ccccc1-c1noc(/C=C/c2cncc([O-])c2)n1 ZINC000445201877 331725981 /nfs/dbraw/zinc/72/59/81/331725981.db2.gz AJGSRPYOXDITDG-BQYQJAHWSA-N -1 3 323.352 3.544 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)/C=C\c2cncc(F)c2)c1[O-] ZINC000255307019 331730609 /nfs/dbraw/zinc/73/06/09/331730609.db2.gz ZVOYEKVECOVICE-IHWYPQMZSA-N -1 3 306.724 3.540 20 0 DHADHM COc1cccc(CCC(=O)Nc2cc(Cl)ccc2[O-])c1F ZINC000556935333 331755946 /nfs/dbraw/zinc/75/59/46/331755946.db2.gz DZVOUSWOGWQMNO-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM CCc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000557004204 331762025 /nfs/dbraw/zinc/76/20/25/331762025.db2.gz BNGMTFUUUWMMGE-UHFFFAOYSA-N -1 3 317.345 3.752 20 0 DHADHM O=C([O-])[C@H](CCc1ccccc1)NCc1ccccc1Cl ZINC000426766414 331767956 /nfs/dbraw/zinc/76/79/56/331767956.db2.gz DHYCNPIIWXFKTL-INIZCTEOSA-N -1 3 303.789 3.516 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000558067098 331848963 /nfs/dbraw/zinc/84/89/63/331848963.db2.gz WZFUQMJPGOZBEJ-CYBMUJFWSA-N -1 3 311.381 3.721 20 0 DHADHM Cc1ccc(NC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000363403111 331898098 /nfs/dbraw/zinc/89/80/98/331898098.db2.gz WVQMTJWKAICCFR-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM CCCC[C@@H](C)N(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000558603404 331927435 /nfs/dbraw/zinc/92/74/35/331927435.db2.gz TVKYUSWGOWDDHB-CYBMUJFWSA-N -1 3 314.433 3.822 20 0 DHADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(SC)cc1OC ZINC000518194900 331996524 /nfs/dbraw/zinc/99/65/24/331996524.db2.gz KFXBFTURQOOWCW-LBPRGKRZSA-N -1 3 317.476 3.738 20 0 DHADHM O=C([C@@H]1CCCc2sccc21)N1CCCc2cccc([O-])c21 ZINC000130049358 332022142 /nfs/dbraw/zinc/02/21/42/332022142.db2.gz ZIHIFEGUXMDSAH-CQSZACIVSA-N -1 3 313.422 3.853 20 0 DHADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)n1 ZINC000087128888 332028325 /nfs/dbraw/zinc/02/83/25/332028325.db2.gz YSVOZDHOWLPNHF-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cc1cccc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)n1 ZINC000087128888 332028326 /nfs/dbraw/zinc/02/83/26/332028326.db2.gz YSVOZDHOWLPNHF-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccc2n[n-]nc2c1 ZINC000409650978 332043749 /nfs/dbraw/zinc/04/37/49/332043749.db2.gz VNIFFMYAVZWQOZ-SFHVURJKSA-N -1 3 320.396 3.619 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(c3ccccc3)CC2)n1 ZINC000569424398 332080318 /nfs/dbraw/zinc/08/03/18/332080318.db2.gz AMDUZWDDLDDYGN-OAHLLOKOSA-N -1 3 311.429 3.605 20 0 DHADHM C[C@H](CCNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000410217213 332100079 /nfs/dbraw/zinc/10/00/79/332100079.db2.gz GAMLUZDJCVNOFV-CYBMUJFWSA-N -1 3 317.816 3.898 20 0 DHADHM Cc1coc(-c2cc(NC(=O)c3c([O-])cccc3O)ccc2C)n1 ZINC000092125253 332112913 /nfs/dbraw/zinc/11/29/13/332112913.db2.gz TZXRWFKWWQOLHU-UHFFFAOYSA-N -1 3 324.336 3.622 20 0 DHADHM CCCCN(C(=O)c1cccc2[n-]nnc21)[C@H]1CCC[C@@H](C)C1 ZINC000569522416 332123445 /nfs/dbraw/zinc/12/34/45/332123445.db2.gz MNFUEFXZAVZUCK-KGLIPLIRSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2nn[n-]c21)[C@H]1CCC[C@@H](C)C1 ZINC000569522416 332123447 /nfs/dbraw/zinc/12/34/47/332123447.db2.gz MNFUEFXZAVZUCK-KGLIPLIRSA-N -1 3 314.433 3.779 20 0 DHADHM CCCCN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCC[C@@H](C)C1 ZINC000569522416 332123449 /nfs/dbraw/zinc/12/34/49/332123449.db2.gz MNFUEFXZAVZUCK-KGLIPLIRSA-N -1 3 314.433 3.779 20 0 DHADHM CC(C)(C)C[C@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000426777456 332135660 /nfs/dbraw/zinc/13/56/60/332135660.db2.gz NMEJDTIDIHCGSA-LBPRGKRZSA-N -1 3 321.314 3.824 20 0 DHADHM CC(C)Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426810434 332151961 /nfs/dbraw/zinc/15/19/61/332151961.db2.gz ZMKCHJVDXODKGE-SFHVURJKSA-N -1 3 315.388 3.940 20 0 DHADHM O=C([O-])[C@H](NCc1cccc(-c2ccncc2)c1)c1ccccc1 ZINC000426808895 332152154 /nfs/dbraw/zinc/15/21/54/332152154.db2.gz BBQHNUIQXCKFPT-LJQANCHMSA-N -1 3 318.376 3.664 20 0 DHADHM CCC[C@H](C)C[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426794046 332154558 /nfs/dbraw/zinc/15/45/58/332154558.db2.gz QCNGWMCWTUAWDF-GXFFZTMASA-N -1 3 301.789 3.848 20 0 DHADHM CC(C)(C)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426798879 332155148 /nfs/dbraw/zinc/15/51/48/332155148.db2.gz GNVIIMOKBNOCTR-GFCCVEGCSA-N -1 3 304.217 3.972 20 0 DHADHM CCc1ccc([C@H](NCc2cc(F)ccc2C)C(=O)[O-])cc1 ZINC000426826594 332155643 /nfs/dbraw/zinc/15/56/43/332155643.db2.gz TVWHBARJEJLHOB-KRWDZBQOSA-N -1 3 301.361 3.612 20 0 DHADHM CCC[C@H](C)C[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000426826932 332155791 /nfs/dbraw/zinc/15/57/91/332155791.db2.gz UPFCOGWVYPKWSO-NHYWBVRUSA-N -1 3 313.825 3.718 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000426827556 332155930 /nfs/dbraw/zinc/15/59/30/332155930.db2.gz SLZAOWGLSXRJFU-INIZCTEOSA-N -1 3 312.344 3.613 20 0 DHADHM CC(C)Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426827524 332156068 /nfs/dbraw/zinc/15/60/68/332156068.db2.gz SIOVQQZKTBJWFU-GOSISDBHSA-N -1 3 315.388 3.940 20 0 DHADHM O=C([O-])[C@H](NCc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000426817986 332157724 /nfs/dbraw/zinc/15/77/24/332157724.db2.gz QPVPGVLQZDQIFU-GOSISDBHSA-N -1 3 309.340 3.894 20 0 DHADHM CSC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCC1 ZINC000427065767 332166924 /nfs/dbraw/zinc/16/69/24/332166924.db2.gz ANRVXQZINOZQNS-UHFFFAOYSA-N -1 3 305.321 3.635 20 0 DHADHM CC(C)[C@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000569612436 332205409 /nfs/dbraw/zinc/20/54/09/332205409.db2.gz XRDFSTWQKCDFQU-MRXNPFEDSA-N -1 3 314.385 3.660 20 0 DHADHM CC1(C)CCC[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000569613702 332256911 /nfs/dbraw/zinc/25/69/11/332256911.db2.gz OKDAMKLZGVGYOL-CQSZACIVSA-N -1 3 307.409 3.797 20 0 DHADHM CC1CCC(OC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000370881338 332276916 /nfs/dbraw/zinc/27/69/16/332276916.db2.gz NGLDLWIRERLNGS-UHFFFAOYSA-N -1 3 317.429 3.592 20 0 DHADHM Cc1ccccc1O[C@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000560024811 332302794 /nfs/dbraw/zinc/30/27/94/332302794.db2.gz NEYKPUYZPLYMRX-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM CCC1(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CCCC1 ZINC000560356757 332334458 /nfs/dbraw/zinc/33/44/58/332334458.db2.gz KVLTWBSWBPTAGW-UHFFFAOYSA-N -1 3 309.373 3.744 20 0 DHADHM CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1C ZINC000560551393 332358027 /nfs/dbraw/zinc/35/80/27/332358027.db2.gz WYZFAYOCUSRDFO-UHFFFAOYSA-N -1 3 313.353 3.554 20 0 DHADHM CC(=O)c1cccc(NC(=O)CSc2ccccc2C)c1[O-] ZINC000560551304 332358029 /nfs/dbraw/zinc/35/80/29/332358029.db2.gz WKCRMMBCYPCEJO-UHFFFAOYSA-N -1 3 315.394 3.634 20 0 DHADHM O=C(Cc1coc2ccccc12)Nc1cc(Cl)ccc1[O-] ZINC000560598708 332367496 /nfs/dbraw/zinc/36/74/96/332367496.db2.gz VPJUBXUXIVFNBI-UHFFFAOYSA-N -1 3 301.729 3.973 20 0 DHADHM Cc1ccccc1OCCCN(C)Cc1csc(C(=O)[O-])c1 ZINC000566357922 332374638 /nfs/dbraw/zinc/37/46/38/332374638.db2.gz PCWRTMGLXBBKBU-UHFFFAOYSA-N -1 3 319.426 3.656 20 0 DHADHM CN(Cc1ccsc1C(=O)[O-])CC1(c2ccccc2)CC1 ZINC000583386834 332379104 /nfs/dbraw/zinc/37/91/04/332379104.db2.gz NTGAPMOCPMHOEF-UHFFFAOYSA-N -1 3 301.411 3.610 20 0 DHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC000489001058 332480456 /nfs/dbraw/zinc/48/04/56/332480456.db2.gz HHUGJEPENWWUQB-GBIKHYSHSA-N -1 3 319.829 3.582 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2cnc3ccsc3c2)s1 ZINC000525657775 332532642 /nfs/dbraw/zinc/53/26/42/332532642.db2.gz QKRFDZVTDKOPDC-UHFFFAOYSA-N -1 3 318.427 3.698 20 0 DHADHM Cc1ccc2oc(SCc3cc(=O)[n-]c(C4CC4)n3)nc2c1 ZINC000562717714 332619583 /nfs/dbraw/zinc/61/95/83/332619583.db2.gz OGGUPQZABLBTDF-UHFFFAOYSA-N -1 3 313.382 3.802 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(OC)ccc2Cl)c([O-])c1 ZINC000526052074 332671312 /nfs/dbraw/zinc/67/13/12/332671312.db2.gz HHTXAAHTUIKZGX-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM C[C@@H]1COCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000570349283 332743231 /nfs/dbraw/zinc/74/32/31/332743231.db2.gz OGXKPCGRJNEEBF-NEPJUHHUSA-N -1 3 310.353 3.735 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cc3ccccc3s2)s1 ZINC000022746537 335115004 /nfs/dbraw/zinc/11/50/04/335115004.db2.gz FLKCWZUZTONTIH-UHFFFAOYSA-N -1 3 303.412 3.958 20 0 DHADHM Cc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000178914173 333021996 /nfs/dbraw/zinc/02/19/96/333021996.db2.gz SVHFNPJDJXTVIP-UHFFFAOYSA-N -1 3 311.356 3.769 20 0 DHADHM C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])cc1Cl ZINC000181832231 333114702 /nfs/dbraw/zinc/11/47/02/333114702.db2.gz VJNXFWTVWWYQBE-LLVKDONJSA-N -1 3 301.773 3.566 20 0 DHADHM CSc1ccc(C)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000343336658 335122267 /nfs/dbraw/zinc/12/22/67/335122267.db2.gz LMHTYPZVUMHRRM-UHFFFAOYSA-N -1 3 324.405 3.811 20 0 DHADHM CSc1ccc(C)c(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000343336658 335122268 /nfs/dbraw/zinc/12/22/68/335122268.db2.gz LMHTYPZVUMHRRM-UHFFFAOYSA-N -1 3 324.405 3.811 20 0 DHADHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc(CC(F)(F)F)c1 ZINC000182060635 333149053 /nfs/dbraw/zinc/14/90/53/333149053.db2.gz SOCHVALPYUNNSW-SNAWJCMRSA-N -1 3 322.286 3.544 20 0 DHADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(Cl)c1 ZINC000187836899 333150673 /nfs/dbraw/zinc/15/06/73/333150673.db2.gz BDCDZGBDKRJVDZ-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000183022476 333161292 /nfs/dbraw/zinc/16/12/92/333161292.db2.gz RCKSESBHNLITFF-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM Cc1cc(C)cc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000107270985 333166678 /nfs/dbraw/zinc/16/66/78/333166678.db2.gz QJFDTFJMCSREGG-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM CC1CCC(OC2CCN(Cc3occc3C(=O)[O-])CC2)CC1 ZINC000582067873 333196964 /nfs/dbraw/zinc/19/69/64/333196964.db2.gz NEOUWSHBJYASLA-UHFFFAOYSA-N -1 3 321.417 3.538 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc(F)cc2F)no1 ZINC000184618263 333199181 /nfs/dbraw/zinc/19/91/81/333199181.db2.gz IAVNDQMZHCLSOD-UHFFFAOYSA-N -1 3 310.300 3.520 20 0 DHADHM CCc1cc(C(=O)N2CCCc3c(OC)cccc32)ccc1[O-] ZINC000497511546 333257708 /nfs/dbraw/zinc/25/77/08/333257708.db2.gz QJGAXWGGPLCZSZ-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM C[C@H](c1ccccc1F)N(C)CCc1ccccc1C(=O)[O-] ZINC000388343816 333275922 /nfs/dbraw/zinc/27/59/22/333275922.db2.gz HPKIIKNDFHQSID-CYBMUJFWSA-N -1 3 301.361 3.759 20 0 DHADHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000497772599 333289231 /nfs/dbraw/zinc/28/92/31/333289231.db2.gz JPNVLCCLWQGTAA-UHFFFAOYSA-N -1 3 322.257 3.995 20 0 DHADHM COc1ccc(OC(F)F)c(NCc2cc([O-])cc(F)c2)c1 ZINC000184137453 333342345 /nfs/dbraw/zinc/34/23/45/333342345.db2.gz MIDCAAYDVUKHHU-UHFFFAOYSA-N -1 3 313.275 3.753 20 0 DHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531372810 333346825 /nfs/dbraw/zinc/34/68/25/333346825.db2.gz JNIKDXRZDROPAU-GHJWDPDVSA-N -1 3 309.381 3.844 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(F)ccc1[O-] ZINC000531372813 333346873 /nfs/dbraw/zinc/34/68/73/333346873.db2.gz JNIKDXRZDROPAU-RBOXIYTFSA-N -1 3 309.381 3.844 20 0 DHADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(F)ccc1[O-] ZINC000531374028 333346963 /nfs/dbraw/zinc/34/69/63/333346963.db2.gz XSCGGPZMENYSKV-NSHDSACASA-N -1 3 305.324 3.878 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC(C)(CC(C)C)CC2)c1 ZINC000583472665 333361265 /nfs/dbraw/zinc/36/12/65/333361265.db2.gz VWNFZDGJLRWLJF-UHFFFAOYSA-N -1 3 305.418 3.689 20 0 DHADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1F ZINC000186609944 333375342 /nfs/dbraw/zinc/37/53/42/333375342.db2.gz LTBKLOUYZLWFGN-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1F ZINC000186609944 333375344 /nfs/dbraw/zinc/37/53/44/333375344.db2.gz LTBKLOUYZLWFGN-UHFFFAOYSA-N -1 3 301.346 3.838 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(F)cc1F ZINC000365582642 333410497 /nfs/dbraw/zinc/41/04/97/333410497.db2.gz WFODMEDBRFJQEU-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM CC[C@@H](CN(CC)C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000187408348 333449701 /nfs/dbraw/zinc/44/97/01/333449701.db2.gz BFKULXRKUXMAJP-AWEZNQCLSA-N -1 3 313.397 3.754 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(Cc2ccccc2)n1 ZINC000338175767 333474498 /nfs/dbraw/zinc/47/44/98/333474498.db2.gz PZDGIEFEQISAIC-UHFFFAOYSA-N -1 3 313.382 3.591 20 0 DHADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(C(F)F)CC1 ZINC000338848040 333499505 /nfs/dbraw/zinc/49/95/05/333499505.db2.gz ZEZRCLGRPOPWAY-UHFFFAOYSA-N -1 3 323.261 3.528 20 0 DHADHM C[C@@H]1CC[C@](CNCc2c(F)cccc2Cl)(CC(=O)[O-])C1 ZINC000426641860 333511119 /nfs/dbraw/zinc/51/11/19/333511119.db2.gz CENXPPNIBKCGGA-BDJLRTHQSA-N -1 3 313.800 3.850 20 0 DHADHM Cc1cccc([C@@H]2CCCCN2C(=O)Cc2cncc([O-])c2)c1C ZINC000563412872 333603988 /nfs/dbraw/zinc/60/39/88/333603988.db2.gz VODOFTPTWUCZBW-IBGZPJMESA-N -1 3 324.424 3.700 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1[O-] ZINC000411412331 333666313 /nfs/dbraw/zinc/66/63/13/333666313.db2.gz HTVLPJZWOAZFOS-OAHLLOKOSA-N -1 3 315.394 3.634 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)C2CCC(C)(C)CC2)cc1[O-] ZINC000412180602 333737125 /nfs/dbraw/zinc/73/71/25/333737125.db2.gz ZZBYBVIFGYNDNJ-UHFFFAOYSA-N -1 3 303.402 3.636 20 0 DHADHM CCCCC[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412200518 333738556 /nfs/dbraw/zinc/73/85/56/333738556.db2.gz HUNILUIPJLBAKG-OAHLLOKOSA-N -1 3 303.402 3.780 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)ccc1[O-] ZINC000571428026 333789238 /nfs/dbraw/zinc/78/92/38/333789238.db2.gz NAWKCCGXHLLDDJ-NSHDSACASA-N -1 3 317.360 3.593 20 0 DHADHM Cc1ncc(CN[C@H](Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000343373274 335160112 /nfs/dbraw/zinc/16/01/12/335160112.db2.gz AMOGANJDFLTMKL-LJQANCHMSA-N -1 3 319.408 3.564 20 0 DHADHM CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000366827924 335163804 /nfs/dbraw/zinc/16/38/04/335163804.db2.gz OFWLCCJWKNERAC-ZFWWWQNUSA-N -1 3 316.426 3.565 20 0 DHADHM COc1ccc2c(c1)CCCCN2C(=O)c1cccc(C)c1[O-] ZINC000436861411 334010375 /nfs/dbraw/zinc/01/03/75/334010375.db2.gz UJMPGHDJYJZPCA-UHFFFAOYSA-N -1 3 311.381 3.692 20 0 DHADHM Cc1oc(CN2CCC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000571648171 334015095 /nfs/dbraw/zinc/01/50/95/334015095.db2.gz DSBYNQCACWSCHM-MRXNPFEDSA-N -1 3 313.397 3.741 20 0 DHADHM Cc1cc(C(=O)NCc2cccc(OCC(C)C)c2)ccc1[O-] ZINC000436928560 334017652 /nfs/dbraw/zinc/01/76/52/334017652.db2.gz RMPGTZGCHYAKED-UHFFFAOYSA-N -1 3 313.397 3.665 20 0 DHADHM CC(C)c1ccc(C(=O)N(Cc2cccnc2)C2CC2)c([O-])c1 ZINC000271205726 334020116 /nfs/dbraw/zinc/02/01/16/334020116.db2.gz KFNLHWWJVRETFX-UHFFFAOYSA-N -1 3 310.397 3.715 20 0 DHADHM O=C([O-])C1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000414638932 334049450 /nfs/dbraw/zinc/04/94/50/334049450.db2.gz PCDPKDMAODRQFO-UHFFFAOYSA-N -1 3 321.323 3.521 20 0 DHADHM CC(C)N(C)c1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000414635402 334049534 /nfs/dbraw/zinc/04/95/34/334049534.db2.gz GPWTZYVDUOLRSQ-UHFFFAOYSA-N -1 3 312.413 3.519 20 0 DHADHM CN(CCCC(=O)[O-])Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000414644564 334052061 /nfs/dbraw/zinc/05/20/61/334052061.db2.gz ZZTNJIDKCIOMTE-UHFFFAOYSA-N -1 3 324.833 3.760 20 0 DHADHM CCSCC[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276549710 334081605 /nfs/dbraw/zinc/08/16/05/334081605.db2.gz HQHPTVVYZZHGKP-VIFPVBQESA-N -1 3 321.364 3.673 20 0 DHADHM CSCCON=C([O-])Nc1ccc2nc(C3CC3)sc2c1 ZINC000280690409 334119304 /nfs/dbraw/zinc/11/93/04/334119304.db2.gz ZKMHYCGTMYMJRX-UHFFFAOYSA-N -1 3 323.443 3.590 20 0 DHADHM CSCCO[N-]C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000280690409 334119305 /nfs/dbraw/zinc/11/93/05/334119305.db2.gz ZKMHYCGTMYMJRX-UHFFFAOYSA-N -1 3 323.443 3.590 20 0 DHADHM CSCCON=C([O-])Nc1cccnc1-c1csc(C)c1 ZINC000281022204 334122334 /nfs/dbraw/zinc/12/23/34/334122334.db2.gz MNQODEIHCZSICK-UHFFFAOYSA-N -1 3 323.443 3.535 20 0 DHADHM CSCCO[N-]C(=O)Nc1cccnc1-c1csc(C)c1 ZINC000281022204 334122335 /nfs/dbraw/zinc/12/23/35/334122335.db2.gz MNQODEIHCZSICK-UHFFFAOYSA-N -1 3 323.443 3.535 20 0 DHADHM CSCCON=C([O-])Nc1ncc(C2CCCCC2)s1 ZINC000281022122 334122470 /nfs/dbraw/zinc/12/24/70/334122470.db2.gz MMNGHOOYUWVSQD-UHFFFAOYSA-N -1 3 315.464 3.607 20 0 DHADHM CSCCO[N-]C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000281022122 334122471 /nfs/dbraw/zinc/12/24/71/334122471.db2.gz MMNGHOOYUWVSQD-UHFFFAOYSA-N -1 3 315.464 3.607 20 0 DHADHM C[C@@H](C[C@H](O)c1cccs1)NCc1cccc([O-])c1Cl ZINC000293156266 334196034 /nfs/dbraw/zinc/19/60/34/334196034.db2.gz FGELLPJAMMOXFC-GWCFXTLKSA-N -1 3 311.834 3.709 20 0 DHADHM Cc1cnc(C2CCN(Cc3c(F)ccc([O-])c3F)CC2)s1 ZINC000294657866 334212071 /nfs/dbraw/zinc/21/20/71/334212071.db2.gz LHTOCMSTIBUUMA-UHFFFAOYSA-N -1 3 324.396 3.815 20 0 DHADHM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000048447723 334290283 /nfs/dbraw/zinc/29/02/83/334290283.db2.gz YJYLYYCULHYFCV-NWDGAFQWSA-N -1 3 301.477 3.631 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(F)cc(F)c1 ZINC000302934152 334297684 /nfs/dbraw/zinc/29/76/84/334297684.db2.gz GZYAYXHIUPJHCF-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM Cn1cnc2cc(/C=C/c3ccc4cccc([O-])c4n3)ccc21 ZINC000534880692 334343075 /nfs/dbraw/zinc/34/30/75/334343075.db2.gz CCGWWJWYNTTWRX-VMPITWQZSA-N -1 3 301.349 3.998 20 0 DHADHM Cc1ccc(-c2nc(Cc3ccccc3Cl)no2)c([O-])c1 ZINC000111688931 334353805 /nfs/dbraw/zinc/35/38/05/334353805.db2.gz UBPZONYAHIJBMM-UHFFFAOYSA-N -1 3 300.745 3.995 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccnc(C2CC2)c1 ZINC000341612968 334461731 /nfs/dbraw/zinc/46/17/31/334461731.db2.gz RJSLKUCTQUYBKB-UHFFFAOYSA-N -1 3 322.286 3.936 20 0 DHADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ncccc1[O-] ZINC000341881904 334489423 /nfs/dbraw/zinc/48/94/23/334489423.db2.gz BOIDUGGQWYASAN-OAHLLOKOSA-N -1 3 314.385 3.707 20 0 DHADHM C[C@H](CC(=O)Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000341893355 334493022 /nfs/dbraw/zinc/49/30/22/334493022.db2.gz VITFALZZGFEWQL-SNVBAGLBSA-N -1 3 324.302 3.938 20 0 DHADHM O=C([N-]c1scnc1C1CC1)c1cc(-c2ccco2)on1 ZINC000342977956 334593073 /nfs/dbraw/zinc/59/30/73/334593073.db2.gz PWHXYUWHPVIGAL-UHFFFAOYSA-N -1 3 301.327 3.521 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CC(C)C)cc1[O-] ZINC000331349014 334857733 /nfs/dbraw/zinc/85/77/33/334857733.db2.gz NGIWNZNMBFQROF-HNNXBMFYSA-N -1 3 303.402 3.636 20 0 DHADHM C[C@H](CNC(=O)c1cccc([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189902735 334915763 /nfs/dbraw/zinc/91/57/63/334915763.db2.gz QLCKDGAMHNBMTI-LLVKDONJSA-N -1 3 323.314 3.945 20 0 DHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000343900231 335204448 /nfs/dbraw/zinc/20/44/48/335204448.db2.gz LREAJFZQWWYJTA-UHFFFAOYSA-N -1 3 311.316 3.939 20 0 DHADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000343900231 335204449 /nfs/dbraw/zinc/20/44/49/335204449.db2.gz LREAJFZQWWYJTA-UHFFFAOYSA-N -1 3 311.316 3.939 20 0 DHADHM Cc1ccccc1-c1cccc(CNCc2cnc(C)[n-]c2=O)c1 ZINC000344330814 335241199 /nfs/dbraw/zinc/24/11/99/335241199.db2.gz VXOFOYMKPABXLR-UHFFFAOYSA-N -1 3 319.408 3.756 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C)Cc2cccc3ccccc32)n1 ZINC000344356261 335243906 /nfs/dbraw/zinc/24/39/06/335243906.db2.gz SHOWLBTYAKSRPF-UHFFFAOYSA-N -1 3 307.397 3.530 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc(C)c(C)c2)C2CC2)n1 ZINC000344369299 335245029 /nfs/dbraw/zinc/24/50/29/335245029.db2.gz OXYKAUHAFVOOCA-UHFFFAOYSA-N -1 3 311.429 3.526 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2scc(C)c2C(=O)OC)on1 ZINC000344904371 335284395 /nfs/dbraw/zinc/28/43/95/335284395.db2.gz JVWRAZNNCGGPLG-MRVPVSSYSA-N -1 3 322.386 3.597 20 0 DHADHM CC(C)[C@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc21 ZINC000344991228 335289793 /nfs/dbraw/zinc/28/97/93/335289793.db2.gz XQQVWVSXRHHXSA-NVXWUHKLSA-N -1 3 320.396 3.572 20 0 DHADHM COc1cccc2c1n[n-]c2C(=O)Nc1cccc(SC)c1 ZINC000345121595 335303117 /nfs/dbraw/zinc/30/31/17/335303117.db2.gz GTGIENVJBNUZDW-UHFFFAOYSA-N -1 3 313.382 3.546 20 0 DHADHM COc1cccc2c(C(=O)Nc3cccc(SC)c3)n[n-]c21 ZINC000345121595 335303119 /nfs/dbraw/zinc/30/31/19/335303119.db2.gz GTGIENVJBNUZDW-UHFFFAOYSA-N -1 3 313.382 3.546 20 0 DHADHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cccc([O-])c2)c1 ZINC000345429737 335325559 /nfs/dbraw/zinc/32/55/59/335325559.db2.gz RNYNEQWXDWWLQS-FZKQIMNGSA-N -1 3 311.381 3.624 20 0 DHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc2n[n-]nc2c1 ZINC000345804135 335352248 /nfs/dbraw/zinc/35/22/48/335352248.db2.gz HUHSEPSVTKHXTM-QGZVFWFLSA-N -1 3 308.385 3.571 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)c1[O-] ZINC000371012620 335354327 /nfs/dbraw/zinc/35/43/27/335354327.db2.gz YMVXTVMYKMCSPH-STQMWFEESA-N -1 3 301.411 3.780 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3cccs3)o2)n1 ZINC000345926585 335361487 /nfs/dbraw/zinc/36/14/87/335361487.db2.gz LYGDLINNRRQZPT-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)n1 ZINC000345942586 335362853 /nfs/dbraw/zinc/36/28/53/335362853.db2.gz QGYMUODAQQXZQY-OAHLLOKOSA-N -1 3 314.385 3.591 20 0 DHADHM CC(=O)c1ccc(-c2nc(=O)c3cc(C)sc3[n-]2)c(F)c1 ZINC000346227707 335386339 /nfs/dbraw/zinc/38/63/39/335386339.db2.gz QJMBOFAFKNLTHN-UHFFFAOYSA-N -1 3 302.330 3.714 20 0 DHADHM Cc1ncc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)c(=O)[n-]1 ZINC000346785510 335440740 /nfs/dbraw/zinc/44/07/40/335440740.db2.gz CCXJFDKSCVUZDA-OAHLLOKOSA-N -1 3 323.799 3.770 20 0 DHADHM Cc1ncc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000346809388 335442638 /nfs/dbraw/zinc/44/26/38/335442638.db2.gz PMDJLBVHXAXSPJ-SFHVURJKSA-N -1 3 323.371 3.509 20 0 DHADHM Cc1ccc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c([O-])c1 ZINC000347953757 335536590 /nfs/dbraw/zinc/53/65/90/335536590.db2.gz LDACHOKAGHOIJY-UHFFFAOYSA-N -1 3 308.337 3.515 20 0 DHADHM COc1ccc(NC(=O)c2ccc3cc(C)ccc3n2)c([O-])c1 ZINC000349208376 335645790 /nfs/dbraw/zinc/64/57/90/335645790.db2.gz MBZOLQSYGXAFSU-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000094102451 335716069 /nfs/dbraw/zinc/71/60/69/335716069.db2.gz PGAULOYFWKOWGO-MRXNPFEDSA-N -1 3 311.381 3.687 20 0 DHADHM CCCCCc1nnc([N-]C(=O)c2occ3c2CCC3)s1 ZINC000350653636 335769929 /nfs/dbraw/zinc/76/99/29/335769929.db2.gz FSCVXFPNMUSSBH-UHFFFAOYSA-N -1 3 305.403 3.605 20 0 DHADHM Cc1cccc2nc(C(F)(F)c3ccc(F)cc3)[n-]c(=O)c12 ZINC000519208328 335815573 /nfs/dbraw/zinc/81/55/73/335815573.db2.gz JRJLMWWSEKLIIK-UHFFFAOYSA-N -1 3 304.271 3.923 20 0 DHADHM CC(C)c1cc(C(=O)NCC2CCOCC2)c([O-])c(C(C)C)c1 ZINC000536686406 335865513 /nfs/dbraw/zinc/86/55/13/335865513.db2.gz KGPDDJVABUIZLT-UHFFFAOYSA-N -1 3 319.445 3.795 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)c([O-])c1 ZINC000519777413 335895718 /nfs/dbraw/zinc/89/57/18/335895718.db2.gz TWDCMORJVFNNMU-LJQANCHMSA-N -1 3 313.372 3.666 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H](c3nccs3)C2)c1F ZINC000351004114 336004100 /nfs/dbraw/zinc/00/41/00/336004100.db2.gz XBOVJRNXWJOVGZ-JTQLQIEISA-N -1 3 310.369 3.507 20 0 DHADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccsc1 ZINC000351394487 336031931 /nfs/dbraw/zinc/03/19/31/336031931.db2.gz FIFAJKZYFZEDBF-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2cccc([O-])c2Cl)C12CCC2 ZINC000351778142 336068414 /nfs/dbraw/zinc/06/84/14/336068414.db2.gz HIOHJEVLEIZWSM-LSDHHAIUSA-N -1 3 309.837 3.825 20 0 DHADHM CC(=O)Nc1cccc(NCc2c(F)ccc([O-])c2F)c1C ZINC000351826526 336070743 /nfs/dbraw/zinc/07/07/43/336070743.db2.gz LCBCOHIREAHDJE-UHFFFAOYSA-N -1 3 306.312 3.549 20 0 DHADHM COc1ccc(NC(=O)[C@@H]2CCCc3sccc32)c([O-])c1 ZINC000331789409 336148582 /nfs/dbraw/zinc/14/85/82/336148582.db2.gz JTPBSGSCCACVOK-GFCCVEGCSA-N -1 3 303.383 3.521 20 0 DHADHM CC1(C)CCCc2sc([N-]C(=O)c3ncc(F)cc3F)nc21 ZINC000332214373 336163077 /nfs/dbraw/zinc/16/30/77/336163077.db2.gz KIXIKMWZJMAELV-UHFFFAOYSA-N -1 3 323.368 3.683 20 0 DHADHM COc1ccc(NC(=O)[C@]2(C)CCCc3ccccc32)c([O-])c1 ZINC000332369168 336169956 /nfs/dbraw/zinc/16/99/56/336169956.db2.gz QKSKYEFUHLFERH-LJQANCHMSA-N -1 3 311.381 3.634 20 0 DHADHM COc1ccc(NC(=O)c2coc(C3CCCCC3)n2)c([O-])c1 ZINC000332603711 336175910 /nfs/dbraw/zinc/17/59/10/336175910.db2.gz ACFZLRQITVQBLM-UHFFFAOYSA-N -1 3 316.357 3.689 20 0 DHADHM O=c1cc(C=Cc2cnc(-c3ccco3)s2)nc(C2CC2)[n-]1 ZINC000352009132 336188188 /nfs/dbraw/zinc/18/81/88/336188188.db2.gz UWKHZLZODPXZFG-WAYWQWQTSA-N -1 3 311.366 3.947 20 0 DHADHM COCCN(Cc1cc([O-])cc(F)c1)[C@H](C)c1ccccc1 ZINC000352011584 336188694 /nfs/dbraw/zinc/18/86/94/336188694.db2.gz SRYCWKLGSONEFB-CQSZACIVSA-N -1 3 303.377 3.741 20 0 DHADHM O=c1cc(C=Cc2nc3ccc(F)cc3s2)nc(C2CC2)[n-]1 ZINC000352022140 336189741 /nfs/dbraw/zinc/18/97/41/336189741.db2.gz VOFJGYALWGVFHR-XQRVVYSFSA-N -1 3 313.357 3.979 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(-c3ccncc3)cc2F)n1 ZINC000352034975 336190981 /nfs/dbraw/zinc/19/09/81/336190981.db2.gz KHLXIRZXBDNSIQ-SNAWJCMRSA-N -1 3 307.328 3.862 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc2c(ccc3ccccc23)[nH]1 ZINC000352039169 336191297 /nfs/dbraw/zinc/19/12/97/336191297.db2.gz CUPPTCGKJNMDDI-UHFFFAOYSA-N -1 3 303.321 3.674 20 0 DHADHM O=c1nc(-c2ccsn2)[n-]c2sc3c(c21)CCCCC3 ZINC000333123174 336198464 /nfs/dbraw/zinc/19/84/64/336198464.db2.gz GWMUHLKPZGTAGR-UHFFFAOYSA-N -1 3 303.412 3.789 20 0 DHADHM O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000039086507 336199273 /nfs/dbraw/zinc/19/92/73/336199273.db2.gz XXZWISIDFQDMJT-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM [O-]c1ccc(F)c(CNCc2coc(-c3cccs3)n2)c1F ZINC000352250536 336206832 /nfs/dbraw/zinc/20/68/32/336206832.db2.gz IPEGJYIMXSMTIF-UHFFFAOYSA-N -1 3 322.336 3.677 20 0 DHADHM CC(C)[C@@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000333639160 336207621 /nfs/dbraw/zinc/20/76/21/336207621.db2.gz SBZLTEQUNMURRW-INIZCTEOSA-N -1 3 320.408 3.642 20 0 DHADHM CC[C@H]1CC[C@H](C(=O)[N-]c2onc(C3CCCCC3)c2C)O1 ZINC000333913492 336212267 /nfs/dbraw/zinc/21/22/67/336212267.db2.gz YGLAECLAAIIVAC-UONOGXRCSA-N -1 3 306.406 3.927 20 0 DHADHM CN(C(=O)c1c[n-]nc1-c1ccccc1)c1ccc2cc[nH]c2c1 ZINC000352434674 336218458 /nfs/dbraw/zinc/21/84/58/336218458.db2.gz ZISMIOANYPAWSF-UHFFFAOYSA-N -1 3 316.364 3.835 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc4cc[nH]c4c3)n[n-]2)o1 ZINC000352437516 336218644 /nfs/dbraw/zinc/21/86/44/336218644.db2.gz GRWNMUUILWPRCM-UHFFFAOYSA-N -1 3 320.352 3.736 20 0 DHADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccc4cc[nH]c4c3)[n-]n2)o1 ZINC000352437516 336218645 /nfs/dbraw/zinc/21/86/45/336218645.db2.gz GRWNMUUILWPRCM-UHFFFAOYSA-N -1 3 320.352 3.736 20 0 DHADHM COc1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)c([O-])c1 ZINC000029846914 336226120 /nfs/dbraw/zinc/22/61/20/336226120.db2.gz ZAWOMAAHKGEKFO-SNVBAGLBSA-N -1 3 305.399 3.570 20 0 DHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2[O-])c1C(C)C ZINC000352642943 336228169 /nfs/dbraw/zinc/22/81/69/336228169.db2.gz HHADHIKUEGXUHA-UHFFFAOYSA-N -1 3 314.385 3.915 20 0 DHADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])cnn1CCC(C)C ZINC000352647021 336228549 /nfs/dbraw/zinc/22/85/49/336228549.db2.gz XAFPFXZZQUQBMC-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM CC(C)(C)Oc1cccc(CNCc2c(F)ccc([O-])c2F)n1 ZINC000352728591 336232692 /nfs/dbraw/zinc/23/26/92/336232692.db2.gz ZQPNBOGJHDSIBL-UHFFFAOYSA-N -1 3 322.355 3.533 20 0 DHADHM COc1cccc(C(=O)N[C@@H](C)c2ccccc2Cl)c1[O-] ZINC000042253115 336238022 /nfs/dbraw/zinc/23/80/22/336238022.db2.gz BCWGQGQKYNFFPZ-JTQLQIEISA-N -1 3 305.761 3.545 20 0 DHADHM C[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1cccc1 ZINC000532382262 336244532 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Cc1ccc(-c2noc([N-]Cc3cn4cccc(C)c4n3)n2)cc1 ZINC000302076147 336347131 /nfs/dbraw/zinc/34/71/31/336347131.db2.gz WHQFNNROYNXQSI-UHFFFAOYSA-N -1 3 319.368 3.613 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cccnc2OC(C)C)c1[O-] ZINC000353804173 336441245 /nfs/dbraw/zinc/44/12/45/336441245.db2.gz RQWVPNQAHVYXEL-UHFFFAOYSA-N -1 3 320.776 3.789 20 0 DHADHM Cc1noc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C ZINC000354528868 336473904 /nfs/dbraw/zinc/47/39/04/336473904.db2.gz STWVVAMXAKCCLJ-UHFFFAOYSA-N -1 3 320.217 3.841 20 0 DHADHM COCc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000355419141 336508264 /nfs/dbraw/zinc/50/82/64/336508264.db2.gz LTCGBTPCALNDIR-UHFFFAOYSA-N -1 3 320.414 3.545 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CC(=O)c3ccccc32)c1[O-] ZINC000356385241 336548089 /nfs/dbraw/zinc/54/80/89/336548089.db2.gz GAYSJHJSMAWCMJ-ZDUSSCGKSA-N -1 3 315.756 3.663 20 0 DHADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(C(F)(F)F)cs2)on1 ZINC000356536211 336553850 /nfs/dbraw/zinc/55/38/50/336553850.db2.gz YLOMULGNZVYIIR-ZCFIWIBFSA-N -1 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/nfs/dbraw/zinc/84/54/06/336845406.db2.gz UMVCQMOMGDATDL-IUODEOHRSA-N -1 3 312.417 3.574 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC(Nc3ccccc3C)CC2)c1 ZINC000368874969 336854315 /nfs/dbraw/zinc/85/43/15/336854315.db2.gz ITZFWIJIFCEJSD-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM CC[C@H](C)CCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000370579702 336887923 /nfs/dbraw/zinc/88/79/23/336887923.db2.gz MQSJYXYISXCYRH-LBPRGKRZSA-N -1 3 313.401 3.922 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC4(CCC4)C[C@@H]3C)nc2)n1 ZINC000373037011 336946332 /nfs/dbraw/zinc/94/63/32/336946332.db2.gz NYQRMKVMHXEYRG-ZDUSSCGKSA-N -1 3 324.428 3.576 20 0 DHADHM c1[n-]nc(-c2cc3ccccc3o2)c1-c1nc([C@H]2CCCO2)no1 ZINC000373066566 336947069 /nfs/dbraw/zinc/94/70/69/336947069.db2.gz SHWHJOXYUBKIGZ-CYBMUJFWSA-N -1 3 322.324 3.724 20 0 DHADHM Cc1ccc([C@@H]2CCCN2[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000375759136 337018863 /nfs/dbraw/zinc/01/88/63/337018863.db2.gz WSKIVDNRDKMIGP-STQMWFEESA-N -1 3 303.431 3.759 20 0 DHADHM 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/nfs/dbraw/zinc/19/12/94/337191294.db2.gz HEJWDGXUPVZBAV-UHFFFAOYSA-N -1 3 310.275 3.675 20 0 DHADHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000183460204 337191888 /nfs/dbraw/zinc/19/18/88/337191888.db2.gz ZSVQUXDSIOZELT-GXSJLCMTSA-N -1 3 317.307 3.555 20 0 DHADHM O=C(CCSc1ccccc1F)Nc1ccc([O-])cc1F ZINC000183251774 337192629 /nfs/dbraw/zinc/19/26/29/337192629.db2.gz DJCWSFZQNWSWMN-UHFFFAOYSA-N -1 3 309.337 3.791 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000183273392 337192791 /nfs/dbraw/zinc/19/27/91/337192791.db2.gz LLLWMYGJWFUFLC-GHMZBOCLSA-N -1 3 307.271 3.552 20 0 DHADHM O=[S@](Cc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1 ZINC000184077066 337195979 /nfs/dbraw/zinc/19/59/79/337195979.db2.gz PBSPLEXOOBMUBB-HXUWFJFHSA-N -1 3 300.301 3.719 20 0 DHADHM CCOc1cc(CN2CCSC[C@H](C)C2)cc(Cl)c1[O-] ZINC000459512067 337202774 /nfs/dbraw/zinc/20/27/74/337202774.db2.gz QRONDCRCCPYGLB-LLVKDONJSA-N -1 3 315.866 3.629 20 0 DHADHM CCOc1ncccc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000185114579 337203238 /nfs/dbraw/zinc/20/32/38/337203238.db2.gz SMTOUKHJTJCYIU-UHFFFAOYSA-N -1 3 323.352 3.696 20 0 DHADHM CCOc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000582955984 337218232 /nfs/dbraw/zinc/21/82/32/337218232.db2.gz MTMREMOYLCSVHZ-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000186165207 337254101 /nfs/dbraw/zinc/25/41/01/337254101.db2.gz YWHCMECCGWLPEE-INIZCTEOSA-N -1 3 321.417 3.774 20 0 DHADHM O=C(Nc1cccc2[nH]cnc21)c1cc([O-])ccc1C(F)(F)F ZINC000189059209 337276587 /nfs/dbraw/zinc/27/65/87/337276587.db2.gz OBXXJJULGXTSPB-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccc(F)c(Br)c1 ZINC000231659234 337277732 /nfs/dbraw/zinc/27/77/32/337277732.db2.gz RILNOAJDDYSOSF-UHFFFAOYSA-N -1 3 310.122 3.546 20 0 DHADHM CN(C)c1cccc(CCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000525928934 337278551 /nfs/dbraw/zinc/27/85/51/337278551.db2.gz MBDSBEAKHANKPB-UHFFFAOYSA-N -1 3 318.804 3.683 20 0 DHADHM C[C@H]1CCCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000583269229 337297698 /nfs/dbraw/zinc/29/76/98/337297698.db2.gz ZPJWROLOPYAOOD-ZDUSSCGKSA-N -1 3 314.385 3.662 20 0 DHADHM Cc1cccc2cc(C(=O)NCc3ccc([O-])c(F)c3)sc21 ZINC000583329142 337312430 /nfs/dbraw/zinc/31/24/30/337312430.db2.gz BENFTCREIHSRAV-UHFFFAOYSA-N -1 3 315.369 3.984 20 0 DHADHM Cc1sc(C(=O)[O-])cc1CN(CCC(F)(F)F)CC1CC1 ZINC000583758279 337330519 /nfs/dbraw/zinc/33/05/19/337330519.db2.gz BWYCODOYODKNET-UHFFFAOYSA-N -1 3 321.364 3.919 20 0 DHADHM Cn1c2ccc(Cl)cc2nc1SCc1ncccc1[O-] ZINC000583850285 337342031 /nfs/dbraw/zinc/34/20/31/337342031.db2.gz BLQWZRNYHCAJSQ-UHFFFAOYSA-N -1 3 305.790 3.620 20 0 DHADHM [O-]c1cccnc1CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000583899553 337384711 /nfs/dbraw/zinc/38/47/11/337384711.db2.gz VZEUSWTZYNTXTL-SFHVURJKSA-N -1 3 318.367 3.849 20 0 DHADHM O=C(c1ccccc1[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000110482679 337389049 /nfs/dbraw/zinc/38/90/49/337389049.db2.gz NMHZTOGCDHQNEB-ZDUSSCGKSA-N -1 3 301.773 3.675 20 0 DHADHM CCc1ncsc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000123542220 337399842 /nfs/dbraw/zinc/39/98/42/337399842.db2.gz FQSZDNICXJMSLI-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM O=c1cc(CN[C@H](CC(F)F)c2ccccc2)nc(C2CC2)[n-]1 ZINC000420991620 337518003 /nfs/dbraw/zinc/51/80/03/337518003.db2.gz JCFSEAUVAFILES-CQSZACIVSA-N -1 3 319.355 3.546 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](C2CCCC2)C1 ZINC000421953806 337662349 /nfs/dbraw/zinc/66/23/49/337662349.db2.gz UHGCKJZWDXFZCR-MRXNPFEDSA-N -1 3 319.420 3.893 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@@]23CCOC3)c([O-])c(C(C)C)c1 ZINC000422088421 337669700 /nfs/dbraw/zinc/66/97/00/337669700.db2.gz LTEUHQIXTFCXHJ-IBGZPJMESA-N -1 3 317.429 3.644 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cccc3c2CCCN3)c2c([O-])cccc21 ZINC000423888461 337729135 /nfs/dbraw/zinc/72/91/35/337729135.db2.gz IHEAONZUIHEAPY-CYBMUJFWSA-N -1 3 322.408 3.904 20 0 DHADHM CNc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000423897713 337729405 /nfs/dbraw/zinc/72/94/05/337729405.db2.gz WGGRNQWEPNAOGH-JTQLQIEISA-N -1 3 302.399 3.649 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3cccc(N)c3)CC2)c1 ZINC000424030759 337730496 /nfs/dbraw/zinc/73/04/96/337730496.db2.gz GGXLLTUECDDJBG-UHFFFAOYSA-N -1 3 324.424 3.557 20 0 DHADHM O=C(C[C@H]1C=CCCC1)Nc1ccc(Br)cc1[O-] ZINC000548627319 337791996 /nfs/dbraw/zinc/79/19/96/337791996.db2.gz AMXBKDWVYSABDE-JTQLQIEISA-N -1 3 310.191 3.840 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC000105591114 337809243 /nfs/dbraw/zinc/80/92/43/337809243.db2.gz KIHZNLLABKDGBJ-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM COc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)ccc1C ZINC000533176864 337832336 /nfs/dbraw/zinc/83/23/36/337832336.db2.gz DTHPOFDVOYSTEL-UHFFFAOYSA-N -1 3 300.745 3.973 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)o1 ZINC000536894252 337845188 /nfs/dbraw/zinc/84/51/88/337845188.db2.gz SMLAINFZFKKZSS-LBPRGKRZSA-N -1 3 313.444 3.715 20 0 DHADHM O=C(C[C@H]1CCOc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000117971377 337849761 /nfs/dbraw/zinc/84/97/61/337849761.db2.gz KPTJSAQTFFGYHC-LLVKDONJSA-N -1 3 317.772 3.941 20 0 DHADHM COc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000121101510 337885754 /nfs/dbraw/zinc/88/57/54/337885754.db2.gz PQKFCDINLJHCFY-SFHVURJKSA-N -1 3 323.392 3.693 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](CC)C(C)(C)c2ccccc2)n1 ZINC000537224609 337926291 /nfs/dbraw/zinc/92/62/91/337926291.db2.gz NAMDOLMMDNIPQC-MRXNPFEDSA-N -1 3 313.445 3.591 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000424629129 337928062 /nfs/dbraw/zinc/92/80/62/337928062.db2.gz XIPHTHYVNVXQCE-WBMJQRKESA-N -1 3 318.442 3.645 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCc3ccccc32)c1Br ZINC000315065089 337980369 /nfs/dbraw/zinc/98/03/69/337980369.db2.gz VQKRGZHQZZBILS-CQSZACIVSA-N -1 3 318.214 3.932 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C ZINC000515406933 337988169 /nfs/dbraw/zinc/98/81/69/337988169.db2.gz PYMLXUQZICZLQV-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426541952 338034362 /nfs/dbraw/zinc/03/43/62/338034362.db2.gz SQESYMQGPWKRRA-NSHDSACASA-N -1 3 307.802 3.833 20 0 DHADHM COC(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)no2)[n-]1 ZINC000426619491 338036107 /nfs/dbraw/zinc/03/61/07/338036107.db2.gz LEZCBCNAWRFFHO-UHFFFAOYSA-N -1 3 319.320 3.672 20 0 DHADHM COc1cc(Cl)c(CNCCC[C@@H](C)C(=O)[O-])cc1Cl ZINC000426649828 338037020 /nfs/dbraw/zinc/03/70/20/338037020.db2.gz YFRWCFPBLXYQNS-SECBINFHSA-N -1 3 320.216 3.593 20 0 DHADHM C[C@H](CCCCC(=O)[O-])NCc1sccc1Br ZINC000426663702 338037489 /nfs/dbraw/zinc/03/74/89/338037489.db2.gz BFJFHMLDJCFPAU-SECBINFHSA-N -1 3 320.252 3.634 20 0 DHADHM O=C([O-])c1cccc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000426698058 338038355 /nfs/dbraw/zinc/03/83/55/338038355.db2.gz WVZFLDUNZWTTTK-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM CCc1ccc(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000426696756 338038369 /nfs/dbraw/zinc/03/83/69/338038369.db2.gz QCFPWIAUTHIAOH-CYBMUJFWSA-N -1 3 321.804 3.529 20 0 DHADHM O=C([O-])[C@@H](CNCc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000426708573 338038684 /nfs/dbraw/zinc/03/86/84/338038684.db2.gz KYKQGJWQXPCYEG-CQSZACIVSA-N -1 3 321.779 3.512 20 0 DHADHM Cc1ccc([C@H](NCc2cc3c(cccc3F)[nH]2)C(=O)[O-])cc1 ZINC000426706808 338038726 /nfs/dbraw/zinc/03/87/26/338038726.db2.gz XERDZETULVJFSQ-KRWDZBQOSA-N -1 3 312.344 3.531 20 0 DHADHM Cc1ccc([C@@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])cc1 ZINC000426711912 338038904 /nfs/dbraw/zinc/03/89/04/338038904.db2.gz STHPKWKVUFLRJY-OAHLLOKOSA-N -1 3 321.323 3.512 20 0 DHADHM CCC[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426715350 338038944 /nfs/dbraw/zinc/03/89/44/338038944.db2.gz QWYAAWORSCIBTB-KRWDZBQOSA-N -1 3 301.361 3.836 20 0 DHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000426723721 338039319 /nfs/dbraw/zinc/03/93/19/338039319.db2.gz NHTNWQNEIVVRED-SFHVURJKSA-N -1 3 313.397 3.618 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000426729694 338039534 /nfs/dbraw/zinc/03/95/34/338039534.db2.gz GAFAPNKICAAROZ-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1nc(-c2ccccc2)cs1 ZINC000426730725 338039751 /nfs/dbraw/zinc/03/97/51/338039751.db2.gz LZQJSPHPWHZQLW-YOEHRIQHSA-N -1 3 316.426 3.543 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1csc(-c2ccsc2)n1 ZINC000426735798 338039982 /nfs/dbraw/zinc/03/99/82/338039982.db2.gz VMHVZMCKINGHCD-IUODEOHRSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000426744934 338040347 /nfs/dbraw/zinc/04/03/47/338040347.db2.gz YNTUUNFSTOYPIV-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000426746769 338040504 /nfs/dbraw/zinc/04/05/04/338040504.db2.gz ZSTFEJOFQKXHHR-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000431847010 338140082 /nfs/dbraw/zinc/14/00/82/338140082.db2.gz UOZIMCRXNWSFPV-MEDUHNTESA-N -1 3 301.773 3.879 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2cc[nH]n2)s1 ZINC000431925222 338141960 /nfs/dbraw/zinc/14/19/60/338141960.db2.gz JLLUHAPRMSYJDQ-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM C[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)c2c([O-])cccc21 ZINC000432150665 338147230 /nfs/dbraw/zinc/14/72/30/338147230.db2.gz NRKHBWLFZABNDQ-CYBMUJFWSA-N -1 3 307.393 3.647 20 0 DHADHM COC(=O)c1cnc(SCCc2ccc3ccccc3c2)[n-]1 ZINC000432671662 338162152 /nfs/dbraw/zinc/16/21/52/338162152.db2.gz QRAOOYHSEIDOFC-UHFFFAOYSA-N -1 3 312.394 3.684 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])NCCC(F)(F)F ZINC000449993845 338195421 /nfs/dbraw/zinc/19/54/21/338195421.db2.gz FGNTYOHSJYSWOX-UHFFFAOYSA-N -1 3 311.303 3.547 20 0 DHADHM O=S(=O)([N-]C1CCCC1)c1cc2cc(Cl)ccc2s1 ZINC000433661448 338199324 /nfs/dbraw/zinc/19/93/24/338199324.db2.gz VAORUWYEEYNHPE-UHFFFAOYSA-N -1 3 315.847 3.776 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=CC2=Cc3ccccc3OC2)CC)n1 ZINC000435335188 338237079 /nfs/dbraw/zinc/23/70/79/338237079.db2.gz GEBPLPVZLYYBST-XNTDXEJSSA-N -1 3 322.408 3.992 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(COC)cc2)CC)n1 ZINC000435341106 338237571 /nfs/dbraw/zinc/23/75/71/338237571.db2.gz SRCAPSATXLCOSN-LFIBNONCSA-N -1 3 312.413 3.819 20 0 DHADHM COc1cccc(C)c1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000435721773 338246104 /nfs/dbraw/zinc/24/61/04/338246104.db2.gz KAXOEXKQIAPWPL-CQSZACIVSA-N -1 3 319.426 3.549 20 0 DHADHM Cc1ccc2nc(-c3nc(-c4ccc([O-])cc4)no3)ccc2c1 ZINC000436512971 338274738 /nfs/dbraw/zinc/27/47/38/338274738.db2.gz KUAUJAQTXFCCPY-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc2ccccc2cc1[O-] ZINC000436519817 338274880 /nfs/dbraw/zinc/27/48/80/338274880.db2.gz YUSPWHZUKOZDMR-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM CCOc1cc(-c2noc(CC(C)(C)C3CC3)n2)ccc1[O-] ZINC000436522706 338274996 /nfs/dbraw/zinc/27/49/96/338274996.db2.gz WXTHMUIPRMPVBA-UHFFFAOYSA-N -1 3 302.374 3.820 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000436530333 338275268 /nfs/dbraw/zinc/27/52/68/338275268.db2.gz DQLDHJIGSAUSIY-QWHCGFSZSA-N -1 3 314.291 3.992 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC2(CC2)c2ccccc21 ZINC000436528800 338275361 /nfs/dbraw/zinc/27/53/61/338275361.db2.gz MLHZRYXWRCAZAU-UHFFFAOYSA-N -1 3 319.404 3.963 20 0 DHADHM [O-]c1ccc(-c2noc(COC/C=C\c3ccccc3)n2)cc1 ZINC000436532483 338275536 /nfs/dbraw/zinc/27/55/36/338275536.db2.gz JYQYERKMAGKOLW-DAXSKMNVSA-N -1 3 308.337 3.672 20 0 DHADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1 ZINC000436535284 338275646 /nfs/dbraw/zinc/27/56/46/338275646.db2.gz RREBTPPTRHWOLJ-GXTWGEPZSA-N -1 3 314.291 3.992 20 0 DHADHM Cc1cccc(C(=O)NCc2ccc(-c3ccncc3)cc2)c1[O-] ZINC000436537965 338275883 /nfs/dbraw/zinc/27/58/83/338275883.db2.gz QBWQFFKKVKWKMN-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000436536898 338275917 /nfs/dbraw/zinc/27/59/17/338275917.db2.gz WCMXNGSRGAILAR-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c([O-])c1 ZINC000436537276 338276001 /nfs/dbraw/zinc/27/60/01/338276001.db2.gz DOQRBUPKWMJCQT-HNNXBMFYSA-N -1 3 317.429 3.976 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc3scnc3c2)c1[O-] ZINC000436542971 338276322 /nfs/dbraw/zinc/27/63/22/338276322.db2.gz JNAPLUOJRJFUEZ-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1ccnc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)n1 ZINC000436547692 338276425 /nfs/dbraw/zinc/27/64/25/338276425.db2.gz ANBXICBFSFDUQB-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1[O-] ZINC000436546409 338276438 /nfs/dbraw/zinc/27/64/38/338276438.db2.gz OLVANRBSXUAVHD-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM Cc1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c([O-])c1 ZINC000436548167 338276455 /nfs/dbraw/zinc/27/64/55/338276455.db2.gz SSHWPDHOXCLEOY-UHFFFAOYSA-N -1 3 313.372 3.892 20 0 DHADHM CC(C)[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436546460 338276584 /nfs/dbraw/zinc/27/65/84/338276584.db2.gz FSBHCTMQYHVIEN-OAHLLOKOSA-N -1 3 317.429 3.756 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1C ZINC000436550878 338276716 /nfs/dbraw/zinc/27/67/16/338276716.db2.gz ZLLQTMWQCIUXNO-QGZVFWFLSA-N -1 3 309.409 3.639 20 0 DHADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436562552 338277318 /nfs/dbraw/zinc/27/73/18/338277318.db2.gz AVZPBOKYKUSDLG-UHFFFAOYSA-N -1 3 312.369 3.528 20 0 DHADHM CC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nc(C)cs1 ZINC000436568138 338277452 /nfs/dbraw/zinc/27/74/52/338277452.db2.gz QVCWSBHHUOTVOA-CYBMUJFWSA-N -1 3 304.415 3.655 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC12CCC2 ZINC000436575172 338277848 /nfs/dbraw/zinc/27/78/48/338277848.db2.gz NAIDSZVUSZKMCU-UHFFFAOYSA-N -1 3 321.420 3.946 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccsc2C1 ZINC000436580662 338278240 /nfs/dbraw/zinc/27/82/40/338278240.db2.gz HAHBEJZRQVUEHA-UHFFFAOYSA-N -1 3 313.422 3.531 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000436593041 338279113 /nfs/dbraw/zinc/27/91/13/338279113.db2.gz BUAHYPCRPVKVHC-LLVKDONJSA-N -1 3 301.390 3.737 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000436593042 338279195 /nfs/dbraw/zinc/27/91/95/338279195.db2.gz BUAHYPCRPVKVHC-NSHDSACASA-N -1 3 301.390 3.737 20 0 DHADHM CS[C@@H]1CCCCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000436598057 338279271 /nfs/dbraw/zinc/27/92/71/338279271.db2.gz XTIOGWUOHXPARD-OAHLLOKOSA-N -1 3 319.470 3.629 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1[O-] ZINC000436616108 338280056 /nfs/dbraw/zinc/28/00/56/338280056.db2.gz IIFCMQRHIHIROA-UHFFFAOYSA-N -1 3 322.364 3.957 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)c2ccccc12 ZINC000436618105 338280385 /nfs/dbraw/zinc/28/03/85/338280385.db2.gz MNXCZNGIBIRYGO-RYUDHWBXSA-N -1 3 302.280 3.964 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2c1cccc2F ZINC000436624608 338280412 /nfs/dbraw/zinc/28/04/12/338280412.db2.gz MAWGDFFUXCUKFQ-UHFFFAOYSA-N -1 3 311.356 3.613 20 0 DHADHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000436624478 338280552 /nfs/dbraw/zinc/28/05/52/338280552.db2.gz BMVXCHZWZDTMTA-MRXNPFEDSA-N -1 3 311.381 3.517 20 0 DHADHM COCc1ccccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436638607 338281057 /nfs/dbraw/zinc/28/10/57/338281057.db2.gz GGILXRUTCNXRTN-UHFFFAOYSA-N -1 3 313.397 3.592 20 0 DHADHM Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)c([O-])c1C ZINC000436643711 338281071 /nfs/dbraw/zinc/28/10/71/338281071.db2.gz YHWWWALOFRWMES-UHFFFAOYSA-N -1 3 321.323 3.540 20 0 DHADHM CCc1cc2c([nH]c(-c3cc(C)c([O-])c(C)c3)nc2=O)s1 ZINC000436668044 338282110 /nfs/dbraw/zinc/28/21/10/338282110.db2.gz WLNCPYCLKMWPMF-UHFFFAOYSA-N -1 3 300.383 3.949 20 0 DHADHM Cc1ccc(C(=O)N2CCC(C)=C(c3ccco3)C2)c([O-])c1C ZINC000436683755 338282701 /nfs/dbraw/zinc/28/27/01/338282701.db2.gz VOVFQFBAVIRMAG-UHFFFAOYSA-N -1 3 311.381 3.922 20 0 DHADHM CCC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436684955 338282782 /nfs/dbraw/zinc/28/27/82/338282782.db2.gz JMLNPUFCJATGPS-UHFFFAOYSA-N -1 3 312.369 3.555 20 0 DHADHM Cc1ccc(-c2nc(-c3cccnc3OC(C)C)no2)c([O-])c1 ZINC000436686870 338282800 /nfs/dbraw/zinc/28/28/00/338282800.db2.gz JIHAFNRLZGBYGC-UHFFFAOYSA-N -1 3 311.341 3.600 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccncc2F)c([O-])c1 ZINC000436691255 338283050 /nfs/dbraw/zinc/28/30/50/338283050.db2.gz SJFFBRCCZOOLGP-NSHDSACASA-N -1 3 302.349 3.541 20 0 DHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccccc1[O-])[C@H]2C ZINC000436705186 338283493 /nfs/dbraw/zinc/28/34/93/338283493.db2.gz OGJRYGKCOVJOAO-STQMWFEESA-N -1 3 311.381 3.549 20 0 DHADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(CC)c2)C1 ZINC000436708042 338283527 /nfs/dbraw/zinc/28/35/27/338283527.db2.gz VZDSPIQQZNLORL-CABCVRRESA-N -1 3 307.459 3.749 20 0 DHADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(O)cc1[O-] ZINC000436707894 338283608 /nfs/dbraw/zinc/28/36/08/338283608.db2.gz IKGAGAXGGDLDHB-UHFFFAOYSA-N -1 3 321.376 3.913 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)c([O-])c1 ZINC000436716472 338283808 /nfs/dbraw/zinc/28/38/08/338283808.db2.gz PWEQAYSSJVJEQO-OAHLLOKOSA-N -1 3 317.429 3.833 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2c(F)cncc2F)c([O-])c1 ZINC000436717419 338283882 /nfs/dbraw/zinc/28/38/82/338283882.db2.gz WQIHEYGCSGJILY-SNVBAGLBSA-N -1 3 320.339 3.680 20 0 DHADHM Cc1ncsc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC000436727365 338284557 /nfs/dbraw/zinc/28/45/57/338284557.db2.gz YYVLMTFZTWWSLL-UHFFFAOYSA-N -1 3 301.396 3.827 20 0 DHADHM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(O)cc1[O-] ZINC000436732148 338284701 /nfs/dbraw/zinc/28/47/01/338284701.db2.gz OZYOMEWNFAUQTA-GJZGRUSLSA-N -1 3 311.381 3.554 20 0 DHADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436755192 338285544 /nfs/dbraw/zinc/28/55/44/338285544.db2.gz LMPOMFJJPNBSRN-GXTWGEPZSA-N -1 3 317.429 3.756 20 0 DHADHM CCN(C(=O)c1cc(C)cc(OC)c1[O-])c1cc(C)cc(C)c1 ZINC000436754416 338285559 /nfs/dbraw/zinc/28/55/59/338285559.db2.gz ITCWLOGPHOSBAX-UHFFFAOYSA-N -1 3 313.397 3.993 20 0 DHADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c([O-])c1 ZINC000436756188 338285840 /nfs/dbraw/zinc/28/58/40/338285840.db2.gz OJSRDWGUZYQEQR-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM CCOCCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436759822 338286041 /nfs/dbraw/zinc/28/60/41/338286041.db2.gz HAZDGDKQSJKVCK-UHFFFAOYSA-N -1 3 307.434 3.748 20 0 DHADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1cccc(Cl)c1 ZINC000436759808 338286055 /nfs/dbraw/zinc/28/60/55/338286055.db2.gz GVULZKATQZLRIB-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM Cc1oc(-c2ccco2)nc1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436766509 338286300 /nfs/dbraw/zinc/28/63/00/338286300.db2.gz CHSVKHWVKJPHNA-UHFFFAOYSA-N -1 3 323.308 3.589 20 0 DHADHM Cc1ccccc1OCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000436766529 338286350 /nfs/dbraw/zinc/28/63/50/338286350.db2.gz COYAQALWFRSGGU-UHFFFAOYSA-N -1 3 310.353 3.762 20 0 DHADHM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c(OC)c1 ZINC000436772104 338286589 /nfs/dbraw/zinc/28/65/89/338286589.db2.gz IZUQNCBZJVJZPR-POHAHGRESA-N -1 3 324.336 3.630 20 0 DHADHM CCOc1ccc2cc(-c3nc(-c4ccc([O-])cc4)no3)[nH]c2c1 ZINC000436767205 338286591 /nfs/dbraw/zinc/28/65/91/338286591.db2.gz GNVAYLRGBIYVLX-UHFFFAOYSA-N -1 3 321.336 3.989 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3cc4ccccc4o3)n2)cc1 ZINC000436770752 338286714 /nfs/dbraw/zinc/28/67/14/338286714.db2.gz UCJAYLSUXVDCJP-UHFFFAOYSA-N -1 3 306.321 3.974 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)nc2ccccc12 ZINC000436772644 338286753 /nfs/dbraw/zinc/28/67/53/338286753.db2.gz OUZBLYORGMGAEF-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccc(Cl)cc3)n2)cc1 ZINC000436770905 338286763 /nfs/dbraw/zinc/28/67/63/338286763.db2.gz VUYDZFXGWYEDNI-UHFFFAOYSA-N -1 3 300.745 3.881 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(OCC4CC4)cc3)n2)cc1 ZINC000436772927 338286950 /nfs/dbraw/zinc/28/69/50/338286950.db2.gz PEYFXUMGDQNCFY-UHFFFAOYSA-N -1 3 308.337 3.898 20 0 DHADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000436780004 338287165 /nfs/dbraw/zinc/28/71/65/338287165.db2.gz YMMZBJIEKHKQLV-UHFFFAOYSA-N -1 3 320.776 3.870 20 0 DHADHM COc1cc(-c2noc(-c3ccc4cc[nH]c4c3)n2)ccc1[O-] ZINC000436789660 338287400 /nfs/dbraw/zinc/28/74/00/338287400.db2.gz LRIRKFJZTDCSAA-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n[nH]1 ZINC000436798756 338287726 /nfs/dbraw/zinc/28/77/26/338287726.db2.gz MUQSXOOPGIUERJ-UHFFFAOYSA-N -1 3 301.390 3.789 20 0 DHADHM CCc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000436832288 338288989 /nfs/dbraw/zinc/28/89/89/338288989.db2.gz HOIFBJJQMUVKHH-OAHLLOKOSA-N -1 3 317.429 3.566 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436834793 338289239 /nfs/dbraw/zinc/28/92/39/338289239.db2.gz AUCWMJXEJYJIMP-MFKMUULPSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C)cc3[O-])C2)c(C)c1 ZINC000436851790 338289848 /nfs/dbraw/zinc/28/98/48/338289848.db2.gz MSBJLSBMANWZFN-INIZCTEOSA-N -1 3 309.409 3.947 20 0 DHADHM CSc1ccccc1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000436855555 338289951 /nfs/dbraw/zinc/28/99/51/338289951.db2.gz XMVIHMYBOONQBP-UHFFFAOYSA-N -1 3 301.411 3.695 20 0 DHADHM CCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC000436864478 338290429 /nfs/dbraw/zinc/29/04/29/338290429.db2.gz NQXUFCKPVIEUHY-KRWDZBQOSA-N -1 3 311.381 3.866 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C)c(C(C)=O)c3)n2)ccc1[O-] ZINC000436880120 338291468 /nfs/dbraw/zinc/29/14/68/338291468.db2.gz PDULFURVXMRMEU-UHFFFAOYSA-N -1 3 324.336 3.629 20 0 DHADHM C[C@H](Oc1ccccc1F)c1nc(-c2ccc([O-])cc2)no1 ZINC000436884978 338291689 /nfs/dbraw/zinc/29/16/89/338291689.db2.gz BXLCNPZGWDPXDN-JTQLQIEISA-N -1 3 300.289 3.721 20 0 DHADHM Cc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c([O-])c1 ZINC000436884358 338291801 /nfs/dbraw/zinc/29/18/01/338291801.db2.gz FWVHBTVFZACNGZ-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM COc1cccc(C2(c3noc(-c4cc(C)ccc4[O-])n3)CC2)c1 ZINC000436886305 338291825 /nfs/dbraw/zinc/29/18/25/338291825.db2.gz MHTCCJXPLHPBFM-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM COc1cc(-c2noc(-c3cccc(Cl)c3F)n2)ccc1[O-] ZINC000436888428 338291913 /nfs/dbraw/zinc/29/19/13/338291913.db2.gz RVPUXCCEHCWEAW-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436889905 338291984 /nfs/dbraw/zinc/29/19/84/338291984.db2.gz BLUYVQIWHCOYOX-MEDUHNTESA-N -1 3 319.788 3.552 20 0 DHADHM COc1ccc2nc(-c3nc(-c4ccc([O-])cc4)no3)ccc2c1 ZINC000436888891 338292004 /nfs/dbraw/zinc/29/20/04/338292004.db2.gz PIFJNZGQFOIFQR-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM COc1cc(-c2noc(-c3cc(C)c(C)s3)n2)ccc1[O-] ZINC000436895127 338292351 /nfs/dbraw/zinc/29/23/51/338292351.db2.gz TXCVPKISIYCGOV-UHFFFAOYSA-N -1 3 302.355 3.796 20 0 DHADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(C)c2)C12CCCCC2 ZINC000436898825 338292456 /nfs/dbraw/zinc/29/24/56/338292456.db2.gz AEFOLHPRYWLBPP-IAGOWNOFSA-N -1 3 317.429 3.558 20 0 DHADHM COc1cccc2sc(NC(=O)c3ccc([O-])c(C)c3)nc21 ZINC000436907379 338293050 /nfs/dbraw/zinc/29/30/50/338293050.db2.gz YGHSGKFRQWOHIK-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c([O-])c1C ZINC000436913666 338293175 /nfs/dbraw/zinc/29/31/75/338293175.db2.gz WGFNDNNTGXSNLW-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000436914733 338293222 /nfs/dbraw/zinc/29/32/22/338293222.db2.gz KLXQXRQLEQSNRG-SFHVURJKSA-N -1 3 321.420 3.855 20 0 DHADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1cccc(Cl)c1 ZINC000436918592 338293386 /nfs/dbraw/zinc/29/33/86/338293386.db2.gz HPYDQVZEVALOEG-AWEZNQCLSA-N -1 3 319.788 3.935 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2cnc(-c3ccccc3)nc2)no1 ZINC000436920967 338293540 /nfs/dbraw/zinc/29/35/40/338293540.db2.gz BAKAUIFFQKZBAD-UHFFFAOYSA-N -1 3 316.320 3.566 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1F ZINC000436927676 338293787 /nfs/dbraw/zinc/29/37/87/338293787.db2.gz OMWOANLZTKQVDV-HNNXBMFYSA-N -1 3 305.324 3.860 20 0 DHADHM COc1cc(NC(=O)c2cc(C)cc(OC)c2[O-])c(C)cc1C ZINC000436927159 338293789 /nfs/dbraw/zinc/29/37/89/338293789.db2.gz MSLYVONSTZAACD-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM Cc1ccnc(-c2ccc(NC(=O)c3ccc([O-])c(C)c3)cc2)n1 ZINC000436926575 338293801 /nfs/dbraw/zinc/29/38/01/338293801.db2.gz KNKGMIBRIVAHSL-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H](C)Oc3ccccc3)no2)c1 ZINC000436930849 338294038 /nfs/dbraw/zinc/29/40/38/338294038.db2.gz IYRBJXZGWFMKSY-LLVKDONJSA-N -1 3 312.325 3.591 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000436930475 338294137 /nfs/dbraw/zinc/29/41/37/338294137.db2.gz GLMFSQHZFCLBFH-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM Cc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1[O-] ZINC000436935768 338294502 /nfs/dbraw/zinc/29/45/02/338294502.db2.gz LMTVDOABRCIVQU-XJKSGUPXSA-N -1 3 313.372 3.858 20 0 DHADHM Cc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)ccc1[O-] ZINC000436938495 338294686 /nfs/dbraw/zinc/29/46/86/338294686.db2.gz LVWKMUCLOXKBGW-LLVKDONJSA-N -1 3 317.335 3.738 20 0 DHADHM Cc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)ccc1[O-] ZINC000436940238 338294828 /nfs/dbraw/zinc/29/48/28/338294828.db2.gz VGWRPOCBLMNLDQ-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM COC(=O)c1occc1/C=C/c1ccc2cc(C)cc([O-])c2n1 ZINC000436947497 338295351 /nfs/dbraw/zinc/29/53/51/338295351.db2.gz YUNHVYOLFMZCJY-HWKANZROSA-N -1 3 309.321 3.799 20 0 DHADHM COc1ccc2ccccc2c1CNC(=O)c1cccc(C)c1[O-] ZINC000436951208 338295507 /nfs/dbraw/zinc/29/55/07/338295507.db2.gz FIYDBOOJUXFVOA-UHFFFAOYSA-N -1 3 321.376 3.792 20 0 DHADHM COc1ccc2nc(C)cc(C(=O)Nc3c(C)cccc3[O-])c2c1 ZINC000436952763 338295619 /nfs/dbraw/zinc/29/56/19/338295619.db2.gz YFFHEIUWXUPNPN-UHFFFAOYSA-N -1 3 322.364 3.818 20 0 DHADHM CO[C@@H](c1noc(-c2cc(C)ccc2[O-])n1)c1ccc(F)cc1 ZINC000436953676 338295732 /nfs/dbraw/zinc/29/57/32/338295732.db2.gz RADBCGDDRVHTAN-OAHLLOKOSA-N -1 3 314.316 3.626 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436991640 338297009 /nfs/dbraw/zinc/29/70/09/338297009.db2.gz RUJJLSUYYPAUMN-MFKMUULPSA-N -1 3 315.335 3.929 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(OC(C)C)cc2F)c1[O-] ZINC000436994318 338297086 /nfs/dbraw/zinc/29/70/86/338297086.db2.gz CBCNUJKMYKUNDJ-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1ccc(-c2nc(COc3cccc(F)c3)no2)c([O-])c1C ZINC000436994303 338297135 /nfs/dbraw/zinc/29/71/35/338297135.db2.gz BWLXMNNTIIDTHY-UHFFFAOYSA-N -1 3 314.316 3.777 20 0 DHADHM Cc1cccc(-c2nc(CSCc3ccco3)no2)c1[O-] ZINC000436994657 338297157 /nfs/dbraw/zinc/29/71/57/338297157.db2.gz ABABWBPYUAYOIJ-UHFFFAOYSA-N -1 3 302.355 3.777 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)ccc1[O-] ZINC000438021547 338328331 /nfs/dbraw/zinc/32/83/31/338328331.db2.gz GEPALCSEGADWHM-SJLPKXTDSA-N -1 3 319.445 3.804 20 0 DHADHM Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c([O-])c1C ZINC000438600951 338349573 /nfs/dbraw/zinc/34/95/73/338349573.db2.gz HCKKIIODBOFFBL-GFCCVEGCSA-N -1 3 303.324 3.716 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000438677381 338350745 /nfs/dbraw/zinc/35/07/45/338350745.db2.gz GLFZLIXEIYUQLP-WMZOPIPTSA-N -1 3 309.409 3.842 20 0 DHADHM COc1cc(-c2noc(-c3cc(C)cc(F)c3)n2)ccc1[O-] ZINC000438743741 338351601 /nfs/dbraw/zinc/35/16/01/338351601.db2.gz JRGGEQWQZFZAOY-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM [O-]c1ccc(-c2noc([C@H]3SCCc4ccccc43)n2)cc1 ZINC000438757539 338351815 /nfs/dbraw/zinc/35/18/15/338351815.db2.gz ULICSYLRQJMKLL-HNNXBMFYSA-N -1 3 310.378 3.821 20 0 DHADHM [O-]c1ccc(F)c(CNc2cccc(-c3cc[nH]n3)c2)c1F ZINC000438860066 338354129 /nfs/dbraw/zinc/35/41/29/338354129.db2.gz RCVNZVVJYWDJJO-UHFFFAOYSA-N -1 3 301.296 3.673 20 0 DHADHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1[O-] ZINC000440321296 338385481 /nfs/dbraw/zinc/38/54/81/338385481.db2.gz TUIKJHZTWJQLOS-LLVKDONJSA-N -1 3 324.163 3.563 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)Sc2ccccc2)c1 ZINC000440330566 338385554 /nfs/dbraw/zinc/38/55/54/338385554.db2.gz YTIAKRGUJIEKNY-CYBMUJFWSA-N -1 3 301.411 3.611 20 0 DHADHM O=S(=O)([N-]C1CCCC1)c1c(Cl)ccc2ccccc21 ZINC000440415309 338387015 /nfs/dbraw/zinc/38/70/15/338387015.db2.gz MHLXJLQUDDJXOI-UHFFFAOYSA-N -1 3 309.818 3.714 20 0 DHADHM COc1cc(C(=O)NCCc2ccc3ccccc3c2)ccc1[O-] ZINC000442864439 338435941 /nfs/dbraw/zinc/43/59/41/338435941.db2.gz ZMDHGJZMMKNTIZ-UHFFFAOYSA-N -1 3 321.376 3.527 20 0 DHADHM Cc1ccc(Br)c(C(=O)Nc2ccccc2[O-])c1 ZINC000159573817 338528453 /nfs/dbraw/zinc/52/84/53/338528453.db2.gz ZMPYJARPVQKMSN-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CCOCc1nc(C)c(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000448759780 338574247 /nfs/dbraw/zinc/57/42/47/338574247.db2.gz PCHQMDKJJHWUMS-UHFFFAOYSA-N -1 3 312.341 3.519 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])NC[C@@H]1CC=CCC1 ZINC000448804439 338575422 /nfs/dbraw/zinc/57/54/22/338575422.db2.gz IUDOBMQSEXQNCQ-OAHLLOKOSA-N -1 3 309.409 3.951 20 0 DHADHM Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448903380 338579282 /nfs/dbraw/zinc/57/92/82/338579282.db2.gz YNZFQKIDQLBHAC-UHFFFAOYSA-N -1 3 315.388 3.520 20 0 DHADHM CC(C)OC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450087327 338666487 /nfs/dbraw/zinc/66/64/87/338666487.db2.gz OGECXENAJHSCTP-UHFFFAOYSA-N -1 3 305.296 3.553 20 0 DHADHM C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450207602 338671050 /nfs/dbraw/zinc/67/10/50/338671050.db2.gz GCFFTYOYBKIJBE-SJKOYZFVSA-N -1 3 313.372 3.829 20 0 DHADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000450315696 338677078 /nfs/dbraw/zinc/67/70/78/338677078.db2.gz PQDSHZCYXCWLDI-QGZVFWFLSA-N -1 3 309.409 3.737 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3C[C@H]3C(C)C)nc2)n1 ZINC000450804574 338706255 /nfs/dbraw/zinc/70/62/55/338706255.db2.gz BEGMJLBQOKHFKF-ZFWWWQNUSA-N -1 3 312.417 3.511 20 0 DHADHM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)c2c([O-])cccc21 ZINC000450939209 338713442 /nfs/dbraw/zinc/71/34/42/338713442.db2.gz PYGNOBJBSLOGBB-VIFPVBQESA-N -1 3 324.302 3.893 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1cccs1 ZINC000451096274 338721143 /nfs/dbraw/zinc/72/11/43/338721143.db2.gz MFKULUWDNBQOCL-SECBINFHSA-N -1 3 321.876 3.893 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCC[C@H]1C ZINC000452757413 338778078 /nfs/dbraw/zinc/77/80/78/338778078.db2.gz PQDJSWUAGGBLBE-SCZZXKLOSA-N -1 3 312.207 3.838 20 0 DHADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000457292926 338958346 /nfs/dbraw/zinc/95/83/46/338958346.db2.gz QQUQFXNFTNHGTJ-HIFRSBDPSA-N -1 3 315.335 3.966 20 0 DHADHM CCOC[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000458062431 338987293 /nfs/dbraw/zinc/98/72/93/338987293.db2.gz AODOCNZGRIEANS-OAHLLOKOSA-N -1 3 305.418 3.547 20 0 DHADHM C[C@H](c1ccco1)N(C)Cc1cccc([O-])c1Br ZINC000459296438 339019907 /nfs/dbraw/zinc/01/99/07/339019907.db2.gz IGYPLTWSXRRDAD-SNVBAGLBSA-N -1 3 310.191 3.941 20 0 DHADHM CCOc1cc(CN2CCS[C@@H](C)CC2)cc(Cl)c1[O-] ZINC000459511102 339033349 /nfs/dbraw/zinc/03/33/49/339033349.db2.gz PIPSUVYIRJRLDY-NSHDSACASA-N -1 3 315.866 3.772 20 0 DHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459289319 339019590 /nfs/dbraw/zinc/01/95/90/339019590.db2.gz APYUPMVYFRXVFY-LLVKDONJSA-N -1 3 317.820 3.906 20 0 DHADHM Cc1ccccc1CN(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459321637 339021637 /nfs/dbraw/zinc/02/16/37/339021637.db2.gz GLKHYSVMUCNFCN-UHFFFAOYSA-N -1 3 309.413 3.533 20 0 DHADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459347925 339023362 /nfs/dbraw/zinc/02/33/62/339023362.db2.gz MAJODKBLOPREBM-SNVBAGLBSA-N -1 3 303.793 3.564 20 0 DHADHM CC(C)(C)[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459355085 339023957 /nfs/dbraw/zinc/02/39/57/339023957.db2.gz PPGITSZTCROGTM-KRWDZBQOSA-N -1 3 311.429 3.937 20 0 DHADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459433102 339028941 /nfs/dbraw/zinc/02/89/41/339028941.db2.gz BLEOLNTVWKZBIA-OAHLLOKOSA-N -1 3 317.820 3.954 20 0 DHADHM CCOc1cc(CNc2cccc3c2OCO3)cc(Cl)c1[O-] ZINC000459465446 339030792 /nfs/dbraw/zinc/03/07/92/339030792.db2.gz OKFLXLPBSJNDJR-UHFFFAOYSA-N -1 3 321.760 3.785 20 0 DHADHM CC[C@@H](CSC)N(C)Cc1cccc([O-])c1Br ZINC000459549668 339035255 /nfs/dbraw/zinc/03/52/55/339035255.db2.gz GBGIYGPOHKFXHF-NSHDSACASA-N -1 3 318.280 3.728 20 0 DHADHM CCOc1cc(CNCc2cnc(C)cc2C)cc(Cl)c1[O-] ZINC000459564083 339035979 /nfs/dbraw/zinc/03/59/79/339035979.db2.gz RDKORIMFNJOFDR-UHFFFAOYSA-N -1 3 320.820 3.746 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc(Cl)cc2c1OCC2 ZINC000462764661 339087499 /nfs/dbraw/zinc/08/74/99/339087499.db2.gz QTERIKHSYFDEOM-UHFFFAOYSA-N -1 3 303.745 3.541 20 0 DHADHM Cc1ccc2oc([N-][C@H]3C[C@H](C)N(c4ccccc4)C3=O)nc2c1 ZINC000463067344 339103951 /nfs/dbraw/zinc/10/39/51/339103951.db2.gz CWKQGIBMXWNIOT-BBRMVZONSA-N -1 3 321.380 3.742 20 0 DHADHM CCCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000465188610 339171120 /nfs/dbraw/zinc/17/11/20/339171120.db2.gz XYYWZOJGKMQELB-HNNXBMFYSA-N -1 3 308.397 3.689 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c(C)c1 ZINC000467082321 339226025 /nfs/dbraw/zinc/22/60/25/339226025.db2.gz CUPXUEDIHJQWPF-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1 ZINC000468134394 339255074 /nfs/dbraw/zinc/25/50/74/339255074.db2.gz UOZJYUKSIGKHFP-UHFFFAOYSA-N -1 3 324.302 3.927 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000468276809 339258644 /nfs/dbraw/zinc/25/86/44/339258644.db2.gz KHUNNMCIYNZOBW-GOSISDBHSA-N -1 3 323.440 3.787 20 0 DHADHM CN(CCc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468403220 339262049 /nfs/dbraw/zinc/26/20/49/339262049.db2.gz VNSNARXRODLGOU-UHFFFAOYSA-N -1 3 315.388 3.555 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1O ZINC000469054397 339278735 /nfs/dbraw/zinc/27/87/35/339278735.db2.gz QSTDCSSSJQPRQL-UHFFFAOYSA-N -1 3 317.360 3.815 20 0 DHADHM Cc1cccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469088743 339279895 /nfs/dbraw/zinc/27/98/95/339279895.db2.gz WESIGCROBVBVKW-UHFFFAOYSA-N -1 3 315.388 3.521 20 0 DHADHM C[C@@H]1CCN(C(=O)Cn2ccc3ccccc32)c2c([O-])cccc21 ZINC000469186054 339282457 /nfs/dbraw/zinc/28/24/57/339282457.db2.gz ZBCOENZJLLJSTD-CQSZACIVSA-N -1 3 320.392 3.887 20 0 DHADHM C[C@@H]1CCN(C(=O)CO[C@@H]2CCCC[C@H]2C)c2c([O-])cccc21 ZINC000469208991 339283064 /nfs/dbraw/zinc/28/30/64/339283064.db2.gz CQRLINLYMKKXBS-CKEIUWERSA-N -1 3 317.429 3.828 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1 ZINC000469245028 339284106 /nfs/dbraw/zinc/28/41/06/339284106.db2.gz HELDKKQJBNLEMU-FQEVSTJZSA-N -1 3 309.409 3.938 20 0 DHADHM CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469390758 339287662 /nfs/dbraw/zinc/28/76/62/339287662.db2.gz KENMYJZPCBPTQP-AWEZNQCLSA-N -1 3 307.409 3.893 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000469392454 339287756 /nfs/dbraw/zinc/28/77/56/339287756.db2.gz CGJNIZZMNQCKDN-RDJZCZTQSA-N -1 3 319.420 3.939 20 0 DHADHM CN(CCc1cccs1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469401375 339287905 /nfs/dbraw/zinc/28/79/05/339287905.db2.gz GSCBIWLBLHFNMK-UHFFFAOYSA-N -1 3 321.417 3.617 20 0 DHADHM CC(C)[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469661000 339295030 /nfs/dbraw/zinc/29/50/30/339295030.db2.gz MBKBXGRSEWJYGF-HNNXBMFYSA-N -1 3 307.409 3.749 20 0 DHADHM C[C@H]1CC[C@]2(CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)C1 ZINC000469797516 339300752 /nfs/dbraw/zinc/30/07/52/339300752.db2.gz CLNMLILMKSSAJB-LIRRHRJNSA-N -1 3 319.420 3.893 20 0 DHADHM Cc1cc(C(=O)[N-]c2ncc(-c3ccc(C)cc3C)s2)on1 ZINC000470345367 339317743 /nfs/dbraw/zinc/31/77/43/339317743.db2.gz NTQJXNKUFGTUFT-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM CCC(CC)[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccs1 ZINC000471794699 339354260 /nfs/dbraw/zinc/35/42/60/339354260.db2.gz UPSZFQHJAWIQIG-GFCCVEGCSA-N -1 3 310.444 3.818 20 0 DHADHM CS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000472146705 339364397 /nfs/dbraw/zinc/36/43/97/339364397.db2.gz AUVIDIPBRCLNOY-CABCVRRESA-N -1 3 315.438 3.949 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCSCc1ccccc1 ZINC000472488247 339372655 /nfs/dbraw/zinc/37/26/55/339372655.db2.gz RPNFEWLBMJXMOC-UHFFFAOYSA-N -1 3 301.411 3.963 20 0 DHADHM CCCOc1ccc(C(C)(C)NCc2nc(C)ccc2[O-])cc1 ZINC000475666253 339458679 /nfs/dbraw/zinc/45/86/79/339458679.db2.gz ICFAQRUGUNXXHR-UHFFFAOYSA-N -1 3 314.429 3.909 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000476259540 339472708 /nfs/dbraw/zinc/47/27/08/339472708.db2.gz MJTGHKXRBYJBJF-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000477501462 339496124 /nfs/dbraw/zinc/49/61/24/339496124.db2.gz UAWVWZMNJAUMIS-UHFFFAOYSA-N -1 3 318.442 3.677 20 0 DHADHM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000478444678 339515640 /nfs/dbraw/zinc/51/56/40/339515640.db2.gz GNDWREGYDVJDBC-ZDUSSCGKSA-N -1 3 309.837 3.873 20 0 DHADHM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc([O-])c1 ZINC000478543462 339517510 /nfs/dbraw/zinc/51/75/10/339517510.db2.gz STWLEBRBIJWSNQ-CTYIDZIISA-N -1 3 301.773 3.722 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)cc1 ZINC000478702169 339520795 /nfs/dbraw/zinc/52/07/95/339520795.db2.gz NTSPQZUTVHMJHE-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000479563809 339541378 /nfs/dbraw/zinc/54/13/78/339541378.db2.gz OXVOUVWJZLTJAM-AWEZNQCLSA-N -1 3 323.751 3.981 20 0 DHADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000484926593 339695894 /nfs/dbraw/zinc/69/58/94/339695894.db2.gz ONAKYYZLGNEMES-UHFFFAOYSA-N -1 3 319.357 3.919 20 0 DHADHM CC(C)(C)c1ncc(C=Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000485981969 339717871 /nfs/dbraw/zinc/71/78/71/339717871.db2.gz UGAIXDUJCZFTJD-VOTSOKGWSA-N -1 3 301.415 3.984 20 0 DHADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486102141 339721142 /nfs/dbraw/zinc/72/11/42/339721142.db2.gz CHYRBZQHNQVXSJ-GWCFXTLKSA-N -1 3 317.307 3.555 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1sccc1F ZINC000486106689 339721307 /nfs/dbraw/zinc/72/13/07/339721307.db2.gz ONGMNBITEQQWMG-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM CCc1cc(C(=O)Nc2cc(F)c(OC)cc2C)ccc1[O-] ZINC000487059016 339743104 /nfs/dbraw/zinc/74/31/04/339743104.db2.gz IDWCCEKPMSPVGF-UHFFFAOYSA-N -1 3 303.333 3.663 20 0 DHADHM CCc1cc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)ccc1[O-] ZINC000487704441 339761341 /nfs/dbraw/zinc/76/13/41/339761341.db2.gz CRKHVFJQEGOEDZ-INIZCTEOSA-N -1 3 317.429 3.566 20 0 DHADHM CCc1cc(C(=O)NCc2c(F)cccc2SC)ccc1[O-] ZINC000487956299 339766800 /nfs/dbraw/zinc/76/68/00/339766800.db2.gz XCRJBPVZJZSNHJ-UHFFFAOYSA-N -1 3 319.401 3.746 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1COc2ccc(Cl)cc21 ZINC000489061272 339801095 /nfs/dbraw/zinc/80/10/95/339801095.db2.gz QCYNDESLWRAWSA-NSHDSACASA-N -1 3 324.163 3.814 20 0 DHADHM O=C(/C=C\c1nc2ccccc2s1)Nc1ccc([O-])cc1F ZINC000492451128 339900940 /nfs/dbraw/zinc/90/09/40/339900940.db2.gz WEIZOCRJFDRFRC-FPLPWBNLSA-N -1 3 314.341 3.793 20 0 DHADHM CCOC(=O)Nc1ccc(NC(=O)[N-]OCCC(C)(C)C)cc1 ZINC000496145291 339999281 /nfs/dbraw/zinc/99/92/81/339999281.db2.gz DYZKQGYPPBXRRZ-UHFFFAOYSA-N -1 3 323.393 3.744 20 0 DHADHM CC1(CNC(=O)c2cc([O-])ccc2Cl)Cc2ccccc2C1 ZINC000496584662 340008295 /nfs/dbraw/zinc/00/82/95/340008295.db2.gz ZEYJSHUPBAYTRL-UHFFFAOYSA-N -1 3 315.800 3.581 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2c(F)ccc(C)c2F)s1 ZINC000499143955 340031018 /nfs/dbraw/zinc/03/10/18/340031018.db2.gz PBMPJUZJPZGMQW-UHFFFAOYSA-N -1 3 311.357 3.720 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000499688467 340042802 /nfs/dbraw/zinc/04/28/02/340042802.db2.gz ZTAOCGLUAGHHBO-UHFFFAOYSA-N -1 3 307.296 3.808 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1[O-] ZINC000499749306 340044027 /nfs/dbraw/zinc/04/40/27/340044027.db2.gz KDSRRKJFVPAGOO-UHFFFAOYSA-N -1 3 310.397 3.943 20 0 DHADHM Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1[O-] ZINC000499876322 340046337 /nfs/dbraw/zinc/04/63/37/340046337.db2.gz MPCZGUXLRGVCCD-UHFFFAOYSA-N -1 3 303.789 3.717 20 0 DHADHM Cc1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)ccc1[O-] ZINC000499952034 340047605 /nfs/dbraw/zinc/04/76/05/340047605.db2.gz FGTHALGWPKPFIL-UHFFFAOYSA-N -1 3 311.356 3.922 20 0 DHADHM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cc(F)ccc1[O-] ZINC000499980203 340048009 /nfs/dbraw/zinc/04/80/09/340048009.db2.gz QCQYZVBKTDFGEW-LBPRGKRZSA-N -1 3 324.355 3.897 20 0 DHADHM Cc1cc(C(=O)Nc2ccccc2OCC(F)F)ccc1[O-] ZINC000500332333 340055270 /nfs/dbraw/zinc/05/52/70/340055270.db2.gz RIYIOYPDRSDPBE-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000500415818 340057681 /nfs/dbraw/zinc/05/76/81/340057681.db2.gz RYFCIMBRVLUBAP-NSHDSACASA-N -1 3 317.360 3.593 20 0 DHADHM CC[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000501968969 340091757 /nfs/dbraw/zinc/09/17/57/340091757.db2.gz ZCVPGNLRHSEXKI-TZMCWYRMSA-N -1 3 305.418 3.833 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)Cn2cnc3ccccc32)c([O-])c1 ZINC000506234744 340189537 /nfs/dbraw/zinc/18/95/37/340189537.db2.gz YPLUHHFOXHXMMA-UHFFFAOYSA-N -1 3 323.396 3.678 20 0 DHADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701904 340199702 /nfs/dbraw/zinc/19/97/02/340199702.db2.gz HKDIMHHSWQRLBT-BDAKNGLRSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1ccccc1C(C)(C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000508051610 340238323 /nfs/dbraw/zinc/23/83/23/340238323.db2.gz DYVDAJCEJYCJIQ-UHFFFAOYSA-N -1 3 317.816 3.948 20 0 DHADHM CC(C)(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)co2)no1 ZINC000508528745 340245921 /nfs/dbraw/zinc/24/59/21/340245921.db2.gz OOFCIQPTAXJFMK-UHFFFAOYSA-N -1 3 311.341 3.879 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H](c1cccs1)C1CC1 ZINC000508769148 340252795 /nfs/dbraw/zinc/25/27/95/340252795.db2.gz JVOGRKFBELYXBC-INIZCTEOSA-N -1 3 321.829 3.917 20 0 DHADHM Cc1ccc(CNC(=O)c2cccc([O-])c2)c(OC(C)(C)C)c1 ZINC000509001300 340257740 /nfs/dbraw/zinc/25/77/40/340257740.db2.gz WJVHBMBZPNCYCA-UHFFFAOYSA-N -1 3 313.397 3.808 20 0 DHADHM O=C(Cc1ccc([O-])cc1Cl)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000509084949 340260795 /nfs/dbraw/zinc/26/07/95/340260795.db2.gz XSKPKUFANIJCAL-DOOHLRMFSA-N -1 3 319.832 3.625 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccc(F)cc1Cl ZINC000509153967 340262450 /nfs/dbraw/zinc/26/24/50/340262450.db2.gz HIAZEIHZMXSUGJ-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM CSc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000509217835 340264009 /nfs/dbraw/zinc/26/40/09/340264009.db2.gz MHLJDDQYUJNJJV-UHFFFAOYSA-N -1 3 311.403 3.657 20 0 DHADHM Cc1cccc(C(=O)N(C)CCOc2cccc(Cl)c2)c1[O-] ZINC000302797080 340282146 /nfs/dbraw/zinc/28/21/46/340282146.db2.gz GOAXRODBKJOQKJ-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000302938922 340288000 /nfs/dbraw/zinc/28/80/00/340288000.db2.gz KLZMKLPXANEZCA-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM CC(=O)c1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1F ZINC000510085380 340288265 /nfs/dbraw/zinc/28/82/65/340288265.db2.gz LVHZXRHFZKSRDY-UHFFFAOYSA-N -1 3 316.719 3.998 20 0 DHADHM Cc1cccc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)c1[O-] ZINC000302978061 340291795 /nfs/dbraw/zinc/29/17/95/340291795.db2.gz SMPHMQJAHJNMJQ-QGZVFWFLSA-N -1 3 312.413 3.567 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1[O-] ZINC000303014775 340295510 /nfs/dbraw/zinc/29/55/10/340295510.db2.gz KJTJNMRZJWJDOR-UHFFFAOYSA-N -1 3 311.381 3.880 20 0 DHADHM CSCCc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000303167321 340308119 /nfs/dbraw/zinc/30/81/19/340308119.db2.gz IQEFGYYMKYLXOH-UHFFFAOYSA-N -1 3 301.411 3.858 20 0 DHADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)c1ccc(F)cc1F ZINC000511397878 340326641 /nfs/dbraw/zinc/32/66/41/340326641.db2.gz YFDSKQRSQLBGDK-VIFPVBQESA-N -1 3 313.294 3.842 20 0 DHADHM Cc1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1[O-] ZINC000303587914 340335898 /nfs/dbraw/zinc/33/58/98/340335898.db2.gz GUISDVODISDUEV-UHFFFAOYSA-N -1 3 313.372 3.892 20 0 DHADHM CC1(CNCc2c(F)ccc([O-])c2F)Cc2ccccc2C1 ZINC000511795667 340338476 /nfs/dbraw/zinc/33/84/76/340338476.db2.gz WTFPLPPKLYIDBK-UHFFFAOYSA-N -1 3 303.352 3.565 20 0 DHADHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000303774175 340346186 /nfs/dbraw/zinc/34/61/86/340346186.db2.gz NJSLSQSTQUCQIF-BDJLRTHQSA-N -1 3 319.788 3.552 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000512591389 340368319 /nfs/dbraw/zinc/36/83/19/340368319.db2.gz COUJRLINWBRDHT-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM Cc1cccc(OCC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000186287197 340510617 /nfs/dbraw/zinc/51/06/17/340510617.db2.gz KRJXAFNMLYZQMR-AWEZNQCLSA-N -1 3 311.381 3.620 20 0 DHADHM Cc1cccc(OCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000186287214 340510666 /nfs/dbraw/zinc/51/06/66/340510666.db2.gz KRJXAFNMLYZQMR-CQSZACIVSA-N -1 3 311.381 3.620 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc(F)c(F)c2)c2c([O-])cccc21 ZINC000186332055 340511401 /nfs/dbraw/zinc/51/14/01/340511401.db2.gz RNDUFDAZNYGXLP-LLVKDONJSA-N -1 3 317.335 3.753 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)c(C)c1 ZINC000194726560 340595414 /nfs/dbraw/zinc/59/54/14/340595414.db2.gz UEXKNQVPOBZVCV-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229339268 340612766 /nfs/dbraw/zinc/61/27/66/340612766.db2.gz YQISDCQUHSOQKS-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM Cc1cc(F)cc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000524685421 340661012 /nfs/dbraw/zinc/66/10/12/340661012.db2.gz XTBNWRNKECMFHD-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1ccc([O-])c(CNc2ccccc2OCC(F)(F)F)n1 ZINC000317042490 340699820 /nfs/dbraw/zinc/69/98/20/340699820.db2.gz WGILHGNWYYUFOC-UHFFFAOYSA-N -1 3 312.291 3.649 20 0 DHADHM CCC(CC)N(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000529395004 340753998 /nfs/dbraw/zinc/75/39/98/340753998.db2.gz IQMHTJCXRXTHAB-UHFFFAOYSA-N -1 3 314.223 3.805 20 0 DHADHM CC(C)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)no1 ZINC000124298351 340798210 /nfs/dbraw/zinc/79/82/10/340798210.db2.gz IXNCSOAGLULIQT-UHFFFAOYSA-N -1 3 314.263 3.775 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3noc(C)n3)c2)c1 ZINC000538743900 340846539 /nfs/dbraw/zinc/84/65/39/340846539.db2.gz UQIGCXDIQRBWFA-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM COc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000128522453 340892779 /nfs/dbraw/zinc/89/27/79/340892779.db2.gz QECYEGLFULDFER-UHFFFAOYSA-N -1 3 323.751 3.765 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cccc(OC(F)(F)F)c1 ZINC000128915767 340928413 /nfs/dbraw/zinc/92/84/13/340928413.db2.gz VTVAHMRFRSDHCZ-UHFFFAOYSA-N -1 3 315.222 3.682 20 0 DHADHM Cc1c(C(=O)Nc2cccc([O-])c2F)cnn1C1CCCCC1 ZINC000540971542 340953948 /nfs/dbraw/zinc/95/39/48/340953948.db2.gz KBFGVPNPFXYNNR-UHFFFAOYSA-N -1 3 317.364 3.794 20 0 DHADHM Cc1cc(C(=O)NCc2cccc(Cl)c2Cl)ccc1[O-] ZINC000541857734 340986047 /nfs/dbraw/zinc/98/60/47/340986047.db2.gz UKSNDOORQJYUFN-UHFFFAOYSA-N -1 3 310.180 3.937 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2Cl)s1 ZINC000543032851 341028973 /nfs/dbraw/zinc/02/89/73/341028973.db2.gz YFRODBQJVWWWKF-UHFFFAOYSA-N -1 3 319.810 3.904 20 0 DHADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1CC(C)C ZINC000130736707 341039908 /nfs/dbraw/zinc/03/99/08/341039908.db2.gz BYHXJUADBPMVQU-UHFFFAOYSA-N -1 3 321.808 3.713 20 0 DHADHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H]1CC=CCC1 ZINC000544107363 341070385 /nfs/dbraw/zinc/07/03/85/341070385.db2.gz JXFJTKMWSHZDMJ-CYBMUJFWSA-N -1 3 323.396 3.870 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc4c(c3)ncn4C)no2)c1[O-] ZINC000544995563 341103492 /nfs/dbraw/zinc/10/34/92/341103492.db2.gz XZNMDDOKIBJOMY-UHFFFAOYSA-N -1 3 320.352 3.558 20 0 DHADHM C[C@@H]1CCC[C@@H](CCN(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131687153 341108349 /nfs/dbraw/zinc/10/83/49/341108349.db2.gz OJVMQOFQGKAVEG-OLZOCXBDSA-N -1 3 319.474 3.633 20 0 DHADHM COc1cccc2c1nc(-c1cc(Cl)c([O-])c(OC)c1)n2C ZINC000545310004 341120313 /nfs/dbraw/zinc/12/03/13/341120313.db2.gz IKQSQSQSWIOUGO-UHFFFAOYSA-N -1 3 318.760 3.617 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000132670862 341139060 /nfs/dbraw/zinc/13/90/60/341139060.db2.gz ZSWYLYBHSJLDKC-UHFFFAOYSA-N -1 3 319.411 3.983 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c1[O-] ZINC000545771162 341140302 /nfs/dbraw/zinc/14/03/02/341140302.db2.gz OYHHXKFUSCHSMZ-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM C[C@H](c1noc(-c2ccc3c(c2[O-])CCCC3)n1)c1ccncc1 ZINC000545800378 341141517 /nfs/dbraw/zinc/14/15/17/341141517.db2.gz GWRHRSZWBIWGAV-LBPRGKRZSA-N -1 3 321.380 3.868 20 0 DHADHM Cc1[nH]c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2c1C ZINC000132802252 341145978 /nfs/dbraw/zinc/14/59/78/341145978.db2.gz PXPYDRLERZSZPO-UHFFFAOYSA-N -1 3 312.344 3.559 20 0 DHADHM COC(=O)c1cccc(-c2csc(-c3ccccc3[O-])n2)c1 ZINC000133054183 341153101 /nfs/dbraw/zinc/15/31/01/341153101.db2.gz DMNWGCQNOBUGAZ-UHFFFAOYSA-N -1 3 311.362 3.969 20 0 DHADHM [O-]c1ccccc1-c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000546372937 341165490 /nfs/dbraw/zinc/16/54/90/341165490.db2.gz SIOTYFQBKOESBG-UHFFFAOYSA-N -1 3 306.243 3.721 20 0 DHADHM CCc1cccc(-c2nc(COCc3ccccc3)no2)c1[O-] ZINC000546385346 341166095 /nfs/dbraw/zinc/16/60/95/341166095.db2.gz VZOBIZVPRRBDDH-UHFFFAOYSA-N -1 3 310.353 3.721 20 0 DHADHM C[C@H]1C[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000546511141 341171629 /nfs/dbraw/zinc/17/16/29/341171629.db2.gz XOJGAYFAJMBBBW-SMDDNHRTSA-N -1 3 310.353 3.878 20 0 DHADHM CC(C(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000546857651 341183805 /nfs/dbraw/zinc/18/38/05/341183805.db2.gz TWGCVMIUDMIOAI-SCSAIBSYSA-N -1 3 302.079 3.836 20 0 DHADHM CC(C(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000546857650 341183752 /nfs/dbraw/zinc/18/37/52/341183752.db2.gz TWGCVMIUDMIOAI-BYPYZUCNSA-N -1 3 302.079 3.836 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000076516256 341208724 /nfs/dbraw/zinc/20/87/24/341208724.db2.gz XPURJELWFIAJGH-HIFRSBDPSA-N -1 3 313.372 3.858 20 0 DHADHM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C)c2[O-])C1(C)C ZINC000547722303 341228824 /nfs/dbraw/zinc/22/88/24/341228824.db2.gz WEVIXKCKNYKGGH-NWDGAFQWSA-N -1 3 309.793 3.544 20 0 DHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(OC)c1[O-] ZINC000078280842 341239536 /nfs/dbraw/zinc/23/95/36/341239536.db2.gz LXOPYLGWXKETQZ-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CSc1nsc([N-]C(=O)c2csc3ccccc23)n1 ZINC000078283634 341239610 /nfs/dbraw/zinc/23/96/10/341239610.db2.gz REWUNFMNDMIWCB-UHFFFAOYSA-N -1 3 307.425 3.727 20 0 DHADHM O=C(Cc1ccccc1F)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000078490913 341242902 /nfs/dbraw/zinc/24/29/02/341242902.db2.gz KRQYOJYRUDISSW-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM C[C@H]1CCCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548275368 341253798 /nfs/dbraw/zinc/25/37/98/341253798.db2.gz BOEGRZQTRWKNCF-LBPRGKRZSA-N -1 3 311.385 3.846 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1cncc(-c2ccccc2)c1 ZINC000136989807 341270074 /nfs/dbraw/zinc/27/00/74/341270074.db2.gz QYFLSBQQPKJMIF-UHFFFAOYSA-N -1 3 308.312 3.846 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1occc1Br ZINC000080938000 341276965 /nfs/dbraw/zinc/27/69/65/341276965.db2.gz CWXXPTPSLOKSNK-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM CS[C@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459939 341291730 /nfs/dbraw/zinc/29/17/30/341291730.db2.gz XUMRUXZUQPNUQL-GFCCVEGCSA-N -1 3 301.411 3.673 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccncc1F ZINC000081459789 341291798 /nfs/dbraw/zinc/29/17/98/341291798.db2.gz CNIYPMOUWNFELI-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM C[C@@H](F)CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000549525084 341295872 /nfs/dbraw/zinc/29/58/72/341295872.db2.gz WQTQQVGKTYHKLQ-SNVBAGLBSA-N -1 3 315.797 3.520 20 0 DHADHM CC(C)C1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000549910117 341306361 /nfs/dbraw/zinc/30/63/61/341306361.db2.gz BDSKNTJHETUSSG-UHFFFAOYSA-N -1 3 301.477 3.513 20 0 DHADHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000550223334 341312883 /nfs/dbraw/zinc/31/28/83/341312883.db2.gz ALTHYVCMOHHLPR-ZDUSSCGKSA-N -1 3 303.789 3.797 20 0 DHADHM Cc1ccc(SCC(=O)Nc2cccc([O-])c2F)c(C)c1 ZINC000551487222 341342763 /nfs/dbraw/zinc/34/27/63/341342763.db2.gz MYCYHVCUMRUIIG-UHFFFAOYSA-N -1 3 305.374 3.879 20 0 DHADHM CC1CCC(N(C(=O)NCc2ccc([O-])c(F)c2)C2CC2)CC1 ZINC000141728667 341381097 /nfs/dbraw/zinc/38/10/97/341381097.db2.gz SNZXQYPIJYJJOM-UHFFFAOYSA-N -1 3 320.408 3.784 20 0 DHADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c([O-])cccc2Cl)C1(C)C ZINC000552434295 341393592 /nfs/dbraw/zinc/39/35/92/341393592.db2.gz IFXPSKLYRJYQON-MNOVXSKESA-N -1 3 309.793 3.626 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000552780021 341404114 /nfs/dbraw/zinc/40/41/14/341404114.db2.gz SFDGYUZRAXLGFD-CYBMUJFWSA-N -1 3 324.163 3.641 20 0 DHADHM CCc1cccc(C(=O)N2CCC(CC(F)(F)F)CC2)c1[O-] ZINC000552786196 341404368 /nfs/dbraw/zinc/40/43/68/341404368.db2.gz RNYAABKSMWDHQV-UHFFFAOYSA-N -1 3 315.335 3.759 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC000252116354 341423646 /nfs/dbraw/zinc/42/36/46/341423646.db2.gz IPOUJGQULGNARA-NRUUGDAUSA-N -1 3 319.829 3.582 20 0 DHADHM O=C([N-]c1cccc(F)c1F)c1coc(-c2ccccc2)n1 ZINC000152794339 341506189 /nfs/dbraw/zinc/50/61/89/341506189.db2.gz KLDFMFSDJJIJSQ-UHFFFAOYSA-N -1 3 300.264 3.872 20 0 DHADHM CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152847760 341508469 /nfs/dbraw/zinc/50/84/69/341508469.db2.gz SZIGWZNOSGSJJA-CQSZACIVSA-N -1 3 308.397 3.642 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1cncc([O-])c1 ZINC000565213653 341520294 /nfs/dbraw/zinc/52/02/94/341520294.db2.gz NBKBOIAUEIYWGH-GOSISDBHSA-N -1 3 312.413 3.542 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CSc2ccccc21 ZINC000153441520 341540649 /nfs/dbraw/zinc/54/06/49/341540649.db2.gz LGDJHVGAFJLSPW-LLVKDONJSA-N -1 3 305.786 3.874 20 0 DHADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000567181211 341584706 /nfs/dbraw/zinc/58/47/06/341584706.db2.gz POHQSLBVPJJCNI-RYUDHWBXSA-N -1 3 303.402 3.634 20 0 DHADHM C[C@H](CCC1CCCCC1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568198569 341658136 /nfs/dbraw/zinc/65/81/36/341658136.db2.gz CEKUDRLCOYGCHZ-GFCCVEGCSA-N -1 3 317.433 3.538 20 0 DHADHM CC(C)(C)[C@H]1CN(C(=O)Cc2cncc([O-])c2)c2ccccc21 ZINC000574053168 341747146 /nfs/dbraw/zinc/74/71/46/341747146.db2.gz MSAGYDCTJBTDCF-INIZCTEOSA-N -1 3 310.397 3.506 20 0 DHADHM Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192780441 341887556 /nfs/dbraw/zinc/88/75/56/341887556.db2.gz KHBMTNTXIJSZGH-STQMWFEESA-N -1 3 311.385 3.957 20 0 DHADHM CCCCn1ncc(C(=O)Nc2c([O-])cccc2Cl)c1C ZINC000577190917 341895749 /nfs/dbraw/zinc/89/57/49/341895749.db2.gz VMQWXSUVKCOBQN-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000176703937 341898217 /nfs/dbraw/zinc/89/82/17/341898217.db2.gz OOUVKNWEATZWAS-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM COc1ccc(NC(=O)c2cc(C)cc3c(C)ccnc23)c([O-])c1 ZINC000577543389 341916690 /nfs/dbraw/zinc/91/66/90/341916690.db2.gz SHSPWWIAGNRBES-UHFFFAOYSA-N -1 3 322.364 3.818 20 0 DHADHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178329734 341951812 /nfs/dbraw/zinc/95/18/12/341951812.db2.gz GDBILOKPLCFKHG-UHFFFAOYSA-N -1 3 315.344 3.750 20 0 DHADHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)[C@H]3CCCO3)on2)cc1 ZINC000339601950 519007559 /nfs/dbraw/zinc/00/75/59/519007559.db2.gz ZNRLEXSVKPSBHX-OAHLLOKOSA-N -1 3 314.385 3.757 20 0 DHADHM CC(C)Cn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C1CC1 ZINC000158647330 519536448 /nfs/dbraw/zinc/53/64/48/519536448.db2.gz CAJIBSHFLSOZPW-UHFFFAOYSA-N -1 3 317.364 3.514 20 0 DHADHM CC(C)CC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267885756 519616427 /nfs/dbraw/zinc/61/64/27/519616427.db2.gz XMPKXCCMBROKCN-UHFFFAOYSA-N -1 3 300.402 3.743 20 0 DHADHM CC(=O)OCCCc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000188535847 519756145 /nfs/dbraw/zinc/75/61/45/519756145.db2.gz GUCZEAMFXLXMSO-UHFFFAOYSA-N -1 3 317.360 3.639 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1cccc(C2SCCS2)c1 ZINC000158658547 519759395 /nfs/dbraw/zinc/75/93/95/519759395.db2.gz FTRGNWIBKIWRJN-UHFFFAOYSA-N -1 3 312.460 3.874 20 0 DHADHM CCCc1csc([N-]C(=O)c2occc2Br)n1 ZINC000126782738 521462732 /nfs/dbraw/zinc/46/27/32/521462732.db2.gz FRDAFJMKVIOROD-UHFFFAOYSA-N -1 3 315.192 3.703 20 0 DHADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)cn2)s1 ZINC000128102088 521637355 /nfs/dbraw/zinc/63/73/55/521637355.db2.gz IKDYASJBISCUSX-UHFFFAOYSA-N -1 3 310.810 3.742 20 0 DHADHM CC[C@@H](C)C(=O)Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000265761736 521902394 /nfs/dbraw/zinc/90/23/94/521902394.db2.gz BGSFZVFWWUUCIC-SECBINFHSA-N -1 3 306.431 3.852 20 0 DHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1 ZINC000180165954 522040627 /nfs/dbraw/zinc/04/06/27/522040627.db2.gz XTMGQUXEQNNZHK-NSHDSACASA-N -1 3 308.378 3.535 20 0 DHADHM CC[C@@H](NCc1cccc([O-])c1Cl)c1c(C)nn(C)c1C ZINC000339286570 522879327 /nfs/dbraw/zinc/87/93/27/522879327.db2.gz MSYCUOKJYYKERI-CYBMUJFWSA-N -1 3 307.825 3.637 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1oc2ccccc2c1COC ZINC000270439021 523062577 /nfs/dbraw/zinc/06/25/77/523062577.db2.gz WRIWUWLEMMUXBF-UHFFFAOYSA-N -1 3 314.341 3.690 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)c1F ZINC000181118326 525076467 /nfs/dbraw/zinc/07/64/67/525076467.db2.gz HYFNAUZXUUDWOT-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1cc([C@@H]2CCN(C(=O)c3cccc(C)c3[O-])C2)cs1 ZINC000368415981 525497008 /nfs/dbraw/zinc/49/70/08/525497008.db2.gz GQBGBWRPOIQBSA-CYBMUJFWSA-N -1 3 301.411 3.700 20 0 DHADHM CSCCc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000157302519 525601377 /nfs/dbraw/zinc/60/13/77/525601377.db2.gz JNVQXYWKSUNNFV-UHFFFAOYSA-N -1 3 322.352 3.598 20 0 DHADHM COc1cccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000365669808 525808083 /nfs/dbraw/zinc/80/80/83/525808083.db2.gz ANCKAPMHFDZEOE-AWEZNQCLSA-N -1 3 317.772 3.641 20 0 DHADHM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([O-])cc2Cl)o1 ZINC000366411375 525812209 /nfs/dbraw/zinc/81/22/09/525812209.db2.gz GOTCMPGCWXFKPF-HNNXBMFYSA-N -1 3 319.788 3.853 20 0 DHADHM Cc1c(NC([O-])=NO[C@@H]2CCCCO2)cccc1C(F)(F)F ZINC000162854296 525847444 /nfs/dbraw/zinc/84/74/44/525847444.db2.gz PKUNTAWDQPXLFE-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cccc1C(F)(F)F ZINC000162854296 525847454 /nfs/dbraw/zinc/84/74/54/525847454.db2.gz PKUNTAWDQPXLFE-GFCCVEGCSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000163671211 525879662 /nfs/dbraw/zinc/87/96/62/525879662.db2.gz CTHOSNNLPVWFRL-ZDUSSCGKSA-N -1 3 316.376 3.742 20 0 DHADHM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cccc([O-])c3)nc2c1 ZINC000182255383 526107174 /nfs/dbraw/zinc/10/71/74/526107174.db2.gz ZLTMEVXDVDHDBZ-QGZVFWFLSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)c([O-])c1 ZINC000371001124 526139184 /nfs/dbraw/zinc/13/91/84/526139184.db2.gz SANZZVRUMWDWMX-STQMWFEESA-N -1 3 301.411 3.780 20 0 DHADHM Cc1cnccc1NC(=O)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000107293143 526240077 /nfs/dbraw/zinc/24/00/77/526240077.db2.gz ATPGHNMAJOSDHK-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000339525558 526334495 /nfs/dbraw/zinc/33/44/95/526334495.db2.gz TTZISNTVLSRVDC-UHFFFAOYSA-N -1 3 315.266 3.562 20 0 DHADHM [O-]c1cccc(CNCc2cnn(-c3ccccc3)c2)c1Cl ZINC000339188909 526360645 /nfs/dbraw/zinc/36/06/45/526360645.db2.gz RUQFWQFYDXWLKD-UHFFFAOYSA-N -1 3 313.788 3.521 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccccc1 ZINC000163760796 526684989 /nfs/dbraw/zinc/68/49/89/526684989.db2.gz QJJOTRDYKKCTMH-MRXNPFEDSA-N -1 3 314.360 3.578 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1OC1CCCC1 ZINC000155781744 526851770 /nfs/dbraw/zinc/85/17/70/526851770.db2.gz KZXCFCBYBMCJRK-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1OC1CCCC1 ZINC000155781744 526851775 /nfs/dbraw/zinc/85/17/75/526851775.db2.gz KZXCFCBYBMCJRK-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000155947274 526852098 /nfs/dbraw/zinc/85/20/98/526852098.db2.gz UOVCUZCJHLOLSY-HNNXBMFYSA-N -1 3 318.398 3.995 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000155947274 526852103 /nfs/dbraw/zinc/85/21/03/526852103.db2.gz UOVCUZCJHLOLSY-HNNXBMFYSA-N -1 3 318.398 3.995 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000275167135 535628466 /nfs/dbraw/zinc/62/84/66/535628466.db2.gz BLRSEIKFXJFVII-SNVBAGLBSA-N -1 3 320.311 3.869 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000275167135 535628471 /nfs/dbraw/zinc/62/84/71/535628471.db2.gz BLRSEIKFXJFVII-SNVBAGLBSA-N -1 3 320.311 3.869 20 0 DHADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(OC)c(OC)c1 ZINC000285398137 535805517 /nfs/dbraw/zinc/80/55/17/535805517.db2.gz FAFWTOJUMDUJBH-MRXNPFEDSA-N -1 3 319.376 3.789 20 0 DHADHM Cc1ccc2oc(SCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737378521 598861897 /nfs/dbraw/zinc/86/18/97/598861897.db2.gz DAHOSJKGGVJZAH-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Cc1ccc2oc(SCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737378521 598861899 /nfs/dbraw/zinc/86/18/99/598861899.db2.gz DAHOSJKGGVJZAH-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Cc1ccc2oc(SCc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737378380 598862014 /nfs/dbraw/zinc/86/20/14/598862014.db2.gz ARGXFJSTEASTCP-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Cc1ccc2oc(SCc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737378380 598862015 /nfs/dbraw/zinc/86/20/15/598862015.db2.gz ARGXFJSTEASTCP-UHFFFAOYSA-N -1 3 323.381 3.609 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SC/C=C\c1ccccc1 ZINC000737645069 599174169 /nfs/dbraw/zinc/17/41/69/599174169.db2.gz PVBXNBJPYXJVHN-DAXSKMNVSA-N -1 3 312.373 3.811 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SC/C=C\c1ccccc1 ZINC000737645069 599174171 /nfs/dbraw/zinc/17/41/71/599174171.db2.gz PVBXNBJPYXJVHN-DAXSKMNVSA-N -1 3 312.373 3.811 20 0 DHADHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000818051860 597246038 /nfs/dbraw/zinc/24/60/38/597246038.db2.gz AXFDRIIZZWEXSM-CYBMUJFWSA-N -1 3 306.365 3.784 20 0 DHADHM CCCCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736451031 599276303 /nfs/dbraw/zinc/27/63/03/599276303.db2.gz FOIUTKBBCSDTOV-UHFFFAOYSA-N -1 3 306.435 3.559 20 0 DHADHM CC(C)Oc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735912638 598238951 /nfs/dbraw/zinc/23/89/51/598238951.db2.gz HIXFJPJCHZBGMG-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM CC(C)Oc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735912638 598238953 /nfs/dbraw/zinc/23/89/53/598238953.db2.gz HIXFJPJCHZBGMG-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM Fc1cccc(NCc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000737666586 598242283 /nfs/dbraw/zinc/24/22/83/598242283.db2.gz ZYOMQZJBTNBVDD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1cccc(NCc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000737666586 598242284 /nfs/dbraw/zinc/24/22/84/598242284.db2.gz ZYOMQZJBTNBVDD-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Clc1cccc(SCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737574524 598294046 /nfs/dbraw/zinc/29/40/46/598294046.db2.gz LHGZASPQIVJWLM-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1cccc(SCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737574524 598294047 /nfs/dbraw/zinc/29/40/47/598294047.db2.gz LHGZASPQIVJWLM-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc(OC(C)C)c1 ZINC000737221351 598394716 /nfs/dbraw/zinc/39/47/16/598394716.db2.gz JTDWBBUHHGLMTG-UHFFFAOYSA-N -1 3 324.384 3.541 20 0 DHADHM Clc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000737576538 598629367 /nfs/dbraw/zinc/62/93/67/598629367.db2.gz YSQVIXAXLMXRAI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000737576538 598629369 /nfs/dbraw/zinc/62/93/69/598629369.db2.gz YSQVIXAXLMXRAI-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737264476 598638079 /nfs/dbraw/zinc/63/80/79/598638079.db2.gz MNUMVIHJRPSGPV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737264476 598638080 /nfs/dbraw/zinc/63/80/80/598638080.db2.gz MNUMVIHJRPSGPV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737369522 598642995 /nfs/dbraw/zinc/64/29/95/598642995.db2.gz VWEMVQXKTRKPIJ-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737369522 598642997 /nfs/dbraw/zinc/64/29/97/598642997.db2.gz VWEMVQXKTRKPIJ-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1cccc(SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737411112 598646216 /nfs/dbraw/zinc/64/62/16/598646216.db2.gz JRYJSWJPDSDCTF-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1cccc(SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737411112 598646218 /nfs/dbraw/zinc/64/62/18/598646218.db2.gz JRYJSWJPDSDCTF-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735603208 598734486 /nfs/dbraw/zinc/73/44/86/598734486.db2.gz IJYDPWUPLFSISO-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM CC(C)(C)CCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735603208 598734485 /nfs/dbraw/zinc/73/44/85/598734485.db2.gz IJYDPWUPLFSISO-UHFFFAOYSA-N -1 3 321.812 3.675 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC000737418504 598774459 /nfs/dbraw/zinc/77/44/59/598774459.db2.gz BPQQQAMQUFGOAB-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@@H](CC(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC000737418504 598774461 /nfs/dbraw/zinc/77/44/61/598774461.db2.gz BPQQQAMQUFGOAB-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM C[C@@H](Nc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137455 599323627 /nfs/dbraw/zinc/32/36/27/599323627.db2.gz MQZOEAGLNUGVDT-CYBMUJFWSA-N -1 3 319.412 3.919 20 0 DHADHM C[C@@H](Nc1cccc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137455 599323629 /nfs/dbraw/zinc/32/36/29/599323629.db2.gz MQZOEAGLNUGVDT-CYBMUJFWSA-N -1 3 319.412 3.919 20 0 DHADHM Clc1ccc(Cl)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000218307073 599324676 /nfs/dbraw/zinc/32/46/76/599324676.db2.gz XJBQMSGWDFRRPY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(Cl)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000218307073 599324681 /nfs/dbraw/zinc/32/46/81/599324681.db2.gz XJBQMSGWDFRRPY-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737478625 599326626 /nfs/dbraw/zinc/32/66/26/599326626.db2.gz WZUFTIRJPJBKCL-VIFPVBQESA-N -1 3 317.443 3.626 20 0 DHADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737478625 599326629 /nfs/dbraw/zinc/32/66/29/599326629.db2.gz WZUFTIRJPJBKCL-VIFPVBQESA-N -1 3 317.443 3.626 20 0 DHADHM C[C@H](SCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190982 599330339 /nfs/dbraw/zinc/33/03/39/599330339.db2.gz UQQZJYPWLLMVQG-NSHDSACASA-N -1 3 316.455 3.965 20 0 DHADHM C[C@H](SCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190982 599330342 /nfs/dbraw/zinc/33/03/42/599330342.db2.gz UQQZJYPWLLMVQG-NSHDSACASA-N -1 3 316.455 3.965 20 0 DHADHM CO[C@H](C)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821674240 599374044 /nfs/dbraw/zinc/37/40/44/599374044.db2.gz YFOOIPKBQZRBTQ-CHWSQXEVSA-N -1 3 323.400 3.747 20 0 DHADHM CO[C@H](C)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821674240 599374046 /nfs/dbraw/zinc/37/40/46/599374046.db2.gz YFOOIPKBQZRBTQ-CHWSQXEVSA-N -1 3 323.400 3.747 20 0 DHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cc3ccccc3[nH]2)c1 ZINC000737571144 599420871 /nfs/dbraw/zinc/42/08/71/599420871.db2.gz TWQXYOINJHZQFX-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cc3ccccc3[nH]2)c1 ZINC000737571144 599420872 /nfs/dbraw/zinc/42/08/72/599420872.db2.gz TWQXYOINJHZQFX-UHFFFAOYSA-N -1 3 324.775 3.614 20 0 DHADHM Cc1ccc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000737340437 599426942 /nfs/dbraw/zinc/42/69/42/599426942.db2.gz FVZRDIRTIJPPPR-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM Cc1ccc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000737340437 599426944 /nfs/dbraw/zinc/42/69/44/599426944.db2.gz FVZRDIRTIJPPPR-UHFFFAOYSA-N -1 3 319.821 3.526 20 0 DHADHM CCc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821482196 599464965 /nfs/dbraw/zinc/46/49/65/599464965.db2.gz RGGDFLQITZSBGD-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821482196 599464967 /nfs/dbraw/zinc/46/49/67/599464967.db2.gz RGGDFLQITZSBGD-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1 ZINC000736389771 599522328 /nfs/dbraw/zinc/52/23/28/599522328.db2.gz FKLDLEGYPVPTJD-HNNXBMFYSA-N -1 3 324.409 3.620 20 0 DHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000736389771 599522329 /nfs/dbraw/zinc/52/23/29/599522329.db2.gz FKLDLEGYPVPTJD-HNNXBMFYSA-N -1 3 324.409 3.620 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000738127506 599774149 /nfs/dbraw/zinc/77/41/49/599774149.db2.gz KWRWUVSRLDRGQV-KRWDZBQOSA-N -1 3 311.381 3.731 20 0 DHADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000738718113 599792083 /nfs/dbraw/zinc/79/20/83/599792083.db2.gz XFQCFHGUWKCNKQ-HNNXBMFYSA-N -1 3 323.314 3.929 20 0 DHADHM O=C([O-])c1occc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000740282358 599794022 /nfs/dbraw/zinc/79/40/22/599794022.db2.gz UXBAYGPAZQIAEA-OAHLLOKOSA-N -1 3 303.333 3.748 20 0 DHADHM Cc1ccc([C@H](NCC(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000738261546 599854835 /nfs/dbraw/zinc/85/48/35/599854835.db2.gz NXRARQWXEWSJTJ-INIZCTEOSA-N -1 3 307.752 3.551 20 0 DHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000736718628 599893907 /nfs/dbraw/zinc/89/39/07/599893907.db2.gz RTZMGELHXBXBRT-SUMWQHHRSA-N -1 3 315.369 3.502 20 0 DHADHM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000086725513 600092783 /nfs/dbraw/zinc/09/27/83/600092783.db2.gz FVZIHUWWMJKMJS-NSHDSACASA-N -1 3 304.415 3.651 20 0 DHADHM O=C([O-])c1occc1CN1CCC(Cc2ccccc2F)CC1 ZINC000576352835 600337990 /nfs/dbraw/zinc/33/79/90/600337990.db2.gz FGKBJUBXDCYQJL-UHFFFAOYSA-N -1 3 317.360 3.572 20 0 DHADHM O=C([O-])c1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000666573382 600411958 /nfs/dbraw/zinc/41/19/58/600411958.db2.gz DQALYSNTZMFKBK-QGZVFWFLSA-N -1 3 313.422 3.675 20 0 DHADHM O=C([O-])[C@@H](N[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000739506365 600429565 /nfs/dbraw/zinc/42/95/65/600429565.db2.gz FQSBLQGSVPAYEV-ZBFHGGJFSA-N -1 3 317.385 3.778 20 0 DHADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951509 600430073 /nfs/dbraw/zinc/43/00/73/600430073.db2.gz WLVKHLUWIRGYOH-MEDUHNTESA-N -1 3 319.788 3.825 20 0 DHADHM Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738583748 600443061 /nfs/dbraw/zinc/44/30/61/600443061.db2.gz RARGYLFWHJFRLJ-AWEZNQCLSA-N -1 3 303.358 3.997 20 0 DHADHM Cc1cccnc1[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)C(C)C ZINC000738785784 600555793 /nfs/dbraw/zinc/55/57/93/600555793.db2.gz MGLYLMLYDBCHBK-NVXWUHKLSA-N -1 3 316.376 3.642 20 0 DHADHM CCC[C@@](C)(NCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000314222297 600627063 /nfs/dbraw/zinc/62/70/63/600627063.db2.gz BBIDSCOIIRHKNZ-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM Cc1cc([C@@H](NCC(=O)[O-])c2ccccc2Cl)ccc1F ZINC000738217584 600681033 /nfs/dbraw/zinc/68/10/33/600681033.db2.gz KMYZPIFXPOGLGS-MRXNPFEDSA-N -1 3 307.752 3.551 20 0 DHADHM O=C([O-])[C@@H](NCCc1ccco1)c1ccc(Cl)cc1Cl ZINC000833165830 600732803 /nfs/dbraw/zinc/73/28/03/600732803.db2.gz LXGPYGHSBXXJIS-ZDUSSCGKSA-N -1 3 314.168 3.544 20 0 DHADHM CCc1nc(C)c([C@H](C)N(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000262946181 600965530 /nfs/dbraw/zinc/96/55/30/600965530.db2.gz AHSUTSAAERYSLM-LBPRGKRZSA-N -1 3 318.442 3.905 20 0 DHADHM CC(C)[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826717622 600983231 /nfs/dbraw/zinc/98/32/31/600983231.db2.gz UECYPTSDURBGGW-IAGOWNOFSA-N -1 3 301.361 3.938 20 0 DHADHM C[C@@H]1CCN(Cc2occc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000576950940 601117890 /nfs/dbraw/zinc/11/78/90/601117890.db2.gz UHCPSMZQBOGYDU-BDJLRTHQSA-N -1 3 303.333 3.700 20 0 DHADHM Cc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000832871689 601370429 /nfs/dbraw/zinc/37/04/29/601370429.db2.gz VOVQORFIRKTYGI-BZNIZROVSA-N -1 3 305.324 3.750 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cccs1 ZINC000566359709 601410931 /nfs/dbraw/zinc/41/09/31/601410931.db2.gz WBHMFEZEYVLCLM-GFCCVEGCSA-N -1 3 305.399 3.939 20 0 DHADHM CCc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000318874438 601613594 /nfs/dbraw/zinc/61/35/94/601613594.db2.gz QPHCPSQWQWMQFZ-GFCCVEGCSA-N -1 3 301.361 3.937 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)cc1F ZINC000581023303 601614497 /nfs/dbraw/zinc/61/44/97/601614497.db2.gz LYRFGMLGZFABNO-CQSZACIVSA-N -1 3 305.374 3.923 20 0 DHADHM O=C([O-])c1sccc1CN(Cc1ccco1)C1CCCC1 ZINC000565101656 601807709 /nfs/dbraw/zinc/80/77/09/601807709.db2.gz RXXOPTJIQIZWIG-UHFFFAOYSA-N -1 3 305.399 3.984 20 0 DHADHM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832968112 601901915 /nfs/dbraw/zinc/90/19/15/601901915.db2.gz RBCDEGKZOSQMMS-MRXNPFEDSA-N -1 3 323.314 3.670 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])s1)[C@H](C)c1cccc(O)c1 ZINC000829719164 601957106 /nfs/dbraw/zinc/95/71/06/601957106.db2.gz ZYHLHYKRZNCURH-LLVKDONJSA-N -1 3 305.399 3.735 20 0 DHADHM Cc1cc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)c(C)s1 ZINC000829980830 603535818 /nfs/dbraw/zinc/53/58/18/603535818.db2.gz REYBCLFJLPVYIS-SNVBAGLBSA-N -1 3 305.403 3.701 20 0 DHADHM c1cc2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000826516519 607688359 /nfs/dbraw/zinc/68/83/59/607688359.db2.gz NOXWHVMTKDMDBW-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM c1cc2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000826516519 607688360 /nfs/dbraw/zinc/68/83/60/607688360.db2.gz NOXWHVMTKDMDBW-UHFFFAOYSA-N -1 3 307.382 3.694 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CNC(c2ccccc2)c2ccccc2)O1 ZINC000833578515 604833243 /nfs/dbraw/zinc/83/32/43/604833243.db2.gz LHQYLEYTVXKVLE-QGZVFWFLSA-N -1 3 323.392 3.513 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000827717716 604985631 /nfs/dbraw/zinc/98/56/31/604985631.db2.gz LGFGDLJFTMIRFX-HZMBPMFUSA-N -1 3 324.302 3.577 20 0 DHADHM CCSc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830169710 604999110 /nfs/dbraw/zinc/99/91/10/604999110.db2.gz WLIBOCIUZUQRIT-MLGOLLRUSA-N -1 3 316.426 3.670 20 0 DHADHM CC(C)(C)OCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833445688 605064255 /nfs/dbraw/zinc/06/42/55/605064255.db2.gz LSDMVPNPKNJSEQ-LBPRGKRZSA-N -1 3 320.216 3.524 20 0 DHADHM CCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833663477 605066743 /nfs/dbraw/zinc/06/67/43/605066743.db2.gz LGFDZSWHWBPEGW-LBPRGKRZSA-N -1 3 317.360 3.773 20 0 DHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2ccccc2CC(=O)[O-])s1 ZINC000833755020 605068225 /nfs/dbraw/zinc/06/82/25/605068225.db2.gz VPAYVJXKOCDULK-GFCCVEGCSA-N -1 3 318.442 3.580 20 0 DHADHM CC(C)(NCc1ccsc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833460913 605170567 /nfs/dbraw/zinc/17/05/67/605170567.db2.gz OJGVJFCSNBDZBD-UHFFFAOYSA-N -1 3 311.353 3.749 20 0 DHADHM CC(C)(NCc1ccccc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC000833460924 605170605 /nfs/dbraw/zinc/17/06/05/605170605.db2.gz OSVXVKAHSVNCSE-UHFFFAOYSA-N -1 3 319.351 3.617 20 0 DHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccoc1C(=O)[O-] ZINC000833617462 605217771 /nfs/dbraw/zinc/21/77/71/605217771.db2.gz RXKRZKSUBIIQHF-BMIGLBTASA-N -1 3 303.333 3.530 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167052038 605547687 /nfs/dbraw/zinc/54/76/87/605547687.db2.gz AKBUCLUTFIDWIH-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM O=C([O-])Nc1cccc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000834269570 605601296 /nfs/dbraw/zinc/60/12/96/605601296.db2.gz ZBHFNPQZWVQAOB-UHFFFAOYSA-N -1 3 302.296 3.551 20 0 DHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C(=O)[O-] ZINC000833604322 605730904 /nfs/dbraw/zinc/73/09/04/605730904.db2.gz DREYDGYPTQYRFL-JQWIXIFHSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@@H](NCC[C@H](C)NC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000833805579 605848548 /nfs/dbraw/zinc/84/85/48/605848548.db2.gz RGCHTQAXJDWUGN-NWDGAFQWSA-N -1 3 319.430 3.507 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051081 606603083 /nfs/dbraw/zinc/60/30/83/606603083.db2.gz KQWQPVJILJNBBZ-GFCCVEGCSA-N -1 3 316.405 3.543 20 0 DHADHM CC(C)CC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051081 606603085 /nfs/dbraw/zinc/60/30/85/606603085.db2.gz KQWQPVJILJNBBZ-GFCCVEGCSA-N -1 3 316.405 3.543 20 0 DHADHM Clc1ccc(Cl)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822574618 606632623 /nfs/dbraw/zinc/63/26/23/606632623.db2.gz WLLJTUBJFNZPFJ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(Cl)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822574618 606632624 /nfs/dbraw/zinc/63/26/24/606632624.db2.gz WLLJTUBJFNZPFJ-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM CC(C)(C)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819958446 606635757 /nfs/dbraw/zinc/63/57/57/606635757.db2.gz LISYACVYFBOPSC-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM CC(C)(C)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819958446 606635758 /nfs/dbraw/zinc/63/57/58/606635758.db2.gz LISYACVYFBOPSC-UHFFFAOYSA-N -1 3 307.401 3.776 20 0 DHADHM Cc1cccc([C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C)c1 ZINC000822288924 606643615 /nfs/dbraw/zinc/64/36/15/606643615.db2.gz NHPJEBKQUNCHRJ-OAHLLOKOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C)c1 ZINC000822288924 606643616 /nfs/dbraw/zinc/64/36/16/606643616.db2.gz NHPJEBKQUNCHRJ-OAHLLOKOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000822229640 606734120 /nfs/dbraw/zinc/73/41/20/606734120.db2.gz YJHRIYDMSSGTPL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000822229640 606734122 /nfs/dbraw/zinc/73/41/22/606734122.db2.gz YJHRIYDMSSGTPL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM c1ccc2sc(Sc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823763092 606945530 /nfs/dbraw/zinc/94/55/30/606945530.db2.gz YVZSPECLMMQZHT-UHFFFAOYSA-N -1 3 311.395 3.628 20 0 DHADHM c1ccc2sc(Sc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823763092 606945531 /nfs/dbraw/zinc/94/55/31/606945531.db2.gz YVZSPECLMMQZHT-UHFFFAOYSA-N -1 3 311.395 3.628 20 0 DHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccc(F)c(F)c2)c1 ZINC000822757672 607038781 /nfs/dbraw/zinc/03/87/81/607038781.db2.gz CBSSVPPUKNVFTJ-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccc(F)c(F)c2)c1 ZINC000822757672 607038782 /nfs/dbraw/zinc/03/87/82/607038782.db2.gz CBSSVPPUKNVFTJ-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM CSc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826230665 608390627 /nfs/dbraw/zinc/39/06/27/608390627.db2.gz DUMGWJKKGGHNHY-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230665 608390629 /nfs/dbraw/zinc/39/06/29/608390629.db2.gz DUMGWJKKGGHNHY-UHFFFAOYSA-N -1 3 311.414 3.509 20 0 DHADHM CSc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1C ZINC000826230899 608429779 /nfs/dbraw/zinc/42/97/79/608429779.db2.gz OCLNTJNPJFGMBR-UHFFFAOYSA-N -1 3 317.443 3.571 20 0 DHADHM CSc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826231051 609161478 /nfs/dbraw/zinc/16/14/78/609161478.db2.gz UZNPVIMOHQGIEX-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM CSc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826231051 609161479 /nfs/dbraw/zinc/16/14/79/609161479.db2.gz UZNPVIMOHQGIEX-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826291695 609161601 /nfs/dbraw/zinc/16/16/01/609161601.db2.gz RFPDQFIQTYJILJ-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826291695 609161603 /nfs/dbraw/zinc/16/16/03/609161603.db2.gz RFPDQFIQTYJILJ-KRWDZBQOSA-N -1 3 305.385 3.665 20 0 DHADHM FCc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826370464 609268440 /nfs/dbraw/zinc/26/84/40/609268440.db2.gz UMSPLRSTSPTITG-UHFFFAOYSA-N -1 3 318.739 3.569 20 0 DHADHM FCc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826370464 609268441 /nfs/dbraw/zinc/26/84/41/609268441.db2.gz UMSPLRSTSPTITG-UHFFFAOYSA-N -1 3 318.739 3.569 20 0 DHADHM Cc1ccc(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826284835 609272813 /nfs/dbraw/zinc/27/28/13/609272813.db2.gz HLSIYZCPIOTNPH-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826284835 609272815 /nfs/dbraw/zinc/27/28/15/609272815.db2.gz HLSIYZCPIOTNPH-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650626 609273166 /nfs/dbraw/zinc/27/31/66/609273166.db2.gz UBNCJRDIDKYTGD-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650626 609273168 /nfs/dbraw/zinc/27/31/68/609273168.db2.gz UBNCJRDIDKYTGD-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM CCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825723303 609346259 /nfs/dbraw/zinc/34/62/59/609346259.db2.gz XBNJIFQEUUYQTR-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825723303 609346261 /nfs/dbraw/zinc/34/62/61/609346261.db2.gz XBNJIFQEUUYQTR-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cccc(F)c1F ZINC000105933575 1032057716 /nfs/dbraw/zinc/05/77/16/1032057716.db2.gz ITKOGWRYFJDWTG-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM O=C([O-])C1(NCc2nccc(Cl)c2Cl)CCCCCC1 ZINC001601721556 971045260 /nfs/dbraw/zinc/04/52/60/971045260.db2.gz BJEXNXGYQDZPHJ-UHFFFAOYSA-N -1 3 317.216 3.656 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001576217340 950760558 /nfs/dbraw/zinc/76/05/58/950760558.db2.gz NCBFPNPOAFRHTG-DIFFPNOSSA-N -1 3 323.375 3.741 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001576217340 950760569 /nfs/dbraw/zinc/76/05/69/950760569.db2.gz NCBFPNPOAFRHTG-DIFFPNOSSA-N -1 3 323.375 3.741 20 0 DHADHM O=C([O-])[C@@H](NCc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC001594844218 954118274 /nfs/dbraw/zinc/11/82/74/954118274.db2.gz RNCNIEDZRPUJSA-AWEZNQCLSA-N -1 3 309.287 3.679 20 0 DHADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086814269 957996152 /nfs/dbraw/zinc/99/61/52/957996152.db2.gz DRGUYHULXWEZEJ-ZDUSSCGKSA-N -1 3 302.201 3.823 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000339958684 1013167999 /nfs/dbraw/zinc/16/79/99/1013167999.db2.gz JPPJTKGWBHZWGZ-ZDUSSCGKSA-N -1 3 315.756 3.744 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594360777 958446084 /nfs/dbraw/zinc/44/60/84/958446084.db2.gz AZMDMKCWLDKTHI-HNNXBMFYSA-N -1 3 307.752 3.703 20 0 DHADHM Cc1cccc([C@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC001594397053 958777951 /nfs/dbraw/zinc/77/79/51/958777951.db2.gz DVJVPAYUWHWNJM-SFHVURJKSA-N -1 3 313.397 3.698 20 0 DHADHM CS[C@@H]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001328743933 961224645 /nfs/dbraw/zinc/22/46/45/961224645.db2.gz JPQKKGMLPQLYGW-QWHCGFSZSA-N -1 3 313.850 3.754 20 0 DHADHM CCOc1cccc(Cl)c1CN1CCCC[C@H]1CC(=O)[O-] ZINC001573924580 961541638 /nfs/dbraw/zinc/54/16/38/961541638.db2.gz KVZRWKRXLOPCGQ-LBPRGKRZSA-N -1 3 311.809 3.568 20 0 DHADHM C[C@@H]1CC[C@](CNCc2csc(C(C)(C)C)n2)(CC(=O)[O-])C1 ZINC000426642112 1013327629 /nfs/dbraw/zinc/32/76/29/1013327629.db2.gz FLQXKTHXSXQGET-SJKOYZFVSA-N -1 3 324.490 3.811 20 0 DHADHM O=C(NCCc1ccccc1Cl)c1cc([O-])ccc1Cl ZINC000683376286 1013354409 /nfs/dbraw/zinc/35/44/09/1013354409.db2.gz KWHSPVIQZAYJAS-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263411609 962578640 /nfs/dbraw/zinc/57/86/40/962578640.db2.gz LOWIWAGNLIESMG-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM COCCCCc1cccnc1NCc1ccc([O-])c(F)c1 ZINC000894577052 1013425607 /nfs/dbraw/zinc/42/56/07/1013425607.db2.gz OFEHKEFWTFFIOQ-UHFFFAOYSA-N -1 3 304.365 3.508 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000890795538 1013483490 /nfs/dbraw/zinc/48/34/90/1013483490.db2.gz WLLYGGUKQLPZMM-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM CCCOc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426683210 1013496488 /nfs/dbraw/zinc/49/64/88/1013496488.db2.gz PQZYKXGVWTWHMG-MRXNPFEDSA-N -1 3 319.426 3.843 20 0 DHADHM CC(C)Oc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000343245617 1013785241 /nfs/dbraw/zinc/78/52/41/1013785241.db2.gz SPJLSWHBSVVPBZ-UHFFFAOYSA-N -1 3 322.364 3.568 20 0 DHADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000650806503 968608190 /nfs/dbraw/zinc/60/81/90/968608190.db2.gz AWBJMFQLYJYQJD-LLVKDONJSA-N -1 3 309.715 3.654 20 0 DHADHM CSc1ccccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652471211 968636104 /nfs/dbraw/zinc/63/61/04/968636104.db2.gz WZEGTOROEKHFAM-INIZCTEOSA-N -1 3 313.422 3.593 20 0 DHADHM CCC1(CC)CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000331247959 1013870233 /nfs/dbraw/zinc/87/02/33/1013870233.db2.gz WGUGZIHPKLUOAU-UHFFFAOYSA-N -1 3 303.402 3.637 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2CC(C)(C)C)cc1[O-] ZINC000331360264 1013878571 /nfs/dbraw/zinc/87/85/71/1013878571.db2.gz XPENHZUMQSZGSD-AWEZNQCLSA-N -1 3 303.402 3.636 20 0 DHADHM CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000580014168 1013888302 /nfs/dbraw/zinc/88/83/02/1013888302.db2.gz YNTPRIYNWVTZSB-CQSZACIVSA-N -1 3 322.424 3.889 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3n(n2)CCCC3)CC)n1 ZINC000656104764 1013998790 /nfs/dbraw/zinc/99/87/90/1013998790.db2.gz DGVKTUYNLOITSJ-RAXLEYEMSA-N -1 3 312.417 3.618 20 0 DHADHM C[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000319204736 970514451 /nfs/dbraw/zinc/51/44/51/970514451.db2.gz FJBRTDCSUYZNDK-KDOFPFPSSA-N -1 3 301.430 3.887 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2nccc3ccccc32)c2ccccc21 ZINC001605982912 973018350 /nfs/dbraw/zinc/01/83/50/973018350.db2.gz FMMFQTNEPIMMRW-MSOLQXFVSA-N -1 3 318.376 3.638 20 0 DHADHM CC(C)Cc1nsc([N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000656226846 1014153376 /nfs/dbraw/zinc/15/33/76/1014153376.db2.gz JKIYSPMTXYLATP-ZJUUUORDSA-N -1 3 323.384 3.649 20 0 DHADHM CCc1ccc(-c2nc(COc3ccc(F)cc3)no2)c([O-])c1 ZINC000189188341 1014157113 /nfs/dbraw/zinc/15/71/13/1014157113.db2.gz CHRVFYPUBNKEOS-UHFFFAOYSA-N -1 3 314.316 3.723 20 0 DHADHM CCN(CCOc1ccccc1C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000521070843 974343904 /nfs/dbraw/zinc/34/39/04/974343904.db2.gz MXKALDKMOLGJJR-CQSZACIVSA-N -1 3 317.385 3.748 20 0 DHADHM C[C@@H]1CC[C@H](C)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000564662337 974551363 /nfs/dbraw/zinc/55/13/63/974551363.db2.gz YKRXYUDDTMZESB-NWDGAFQWSA-N -1 3 311.809 3.537 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])cc1Br ZINC000573330976 974764653 /nfs/dbraw/zinc/76/46/53/974764653.db2.gz HKTNAWQVQKIGHG-AOOOYVTPSA-N -1 3 312.207 3.520 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C1(CC)CC ZINC000575809699 974802312 /nfs/dbraw/zinc/80/23/12/974802312.db2.gz DICPGIAJAXSKLS-JKSUJKDBSA-N -1 3 323.433 3.702 20 0 DHADHM CC[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581076892 974904652 /nfs/dbraw/zinc/90/46/52/974904652.db2.gz HTRQBCZGVVNIIV-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H](C)c1cccc(OC)c1 ZINC000652397135 975520365 /nfs/dbraw/zinc/52/03/65/975520365.db2.gz XYGAPIBEAWTLKB-LBPRGKRZSA-N -1 3 317.385 3.878 20 0 DHADHM O=C([O-])[C@H]1CN(CC[C@H]2CCc3ccccc32)Cc2ccccc21 ZINC000659788704 975875196 /nfs/dbraw/zinc/87/51/96/975875196.db2.gz MFJSRJAQRWZUQF-UZLBHIALSA-N -1 3 321.420 3.791 20 0 DHADHM CC(C)c1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000663260111 975938281 /nfs/dbraw/zinc/93/82/81/975938281.db2.gz NGAMUWDOYUSZRJ-KRWDZBQOSA-N -1 3 301.361 3.865 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1csc(C2CCCC2)n1)C1CC1 ZINC001592330063 977764093 /nfs/dbraw/zinc/76/40/93/977764093.db2.gz QBKCEGATDCGAQS-INIZCTEOSA-N -1 3 308.447 3.534 20 0 DHADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1nccs1 ZINC000349848841 1014470268 /nfs/dbraw/zinc/47/02/68/1014470268.db2.gz AXQCVQSKTLOCTO-UHFFFAOYSA-N -1 3 312.394 3.667 20 0 DHADHM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736494268 978339522 /nfs/dbraw/zinc/33/95/22/978339522.db2.gz KUFYGGOHJZURRR-QGZVFWFLSA-N -1 3 317.360 3.528 20 0 DHADHM COC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000191042346 1014553485 /nfs/dbraw/zinc/55/34/85/1014553485.db2.gz GRUICALXNUGHBE-CQSZACIVSA-N -1 3 309.768 3.662 20 0 DHADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000427946458 1014554467 /nfs/dbraw/zinc/55/44/67/1014554467.db2.gz ORXBRWFHHYRZNQ-SNVBAGLBSA-N -1 3 307.752 3.605 20 0 DHADHM CCC(CC)(CN[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC001595077142 979350589 /nfs/dbraw/zinc/35/05/89/979350589.db2.gz ADALTJKWQQGZJK-ZDUSSCGKSA-N -1 3 316.401 3.883 20 0 DHADHM CCC(CC)(CNCc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC001595079438 979363052 /nfs/dbraw/zinc/36/30/52/979363052.db2.gz MEYVQHKNMRAPTQ-UHFFFAOYSA-N -1 3 322.430 3.692 20 0 DHADHM O=C([O-])Cc1ccccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000846233665 979415108 /nfs/dbraw/zinc/41/51/08/979415108.db2.gz SUMAZBXLKBUKJX-UHFFFAOYSA-N -1 3 313.372 3.617 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(F)c(F)c1F ZINC000581161052 1014593762 /nfs/dbraw/zinc/59/37/62/1014593762.db2.gz YLZSHJPZQHJGLG-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM CCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000520835148 1014599372 /nfs/dbraw/zinc/59/93/72/1014599372.db2.gz ZHMSEHYOMCTBRK-CQSZACIVSA-N -1 3 317.433 3.538 20 0 DHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1csc(C3CCCC3)n1)CC2 ZINC000872169619 980073035 /nfs/dbraw/zinc/07/30/35/980073035.db2.gz TYMLSXJAWIHQLU-PBHICJAKSA-N -1 3 320.458 3.630 20 0 DHADHM [O-]c1c(-c2nc([C@H]3CCCN3)no2)cc(Cl)c2ccccc12 ZINC000647147081 1014638537 /nfs/dbraw/zinc/63/85/37/1014638537.db2.gz JTLHDVFFBAZKAC-CYBMUJFWSA-N -1 3 315.760 3.673 20 0 DHADHM CC[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)s1 ZINC001595298735 980420440 /nfs/dbraw/zinc/42/04/40/980420440.db2.gz AWCKPPQRNDUYBR-SNVBAGLBSA-N -1 3 312.822 3.679 20 0 DHADHM C[C@H](CCc1ccsc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908181 980621477 /nfs/dbraw/zinc/62/14/77/980621477.db2.gz QFHHIVDYNUNQGM-NXEZZACHSA-N -1 3 310.444 3.575 20 0 DHADHM C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901911325 980623494 /nfs/dbraw/zinc/62/34/94/980623494.db2.gz JQMRALVTICESNH-IACUBPJLSA-N -1 3 316.426 3.828 20 0 DHADHM CC(C)Oc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902178333 980771159 /nfs/dbraw/zinc/77/11/59/980771159.db2.gz UFHRSYQSSJXLSS-LBPRGKRZSA-N -1 3 303.358 3.616 20 0 DHADHM CC[C@@H](NCCC(C)(C)C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000902364200 980854155 /nfs/dbraw/zinc/85/41/55/980854155.db2.gz NVXJTPROOYMODP-MRVPVSSYSA-N -1 3 324.368 3.704 20 0 DHADHM O=C([O-])c1cc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cs1 ZINC000903625362 981000890 /nfs/dbraw/zinc/00/08/90/981000890.db2.gz KNDSQQABPOHLIJ-GWCFXTLKSA-N -1 3 319.348 3.611 20 0 DHADHM O=C([O-])c1ccc2[nH]cc(C3CCN(C/C=C/Cl)CC3)c2c1 ZINC000903635387 981010333 /nfs/dbraw/zinc/01/03/33/981010333.db2.gz FWLBIXVYYBVTKF-LZCJLJQNSA-N -1 3 318.804 3.798 20 0 DHADHM CCC(CC)n1nccc1C(=O)Nc1c([O-])cccc1Cl ZINC000581320106 1014705786 /nfs/dbraw/zinc/70/57/86/1014705786.db2.gz SSQFMIUTYIEYHP-UHFFFAOYSA-N -1 3 307.781 3.856 20 0 DHADHM COc1cccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000048383985 1014736053 /nfs/dbraw/zinc/73/60/53/1014736053.db2.gz VOQZZYCVVZWXEF-UHFFFAOYSA-N -1 3 313.397 3.796 20 0 DHADHM CCOc1cc(CNc2cnn(CC3CC3)c2)cc(Cl)c1[O-] ZINC000656513592 1014767786 /nfs/dbraw/zinc/76/77/86/1014767786.db2.gz NBTJWHOWLXAFRF-UHFFFAOYSA-N -1 3 321.808 3.663 20 0 DHADHM Cc1ccncc1[C@H](C)NCc1cccc([O-])c1Br ZINC000656518057 1014772359 /nfs/dbraw/zinc/77/23/59/1014772359.db2.gz OPWULRZLPUUROZ-NSHDSACASA-N -1 3 321.218 3.709 20 0 DHADHM CC[C@H](C)[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594931547 982568129 /nfs/dbraw/zinc/56/81/29/982568129.db2.gz RLNSGQHKZDLERF-BLLLJJGKSA-N -1 3 315.417 3.662 20 0 DHADHM CCN(Cc1csc(C(=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC001596378666 983898244 /nfs/dbraw/zinc/89/82/44/983898244.db2.gz YZLPUNMGJXXGEW-LLVKDONJSA-N -1 3 305.399 3.735 20 0 DHADHM CSc1nc(NC(=O)c2ccc(C(C)(C)C)c(Cl)c2)n[n-]1 ZINC000581578243 1015013498 /nfs/dbraw/zinc/01/34/98/1015013498.db2.gz SQJXIBKUCNKOKX-UHFFFAOYSA-N -1 3 324.837 3.730 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000094156083 1015027522 /nfs/dbraw/zinc/02/75/22/1015027522.db2.gz QLCTXFANZOISRI-GOSISDBHSA-N -1 3 324.424 3.744 20 0 DHADHM C/C(=C\CN(Cc1ccccc1)Cc1ccc(F)cc1)C(=O)[O-] ZINC001588959176 984720377 /nfs/dbraw/zinc/72/03/77/984720377.db2.gz WJUKDKPSBAQGPM-RVDMUPIBSA-N -1 3 313.372 3.859 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1csc(-c2ccccc2)n1 ZINC000129677104 1015091537 /nfs/dbraw/zinc/09/15/37/1015091537.db2.gz KQDBZNRRGZHRAU-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000754720631 1015099918 /nfs/dbraw/zinc/09/99/18/1015099918.db2.gz MUOUCKWRJADSDT-AWEZNQCLSA-N -1 3 301.361 3.876 20 0 DHADHM C[C@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000754723667 1015110008 /nfs/dbraw/zinc/11/00/08/1015110008.db2.gz MBMGOHPMYKKMNC-GFCCVEGCSA-N -1 3 305.324 3.706 20 0 DHADHM C[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000754723669 1015112002 /nfs/dbraw/zinc/11/20/02/1015112002.db2.gz MBMGOHPMYKKMNC-LBPRGKRZSA-N -1 3 305.324 3.706 20 0 DHADHM C[C@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@]1(C)C(=O)[O-] ZINC001599931408 985321591 /nfs/dbraw/zinc/32/15/91/985321591.db2.gz LWANNCNGBRPKRU-SJCJKPOMSA-N -1 3 322.474 3.733 20 0 DHADHM CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC001596833753 985470753 /nfs/dbraw/zinc/47/07/53/985470753.db2.gz QCTQRQDLYUMGGU-UHOFOFEASA-N -1 3 321.417 3.756 20 0 DHADHM Cc1[nH]c(CN2C[C@H]3CCCC[C@]32c2ccccc2)cc1C(=O)[O-] ZINC001599961835 985797024 /nfs/dbraw/zinc/79/70/24/985797024.db2.gz JORMKQCASVAUAS-UZLBHIALSA-N -1 3 324.424 3.923 20 0 DHADHM Cc1[nH]c(CN2C[C@H]3CCCC[C@@]32c2ccccc2)cc1C(=O)[O-] ZINC001599961834 985797290 /nfs/dbraw/zinc/79/72/90/985797290.db2.gz JORMKQCASVAUAS-OXQOHEQNSA-N -1 3 324.424 3.923 20 0 DHADHM CCOc1ccccc1[C@@H](CC)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001597173282 987015677 /nfs/dbraw/zinc/01/56/77/987015677.db2.gz SHGVPHRTAVRPPN-SJLPKXTDSA-N -1 3 313.397 3.952 20 0 DHADHM CCSc1ccc(CN[C@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001597272311 987319955 /nfs/dbraw/zinc/31/99/55/987319955.db2.gz DEQIXYJYSQYUPT-GFCCVEGCSA-N -1 3 316.426 3.743 20 0 DHADHM CCSc1cccc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001597277389 987334808 /nfs/dbraw/zinc/33/48/08/987334808.db2.gz ORGCMLDFNRAJGC-LBPRGKRZSA-N -1 3 316.426 3.743 20 0 DHADHM CC[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001597349327 987484775 /nfs/dbraw/zinc/48/47/75/987484775.db2.gz GSFVAAUWTRQKIE-HOTGVXAUSA-N -1 3 305.324 3.831 20 0 DHADHM CCc1[nH]c(CNC2(c3ccccc3C)CCC2)cc1C(=O)[O-] ZINC001597391300 987620411 /nfs/dbraw/zinc/62/04/11/987620411.db2.gz JTOSRCKDVCZQFO-UHFFFAOYSA-N -1 3 312.413 3.753 20 0 DHADHM CCc1[nH]c(CNC2(c3ccc(F)cc3)CCC2)cc1C(=O)[O-] ZINC001597391663 987621298 /nfs/dbraw/zinc/62/12/98/987621298.db2.gz LLBLFRLELGWFLU-UHFFFAOYSA-N -1 3 316.376 3.583 20 0 DHADHM CC(C)(C)[C@@H](NCc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001589720323 987881637 /nfs/dbraw/zinc/88/16/37/987881637.db2.gz MQSRMIAQOKMSPT-ZDUSSCGKSA-N -1 3 322.792 3.584 20 0 DHADHM CSCC[C@@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001599795669 988093211 /nfs/dbraw/zinc/09/32/11/988093211.db2.gz SNTMXIQMVIXNFU-SNVBAGLBSA-N -1 3 301.839 3.612 20 0 DHADHM CCc1oc(CN(C)[C@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC001597792891 989336128 /nfs/dbraw/zinc/33/61/28/989336128.db2.gz KRZZCFBJTDHUBH-LLVKDONJSA-N -1 3 307.415 3.665 20 0 DHADHM O=c1cc(CSCC[C@@H]2CCCO2)nc(-c2ccccc2)[n-]1 ZINC000581933896 1015566563 /nfs/dbraw/zinc/56/65/63/1015566563.db2.gz DIBVYECLWFRJHC-HNNXBMFYSA-N -1 3 316.426 3.652 20 0 DHADHM CC1(C)CC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000840575203 1015677054 /nfs/dbraw/zinc/67/70/54/1015677054.db2.gz NOFOBKISSCGSNW-VIFPVBQESA-N -1 3 311.790 3.797 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccoc2)n1 ZINC000341735669 1015711852 /nfs/dbraw/zinc/71/18/52/1015711852.db2.gz WXMFLWSFGVSJBK-UHFFFAOYSA-N -1 3 306.293 3.934 20 0 DHADHM CN(Cc1ccc2cc[nH]c2c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001598510742 992566080 /nfs/dbraw/zinc/56/60/80/992566080.db2.gz WMCYVSPGAVTRKX-UHFFFAOYSA-N -1 3 312.344 3.637 20 0 DHADHM CC(C)N(Cc1ccc(C(=O)[O-])n1C)[C@H](C)c1ccsc1 ZINC001591596662 992824153 /nfs/dbraw/zinc/82/41/53/992824153.db2.gz KMRCYBLZOWWKOQ-GFCCVEGCSA-N -1 3 306.431 3.756 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000614725672 1015784570 /nfs/dbraw/zinc/78/45/70/1015784570.db2.gz YKAUHSUKOBIBPT-UHFFFAOYSA-N -1 3 311.259 3.693 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001599619811 994065347 /nfs/dbraw/zinc/06/53/47/994065347.db2.gz BZOMFXRKWIZWNX-PXAZEXFGSA-N -1 3 317.360 3.619 20 0 DHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC001593195071 994143872 /nfs/dbraw/zinc/14/38/72/994143872.db2.gz PJBTVYURHUFSQC-TVQRCGJNSA-N -1 3 312.291 3.510 20 0 DHADHM C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ccc(C(=O)[O-])o1 ZINC001593220442 994311617 /nfs/dbraw/zinc/31/16/17/994311617.db2.gz SICOHOQBBMFIQQ-NILFDRSVSA-N -1 3 321.417 3.755 20 0 DHADHM COc1cccc([C@@H](N[C@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC001599659982 994641792 /nfs/dbraw/zinc/64/17/92/994641792.db2.gz RNKAHXKZNMYODR-SJKOYZFVSA-N -1 3 317.360 3.619 20 0 DHADHM C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cncc(C(=O)[O-])c1 ZINC001593295783 994692277 /nfs/dbraw/zinc/69/22/77/994692277.db2.gz HMIZWTQBCZICKU-CYBMUJFWSA-N -1 3 312.413 3.928 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC001593304486 994747476 /nfs/dbraw/zinc/74/74/76/994747476.db2.gz MMUUBENGUSSQNC-NSHDSACASA-N -1 3 321.323 3.837 20 0 DHADHM O=C(C[C@H]1CCCc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000342063235 1015903649 /nfs/dbraw/zinc/90/36/49/1015903649.db2.gz NSNSOGVSTZRYJZ-CYBMUJFWSA-N -1 3 322.368 3.513 20 0 DHADHM C[C@H](Oc1ccccc1CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001593644342 995960640 /nfs/dbraw/zinc/96/06/40/995960640.db2.gz IBQOJYGPVXWPMH-HRCADAONSA-N -1 3 317.429 3.551 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](CC(F)(F)F)C1 ZINC001593690508 996136031 /nfs/dbraw/zinc/13/60/31/996136031.db2.gz RRAOSVGLSDMJGU-NXEZZACHSA-N -1 3 305.296 3.703 20 0 DHADHM COc1cc(CNCc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC001599415604 997503798 /nfs/dbraw/zinc/50/37/98/997503798.db2.gz VIYGBTWQAODCPU-UHFFFAOYSA-N -1 3 319.788 3.645 20 0 DHADHM COc1cc(Cl)c(CN(CCC(=O)[O-])C(C)C)cc1Cl ZINC001599418653 997555024 /nfs/dbraw/zinc/55/50/24/997555024.db2.gz MIJAPGJVZOYYLD-UHFFFAOYSA-N -1 3 320.216 3.687 20 0 DHADHM CC1=C(c2ccco2)CN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001594110342 998208562 /nfs/dbraw/zinc/20/85/62/998208562.db2.gz UGNULIXZZFOAKN-UHFFFAOYSA-N -1 3 315.344 3.796 20 0 DHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001594175423 998672699 /nfs/dbraw/zinc/67/26/99/998672699.db2.gz XHDMSVJLLMKZSL-GGZOMVNGSA-N -1 3 321.726 3.738 20 0 DHADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594213737 998824262 /nfs/dbraw/zinc/82/42/62/998824262.db2.gz FYCMBDYCDSMQSA-SCZZXKLOSA-N -1 3 307.337 3.609 20 0 DHADHM CC(C)(C)c1nc(CNC[C@@H](CC(=O)[O-])C(C)(C)C)cs1 ZINC000277389897 1016270861 /nfs/dbraw/zinc/27/08/61/1016270861.db2.gz RGQRMIYABDASSX-LLVKDONJSA-N -1 3 312.479 3.667 20 0 DHADHM C[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)[C@@H](C(=O)[O-])C1 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DHADHM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000444260633 1016904078 /nfs/dbraw/zinc/90/40/78/1016904078.db2.gz OXELOLGYMZYLRH-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000069446960 1016975308 /nfs/dbraw/zinc/97/53/08/1016975308.db2.gz SCLCLZHCVLGROS-UHFFFAOYSA-N -1 3 317.410 3.546 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000125303280 1017058432 /nfs/dbraw/zinc/05/84/32/1017058432.db2.gz VJSZAWJJVIZITD-NWDGAFQWSA-N -1 3 322.286 3.548 20 0 DHADHM CCC[C@](C)(CC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000476416047 1032172931 /nfs/dbraw/zinc/17/29/31/1032172931.db2.gz PPZFLKXGFGRJCO-KRWDZBQOSA-N -1 3 317.389 3.504 20 0 DHADHM CC(C)(C)O[N-]C(=O)CCCc1ccccc1Br ZINC000126078219 1032186952 /nfs/dbraw/zinc/18/69/52/1032186952.db2.gz OJPUHXJLYFKEEP-UHFFFAOYSA-N -1 3 314.223 3.618 20 0 DHADHM CC1(C)CCN(C(=O)Cc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001146774188 1032244063 /nfs/dbraw/zinc/24/40/63/1032244063.db2.gz 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1032409435 /nfs/dbraw/zinc/40/94/35/1032409435.db2.gz XLXBVEVISFDSLY-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCc1cccnc1 ZINC000897151053 1017096432 /nfs/dbraw/zinc/09/64/32/1017096432.db2.gz YFJSIIMFNYRZOI-UHFFFAOYSA-N -1 3 310.397 3.530 20 0 DHADHM CCOc1cc(C(=O)[N-]c2cccc(F)c2C(C)(F)F)on1 ZINC000828299422 1017309754 /nfs/dbraw/zinc/30/97/54/1017309754.db2.gz ZALXTBUCIARDEE-UHFFFAOYSA-N -1 3 314.263 3.576 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000614738196 1017311940 /nfs/dbraw/zinc/31/19/40/1017311940.db2.gz CEJQRXITEGCPDY-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCCCN(CC)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000049516134 1011956468 /nfs/dbraw/zinc/95/64/68/1011956468.db2.gz YNQIOYKZFFMGCI-UHFFFAOYSA-N -1 3 310.492 3.672 20 0 DHADHM Cc1cc2cc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])oc2cc1C ZINC000424425774 1012016729 /nfs/dbraw/zinc/01/67/29/1012016729.db2.gz ZOSGAVKMJSALMQ-APPDUMDISA-N -1 3 301.386 3.735 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000031722619 1012025291 /nfs/dbraw/zinc/02/52/91/1012025291.db2.gz YUXISOCWVWVRFB-UHFFFAOYSA-N -1 3 319.426 3.675 20 0 DHADHM CC(C)(C)c1ncc(CN[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000062838919 1012135202 /nfs/dbraw/zinc/13/52/02/1012135202.db2.gz KSRHYVBIENBSPA-NSHDSACASA-N -1 3 324.471 3.808 20 0 DHADHM O=[S@@](Cc1csc(-c2cccs2)n1)c1ccc([O-])cc1 ZINC000108084167 1012365965 /nfs/dbraw/zinc/36/59/65/1012365965.db2.gz WYZNQARZSFZEBQ-HXUWFJFHSA-N -1 3 321.448 3.885 20 0 DHADHM CC[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000514791261 1012439613 /nfs/dbraw/zinc/43/96/13/1012439613.db2.gz KQSLLKKYMZZXLG-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM O=[S@](Cc1nc(-c2ccccc2)cs1)c1ccc([O-])cc1 ZINC000435438425 1012519644 /nfs/dbraw/zinc/51/96/44/1012519644.db2.gz PTVBOJIRRITOPW-OAQYLSRUSA-N -1 3 315.419 3.824 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000515491322 1012646512 /nfs/dbraw/zinc/64/65/12/1012646512.db2.gz ASFWLNDTAOERCI-YMTOWFKASA-N -1 3 302.201 3.536 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C ZINC000032588518 1012780443 /nfs/dbraw/zinc/78/04/43/1012780443.db2.gz JMQLCHAPWFMEGK-UHFFFAOYSA-N -1 3 319.426 3.928 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(OC2CCCC2)c1 ZINC000154682822 1012943541 /nfs/dbraw/zinc/94/35/41/1012943541.db2.gz ZWMFQIPMPVUZST-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(OC2CCCC2)c1 ZINC000154682822 1012943554 /nfs/dbraw/zinc/94/35/54/1012943554.db2.gz ZWMFQIPMPVUZST-INIZCTEOSA-N -1 3 320.389 3.588 20 0 DHADHM CSc1ccc(-c2nsc([N-]C(=O)c3ccco3)n2)cc1 ZINC000075323373 1017301250 /nfs/dbraw/zinc/30/12/50/1017301250.db2.gz VIKHWNBOCPXXSL-UHFFFAOYSA-N -1 3 317.395 3.772 20 0 DHADHM O=C(CCOCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000339007985 1032701384 /nfs/dbraw/zinc/70/13/84/1032701384.db2.gz YVAJPHIGXHSPRW-UHFFFAOYSA-N -1 3 305.761 3.591 20 0 DHADHM Cc1cc2cc[nH]c2cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000444446466 1017506463 /nfs/dbraw/zinc/50/64/63/1017506463.db2.gz GHHGWJAVYWRDRT-UHFFFAOYSA-N -1 3 317.348 3.570 20 0 DHADHM CC(C)c1nsc([N-]C(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000874693929 1032708686 /nfs/dbraw/zinc/70/86/86/1032708686.db2.gz WIVDRMHDAOFZIJ-UHFFFAOYSA-N -1 3 321.349 3.994 20 0 DHADHM CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1cnoc1 ZINC000623943061 1017597482 /nfs/dbraw/zinc/59/74/82/1017597482.db2.gz DEWFUXJDMJHYFL-UHFFFAOYSA-N -1 3 300.314 3.598 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)c1F ZINC000181114934 1017723735 /nfs/dbraw/zinc/72/37/35/1017723735.db2.gz BKOKFXHASPOFDE-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CCC[C@H](NCc1nc(CC)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000181663476 1017783361 /nfs/dbraw/zinc/78/33/61/1017783361.db2.gz SUXJDXGHEIXNBH-HNNXBMFYSA-N -1 3 321.371 3.654 20 0 DHADHM Cc1cc(F)c(CNCCCCCCC(=O)[O-])c(Cl)c1 ZINC000840995469 1017798190 /nfs/dbraw/zinc/79/81/90/1017798190.db2.gz OKGVCMRDZIBXSI-UHFFFAOYSA-N -1 3 301.789 3.912 20 0 DHADHM CCc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000121420836 1017885552 /nfs/dbraw/zinc/88/55/52/1017885552.db2.gz YZQIUNRWWWKAKH-UHFFFAOYSA-N -1 3 317.439 3.549 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(Cc3cccc(C)c3)C2)c1 ZINC000674746317 1018120211 /nfs/dbraw/zinc/12/02/11/1018120211.db2.gz KPOOFBZNOXNAON-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM CCNc1ccc(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC000193706901 1018155269 /nfs/dbraw/zinc/15/52/69/1018155269.db2.gz XSSYOUMOANHSPV-UHFFFAOYSA-N -1 3 308.740 3.869 20 0 DHADHM CC[C@@H](C)Oc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000764441705 1018282568 /nfs/dbraw/zinc/28/25/68/1018282568.db2.gz JIKVXMJGUSRSSR-XYLWRLHESA-N -1 3 300.358 3.539 20 0 DHADHM CCN(Cc1c(Cl)cc([O-])cc1Cl)C1CCOCC1 ZINC001142114422 1018358911 /nfs/dbraw/zinc/35/89/11/1018358911.db2.gz HYRWLCXFBBJIMV-UHFFFAOYSA-N -1 3 304.217 3.700 20 0 DHADHM [O-]c1ccc(-c2nc(-c3cc(Cl)ccc3Cl)no2)nc1 ZINC001212557997 1018462779 /nfs/dbraw/zinc/46/27/79/1018462779.db2.gz MJAPDDQRTJBJKB-UHFFFAOYSA-N -1 3 308.124 3.811 20 0 DHADHM COc1ccc2cccc(-c3noc(-c4ccc([O-])cn4)n3)c2c1 ZINC001212559130 1018467372 /nfs/dbraw/zinc/46/73/72/1018467372.db2.gz XFIWKGFRQCZZEP-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM O=C(Nc1ccccc1-c1cccs1)c1cccc2n[n-]nc21 ZINC000527355978 1018561175 /nfs/dbraw/zinc/56/11/75/1018561175.db2.gz HCASASLCRQODER-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-c2ccco2)s1 ZINC000676050870 1018654838 /nfs/dbraw/zinc/65/48/38/1018654838.db2.gz BUKVDTXQCDDDMN-UHFFFAOYSA-N -1 3 317.341 3.783 20 0 DHADHM COc1ccccc1OCCN(C)Cc1cccc([O-])c1Cl ZINC000507534011 1018852690 /nfs/dbraw/zinc/85/26/90/1018852690.db2.gz PAYLAFSLDDLVMV-UHFFFAOYSA-N -1 3 321.804 3.565 20 0 DHADHM O=C(NCCc1ccccc1F)c1cc([O-])c2ccccc2c1 ZINC000471619024 1018906137 /nfs/dbraw/zinc/90/61/37/1018906137.db2.gz MCHMEJZUEIZFNC-UHFFFAOYSA-N -1 3 309.340 3.657 20 0 DHADHM NC(=O)c1ccc(Nc2c(Cl)cc(F)cc2Cl)cc1[O-] ZINC001214477609 1018943502 /nfs/dbraw/zinc/94/35/02/1018943502.db2.gz XXQCAUDWNHXQGH-UHFFFAOYSA-N -1 3 315.131 3.681 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2c(C)noc2C(C)C)s1 ZINC000022743093 1018972729 /nfs/dbraw/zinc/97/27/29/1018972729.db2.gz HRVXXDFXQDRVRO-UHFFFAOYSA-N -1 3 308.407 3.553 20 0 DHADHM CC(C)c1nsc([N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656228496 1018975629 /nfs/dbraw/zinc/97/56/29/1018975629.db2.gz QWWLQYVWMTVTRR-IUCAKERBSA-N -1 3 309.357 3.573 20 0 DHADHM CCO[C@H](CCNC(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000354905367 1019025104 /nfs/dbraw/zinc/02/51/04/1019025104.db2.gz DDAJPGRYOBSDNS-GOSISDBHSA-N -1 3 315.413 3.726 20 0 DHADHM CCc1occc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000584210257 1019026151 /nfs/dbraw/zinc/02/61/51/1019026151.db2.gz DFKNZYZEZYHXCO-UHFFFAOYSA-N -1 3 310.147 3.562 20 0 DHADHM O=S(=O)([N-]c1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000007402784 1019026140 /nfs/dbraw/zinc/02/61/40/1019026140.db2.gz KPXPKIMPMUVAHO-UHFFFAOYSA-N -1 3 320.172 3.933 20 0 DHADHM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cnn1CC(C)C ZINC000355575302 1019129765 /nfs/dbraw/zinc/12/97/65/1019129765.db2.gz NHANEBZQTUYTIF-UHFFFAOYSA-N -1 3 323.396 3.959 20 0 DHADHM COc1ccc2nc(NC(=O)c3ccc(C)cc3[O-])sc2c1 ZINC000028838285 1019163559 /nfs/dbraw/zinc/16/35/59/1019163559.db2.gz MOUBKDJXMRPKIO-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1 ZINC000029046482 1019164749 /nfs/dbraw/zinc/16/47/49/1019164749.db2.gz MDDQAZQVSLYFNV-UHFFFAOYSA-N -1 3 319.426 3.839 20 0 DHADHM CC(C)c1csc([N-]C(=O)c2cc(-c3ccccn3)no2)n1 ZINC000081283929 1019172608 /nfs/dbraw/zinc/17/26/08/1019172608.db2.gz TWGHZZNGXVRXGO-UHFFFAOYSA-N -1 3 314.370 3.569 20 0 DHADHM Cn1ccnc1[C@H]([N-]c1nc2ccccc2o1)c1ccc(F)cc1 ZINC000029401052 1019177832 /nfs/dbraw/zinc/17/78/32/1019177832.db2.gz SOFIONGOXBKQCI-MRXNPFEDSA-N -1 3 322.343 3.902 20 0 DHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000923471108 1019220672 /nfs/dbraw/zinc/22/06/72/1019220672.db2.gz JKUDSNWVQFCXFK-QGZVFWFLSA-N -1 3 324.490 3.826 20 0 DHADHM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cccc2Cl)c(F)c1 ZINC000387491091 1019292977 /nfs/dbraw/zinc/29/29/77/1019292977.db2.gz RQFYKQSSYBHRQU-UHFFFAOYSA-N -1 3 310.662 3.881 20 0 DHADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1cc(F)cc(F)c1[O-] ZINC001212477621 1019396240 /nfs/dbraw/zinc/39/62/40/1019396240.db2.gz JXCGWFUDVMXRFE-UHFFFAOYSA-N -1 3 321.714 3.759 20 0 DHADHM Cc1cc(Br)cnc1Nc1cc(F)cc(F)c1[O-] ZINC001212477420 1019396968 /nfs/dbraw/zinc/39/69/68/1019396968.db2.gz DKPXDECTDOBPLR-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM COc1cc(Nc2cc(F)cc(F)c2[O-])ncc1C(F)(F)F ZINC001212484162 1019446370 /nfs/dbraw/zinc/44/63/70/1019446370.db2.gz NNJNQUHRSBLRAM-UHFFFAOYSA-N -1 3 320.217 3.836 20 0 DHADHM COc1ccc(C(=O)N(CC2CC2)C2CCCCC2)c([O-])c1 ZINC000170804936 1019451001 /nfs/dbraw/zinc/45/10/01/1019451001.db2.gz NVJJQYNJJAEPEV-UHFFFAOYSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)o1 ZINC000066413418 1019542650 /nfs/dbraw/zinc/54/26/50/1019542650.db2.gz HOVYDNBCTILIMQ-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM CCc1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c([O-])c1 ZINC001299298135 1019544284 /nfs/dbraw/zinc/54/42/84/1019544284.db2.gz LMMPUCBADFYWLJ-QGZVFWFLSA-N -1 3 301.430 3.995 20 0 DHADHM CCc1cccc(C(=O)N(C)c2cccc(SC)c2)c1[O-] ZINC000094090100 1019607828 /nfs/dbraw/zinc/60/78/28/1019607828.db2.gz GLELOCFXDQYFDN-UHFFFAOYSA-N -1 3 301.411 3.953 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccccc2)nc1 ZINC000128571536 1019609203 /nfs/dbraw/zinc/60/92/03/1019609203.db2.gz KBOWSXZMUJJBFA-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CCc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([O-])c1 ZINC000682527598 1019643451 /nfs/dbraw/zinc/64/34/51/1019643451.db2.gz INVAOBSAFYRGSO-JQWIXIFHSA-N -1 3 315.335 3.758 20 0 DHADHM CC(C)c1ccc2nc(-c3ccc(F)c(F)c3)[n-]c(=O)c2c1 ZINC000060797342 1019721031 /nfs/dbraw/zinc/72/10/31/1019721031.db2.gz PPHWTUHSABURNQ-UHFFFAOYSA-N -1 3 300.308 3.992 20 0 DHADHM CC[C@H](C)n1[nH]c(=NC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC000525928864 1019728768 /nfs/dbraw/zinc/72/87/68/1019728768.db2.gz MWEZPMLNMCIMAH-LBPRGKRZSA-N -1 3 323.396 3.696 20 0 DHADHM O=C(NCC1Cc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000526892163 1019735765 /nfs/dbraw/zinc/73/57/65/1019735765.db2.gz WXRMZXZJUPKIGE-UHFFFAOYSA-N -1 3 317.388 3.690 20 0 DHADHM Cc1ccsc1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061211205 1019741304 /nfs/dbraw/zinc/74/13/04/1019741304.db2.gz GMYKRUOCNSAEBC-UHFFFAOYSA-N -1 3 312.394 3.583 20 0 DHADHM C[C@H](CCc1ccco1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527166395 1019743692 /nfs/dbraw/zinc/74/36/92/1019743692.db2.gz ZAYLNASWQZVKHE-CYBMUJFWSA-N -1 3 309.365 3.890 20 0 DHADHM CCCC(O)(CCC)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000527455826 1019752012 /nfs/dbraw/zinc/75/20/12/1019752012.db2.gz QWVGSRCICQUMRQ-UHFFFAOYSA-N -1 3 315.413 3.607 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000281512343 1019772835 /nfs/dbraw/zinc/77/28/35/1019772835.db2.gz ISRBWOYAUDSDEO-DLBZAZTESA-N -1 3 323.392 3.519 20 0 DHADHM O=S(=O)(CCc1cccs1)[N-]c1cc(Cl)ccc1F ZINC000477501404 1032856504 /nfs/dbraw/zinc/85/65/04/1032856504.db2.gz SQHYQAXXUVYTBI-UHFFFAOYSA-N -1 3 319.810 3.525 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]nc1-c1ccccc1 ZINC000067139045 1019973590 /nfs/dbraw/zinc/97/35/90/1019973590.db2.gz WZOCSYFADKVOSP-UHFFFAOYSA-N -1 3 313.744 3.688 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccc(F)cc2)CC1 ZINC000067138893 1019974057 /nfs/dbraw/zinc/97/40/57/1019974057.db2.gz QOVLSQZCGWNSNF-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM CC(C)c1csc2[n-]c(COCc3ccccc3)nc(=O)c12 ZINC000069980487 1020034379 /nfs/dbraw/zinc/03/43/79/1020034379.db2.gz FKTLESKATRULMF-UHFFFAOYSA-N -1 3 314.410 3.825 20 0 DHADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000068831983 1020038760 /nfs/dbraw/zinc/03/87/60/1020038760.db2.gz QXHIVXFJYDNKAX-ZFWWWQNUSA-N -1 3 312.413 3.617 20 0 DHADHM CC[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000030143237 1020073076 /nfs/dbraw/zinc/07/30/76/1020073076.db2.gz QYWPCXHURNXAMJ-LBPRGKRZSA-N -1 3 311.385 3.704 20 0 DHADHM Cc1cc(C)cc(OCCCOc2ccc3c([O-])coc3c2)c1 ZINC000642608469 1020253499 /nfs/dbraw/zinc/25/34/99/1020253499.db2.gz BKZFMRXWYCGGND-UHFFFAOYSA-N -1 3 312.365 3.726 20 0 DHADHM COc1ccccc1C/C(C)=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000255772349 1020378097 /nfs/dbraw/zinc/37/80/97/1020378097.db2.gz LAZANKKQEUFWTQ-BENRWUELSA-N -1 3 315.344 3.667 20 0 DHADHM CC(C)(C)OCc1cc(CNCc2cc(Cl)ccc2[O-])no1 ZINC000186424381 1020406582 /nfs/dbraw/zinc/40/65/82/1020406582.db2.gz HFEQPUOPFFECLO-UHFFFAOYSA-N -1 3 324.808 3.639 20 0 DHADHM COc1ccccc1[C@@H]1CCCN1C(=O)c1c(C)cccc1[O-] ZINC000625203858 1020407062 /nfs/dbraw/zinc/40/70/62/1020407062.db2.gz JLKLTNFFULAMFI-HNNXBMFYSA-N -1 3 311.381 3.687 20 0 DHADHM CCCc1ccc(CNc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001168636359 1020459291 /nfs/dbraw/zinc/45/92/91/1020459291.db2.gz YDIGBJCHPRAYNB-UHFFFAOYSA-N -1 3 307.401 3.740 20 0 DHADHM CCCc1ccc(CNc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001168636359 1020459294 /nfs/dbraw/zinc/45/92/94/1020459294.db2.gz YDIGBJCHPRAYNB-UHFFFAOYSA-N -1 3 307.401 3.740 20 0 DHADHM Nc1ccc(Cl)cc1Nc1ncc(Br)cc1[O-] ZINC001212427638 1020490363 /nfs/dbraw/zinc/49/03/63/1020490363.db2.gz UXPSUOGDMBKEHJ-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000348068251 1020492966 /nfs/dbraw/zinc/49/29/66/1020492966.db2.gz AUHFSNFLTHMAGY-JKSUJKDBSA-N -1 3 317.772 3.904 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCCC34CC4)nc2)n1 ZINC000624757862 1020554064 /nfs/dbraw/zinc/55/40/64/1020554064.db2.gz RWGUYJXERHIAKZ-AWEZNQCLSA-N -1 3 324.428 3.799 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](C(F)(F)F)[C@H]32)c([O-])c1 ZINC000673945964 1020565799 /nfs/dbraw/zinc/56/57/99/1020565799.db2.gz ZJHVTDPNRWTRBJ-YUTCNCBUSA-N -1 3 313.319 3.538 20 0 DHADHM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132761128 1020569338 /nfs/dbraw/zinc/56/93/38/1020569338.db2.gz MKRIRCNBAJASLW-UHFFFAOYSA-N -1 3 313.328 3.824 20 0 DHADHM Cc1csc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000354001707 1020582350 /nfs/dbraw/zinc/58/23/50/1020582350.db2.gz JBRZICCNIQZJOI-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000685789725 1020653073 /nfs/dbraw/zinc/65/30/73/1020653073.db2.gz NGOICRUWLXBIBI-SNVBAGLBSA-N -1 3 319.763 3.944 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C(=O)[O-])C1 ZINC000570456593 1020733696 /nfs/dbraw/zinc/73/36/96/1020733696.db2.gz GCAZSAYTGNOOGE-ZANVPECISA-N -1 3 302.201 3.851 20 0 DHADHM C/C(=C/C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000738552534 1020877898 /nfs/dbraw/zinc/87/78/98/1020877898.db2.gz PRXYOWDVKQVNTN-FLIBITNWSA-N -1 3 319.763 3.904 20 0 DHADHM Cc1sc(Nc2c(Cl)ccc([O-])c2F)c(C(N)=O)c1C ZINC001214554653 1020928644 /nfs/dbraw/zinc/92/86/44/1020928644.db2.gz XWUSYSPOTWIZRU-UHFFFAOYSA-N -1 3 314.769 3.706 20 0 DHADHM Cc1cc(F)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)c(F)c1 ZINC000613451200 1020968029 /nfs/dbraw/zinc/96/80/29/1020968029.db2.gz MMZMEQVTVYRQKW-UHFFFAOYSA-N -1 3 320.343 3.622 20 0 DHADHM CCOC(=O)c1ncccc1Nc1c(Cl)ccc([O-])c1F ZINC001214556007 1020976908 /nfs/dbraw/zinc/97/69/08/1020976908.db2.gz FZTKIJBBMAHHPR-UHFFFAOYSA-N -1 3 310.712 3.500 20 0 DHADHM CCOc1ncc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001212828030 1032948433 /nfs/dbraw/zinc/94/84/33/1032948433.db2.gz AIUUDDLVAUYPKX-UHFFFAOYSA-N -1 3 305.334 3.678 20 0 DHADHM CC(C)Oc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175927463 1021086664 /nfs/dbraw/zinc/08/66/64/1021086664.db2.gz YVDPNIUOCAXWDY-SECBINFHSA-N -1 3 307.287 3.551 20 0 DHADHM CC(C)[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162854574 1021144741 /nfs/dbraw/zinc/14/47/41/1021144741.db2.gz QOMGFLVNFPSMQE-CYBMUJFWSA-N -1 3 303.324 3.817 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCC2CC2)c1Cl ZINC000605589211 1021194471 /nfs/dbraw/zinc/19/44/71/1021194471.db2.gz OSVIERLSDWYIQZ-UHFFFAOYSA-N -1 3 322.257 3.770 20 0 DHADHM O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000917518752 1021287542 /nfs/dbraw/zinc/28/75/42/1021287542.db2.gz LJTIVVCIRHZRDG-VGOFMYFVSA-N -1 3 318.159 3.804 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(F)c3)c2)n1 ZINC000744217174 1021472944 /nfs/dbraw/zinc/47/29/44/1021472944.db2.gz IDDUWMUZEHOJSH-UHFFFAOYSA-N -1 3 324.311 3.516 20 0 DHADHM Cc1ncccc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647102 1021495288 /nfs/dbraw/zinc/49/52/88/1021495288.db2.gz HORODIHTOMTBCS-UHFFFAOYSA-N -1 3 313.744 3.519 20 0 DHADHM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129591568 1021518414 /nfs/dbraw/zinc/51/84/14/1021518414.db2.gz WNANZKGCIHQEBG-GFCCVEGCSA-N -1 3 303.333 3.575 20 0 DHADHM CC(C)COc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129742181 1021568128 /nfs/dbraw/zinc/56/81/28/1021568128.db2.gz IYKHYRBLOLNXPG-UHFFFAOYSA-N -1 3 317.360 3.747 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)c([O-])c1C ZINC000613617794 1021575630 /nfs/dbraw/zinc/57/56/30/1021575630.db2.gz JYGDISPUGYVSQF-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000337430168 1032990311 /nfs/dbraw/zinc/99/03/11/1032990311.db2.gz USOHMBHLSGOVRF-BLLLJJGKSA-N -1 3 303.381 3.678 20 0 DHADHM O=C(/C=C/c1ccc(Cl)s1)NCc1ccc([O-])c(F)c1 ZINC000178292852 1021599118 /nfs/dbraw/zinc/59/91/18/1021599118.db2.gz KVUJTGLIYUYESE-ZZXKWVIFSA-N -1 3 311.765 3.576 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3C)C2)c1 ZINC000085652435 1021945246 /nfs/dbraw/zinc/94/52/46/1021945246.db2.gz IITCRNKOBWGGPL-UHFFFAOYSA-N -1 3 309.409 3.578 20 0 DHADHM [O-]c1ccc(Cl)c(Nc2cc(Cl)nn3ccnc23)c1F ZINC001214559914 1022036966 /nfs/dbraw/zinc/03/69/66/1022036966.db2.gz VHGADIZBDWUPHX-UHFFFAOYSA-N -1 3 313.119 3.624 20 0 DHADHM Cc1cccc2c1CCN2Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000746387904 1022056641 /nfs/dbraw/zinc/05/66/41/1022056641.db2.gz YCXPLWGOOXQUPQ-UHFFFAOYSA-N -1 3 321.376 3.678 20 0 DHADHM CC(C)(C)c1nc(CC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000153484780 1022076438 /nfs/dbraw/zinc/07/64/38/1022076438.db2.gz HHEJHUQANGTZIG-UHFFFAOYSA-N -1 3 324.833 3.981 20 0 DHADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])C1CCC(O)CC1 ZINC000416179454 1022175503 /nfs/dbraw/zinc/17/55/03/1022175503.db2.gz MNJGOMLWGBBMNC-UHFFFAOYSA-N -1 3 311.809 3.561 20 0 DHADHM COc1cccc(CSCc2nc(C)cc(=O)[n-]2)c1Cl ZINC000853771575 1022338927 /nfs/dbraw/zinc/33/89/27/1022338927.db2.gz ZGEFJBPUDCVKIQ-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM O=c1[nH]cc(Nc2ccc(Cl)c([O-])c2)cc1C(F)(F)F ZINC001212590287 1022408293 /nfs/dbraw/zinc/40/82/93/1022408293.db2.gz DZCMYGZXRWVYDU-UHFFFAOYSA-N -1 3 304.655 3.909 20 0 DHADHM CC(C)Sc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156291773 1022452224 /nfs/dbraw/zinc/45/22/24/1022452224.db2.gz FNNPIUKNYSTWTF-UHFFFAOYSA-N -1 3 319.401 3.962 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001169581094 1022468987 /nfs/dbraw/zinc/46/89/87/1022468987.db2.gz DLPIGUZVJXQFEP-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001169581094 1022468991 /nfs/dbraw/zinc/46/89/91/1022468991.db2.gz DLPIGUZVJXQFEP-CYBMUJFWSA-N -1 3 315.421 3.802 20 0 DHADHM O=S1(=O)C=Cc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212593401 1022485570 /nfs/dbraw/zinc/48/55/70/1022485570.db2.gz PBTOCFYXDRPASP-UHFFFAOYSA-N -1 3 307.758 3.547 20 0 DHADHM CC(=O)N1CCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212592435 1022490480 /nfs/dbraw/zinc/49/04/80/1022490480.db2.gz PTJGXDXPRXJBFB-UHFFFAOYSA-N -1 3 302.761 3.698 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCc1cccc(F)c1F ZINC000112335082 1022494000 /nfs/dbraw/zinc/49/40/00/1022494000.db2.gz YGEWTVLVWUVCMS-UHFFFAOYSA-N -1 3 305.324 3.536 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000854581960 1022499350 /nfs/dbraw/zinc/49/93/50/1022499350.db2.gz XATMBGYRYMEWLJ-LSDHHAIUSA-N -1 3 321.380 3.791 20 0 DHADHM [O-]c1cccnc1CNc1cc(Cl)nc2cc(F)ccc21 ZINC001169730572 1022525629 /nfs/dbraw/zinc/52/56/29/1022525629.db2.gz CHJKAUMVUWMJII-UHFFFAOYSA-N -1 3 303.724 3.740 20 0 DHADHM CCC(F)(F)C(=O)[N-][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000854895738 1022543021 /nfs/dbraw/zinc/54/30/21/1022543021.db2.gz XIVDVVBGYLHYCT-AWEZNQCLSA-N -1 3 309.312 3.539 20 0 DHADHM COC(=O)/C=C/c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212595161 1022550804 /nfs/dbraw/zinc/55/08/04/1022550804.db2.gz KLLVHTYWISJEOL-RUDMXATFSA-N -1 3 303.745 3.975 20 0 DHADHM CC1(C)Cc2cc(Nc3ccc(Cl)c([O-])c3)ccc2C(=O)N1 ZINC001212595089 1022552212 /nfs/dbraw/zinc/55/22/12/1022552212.db2.gz GTDBCWRAOVEBAE-UHFFFAOYSA-N -1 3 316.788 3.854 20 0 DHADHM COC(=O)Cc1ccc(F)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595279 1022559104 /nfs/dbraw/zinc/55/91/04/1022559104.db2.gz LSJULTSFGNWNJA-UHFFFAOYSA-N -1 3 309.724 3.644 20 0 DHADHM CC(C)Oc1ccc(F)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417026655 1022563995 /nfs/dbraw/zinc/56/39/95/1022563995.db2.gz NRLZJCUGUJHVAH-UHFFFAOYSA-N -1 3 317.364 3.598 20 0 DHADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000115710475 1022568644 /nfs/dbraw/zinc/56/86/44/1022568644.db2.gz LLXISPLNLLLHJV-INIZCTEOSA-N -1 3 317.772 3.688 20 0 DHADHM S=C1Cc2ccc(NCc3cccnc3N3CCCC3)cc2[N-]1 ZINC001169861380 1022573658 /nfs/dbraw/zinc/57/36/58/1022573658.db2.gz SVMMJYAAUKPTHP-UHFFFAOYSA-N -1 3 324.453 3.589 20 0 DHADHM CC[C@@H](COCC1CC1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000855284310 1022607540 /nfs/dbraw/zinc/60/75/40/1022607540.db2.gz QBCFEFSURRMNOL-ZDUSSCGKSA-N -1 3 319.426 3.542 20 0 DHADHM CCOc1cc(CN2CCOc3ccccc32)cc(Cl)c1[O-] ZINC000671126618 1022688377 /nfs/dbraw/zinc/68/83/77/1022688377.db2.gz MAEMOFUDFZSMEO-UHFFFAOYSA-N -1 3 319.788 3.843 20 0 DHADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000159183177 1022698507 /nfs/dbraw/zinc/69/85/07/1022698507.db2.gz IUNVJTRDCFRCTL-OAHLLOKOSA-N -1 3 320.751 3.771 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001137580471 1022755457 /nfs/dbraw/zinc/75/54/57/1022755457.db2.gz JRBNLBUEZMVICR-ZDUSSCGKSA-N -1 3 323.270 3.570 20 0 DHADHM CC(C)(C)n1nccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000856280034 1022785207 /nfs/dbraw/zinc/78/52/07/1022785207.db2.gz LKMACPKXAKOIFV-UHFFFAOYSA-N -1 3 315.398 3.811 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(SC(F)(F)F)cc2)S1 ZINC000767897600 1022836627 /nfs/dbraw/zinc/83/66/27/1022836627.db2.gz AWDIVOONOARDTM-VMPITWQZSA-N -1 3 305.302 3.622 20 0 DHADHM CCCc1ncc(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000617096568 1022843197 /nfs/dbraw/zinc/84/31/97/1022843197.db2.gz ZSFPPGFVGUAJBU-UHFFFAOYSA-N -1 3 324.475 3.788 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@@H]3CCCc4ccccc43)no2)c1 ZINC000324783956 1022966069 /nfs/dbraw/zinc/96/60/69/1022966069.db2.gz HLMSTHAQXPIKPO-OAHLLOKOSA-N -1 3 322.364 3.919 20 0 DHADHM O=C([N-]N=c1ccc2ccccc2[nH]1)c1c(F)cccc1Cl ZINC000181156181 1022966517 /nfs/dbraw/zinc/96/65/17/1022966517.db2.gz MWMUKQKKXXVAEG-UHFFFAOYSA-N -1 3 315.735 3.784 20 0 DHADHM C[C@H]1CCCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621958665 1022966802 /nfs/dbraw/zinc/96/68/02/1022966802.db2.gz SNUKZTVFPKEHCY-JTQLQIEISA-N -1 3 301.308 3.673 20 0 DHADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621974049 1022978000 /nfs/dbraw/zinc/97/80/00/1022978000.db2.gz HWNFDPROFCUVSW-SNVBAGLBSA-N -1 3 313.319 3.816 20 0 DHADHM COc1ccc(OC)c([C@H](C)NCc2cccc([O-])c2Cl)c1 ZINC000294312951 1022979723 /nfs/dbraw/zinc/97/97/23/1022979723.db2.gz XLLYCNAPCFEGIU-NSHDSACASA-N -1 3 321.804 3.914 20 0 DHADHM Cc1cc(CCCC(=O)[N-]OCCC(F)(F)F)c(C)s1 ZINC000162593411 1022993760 /nfs/dbraw/zinc/99/37/60/1022993760.db2.gz WFOILFBNVBUPAF-UHFFFAOYSA-N -1 3 309.353 3.688 20 0 DHADHM O=C([O-])C[C@H](NCc1cc2cc(F)ccc2o1)c1cccs1 ZINC000671162545 1022991064 /nfs/dbraw/zinc/99/10/64/1022991064.db2.gz KFYHSKPCAHTHBU-ZDUSSCGKSA-N -1 3 319.357 3.939 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1(F)F ZINC000622057268 1023008527 /nfs/dbraw/zinc/00/85/27/1023008527.db2.gz WBBKQEUZBRVFEC-QMMMGPOBSA-N -1 3 323.261 3.528 20 0 DHADHM CCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1Cl ZINC000857504651 1023023369 /nfs/dbraw/zinc/02/33/69/1023023369.db2.gz GDGWWBJOXJJQMI-UHFFFAOYSA-N -1 3 317.698 3.897 20 0 DHADHM CCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1Cl ZINC000857504651 1023023381 /nfs/dbraw/zinc/02/33/81/1023023381.db2.gz GDGWWBJOXJJQMI-UHFFFAOYSA-N -1 3 317.698 3.897 20 0 DHADHM C[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000069371009 1023039634 /nfs/dbraw/zinc/03/96/34/1023039634.db2.gz HBUFKKJKEWRSDU-ZDUSSCGKSA-N -1 3 308.495 3.753 20 0 DHADHM CC(C)(C)Sc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000181411059 1023084977 /nfs/dbraw/zinc/08/49/77/1023084977.db2.gz JRHIWSLPKYQSPN-CYBMUJFWSA-N -1 3 311.410 3.857 20 0 DHADHM COc1ccc(C)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622275873 1023092756 /nfs/dbraw/zinc/09/27/56/1023092756.db2.gz VENKOVKHIIKIMP-UHFFFAOYSA-N -1 3 311.381 3.840 20 0 DHADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c2cccnc12 ZINC000622292672 1023100514 /nfs/dbraw/zinc/10/05/14/1023100514.db2.gz GFXAJCOEODTUPT-UHFFFAOYSA-N -1 3 310.328 3.569 20 0 DHADHM CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000622349245 1023122799 /nfs/dbraw/zinc/12/27/99/1023122799.db2.gz RSVQLLLOQFIOIB-UHFFFAOYSA-N -1 3 321.779 3.779 20 0 DHADHM Nc1cc(Cl)cc2c1cnn2-c1c(Cl)ccc([O-])c1F ZINC001214563360 1023180327 /nfs/dbraw/zinc/18/03/27/1023180327.db2.gz BZSIVOCLFAYFEP-UHFFFAOYSA-N -1 3 312.131 3.759 20 0 DHADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])no1 ZINC000769628197 1023184431 /nfs/dbraw/zinc/18/44/31/1023184431.db2.gz MPGAFJANZAUTCU-UHFFFAOYSA-N -1 3 324.336 3.520 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000111210209 1023264721 /nfs/dbraw/zinc/26/47/21/1023264721.db2.gz UMAUGOUAHIOBNZ-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1noc2c1CCc1ccccc1-2 ZINC001137582114 1023473686 /nfs/dbraw/zinc/47/36/86/1023473686.db2.gz LFGQXAIAFOBNTM-UHFFFAOYSA-N -1 3 324.311 3.537 20 0 DHADHM COC(=O)C(C)(C)c1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC000893430490 1023510031 /nfs/dbraw/zinc/51/00/31/1023510031.db2.gz ABUJDCVZIVIZRX-UHFFFAOYSA-N -1 3 317.360 3.594 20 0 DHADHM O=C(OCc1cc(-c2ccccc2)on1)c1cc2occc2[n-]1 ZINC000786033351 1023654083 /nfs/dbraw/zinc/65/40/83/1023654083.db2.gz IMGMAEKPXUMCTA-UHFFFAOYSA-N -1 3 308.293 3.773 20 0 DHADHM O=C(OCc1csc(-c2ccco2)n1)c1cc2occc2[n-]1 ZINC000786034203 1023654090 /nfs/dbraw/zinc/65/40/90/1023654090.db2.gz XWBQDGPSUGUNBG-UHFFFAOYSA-N -1 3 314.322 3.834 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1noc(-c2ccccc2)n1 ZINC000786033280 1023654094 /nfs/dbraw/zinc/65/40/94/1023654094.db2.gz PDLQEBPWJSIBAT-SNVBAGLBSA-N -1 3 323.308 3.729 20 0 DHADHM C[C@H](Cc1ccccc1)NC(=S)Nc1ccc(Cl)cc1[O-] ZINC000786083814 1023663277 /nfs/dbraw/zinc/66/32/77/1023663277.db2.gz OUAHFKKXQNVXQN-LLVKDONJSA-N -1 3 320.845 3.963 20 0 DHADHM CCCN(Cc1ccccc1F)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000661859713 1023780779 /nfs/dbraw/zinc/78/07/79/1023780779.db2.gz DJBQQFQVABUEAV-CYBMUJFWSA-N -1 3 303.381 3.603 20 0 DHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1cccnc1 ZINC000787826854 1023825460 /nfs/dbraw/zinc/82/54/60/1023825460.db2.gz COFNDXHBMCUGTG-LBPRGKRZSA-N -1 3 303.333 3.553 20 0 DHADHM Cc1ccc(CN(Cc2csc(C(=O)[O-])c2)CC2CC2)cn1 ZINC000652433228 1023860478 /nfs/dbraw/zinc/86/04/78/1023860478.db2.gz ZJCPWCKIPXREMY-UHFFFAOYSA-N -1 3 316.426 3.562 20 0 DHADHM CC(C)C[C@H](C)n1nccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000452147595 1023988804 /nfs/dbraw/zinc/98/88/04/1023988804.db2.gz JPVSCAKZRAUUNZ-LBPRGKRZSA-N -1 3 319.380 3.516 20 0 DHADHM O=S(=O)([N-]c1ccsc1Cl)c1cnc2ccccc2c1 ZINC000337796403 1033180291 /nfs/dbraw/zinc/18/02/91/1033180291.db2.gz DLBIKGDEJGZQQJ-UHFFFAOYSA-N -1 3 324.814 3.751 20 0 DHADHM CC(C)C1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000268669957 1024141382 /nfs/dbraw/zinc/14/13/82/1024141382.db2.gz HGYXMNAVYPNFPO-UHFFFAOYSA-N -1 3 312.413 3.885 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCCCC1 ZINC000452760925 1024185610 /nfs/dbraw/zinc/18/56/10/1024185610.db2.gz WVXDKOIUHXMBDC-UHFFFAOYSA-N -1 3 312.207 3.982 20 0 DHADHM CCC(CC)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452763024 1024186921 /nfs/dbraw/zinc/18/69/21/1024186921.db2.gz YVMKUTGHSGQWAD-UHFFFAOYSA-N -1 3 300.196 3.838 20 0 DHADHM CC(C)c1ccoc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453186939 1024386504 /nfs/dbraw/zinc/38/65/04/1024386504.db2.gz NBUWYAFTEXVAMM-UHFFFAOYSA-N -1 3 302.305 3.889 20 0 DHADHM CO[N-]C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000790938275 1024399569 /nfs/dbraw/zinc/39/95/69/1024399569.db2.gz TZJUPCFPZVKLMD-UHFFFAOYSA-N -1 3 318.442 3.857 20 0 DHADHM O=C(OCc1cc2ccccc2nc1Cl)c1ccc([O-])cc1 ZINC000005262352 1024420856 /nfs/dbraw/zinc/42/08/56/1024420856.db2.gz XSHKMIBAGDUCJU-UHFFFAOYSA-N -1 3 313.740 3.951 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c1 ZINC000303157387 1024445692 /nfs/dbraw/zinc/44/56/92/1024445692.db2.gz OUWHJHOJVGZOCW-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM CO[C@@]1(C)C[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1(C)C ZINC000791375519 1024479121 /nfs/dbraw/zinc/47/91/21/1024479121.db2.gz PRZWYRRWAYOMPO-YOEHRIQHSA-N -1 3 319.426 3.540 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000666021436 1024606965 /nfs/dbraw/zinc/60/69/65/1024606965.db2.gz KFDFDGPGSJRRPH-UHFFFAOYSA-N -1 3 319.451 3.980 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2ccco2)cc1F ZINC000278940089 1024624608 /nfs/dbraw/zinc/62/46/08/1024624608.db2.gz NJBARPCWOJHIDB-OAHLLOKOSA-N -1 3 320.320 3.665 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2ccco2)cc1F ZINC000278940089 1024624614 /nfs/dbraw/zinc/62/46/14/1024624614.db2.gz NJBARPCWOJHIDB-OAHLLOKOSA-N -1 3 320.320 3.665 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3CC(C)C)n[n-]2)o1 ZINC000792392757 1024667244 /nfs/dbraw/zinc/66/72/44/1024667244.db2.gz FEFDDGRPWLVECD-UHFFFAOYSA-N -1 3 324.384 3.824 20 0 DHADHM C[C@@H]1Cc2cnccc2N1C(=O)c1cc2sccc2c([O-])c1 ZINC001170257440 1024716866 /nfs/dbraw/zinc/71/68/66/1024716866.db2.gz BBBRMRPBUXHSKA-SNVBAGLBSA-N -1 3 310.378 3.593 20 0 DHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC000263066158 1024726967 /nfs/dbraw/zinc/72/69/67/1024726967.db2.gz OAMZFCNYOZIJRS-KBPBESRZSA-N -1 3 315.369 3.615 20 0 DHADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OCc1cccnc1 ZINC000792604745 1024730960 /nfs/dbraw/zinc/73/09/60/1024730960.db2.gz NURRKIBUDXOHJH-ZBFHGGJFSA-N -1 3 310.397 3.619 20 0 DHADHM [O-]c1cc(F)cc(CNc2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000349665402 1024739921 /nfs/dbraw/zinc/73/99/21/1024739921.db2.gz IUPQARJRHVHBLA-UHFFFAOYSA-N -1 3 317.751 3.983 20 0 DHADHM O=C(Nc1cc(=O)[n-]n1C1CCCC1)Nc1cc(F)ccc1F ZINC001202645629 1024762407 /nfs/dbraw/zinc/76/24/07/1024762407.db2.gz LMUQJEOXNQHPFL-UHFFFAOYSA-N -1 3 322.315 3.626 20 0 DHADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1cc(F)ccc1F ZINC001202647401 1024764218 /nfs/dbraw/zinc/76/42/18/1024764218.db2.gz LNDIGXBNVGCWPM-UHFFFAOYSA-N -1 3 321.308 3.924 20 0 DHADHM COC(=O)c1ccc(OC(F)F)c(-c2ccc([O-])cc2F)c1 ZINC001206051654 1024776103 /nfs/dbraw/zinc/77/61/03/1024776103.db2.gz OGDLDAIBPHOFTP-UHFFFAOYSA-N -1 3 312.243 3.586 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cc(F)ccc1F ZINC001202658599 1024786515 /nfs/dbraw/zinc/78/65/15/1024786515.db2.gz HFCRSDMYYPRIBF-UHFFFAOYSA-N -1 3 306.268 3.517 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(C)oc1C(F)(F)F ZINC000350631187 1024832884 /nfs/dbraw/zinc/83/28/84/1024832884.db2.gz GVCCSRBKSRBYLE-UHFFFAOYSA-N -1 3 302.252 3.718 20 0 DHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2)o1 ZINC000263339237 1024927140 /nfs/dbraw/zinc/92/71/40/1024927140.db2.gz NDDCZFXHAWVLDH-UONOGXRCSA-N -1 3 315.369 3.757 20 0 DHADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c([O-])c1 ZINC000120916614 1025067027 /nfs/dbraw/zinc/06/70/27/1025067027.db2.gz QCBOKYKYIDVARU-KRWDZBQOSA-N -1 3 310.397 3.853 20 0 DHADHM CC[C@@H](CC(C)C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884541120 1025157795 /nfs/dbraw/zinc/15/77/95/1025157795.db2.gz WCUIMJWCOVKIDC-LBPRGKRZSA-N -1 3 318.373 3.558 20 0 DHADHM CC(C)CO[N-]C(=O)CCCc1ccc(Br)s1 ZINC000135322174 1025213941 /nfs/dbraw/zinc/21/39/41/1025213941.db2.gz VVPXLRXEMUTSEX-UHFFFAOYSA-N -1 3 320.252 3.537 20 0 DHADHM CSCCO[N-]C(=O)CCCc1csc2ccccc12 ZINC000794184187 1025232267 /nfs/dbraw/zinc/23/22/67/1025232267.db2.gz QLWHUNCXDWBBPQ-UHFFFAOYSA-N -1 3 309.456 3.635 20 0 DHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OC/C=C\Cl ZINC000794291720 1025249381 /nfs/dbraw/zinc/24/93/81/1025249381.db2.gz YGEQSMKABGAVAB-DAXSKMNVSA-N -1 3 302.201 3.709 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(C)C)cc2)o1 ZINC000539113705 1033277015 /nfs/dbraw/zinc/27/70/15/1033277015.db2.gz HWMYSFKMXHDZAE-ZDUSSCGKSA-N -1 3 321.442 3.621 20 0 DHADHM CCOc1ccc(C)nc1COC(=O)c1cccc(Cl)c1[O-] ZINC001130044535 1025523286 /nfs/dbraw/zinc/52/32/86/1025523286.db2.gz CIEMIUKBNXAVHL-UHFFFAOYSA-N -1 3 321.760 3.505 20 0 DHADHM CS[C@H]1CCCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000355169875 1025621185 /nfs/dbraw/zinc/62/11/85/1025621185.db2.gz UJLHDGWEWKYLBL-HNNXBMFYSA-N -1 3 315.438 3.903 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000129590614 1025625228 /nfs/dbraw/zinc/62/52/28/1025625228.db2.gz MNIFYBAFEAWJTM-LIRRHRJNSA-N -1 3 311.356 3.764 20 0 DHADHM CCc1cc2c([n-]c(CO[C@H]3CCCC[C@@H]3C)nc2=O)s1 ZINC000070694332 1025698504 /nfs/dbraw/zinc/69/85/04/1025698504.db2.gz VECFVLKRAUYYRX-GWCFXTLKSA-N -1 3 306.431 3.642 20 0 DHADHM COc1cccc2c1CC[C@@H]2NCc1cccc([O-])c1Cl ZINC000645162169 1026023623 /nfs/dbraw/zinc/02/36/23/1026023623.db2.gz KQSPVVQZCAXCGJ-AWEZNQCLSA-N -1 3 303.789 3.831 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000030116595 1026283541 /nfs/dbraw/zinc/28/35/41/1026283541.db2.gz HFBTWABOZSWOFC-JTQLQIEISA-N -1 3 309.287 3.902 20 0 DHADHM O=c1nc(-c2cnccn2)[n-]c2scc(C3CCCCC3)c21 ZINC000614441272 1026429945 /nfs/dbraw/zinc/42/99/45/1026429945.db2.gz IDLSIALIMXTZMH-UHFFFAOYSA-N -1 3 312.398 3.902 20 0 DHADHM CC(C)(C)[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000280293354 1026629014 /nfs/dbraw/zinc/62/90/14/1026629014.db2.gz FHXSXBMTRZPPDS-NSHDSACASA-N -1 3 305.447 3.655 20 0 DHADHM CC[C@@H](CSCc1cc(=O)[n-]c(-c2ccccc2)n1)OC ZINC000419611531 1026753291 /nfs/dbraw/zinc/75/32/91/1026753291.db2.gz ZXMATWIMJJJECT-AWEZNQCLSA-N -1 3 304.415 3.507 20 0 DHADHM Cc1ncccc1Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000420512948 1026827057 /nfs/dbraw/zinc/82/70/57/1026827057.db2.gz UMZFFWQYJQELSC-UHFFFAOYSA-N -1 3 309.369 3.860 20 0 DHADHM Cc1cccnc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810696992 1026834853 /nfs/dbraw/zinc/83/48/53/1026834853.db2.gz CKVVJBVTRICBTC-UHFFFAOYSA-N -1 3 306.774 3.943 20 0 DHADHM CC(=O)c1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cs1 ZINC001244622867 1026893496 /nfs/dbraw/zinc/89/34/96/1026893496.db2.gz JCMBJQLXIJQTOG-UHFFFAOYSA-N -1 3 304.318 3.715 20 0 DHADHM O=C(OCCc1cncs1)c1cc2cc(Cl)sc2[n-]1 ZINC000811117112 1026939602 /nfs/dbraw/zinc/93/96/02/1026939602.db2.gz OUHSYJMESJBOEJ-UHFFFAOYSA-N -1 3 312.803 3.739 20 0 DHADHM O=C(OCC1CCC(=O)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393648 1026991747 /nfs/dbraw/zinc/99/17/47/1026991747.db2.gz BUPVDKNNEMBLBG-UHFFFAOYSA-N -1 3 311.790 3.799 20 0 DHADHM COc1ncccc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394739 1026992174 /nfs/dbraw/zinc/99/21/74/1026992174.db2.gz ZKNKXIUKNORZMS-UHFFFAOYSA-N -1 3 322.773 3.643 20 0 DHADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OC/C=C/Cl ZINC000812400864 1027260629 /nfs/dbraw/zinc/26/06/29/1027260629.db2.gz DVMBTGCYBOPBIP-LZCJLJQNSA-N -1 3 308.592 3.726 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3)cn2)n1 ZINC000573766042 1027326201 /nfs/dbraw/zinc/32/62/01/1027326201.db2.gz JHVOLAUWIKNHIH-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000295793182 1027431285 /nfs/dbraw/zinc/43/12/85/1027431285.db2.gz DPZCAWGQIDCODZ-UONOGXRCSA-N -1 3 312.413 3.887 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000575155362 1027457513 /nfs/dbraw/zinc/45/75/13/1027457513.db2.gz JYDUGQLFJJCFFK-UHFFFAOYSA-N -1 3 315.316 3.873 20 0 DHADHM Cc1ccc(C(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c([O-])c1 ZINC000295899357 1027482325 /nfs/dbraw/zinc/48/23/25/1027482325.db2.gz HSYNMMPCOIXPHQ-QJPTWQEYSA-N -1 3 315.335 3.892 20 0 DHADHM CSc1ccc(CO[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000747832470 1027496203 /nfs/dbraw/zinc/49/62/03/1027496203.db2.gz UOYLKGHXANPIQI-UHFFFAOYSA-N -1 3 301.411 3.507 20 0 DHADHM Cc1oc(-c2cccs2)nc1CN(CCC(=O)[O-])CC(C)C ZINC000576233524 1027588536 /nfs/dbraw/zinc/58/85/36/1027588536.db2.gz BVDCRMLQVKGDGS-UHFFFAOYSA-N -1 3 322.430 3.644 20 0 DHADHM [O-]c1cccnc1CN(Cc1ccccc1Cl)CC1CC1 ZINC000576265934 1027592409 /nfs/dbraw/zinc/59/24/09/1027592409.db2.gz HFOHQQFCOTWBNF-UHFFFAOYSA-N -1 3 302.805 3.853 20 0 DHADHM CCc1oc2ccccc2c1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000576359930 1027606853 /nfs/dbraw/zinc/60/68/53/1027606853.db2.gz GPAQRJJFXZKBQP-INIZCTEOSA-N -1 3 324.380 3.696 20 0 DHADHM Cc1ccccc1[C@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000116189801 1027775852 /nfs/dbraw/zinc/77/58/52/1027775852.db2.gz HAYFWBLRRIQLIY-GFCCVEGCSA-N -1 3 310.357 3.505 20 0 DHADHM COC(=O)c1nc2ccc(N[C@@H](C)c3ccc(C)cc3C)nc2[n-]1 ZINC001170725155 1027867315 /nfs/dbraw/zinc/86/73/15/1027867315.db2.gz KEONVERMPOZGQK-LBPRGKRZSA-N -1 3 324.384 3.534 20 0 DHADHM COC(=O)c1nc2nc(N[C@@H](C)c3ccc(C)cc3C)ccc2[n-]1 ZINC001170725155 1027867340 /nfs/dbraw/zinc/86/73/40/1027867340.db2.gz KEONVERMPOZGQK-LBPRGKRZSA-N -1 3 324.384 3.534 20 0 DHADHM COC(=O)c1nc2ccc(N[C@@H](C)c3ccc(C)cc3C)[n-]c-2n1 ZINC001170725155 1027867357 /nfs/dbraw/zinc/86/73/57/1027867357.db2.gz KEONVERMPOZGQK-LBPRGKRZSA-N -1 3 324.384 3.534 20 0 DHADHM Cc1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)sc1C ZINC000577713633 1027903917 /nfs/dbraw/zinc/90/39/17/1027903917.db2.gz PHHSLPDYYSGZTN-UHFFFAOYSA-N -1 3 307.444 3.566 20 0 DHADHM COc1cnc([C@@H]2CCCN2CCCC2CCCCC2)[n-]c1=O ZINC000934277212 1027947749 /nfs/dbraw/zinc/94/77/49/1027947749.db2.gz ZGJJFYBMXIRCMP-HNNXBMFYSA-N -1 3 319.449 3.688 20 0 DHADHM CSc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000365542667 1027964313 /nfs/dbraw/zinc/96/43/13/1027964313.db2.gz AZLLUMCDKHYJAO-AWEZNQCLSA-N -1 3 313.422 3.744 20 0 DHADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1(C)C ZINC000563284743 1027981988 /nfs/dbraw/zinc/98/19/88/1027981988.db2.gz VPHUDJMXGCTUTG-QMTHXVAHSA-N -1 3 313.800 3.973 20 0 DHADHM Cn1cc([C@@H]2CCN(C(=O)c3ccccc3[O-])C2)c2ccccc21 ZINC000365765175 1028001843 /nfs/dbraw/zinc/00/18/43/1028001843.db2.gz OTKFYQDTMMEVFW-CQSZACIVSA-N -1 3 320.392 3.514 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000448744300 1028036451 /nfs/dbraw/zinc/03/64/51/1028036451.db2.gz OIVLPIDTOUPXQL-GFCCVEGCSA-N -1 3 319.351 3.823 20 0 DHADHM C[C@@H](c1ccccc1)N(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000448818553 1028102624 /nfs/dbraw/zinc/10/26/24/1028102624.db2.gz MVWVCPWKCMRVTA-ZDUSSCGKSA-N -1 3 313.372 3.826 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)C1(CCc2ccccc2)CC1 ZINC000934946515 1028167371 /nfs/dbraw/zinc/16/73/71/1028167371.db2.gz UGLLAVTVGNKGFV-UHFFFAOYSA-N -1 3 313.372 3.561 20 0 DHADHM O=C([N-]OC1CCCC1)C1(CCCOCc2ccccc2)CC1 ZINC000935240944 1028228803 /nfs/dbraw/zinc/22/88/03/1028228803.db2.gz YJMMPCBVALGNPU-UHFFFAOYSA-N -1 3 317.429 3.754 20 0 DHADHM O=C1N[C@H](c2cc(Cl)ccc2[O-])Nc2ccc(Cl)cc21 ZINC000049067769 1028358255 /nfs/dbraw/zinc/35/82/55/1028358255.db2.gz RTJBDLWANJXVFR-CYBMUJFWSA-N -1 3 309.152 3.553 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1C1CCC1 ZINC000528401694 1028388789 /nfs/dbraw/zinc/38/87/89/1028388789.db2.gz BGMJQASJAJBCRK-AWEZNQCLSA-N -1 3 324.218 3.559 20 0 DHADHM CCN(C(=O)c1ccc(C(=O)OC)[n-]1)c1ccc2ccccc2c1 ZINC000815153115 1028383985 /nfs/dbraw/zinc/38/39/85/1028383985.db2.gz BUBQYSYBBKRRLU-UHFFFAOYSA-N -1 3 322.364 3.621 20 0 DHADHM O=C(c1cccs1)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000368697900 1028396279 /nfs/dbraw/zinc/39/62/79/1028396279.db2.gz DPGMGBJWTLBQCL-UHFFFAOYSA-N -1 3 319.401 3.688 20 0 DHADHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000564546266 1028472925 /nfs/dbraw/zinc/47/29/25/1028472925.db2.gz UUYSQYKMQWHWEP-CWTRNNRKSA-N -1 3 319.360 3.797 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000626507689 1028583032 /nfs/dbraw/zinc/58/30/32/1028583032.db2.gz KASXZGITIAIJAU-MNOVXSKESA-N -1 3 301.308 3.504 20 0 DHADHM CC(F)(F)C(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000815799669 1028626918 /nfs/dbraw/zinc/62/69/18/1028626918.db2.gz BJLIBYQBPGWJIA-ZDUSSCGKSA-N -1 3 310.731 3.596 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000626809949 1028675956 /nfs/dbraw/zinc/67/59/56/1028675956.db2.gz NVLGOHMRTZHGPF-IBGZPJMESA-N -1 3 313.372 3.644 20 0 DHADHM COC(=O)c1cc(C(=O)O[C@@H]2C[C@@H](C)c3c2cccc3C)c[n-]1 ZINC000816001588 1028679396 /nfs/dbraw/zinc/67/93/96/1028679396.db2.gz WOZQJZMKGDPEKG-IAQYHMDHSA-N -1 3 313.353 3.515 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000626989971 1028702592 /nfs/dbraw/zinc/70/25/92/1028702592.db2.gz NEHJSDOTJPUDBI-UHFFFAOYSA-N -1 3 301.308 3.505 20 0 DHADHM COc1ccc(N(CC2CC2)C(=O)c2c(C)cccc2[O-])cc1 ZINC000627629010 1028790093 /nfs/dbraw/zinc/79/00/93/1028790093.db2.gz QLGJFHMEZDSENO-UHFFFAOYSA-N -1 3 311.381 3.766 20 0 DHADHM CN1CCCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233381 1028951394 /nfs/dbraw/zinc/95/13/94/1028951394.db2.gz YIEDIOCCCOQKEK-OAHLLOKOSA-N -1 3 318.804 3.622 20 0 DHADHM O=C(COc1ccc2c(c1)CCC2)Nc1c([O-])cccc1Cl ZINC000816769060 1028998126 /nfs/dbraw/zinc/99/81/26/1028998126.db2.gz SGTWZUFZSBEHRQ-UHFFFAOYSA-N -1 3 317.772 3.552 20 0 DHADHM C[C@]12CCN(C(=O)c3cc4sccc4c([O-])c3)C[C@H]1C2(F)F ZINC000816787550 1029004962 /nfs/dbraw/zinc/00/49/62/1029004962.db2.gz YVPXNZNOHQSMGO-HIFRSBDPSA-N -1 3 323.364 3.724 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)C1CCC(OC(F)F)CC1 ZINC000568214420 1029026501 /nfs/dbraw/zinc/02/65/01/1029026501.db2.gz WRJUEPMGIAVAHR-UHFFFAOYSA-N -1 3 319.735 3.782 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000816979251 1029048762 /nfs/dbraw/zinc/04/87/62/1029048762.db2.gz LFDYVMMAZAKWHJ-RNCFNFMXSA-N -1 3 320.216 3.511 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)NC1(c2ccccc2)CCCC1 ZINC000449891680 1029062313 /nfs/dbraw/zinc/06/23/13/1029062313.db2.gz LDAOZZSMMBXLMZ-UHFFFAOYSA-N -1 3 313.372 3.660 20 0 DHADHM CC[C@H](CCc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000628610326 1029103691 /nfs/dbraw/zinc/10/36/91/1029103691.db2.gz QJABEVJKBQHEAS-MRXNPFEDSA-N -1 3 315.388 3.601 20 0 DHADHM O=C(CCCOc1cccc(Cl)c1Cl)[N-]OCC1CC1 ZINC000817330846 1029129733 /nfs/dbraw/zinc/12/97/33/1029129733.db2.gz RIYZPFYTEZESQW-UHFFFAOYSA-N -1 3 318.200 3.610 20 0 DHADHM COc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000628698251 1029131207 /nfs/dbraw/zinc/13/12/07/1029131207.db2.gz QJCZWRNBHZSQKW-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817339345 1029134517 /nfs/dbraw/zinc/13/45/17/1029134517.db2.gz FHXZUURCRKXQEE-JTQLQIEISA-N -1 3 301.308 3.657 20 0 DHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)[N-]OCC1CC1 ZINC000817344363 1029135036 /nfs/dbraw/zinc/13/50/36/1029135036.db2.gz CEOPPEIUQITQJN-UHFFFAOYSA-N -1 3 323.392 3.774 20 0 DHADHM COc1cccc2c1CN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC000629113811 1029243711 /nfs/dbraw/zinc/24/37/11/1029243711.db2.gz YWWZIZROXWUAQN-UHFFFAOYSA-N -1 3 311.381 3.680 20 0 DHADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000817948535 1029290533 /nfs/dbraw/zinc/29/05/33/1029290533.db2.gz BEJBCJLTHMHXDX-AUUYWEPGSA-N -1 3 324.424 3.896 20 0 DHADHM O=C([O-])c1ccoc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629363055 1029309440 /nfs/dbraw/zinc/30/94/40/1029309440.db2.gz AXBGVXYCIXFEDG-GFCCVEGCSA-N -1 3 321.323 3.636 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC000629373234 1029315267 /nfs/dbraw/zinc/31/52/67/1029315267.db2.gz KSEFKHYWPZGZHM-RWSFTLGLSA-N -1 3 311.784 3.554 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000629373196 1029315533 /nfs/dbraw/zinc/31/55/33/1029315533.db2.gz HSMKKEGVYOLPPR-JMSVASOKSA-N -1 3 311.784 3.554 20 0 DHADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629373559 1029317576 /nfs/dbraw/zinc/31/75/76/1029317576.db2.gz JPXSUJGAEFHMOJ-RYRKJORJSA-N -1 3 316.445 3.589 20 0 DHADHM O=c1cc(CSCC[C@@H]2CC2(Cl)Cl)nc(C2CC2)[n-]1 ZINC000818153558 1029341301 /nfs/dbraw/zinc/34/13/01/1029341301.db2.gz LNMGNOAIMKEXOY-SECBINFHSA-N -1 3 319.257 3.877 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1[O-] ZINC000412157756 1029343301 /nfs/dbraw/zinc/34/33/01/1029343301.db2.gz LJTUOUCCMQKCCQ-OLZOCXBDSA-N -1 3 311.381 3.517 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000120844880 1029405987 /nfs/dbraw/zinc/40/59/87/1029405987.db2.gz SPUTXIVTKTWYEN-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)cc1[O-] ZINC000412331269 1029406259 /nfs/dbraw/zinc/40/62/59/1029406259.db2.gz UZACDWKHMBJUTG-GFCCVEGCSA-N -1 3 303.402 3.636 20 0 DHADHM CCCCC[C@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001136165820 1029436021 /nfs/dbraw/zinc/43/60/21/1029436021.db2.gz MWUKYVDMXPBFOD-JTQLQIEISA-N -1 3 322.355 3.505 20 0 DHADHM CCN(Cc1cc(C(=O)[O-])oc1C)[C@@H](C)c1cccc(OC)c1 ZINC000571053112 1029444364 /nfs/dbraw/zinc/44/43/64/1029444364.db2.gz CHQURUQUUOCMBQ-LBPRGKRZSA-N -1 3 317.385 3.878 20 0 DHADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCc1ccccc1Cl ZINC000530164670 1029767988 /nfs/dbraw/zinc/76/79/88/1029767988.db2.gz BPWAVOSBQBNERV-MRXNPFEDSA-N -1 3 319.788 3.550 20 0 DHADHM COc1cc(/C=C(\C)c2ncccn2)cc(Br)c1[O-] ZINC000821017619 1029798954 /nfs/dbraw/zinc/79/89/54/1029798954.db2.gz KJRRQRNAFBLYMG-RMKNXTFCSA-N -1 3 321.174 3.514 20 0 DHADHM CC(C)(C)Nc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451316606 1029843126 /nfs/dbraw/zinc/84/31/26/1029843126.db2.gz STYSIJCSBHLGKO-UHFFFAOYSA-N -1 3 316.376 3.923 20 0 DHADHM COC(=O)c1cnc(S[C@H](C)c2ccc3c(c2)CCC3)[n-]1 ZINC000413005286 1029908800 /nfs/dbraw/zinc/90/88/00/1029908800.db2.gz MIPCJAXBWHLGAD-SNVBAGLBSA-N -1 3 302.399 3.538 20 0 DHADHM Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c([O-])c1 ZINC001136533168 1029924513 /nfs/dbraw/zinc/92/45/13/1029924513.db2.gz POIXAJUJIGDQFO-UHFFFAOYSA-N -1 3 313.372 3.691 20 0 DHADHM COc1cc2nc(C)sc2cc1[N-]C(=O)c1cc(Cl)no1 ZINC001136565309 1029974625 /nfs/dbraw/zinc/97/46/25/1029974625.db2.gz NOHFXRAWTIWAOO-UHFFFAOYSA-N -1 3 323.761 3.507 20 0 DHADHM O=C(OCCC(F)(F)F)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080026 1030012893 /nfs/dbraw/zinc/01/28/93/1030012893.db2.gz DQAFVGWAVVDZBC-UHFFFAOYSA-N -1 3 308.206 3.610 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2ncsc2c1 ZINC000557183526 1030041941 /nfs/dbraw/zinc/04/19/41/1030041941.db2.gz IFOHPXXOFVZGCD-UHFFFAOYSA-N -1 3 304.758 3.908 20 0 DHADHM O=C(Cc1ccc(O)cc1Cl)Nc1c([O-])cccc1Cl ZINC000557182437 1030044001 /nfs/dbraw/zinc/04/40/01/1030044001.db2.gz RIJQCIIPAOFDEN-UHFFFAOYSA-N -1 3 312.152 3.586 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCCSc1ccc(OC)cc1 ZINC000794871126 1030044259 /nfs/dbraw/zinc/04/42/59/1030044259.db2.gz PSOOMBKVUMJVJA-ZDUSSCGKSA-N -1 3 311.447 3.661 20 0 DHADHM O=C(CCCOc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000533159800 1030163098 /nfs/dbraw/zinc/16/30/98/1030163098.db2.gz YBJLYCGAAMNSKP-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM CC(=O)c1ccc(C(=O)NCc2cccc3ccccc32)cc1[O-] ZINC001136702753 1030250259 /nfs/dbraw/zinc/25/02/59/1030250259.db2.gz QHHWZNAOFCEEMG-UHFFFAOYSA-N -1 3 319.360 3.678 20 0 DHADHM CCCCC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC001136773444 1030386870 /nfs/dbraw/zinc/38/68/70/1030386870.db2.gz BFVPKQLICFPVRD-MRXNPFEDSA-N -1 3 321.417 3.846 20 0 DHADHM Cc1c(CNC(=O)c2ccc(C)cc2[O-])oc2ccc(F)cc12 ZINC001136805659 1030451858 /nfs/dbraw/zinc/45/18/58/1030451858.db2.gz OAZWTUPTEZJZBE-UHFFFAOYSA-N -1 3 313.328 3.824 20 0 DHADHM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cc([O-])cc(F)c1 ZINC000925769578 1030488078 /nfs/dbraw/zinc/48/80/78/1030488078.db2.gz OSBSHFFMDRDDGU-CYBMUJFWSA-N -1 3 316.376 3.541 20 0 DHADHM CCSc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000072875051 1030586377 /nfs/dbraw/zinc/58/63/77/1030586377.db2.gz MEQSRDMOYAHXRL-UHFFFAOYSA-N -1 3 324.405 3.892 20 0 DHADHM CCOc1ccc(N[C@@H](C)c2cc([O-])cc(F)c2)cc1CO ZINC000926055868 1030590459 /nfs/dbraw/zinc/59/04/59/1030590459.db2.gz IKPIXQRQCDBVOH-NSHDSACASA-N -1 3 305.349 3.595 20 0 DHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1(C)C ZINC001136924082 1030614056 /nfs/dbraw/zinc/61/40/56/1030614056.db2.gz NXJDTIKZOSHHDM-DLBZAZTESA-N -1 3 319.445 3.791 20 0 DHADHM C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc(F)c1 ZINC000926142539 1030630238 /nfs/dbraw/zinc/63/02/38/1030630238.db2.gz KURVJZZCIQVKDR-RMLUDKJBSA-N -1 3 309.287 3.594 20 0 DHADHM Cc1cc(=O)[nH]c2cc(Nc3ccc([O-])c(F)c3F)ccc12 ZINC001212011139 1030655025 /nfs/dbraw/zinc/65/50/25/1030655025.db2.gz UQOYSGLYMVGUER-UHFFFAOYSA-N -1 3 302.280 3.976 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]CC2(C)CCCCC2)c(F)cc1F ZINC001212045764 1030720937 /nfs/dbraw/zinc/72/09/37/1030720937.db2.gz LRAFWSMJFWDVKJ-UHFFFAOYSA-N -1 3 317.401 3.522 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)CC3CCCC3)n[n-]2)o1 ZINC000359004672 1030726504 /nfs/dbraw/zinc/72/65/04/1030726504.db2.gz UVILEKKORZOITI-SNVBAGLBSA-N -1 3 302.378 3.528 20 0 DHADHM O=c1cc(Nc2cccc(OC(F)F)c2)[n-]n1-c1ccccc1 ZINC001212058994 1030770706 /nfs/dbraw/zinc/77/07/06/1030770706.db2.gz WWGAXLICFWAEGK-UHFFFAOYSA-N -1 3 317.295 3.923 20 0 DHADHM O=C(NCc1ncccc1[O-])[C@@H](c1ccccc1)C1CCCCC1 ZINC001143631177 1030867065 /nfs/dbraw/zinc/86/70/65/1030867065.db2.gz XCPSXLULRYJGCD-IBGZPJMESA-N -1 3 324.424 3.768 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000292229462 1030890822 /nfs/dbraw/zinc/89/08/22/1030890822.db2.gz PMGTWUTYHVXCGL-CYBMUJFWSA-N -1 3 316.401 3.677 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@]34C[C@H]3CCCC4)c2)n1 ZINC000870213949 1030944625 /nfs/dbraw/zinc/94/46/25/1030944625.db2.gz IBIKCPSAOWLIBI-AUUYWEPGSA-N -1 3 324.380 3.643 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(C2CC2)[nH]c1C1CC1 ZINC000626297832 1030950862 /nfs/dbraw/zinc/95/08/62/1030950862.db2.gz WDKJNUQCMJXBSL-UHFFFAOYSA-N -1 3 300.333 3.867 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000292585333 1031082785 /nfs/dbraw/zinc/08/27/85/1031082785.db2.gz GWTUNZYHSMZNRL-DLBZAZTESA-N -1 3 317.429 3.545 20 0 DHADHM Cc1ccc(CCCC(=O)[N-]OCCCC(F)(F)F)s1 ZINC000871212725 1031163082 /nfs/dbraw/zinc/16/30/82/1031163082.db2.gz AQWKVKQHNKCRQE-UHFFFAOYSA-N -1 3 309.353 3.770 20 0 DHADHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc([S@@](C)=O)cc1 ZINC000292744152 1031153398 /nfs/dbraw/zinc/15/33/98/1031153398.db2.gz APFOTVMMRDFBBB-WIUDPPPLSA-N -1 3 323.845 3.634 20 0 DHADHM O=C([O-])CC[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000871622028 1031249723 /nfs/dbraw/zinc/24/97/23/1031249723.db2.gz WRAFVQUFSDXLLO-QDOCKXBDSA-N -1 3 309.356 3.555 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c1[O-] ZINC000536693266 1031396057 /nfs/dbraw/zinc/39/60/57/1031396057.db2.gz KAHSJAXJXMBOAU-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM CCc1ccc([C@@H](COC)N[C@H](C)c2cccc([O-])c2F)o1 ZINC000872037350 1031422392 /nfs/dbraw/zinc/42/23/92/1031422392.db2.gz AZCIALHAMHDFOH-BXUZGUMPSA-N -1 3 307.365 3.725 20 0 DHADHM C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144277282 1031431530 /nfs/dbraw/zinc/43/15/30/1031431530.db2.gz JPLWQFJIBPEYGD-FTGAXOIBSA-N -1 3 322.202 3.696 20 0 DHADHM COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872045048 1031432992 /nfs/dbraw/zinc/43/29/92/1031432992.db2.gz HVPZNJZFFJERNL-FZMZJTMJSA-N -1 3 317.360 3.714 20 0 DHADHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1cccc([O-])c1F ZINC000872048251 1031435664 /nfs/dbraw/zinc/43/56/64/1031435664.db2.gz HZVRFBVBRAFFGK-ZANVPECISA-N -1 3 307.752 3.969 20 0 DHADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc([S@@](C)=O)cc1 ZINC000872050459 1031438581 /nfs/dbraw/zinc/43/85/81/1031438581.db2.gz ATFQYIJSPJMHDL-YEZLUTFDSA-N -1 3 321.417 3.681 20 0 DHADHM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1cccc([O-])c1F ZINC000872056392 1031444946 /nfs/dbraw/zinc/44/49/46/1031444946.db2.gz QZYSBDSWEKJOCN-LBPRGKRZSA-N -1 3 314.360 3.831 20 0 DHADHM CCOc1ccc(N[C@H](C)c2cccc([O-])c2F)cc1CO ZINC000872059618 1031452488 /nfs/dbraw/zinc/45/24/88/1031452488.db2.gz JHMWSESYPFKZQL-LLVKDONJSA-N -1 3 305.349 3.595 20 0 DHADHM COc1ccccc1C1(N[C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872081421 1031477010 /nfs/dbraw/zinc/47/70/10/1031477010.db2.gz GWGYEQUWFJFEIS-LBPRGKRZSA-N -1 3 301.361 3.880 20 0 DHADHM COc1cccc(C2(NCc3cccc([O-])c3Cl)CC2)c1 ZINC000293735380 1031596310 /nfs/dbraw/zinc/59/63/10/1031596310.db2.gz ZPRRJCBALJHHLZ-UHFFFAOYSA-N -1 3 303.789 3.833 20 0 DHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1c1ccncc1 ZINC000293955772 1031718926 /nfs/dbraw/zinc/71/89/26/1031718926.db2.gz PJZSFDKCPWVYQR-INIZCTEOSA-N -1 3 304.340 3.649 20 0 DHADHM [O-]c1ccc(CNCc2cnc([C@@H]3CCCO3)s2)cc1Cl ZINC000873179754 1031741923 /nfs/dbraw/zinc/74/19/23/1031741923.db2.gz UCRQIEYDTSHKGY-AWEZNQCLSA-N -1 3 324.833 3.643 20 0 DHADHM O=C(OCc1nc2c(o1)CCCC2)c1cc(Cl)c(Cl)[n-]1 ZINC000873340754 1031799765 /nfs/dbraw/zinc/79/97/65/1031799765.db2.gz BAVGBZSXUORTBR-UHFFFAOYSA-N -1 3 315.156 3.545 20 0 DHADHM COc1ccccc1C[C@@H](C)N(C)Cc1cc(F)c([O-])cc1F ZINC001144659373 1031814160 /nfs/dbraw/zinc/81/41/60/1031814160.db2.gz GLRGAVCTRASGTA-GFCCVEGCSA-N -1 3 321.367 3.742 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1CF ZINC000294280244 1031916247 /nfs/dbraw/zinc/91/62/47/1031916247.db2.gz ZTFMVDCGBPKJLU-INIZCTEOSA-N -1 3 313.372 3.557 20 0 DHADHM O=C(Cc1ccc2ccccc2c1)[N-]OCCCC(F)(F)F ZINC000842032057 1031950189 /nfs/dbraw/zinc/95/01/89/1031950189.db2.gz NUWRNUKLLFRTNN-UHFFFAOYSA-N -1 3 311.303 3.773 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)ccnc1Cl ZINC001144870587 1032019154 /nfs/dbraw/zinc/01/91/54/1032019154.db2.gz SIYAMELGNYLJBC-UHFFFAOYSA-N -1 3 304.630 3.544 20 0 DHADHM Cc1cccc(OCCCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777960066 1032044800 /nfs/dbraw/zinc/04/48/00/1032044800.db2.gz OHEPBUPVOFWXEJ-UHFFFAOYSA-N -1 3 305.418 3.925 20 0 DHADHM O=C(Cc1cc(Cl)ccc1Cl)[N-]OC1CCCCC1 ZINC000777961794 1032048762 /nfs/dbraw/zinc/04/87/62/1032048762.db2.gz RRIHXTDIJRAMLZ-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM Cc1c(F)nccc1Nc1cc(Br)cc(F)c1[O-] ZINC001212844692 1033299023 /nfs/dbraw/zinc/29/90/23/1033299023.db2.gz GYUUZIMPZOIJOC-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM C[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccccc2[O-])o1 ZINC000877936640 1033521996 /nfs/dbraw/zinc/52/19/96/1033521996.db2.gz BGEPKEHMWRUWLD-CYBMUJFWSA-N -1 3 321.380 3.784 20 0 DHADHM Cc1ccccc1[C@@H](C)N(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877987218 1033545299 /nfs/dbraw/zinc/54/52/99/1033545299.db2.gz BHUSOYUQBHPKCO-CQSZACIVSA-N -1 3 323.396 3.944 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000553093504 1033592736 /nfs/dbraw/zinc/59/27/36/1033592736.db2.gz GWRFPJWNYIJTFH-QGZVFWFLSA-N -1 3 310.397 3.573 20 0 DHADHM O=C(OCc1coc(-c2cccc(F)c2)n1)c1ccc([O-])cc1 ZINC000030725950 1033607467 /nfs/dbraw/zinc/60/74/67/1033607467.db2.gz JKIREFKQRAXJGL-UHFFFAOYSA-N -1 3 313.284 3.543 20 0 DHADHM Cc1cccc(C)c1CCNC(=O)c1cc([O-])ccc1Cl ZINC000479017508 1033636063 /nfs/dbraw/zinc/63/60/63/1033636063.db2.gz XCZDKDQUIRZLSP-UHFFFAOYSA-N -1 3 303.789 3.635 20 0 DHADHM CCc1cccc(C(=O)N2CCc3cc(Cl)ccc32)c1[O-] ZINC000553294900 1033649232 /nfs/dbraw/zinc/64/92/32/1033649232.db2.gz VEUFTNOOCUXMGE-UHFFFAOYSA-N -1 3 301.773 3.811 20 0 DHADHM Cc1ccc([C@@H](C)NCc2nnc(-c3ccccc3[O-])o2)s1 ZINC000878416844 1033697749 /nfs/dbraw/zinc/69/77/49/1033697749.db2.gz SNHRWKYLMBHBCN-LLVKDONJSA-N -1 3 315.398 3.663 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CCc3ccc(C)cc3C)n[n-]2)o1 ZINC000479478833 1033770706 /nfs/dbraw/zinc/77/07/06/1033770706.db2.gz OBGYCUIIKPRGRJ-UHFFFAOYSA-N -1 3 324.384 3.561 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)CC/C=C\c3ccccc3)n[n-]2)o1 ZINC000479469782 1033776295 /nfs/dbraw/zinc/77/62/95/1033776295.db2.gz IKNBHCAIBMUHKN-UITAMQMPSA-N -1 3 322.368 3.805 20 0 DHADHM Cc1ccccc1C(C)(C)NCc1nnc(-c2ccccc2[O-])o1 ZINC000878651375 1033784414 /nfs/dbraw/zinc/78/44/14/1033784414.db2.gz ARMFTESKDNTOPK-UHFFFAOYSA-N -1 3 323.396 3.776 20 0 DHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862728183 1033918836 /nfs/dbraw/zinc/91/88/36/1033918836.db2.gz SWFADCJNFXXQMA-NEPJUHHUSA-N -1 3 319.451 3.717 20 0 DHADHM Cn1ccc2cc(Nc3cc(=O)n(-c4ccccc4)[n-]3)ccc21 ZINC001174097256 1034106817 /nfs/dbraw/zinc/10/68/17/1034106817.db2.gz HPCDHXLCSNUBCY-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM CC(C)NC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174151447 1034178015 /nfs/dbraw/zinc/17/80/15/1034178015.db2.gz QEFXSDDUCSOCTR-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM CC(C)c1nnc([N-]c2cccc(C(=O)N3CCCCC3)c2)o1 ZINC001174172992 1034196423 /nfs/dbraw/zinc/19/64/23/1034196423.db2.gz FUTZPNCCNHVBTQ-UHFFFAOYSA-N -1 3 314.389 3.563 20 0 DHADHM CC(C)NC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174185536 1034204814 /nfs/dbraw/zinc/20/48/14/1034204814.db2.gz DDXDFWJQSIEPIO-UHFFFAOYSA-N -1 3 306.312 3.552 20 0 DHADHM COc1cc(CSCc2nc(C)cc(=O)[n-]2)ccc1Cl ZINC000842174620 1034265130 /nfs/dbraw/zinc/26/51/30/1034265130.db2.gz GKJSFESRZHZMSQ-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2cc(C)nc(Cl)c2)n1 ZINC000842175272 1034276751 /nfs/dbraw/zinc/27/67/51/1034276751.db2.gz POKYLUPSEBYLKB-UHFFFAOYSA-N -1 3 309.822 3.535 20 0 DHADHM CCCn1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000179639490 1034322177 /nfs/dbraw/zinc/32/21/77/1034322177.db2.gz RNLWKRXLKUJSAR-UHFFFAOYSA-N -1 3 307.781 3.521 20 0 DHADHM CCC[C@@H](NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000185030054 1034522924 /nfs/dbraw/zinc/52/29/24/1034522924.db2.gz RBHYKTGEJJACEX-CYBMUJFWSA-N -1 3 324.833 3.806 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cnc(C2CC2)nc1 ZINC001174617525 1034541397 /nfs/dbraw/zinc/54/13/97/1034541397.db2.gz ZGBHEDBJTKURMM-UHFFFAOYSA-N -1 3 324.153 3.705 20 0 DHADHM COc1cc(Nc2ccnc(C(C)(C)C)c2)ccc1C(=O)[O-] ZINC001174682450 1034547138 /nfs/dbraw/zinc/54/71/38/1034547138.db2.gz JWKZLZXHGGMWFK-UHFFFAOYSA-N -1 3 300.358 3.830 20 0 DHADHM [O-]c1c(Cl)cccc1Nc1ccc(N2CCOCC2)cc1 ZINC001174708395 1034572778 /nfs/dbraw/zinc/57/27/78/1034572778.db2.gz AVJOKNLTGFSLLN-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H](c2ccsc2)O1 ZINC000186251748 1034613646 /nfs/dbraw/zinc/61/36/46/1034613646.db2.gz AEXSGGSZHMSKGS-BDJLRTHQSA-N -1 3 307.390 3.555 20 0 DHADHM Cc1oc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2c1C ZINC000186450913 1034633422 /nfs/dbraw/zinc/63/34/22/1034633422.db2.gz VKMKQVJOMPFVRK-HNNXBMFYSA-N -1 3 304.346 3.629 20 0 DHADHM Cc1oc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2c1C ZINC000186450913 1034633429 /nfs/dbraw/zinc/63/34/29/1034633429.db2.gz VKMKQVJOMPFVRK-HNNXBMFYSA-N -1 3 304.346 3.629 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cccc2cccnc21 ZINC001174857112 1034647362 /nfs/dbraw/zinc/64/73/62/1034647362.db2.gz VXZJINQKSITUMH-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM CC(C)(C)OCc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001174911176 1034675928 /nfs/dbraw/zinc/67/59/28/1034675928.db2.gz OVDNFXQGJQSPCP-UHFFFAOYSA-N -1 3 305.403 3.530 20 0 DHADHM COC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175100118 1034780738 /nfs/dbraw/zinc/78/07/38/1034780738.db2.gz GVHFCOBEOXPOTO-UHFFFAOYSA-N -1 3 313.687 3.854 20 0 DHADHM COc1cc(Nc2c(F)cc([O-])cc2F)c(C(C)=O)cc1OC ZINC001175100496 1034782215 /nfs/dbraw/zinc/78/22/15/1034782215.db2.gz OLVHMOCNRYTXOV-UHFFFAOYSA-N -1 3 323.295 3.634 20 0 DHADHM CCOc1cc(Nc2c(F)cc([O-])cc2F)cc(C(=O)OC)c1 ZINC001175100089 1034782418 /nfs/dbraw/zinc/78/24/18/1034782418.db2.gz UXWXNNJIUCGZAW-UHFFFAOYSA-N -1 3 323.295 3.599 20 0 DHADHM CC1(C)COC(c2cccc(Nc3c(F)cc([O-])cc3F)c2)=N1 ZINC001175103712 1034786548 /nfs/dbraw/zinc/78/65/48/1034786548.db2.gz XBFWQMMLDLPHPV-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM Cc1nc(Br)ccc1Nc1c(F)ccc([O-])c1F ZINC001175263425 1034912648 /nfs/dbraw/zinc/91/26/48/1034912648.db2.gz UJHWFUVZDVQTON-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CC(C)c1nc2ccc(Nc3c(F)ccc([O-])c3F)cn2n1 ZINC001175265284 1034914446 /nfs/dbraw/zinc/91/44/46/1034914446.db2.gz KNRGDYXJMYABRS-UHFFFAOYSA-N -1 3 304.300 3.580 20 0 DHADHM O=C1CCCc2cc(Nc3c(F)ccc([O-])c3F)ccc2N1 ZINC001175270028 1034915709 /nfs/dbraw/zinc/91/57/09/1034915709.db2.gz SLAQOYGNWACKPV-UHFFFAOYSA-N -1 3 304.296 3.689 20 0 DHADHM CO[C@@H]1CCOc2c(Nc3c(F)ccc([O-])c3F)cccc21 ZINC001175269123 1034916008 /nfs/dbraw/zinc/91/60/08/1034916008.db2.gz CUJQAYXGOFLAHL-CYBMUJFWSA-N -1 3 307.296 3.884 20 0 DHADHM COC(Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1)OC ZINC001175271078 1034918522 /nfs/dbraw/zinc/91/85/22/1034918522.db2.gz QSPIMPVCZIHOQF-UHFFFAOYSA-N -1 3 309.312 3.575 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C)c(C)s1 ZINC000667931053 1034936617 /nfs/dbraw/zinc/93/66/17/1034936617.db2.gz VPDUBGVGWGOEDL-UHFFFAOYSA-N -1 3 308.428 3.743 20 0 DHADHM CCC[C@@H](C)CCCSc1nc(=O)[n-]c(C)c1C(=O)OC ZINC000600510476 1034962237 /nfs/dbraw/zinc/96/22/37/1034962237.db2.gz AJCVHIZUDYWKLZ-SNVBAGLBSA-N -1 3 312.435 3.586 20 0 DHADHM Cc1nc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001175428812 1034977774 /nfs/dbraw/zinc/97/77/74/1034977774.db2.gz LYEDLYHNNKJDMI-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM FC(F)(F)Oc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428883 1034979131 /nfs/dbraw/zinc/97/91/31/1034979131.db2.gz PNOGULLTGAEQBE-UHFFFAOYSA-N -1 3 321.262 3.509 20 0 DHADHM Cc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175432627 1034980352 /nfs/dbraw/zinc/98/03/52/1034980352.db2.gz JZRHVRWAWTXWBB-UHFFFAOYSA-N -1 3 303.728 3.711 20 0 DHADHM CC(C)OCc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430106 1034981145 /nfs/dbraw/zinc/98/11/45/1034981145.db2.gz FNSMSJSATUCFDY-UHFFFAOYSA-N -1 3 309.373 3.535 20 0 DHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1 ZINC000148268425 1035085716 /nfs/dbraw/zinc/08/57/16/1035085716.db2.gz PDZPEZKRRAJAOS-UHFFFAOYSA-N -1 3 324.833 3.846 20 0 DHADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1 ZINC000148322813 1035135045 /nfs/dbraw/zinc/13/50/45/1035135045.db2.gz QCBOPMWLMLBDAU-UHFFFAOYSA-N -1 3 324.833 3.676 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)CCc1cc(C)cs1 ZINC001176183176 1035214198 /nfs/dbraw/zinc/21/41/98/1035214198.db2.gz OAUZLZPZOXDHRM-UHFFFAOYSA-N -1 3 303.383 3.536 20 0 DHADHM COc1c(Cl)cc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001176310925 1035250418 /nfs/dbraw/zinc/25/04/18/1035250418.db2.gz ZRCXJKXFLMYUKV-UHFFFAOYSA-N -1 3 303.120 3.985 20 0 DHADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000483809723 1035301077 /nfs/dbraw/zinc/30/10/77/1035301077.db2.gz XFUZRNKRYMJMGT-BXUZGUMPSA-N -1 3 308.397 3.545 20 0 DHADHM CCC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000484088658 1035318500 /nfs/dbraw/zinc/31/85/00/1035318500.db2.gz LLKLEVDXWRQWFS-CYBMUJFWSA-N -1 3 310.357 3.587 20 0 DHADHM CC(C)CCC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000904039292 1035350103 /nfs/dbraw/zinc/35/01/03/1035350103.db2.gz XAQXMPGROOQLTF-CQSZACIVSA-N -1 3 301.789 3.848 20 0 DHADHM CCc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045985 1035352448 /nfs/dbraw/zinc/35/24/48/1035352448.db2.gz TVXOUXJKHFXRSW-OAHLLOKOSA-N -1 3 307.390 3.755 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc2cccnc2o1 ZINC000904027024 1035353487 /nfs/dbraw/zinc/35/34/87/1035353487.db2.gz SIARHNPRKZDPOZ-QGZVFWFLSA-N -1 3 324.380 3.696 20 0 DHADHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(C)(C)C ZINC000485106244 1035472923 /nfs/dbraw/zinc/47/29/23/1035472923.db2.gz NLBNFURTDPTFKV-JTQLQIEISA-N -1 3 312.373 3.839 20 0 DHADHM CN(CCc1cccc2ccccc21)C(=O)c1ccc(O)cc1[O-] ZINC000195355137 1035559671 /nfs/dbraw/zinc/55/96/71/1035559671.db2.gz MHCCWGHWNCKSDU-UHFFFAOYSA-N -1 3 321.376 3.566 20 0 DHADHM COc1ccc([C@@H](C)NCc2csc(C(=O)[O-])c2)cc1C ZINC000905772595 1035651530 /nfs/dbraw/zinc/65/15/30/1035651530.db2.gz ZHUBIHNILVWATF-LLVKDONJSA-N -1 3 305.399 3.614 20 0 DHADHM O=C([O-])C[C@@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000905811331 1035664490 /nfs/dbraw/zinc/66/44/90/1035664490.db2.gz ROJNPYNPSXLHGO-ZJUUUORDSA-N -1 3 302.201 3.726 20 0 DHADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193732958 1035711558 /nfs/dbraw/zinc/71/15/58/1035711558.db2.gz CNHATTGTTBTJAP-AOOOYVTPSA-N -1 3 301.308 3.814 20 0 DHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ncc(Cl)cc1Cl ZINC001121037858 1035765349 /nfs/dbraw/zinc/76/53/49/1035765349.db2.gz RVLCBUHXYYEJEM-UHFFFAOYSA-N -1 3 312.156 3.815 20 0 DHADHM CCCCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001180832383 1035765895 /nfs/dbraw/zinc/76/58/95/1035765895.db2.gz IPQXSMBINCZSAW-UHFFFAOYSA-N -1 3 304.419 3.534 20 0 DHADHM O=c1cc(-c2nc(CCC3CCCCC3)no2)nc(C2CC2)[n-]1 ZINC000906101811 1035766653 /nfs/dbraw/zinc/76/66/53/1035766653.db2.gz LVUCWWCRNHSHCO-UHFFFAOYSA-N -1 3 314.389 3.623 20 0 DHADHM CCc1cccc(C(=O)NC2(c3nc(C)cs3)CCC2)c1[O-] ZINC000539844938 1035901661 /nfs/dbraw/zinc/90/16/61/1035901661.db2.gz VJKOXMLLLRMFPY-UHFFFAOYSA-N -1 3 316.426 3.529 20 0 DHADHM O=C(Nc1ccccc1C(F)F)c1cnc(C(F)(F)F)[n-]1 ZINC001194782095 1036018237 /nfs/dbraw/zinc/01/82/37/1036018237.db2.gz NDRBNZLLABOJRQ-UHFFFAOYSA-N -1 3 305.206 3.618 20 0 DHADHM O=C(Nc1cncc([O-])c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001182358744 1036256731 /nfs/dbraw/zinc/25/67/31/1036256731.db2.gz FZOOJIDCZKMJBP-OLZOCXBDSA-N -1 3 322.286 3.548 20 0 DHADHM CC(C)c1noc([C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)n1 ZINC000914895493 1036435138 /nfs/dbraw/zinc/43/51/38/1036435138.db2.gz GJYXYCLIASOZCB-LURJTMIESA-N -1 3 318.160 3.746 20 0 DHADHM COc1ccccc1NC(=S)Nc1c([O-])cccc1Cl ZINC001196252296 1036483412 /nfs/dbraw/zinc/48/34/12/1036483412.db2.gz WNRMJCOZQBTLIT-UHFFFAOYSA-N -1 3 308.790 3.863 20 0 DHADHM C[C@@H]1c2ccccc2CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001196402796 1036521774 /nfs/dbraw/zinc/52/17/74/1036521774.db2.gz OKNUHHSSTRZMMY-GFCCVEGCSA-N -1 3 307.353 3.519 20 0 DHADHM CCc1cccc(C(=O)Nc2nc(-c3ccccc3)co2)c1[O-] ZINC001183432728 1036593286 /nfs/dbraw/zinc/59/32/86/1036593286.db2.gz OGAMSYHLDJWJRX-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM [O-]c1ccc(CNCc2ccc(-c3cnco3)cc2)c(F)c1F ZINC001184178429 1036755553 /nfs/dbraw/zinc/75/55/53/1036755553.db2.gz ORQZVRZQXBDOFH-UHFFFAOYSA-N -1 3 316.307 3.615 20 0 DHADHM CC(C)C(=O)Nc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001197500500 1036793704 /nfs/dbraw/zinc/79/37/04/1036793704.db2.gz GYWRWIDTWKUOLJ-UHFFFAOYSA-N -1 3 312.329 3.668 20 0 DHADHM [O-]c1cccc2sc(NC(=S)Nc3cccc(F)c3)nc21 ZINC001197604676 1036819809 /nfs/dbraw/zinc/81/98/09/1036819809.db2.gz HNBICXIFHKXBTA-UHFFFAOYSA-N -1 3 319.386 3.950 20 0 DHADHM CCOc1ccccc1/C=C\C(=O)Nc1cccc([O-])c1F ZINC000492296931 1036820553 /nfs/dbraw/zinc/82/05/53/1036820553.db2.gz GZJFHDXFGLRYME-KHPPLWFESA-N -1 3 301.317 3.582 20 0 DHADHM O=C([N-]c1cnoc1)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198139483 1036952733 /nfs/dbraw/zinc/95/27/33/1036952733.db2.gz RFNOHPZZAUDASE-UHFFFAOYSA-N -1 3 308.618 3.738 20 0 DHADHM O=C(NCCc1ccccc1)Nc1cc2ccccc2cc1[O-] ZINC001184939339 1036969613 /nfs/dbraw/zinc/96/96/13/1036969613.db2.gz CUDGFHSGUFAEFN-UHFFFAOYSA-N -1 3 306.365 3.910 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000668844748 1036984515 /nfs/dbraw/zinc/98/45/15/1036984515.db2.gz QBTSEJVCZUSXMO-TYNCELHUSA-N -1 3 305.443 3.907 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2cc(C)[nH]c21 ZINC001198572220 1037062564 /nfs/dbraw/zinc/06/25/64/1037062564.db2.gz ZIKNJYCRRZTLTQ-UHFFFAOYSA-N -1 3 308.337 3.637 20 0 DHADHM O=C([N-]c1cc(Cl)cc2ncoc21)c1cnc(C2CC2)o1 ZINC001185223060 1037068934 /nfs/dbraw/zinc/06/89/34/1037068934.db2.gz FPADSOMLQBEXAB-UHFFFAOYSA-N -1 3 303.705 3.599 20 0 DHADHM [O-]c1cccc(C(F)(F)F)c1NC(=S)NC1CCCC1 ZINC001198553320 1037071621 /nfs/dbraw/zinc/07/16/21/1037071621.db2.gz AXGMZRJBLMVRDQ-UHFFFAOYSA-N -1 3 304.337 3.640 20 0 DHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000176389569 1037137160 /nfs/dbraw/zinc/13/71/60/1037137160.db2.gz GXJPVVGWNCPJFJ-CHWSQXEVSA-N -1 3 316.376 3.523 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2scnc2C(C)(C)C)s1 ZINC000176626818 1037151931 /nfs/dbraw/zinc/15/19/31/1037151931.db2.gz UXUJWVOUXQTHNF-UHFFFAOYSA-N -1 3 324.475 3.887 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnccc1OC1CCC1 ZINC001198879205 1037159300 /nfs/dbraw/zinc/15/93/00/1037159300.db2.gz MQDCZLAOEXFDKK-UHFFFAOYSA-N -1 3 318.760 3.624 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1F ZINC001185521352 1037167342 /nfs/dbraw/zinc/16/73/42/1037167342.db2.gz RGEGSYIOMMHRFM-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)c1ccc(F)cc1 ZINC000775932152 1037192763 /nfs/dbraw/zinc/19/27/63/1037192763.db2.gz DECGFTXUWOLAHW-SECBINFHSA-N -1 3 322.719 3.613 20 0 DHADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC000489001060 1037224972 /nfs/dbraw/zinc/22/49/72/1037224972.db2.gz HHUGJEPENWWUQB-NRUUGDAUSA-N -1 3 319.829 3.582 20 0 DHADHM CC(C)(C)OC1CC(CC(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000489059378 1037252627 /nfs/dbraw/zinc/25/26/27/1037252627.db2.gz INHZEBSHMYOIOX-UHFFFAOYSA-N -1 3 311.809 3.968 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)NC(c2ccccc2)c2ccccc2)n1 ZINC000177912961 1037283706 /nfs/dbraw/zinc/28/37/06/1037283706.db2.gz RBYLHQXQXHRSRX-HNNXBMFYSA-N -1 3 319.408 3.931 20 0 DHADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nn1CC1CCC1 ZINC001199580257 1037285953 /nfs/dbraw/zinc/28/59/53/1037285953.db2.gz IGBWHYVEJVUYFC-UHFFFAOYSA-N -1 3 319.792 3.603 20 0 DHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000074983577 1037290261 /nfs/dbraw/zinc/29/02/61/1037290261.db2.gz TXCTYPFAHKMWRU-UHFFFAOYSA-N -1 3 323.389 3.804 20 0 DHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C3=CCCC3)nc(=O)c2c1C ZINC000761556240 1037361805 /nfs/dbraw/zinc/36/18/05/1037361805.db2.gz MRRMXYOYZSABCT-VIFPVBQESA-N -1 3 318.398 3.728 20 0 DHADHM [O-]c1cccc2sc(NC(=S)NCC3CCCCC3)nc21 ZINC001199915988 1037365981 /nfs/dbraw/zinc/36/59/81/1037365981.db2.gz YOQYAOUVTJKXHA-UHFFFAOYSA-N -1 3 321.471 3.869 20 0 DHADHM COCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000088490953 1037451193 /nfs/dbraw/zinc/45/11/93/1037451193.db2.gz LGVADGQGRAPWLB-UHFFFAOYSA-N -1 3 313.423 3.940 20 0 DHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000055975709 1037503781 /nfs/dbraw/zinc/50/37/81/1037503781.db2.gz ZEFQPNWAKYSOMS-UHFFFAOYSA-N -1 3 308.407 3.508 20 0 DHADHM CC(C)CC(CC(C)C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913358031 1037823591 /nfs/dbraw/zinc/82/35/91/1037823591.db2.gz VLMNKXNIGDPCFW-UHFFFAOYSA-N -1 3 315.421 3.514 20 0 DHADHM CC(C)CC(CC(C)C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913358031 1037823610 /nfs/dbraw/zinc/82/36/10/1037823610.db2.gz VLMNKXNIGDPCFW-UHFFFAOYSA-N -1 3 315.421 3.514 20 0 DHADHM CC(=O)c1ncccc1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188168039 1037830332 /nfs/dbraw/zinc/83/03/32/1037830332.db2.gz WNLDKJBTQMNNOM-UHFFFAOYSA-N -1 3 312.369 3.674 20 0 DHADHM Cc1cc(C)c(C(=O)COC(=O)c2ccc([O-])cc2)c(C)c1C ZINC000005693858 1037889581 /nfs/dbraw/zinc/88/95/81/1037889581.db2.gz ITMSJNOJKXICBE-UHFFFAOYSA-N -1 3 312.365 3.666 20 0 DHADHM CN(Cc1cccc2ccccc21)C(=O)c1c([O-])cccc1O ZINC000125695896 1037950195 /nfs/dbraw/zinc/95/01/95/1037950195.db2.gz XOJGCMNSQZSGRQ-UHFFFAOYSA-N -1 3 307.349 3.523 20 0 DHADHM Cc1ccc(Cl)cc1NC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001188701512 1037960239 /nfs/dbraw/zinc/96/02/39/1037960239.db2.gz SRSNJAUYXMOKOV-UHFFFAOYSA-N -1 3 318.764 3.665 20 0 DHADHM Cc1c(NC(=O)c2c([O-])cccc2O)sc2c1CCCC2 ZINC000125815668 1037965823 /nfs/dbraw/zinc/96/58/23/1037965823.db2.gz ZTGJZKCYZHZAEX-UHFFFAOYSA-N -1 3 303.383 3.599 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccccc1Cl ZINC001202062905 1037997405 /nfs/dbraw/zinc/99/74/05/1037997405.db2.gz KSQQUDBCZGFIFY-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1OC ZINC000054892861 1038000485 /nfs/dbraw/zinc/00/04/85/1038000485.db2.gz YEVHFMHOEZKWTG-VCHYOVAHSA-N -1 3 305.761 3.682 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1Cl ZINC000494372337 1038075996 /nfs/dbraw/zinc/07/59/96/1038075996.db2.gz YUORSKUMOUNPMG-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cccc(Cl)c1 ZINC001202238895 1038130909 /nfs/dbraw/zinc/13/09/09/1038130909.db2.gz OYMDXWFMDHIOEM-UHFFFAOYSA-N -1 3 305.643 3.991 20 0 DHADHM Cc1ncc(NC(=O)Nc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC001189699745 1038193913 /nfs/dbraw/zinc/19/39/13/1038193913.db2.gz UFUMQHZQCGXUDM-UHFFFAOYSA-N -1 3 320.352 3.802 20 0 DHADHM CC(C)(C)Sc1ccccc1[N-]S(=O)(=O)CCCF ZINC001189919379 1038229668 /nfs/dbraw/zinc/22/96/68/1038229668.db2.gz AKUIBNAVRADVCJ-UHFFFAOYSA-N -1 3 305.440 3.679 20 0 DHADHM CC1(C)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571887339 1038258837 /nfs/dbraw/zinc/25/88/37/1038258837.db2.gz DAKFFKFSXHRQAD-GFCCVEGCSA-N -1 3 302.201 3.851 20 0 DHADHM CC(C)C[C@@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccccc1 ZINC001190918422 1038409737 /nfs/dbraw/zinc/40/97/37/1038409737.db2.gz VUVCMCVRXNIDMW-CQSZACIVSA-N -1 3 318.804 3.958 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cccc(Oc3ccccc3)n2)n1 ZINC001191136414 1038456811 /nfs/dbraw/zinc/45/68/11/1038456811.db2.gz XCRBLPLSVLDOKP-UHFFFAOYSA-N -1 3 321.336 3.535 20 0 DHADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCCCCCC1 ZINC000058204817 1038990437 /nfs/dbraw/zinc/99/04/37/1038990437.db2.gz IOKLGFAAAFUGHW-UHFFFAOYSA-N -1 3 322.503 3.817 20 0 DHADHM C[C@H](CCc1ccccc1)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000061142303 1039047263 /nfs/dbraw/zinc/04/72/63/1039047263.db2.gz JIZMFCIDYCWUFR-CYBMUJFWSA-N -1 3 310.353 3.848 20 0 DHADHM C[C@H](CCc1ccccc1)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000061142303 1039047282 /nfs/dbraw/zinc/04/72/82/1039047282.db2.gz JIZMFCIDYCWUFR-CYBMUJFWSA-N -1 3 310.353 3.848 20 0 DHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc[nH]1 ZINC000760957139 1039153738 /nfs/dbraw/zinc/15/37/38/1039153738.db2.gz HHBHKLMGGHTSCI-AWEZNQCLSA-N -1 3 320.392 3.802 20 0 DHADHM Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3)[n-]c(=O)c12 ZINC000605026017 1039609069 /nfs/dbraw/zinc/60/90/69/1039609069.db2.gz TXBCLWJEPZOISD-UHFFFAOYSA-N -1 3 304.271 3.917 20 0 DHADHM CS[C@@H]1CCCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000593744787 1039610478 /nfs/dbraw/zinc/61/04/78/1039610478.db2.gz XCIYUENUPKQHPH-GFCCVEGCSA-N -1 3 313.850 3.756 20 0 DHADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(C)cc1 ZINC000606365000 1039848054 /nfs/dbraw/zinc/84/80/54/1039848054.db2.gz FEERXTARZXMUTO-ZDUSSCGKSA-N -1 3 324.384 3.896 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccccn2)n1 ZINC000062639167 1039921098 /nfs/dbraw/zinc/92/10/98/1039921098.db2.gz LHLLTZILWZZZAK-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM COc1ccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000574884888 1040057790 /nfs/dbraw/zinc/05/77/90/1040057790.db2.gz XZHCUGIEEMNAHG-UHFFFAOYSA-N -1 3 317.360 3.526 20 0 DHADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1C(F)(F)F ZINC000608348671 1040466965 /nfs/dbraw/zinc/46/69/65/1040466965.db2.gz QIYLPOHHZYVYQP-VIFPVBQESA-N -1 3 310.275 3.548 20 0 DHADHM COc1ccc(N(CC2CC2)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000456176132 1040733518 /nfs/dbraw/zinc/73/35/18/1040733518.db2.gz JPDDSUZTYQUBDR-UHFFFAOYSA-N -1 3 311.381 3.766 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCSc2ccccc21 ZINC000534208965 1040748418 /nfs/dbraw/zinc/74/84/18/1040748418.db2.gz CXVPDEZDWUVDDO-LLVKDONJSA-N -1 3 303.358 3.749 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC12CCC(CC1)CC2 ZINC000456279202 1040751868 /nfs/dbraw/zinc/75/18/68/1040751868.db2.gz MBEYJLVMMXJOTQ-UHFFFAOYSA-N -1 3 305.393 3.693 20 0 DHADHM O=C(c1ccccc1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000092429889 185317756 /nfs/dbraw/zinc/31/77/56/185317756.db2.gz PSHLHKLHSSNVPX-GOEBONIOSA-N -1 3 315.413 3.536 20 0 DHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1ncc(C(C)(C)C)s1 ZINC000417539632 334958847 /nfs/dbraw/zinc/95/88/47/334958847.db2.gz VVDHSWPXCJBYII-VXGBXAGGSA-N -1 3 312.479 3.810 20 0 DHADHM Cc1cccc([C@H](NCc2cccc(C)c2F)C(=O)[O-])c1C ZINC000417563078 334984092 /nfs/dbraw/zinc/98/40/92/334984092.db2.gz NCYQWJODERVABX-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM C[C@@H](CCC(=O)[O-])CNCc1ccc(F)c(Cl)c1Cl ZINC000417575989 334995295 /nfs/dbraw/zinc/99/52/95/334995295.db2.gz YMWYNNVTKVTFTG-QMMMGPOBSA-N -1 3 308.180 3.723 20 0 DHADHM COCc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417591987 335000011 /nfs/dbraw/zinc/00/00/11/335000011.db2.gz DSADTJXBMAUGAZ-GOSISDBHSA-N -1 3 313.397 3.529 20 0 DHADHM COc1cc(C)ccc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417600413 335003101 /nfs/dbraw/zinc/00/31/01/335003101.db2.gz JHZLRXXCUTUICS-QGZVFWFLSA-N -1 3 313.397 3.699 20 0 DHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1ccsc1Cl ZINC000417608541 335007122 /nfs/dbraw/zinc/00/71/22/335007122.db2.gz JEOGEXXOUYGQKR-GFCCVEGCSA-N -1 3 301.839 3.915 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000417615702 335009040 /nfs/dbraw/zinc/00/90/40/335009040.db2.gz AEDQETVTBGBLPD-QWHCGFSZSA-N -1 3 307.802 3.804 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000417615700 335009117 /nfs/dbraw/zinc/00/91/17/335009117.db2.gz AEDQETVTBGBLPD-OLZOCXBDSA-N -1 3 307.802 3.804 20 0 DHADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000417615705 335009148 /nfs/dbraw/zinc/00/91/48/335009148.db2.gz AEDQETVTBGBLPD-STQMWFEESA-N -1 3 307.802 3.804 20 0 DHADHM CC(C)C[C@@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000417616529 335009365 /nfs/dbraw/zinc/00/93/65/335009365.db2.gz AZNJETXPLMASBK-AWEZNQCLSA-N -1 3 318.442 3.647 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1ccc(Cl)s1)C(=O)[O-] ZINC000417623775 335018015 /nfs/dbraw/zinc/01/80/15/335018015.db2.gz JIHKCXMSILTDKP-LLVKDONJSA-N -1 3 319.879 3.644 20 0 DHADHM CCc1cccc(F)c1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417623377 335018128 /nfs/dbraw/zinc/01/81/28/335018128.db2.gz JPIGKLGUXQRYGX-QAPCUYQASA-N -1 3 313.372 3.791 20 0 DHADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(C3CC3)cc2)c2ccccc21 ZINC000417629970 335018878 /nfs/dbraw/zinc/01/88/78/335018878.db2.gz QOFFEVMIMQTGHN-RBUKOAKNSA-N -1 3 307.393 3.967 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000417631027 335019214 /nfs/dbraw/zinc/01/92/14/335019214.db2.gz WYCCGICKXHQUST-CYBMUJFWSA-N -1 3 304.415 3.543 20 0 DHADHM CSc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417636737 335021434 /nfs/dbraw/zinc/02/14/34/335021434.db2.gz YCYHGOFLIOGWAK-UONOGXRCSA-N -1 3 319.451 3.873 20 0 DHADHM CCCOc1cccc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417644930 335024357 /nfs/dbraw/zinc/02/43/57/335024357.db2.gz BDTQGNUFUKUYNM-UHFFFAOYSA-N -1 3 313.397 3.772 20 0 DHADHM C[C@H]([C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417640995 335025794 /nfs/dbraw/zinc/02/57/94/335025794.db2.gz OAFPBNUDZCXGBH-SJCJKPOMSA-N -1 3 315.369 3.661 20 0 DHADHM CC[C@@H](CCNCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000417647302 335029892 /nfs/dbraw/zinc/02/98/92/335029892.db2.gz HMBCOIFVDOPHEG-NSHDSACASA-N -1 3 322.405 3.540 20 0 DHADHM Cc1ccc(F)c(CN[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000417649030 335030245 /nfs/dbraw/zinc/03/02/45/335030245.db2.gz IMGZQOHEJRTPJI-GOSISDBHSA-N -1 3 315.388 3.536 20 0 DHADHM CC[C@H](CCNCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000417669747 335035880 /nfs/dbraw/zinc/03/58/80/335035880.db2.gz MUCUFQYSLDCQOW-LLVKDONJSA-N -1 3 323.339 3.815 20 0 DHADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1cc(F)ccc1F ZINC000064472105 184298305 /nfs/dbraw/zinc/29/83/05/184298305.db2.gz HFEVKRAZSGVJRC-UHFFFAOYSA-N -1 3 315.279 3.576 20 0 DHADHM Cc1ccc(C)n1C1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272415943 130029352 /nfs/dbraw/zinc/02/93/52/130029352.db2.gz JMQUPPQJPJWZFF-UHFFFAOYSA-N -1 3 312.413 3.596 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([O-])c(C)c1)CCC2 ZINC000272557819 130040429 /nfs/dbraw/zinc/04/04/29/130040429.db2.gz ZPPRZMOMFSIFPS-CQSZACIVSA-N -1 3 316.426 3.615 20 0 DHADHM COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)ccc1[O-] ZINC000272594455 130045632 /nfs/dbraw/zinc/04/56/32/130045632.db2.gz JBNYUYHGOOUHQM-GXTWGEPZSA-N -1 3 315.369 3.607 20 0 DHADHM Cc1cc(C(=O)Nc2cnccc2OC(C)(C)C)ccc1[O-] ZINC000272679561 130052495 /nfs/dbraw/zinc/05/24/95/130052495.db2.gz RPOLJWVGMHGCAL-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000272699055 130055591 /nfs/dbraw/zinc/05/55/91/130055591.db2.gz SUEZEPFTBYIGOI-UHFFFAOYSA-N -1 3 308.712 3.651 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC000273355646 130111223 /nfs/dbraw/zinc/11/12/23/130111223.db2.gz CREURDUREWZJAL-GFCCVEGCSA-N -1 3 318.442 3.848 20 0 DHADHM CCCN(CCc1cccs1)C(=O)c1ccc(OC)cc1[O-] ZINC000274360452 130228734 /nfs/dbraw/zinc/22/87/34/130228734.db2.gz TYIPHAVKRKPWOR-UHFFFAOYSA-N -1 3 319.426 3.557 20 0 DHADHM CC(=O)c1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274416729 130233074 /nfs/dbraw/zinc/23/30/74/130233074.db2.gz WYAGEVRRTURFRR-LBPRGKRZSA-N -1 3 309.365 3.749 20 0 DHADHM [O-]c1cc(F)cc(CN2CCC(OC3CCCCC3)CC2)c1 ZINC000274634703 130250687 /nfs/dbraw/zinc/25/06/87/130250687.db2.gz ZVYNFHSYYNVJLQ-UHFFFAOYSA-N -1 3 307.409 3.845 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000285034796 131132450 /nfs/dbraw/zinc/13/24/50/131132450.db2.gz GDCYHNHDQUTVQC-UHFFFAOYSA-N -1 3 301.824 3.848 20 0 DHADHM COc1ccc(F)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000286136203 131221575 /nfs/dbraw/zinc/22/15/75/131221575.db2.gz QXIWKWNUMZPKLT-NSHDSACASA-N -1 3 315.344 3.694 20 0 DHADHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000340263675 131306086 /nfs/dbraw/zinc/30/60/86/131306086.db2.gz JVQGXIMYTHUGAP-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1Cc2ccccc21 ZINC000340311986 131373426 /nfs/dbraw/zinc/37/34/26/131373426.db2.gz DXIWKLSIDHZIRQ-LBPRGKRZSA-N -1 3 307.271 3.689 20 0 DHADHM Fc1cc(F)c2c(c1)[C@@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000295000381 131876880 /nfs/dbraw/zinc/87/68/80/131876880.db2.gz RRWLXSBCGIIVLW-JTQLQIEISA-N -1 3 301.243 3.775 20 0 DHADHM CN1CCCN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000340562083 132001143 /nfs/dbraw/zinc/00/11/43/132001143.db2.gz CMQGOWXQKFXMMU-UHFFFAOYSA-N -1 3 316.788 3.532 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(F)c3)n[n-]2)o1 ZINC000340572817 132022082 /nfs/dbraw/zinc/02/20/82/132022082.db2.gz VGHPQZDRTGDCHB-UHFFFAOYSA-N -1 3 303.268 3.509 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(F)c3)[n-]n2)o1 ZINC000340572817 132022083 /nfs/dbraw/zinc/02/20/83/132022083.db2.gz VGHPQZDRTGDCHB-UHFFFAOYSA-N -1 3 303.268 3.509 20 0 DHADHM CC(C)C[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442943966 338439895 /nfs/dbraw/zinc/43/98/95/338439895.db2.gz MYDBEXSSUCVMEG-VIFPVBQESA-N -1 3 305.296 3.912 20 0 DHADHM COc1cc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1[O-] ZINC000442952993 338440082 /nfs/dbraw/zinc/44/00/82/338440082.db2.gz MOKRWJAZYAGINT-HIFRSBDPSA-N -1 3 305.418 3.736 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc3occc3s2)s1 ZINC000605457208 435339465 /nfs/dbraw/zinc/33/94/65/435339465.db2.gz WQRNWMWSOPYHJQ-UHFFFAOYSA-N -1 3 307.400 3.896 20 0 DHADHM CCc1cc([N-]C(=O)c2csc(-c3ccccc3C)n2)no1 ZINC000606890813 435343548 /nfs/dbraw/zinc/34/35/48/435343548.db2.gz NJXVJLOKSCZBKC-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM COc1ccc(-c2noc([N-][C@@H](C)c3cnc(C)s3)n2)cc1 ZINC000631473555 435402102 /nfs/dbraw/zinc/40/21/02/435402102.db2.gz ZXJYUPVOBHLPGR-VIFPVBQESA-N -1 3 316.386 3.683 20 0 DHADHM Cc1cc(C(F)F)oc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000626432872 435393108 /nfs/dbraw/zinc/39/31/08/435393108.db2.gz LAXXLMLUFFACRP-UHFFFAOYSA-N -1 3 324.331 3.875 20 0 DHADHM Cc1cn(C2CCCCC2)nc1NC(=O)c1c(C)cccc1[O-] ZINC000626429412 435393294 /nfs/dbraw/zinc/39/32/94/435393294.db2.gz OBJQCNGQPLVLHV-UHFFFAOYSA-N -1 3 313.401 3.963 20 0 DHADHM CCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(C)c1 ZINC000448764749 332812095 /nfs/dbraw/zinc/81/20/95/332812095.db2.gz UGQNVTBIYCQQNJ-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1[O-] ZINC000570906715 332839519 /nfs/dbraw/zinc/83/95/19/332839519.db2.gz DSHKPWJEMPACIQ-MJEQTWJJSA-N -1 3 315.413 3.636 20 0 DHADHM Cc1cc2cc(C(=O)NCc3ccc([O-])c(F)c3)oc2cc1C ZINC000174207040 332847130 /nfs/dbraw/zinc/84/71/30/332847130.db2.gz SYKNVXUBHCKBAW-UHFFFAOYSA-N -1 3 313.328 3.824 20 0 DHADHM C[C@H](Cc1cccc(F)c1)C(=O)N1CCCc2cccc([O-])c21 ZINC000182910042 331555016 /nfs/dbraw/zinc/55/50/16/331555016.db2.gz XNPQKLLRWUUSRM-CYBMUJFWSA-N -1 3 313.372 3.689 20 0 DHADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618789 331608437 /nfs/dbraw/zinc/60/84/37/331608437.db2.gz ICYWYKDGXMOHIC-UHFFFAOYSA-N -1 3 319.788 3.971 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc2c(c1)CCCC2 ZINC000556778080 331730885 /nfs/dbraw/zinc/73/08/85/331730885.db2.gz KRMOGPNWLXSYHL-ZDUSSCGKSA-N -1 3 323.440 3.789 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1csc([C@@H]2CCCO2)n1 ZINC000557183954 331775207 /nfs/dbraw/zinc/77/52/07/331775207.db2.gz RIJFETFLAJAKGP-NSHDSACASA-N -1 3 324.789 3.606 20 0 DHADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c1 ZINC000557737394 331812803 /nfs/dbraw/zinc/81/28/03/331812803.db2.gz WMOOYTDXILXRRI-GUYCJALGSA-N -1 3 311.381 3.624 20 0 DHADHM Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c([O-])c1 ZINC000091991846 332099546 /nfs/dbraw/zinc/09/95/46/332099546.db2.gz RCEJDFOMSNPEGH-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM Cc1noc([N-]C(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C ZINC000410525804 332148899 /nfs/dbraw/zinc/14/88/99/332148899.db2.gz MYWANQUGWZXOKV-TUKIKUTGSA-N -1 3 308.422 3.707 20 0 DHADHM CCC1CCC(c2noc(-c3ccc(C(=O)OC)[n-]3)n2)CC1 ZINC000426423033 332149122 /nfs/dbraw/zinc/14/91/22/332149122.db2.gz YRYCMNSKTIXCMN-UHFFFAOYSA-N -1 3 303.362 3.535 20 0 DHADHM O=C([O-])[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccsc1 ZINC000426791348 332153823 /nfs/dbraw/zinc/15/38/23/332153823.db2.gz IAKDAXXQPLUEDT-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM CCC[C@@H](C)C[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426794047 332154506 /nfs/dbraw/zinc/15/45/06/332154506.db2.gz QCNGWMCWTUAWDF-MFKMUULPSA-N -1 3 301.789 3.848 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1cccc(F)c1 ZINC000426798422 332154836 /nfs/dbraw/zinc/15/48/36/332154836.db2.gz ITBHXFYGCIVRAN-CQSZACIVSA-N -1 3 311.715 3.534 20 0 DHADHM Cc1ccc(-c2nc(CN[C@H](CC(=O)[O-])C(C)C)cs2)cc1 ZINC000426829325 332155916 /nfs/dbraw/zinc/15/59/16/332155916.db2.gz OUJJXNOAEOTOJQ-OAHLLOKOSA-N -1 3 318.442 3.707 20 0 DHADHM CCCSC[C@@H](NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000426817267 332157404 /nfs/dbraw/zinc/15/74/04/332157404.db2.gz BEUNPEQSPRZLTM-GFCCVEGCSA-N -1 3 322.257 3.679 20 0 DHADHM CCCSC[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426818966 332157601 /nfs/dbraw/zinc/15/76/01/332157601.db2.gz UKALIMDOUKTNNV-NSHDSACASA-N -1 3 322.257 3.679 20 0 DHADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426824748 332157872 /nfs/dbraw/zinc/15/78/72/332157872.db2.gz JIOYUQVEZPTXNU-MRXNPFEDSA-N -1 3 303.789 3.954 20 0 DHADHM Cc1ccc(-c2nnc(NC(=O)C3CCC(C)(C)CC3)[n-]2)o1 ZINC000426990382 332164094 /nfs/dbraw/zinc/16/40/94/332164094.db2.gz HYSVCQKWLXDUHZ-UHFFFAOYSA-N -1 3 302.378 3.528 20 0 DHADHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCC(C)(C)CC3)n2)o1 ZINC000426990382 332164096 /nfs/dbraw/zinc/16/40/96/332164096.db2.gz HYSVCQKWLXDUHZ-UHFFFAOYSA-N -1 3 302.378 3.528 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)C3CCC(C)(C)CC3)n[n-]2)o1 ZINC000426990382 332164098 /nfs/dbraw/zinc/16/40/98/332164098.db2.gz HYSVCQKWLXDUHZ-UHFFFAOYSA-N -1 3 302.378 3.528 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN1c1ccccc1 ZINC000426987713 332164201 /nfs/dbraw/zinc/16/42/01/332164201.db2.gz VHDOCISSGVWZNJ-OAHLLOKOSA-N -1 3 316.788 3.653 20 0 DHADHM CC1(C)CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000094805574 332266784 /nfs/dbraw/zinc/26/67/84/332266784.db2.gz WTPMPLRIZAPGCN-UHFFFAOYSA-N -1 3 307.390 3.971 20 0 DHADHM CCC(CC)(NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000094242936 332273208 /nfs/dbraw/zinc/27/32/08/332273208.db2.gz AXJNGXHCFAPAKO-UHFFFAOYSA-N -1 3 304.415 3.543 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)c1cccc(F)c1 ZINC000559907828 332291302 /nfs/dbraw/zinc/29/13/02/332291302.db2.gz QIUNJWYICQATTP-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000531114242 332337575 /nfs/dbraw/zinc/33/75/75/332337575.db2.gz CNSNGNCGXNTAIX-UHFFFAOYSA-N -1 3 323.270 3.598 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560598919 332367646 /nfs/dbraw/zinc/36/76/46/332367646.db2.gz ZBAUWKIEMZBTIY-JGVFFNPUSA-N -1 3 307.699 3.963 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000560611788 332368229 /nfs/dbraw/zinc/36/82/29/332368229.db2.gz IJMIAIFIBCBESL-SFYZADRCSA-N -1 3 307.699 3.963 20 0 DHADHM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1cccc([O-])c1F ZINC000560613525 332368308 /nfs/dbraw/zinc/36/83/08/332368308.db2.gz IBTVEZZHUZEJQZ-GFCCVEGCSA-N -1 3 312.344 3.761 20 0 DHADHM CCOC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCCC1 ZINC000560713190 332380250 /nfs/dbraw/zinc/38/02/50/332380250.db2.gz XKRQFMFBIVOQMI-UHFFFAOYSA-N -1 3 305.418 3.978 20 0 DHADHM COCc1ncsc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000560713830 332380295 /nfs/dbraw/zinc/38/02/95/332380295.db2.gz AJAGZYWNBDHBIF-UHFFFAOYSA-N -1 3 320.414 3.545 20 0 DHADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccc2n1 ZINC000390216537 332422139 /nfs/dbraw/zinc/42/21/39/332422139.db2.gz GKXJRFCNVKLZBB-UHFFFAOYSA-N -1 3 303.321 3.966 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1[O-] ZINC000150945733 332460448 /nfs/dbraw/zinc/46/04/48/332460448.db2.gz BDLGDVHPCQTCHR-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM COc1cc(-c2noc(-c3cc4ccccc4n3C)n2)ccc1[O-] ZINC000561743972 332489287 /nfs/dbraw/zinc/48/92/87/332489287.db2.gz GFNFXHUIRCSCQE-UHFFFAOYSA-N -1 3 321.336 3.610 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(Cl)sc2[nH]1 ZINC000562346006 332582758 /nfs/dbraw/zinc/58/27/58/332582758.db2.gz WDVMPNDIHIFCOZ-UHFFFAOYSA-N -1 3 310.737 3.980 20 0 DHADHM COc1cc(-c2noc(-c3cc(C)ccc3[O-])n2)ccc1F ZINC000318296884 332642298 /nfs/dbraw/zinc/64/22/98/332642298.db2.gz PKTFINNAEURTRC-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM COc1cccc(C(=O)N2CCCc3c(C)cc(C)cc32)c1[O-] ZINC000171288190 332643381 /nfs/dbraw/zinc/64/33/81/332643381.db2.gz ZYXAIPYEFNMSTE-UHFFFAOYSA-N -1 3 311.381 3.611 20 0 DHADHM CC(=O)c1cccc(NC(=O)C(C)(C)c2cccs2)c1[O-] ZINC000570427241 332754440 /nfs/dbraw/zinc/75/44/40/332754440.db2.gz APEWBAFNIPIBPJ-UHFFFAOYSA-N -1 3 303.383 3.573 20 0 DHADHM CS[C@@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000580206207 333006713 /nfs/dbraw/zinc/00/67/13/333006713.db2.gz VMERKSGVPGGGOL-CYBMUJFWSA-N -1 3 313.850 3.756 20 0 DHADHM [O-]c1ccccc1-c1nc(CSc2ccccc2F)no1 ZINC000109479134 333013776 /nfs/dbraw/zinc/01/37/76/333013776.db2.gz NUCAHAHXXXGKHJ-UHFFFAOYSA-N -1 3 302.330 3.874 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2NC(C)(C)C)c1 ZINC000466466489 333022159 /nfs/dbraw/zinc/02/21/59/333022159.db2.gz UODZUNDBPLHGIA-UHFFFAOYSA-N -1 3 314.385 3.864 20 0 DHADHM Cc1cc(Cl)ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182926275 333050158 /nfs/dbraw/zinc/05/01/58/333050158.db2.gz NSIMNHOHBWCTTI-UHFFFAOYSA-N -1 3 301.773 3.947 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1F ZINC000313881481 333074686 /nfs/dbraw/zinc/07/46/86/333074686.db2.gz LPNLGCYVQJOUND-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM CCC[C@]1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000173652021 333076385 /nfs/dbraw/zinc/07/63/85/333076385.db2.gz LSAQJWXTQQUOET-LJQANCHMSA-N -1 3 312.413 3.571 20 0 DHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181871666 333135553 /nfs/dbraw/zinc/13/55/53/333135553.db2.gz TXWUXGSDGPAZHH-GUOLPTJISA-N -1 3 316.788 3.673 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000179544582 333152414 /nfs/dbraw/zinc/15/24/14/333152414.db2.gz BYHXWAUOHSXWDV-UHFFFAOYSA-N -1 3 323.392 3.791 20 0 DHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cn2ccnc2s1 ZINC000188055761 333158402 /nfs/dbraw/zinc/15/84/02/333158402.db2.gz OEVYRXCKRFSEIU-UHFFFAOYSA-N -1 3 313.716 3.580 20 0 DHADHM O=C(CCCc1ccccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000582033813 333175796 /nfs/dbraw/zinc/17/57/96/333175796.db2.gz WHWRXPSVODOWHB-UHFFFAOYSA-N -1 3 321.779 3.824 20 0 DHADHM Cc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)oc1C(=O)[O-] ZINC000582067769 333196980 /nfs/dbraw/zinc/19/69/80/333196980.db2.gz IAOQAKPHEXOHGL-JSGCOSHPSA-N -1 3 317.360 3.803 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2Cl)cs1)c1csnn1 ZINC000110813324 333327970 /nfs/dbraw/zinc/32/79/70/333327970.db2.gz LNFUFFWSUYCZQD-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000365021426 333334521 /nfs/dbraw/zinc/33/45/21/333334521.db2.gz QZKIOSWDXSCGJO-AAEUAGOBSA-N -1 3 313.401 3.778 20 0 DHADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531230794 333336520 /nfs/dbraw/zinc/33/65/20/333336520.db2.gz DPHGTGWUGKFYTH-NWDGAFQWSA-N -1 3 315.335 3.799 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000531429542 333351654 /nfs/dbraw/zinc/35/16/54/333351654.db2.gz QTTMQYKRYHNVTJ-UHFFFAOYSA-N -1 3 308.337 3.972 20 0 DHADHM Cc1ccc(NC(=O)c2cc(F)cc(Br)c2)c([O-])c1 ZINC000040436845 333353156 /nfs/dbraw/zinc/35/31/56/333353156.db2.gz DNCSYUVVQGMOKH-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM COc1cc(C)cc(-c2nc(CCc3ccccc3)no2)c1[O-] ZINC000184865018 333367609 /nfs/dbraw/zinc/36/76/09/333367609.db2.gz FWPXJVJTUNLNCN-UHFFFAOYSA-N -1 3 310.353 3.544 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc(Br)o3)no2)c([O-])c1 ZINC000184876546 333367801 /nfs/dbraw/zinc/36/78/01/333367801.db2.gz OBOZSQDXDYDEKJ-UHFFFAOYSA-N -1 3 321.130 3.773 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1csc(-c2cnccn2)n1 ZINC000186935366 333381714 /nfs/dbraw/zinc/38/17/14/333381714.db2.gz LAGPEBAYALUGCG-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM Cc1ccc(OCC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000533971570 333552486 /nfs/dbraw/zinc/55/24/86/333552486.db2.gz MUMJNUBRBXXRJH-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM O=C(COC/C=C/c1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000533972963 333552663 /nfs/dbraw/zinc/55/26/63/333552663.db2.gz SYKSZORXYCTRBF-QPJJXVBHSA-N -1 3 317.772 3.714 20 0 DHADHM [O-]c1cncc(/C=C/c2nc(CCCc3ccsc3)no2)c1 ZINC000445231018 333625053 /nfs/dbraw/zinc/62/50/53/333625053.db2.gz APRODZZYDZZPNS-SNAWJCMRSA-N -1 3 313.382 3.577 20 0 DHADHM O=c1cc(CSCc2ncc(Cl)s2)nc(C2CC2)[n-]1 ZINC000563622528 333639402 /nfs/dbraw/zinc/63/94/02/333639402.db2.gz JIQFNIQDTKRACI-UHFFFAOYSA-N -1 3 313.835 3.603 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1[O-] ZINC000411338028 333657255 /nfs/dbraw/zinc/65/72/55/333657255.db2.gz JFKBIKLKKNMYGM-CYBMUJFWSA-N -1 3 311.381 3.736 20 0 DHADHM CC(C)(Cc1ccccc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000571614100 333821180 /nfs/dbraw/zinc/82/11/80/333821180.db2.gz YOJFMDCQXKOQQL-UHFFFAOYSA-N -1 3 319.368 3.528 20 0 DHADHM O=C(c1cccc([O-])c1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413996786 333884030 /nfs/dbraw/zinc/88/40/30/333884030.db2.gz UNUBXJUVMOTYNS-SFHVURJKSA-N -1 3 307.393 3.802 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(F)c1 ZINC000414409429 333965322 /nfs/dbraw/zinc/96/53/22/333965322.db2.gz MXAACMKHXFBVID-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(CC)CC3)c2)n1 ZINC000267229804 333981049 /nfs/dbraw/zinc/98/10/49/333981049.db2.gz YXBOCFHRUWYGEX-UHFFFAOYSA-N -1 3 311.385 3.540 20 0 DHADHM COc1cc(-c2noc(-c3cccc(C)c3F)n2)ccc1[O-] ZINC000436866521 334013182 /nfs/dbraw/zinc/01/31/82/334013182.db2.gz YWMOKMCXSIDEEC-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM [O-]C(=NOC1CCCC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000271880023 334028266 /nfs/dbraw/zinc/02/82/66/334028266.db2.gz YXGBXIWHHRVJBO-UHFFFAOYSA-N -1 3 308.353 3.753 20 0 DHADHM O=C([N-]OC1CCCC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000271880023 334028267 /nfs/dbraw/zinc/02/82/67/334028267.db2.gz YXGBXIWHHRVJBO-UHFFFAOYSA-N -1 3 308.353 3.753 20 0 DHADHM CN(CCCC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414637884 334049809 /nfs/dbraw/zinc/04/98/09/334049809.db2.gz NGNLIUAMDZKKEM-UHFFFAOYSA-N -1 3 309.312 3.521 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(/C=C\c3ccccc3)cs2)on1 ZINC000343523409 335174629 /nfs/dbraw/zinc/17/46/29/335174629.db2.gz GBPXEPXWOKFNTK-FPLPWBNLSA-N -1 3 311.366 3.862 20 0 DHADHM Cc1cc(C(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)on1 ZINC000343523400 335174683 /nfs/dbraw/zinc/17/46/83/335174683.db2.gz GBPXEPXWOKFNTK-BQYQJAHWSA-N -1 3 311.366 3.862 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(F)c(Cl)c1Cl ZINC000414674042 334066041 /nfs/dbraw/zinc/06/60/41/334066041.db2.gz DUUGQAILEVWGDG-UHFFFAOYSA-N -1 3 308.180 3.867 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CNCCCCC(=O)[O-])o1 ZINC000414687728 334069431 /nfs/dbraw/zinc/06/94/31/334069431.db2.gz XJMPLLVOUOVDEP-UHFFFAOYSA-N -1 3 305.349 3.739 20 0 DHADHM CC(C)Cn1ncc(-c2nc(-c3ccc([O-])cc3)no2)c1C1CC1 ZINC000280337478 334116362 /nfs/dbraw/zinc/11/63/62/334116362.db2.gz QZRHCLKMOXOAGU-UHFFFAOYSA-N -1 3 324.384 3.839 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1cc(-c2ccncc2)on1 ZINC000187869574 334311891 /nfs/dbraw/zinc/31/18/91/334311891.db2.gz GLLCNDSEOYBGIO-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2COc3ccccc3C2)c1[O-] ZINC000534705927 334328841 /nfs/dbraw/zinc/32/88/41/334328841.db2.gz UDFXTDDLPPKCGN-LBPRGKRZSA-N -1 3 317.772 3.544 20 0 DHADHM C[C@H](CSc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000534709907 334331538 /nfs/dbraw/zinc/33/15/38/334331538.db2.gz OUJYUXPGXXXAMT-LLVKDONJSA-N -1 3 305.374 3.898 20 0 DHADHM O=C([N-]c1nc(CC(F)(F)F)cs1)c1sccc1F ZINC000341322521 334429842 /nfs/dbraw/zinc/42/98/42/334429842.db2.gz OYRVJVBXDIEIKQ-UHFFFAOYSA-N -1 3 310.297 3.701 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000341355440 334440174 /nfs/dbraw/zinc/44/01/74/334440174.db2.gz LBJNKDZOTCRZQN-CVEARBPZSA-N -1 3 304.349 3.683 20 0 DHADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000341782701 334480728 /nfs/dbraw/zinc/48/07/28/334480728.db2.gz JKTYRPRTYNLNJZ-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443561443 338454679 /nfs/dbraw/zinc/45/46/79/338454679.db2.gz AUKHJXUYBOETRR-TVQRCGJNSA-N -1 3 303.280 3.666 20 0 DHADHM Cc1cccc(OC(F)F)c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417016998 334688792 /nfs/dbraw/zinc/68/87/92/334688792.db2.gz GLNZEXKYLSCVPW-UHFFFAOYSA-N -1 3 321.327 3.582 20 0 DHADHM CCOc1cc(Cl)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417018537 334688861 /nfs/dbraw/zinc/68/88/61/334688861.db2.gz KHCOVRZXVIGMLQ-UHFFFAOYSA-N -1 3 319.792 3.724 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)CCOc2ccccc2)c1[O-] ZINC000535420225 334731039 /nfs/dbraw/zinc/73/10/39/334731039.db2.gz YCOXMOTUECLLIV-UHFFFAOYSA-N -1 3 305.761 3.762 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442229409 334923227 /nfs/dbraw/zinc/92/32/27/334923227.db2.gz LRRWUMFLGOVKGN-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM C[C@H]1CC[C@@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000444470043 338473900 /nfs/dbraw/zinc/47/39/00/338473900.db2.gz VEQYWWBGIAZTRW-SUMWQHHRSA-N -1 3 323.392 3.542 20 0 DHADHM CC(C)[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000444520922 338474578 /nfs/dbraw/zinc/47/45/78/338474578.db2.gz KLWXBAXHIVOTFM-AWEZNQCLSA-N -1 3 317.429 3.614 20 0 DHADHM CC[C@H](C)c1cc(C(=O)[N-]c2scc(C)c2C(=O)OC)on1 ZINC000344904378 335284376 /nfs/dbraw/zinc/28/43/76/335284376.db2.gz JVWRAZNNCGGPLG-QMMMGPOBSA-N -1 3 322.386 3.597 20 0 DHADHM CCO[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)C(C)C ZINC000345129219 335303938 /nfs/dbraw/zinc/30/39/38/335303938.db2.gz IZELBJSGTDITRD-XJKSGUPXSA-N -1 3 305.418 3.684 20 0 DHADHM O=c1nc(-c2ccncn2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000345383996 335322145 /nfs/dbraw/zinc/32/21/45/335322145.db2.gz HDBSCCXKPNSHAB-UHFFFAOYSA-N -1 3 324.340 3.660 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000345934927 335362206 /nfs/dbraw/zinc/36/22/06/335362206.db2.gz JBYPVMJXCCIKFG-ZBAXXZLZSA-N -1 3 312.369 3.554 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1 ZINC000345937939 335362249 /nfs/dbraw/zinc/36/22/49/335362249.db2.gz XMPZXFTXJUMTKT-UHFFFAOYSA-N -1 3 324.302 3.843 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000345940186 335362535 /nfs/dbraw/zinc/36/25/35/335362535.db2.gz ZQCRPVOADCPQEE-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM CC[C@H](CC(=O)Nc1nc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000345947038 335362937 /nfs/dbraw/zinc/36/29/37/335362937.db2.gz VLPPWRZFLXMZMY-CYBMUJFWSA-N -1 3 314.385 3.627 20 0 DHADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(C)ccc1[O-] ZINC000345919388 335365434 /nfs/dbraw/zinc/36/54/34/335365434.db2.gz BOLCQFJZBTXHJT-ZDUSSCGKSA-N -1 3 320.776 3.545 20 0 DHADHM CCOc1nc2cc(C(=O)N([C@H](C)C(C)C)C3CC3)ccc2[n-]1 ZINC000346282782 335392164 /nfs/dbraw/zinc/39/21/64/335392164.db2.gz MZFMXMUPOPMWPZ-GFCCVEGCSA-N -1 3 315.417 3.611 20 0 DHADHM CCOc1nc2ccc(C(=O)N([C@H](C)C(C)C)C3CC3)cc2[n-]1 ZINC000346282782 335392165 /nfs/dbraw/zinc/39/21/65/335392165.db2.gz MZFMXMUPOPMWPZ-GFCCVEGCSA-N -1 3 315.417 3.611 20 0 DHADHM O=C([N-]c1cc(F)cc(F)c1F)c1ncccc1C(F)(F)F ZINC000348113091 335554603 /nfs/dbraw/zinc/55/46/03/335554603.db2.gz DXQFJQCWTBPVCM-UHFFFAOYSA-N -1 3 320.192 3.770 20 0 DHADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc([O-])c1F ZINC000535659721 335710734 /nfs/dbraw/zinc/71/07/34/335710734.db2.gz UHIZHFZSJVEASL-HUBLWGQQSA-N -1 3 309.381 3.844 20 0 DHADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1csc(=O)[n-]1 ZINC000350004231 335717182 /nfs/dbraw/zinc/71/71/82/335717182.db2.gz NXDFFHJRSRPYKY-LBPRGKRZSA-N -1 3 316.426 3.852 20 0 DHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922115 335888735 /nfs/dbraw/zinc/88/87/35/335888735.db2.gz AEEFMIMAXZDZDE-DTWKUNHWSA-N -1 3 305.296 3.912 20 0 DHADHM CCOc1ccccc1CSCc1nc(CC)cc(=O)[n-]1 ZINC000532163133 335906623 /nfs/dbraw/zinc/90/66/23/335906623.db2.gz ZRSOEHVSZYICQP-UHFFFAOYSA-N -1 3 304.415 3.577 20 0 DHADHM Cc1ccc(F)c(OCC(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000532264646 335927241 /nfs/dbraw/zinc/92/72/41/335927241.db2.gz MQKDXWLWBGMLRW-UHFFFAOYSA-N -1 3 323.751 3.819 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccn(C4CCCCC4)n3)n2)cc1 ZINC000520458257 335980268 /nfs/dbraw/zinc/98/02/68/335980268.db2.gz OHTUGRPRZPHMJG-UHFFFAOYSA-N -1 3 310.357 3.811 20 0 DHADHM C[C@@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)c2c([O-])cccc21 ZINC000329825036 336086668 /nfs/dbraw/zinc/08/66/68/336086668.db2.gz IBSNXWNURCZJPJ-CHWSQXEVSA-N -1 3 316.401 3.522 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C3CC3)no2)c1 ZINC000331593865 336141628 /nfs/dbraw/zinc/14/16/28/336141628.db2.gz YFGNUZYKVGVEBT-UHFFFAOYSA-N -1 3 300.358 3.807 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c2c([O-])cccc21 ZINC000332213223 336163148 /nfs/dbraw/zinc/16/31/48/336163148.db2.gz JKRRWZVTHQYRBK-JHJVBQTASA-N -1 3 316.401 3.574 20 0 DHADHM Cc1nc([C@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)sc1C ZINC000351997959 336187224 /nfs/dbraw/zinc/18/72/24/336187224.db2.gz WWDYVVMNXNVNPG-AWEZNQCLSA-N -1 3 320.433 3.984 20 0 DHADHM CN(C)c1cccc([C@@H]2CCCN2Cc2cc([O-])cc(F)c2)c1 ZINC000351997273 336187236 /nfs/dbraw/zinc/18/72/36/336187236.db2.gz SWQUEYZTQLJJNT-IBGZPJMESA-N -1 3 314.404 3.934 20 0 DHADHM [O-]c1cc(F)cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000352001159 336187450 /nfs/dbraw/zinc/18/74/50/336187450.db2.gz DTFFSGGHVDHWJZ-IBGZPJMESA-N -1 3 315.388 3.713 20 0 DHADHM O=c1cc(C=Cc2cnc(-c3ccco3)s2)nc(C2CC2)[n-]1 ZINC000352009131 336188210 /nfs/dbraw/zinc/18/82/10/336188210.db2.gz UWKHZLZODPXZFG-AATRIKPKSA-N -1 3 311.366 3.947 20 0 DHADHM O=c1cc(C=Cc2cnc3ccc(Cl)cn23)nc(C2CC2)[n-]1 ZINC000352020526 336189675 /nfs/dbraw/zinc/18/96/75/336189675.db2.gz JEYLVKIGSTURRF-SNAWJCMRSA-N -1 3 312.760 3.531 20 0 DHADHM CC[C@@H]1CC[C@@H](C(=O)[N-]c2onc(C3CCCCC3)c2C)O1 ZINC000333913491 336212286 /nfs/dbraw/zinc/21/22/86/336212286.db2.gz YGLAECLAAIIVAC-KGLIPLIRSA-N -1 3 306.406 3.927 20 0 DHADHM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000352337022 336213003 /nfs/dbraw/zinc/21/30/03/336213003.db2.gz CLOUIQKMBNKMLB-MRXNPFEDSA-N -1 3 319.763 3.992 20 0 DHADHM COc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1[O-] ZINC000324781685 336258203 /nfs/dbraw/zinc/25/82/03/336258203.db2.gz GVZNIGJKPUMKSY-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCN2C2CCCC2)c1[O-] ZINC000532687796 336267504 /nfs/dbraw/zinc/26/75/04/336267504.db2.gz ATIYWMFNGBBXLS-OAHLLOKOSA-N -1 3 322.836 3.700 20 0 DHADHM [O-]c1cc(CNc2cccc3c2OCO3)cc(C(F)(F)F)c1 ZINC000352833720 336270469 /nfs/dbraw/zinc/27/04/69/336270469.db2.gz HFRSNVGOZHGUQT-UHFFFAOYSA-N -1 3 311.259 3.752 20 0 DHADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000526949548 336275854 /nfs/dbraw/zinc/27/58/54/336275854.db2.gz HCXJZQAPJPMOPE-UHFFFAOYSA-N -1 3 313.397 3.762 20 0 DHADHM CCc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000183049235 336280695 /nfs/dbraw/zinc/28/06/95/336280695.db2.gz XKKCRMPBINGMKR-UHFFFAOYSA-N -1 3 311.381 3.865 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@@H](C)CC)nc2)n1 ZINC000301743345 336327008 /nfs/dbraw/zinc/32/70/08/336327008.db2.gz GAPSYIKRRAQXRI-RYUDHWBXSA-N -1 3 300.406 3.653 20 0 DHADHM CO[C@H](C)[C@H](C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000302610315 336362519 /nfs/dbraw/zinc/36/25/19/336362519.db2.gz BMDXDUISMARQGI-JGVFFNPUSA-N -1 3 316.188 3.879 20 0 DHADHM Cc1cc(F)cc2c1CN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000353038168 336386812 /nfs/dbraw/zinc/38/68/12/336386812.db2.gz YIKWJJBSDLMDQS-UHFFFAOYSA-N -1 3 319.763 3.692 20 0 DHADHM COc1ccc([O-])c(C(=O)NCc2cc3ccccc3s2)c1 ZINC000582246331 336392920 /nfs/dbraw/zinc/39/29/20/336392920.db2.gz VABCOKSMBZDVGC-UHFFFAOYSA-N -1 3 313.378 3.546 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ncoc1-c1ccc(F)cc1 ZINC000353778833 336440145 /nfs/dbraw/zinc/44/01/45/336440145.db2.gz NKQSPYMQUYRPPA-UHFFFAOYSA-N -1 3 316.263 3.578 20 0 DHADHM Cc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)ccc1[O-] ZINC000353902002 336446986 /nfs/dbraw/zinc/44/69/86/336446986.db2.gz NEAVWKBBJXMTBG-AWEZNQCLSA-N -1 3 317.385 3.807 20 0 DHADHM Cc1c(NCc2cc([O-])cc(F)c2)cccc1NC(=O)N(C)C ZINC000355290004 336502792 /nfs/dbraw/zinc/50/27/92/336502792.db2.gz YQCNJCZXWJHVOQ-UHFFFAOYSA-N -1 3 317.364 3.545 20 0 DHADHM CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000357266740 336578780 /nfs/dbraw/zinc/57/87/80/336578780.db2.gz YQWOXQFWZBOYMG-SJCJKPOMSA-N -1 3 323.396 3.786 20 0 DHADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357491882 336587605 /nfs/dbraw/zinc/58/76/05/336587605.db2.gz DQIIYIYDSGFTLW-ZBEGNZNMSA-N -1 3 319.788 3.552 20 0 DHADHM COc1cc(C(=O)N(C)Cc2cccc3ccccc32)ccc1[O-] ZINC000357598664 336591853 /nfs/dbraw/zinc/59/18/53/336591853.db2.gz UBONEUKTXBAWDS-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000358202292 336616649 /nfs/dbraw/zinc/61/66/49/336616649.db2.gz PEYONOHIKALMQK-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc([O-])cc2F)o1 ZINC000360857012 336724641 /nfs/dbraw/zinc/72/46/41/336724641.db2.gz ZVXBQDBAJMCGAG-LPTSXCQYSA-N -1 3 315.344 3.990 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(F)cc(Cl)c1 ZINC000362499531 336800706 /nfs/dbraw/zinc/80/07/06/336800706.db2.gz VQIPJUBENSIWMQ-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(Nc1ccccc1[O-])[C@H]1CCOc2ccc(Cl)cc21 ZINC000368106148 336838421 /nfs/dbraw/zinc/83/84/21/336838421.db2.gz BGTRZNXHZIKIKP-NSHDSACASA-N -1 3 303.745 3.550 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3nccn3C)c2)ccc1[O-] ZINC000368276189 336841661 /nfs/dbraw/zinc/84/16/61/336841661.db2.gz HHWYRSKIOXVILH-UHFFFAOYSA-N -1 3 321.380 3.607 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Cl)ccn1 ZINC000120159649 336900030 /nfs/dbraw/zinc/90/00/30/336900030.db2.gz HVWHLORINFRNIO-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000373439544 336960360 /nfs/dbraw/zinc/96/03/60/336960360.db2.gz ADKKQMAHJBJOPP-DZGCQCFKSA-N -1 3 316.426 3.647 20 0 DHADHM Cc1cccc(C(=O)N2CCSC[C@@H]2c2cccs2)c1[O-] ZINC000374135191 336981976 /nfs/dbraw/zinc/98/19/76/336981976.db2.gz YVNCFHYHGDTVIS-CYBMUJFWSA-N -1 3 319.451 3.692 20 0 DHADHM Cc1cccc(C(=O)N2CCSC[C@H]2c2cccs2)c1[O-] ZINC000374135193 336981981 /nfs/dbraw/zinc/98/19/81/336981981.db2.gz YVNCFHYHGDTVIS-ZDUSSCGKSA-N -1 3 319.451 3.692 20 0 DHADHM O=C([O-])c1ccccc1C1CCN(CCC(F)(F)F)CC1 ZINC000375355922 337008945 /nfs/dbraw/zinc/00/89/45/337008945.db2.gz LRLMSEZYFZGIRT-UHFFFAOYSA-N -1 3 301.308 3.517 20 0 DHADHM CCc1ncsc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000122761006 337023556 /nfs/dbraw/zinc/02/35/56/337023556.db2.gz VAOJGGXVVZUNEG-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000376649863 337039109 /nfs/dbraw/zinc/03/91/09/337039109.db2.gz ZKGKJZASNKTDDB-JTQLQIEISA-N -1 3 322.817 3.522 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N1CCC=C(c2ccco2)C1 ZINC000378132938 337066995 /nfs/dbraw/zinc/06/69/95/337066995.db2.gz QWXWXXLAHUFVLQ-UHFFFAOYSA-N -1 3 303.745 3.568 20 0 DHADHM Cn1cc([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)c2ccccc21 ZINC000378561020 337075788 /nfs/dbraw/zinc/07/57/88/337075788.db2.gz HGJAACVASWDSLC-OAHLLOKOSA-N -1 3 320.392 3.514 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc3cc(C)ccn23)CC)n1 ZINC000193617102 337078617 /nfs/dbraw/zinc/07/86/17/337078617.db2.gz KCJQBHHOIBNHIE-GXDHUFHOSA-N -1 3 322.412 3.629 20 0 DHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000175236140 337146379 /nfs/dbraw/zinc/14/63/79/337146379.db2.gz HTACTZNSTSQDKO-QMMMGPOBSA-N -1 3 312.341 3.689 20 0 DHADHM Cn1ccc2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cc21 ZINC000178120361 337162514 /nfs/dbraw/zinc/16/25/14/337162514.db2.gz MXQSDIHURRGWRL-UHFFFAOYSA-N -1 3 314.772 3.719 20 0 DHADHM Cc1sc(-c2ccco2)nc1C(=O)Nc1c(C)cccc1[O-] ZINC000179562120 337170221 /nfs/dbraw/zinc/17/02/21/337170221.db2.gz YVHOOUHEUSPGIV-UHFFFAOYSA-N -1 3 314.366 3.978 20 0 DHADHM Cc1cccc([O-])c1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000179562896 337170259 /nfs/dbraw/zinc/17/02/59/337170259.db2.gz CDAIQCFTSNYUJK-UHFFFAOYSA-N -1 3 314.366 3.598 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc([O-])cc2F)s1 ZINC000180466722 337174906 /nfs/dbraw/zinc/17/49/06/337174906.db2.gz PVSNARZUWPRTSR-UHFFFAOYSA-N -1 3 307.346 3.503 20 0 DHADHM CC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1OC(F)F ZINC000181957613 337185565 /nfs/dbraw/zinc/18/55/65/337185565.db2.gz XYCYXFNPKZZFJI-AWEZNQCLSA-N -1 3 321.323 3.875 20 0 DHADHM O=C(c1cccc([O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000181958204 337185641 /nfs/dbraw/zinc/18/56/41/337185641.db2.gz OAZDXICDVXFBNJ-AWEZNQCLSA-N -1 3 322.364 3.553 20 0 DHADHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000182476897 337188654 /nfs/dbraw/zinc/18/86/54/337188654.db2.gz BEFXTIPXNLHBLK-LBPRGKRZSA-N -1 3 303.789 3.749 20 0 DHADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000182542737 337188937 /nfs/dbraw/zinc/18/89/37/337188937.db2.gz WQFWYIXXHJBHEG-AWEZNQCLSA-N -1 3 318.376 3.945 20 0 DHADHM O=C(c1cnc2ccc(F)cc2c1)N1CCCc2cccc([O-])c21 ZINC000182949877 337190823 /nfs/dbraw/zinc/19/08/23/337190823.db2.gz XXUXPVGLDJZJGP-UHFFFAOYSA-N -1 3 322.339 3.673 20 0 DHADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cccc([O-])c1 ZINC000182992123 337190960 /nfs/dbraw/zinc/19/09/60/337190960.db2.gz KZIBXTUDUALHRW-HNNXBMFYSA-N -1 3 317.772 3.689 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000183077943 337191359 /nfs/dbraw/zinc/19/13/59/337191359.db2.gz QBCGFWDJCUNWTA-GFCCVEGCSA-N -1 3 317.772 3.544 20 0 DHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc([O-])cc1F ZINC000183275406 337192776 /nfs/dbraw/zinc/19/27/76/337192776.db2.gz XNFDEOLLQYFXIB-UHFFFAOYSA-N -1 3 318.735 3.847 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)s1 ZINC000183698161 337192980 /nfs/dbraw/zinc/19/29/80/337192980.db2.gz UPBDKEKHJGVUEQ-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)s1 ZINC000183698161 337192981 /nfs/dbraw/zinc/19/29/81/337192981.db2.gz UPBDKEKHJGVUEQ-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)s1 ZINC000183698161 337192982 /nfs/dbraw/zinc/19/29/82/337192982.db2.gz UPBDKEKHJGVUEQ-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM O=S(=O)(Cc1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000184001471 337194402 /nfs/dbraw/zinc/19/44/02/337194402.db2.gz RBJGHIUUGUVOMH-UHFFFAOYSA-N -1 3 317.193 3.673 20 0 DHADHM CCOc1cc(CN[C@@H](CC)C(F)(F)F)cc(Cl)c1[O-] ZINC000459495012 337201602 /nfs/dbraw/zinc/20/16/02/337201602.db2.gz LABXHSAXFMKFBA-NSHDSACASA-N -1 3 311.731 3.875 20 0 DHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[C@H]2C1 ZINC000582851282 337210422 /nfs/dbraw/zinc/21/04/22/337210422.db2.gz MAQGKJCLMSAGHN-BHDSKKPTSA-N -1 3 314.212 3.851 20 0 DHADHM Cc1cc2occ(C(=O)NCc3ccc([O-])c(F)c3)c2cc1C ZINC000186178091 337254235 /nfs/dbraw/zinc/25/42/35/337254235.db2.gz XDFYEDMYTWADLI-UHFFFAOYSA-N -1 3 313.328 3.824 20 0 DHADHM O=C([N-]c1ncccc1Cl)c1ncoc1-c1ccc(F)cc1 ZINC000186672425 337258353 /nfs/dbraw/zinc/25/83/53/337258353.db2.gz OZZAUQFVMPNRJJ-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1C(=O)[O-] ZINC000228829574 337258520 /nfs/dbraw/zinc/25/85/20/337258520.db2.gz GLFDBMNVUYQHCD-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000187466665 337266199 /nfs/dbraw/zinc/26/61/99/337266199.db2.gz YZWULTCBPVWYQO-GFCCVEGCSA-N -1 3 317.335 3.609 20 0 DHADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccoc1Cl ZINC000192288791 337304246 /nfs/dbraw/zinc/30/42/46/337304246.db2.gz YYBBAPSYSPKGGR-UHFFFAOYSA-N -1 3 311.775 3.765 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3=CCCCC3)c2)n1 ZINC000106743295 337387236 /nfs/dbraw/zinc/38/72/36/337387236.db2.gz WCWXFLQHRBNIBZ-UHFFFAOYSA-N -1 3 323.396 3.574 20 0 DHADHM CC(C)c1csc(NC(=O)c2cc(-c3ccco3)[n-]n2)n1 ZINC000030565760 337390140 /nfs/dbraw/zinc/39/01/40/337390140.db2.gz SYEQFLATFGLYNZ-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1csc(NC(=O)c2cc(-c3ccco3)n[n-]2)n1 ZINC000030565760 337390141 /nfs/dbraw/zinc/39/01/41/337390141.db2.gz SYEQFLATFGLYNZ-UHFFFAOYSA-N -1 3 302.359 3.502 20 0 DHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000520768027 337390583 /nfs/dbraw/zinc/39/05/83/337390583.db2.gz QJRCCQLUHMWCAN-UHFFFAOYSA-N -1 3 311.353 3.889 20 0 DHADHM CC(C)OCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419400250 337482208 /nfs/dbraw/zinc/48/22/08/337482208.db2.gz KMAJBPAWQCKCJQ-UHFFFAOYSA-N -1 3 304.415 3.507 20 0 DHADHM CCOc1cc(-c2noc([C@H](CC)CC(F)F)n2)ccc1[O-] ZINC000420490548 337503070 /nfs/dbraw/zinc/50/30/70/337503070.db2.gz CWAOHHQOTWCHFO-SECBINFHSA-N -1 3 312.316 3.990 20 0 DHADHM COCCC1(c2noc(-c3ccc(C)c(C)c3[O-])n2)CCC1 ZINC000420513009 337506240 /nfs/dbraw/zinc/50/62/40/337506240.db2.gz HGBXFARQEYFTIS-UHFFFAOYSA-N -1 3 302.374 3.517 20 0 DHADHM [O-]c1ccccc1-c1nc(CSC2=Nc3ccccc3C2)no1 ZINC000077493248 337581562 /nfs/dbraw/zinc/58/15/62/337581562.db2.gz OPWAJNVBGJLFFH-UHFFFAOYSA-N -1 3 323.377 3.962 20 0 DHADHM O=C([O-])CC[C@@H](Cc1ccccc1)NCc1cc(F)ccc1F ZINC000262682444 337620468 /nfs/dbraw/zinc/62/04/68/337620468.db2.gz BSDKBJUFXRSNND-INIZCTEOSA-N -1 3 319.351 3.531 20 0 DHADHM COc1ccc([C@@H](NCc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000263507543 337630848 /nfs/dbraw/zinc/63/08/48/337630848.db2.gz XOIQSXBBHRITIE-SFHVURJKSA-N -1 3 313.397 3.880 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421971406 337664115 /nfs/dbraw/zinc/66/41/15/337664115.db2.gz ULIWZMDDIXVCQN-LLVKDONJSA-N -1 3 301.308 3.505 20 0 DHADHM CCOc1cc(-c2noc(/C=C\c3cncc(C)c3)n2)ccc1[O-] ZINC000445426258 337726760 /nfs/dbraw/zinc/72/67/60/337726760.db2.gz IRSQUPMTYZSJRX-DAXSKMNVSA-N -1 3 323.352 3.715 20 0 DHADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000527179972 337735625 /nfs/dbraw/zinc/73/56/25/337735625.db2.gz FCXQFLAYLKSPAN-GASCZTMLSA-N -1 3 309.409 3.800 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc([C@@H]2CCCO2)s1 ZINC000089773832 337873615 /nfs/dbraw/zinc/87/36/15/337873615.db2.gz RLHMOIHGVMEJFU-NSHDSACASA-N -1 3 324.789 3.606 20 0 DHADHM CCOc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000121508137 337894275 /nfs/dbraw/zinc/89/42/75/337894275.db2.gz PHUJODGSPQSKEN-UHFFFAOYSA-N -1 3 319.788 3.934 20 0 DHADHM CCCc1csc(NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000092261707 337902138 /nfs/dbraw/zinc/90/21/38/337902138.db2.gz CAYPSHCDAKEUOA-UHFFFAOYSA-N -1 3 310.806 3.636 20 0 DHADHM Cc1cc(F)ccc1-c1ccc(CNC(C)(C)CC(=O)[O-])o1 ZINC000515178099 337981657 /nfs/dbraw/zinc/98/16/57/337981657.db2.gz GGQOCMBDIBYMLI-UHFFFAOYSA-N -1 3 305.349 3.737 20 0 DHADHM C(=C\c1ccccc1)\CCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000516130696 338004825 /nfs/dbraw/zinc/00/48/25/338004825.db2.gz SFUKOZAFJWOQAH-YWEYNIOJSA-N -1 3 317.352 3.654 20 0 DHADHM COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc(C)ccc1[O-] ZINC000426499751 338033680 /nfs/dbraw/zinc/03/36/80/338033680.db2.gz YPQVIAMJCHTZPT-INIZCTEOSA-N -1 3 320.820 3.569 20 0 DHADHM CC(C)(CCCNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426650075 338036979 /nfs/dbraw/zinc/03/69/79/338036979.db2.gz ZOUFWMNBAOZYGG-UHFFFAOYSA-N -1 3 304.217 3.974 20 0 DHADHM C[C@@H]1CCc2nc(CNCCC(C)(C)CCC(=O)[O-])sc2C1 ZINC000426666198 338037503 /nfs/dbraw/zinc/03/75/03/338037503.db2.gz OWCVDVPPSRJKEQ-GFCCVEGCSA-N -1 3 324.490 3.639 20 0 DHADHM O=C([O-])[C@H](CCCNCc1ccccc1F)Cc1ccccc1 ZINC000426674775 338037659 /nfs/dbraw/zinc/03/76/59/338037659.db2.gz MOVHGIXGPRDING-MRXNPFEDSA-N -1 3 315.388 3.639 20 0 DHADHM Cc1ccc2[nH]c(CNCc3ccccc3CC(=O)[O-])cc2c1C ZINC000426678981 338037990 /nfs/dbraw/zinc/03/79/90/338037990.db2.gz SXDNXOCKHBGBFI-UHFFFAOYSA-N -1 3 322.408 3.702 20 0 DHADHM O=C([O-])C[C@H](NCc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000426698206 338038365 /nfs/dbraw/zinc/03/83/65/338038365.db2.gz YZMCQGWXOWEBNV-ZDUSSCGKSA-N -1 3 313.781 3.846 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000426694737 338038398 /nfs/dbraw/zinc/03/83/98/338038398.db2.gz KGKSUGGPEQRIGN-UHFFFAOYSA-N -1 3 323.339 3.959 20 0 DHADHM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000426733496 338039912 /nfs/dbraw/zinc/03/99/12/338039912.db2.gz XYXUILZJEFGNFJ-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426737617 338039932 /nfs/dbraw/zinc/03/99/32/338039932.db2.gz OSJNEKNGADMITJ-INIZCTEOSA-N -1 3 319.788 3.654 20 0 DHADHM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000426735900 338039937 /nfs/dbraw/zinc/03/99/37/338039937.db2.gz VMHVZMCKINGHCD-WFASDCNBSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cccc3[nH]ccc32)C(=O)[O-])c1 ZINC000426742857 338040178 /nfs/dbraw/zinc/04/01/78/338040178.db2.gz LTGUYLZFDAPPKI-GOSISDBHSA-N -1 3 308.381 3.700 20 0 DHADHM CC1([C@@H](NCc2ccc(F)cc2Cl)C(=O)[O-])CCCCC1 ZINC000426747254 338040551 /nfs/dbraw/zinc/04/05/51/338040551.db2.gz NYGOMBOIYUZYMS-AWEZNQCLSA-N -1 3 313.800 3.992 20 0 DHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000426751867 338040847 /nfs/dbraw/zinc/04/08/47/338040847.db2.gz YQDJTILQHAEUTM-SFHVURJKSA-N -1 3 313.397 3.618 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000426758132 338041019 /nfs/dbraw/zinc/04/10/19/338041019.db2.gz GYGUZRVUQPHTPI-MLGOLLRUSA-N -1 3 303.789 3.892 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000426759331 338041202 /nfs/dbraw/zinc/04/12/02/338041202.db2.gz MJCRLZIQCZLYLI-BLLLJJGKSA-N -1 3 303.789 3.892 20 0 DHADHM CC(C)c1cc(C(=O)NCC2(CCO)CC2)c([O-])c(C(C)C)c1 ZINC000428819572 338061443 /nfs/dbraw/zinc/06/14/43/338061443.db2.gz HZOQHSSKMWPZTR-UHFFFAOYSA-N -1 3 319.445 3.531 20 0 DHADHM CC(C)(C)Cc1csc([N-]C(=O)c2ncc(F)cc2F)n1 ZINC000429084435 338070656 /nfs/dbraw/zinc/07/06/56/338070656.db2.gz NQTBSSNXXSWJDL-UHFFFAOYSA-N -1 3 311.357 3.657 20 0 DHADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1c(Cl)ccc2ccccc21 ZINC000430010023 338093381 /nfs/dbraw/zinc/09/33/81/338093381.db2.gz CTPJYVSJGDXNRY-DZGCQCFKSA-N -1 3 321.829 3.570 20 0 DHADHM Cc1ccoc1CN(C)Cc1cc([O-])ccc1Br ZINC000430141362 338098956 /nfs/dbraw/zinc/09/89/56/338098956.db2.gz XGIRFURHTHYDBO-UHFFFAOYSA-N -1 3 310.191 3.688 20 0 DHADHM O=C(N[C@@H](c1cccs1)C1CC1)c1cc([O-])ccc1Cl ZINC000431726426 338137643 /nfs/dbraw/zinc/13/76/43/338137643.db2.gz QDZUNZKELYBSTE-CQSZACIVSA-N -1 3 307.802 3.988 20 0 DHADHM O=C(N[C@H](c1cccs1)C1CC1)c1cc([O-])ccc1Cl ZINC000431726425 338137661 /nfs/dbraw/zinc/13/76/61/338137661.db2.gz QDZUNZKELYBSTE-AWEZNQCLSA-N -1 3 307.802 3.988 20 0 DHADHM Cc1ncsc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432704905 338163538 /nfs/dbraw/zinc/16/35/38/338163538.db2.gz POGKXWGXNBKERU-GXDHUFHOSA-N -1 3 309.394 3.730 20 0 DHADHM Cc1ccc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000433116641 338182240 /nfs/dbraw/zinc/18/22/40/338182240.db2.gz MPBGSARRDIUDSB-UHFFFAOYSA-N -1 3 324.355 3.845 20 0 DHADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccccc1 ZINC000433224740 338186511 /nfs/dbraw/zinc/18/65/11/338186511.db2.gz COBWHUWRMWKHLI-UHFFFAOYSA-N -1 3 324.355 3.642 20 0 DHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cc(Cl)ccc2F)c1 ZINC000433988100 338206162 /nfs/dbraw/zinc/20/61/62/338206162.db2.gz NAPMOPRFAZDHRQ-UHFFFAOYSA-N -1 3 307.752 3.765 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(F)c2)CC)n1 ZINC000435339677 338237442 /nfs/dbraw/zinc/23/74/42/338237442.db2.gz WZTWPRFTUWZKDJ-WUXMJOGZSA-N -1 3 304.340 3.951 20 0 DHADHM COCc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435954768 338254198 /nfs/dbraw/zinc/25/41/98/338254198.db2.gz DBCXXOTVPVZMHI-JXMROGBWSA-N -1 3 308.337 3.759 20 0 DHADHM COCc1cccc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435957504 338254318 /nfs/dbraw/zinc/25/43/18/338254318.db2.gz LKRWLODIHLGTJW-CMDGGOBGSA-N -1 3 308.337 3.759 20 0 DHADHM COc1cc(-c2noc(-c3occc3C(C)C)n2)ccc1[O-] ZINC000436518123 338274826 /nfs/dbraw/zinc/27/48/26/338274826.db2.gz XBKAEZBLXDGTTP-UHFFFAOYSA-N -1 3 300.314 3.834 20 0 DHADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000436515598 338274858 /nfs/dbraw/zinc/27/48/58/338274858.db2.gz SJZMECRTQMNMKH-SFHVURJKSA-N -1 3 317.335 3.551 20 0 DHADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])C1CCCCC1 ZINC000436533806 338275538 /nfs/dbraw/zinc/27/55/38/338275538.db2.gz NPTYFDZRVXELCG-UHFFFAOYSA-N -1 3 305.418 3.976 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1C ZINC000436543853 338276401 /nfs/dbraw/zinc/27/64/01/338276401.db2.gz JQOYFUZNJHWPQX-YPMHNXCESA-N -1 3 315.335 3.812 20 0 DHADHM CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])cs1 ZINC000436549615 338276764 /nfs/dbraw/zinc/27/67/64/338276764.db2.gz GTYHLEQZOJTDCW-LLVKDONJSA-N -1 3 304.415 3.519 20 0 DHADHM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436553906 338276934 /nfs/dbraw/zinc/27/69/34/338276934.db2.gz IKDOCGCFJUQEKT-MRXNPFEDSA-N -1 3 319.445 3.937 20 0 DHADHM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436559444 338277039 /nfs/dbraw/zinc/27/70/39/338277039.db2.gz WAYHANCPJOYBQU-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C/c3ccc(F)c(F)c3)n2)cc1 ZINC000436561834 338277049 /nfs/dbraw/zinc/27/70/49/338277049.db2.gz CXGFKFXIHAAOCT-KRXBUXKQSA-N -1 3 300.264 3.891 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436565369 338277196 /nfs/dbraw/zinc/27/71/96/338277196.db2.gz QTTGISDTJGRPQH-ZYHUDNBSSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436565365 338277291 /nfs/dbraw/zinc/27/72/91/338277291.db2.gz QTTGISDTJGRPQH-JQWIXIFHSA-N -1 3 301.308 3.504 20 0 DHADHM CC1(C)CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436572259 338277749 /nfs/dbraw/zinc/27/77/49/338277749.db2.gz YTDRUIBVHGLJOE-UHFFFAOYSA-N -1 3 309.409 3.998 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000436584375 338278615 /nfs/dbraw/zinc/27/86/15/338278615.db2.gz LYBPTAJUTIOJAI-QZTJIDSGSA-N -1 3 321.420 3.855 20 0 DHADHM CC(C)C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC000436588567 338278679 /nfs/dbraw/zinc/27/86/79/338278679.db2.gz NOJVZVXNCSRNSF-ZDUSSCGKSA-N -1 3 305.399 3.677 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@H]2CCC(C)C)c([O-])c1 ZINC000436589653 338278817 /nfs/dbraw/zinc/27/88/17/338278817.db2.gz XAENMLNWIDXKMZ-AWEZNQCLSA-N -1 3 305.418 3.832 20 0 DHADHM Cc1csc([C@H](NC(=O)c2ccc(C)c(C)c2[O-])C2CC2)n1 ZINC000436592092 338278891 /nfs/dbraw/zinc/27/88/91/338278891.db2.gz SIYWYHCVRZHUBY-CQSZACIVSA-N -1 3 316.426 3.655 20 0 DHADHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1C ZINC000436595699 338279108 /nfs/dbraw/zinc/27/91/08/338279108.db2.gz NKHBGIINUPMRPA-HNNXBMFYSA-N -1 3 317.429 3.621 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)cc2[O-])c1C1CC1 ZINC000436600324 338279237 /nfs/dbraw/zinc/27/92/37/338279237.db2.gz GPDVWDLLNOSOCA-GFCCVEGCSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c1[O-] ZINC000436600722 338279273 /nfs/dbraw/zinc/27/92/73/338279273.db2.gz BAJNYIYZKTXPBS-IBGZPJMESA-N -1 3 313.372 3.644 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2cc(C)ccc2[O-])c1C1CC1 ZINC000436604106 338279421 /nfs/dbraw/zinc/27/94/21/338279421.db2.gz NXFSCEAACGOHKA-LBPRGKRZSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000436603077 338279522 /nfs/dbraw/zinc/27/95/22/338279522.db2.gz LCPHKOYUEPUOMK-KRWDZBQOSA-N -1 3 309.409 3.966 20 0 DHADHM CCc1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)co1 ZINC000436605361 338279574 /nfs/dbraw/zinc/27/95/74/338279574.db2.gz CCDFLFPPLWNCAV-UHFFFAOYSA-N -1 3 307.309 3.813 20 0 DHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCCC1 ZINC000436612534 338279889 /nfs/dbraw/zinc/27/98/89/338279889.db2.gz QOFQVFVPSHHANT-UHFFFAOYSA-N -1 3 309.409 3.804 20 0 DHADHM COc1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000436626052 338280440 /nfs/dbraw/zinc/28/04/40/338280440.db2.gz GVZIBBHRNFCZQQ-QGZVFWFLSA-N -1 3 313.397 3.570 20 0 DHADHM Cc1ccc(C(=O)NCc2nc3ccccc3s2)c([O-])c1C ZINC000436624992 338280453 /nfs/dbraw/zinc/28/04/53/338280453.db2.gz NKDPKORPLDVOGS-UHFFFAOYSA-N -1 3 312.394 3.549 20 0 DHADHM CC(C)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)cc1F ZINC000436628997 338280675 /nfs/dbraw/zinc/28/06/75/338280675.db2.gz HYBVZNBJAYGZPX-MRXNPFEDSA-N -1 3 321.323 3.503 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436633823 338280769 /nfs/dbraw/zinc/28/07/69/338280769.db2.gz MNAIIXBQDRWFGN-HNNXBMFYSA-N -1 3 309.409 3.659 20 0 DHADHM COc1cc(-c2nc3cc(F)ccc3s2)cc(OC)c1[O-] ZINC000436653304 338281669 /nfs/dbraw/zinc/28/16/69/338281669.db2.gz BFSNOJVNYVNQOU-UHFFFAOYSA-N -1 3 305.330 3.825 20 0 DHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC000436658373 338281839 /nfs/dbraw/zinc/28/18/39/338281839.db2.gz LDSQYTFEAOPVPH-GFCCVEGCSA-N -1 3 307.349 3.742 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000436674990 338282309 /nfs/dbraw/zinc/28/23/09/338282309.db2.gz STHWMYJEAJITJT-UHFFFAOYSA-N -1 3 315.438 3.913 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1 ZINC000436682124 338282721 /nfs/dbraw/zinc/28/27/21/338282721.db2.gz PGJVNPQPIMHSNT-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM COc1cc(-c2nc([C@@H](C)C(C)(C)C)no2)cc(OC)c1[O-] ZINC000436686992 338282746 /nfs/dbraw/zinc/28/27/46/338282746.db2.gz GWFNJIDQIJXRFQ-SECBINFHSA-N -1 3 306.362 3.609 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1[O-] ZINC000436685920 338282789 /nfs/dbraw/zinc/28/27/89/338282789.db2.gz COVAPKJHXILVSI-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM CCCc1nc(C)c(CNC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC000436685572 338282901 /nfs/dbraw/zinc/28/29/01/338282901.db2.gz CPDBIRNJXJHLEL-UHFFFAOYSA-N -1 3 316.401 3.695 20 0 DHADHM CC1=CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000436691408 338283023 /nfs/dbraw/zinc/28/30/23/338283023.db2.gz XWVFPOQJMQRMPY-UHFFFAOYSA-N -1 3 323.392 3.763 20 0 DHADHM COc1cccc(C(=O)Nc2ccc(C)c(OC(C)C)c2)c1[O-] ZINC000436714621 338283635 /nfs/dbraw/zinc/28/36/35/338283635.db2.gz IVEUSEKXOSLOCT-UHFFFAOYSA-N -1 3 315.369 3.749 20 0 DHADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)c1c(F)cccc1F ZINC000436729396 338284451 /nfs/dbraw/zinc/28/44/51/338284451.db2.gz AFSIXXIVMGKSSN-SECBINFHSA-N -1 3 302.280 3.872 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)c([O-])c1 ZINC000436746371 338285180 /nfs/dbraw/zinc/28/51/80/338285180.db2.gz FIZJOVPDARVXRR-CYBMUJFWSA-N -1 3 301.308 3.586 20 0 DHADHM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H]1CCC[C@@H]1C ZINC000436743985 338285244 /nfs/dbraw/zinc/28/52/44/338285244.db2.gz IMDFCCGPOWTREC-WMLDXEAASA-N -1 3 319.445 3.793 20 0 DHADHM COCCCn1nccc1/C=C/c1ccc2cc(C)cc([O-])c2n1 ZINC000436749152 338285343 /nfs/dbraw/zinc/28/53/43/338285343.db2.gz IOSVTYMSYCORGD-VOTSOKGWSA-N -1 3 323.396 3.652 20 0 DHADHM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c([O-])c1C ZINC000436757582 338285842 /nfs/dbraw/zinc/28/58/42/338285842.db2.gz JCQDADKZOLXPMF-UHFFFAOYSA-N -1 3 313.372 3.953 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(OC)ccc1[O-] ZINC000436758291 338286045 /nfs/dbraw/zinc/28/60/45/338286045.db2.gz WWMFCEHEBCKMDY-UHFFFAOYSA-N -1 3 317.360 3.592 20 0 DHADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436760687 338286194 /nfs/dbraw/zinc/28/61/94/338286194.db2.gz RQONHBAHKPSIPS-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436763503 338286388 /nfs/dbraw/zinc/28/63/88/338286388.db2.gz HCGKEYUMQRSOBH-AAEUAGOBSA-N -1 3 303.402 3.509 20 0 DHADHM COc1ccc(O[C@@H](C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436765416 338286445 /nfs/dbraw/zinc/28/64/45/338286445.db2.gz ATAXHNTUOWRBOR-NSHDSACASA-N -1 3 312.325 3.591 20 0 DHADHM COc1cccc([C@@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436768855 338286511 /nfs/dbraw/zinc/28/65/11/338286511.db2.gz KVDNOLWOUAJCKI-HOTGVXAUSA-N -1 3 308.337 3.722 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cc(C4CCCCC4)[nH]n3)n2)cc1 ZINC000436776437 338287003 /nfs/dbraw/zinc/28/70/03/338287003.db2.gz IURWBAQFMKGXOR-UHFFFAOYSA-N -1 3 310.357 3.880 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)c([O-])c1 ZINC000436802983 338288009 /nfs/dbraw/zinc/28/80/09/338288009.db2.gz LMTVUKAQCNDZSI-UHFFFAOYSA-N -1 3 309.818 3.942 20 0 DHADHM CCCC[C@@H](CCC)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436813425 338288247 /nfs/dbraw/zinc/28/82/47/338288247.db2.gz OVARBHMURYMRHW-CYBMUJFWSA-N -1 3 323.433 3.746 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000436813855 338288258 /nfs/dbraw/zinc/28/82/58/338288258.db2.gz GJXVDCCEAYGTHO-GOSISDBHSA-N -1 3 311.425 3.676 20 0 DHADHM CCc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000436813545 338288344 /nfs/dbraw/zinc/28/83/44/338288344.db2.gz IABZIKYSAQUTDN-JTQLQIEISA-N -1 3 303.324 3.806 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)c([O-])c1 ZINC000436818951 338288370 /nfs/dbraw/zinc/28/83/70/338288370.db2.gz GTRKGWKNCZRKMZ-INIZCTEOSA-N -1 3 309.409 3.893 20 0 DHADHM CCOc1ccccc1CN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000436820845 338288697 /nfs/dbraw/zinc/28/86/97/338288697.db2.gz SVSZEABBBJPWNV-UHFFFAOYSA-N -1 3 313.397 3.626 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)c([O-])c1 ZINC000436829095 338288914 /nfs/dbraw/zinc/28/89/14/338288914.db2.gz AFVBDFZQUOPARG-UHFFFAOYSA-N -1 3 319.364 3.664 20 0 DHADHM CC[C@@]1(O)CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000436838037 338289372 /nfs/dbraw/zinc/28/93/72/338289372.db2.gz LWUDXORLPDJKJO-LJQANCHMSA-N -1 3 319.445 3.626 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)CCc2ccccc2O)c([O-])c1 ZINC000436836592 338289405 /nfs/dbraw/zinc/28/94/05/338289405.db2.gz ZWJBNWJNIZBLTK-UHFFFAOYSA-N -1 3 313.397 3.536 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000436840139 338289455 /nfs/dbraw/zinc/28/94/55/338289455.db2.gz WDZDHEAKWCELJL-PKOBYXMFSA-N -1 3 321.420 3.998 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1[C@@H](C)C1CC1 ZINC000436854215 338289962 /nfs/dbraw/zinc/28/99/62/338289962.db2.gz GDKAEOFSRDMVPB-JTQLQIEISA-N -1 3 319.792 3.774 20 0 DHADHM O=C(c1c([O-])cccc1O)N1CCCC2(CCCCC2)CC1 ZINC000436856978 338290153 /nfs/dbraw/zinc/29/01/53/338290153.db2.gz BMSQCXFJBNLQHH-UHFFFAOYSA-N -1 3 303.402 3.674 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1[O-] ZINC000436858488 338290283 /nfs/dbraw/zinc/29/02/83/338290283.db2.gz FVFYHFZAJTYTBC-AWEZNQCLSA-N -1 3 315.394 3.634 20 0 DHADHM CCOc1cc(-c2noc(Cc3ccccc3CC)n2)ccc1[O-] ZINC000436868657 338290663 /nfs/dbraw/zinc/29/06/63/338290663.db2.gz BFLGWNXYHGKPBC-UHFFFAOYSA-N -1 3 324.380 3.994 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c([O-])c1 ZINC000436875677 338291170 /nfs/dbraw/zinc/29/11/70/338291170.db2.gz VZSGNZGJLHNZRA-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(O)cc3)no1)CCCC2 ZINC000436884399 338291671 /nfs/dbraw/zinc/29/16/71/338291671.db2.gz BWPBCZOFZOTFFE-UHFFFAOYSA-N -1 3 308.337 3.694 20 0 DHADHM COc1ccc2nc(-c3noc(-c4ccccc4[O-])n3)ccc2c1 ZINC000436885698 338291774 /nfs/dbraw/zinc/29/17/74/338291774.db2.gz ITBRSLLDPIDWPP-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cc(=O)[nH]c4ccccc43)no2)c1 ZINC000436887639 338291911 /nfs/dbraw/zinc/29/19/11/338291911.db2.gz XMQMDWQCIRSQKO-UHFFFAOYSA-N -1 3 319.320 3.671 20 0 DHADHM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436889376 338291933 /nfs/dbraw/zinc/29/19/33/338291933.db2.gz WLZCDPTXPDNEMA-UHFFFAOYSA-N -1 3 317.348 3.982 20 0 DHADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436889898 338291954 /nfs/dbraw/zinc/29/19/54/338291954.db2.gz BLUYVQIWHCOYOX-BDJLRTHQSA-N -1 3 319.788 3.552 20 0 DHADHM COc1cc(Cc2noc(-c3ccc(C)cc3[O-])n2)ccc1C ZINC000436896800 338292609 /nfs/dbraw/zinc/29/26/09/338292609.db2.gz NXFNFACMGKIZCR-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM Cc1cc(CN(C)C)cc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436907347 338293000 /nfs/dbraw/zinc/29/30/00/338293000.db2.gz YCYQLVMBXVDNAC-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM COc1cccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1[O-] ZINC000436909957 338293014 /nfs/dbraw/zinc/29/30/14/338293014.db2.gz MNQPQVHWTDXATH-UHFFFAOYSA-N -1 3 307.309 3.599 20 0 DHADHM CC(C)c1ccc(-c2nc(-c3ccc(N(C)C)nc3)no2)c([O-])c1 ZINC000436918739 338293384 /nfs/dbraw/zinc/29/33/84/338293384.db2.gz JVLAVFIAMRXOBM-UHFFFAOYSA-N -1 3 324.384 3.694 20 0 DHADHM COc1ncccc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436918189 338293484 /nfs/dbraw/zinc/29/34/84/338293484.db2.gz GXKLOQXJVOWPGZ-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM CCN(CC)c1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cn1 ZINC000436931722 338294247 /nfs/dbraw/zinc/29/42/47/338294247.db2.gz KGLZCNHJHPLDNM-UHFFFAOYSA-N -1 3 324.384 3.659 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4nccnc4c3)no2)c([O-])c1C ZINC000436932678 338294255 /nfs/dbraw/zinc/29/42/55/338294255.db2.gz QGVDXWJAHUYICW-UHFFFAOYSA-N -1 3 318.336 3.669 20 0 DHADHM [O-]c1ccc(-c2noc(CCc3ccnc4ccccc34)n2)cc1 ZINC000436935678 338294370 /nfs/dbraw/zinc/29/43/70/338294370.db2.gz LEAGCMRLXUPTSR-UHFFFAOYSA-N -1 3 317.348 3.776 20 0 DHADHM Cc1sc(CNC(=O)c2ccc([O-])c(C)c2)nc1C(C)C ZINC000436935883 338294443 /nfs/dbraw/zinc/29/44/43/338294443.db2.gz DMXYUMCYMUXBBA-UHFFFAOYSA-N -1 3 304.415 3.519 20 0 DHADHM Cc1cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)ccc1[O-] ZINC000436939145 338294574 /nfs/dbraw/zinc/29/45/74/338294574.db2.gz NVFWPSRMKXSMNH-LBPRGKRZSA-N -1 3 319.788 3.551 20 0 DHADHM CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000448583131 338294782 /nfs/dbraw/zinc/29/47/82/338294782.db2.gz QXTFJSPFYGWBIR-MRXNPFEDSA-N -1 3 301.361 3.650 20 0 DHADHM Cc1cc(C)nc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000436942038 338294988 /nfs/dbraw/zinc/29/49/88/338294988.db2.gz TUTBKLIJAFNESN-UHFFFAOYSA-N -1 3 321.380 4.000 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3ccn(C(F)F)n3)ccc12 ZINC000436941325 338295019 /nfs/dbraw/zinc/29/50/19/338295019.db2.gz CWDIGMCINKYYEM-NSCUHMNNSA-N -1 3 317.295 3.711 20 0 DHADHM Cc1cccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1[O-] ZINC000436947730 338295290 /nfs/dbraw/zinc/29/52/90/338295290.db2.gz RXTXCTQESYCGMK-RISCZKNCSA-N -1 3 319.763 3.779 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)c([O-])c1 ZINC000436953013 338295570 /nfs/dbraw/zinc/29/55/70/338295570.db2.gz LGRQTHCBIBJOGT-CQSZACIVSA-N -1 3 317.429 3.976 20 0 DHADHM Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c1[O-] ZINC000436957270 338295971 /nfs/dbraw/zinc/29/59/71/338295971.db2.gz TUJAPEKXMSBIJS-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM C[C@]1(F)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436965138 338296026 /nfs/dbraw/zinc/29/60/26/338296026.db2.gz NCXNTQWMJQOVSU-SFHVURJKSA-N -1 3 315.344 3.759 20 0 DHADHM CCCN(C(=O)c1ccccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000436972049 338296194 /nfs/dbraw/zinc/29/61/94/338296194.db2.gz MNPDSBLSRZBLAY-MRXNPFEDSA-N -1 3 310.397 3.717 20 0 DHADHM CCCCOc1ccc(C(=O)N2CCS[C@@H](CC)C2)c([O-])c1 ZINC000436983187 338296598 /nfs/dbraw/zinc/29/65/98/338296598.db2.gz CLGUDGSNTVUPPQ-AWEZNQCLSA-N -1 3 323.458 3.539 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccccc2SC)c([O-])c1 ZINC000436993175 338297078 /nfs/dbraw/zinc/29/70/78/338297078.db2.gz ZDIZVXHVHIOLRY-UHFFFAOYSA-N -1 3 315.438 3.949 20 0 DHADHM Cc1ccc([O-])c(-c2nc(CSCc3ccco3)no2)c1 ZINC000436999768 338297303 /nfs/dbraw/zinc/29/73/03/338297303.db2.gz NPOMFSCEYSTBSX-UHFFFAOYSA-N -1 3 302.355 3.777 20 0 DHADHM COc1ccc(Cl)cc1Cc1noc(-c2ccccc2[O-])n1 ZINC000437007101 338297473 /nfs/dbraw/zinc/29/74/73/338297473.db2.gz ZCLJHFIFXDZBLQ-UHFFFAOYSA-N -1 3 316.744 3.695 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1[O-] ZINC000156022776 338328061 /nfs/dbraw/zinc/32/80/61/338328061.db2.gz WUSPKRGMHKZVTP-ZDUSSCGKSA-N -1 3 322.364 3.847 20 0 DHADHM COCc1ccc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)o1 ZINC000438835152 338353292 /nfs/dbraw/zinc/35/32/92/338353292.db2.gz KOBYTVJWGMQFMO-AWEZNQCLSA-N -1 3 323.339 3.747 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000448613629 338361001 /nfs/dbraw/zinc/36/10/01/338361001.db2.gz OBHJBUZYVKAEEO-QLFBSQMISA-N -1 3 305.393 3.549 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1[O-] ZINC000572485959 338382713 /nfs/dbraw/zinc/38/27/13/338382713.db2.gz HXVLQNJJFXJMQG-CABCVRRESA-N -1 3 301.386 3.750 20 0 DHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CC1 ZINC000440389695 338386635 /nfs/dbraw/zinc/38/66/35/338386635.db2.gz ZBHUVERCJQVNBU-SNVBAGLBSA-N -1 3 309.818 3.570 20 0 DHADHM O=C([N-]c1nc(-c2cccs2)cs1)c1cc(C2CC2)no1 ZINC000440436694 338387365 /nfs/dbraw/zinc/38/73/65/338387365.db2.gz BEHUAGYTAJXBTG-UHFFFAOYSA-N -1 3 317.395 3.989 20 0 DHADHM O=C([N-]c1scnc1-c1ccccc1)c1cc(C2CC2)no1 ZINC000440730191 338396169 /nfs/dbraw/zinc/39/61/69/338396169.db2.gz IRKPTLVRIONRFU-UHFFFAOYSA-N -1 3 311.366 3.928 20 0 DHADHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000441589043 338417323 /nfs/dbraw/zinc/41/73/23/338417323.db2.gz KRGUGPMZOBAYRF-QGZVFWFLSA-N -1 3 312.413 3.569 20 0 DHADHM COc1cc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000442848860 338434450 /nfs/dbraw/zinc/43/44/50/338434450.db2.gz FWYOOFRIOKIHRD-SNVBAGLBSA-N -1 3 321.323 3.512 20 0 DHADHM CC1(C)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CCS1 ZINC000447640372 338562536 /nfs/dbraw/zinc/56/25/36/338562536.db2.gz JJMWATUBGVWREC-UHFFFAOYSA-N -1 3 319.470 3.629 20 0 DHADHM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000447700890 338563832 /nfs/dbraw/zinc/56/38/32/338563832.db2.gz XXLZGUWCJHKBMC-FQEVSTJZSA-N -1 3 309.409 3.813 20 0 DHADHM CC(C)(CCc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448883151 338578217 /nfs/dbraw/zinc/57/82/17/338578217.db2.gz FTACIAOYTNMDKP-UHFFFAOYSA-N -1 3 315.388 3.601 20 0 DHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448907507 338579374 /nfs/dbraw/zinc/57/93/74/338579374.db2.gz GYEAVHIERXAYMS-AWEZNQCLSA-N -1 3 315.388 3.901 20 0 DHADHM C[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000450207601 338671041 /nfs/dbraw/zinc/67/10/41/338671041.db2.gz GCFFTYOYBKIJBE-SJCJKPOMSA-N -1 3 313.372 3.829 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)C1CCC1 ZINC000457848262 338981155 /nfs/dbraw/zinc/98/11/55/338981155.db2.gz PAEBBTCZWVHRAG-MRVPVSSYSA-N -1 3 312.207 3.838 20 0 DHADHM CCOc1cc(CN(CC(F)F)C(C)C)cc(Cl)c1[O-] ZINC000459347671 339023323 /nfs/dbraw/zinc/02/33/23/339023323.db2.gz CPNWNTSGBIGOKT-UHFFFAOYSA-N -1 3 307.768 3.920 20 0 DHADHM CCOc1cc(CN2CCn3cccc3[C@@H]2C)cc(Cl)c1[O-] ZINC000459283607 339019164 /nfs/dbraw/zinc/01/91/64/339019164.db2.gz AAEPPEUUURNGOT-LBPRGKRZSA-N -1 3 320.820 3.823 20 0 DHADHM C[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H](c2ccco2)C1 ZINC000459370117 339025189 /nfs/dbraw/zinc/02/51/89/339025189.db2.gz WXMZPZVOGYGHFT-WFASDCNBSA-N -1 3 313.401 3.626 20 0 DHADHM Cc1cc([C@@H](C)NCc2cc(=O)[n-]c(C3CC3)n2)c(C)s1 ZINC000459391988 339026607 /nfs/dbraw/zinc/02/66/07/339026607.db2.gz KUYMMQVBEDRICL-SNVBAGLBSA-N -1 3 303.431 3.589 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000459456379 339030071 /nfs/dbraw/zinc/03/00/71/339030071.db2.gz FBKUTRGGFAYXML-JTQLQIEISA-N -1 3 324.783 3.829 20 0 DHADHM CCOc1cc(CN[C@@H](C)c2ccncc2F)cc(Cl)c1[O-] ZINC000459547110 339035029 /nfs/dbraw/zinc/03/50/29/339035029.db2.gz SKLXMBMQOOXFPM-JTQLQIEISA-N -1 3 324.783 3.829 20 0 DHADHM CC1(C)CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000462304325 339075506 /nfs/dbraw/zinc/07/55/06/339075506.db2.gz DBQVVQMVPHXTCE-UHFFFAOYSA-N -1 3 319.829 3.726 20 0 DHADHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462316683 339075667 /nfs/dbraw/zinc/07/56/67/339075667.db2.gz MOKIQSBVYDWLBK-UHFFFAOYSA-N -1 3 307.868 3.649 20 0 DHADHM CC(C)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Cl)cc1 ZINC000463018068 339100748 /nfs/dbraw/zinc/10/07/48/339100748.db2.gz FBYJIQZJGRYFOZ-CQSZACIVSA-N -1 3 315.808 3.579 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H]3CC)nc2)n1 ZINC000465053248 339166958 /nfs/dbraw/zinc/16/69/58/339166958.db2.gz JZTPNQSMTTZASI-IUODEOHRSA-N -1 3 312.417 3.797 20 0 DHADHM CCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000465188619 339171168 /nfs/dbraw/zinc/17/11/68/339171168.db2.gz XYYWZOJGKMQELB-OAHLLOKOSA-N -1 3 308.397 3.689 20 0 DHADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000465505004 339178458 /nfs/dbraw/zinc/17/84/58/339178458.db2.gz SRAPVAUMKFMSTQ-PWSUYJOCSA-N -1 3 321.364 3.562 20 0 DHADHM Cc1cc(Br)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000467993962 339250690 /nfs/dbraw/zinc/25/06/90/339250690.db2.gz MXXRHHSOBDYAMG-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000468272927 339258445 /nfs/dbraw/zinc/25/84/45/339258445.db2.gz QJXGLMBXDMYMMQ-MRXNPFEDSA-N -1 3 311.429 3.514 20 0 DHADHM C[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)[C@H]1C ZINC000468576265 339266692 /nfs/dbraw/zinc/26/66/92/339266692.db2.gz IWNZGPLXPQQERZ-WWGRRREGSA-N -1 3 307.409 3.795 20 0 DHADHM CC[C@H]1CCCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468861948 339273045 /nfs/dbraw/zinc/27/30/45/339273045.db2.gz GTCSTRWXKXVWKE-HOCLYGCPSA-N -1 3 307.409 3.939 20 0 DHADHM Cc1ccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000468876217 339273327 /nfs/dbraw/zinc/27/33/27/339273327.db2.gz IKSQKSYNYMJEBL-UHFFFAOYSA-N -1 3 321.417 3.883 20 0 DHADHM Cc1ccsc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469023489 339277844 /nfs/dbraw/zinc/27/78/44/339277844.db2.gz QXHJDBFMTFXFEX-UHFFFAOYSA-N -1 3 307.390 3.540 20 0 DHADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1 ZINC000469094145 339280077 /nfs/dbraw/zinc/28/00/77/339280077.db2.gz AKGQIRFTYSJYDC-UHFFFAOYSA-N -1 3 317.360 3.810 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCC1 ZINC000469145084 339281447 /nfs/dbraw/zinc/28/14/47/339281447.db2.gz KWWIFEILFQQWQE-MRXNPFEDSA-N -1 3 305.393 3.645 20 0 DHADHM C[C@H]1CCC[C@H](C)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469374674 339287308 /nfs/dbraw/zinc/28/73/08/339287308.db2.gz FJGYRIUSIWCLSB-KBPBESRZSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1cccc(F)c1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469806529 339301414 /nfs/dbraw/zinc/30/14/14/339301414.db2.gz KVJDKQMHBUFMOP-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM COC(=O)c1cc(NCc2cc([O-])cc(F)c2)c(C)cc1C ZINC000471822819 339355405 /nfs/dbraw/zinc/35/54/05/339355405.db2.gz NHUMNVOBYJSYHQ-UHFFFAOYSA-N -1 3 303.333 3.547 20 0 DHADHM CCCCN(C(=O)c1csc(=O)[n-]1)[C@H](C)c1ccccc1 ZINC000471949895 339358192 /nfs/dbraw/zinc/35/81/92/339358192.db2.gz ZHEAGANHEWYFEK-GFCCVEGCSA-N -1 3 304.415 3.852 20 0 DHADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000471964167 339358397 /nfs/dbraw/zinc/35/83/97/339358397.db2.gz MTYWNSSOJSJSAJ-UHFFFAOYSA-N -1 3 324.405 3.788 20 0 DHADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCc2ncccc2[O-])CC1 ZINC000472188155 339365630 /nfs/dbraw/zinc/36/56/30/339365630.db2.gz HNONQQIWRVMHMU-KGLIPLIRSA-N -1 3 319.449 3.581 20 0 DHADHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472268648 339368203 /nfs/dbraw/zinc/36/82/03/339368203.db2.gz IICHTFAAVRKHJI-WBVHZDCISA-N -1 3 315.438 3.949 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCc1cnc2ccccc2c1 ZINC000472487792 339372694 /nfs/dbraw/zinc/37/26/94/339372694.db2.gz VSVFWEPNJYKLTC-UHFFFAOYSA-N -1 3 306.365 3.820 20 0 DHADHM [O-]c1cc(F)cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000473132621 339381703 /nfs/dbraw/zinc/38/17/03/339381703.db2.gz NSQHVGAZLQKANR-OAHLLOKOSA-N -1 3 321.779 3.838 20 0 DHADHM CCCOc1ccc(CNCc2cc([O-])cc(F)c2)c(C)c1 ZINC000473984086 339396092 /nfs/dbraw/zinc/39/60/92/339396092.db2.gz QEXFYRCJWDAHTC-UHFFFAOYSA-N -1 3 303.377 3.918 20 0 DHADHM COc1ccccc1-c1ccc(CNCc2ncccc2[O-])cc1 ZINC000475339453 339447819 /nfs/dbraw/zinc/44/78/19/339447819.db2.gz QTKSYGMWIOLFCQ-UHFFFAOYSA-N -1 3 320.392 3.753 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3cnn4ccccc34)ccc12 ZINC000478921575 339524850 /nfs/dbraw/zinc/52/48/50/339524850.db2.gz VHYIGJNVJPLARC-AATRIKPKSA-N -1 3 317.348 3.767 20 0 DHADHM CCc1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)ccc1[O-] ZINC000486775200 339733801 /nfs/dbraw/zinc/73/38/01/339733801.db2.gz IBFRSVGNJQHLJJ-CQSZACIVSA-N -1 3 315.335 3.806 20 0 DHADHM Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)ccc1[O-] ZINC000498503670 339743398 /nfs/dbraw/zinc/74/33/98/339743398.db2.gz DCBQGCQPEUMNRX-UHFFFAOYSA-N -1 3 313.372 3.691 20 0 DHADHM CCc1cc(C(=O)N(C)CC2(c3ccccc3)CC2)ccc1[O-] ZINC000487320769 339751084 /nfs/dbraw/zinc/75/10/84/339751084.db2.gz OJVSDEPIEGPFNC-UHFFFAOYSA-N -1 3 309.409 3.758 20 0 DHADHM O=C(/C=C\c1ccccc1OC(F)F)Nc1ccc([O-])cc1F ZINC000492445791 339900771 /nfs/dbraw/zinc/90/07/71/339900771.db2.gz IABOZIBQNDEYIE-YVMONPNESA-N -1 3 323.270 3.785 20 0 DHADHM O=C(/C=C/[C@@H]1CCOC1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000493560111 339928346 /nfs/dbraw/zinc/92/83/46/339928346.db2.gz XEYOPLRHTGTHGL-MNDMWVCDSA-N -1 3 323.392 3.514 20 0 DHADHM Cc1cc(C(=O)NCc2ccccc2OC2CCC2)ccc1[O-] ZINC000499837162 340045643 /nfs/dbraw/zinc/04/56/43/340045643.db2.gz WBLBLLRYKYDXOE-UHFFFAOYSA-N -1 3 311.381 3.562 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)c1 ZINC000501862347 340089939 /nfs/dbraw/zinc/08/99/39/340089939.db2.gz PQFHRMDJFUNBJF-UHFFFAOYSA-N -1 3 323.389 3.642 20 0 DHADHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cn3ccccc3n2)c1 ZINC000502670888 340110028 /nfs/dbraw/zinc/11/00/28/340110028.db2.gz SJMYWSOSBNQVJE-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCCCc1ccccc1OC ZINC000502902565 340116197 /nfs/dbraw/zinc/11/61/97/340116197.db2.gz ORZLESVMGCMLSH-UHFFFAOYSA-N -1 3 321.446 3.517 20 0 DHADHM CC1CCC(C)([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000504478641 340148164 /nfs/dbraw/zinc/14/81/64/340148164.db2.gz YKRHNJGNNXBURE-UHFFFAOYSA-N -1 3 307.868 3.649 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCc2cscn2)c([O-])c1 ZINC000506242591 340189686 /nfs/dbraw/zinc/18/96/86/340189686.db2.gz FENAEQQFXWMIGK-UHFFFAOYSA-N -1 3 304.415 3.718 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000506976292 340204554 /nfs/dbraw/zinc/20/45/54/340204554.db2.gz XSOOIMGXFRWLMU-SECBINFHSA-N -1 3 308.332 3.515 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000506976292 340204555 /nfs/dbraw/zinc/20/45/55/340204555.db2.gz XSOOIMGXFRWLMU-SECBINFHSA-N -1 3 308.332 3.515 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000506976292 340204556 /nfs/dbraw/zinc/20/45/56/340204556.db2.gz XSOOIMGXFRWLMU-SECBINFHSA-N -1 3 308.332 3.515 20 0 DHADHM [O-]c1ccc(F)c(CN2CCSC[C@H]2c2ccccc2)c1F ZINC000507133201 340208971 /nfs/dbraw/zinc/20/89/71/340208971.db2.gz TVNVYOOAGUVUJD-HNNXBMFYSA-N -1 3 321.392 3.961 20 0 DHADHM [O-]c1ccc(F)c(CN(Cc2cccc(F)c2)C2CC2)c1F ZINC000507172051 340211109 /nfs/dbraw/zinc/21/11/09/340211109.db2.gz ZGCWJFWNDNNETC-UHFFFAOYSA-N -1 3 307.315 3.974 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000507236622 340215140 /nfs/dbraw/zinc/21/51/40/340215140.db2.gz XSVDUZOGDRFAFJ-UHFFFAOYSA-N -1 3 322.151 3.828 20 0 DHADHM Cc1cc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1F ZINC000507580170 340225430 /nfs/dbraw/zinc/22/54/30/340225430.db2.gz BHEGVHUMKYLZQY-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM CC(C)Oc1ncccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000508614620 340248105 /nfs/dbraw/zinc/24/81/05/340248105.db2.gz KQXJLWGBQKDAJS-CMDGGOBGSA-N -1 3 323.352 3.795 20 0 DHADHM Cc1cccc(C(C)(C)NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508989497 340257233 /nfs/dbraw/zinc/25/72/33/340257233.db2.gz ZJCOBUJJEOQTGX-UHFFFAOYSA-N -1 3 317.816 3.948 20 0 DHADHM CCOC(=O)[C@@H](CC)SCc1ccc([O-])c2nc(C)ccc12 ZINC000509064824 340260176 /nfs/dbraw/zinc/26/01/76/340260176.db2.gz JXNIXZVBVLVKMT-OAHLLOKOSA-N -1 3 319.426 3.824 20 0 DHADHM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cccc([O-])c1 ZINC000509078620 340260652 /nfs/dbraw/zinc/26/06/52/340260652.db2.gz GDUVVICFQFIRHC-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM [O-]c1ccc(F)c(CNCCCSc2ccccc2)c1F ZINC000509589848 340274348 /nfs/dbraw/zinc/27/43/48/340274348.db2.gz YASBIKNQLBNXMJ-UHFFFAOYSA-N -1 3 309.381 3.942 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc(C(F)(F)F)cc2)c1F ZINC000509706171 340277623 /nfs/dbraw/zinc/27/76/23/340277623.db2.gz ZZYLKACPYDOBLG-UHFFFAOYSA-N -1 3 317.257 3.979 20 0 DHADHM COc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)ccc1[O-] ZINC000509811546 340279911 /nfs/dbraw/zinc/27/99/11/340279911.db2.gz VIBCYIDUPZYFNA-QGZVFWFLSA-N -1 3 313.397 3.918 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c1 ZINC000510221987 340292936 /nfs/dbraw/zinc/29/29/36/340292936.db2.gz JOTVOHUIHCZOCQ-UHFFFAOYSA-N -1 3 321.364 3.539 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1[O-] ZINC000302995412 340293560 /nfs/dbraw/zinc/29/35/60/340293560.db2.gz YIURWXVAIMTZNO-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccc(Cl)cc1 ZINC000302996478 340293571 /nfs/dbraw/zinc/29/35/71/340293571.db2.gz XHLYYSLZPVXLDV-AWEZNQCLSA-N -1 3 319.788 3.935 20 0 DHADHM [O-]c1ccc(F)c(CNCc2ccc(F)c(Cl)c2)c1F ZINC000510488054 340300914 /nfs/dbraw/zinc/30/09/14/340300914.db2.gz IPGQBMNHMCBNGM-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000303084329 340301096 /nfs/dbraw/zinc/30/10/96/340301096.db2.gz WYRKCIVFQBWTHU-CYBMUJFWSA-N -1 3 323.396 3.561 20 0 DHADHM CCCc1nc(C(=O)[N-]c2cc(Cl)cc(F)c2F)co1 ZINC000510749518 340309422 /nfs/dbraw/zinc/30/94/22/340309422.db2.gz KUYJIOCKMCKWHB-UHFFFAOYSA-N -1 3 300.692 3.811 20 0 DHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000511092769 340320330 /nfs/dbraw/zinc/32/03/30/340320330.db2.gz UYKMZINWIABKJE-ZBEGNZNMSA-N -1 3 313.388 3.601 20 0 DHADHM CCOCCC1(CNCc2c(F)ccc([O-])c2F)CCCC1 ZINC000511564506 340330912 /nfs/dbraw/zinc/33/09/12/340330912.db2.gz GMHGGDYWGOOKFN-UHFFFAOYSA-N -1 3 313.388 3.747 20 0 DHADHM [O-]c1ccc(F)c(CNCC2(Cc3ccccc3)CC2)c1F ZINC000511728532 340336358 /nfs/dbraw/zinc/33/63/58/340336358.db2.gz YLAMSXMKLXXWIW-UHFFFAOYSA-N -1 3 303.352 3.783 20 0 DHADHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)s1 ZINC000511860476 340340741 /nfs/dbraw/zinc/34/07/41/340340741.db2.gz CGOIPYBJHJNDGY-SECBINFHSA-N -1 3 320.805 3.554 20 0 DHADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1cc(F)ccc1F ZINC000303786653 340346881 /nfs/dbraw/zinc/34/68/81/340346881.db2.gz DRCJWHNRIFEZIS-CQSZACIVSA-N -1 3 321.323 3.560 20 0 DHADHM COc1ccc([C@@H](C)CCNC(=O)c2cc(C)ccc2[O-])cc1 ZINC000303959076 340356359 /nfs/dbraw/zinc/35/63/59/340356359.db2.gz VYTJWRPTDMQJNJ-AWEZNQCLSA-N -1 3 313.397 3.633 20 0 DHADHM CCc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000512903968 340383398 /nfs/dbraw/zinc/38/33/98/340383398.db2.gz KLYIYDHOQDDPJD-UHFFFAOYSA-N -1 3 302.374 3.801 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ncccc2Cl)c([O-])c1 ZINC000512904067 340383431 /nfs/dbraw/zinc/38/34/31/340383431.db2.gz LXDLRVOJQUFXNN-UHFFFAOYSA-N -1 3 304.777 3.990 20 0 DHADHM [O-]c1ccc(F)c(CNCC2CC(c3ccccc3)C2)c1F ZINC000513563659 340413539 /nfs/dbraw/zinc/41/35/39/340413539.db2.gz MPYYAPPSOPXSFO-UHFFFAOYSA-N -1 3 303.352 3.954 20 0 DHADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(F)cc1 ZINC000176726761 340430809 /nfs/dbraw/zinc/43/08/09/340430809.db2.gz SLLAQAKQCKTFGU-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM Cc1nnc(SCc2ncccc2[O-])n1[C@@H]1CCC[C@H](C)C1 ZINC000516705189 340454444 /nfs/dbraw/zinc/45/44/44/340454444.db2.gz FSPUNZCACDCNGN-WCQYABFASA-N -1 3 318.446 3.731 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000183031043 340486150 /nfs/dbraw/zinc/48/61/50/340486150.db2.gz UYPGSIACSOXXRB-UHFFFAOYSA-N -1 3 310.328 3.883 20 0 DHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000183270243 340487300 /nfs/dbraw/zinc/48/73/00/340487300.db2.gz FLOVISZMTLFCFZ-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM CCOC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184137521 340490901 /nfs/dbraw/zinc/49/09/01/340490901.db2.gz MMEZRHLXUUPEQH-UHFFFAOYSA-N -1 3 304.321 3.712 20 0 DHADHM COCc1nc(C)c(C(=O)[N-]c2c(C)cccc2SC)s1 ZINC000184612090 340494401 /nfs/dbraw/zinc/49/44/01/340494401.db2.gz FJBUWDUOMBAFEL-UHFFFAOYSA-N -1 3 322.455 3.881 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185008435 340497154 /nfs/dbraw/zinc/49/71/54/340497154.db2.gz CHDABNCHQQQUFB-GHMZBOCLSA-N -1 3 321.298 3.860 20 0 DHADHM [O-]c1cc(F)cc(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000185612362 340503413 /nfs/dbraw/zinc/50/34/13/340503413.db2.gz ONBODKINXQNSIK-UHFFFAOYSA-N -1 3 307.315 3.979 20 0 DHADHM CCOc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186252749 340509881 /nfs/dbraw/zinc/50/98/81/340509881.db2.gz GUOWDSVBYZJIGY-ZDUSSCGKSA-N -1 3 311.381 3.945 20 0 DHADHM CCCCn1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000186263905 340510144 /nfs/dbraw/zinc/51/01/44/340510144.db2.gz GADDPTRWVIDUCS-UHFFFAOYSA-N -1 3 321.808 3.911 20 0 DHADHM C[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)c2c([O-])cccc21 ZINC000186287805 340510547 /nfs/dbraw/zinc/51/05/47/340510547.db2.gz NARPPUKKWLZTQV-JTQLQIEISA-N -1 3 303.308 3.824 20 0 DHADHM CCCOc1ccc(C(C)(C)NCc2ncccc2[O-])cc1 ZINC000572526796 340530331 /nfs/dbraw/zinc/53/03/31/340530331.db2.gz MPCLXKHOQVQQRA-UHFFFAOYSA-N -1 3 300.402 3.601 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000523322085 340620461 /nfs/dbraw/zinc/62/04/61/340620461.db2.gz ODGDGWZRXZSNJT-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000524449783 340654540 /nfs/dbraw/zinc/65/45/40/340654540.db2.gz ATORZYIJGOHQIO-UHFFFAOYSA-N -1 3 323.295 3.563 20 0 DHADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000234996090 340655919 /nfs/dbraw/zinc/65/59/19/340655919.db2.gz GXRZOAHZLAKADQ-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM Cc1cc(C)c(CNC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000572530372 340678233 /nfs/dbraw/zinc/67/82/33/340678233.db2.gz WOLAROHWSPCQKD-UHFFFAOYSA-N -1 3 303.789 3.901 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCCC12CC2 ZINC000529127572 340745412 /nfs/dbraw/zinc/74/54/12/340745412.db2.gz FTMZDXXAJWIZAZ-JTQLQIEISA-N -1 3 315.291 3.810 20 0 DHADHM CCc1cc(C(=O)N[C@@H](c2ccccn2)C2CCC2)ccc1[O-] ZINC000529830931 340770856 /nfs/dbraw/zinc/77/08/56/340770856.db2.gz KKLABZATTSEQQB-GOSISDBHSA-N -1 3 310.397 3.621 20 0 DHADHM CCN(CC)[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC000530006282 340775933 /nfs/dbraw/zinc/77/59/33/340775933.db2.gz NZPMQZRBHVPZTA-INIZCTEOSA-N -1 3 316.376 3.553 20 0 DHADHM COc1cccc(C(=O)N(C)C[C@@H](C)C2CCCCC2)c1[O-] ZINC000530041380 340778284 /nfs/dbraw/zinc/77/82/84/340778284.db2.gz RZCJSGWRYRNYGK-CYBMUJFWSA-N -1 3 305.418 3.689 20 0 DHADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000530179667 340781890 /nfs/dbraw/zinc/78/18/90/340781890.db2.gz NPBPRUKNKYXRAT-GHMZBOCLSA-N -1 3 315.335 3.779 20 0 DHADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)o1 ZINC000124199054 340797693 /nfs/dbraw/zinc/79/76/93/340797693.db2.gz SFDSHMYODZEKGP-LRDDRELGSA-N -1 3 311.381 3.913 20 0 DHADHM Cc1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000125287845 340803375 /nfs/dbraw/zinc/80/33/75/340803375.db2.gz LXSUPWKHAXGTPB-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM Cc1ccccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000538667688 340837534 /nfs/dbraw/zinc/83/75/34/340837534.db2.gz KZCQVORAUPYFQF-GFCCVEGCSA-N -1 3 323.380 3.640 20 0 DHADHM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccccc2[O-])s1 ZINC000127487021 340851741 /nfs/dbraw/zinc/85/17/41/340851741.db2.gz DFXXFJKNTOPMNB-CMDGGOBGSA-N -1 3 302.399 3.798 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(F)cc1Cl ZINC000128277926 340865027 /nfs/dbraw/zinc/86/50/27/340865027.db2.gz HYPSJIPOZQIFCM-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000539847081 340905605 /nfs/dbraw/zinc/90/56/05/340905605.db2.gz KKYWUHJANYQHIT-UHFFFAOYSA-N -1 3 324.380 3.555 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2F)c1 ZINC000539846802 340905663 /nfs/dbraw/zinc/90/56/63/340905663.db2.gz KVWMXPCPHDYMAS-LBPRGKRZSA-N -1 3 301.361 3.927 20 0 DHADHM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000071091825 341022376 /nfs/dbraw/zinc/02/23/76/341022376.db2.gz IUXZIRYOGIAPHA-UHFFFAOYSA-N -1 3 323.439 3.608 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@@H](CC(C)C)c2cccs2)n1 ZINC000543484970 341046933 /nfs/dbraw/zinc/04/69/33/341046933.db2.gz HGRKHWOKHCWVRV-ZDUSSCGKSA-N -1 3 305.447 3.683 20 0 DHADHM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(C)cc1[O-] ZINC000130922560 341054234 /nfs/dbraw/zinc/05/42/34/341054234.db2.gz FEKBVCOSARYHMI-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1ccccc1C ZINC000543746552 341056612 /nfs/dbraw/zinc/05/66/12/341056612.db2.gz DDEDYHZNERDRIT-UHFFFAOYSA-N -1 3 303.789 3.950 20 0 DHADHM CC(C)(C)C1=CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000543746750 341056686 /nfs/dbraw/zinc/05/66/86/341056686.db2.gz ZEPQICDXNQUEPV-UHFFFAOYSA-N -1 3 307.821 3.793 20 0 DHADHM O=S(=O)([N-]C1(Cc2ccccc2)CCCC1)c1cccs1 ZINC000544671040 341090606 /nfs/dbraw/zinc/09/06/06/341090606.db2.gz ANQSJBZRORWLCC-UHFFFAOYSA-N -1 3 321.467 3.582 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000544843064 341096023 /nfs/dbraw/zinc/09/60/23/341096023.db2.gz MSDFSMXUQWZEOC-UHFFFAOYSA-N -1 3 321.364 3.573 20 0 DHADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC[C@H](C)c3cccc([O-])c32)C1 ZINC000545246042 341117152 /nfs/dbraw/zinc/11/71/52/341117152.db2.gz WDSHCMBJURJTRC-QLFBSQMISA-N -1 3 317.429 3.828 20 0 DHADHM O=C([N-]c1ccncc1F)c1cnc(-c2ccsc2)s1 ZINC000132203964 341118316 /nfs/dbraw/zinc/11/83/16/341118316.db2.gz VJGQGSPBZJYAGK-UHFFFAOYSA-N -1 3 305.359 3.658 20 0 DHADHM C[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1F)c1ccccc1 ZINC000133398546 341174486 /nfs/dbraw/zinc/17/44/86/341174486.db2.gz IJRKTRTZZLQLCS-LLVKDONJSA-N -1 3 311.353 3.510 20 0 DHADHM Cc1ccc(F)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1 ZINC000133416640 341174911 /nfs/dbraw/zinc/17/49/11/341174911.db2.gz ZQARSZFGAWNFKY-ZDUSSCGKSA-N -1 3 307.390 3.680 20 0 DHADHM CCCCn1c(=O)[n-]nc1SCc1ccc2ncccc2c1 ZINC000546728040 341180702 /nfs/dbraw/zinc/18/07/02/341180702.db2.gz JODAFUWYQBVCOM-UHFFFAOYSA-N -1 3 314.414 3.624 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3ccnc(OC4CCC4)c3)no2)c1 ZINC000547176155 341199790 /nfs/dbraw/zinc/19/97/90/341199790.db2.gz YWMRPZFYJRLMDW-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM Cn1cc(Cc2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000547295328 341203754 /nfs/dbraw/zinc/20/37/54/341203754.db2.gz PBOATHWHLRVUOD-UHFFFAOYSA-N -1 3 305.337 3.525 20 0 DHADHM CCc1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000134152421 341207924 /nfs/dbraw/zinc/20/79/24/341207924.db2.gz JEJAXYVCOPWALT-UHFFFAOYSA-N -1 3 316.304 3.682 20 0 DHADHM CCc1cc(C)c(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000134971385 341227572 /nfs/dbraw/zinc/22/75/72/341227572.db2.gz QICNELSSPXHEHL-UHFFFAOYSA-N -1 3 324.174 3.871 20 0 DHADHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1 ZINC000078408564 341241645 /nfs/dbraw/zinc/24/16/45/341241645.db2.gz OHLSXTYTKBYMNC-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(C)c1 ZINC000135915416 341248199 /nfs/dbraw/zinc/24/81/99/341248199.db2.gz XZXBVLFYGCPYMP-UHFFFAOYSA-N -1 3 312.394 3.652 20 0 DHADHM COc1ccc(NC(=O)c2ccc([O-])c(C)c2)c2ncccc12 ZINC000548440396 341260805 /nfs/dbraw/zinc/26/08/05/341260805.db2.gz VMIASCXKPUXOJK-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(F)c(OC)cc2C)c1[O-] ZINC000548469695 341262328 /nfs/dbraw/zinc/26/23/28/341262328.db2.gz WYWLIOZJIAUDHI-UHFFFAOYSA-N -1 3 303.333 3.663 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1[O-] ZINC000079726570 341264723 /nfs/dbraw/zinc/26/47/23/341264723.db2.gz LJSQKPQIYRMZAD-UHFFFAOYSA-N -1 3 324.336 3.672 20 0 DHADHM O=C(NCCCC1CC1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548695953 341269760 /nfs/dbraw/zinc/26/97/60/341269760.db2.gz YDVAXSDIAPEROG-UHFFFAOYSA-N -1 3 323.392 3.543 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cnc3ccccn23)c([O-])c1 ZINC000548816734 341276893 /nfs/dbraw/zinc/27/68/93/341276893.db2.gz FFLZDXUQIVPHDP-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548846643 341277825 /nfs/dbraw/zinc/27/78/25/341277825.db2.gz HEWLINJORGWESO-UHFFFAOYSA-N -1 3 324.471 3.523 20 0 DHADHM CCc1cnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000081232749 341282544 /nfs/dbraw/zinc/28/25/44/341282544.db2.gz MNRBHGOPEBJICZ-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM Cc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])on1 ZINC000081459840 341291686 /nfs/dbraw/zinc/29/16/86/341291686.db2.gz VCDAKKNNUTVDRG-UHFFFAOYSA-N -1 3 308.337 3.532 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1N1CCCCC1 ZINC000551468425 341342545 /nfs/dbraw/zinc/34/25/45/341342545.db2.gz LJEGOOFRIPEWTR-UHFFFAOYSA-N -1 3 314.360 3.774 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000552004821 341359196 /nfs/dbraw/zinc/35/91/96/341359196.db2.gz XAVLKWDCZBJJPU-BXUZGUMPSA-N -1 3 303.793 3.652 20 0 DHADHM Cc1ccc([C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC000552009768 341359942 /nfs/dbraw/zinc/35/99/42/341359942.db2.gz JEUDQWZMXZPMEL-AWEZNQCLSA-N -1 3 303.352 3.968 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3o2)c1[O-] ZINC000552069158 341367339 /nfs/dbraw/zinc/36/73/39/341367339.db2.gz FKZSNJAEZIHRAQ-UHFFFAOYSA-N -1 3 309.321 3.902 20 0 DHADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552287021 341384332 /nfs/dbraw/zinc/38/43/32/341384332.db2.gz FLUPYGGXCHCOIV-MRXNPFEDSA-N -1 3 319.401 3.661 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(OC)cc(OC)c2C)c1[O-] ZINC000554574372 341458659 /nfs/dbraw/zinc/45/86/59/341458659.db2.gz ODIQDDVSEOWZKH-UHFFFAOYSA-N -1 3 315.369 3.533 20 0 DHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000565101858 341517061 /nfs/dbraw/zinc/51/70/61/341517061.db2.gz ZEVLOYJAMIXYIU-LBPRGKRZSA-N -1 3 321.726 3.740 20 0 DHADHM Cc1cccc(N(C)C(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000572576462 341562116 /nfs/dbraw/zinc/56/21/16/341562116.db2.gz XKUXUMNTHXSNHF-UHFFFAOYSA-N -1 3 305.790 3.863 20 0 DHADHM O=C(CCCOc1ccccc1F)Nc1c([O-])cccc1Cl ZINC000567186801 341585016 /nfs/dbraw/zinc/58/50/16/341585016.db2.gz FVTBDHURWRVICT-UHFFFAOYSA-N -1 3 323.751 3.982 20 0 DHADHM O=C(C/C=C/c1ccc(F)cc1)N1CCCc2cccc([O-])c21 ZINC000155596073 341610061 /nfs/dbraw/zinc/61/00/61/341610061.db2.gz PMSKTYBWDFNPHS-DAFODLJHSA-N -1 3 311.356 3.914 20 0 DHADHM Cc1ccc([O-])c(C(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000171497624 341778539 /nfs/dbraw/zinc/77/85/39/341778539.db2.gz MHJJSHCKIJOWLQ-MRXNPFEDSA-N -1 3 324.405 3.677 20 0 DHADHM CCSCc1cc(C(=O)[N-]c2nc(C3CCC3)cs2)no1 ZINC000575244049 341789847 /nfs/dbraw/zinc/78/98/47/341789847.db2.gz ORNHPZWYOWTFPY-UHFFFAOYSA-N -1 3 323.443 3.904 20 0 DHADHM O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(Cl)sc2[n-]1 ZINC000576394139 341843997 /nfs/dbraw/zinc/84/39/97/341843997.db2.gz GIOVGGRONDENRQ-UHFFFAOYSA-N -1 3 320.757 3.864 20 0 DHADHM CC(=Cc1ccc(F)cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000576446082 341846556 /nfs/dbraw/zinc/84/65/56/341846556.db2.gz GTKRHPLWKXZKCS-CSKARUKUSA-N -1 3 321.315 3.708 20 0 DHADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000576715772 341859940 /nfs/dbraw/zinc/85/99/40/341859940.db2.gz ODGQKYWGMLUCHM-QMMMGPOBSA-N -1 3 307.781 3.518 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)c(F)cc(F)c1F ZINC000176550132 341885744 /nfs/dbraw/zinc/88/57/44/341885744.db2.gz HFOYVOCOQMOVBR-UHFFFAOYSA-N -1 3 319.641 3.854 20 0 DHADHM CC1(C)CCC[C@@H](CN[C@@H](C(=O)[O-])c2c(F)cccc2F)C1 ZINC000577339155 341904927 /nfs/dbraw/zinc/90/49/27/341904927.db2.gz QSWHTUVCPPJCGT-IAQYHMDHSA-N -1 3 311.372 3.897 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cscc2C)c(F)c1F ZINC000359434361 518281203 /nfs/dbraw/zinc/28/12/03/518281203.db2.gz YDYCFQRZFCMCRR-UHFFFAOYSA-N -1 3 313.300 3.929 20 0 DHADHM CC(C)(C)OCc1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000182292712 518884038 /nfs/dbraw/zinc/88/40/38/518884038.db2.gz SBMRRWKPMUHBHH-UHFFFAOYSA-N -1 3 313.397 3.637 20 0 DHADHM CC(C)(C)c1ccc(C[N-]c2nnc([C@H]3CCCO3)o2)s1 ZINC000181802415 519031258 /nfs/dbraw/zinc/03/12/58/519031258.db2.gz GNMAJGCSXBDHBY-LLVKDONJSA-N -1 3 307.419 3.892 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156070571 519035793 /nfs/dbraw/zinc/03/57/93/519035793.db2.gz GYRQSNSODZQWRK-UHFFFAOYSA-N -1 3 304.312 3.990 20 0 DHADHM CCOCc1nnc([N-]Cc2ccc(-c3ccc(F)cc3)o2)o1 ZINC000181849589 520226267 /nfs/dbraw/zinc/22/62/67/520226267.db2.gz JBKMGZWESIBELZ-UHFFFAOYSA-N -1 3 317.320 3.617 20 0 DHADHM CC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCCC1 ZINC000188964241 520727940 /nfs/dbraw/zinc/72/79/40/520727940.db2.gz MOJIELLHABGSEZ-UHFFFAOYSA-N -1 3 301.308 3.721 20 0 DHADHM CCN(CC)[C@@H](CNCc1cccc([O-])c1Cl)c1ccco1 ZINC000339210749 520840237 /nfs/dbraw/zinc/84/02/37/520840237.db2.gz FCEAHOBDDOYKSQ-AWEZNQCLSA-N -1 3 322.836 3.811 20 0 DHADHM CCc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000154860341 521765350 /nfs/dbraw/zinc/76/53/50/521765350.db2.gz RRTVCNVUIMTOSZ-UHFFFAOYSA-N -1 3 324.355 3.790 20 0 DHADHM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000337589278 522133965 /nfs/dbraw/zinc/13/39/65/522133965.db2.gz BQVAUJHWMKFJLC-QGZVFWFLSA-N -1 3 317.360 3.667 20 0 DHADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1C(C)(C)C ZINC000270531036 523702632 /nfs/dbraw/zinc/70/26/32/523702632.db2.gz ODGSLTSDILUYMK-UHFFFAOYSA-N -1 3 321.808 3.812 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cnc3cnccc3c2)c1[O-] ZINC000337014919 524876900 /nfs/dbraw/zinc/87/69/00/524876900.db2.gz KJDUKMLXHVGOLT-UHFFFAOYSA-N -1 3 313.744 3.550 20 0 DHADHM Cc1cccc2[nH]c(CNCc3cccc([O-])c3Cl)nc21 ZINC000339333092 524988555 /nfs/dbraw/zinc/98/85/55/524988555.db2.gz KJHRORXUCPCAAF-UHFFFAOYSA-N -1 3 301.777 3.520 20 0 DHADHM Cc1cccc2nc(CNCc3cccc([O-])c3Cl)[nH]c21 ZINC000339333092 524988565 /nfs/dbraw/zinc/98/85/65/524988565.db2.gz KJHRORXUCPCAAF-UHFFFAOYSA-N -1 3 301.777 3.520 20 0 DHADHM Cc1cc2occ(CC(=O)[N-]OCCC(F)(F)F)c2cc1C ZINC000162617848 525695840 /nfs/dbraw/zinc/69/58/40/525695840.db2.gz WTVOPJCAESAZMX-UHFFFAOYSA-N -1 3 315.291 3.592 20 0 DHADHM CC(=O)c1cccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000274416724 534885337 /nfs/dbraw/zinc/88/53/37/534885337.db2.gz WYAGEVRRTURFRR-GFCCVEGCSA-N -1 3 309.365 3.749 20 0 DHADHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cccc([O-])c3)nc2c1 ZINC000182255365 526104904 /nfs/dbraw/zinc/10/49/04/526104904.db2.gz ZLTMEVXDVDHDBZ-KRWDZBQOSA-N -1 3 321.380 3.554 20 0 DHADHM Cc1cnc([C@@H](C)NCc2ccc([O-])c3nc(C)ccc23)s1 ZINC000338297666 526125312 /nfs/dbraw/zinc/12/53/12/526125312.db2.gz QQPXKIMCPKLMPH-GFCCVEGCSA-N -1 3 313.426 3.865 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](c3cccs3)C[C@H]2C)c([O-])c1 ZINC000371001121 526141883 /nfs/dbraw/zinc/14/18/83/526141883.db2.gz SANZZVRUMWDWMX-CHWSQXEVSA-N -1 3 301.411 3.780 20 0 DHADHM [O-]c1cccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c1Cl ZINC000339289813 526360845 /nfs/dbraw/zinc/36/08/45/526360845.db2.gz INKVPKZWVUASHM-KBPBESRZSA-N -1 3 305.809 3.516 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c1Cl ZINC000339289815 526361655 /nfs/dbraw/zinc/36/16/55/526361655.db2.gz INKVPKZWVUASHM-KGLIPLIRSA-N -1 3 305.809 3.516 20 0 DHADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[N-]C(=O)C(F)F ZINC000194576420 526574822 /nfs/dbraw/zinc/57/48/22/526574822.db2.gz YLIJSAZCPMDNKY-SSDOTTSWSA-N -1 3 314.332 3.700 20 0 DHADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c1C ZINC000266177591 526639652 /nfs/dbraw/zinc/63/96/52/526639652.db2.gz LFTWTHFMKVYWSE-CYBMUJFWSA-N -1 3 316.401 3.995 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cccnc1Cl ZINC000109109571 527503748 /nfs/dbraw/zinc/50/37/48/527503748.db2.gz XEKCFDASTXBCRG-UHFFFAOYSA-N -1 3 322.802 3.567 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)on1 ZINC000274338250 535353775 /nfs/dbraw/zinc/35/37/75/535353775.db2.gz COXKDKOXUGUBGL-LLVKDONJSA-N -1 3 300.358 3.658 20 0 DHADHM Cc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737369530 598934965 /nfs/dbraw/zinc/93/49/65/598934965.db2.gz VYAAHMYVXBJKJP-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM Cc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737369530 598934967 /nfs/dbraw/zinc/93/49/67/598934967.db2.gz VYAAHMYVXBJKJP-UHFFFAOYSA-N -1 3 317.805 3.683 20 0 DHADHM C[C@H](SC1=Nc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189133 598939254 /nfs/dbraw/zinc/93/92/54/598939254.db2.gz NZYMADULSMTBTO-NSHDSACASA-N -1 3 321.409 3.947 20 0 DHADHM C[C@H](SC1=Nc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189133 598939256 /nfs/dbraw/zinc/93/92/56/598939256.db2.gz NZYMADULSMTBTO-NSHDSACASA-N -1 3 321.409 3.947 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779505 601913290 /nfs/dbraw/zinc/91/32/90/601913290.db2.gz ILOBMJPSTDECFL-YMTOWFKASA-N -1 3 302.201 3.851 20 0 DHADHM Fc1ccc(CSc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737650295 599111438 /nfs/dbraw/zinc/11/14/38/599111438.db2.gz QIHJNVMEPFEECB-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1ccc(CSc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737650295 599111440 /nfs/dbraw/zinc/11/14/40/599111440.db2.gz QIHJNVMEPFEECB-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821049271 599151265 /nfs/dbraw/zinc/15/12/65/599151265.db2.gz JWZFDBXFESNOTI-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821049271 599151267 /nfs/dbraw/zinc/15/12/67/599151267.db2.gz JWZFDBXFESNOTI-LLVKDONJSA-N -1 3 319.384 3.551 20 0 DHADHM Cc1nc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737483965 599173898 /nfs/dbraw/zinc/17/38/98/599173898.db2.gz QVWQUJDZPOMMPO-JTQLQIEISA-N -1 3 317.443 3.793 20 0 DHADHM Cc1nc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737483965 599173901 /nfs/dbraw/zinc/17/39/01/599173901.db2.gz QVWQUJDZPOMMPO-JTQLQIEISA-N -1 3 317.443 3.793 20 0 DHADHM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202792 597085662 /nfs/dbraw/zinc/08/56/62/597085662.db2.gz ZJUFIWBGLPYMQL-KBPBESRZSA-N -1 3 314.385 3.589 20 0 DHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000736138674 598236954 /nfs/dbraw/zinc/23/69/54/598236954.db2.gz NOXVCQJTBYXVHK-SSDOTTSWSA-N -1 3 323.784 3.894 20 0 DHADHM Cc1cc2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000737284361 598237390 /nfs/dbraw/zinc/23/73/90/598237390.db2.gz JXRNVWJXLBNCQA-UHFFFAOYSA-N -1 3 308.320 3.539 20 0 DHADHM Cc1cc2cc(Nc3cccc(F)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000737284361 598237392 /nfs/dbraw/zinc/23/73/92/598237392.db2.gz JXRNVWJXLBNCQA-UHFFFAOYSA-N -1 3 308.320 3.539 20 0 DHADHM Fc1cccc(S[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000737663702 598243496 /nfs/dbraw/zinc/24/34/96/598243496.db2.gz JSSHDMQTKJBWDJ-ZDUSSCGKSA-N -1 3 312.373 3.785 20 0 DHADHM Clc1cccc(SCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737573959 598294095 /nfs/dbraw/zinc/29/40/95/598294095.db2.gz IHVLMHAONBLCAX-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Clc1cccc(SCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737573959 598294096 /nfs/dbraw/zinc/29/40/96/598294096.db2.gz IHVLMHAONBLCAX-UHFFFAOYSA-N -1 3 302.790 3.812 20 0 DHADHM Fc1cccc(Sc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000737664028 598299338 /nfs/dbraw/zinc/29/93/38/598299338.db2.gz LSTBWVQJIXUYHH-UHFFFAOYSA-N -1 3 306.753 3.810 20 0 DHADHM CC[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736335183 598331089 /nfs/dbraw/zinc/33/10/89/598331089.db2.gz YPWRAPSVLLPIHK-QWHCGFSZSA-N -1 3 316.405 3.543 20 0 DHADHM CC[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736335183 598331091 /nfs/dbraw/zinc/33/10/91/598331091.db2.gz YPWRAPSVLLPIHK-QWHCGFSZSA-N -1 3 316.405 3.543 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1csc2ccccc12 ZINC000736134349 598362659 /nfs/dbraw/zinc/36/26/59/598362659.db2.gz CGAFNJVKUBIFOA-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1csc2ccccc12 ZINC000736134349 598362662 /nfs/dbraw/zinc/36/26/62/598362662.db2.gz CGAFNJVKUBIFOA-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000736138174 598426581 /nfs/dbraw/zinc/42/65/81/598426581.db2.gz OPFWKCBTQWWXBS-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000736138174 598426583 /nfs/dbraw/zinc/42/65/83/598426583.db2.gz OPFWKCBTQWWXBS-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM Clc1ccccc1CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000737584006 598493588 /nfs/dbraw/zinc/49/35/88/598493588.db2.gz PKNVWZVXHZAQCA-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccccc1CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000737584006 598493589 /nfs/dbraw/zinc/49/35/89/598493589.db2.gz PKNVWZVXHZAQCA-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM C[C@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735992324 598506483 /nfs/dbraw/zinc/50/64/83/598506483.db2.gz BYUHPZSENGTQIF-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735992324 598506485 /nfs/dbraw/zinc/50/64/85/598506485.db2.gz BYUHPZSENGTQIF-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM CCC[C@@H](C)CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736421700 598514977 /nfs/dbraw/zinc/51/49/77/598514977.db2.gz CDNKHVHYWYBJTD-SECBINFHSA-N -1 3 321.450 3.564 20 0 DHADHM CCC[C@@H](C)CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736421700 598514978 /nfs/dbraw/zinc/51/49/78/598514978.db2.gz CDNKHVHYWYBJTD-SECBINFHSA-N -1 3 321.450 3.564 20 0 DHADHM CCCCCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736448201 598516537 /nfs/dbraw/zinc/51/65/37/598516537.db2.gz VLACOBJWJPQRBF-UHFFFAOYSA-N -1 3 321.450 3.708 20 0 DHADHM CCCCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736448201 598516539 /nfs/dbraw/zinc/51/65/39/598516539.db2.gz VLACOBJWJPQRBF-UHFFFAOYSA-N -1 3 321.450 3.708 20 0 DHADHM Cc1ccc(Cl)c(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737343011 598643170 /nfs/dbraw/zinc/64/31/70/598643170.db2.gz KQCSQXSAQOUCKB-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccc(Cl)c(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737343011 598643172 /nfs/dbraw/zinc/64/31/72/598643172.db2.gz KQCSQXSAQOUCKB-UHFFFAOYSA-N -1 3 318.739 3.547 20 0 DHADHM Cc1ccccc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737427818 598643226 /nfs/dbraw/zinc/64/32/26/598643226.db2.gz FUNMGBXTELWAFU-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM Cc1ccccc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737427818 598643228 /nfs/dbraw/zinc/64/32/28/598643228.db2.gz FUNMGBXTELWAFU-UHFFFAOYSA-N -1 3 314.389 3.748 20 0 DHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737025388 599323888 /nfs/dbraw/zinc/32/38/88/599323888.db2.gz YXJLQDXXAGGEML-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737025388 599323891 /nfs/dbraw/zinc/32/38/91/599323891.db2.gz YXJLQDXXAGGEML-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM Cc1ncc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737491604 599326643 /nfs/dbraw/zinc/32/66/43/599326643.db2.gz MAAAUAOFUDVABA-VIFPVBQESA-N -1 3 317.443 3.626 20 0 DHADHM Cc1ncc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737491604 599326645 /nfs/dbraw/zinc/32/66/45/599326645.db2.gz MAAAUAOFUDVABA-VIFPVBQESA-N -1 3 317.443 3.626 20 0 DHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821383276 599373676 /nfs/dbraw/zinc/37/36/76/599373676.db2.gz AQRTUWOGGUWOFS-CYBMUJFWSA-N -1 3 323.400 3.576 20 0 DHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821383276 599373678 /nfs/dbraw/zinc/37/36/78/599373678.db2.gz AQRTUWOGGUWOFS-CYBMUJFWSA-N -1 3 323.400 3.576 20 0 DHADHM CCc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000736690706 599409318 /nfs/dbraw/zinc/40/93/18/599409318.db2.gz MJDKPORXNRHJAU-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM CCc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000736690706 599409321 /nfs/dbraw/zinc/40/93/21/599409321.db2.gz MJDKPORXNRHJAU-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM C[C@H](CCc1ccco1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820254627 599464487 /nfs/dbraw/zinc/46/44/87/599464487.db2.gz SHHMREKXFNWGCD-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](CCc1ccco1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820254627 599464489 /nfs/dbraw/zinc/46/44/89/599464489.db2.gz SHHMREKXFNWGCD-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820455240 599464671 /nfs/dbraw/zinc/46/46/71/599464671.db2.gz FUCQLSLKICNPBK-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820455240 599464672 /nfs/dbraw/zinc/46/46/72/599464672.db2.gz FUCQLSLKICNPBK-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821950923 599562087 /nfs/dbraw/zinc/56/20/87/599562087.db2.gz SINMGXRDTWUWGU-NXEZZACHSA-N -1 3 323.853 3.606 20 0 DHADHM CS[C@@H]1CCC[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821950923 599562089 /nfs/dbraw/zinc/56/20/89/599562089.db2.gz SINMGXRDTWUWGU-NXEZZACHSA-N -1 3 323.853 3.606 20 0 DHADHM Cc1cccc(C)c1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000737391286 599598910 /nfs/dbraw/zinc/59/89/10/599598910.db2.gz XGNQGIMZNWVSFG-UHFFFAOYSA-N -1 3 310.426 3.917 20 0 DHADHM Cc1cccc(C)c1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000737391286 599598912 /nfs/dbraw/zinc/59/89/12/599598912.db2.gz XGNQGIMZNWVSFG-UHFFFAOYSA-N -1 3 310.426 3.917 20 0 DHADHM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CCCC2)o1 ZINC000740130845 599803976 /nfs/dbraw/zinc/80/39/76/599803976.db2.gz SZXVPNXRIXKGJP-UHFFFAOYSA-N -1 3 303.333 3.676 20 0 DHADHM C[C@H](CN(Cc1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000652488858 599946472 /nfs/dbraw/zinc/94/64/72/599946472.db2.gz QAKWZGHYUBYDHM-SECBINFHSA-N -1 3 302.201 3.679 20 0 DHADHM O=C([O-])c1cc(F)ccc1CN(Cc1cccs1)C1CC1 ZINC000071265069 600083537 /nfs/dbraw/zinc/08/35/37/600083537.db2.gz KJAARGIKFBKWPO-UHFFFAOYSA-N -1 3 305.374 3.750 20 0 DHADHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccccc1F ZINC000341540717 600227777 /nfs/dbraw/zinc/22/77/77/600227777.db2.gz YPAVWGXSEBMQCH-UHFFFAOYSA-N -1 3 301.361 3.693 20 0 DHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)[O-])cc1)CCC2 ZINC000263571400 600336136 /nfs/dbraw/zinc/33/61/36/600336136.db2.gz JIFUTJFPJKCDHJ-HNNXBMFYSA-N -1 3 316.426 3.659 20 0 DHADHM O=C([O-])c1coc(CN(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000517576272 600629895 /nfs/dbraw/zinc/62/98/95/600629895.db2.gz SNJGEIGMFRAASN-UHFFFAOYSA-N -1 3 303.333 3.529 20 0 DHADHM O=C([O-])c1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000740125815 600630299 /nfs/dbraw/zinc/63/02/99/600630299.db2.gz OMBQNNVFAIVAKB-QGZVFWFLSA-N -1 3 313.422 3.675 20 0 DHADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736663609 600639811 /nfs/dbraw/zinc/63/98/11/600639811.db2.gz CJJCGUFIFFOFBB-LBPRGKRZSA-N -1 3 319.788 3.654 20 0 DHADHM CCCCOCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413459 600744331 /nfs/dbraw/zinc/74/43/31/600744331.db2.gz QZRNAUBRYHEIOE-ZDUSSCGKSA-N -1 3 320.216 3.525 20 0 DHADHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832921073 600744387 /nfs/dbraw/zinc/74/43/87/600744387.db2.gz KTTHGCHUIRTWGA-GUYCJALGSA-N -1 3 301.361 3.919 20 0 DHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2occc2C(=O)[O-])C1 ZINC000516975507 600836030 /nfs/dbraw/zinc/83/60/30/600836030.db2.gz AHEDWINBIBMECW-XHDPSFHLSA-N -1 3 303.333 3.700 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000263583002 600980618 /nfs/dbraw/zinc/98/06/18/600980618.db2.gz ZINYNEQRKYGBEQ-UHFFFAOYSA-N -1 3 324.424 3.617 20 0 DHADHM C/C(=C\CN1Cc2ccccc2C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825747285 601177787 /nfs/dbraw/zinc/17/77/87/601177787.db2.gz RREIHLGMNOESHQ-FERCGXDMSA-N -1 3 307.393 3.817 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000277457513 601203353 /nfs/dbraw/zinc/20/33/53/601203353.db2.gz VLEYVIAIAMEYIL-IINYFYTJSA-N -1 3 309.818 3.953 20 0 DHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1F ZINC000833312915 601621613 /nfs/dbraw/zinc/62/16/13/601621613.db2.gz KKFMSWZRJMIKHW-KRWDZBQOSA-N -1 3 315.344 3.567 20 0 DHADHM O=C([O-])[C@@H](NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000037952462 601970497 /nfs/dbraw/zinc/97/04/97/601970497.db2.gz MLFFRJTVLVOIEM-AWEZNQCLSA-N -1 3 310.180 3.909 20 0 DHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000827728239 604287705 /nfs/dbraw/zinc/28/77/05/604287705.db2.gz QDMRNHKGGOFDOI-VHSXEESVSA-N -1 3 317.216 3.786 20 0 DHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(-c2ccccc2)o1 ZINC000827717207 604292359 /nfs/dbraw/zinc/29/23/59/604292359.db2.gz FKFJURKGHPYUQB-UKRRQHHQSA-N -1 3 314.385 3.740 20 0 DHADHM Cc1cc([C@@H](C)N2CC[C@@H](Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000832870562 604384308 /nfs/dbraw/zinc/38/43/08/604384308.db2.gz JZALIBHXWGMQAX-UKRRQHHQSA-N -1 3 314.385 3.534 20 0 DHADHM CC(C)Oc1cccc(CN(C)Cc2ccc(C(=O)[O-])s2)c1 ZINC000833507433 604620760 /nfs/dbraw/zinc/62/07/60/604620760.db2.gz MRLZZCLYBJYRKT-UHFFFAOYSA-N -1 3 319.426 3.866 20 0 DHADHM CC(C)(C)c1ncc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000665342376 604641338 /nfs/dbraw/zinc/64/13/38/604641338.db2.gz ZIKAARDUWNMFLW-UHFFFAOYSA-N -1 3 310.463 3.517 20 0 DHADHM FC(F)(F)CCCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826367942 607713736 /nfs/dbraw/zinc/71/37/36/607713736.db2.gz VHMOLETYLGVQGK-UHFFFAOYSA-N -1 3 320.702 3.632 20 0 DHADHM FC(F)(F)CCCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826367942 607713738 /nfs/dbraw/zinc/71/37/38/607713738.db2.gz VHMOLETYLGVQGK-UHFFFAOYSA-N -1 3 320.702 3.632 20 0 DHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652498339 604951877 /nfs/dbraw/zinc/95/18/77/604951877.db2.gz FFLGHNGRDGPRCW-QWHCGFSZSA-N -1 3 322.449 3.856 20 0 DHADHM C[C@H](c1c(F)cccc1F)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000317297360 604952125 /nfs/dbraw/zinc/95/21/25/604952125.db2.gz RHJRCBOZFHYWFM-NEPJUHHUSA-N -1 3 311.372 3.849 20 0 DHADHM C[C@@]1(NCc2csc(C3CCCC3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833571425 605069728 /nfs/dbraw/zinc/06/97/28/605069728.db2.gz YXXRSMLDHOXGJG-WMLDXEAASA-N -1 3 322.474 3.924 20 0 DHADHM CN(Cc1cc2ccccc2o1)Cc1ccccc1CC(=O)[O-] ZINC000833694087 605073785 /nfs/dbraw/zinc/07/37/85/605073785.db2.gz JIFIJLVWELQRSG-UHFFFAOYSA-N -1 3 309.365 3.692 20 0 DHADHM CC(C)N(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCC1 ZINC000563284304 605214853 /nfs/dbraw/zinc/21/48/53/605214853.db2.gz SLPDXQNVGUFWPF-UHFFFAOYSA-N -1 3 314.385 3.803 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000135050301 605547717 /nfs/dbraw/zinc/54/77/17/605547717.db2.gz LJJXBXVTEWFHJO-GFCCVEGCSA-N -1 3 313.800 3.802 20 0 DHADHM C[C@@H](CCN[C@@H](C)c1nc(-c2ccccc2)cs1)NC(=O)[O-] ZINC000833805580 605848378 /nfs/dbraw/zinc/84/83/78/605848378.db2.gz RGCHTQAXJDWUGN-RYUDHWBXSA-N -1 3 319.430 3.507 20 0 DHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cc2ccccc2s1 ZINC000820455740 606077702 /nfs/dbraw/zinc/07/77/02/606077702.db2.gz NAUIYKCMZOZKFT-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cc2ccccc2s1 ZINC000820455740 606077707 /nfs/dbraw/zinc/07/77/07/606077707.db2.gz NAUIYKCMZOZKFT-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM CC(C)C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000820055886 606102235 /nfs/dbraw/zinc/10/22/35/606102235.db2.gz LDZWEKLRKNUJAM-LBPRGKRZSA-N -1 3 314.418 3.523 20 0 DHADHM CC(C)C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000820055886 606102239 /nfs/dbraw/zinc/10/22/39/606102239.db2.gz LDZWEKLRKNUJAM-LBPRGKRZSA-N -1 3 314.418 3.523 20 0 DHADHM Fc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000822786281 606131402 /nfs/dbraw/zinc/13/14/02/606131402.db2.gz HMUCFIHXWARWEI-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM Fc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000822786281 606131404 /nfs/dbraw/zinc/13/14/04/606131404.db2.gz HMUCFIHXWARWEI-UHFFFAOYSA-N -1 3 318.352 3.578 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820555605 606327022 /nfs/dbraw/zinc/32/70/22/606327022.db2.gz NPTWKENFCLUWIK-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000820555605 606327024 /nfs/dbraw/zinc/32/70/24/606327024.db2.gz NPTWKENFCLUWIK-SNVBAGLBSA-N -1 3 300.362 3.859 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000822229641 606733792 /nfs/dbraw/zinc/73/37/92/606733792.db2.gz YJHRIYDMSSGTPL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000822229641 606733793 /nfs/dbraw/zinc/73/37/93/606733793.db2.gz YJHRIYDMSSGTPL-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000822229596 606733827 /nfs/dbraw/zinc/73/38/27/606733827.db2.gz XVRFHWQSPGVZHC-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000822229596 606733828 /nfs/dbraw/zinc/73/38/28/606733828.db2.gz XVRFHWQSPGVZHC-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM CCC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000825225730 608159740 /nfs/dbraw/zinc/15/97/40/608159740.db2.gz WWMPTENPULUQFN-LLVKDONJSA-N -1 3 321.812 3.531 20 0 DHADHM CCC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000825225730 608159741 /nfs/dbraw/zinc/15/97/41/608159741.db2.gz WWMPTENPULUQFN-LLVKDONJSA-N -1 3 321.812 3.531 20 0 DHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000826274861 608300339 /nfs/dbraw/zinc/30/03/39/608300339.db2.gz HHTXVHUNUGGCLK-BDJLRTHQSA-N -1 3 320.400 3.621 20 0 DHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000826274861 608300340 /nfs/dbraw/zinc/30/03/40/608300340.db2.gz HHTXVHUNUGGCLK-BDJLRTHQSA-N -1 3 320.400 3.621 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000736139284 608416096 /nfs/dbraw/zinc/41/60/96/608416096.db2.gz PZXNEZQYNACAJN-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000736139284 608416098 /nfs/dbraw/zinc/41/60/98/608416098.db2.gz PZXNEZQYNACAJN-VIFPVBQESA-N -1 3 317.755 3.832 20 0 DHADHM Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826288405 608449939 /nfs/dbraw/zinc/44/99/39/608449939.db2.gz FUHBCDSZXZDDPO-UHFFFAOYSA-N -1 3 305.794 3.502 20 0 DHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826291595 608479118 /nfs/dbraw/zinc/47/91/18/608479118.db2.gz NCOCOYGQEKOBKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826291595 608479119 /nfs/dbraw/zinc/47/91/19/608479119.db2.gz NCOCOYGQEKOBKR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Fc1c(CNc2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000826371281 608479642 /nfs/dbraw/zinc/47/96/42/608479642.db2.gz ZWGBHMOQMCAAKE-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1c(CNc2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000826371281 608479644 /nfs/dbraw/zinc/47/96/44/608479644.db2.gz ZWGBHMOQMCAAKE-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1c(CNc2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000826371147 608479850 /nfs/dbraw/zinc/47/98/50/608479850.db2.gz VGBXUXVNYRWXAS-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM Fc1c(CNc2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000826371147 608479852 /nfs/dbraw/zinc/47/98/52/608479852.db2.gz VGBXUXVNYRWXAS-UHFFFAOYSA-N -1 3 319.343 3.771 20 0 DHADHM CCCc1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000736495130 944836249 /nfs/dbraw/zinc/83/62/49/944836249.db2.gz IRWIPQMUCXFGJO-UHFFFAOYSA-N -1 3 317.443 3.568 20 0 DHADHM CCCc1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000736495130 944836254 /nfs/dbraw/zinc/83/62/54/944836254.db2.gz IRWIPQMUCXFGJO-UHFFFAOYSA-N -1 3 317.443 3.568 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C[C@H](CC)C(C)C)s1 ZINC000736678190 944867920 /nfs/dbraw/zinc/86/79/20/944867920.db2.gz ADOXMRZVULIUJR-JTQLQIEISA-N -1 3 321.450 3.501 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C[C@H](CC)C(C)C)s1 ZINC000736678190 944867928 /nfs/dbraw/zinc/86/79/28/944867928.db2.gz ADOXMRZVULIUJR-JTQLQIEISA-N -1 3 321.450 3.501 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820825739 945560244 /nfs/dbraw/zinc/56/02/44/945560244.db2.gz CNFQUNZQUOXYEA-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM C[C@@H]1c2ccccc2CN1c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820825739 945560246 /nfs/dbraw/zinc/56/02/46/945560246.db2.gz CNFQUNZQUOXYEA-SNVBAGLBSA-N -1 3 311.776 3.601 20 0 DHADHM CC[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cn1 ZINC001589568416 948887356 /nfs/dbraw/zinc/88/73/56/948887356.db2.gz LUBGBSZDOFEZGW-ZOBUZTSGSA-N -1 3 314.360 3.575 20 0 DHADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263380828 950423570 /nfs/dbraw/zinc/42/35/70/950423570.db2.gz BORCRAWRFJSBEV-MFKMUULPSA-N -1 3 301.308 3.548 20 0 DHADHM C[C@H]1CCc2ccccc2[C@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001576217341 950758954 /nfs/dbraw/zinc/75/89/54/950758954.db2.gz NCBFPNPOAFRHTG-GTNSWQLSSA-N -1 3 323.375 3.741 20 0 DHADHM C[C@H]1CCc2ccccc2[C@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001576217341 950758962 /nfs/dbraw/zinc/75/89/62/950758962.db2.gz NCBFPNPOAFRHTG-GTNSWQLSSA-N -1 3 323.375 3.741 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)C1 ZINC001594993392 951058618 /nfs/dbraw/zinc/05/86/18/951058618.db2.gz HDFNLLLDRYEHAS-JTQLQIEISA-N -1 3 324.833 3.636 20 0 DHADHM Cc1nc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c(C)o1 ZINC000339940205 1013112105 /nfs/dbraw/zinc/11/21/05/1013112105.db2.gz VDEFATGVRCECAW-UHFFFAOYSA-N -1 3 320.418 3.518 20 0 DHADHM O=C([O-])[C@@H]1CN(CCc2ccccc2Cl)Cc2ccccc21 ZINC000652470815 954088729 /nfs/dbraw/zinc/08/87/29/954088729.db2.gz KFVAEMTYJPESCS-MRXNPFEDSA-N -1 3 315.800 3.567 20 0 DHADHM C[C@H]1CCN(CCc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC001589355541 954133660 /nfs/dbraw/zinc/13/36/60/954133660.db2.gz SJSPDEZJMITYPA-JQWIXIFHSA-N -1 3 316.228 3.579 20 0 DHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC001589131507 956197708 /nfs/dbraw/zinc/19/77/08/956197708.db2.gz QTYNZUPORNXGSP-JTQLQIEISA-N -1 3 306.312 3.568 20 0 DHADHM O=C([O-])[C@@H](NCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000037966610 957340923 /nfs/dbraw/zinc/34/09/23/957340923.db2.gz NEXIXCODORDOFR-LBPRGKRZSA-N -1 3 315.316 3.682 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594360779 958446372 /nfs/dbraw/zinc/44/63/72/958446372.db2.gz AZMDMKCWLDKTHI-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584315 959962516 /nfs/dbraw/zinc/96/25/16/959962516.db2.gz RTGVEGJDHKAWPV-YWVKMMECSA-N -1 3 302.201 3.849 20 0 DHADHM Cc1cccc([C@H](NCc2cnc3c(F)cccc3c2)C(=O)[O-])c1 ZINC001574395160 961209382 /nfs/dbraw/zinc/20/93/82/961209382.db2.gz UOLDWFLKPYRMRX-SFHVURJKSA-N -1 3 324.355 3.598 20 0 DHADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263414575 962582349 /nfs/dbraw/zinc/58/23/49/962582349.db2.gz MSEDFQOJQOWRFW-GWCFXTLKSA-N -1 3 301.308 3.548 20 0 DHADHM CCCCOc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263441615 962621396 /nfs/dbraw/zinc/62/13/96/962621396.db2.gz DRKUXTRTYIJIMQ-UHFFFAOYSA-N -1 3 313.397 3.854 20 0 DHADHM C[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366739 1013381686 /nfs/dbraw/zinc/38/16/86/1013381686.db2.gz NAGOBQSPLNLSJY-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000155404470 1013447907 /nfs/dbraw/zinc/44/79/07/1013447907.db2.gz RKGPGRQWBCBUNV-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000155404470 1013447917 /nfs/dbraw/zinc/44/79/17/1013447917.db2.gz RKGPGRQWBCBUNV-NSHDSACASA-N -1 3 305.161 3.573 20 0 DHADHM C[C@H](NC1CCC(C(F)(F)F)CC1)c1ncc(C(=O)[O-])s1 ZINC000315278944 963874427 /nfs/dbraw/zinc/87/44/27/963874427.db2.gz FQISKSKLVMBQRX-UEJVZZJDSA-N -1 3 322.352 3.613 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1-n1cccc1 ZINC000340326330 1013496126 /nfs/dbraw/zinc/49/61/26/1013496126.db2.gz ADCCPRUVJKWKOG-UHFFFAOYSA-N -1 3 302.330 3.636 20 0 DHADHM O=C(Nc1cccc(NC2CCCC2)c1)c1c([O-])cccc1O ZINC000125782279 1013525660 /nfs/dbraw/zinc/52/56/60/1013525660.db2.gz YVQJUSIWBFHPCD-UHFFFAOYSA-N -1 3 312.369 3.705 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC000331227232 1013864507 /nfs/dbraw/zinc/86/45/07/1013864507.db2.gz DKPIZNBLXCVFAD-CYBMUJFWSA-N -1 3 318.417 3.683 20 0 DHADHM CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000331194959 1013865837 /nfs/dbraw/zinc/86/58/37/1013865837.db2.gz SZLQLLQKKMDKRH-ZWNOBZJWSA-N -1 3 317.307 3.555 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1[O-] ZINC000331332211 1013873280 /nfs/dbraw/zinc/87/32/80/1013873280.db2.gz HXLVOGZUGCPSNW-CXAGYDPISA-N -1 3 323.392 3.613 20 0 DHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1[O-] ZINC000331348929 1013876617 /nfs/dbraw/zinc/87/66/17/1013876617.db2.gz NCWPQIPPGDXAQF-DYVFJYSZSA-N -1 3 323.392 3.613 20 0 DHADHM CCc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c([O-])c1 ZINC000188864768 1013899798 /nfs/dbraw/zinc/89/97/98/1013899798.db2.gz BEMMNEVDJQDMHG-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM C[C@H](NCc1csc(C(C)(C)C)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099557 1013993956 /nfs/dbraw/zinc/99/39/56/1013993956.db2.gz XTOMBMZOOOQNRK-WCFLWFBJSA-N -1 3 324.490 3.666 20 0 DHADHM O=C([O-])[C@H](NCc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC001605903342 972744222 /nfs/dbraw/zinc/74/42/22/972744222.db2.gz HVQQIPAMMSBXIP-GOSISDBHSA-N -1 3 313.372 3.620 20 0 DHADHM [O-]c1cccc(Nc2c(F)cccc2N2CCOCC2)c1Cl ZINC001210859704 1014074195 /nfs/dbraw/zinc/07/41/95/1014074195.db2.gz KTQRGBHGIYWJPM-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM COc1c(F)cc(F)cc1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001210865916 1014075018 /nfs/dbraw/zinc/07/50/18/1014075018.db2.gz YCFWQUMIZHVVEA-UHFFFAOYSA-N -1 3 309.316 3.734 20 0 DHADHM Cc1cccc([C@H](NCc2ccccc2OC(C)C)C(=O)[O-])c1 ZINC001605328860 973189596 /nfs/dbraw/zinc/18/95/96/973189596.db2.gz FIXQSANFZUKJLV-SFHVURJKSA-N -1 3 313.397 3.698 20 0 DHADHM CC(C)Oc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000255474650 1014103999 /nfs/dbraw/zinc/10/39/99/1014103999.db2.gz TXDMPIGHUMOTKD-FLIBITNWSA-N -1 3 315.344 3.970 20 0 DHADHM Cc1ccc(CN(Cc2ccc(C(=O)[O-])cn2)C(C)C)s1 ZINC000519758899 974334684 /nfs/dbraw/zinc/33/46/84/974334684.db2.gz KLOIYGFTRONYHO-UHFFFAOYSA-N -1 3 304.415 3.560 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(CC)CC ZINC000565106445 974572141 /nfs/dbraw/zinc/57/21/41/974572141.db2.gz QDABUYPCQSXTMT-GJZGRUSLSA-N -1 3 323.433 3.702 20 0 DHADHM C[C@]1(CCc2ccccc2)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000570403772 974710716 /nfs/dbraw/zinc/71/07/16/974710716.db2.gz UORSHNIIMWJNNN-IBGZPJMESA-N -1 3 313.397 3.823 20 0 DHADHM CC[C@H]1CCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000576472756 974815377 /nfs/dbraw/zinc/81/53/77/974815377.db2.gz JHINVXYIYIHJDO-INIZCTEOSA-N -1 3 314.385 3.804 20 0 DHADHM Cc1oc(CN(C)CCCCc2ccccc2)cc1C(=O)[O-] ZINC000579842213 974883207 /nfs/dbraw/zinc/88/32/07/974883207.db2.gz BWYVANVZJCNALL-UHFFFAOYSA-N -1 3 301.386 3.741 20 0 DHADHM CC(C)COc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000076273352 1014221836 /nfs/dbraw/zinc/22/18/36/1014221836.db2.gz FRZLQXGLMBZNGW-UHFFFAOYSA-N -1 3 313.397 3.709 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000652515217 975573547 /nfs/dbraw/zinc/57/35/47/975573547.db2.gz TXBWZBLFCYDION-QWHCGFSZSA-N -1 3 314.212 3.536 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2cnc3ccccc3c2)[C@H]2CCCC[C@@H]12 ZINC000656766333 975699149 /nfs/dbraw/zinc/69/91/49/975699149.db2.gz OOAFWMPFMOMKQG-SCTDSRPQSA-N -1 3 324.424 3.700 20 0 DHADHM CC(C)OCc1ccccc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC001591735885 975729868 /nfs/dbraw/zinc/72/98/68/975729868.db2.gz YIPBUSHNSKCGJB-INIZCTEOSA-N -1 3 319.426 3.589 20 0 DHADHM CC(C)c1[nH]c(CN2CCC(C3CCC3)CC2)cc1C(=O)[O-] ZINC001591912220 976339934 /nfs/dbraw/zinc/33/99/34/976339934.db2.gz GXPZBOPBVQTYBA-UHFFFAOYSA-N -1 3 304.434 3.848 20 0 DHADHM CC(C)c1cccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001591986803 976609788 /nfs/dbraw/zinc/60/97/88/976609788.db2.gz IMBFPSXJZYDNNF-LJQANCHMSA-N -1 3 312.413 3.685 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000055652262 1014383750 /nfs/dbraw/zinc/38/37/50/1014383750.db2.gz JHPRFOYCWHOKGA-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1c(F)cc(F)c(F)c1F ZINC001592444970 978107501 /nfs/dbraw/zinc/10/75/01/978107501.db2.gz HOEHOAZHECZDDA-MRVPVSSYSA-N -1 3 321.314 3.612 20 0 DHADHM CN(CCCOc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])o1 ZINC000565838243 1014506419 /nfs/dbraw/zinc/50/64/19/1014506419.db2.gz LWQXUCPQHQZQTL-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1Cl ZINC000569152033 1014535973 /nfs/dbraw/zinc/53/59/73/1014535973.db2.gz WWXQGOSWXYQSFY-UHFFFAOYSA-N -1 3 319.744 3.509 20 0 DHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1C(F)(F)F ZINC000827717321 978964252 /nfs/dbraw/zinc/96/42/52/978964252.db2.gz GMMRDFMMMHISKY-HZMBPMFUSA-N -1 3 324.302 3.577 20 0 DHADHM C[C@@H](CNC(C)(C)c1cc(C(=O)[O-])on1)c1cccc(Cl)c1 ZINC001592704958 979165667 /nfs/dbraw/zinc/16/56/67/979165667.db2.gz BBFJXIHCCWYDDX-JTQLQIEISA-N -1 3 322.792 3.655 20 0 DHADHM O=C([O-])c1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000840994637 979292552 /nfs/dbraw/zinc/29/25/52/979292552.db2.gz JFMHIIMLHLVYRZ-KRWDZBQOSA-N -1 3 323.392 3.921 20 0 DHADHM C[C@@H](c1nc2ccccc2s1)N(C)CCC(C)(C)C(=O)[O-] ZINC000859782770 979628953 /nfs/dbraw/zinc/62/89/53/979628953.db2.gz ABYTUKZGCABWOV-NSHDSACASA-N -1 3 306.431 3.790 20 0 DHADHM CC(C)c1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000859812410 979642764 /nfs/dbraw/zinc/64/27/64/979642764.db2.gz ORLQDQJGKVLFQH-LBPRGKRZSA-N -1 3 310.463 3.589 20 0 DHADHM CC(C)(CCN1CCc2c(cccc2C(F)(F)F)C1)C(=O)[O-] ZINC000859820413 979653251 /nfs/dbraw/zinc/65/32/51/979653251.db2.gz TVRHIJNDBBZNID-UHFFFAOYSA-N -1 3 315.335 3.564 20 0 DHADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC001595276351 980299411 /nfs/dbraw/zinc/29/94/11/980299411.db2.gz DRTWDJJKYKUDSM-LSDHHAIUSA-N -1 3 305.399 3.623 20 0 DHADHM CC[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(C(=O)[O-])cc1 ZINC001595284162 980353415 /nfs/dbraw/zinc/35/34/15/980353415.db2.gz QBCRATKUUJIPOJ-IAGOWNOFSA-N -1 3 311.381 3.819 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442236286 1014651880 /nfs/dbraw/zinc/65/18/80/1014651880.db2.gz LWVQXYCBQNUHQV-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM O=C([O-])c1cccc2c1CN(CCc1cccc(Cl)c1)CC2 ZINC000901779951 980511022 /nfs/dbraw/zinc/51/10/22/980511022.db2.gz WMTVFFRNYIBBAX-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM C[C@H](NC[C@@]1(C)C[C@@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000901907338 980620685 /nfs/dbraw/zinc/62/06/85/980620685.db2.gz FPTGXTSSWOXZPB-XTQGRXLLSA-N -1 3 316.426 3.686 20 0 DHADHM C[C@@](CC(=O)[O-])(NCc1csc(-c2cccs2)n1)C1CC1 ZINC000901949195 980645398 /nfs/dbraw/zinc/64/53/98/980645398.db2.gz CEXGXPIZOCCEKG-HNNXBMFYSA-N -1 3 322.455 3.605 20 0 DHADHM Cc1[nH]c2c(cc(C)cc2CNCc2ccoc2C(=O)[O-])c1C ZINC000902185682 980773522 /nfs/dbraw/zinc/77/35/22/980773522.db2.gz SOOFOOUSDQTXTP-UHFFFAOYSA-N -1 3 312.369 3.674 20 0 DHADHM Cc1ccc(CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)s1 ZINC000902220866 980788173 /nfs/dbraw/zinc/78/81/73/980788173.db2.gz MHGYBMYEMYUSMA-CYBMUJFWSA-N -1 3 319.426 3.540 20 0 DHADHM CCSc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902221156 980788937 /nfs/dbraw/zinc/78/89/37/980788937.db2.gz NQBNMRAJONOZET-LLVKDONJSA-N -1 3 305.399 3.941 20 0 DHADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000902305254 980825607 /nfs/dbraw/zinc/82/56/07/980825607.db2.gz QAYSKHXFZMCKML-JTQLQIEISA-N -1 3 321.446 3.557 20 0 DHADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902339700 980839160 /nfs/dbraw/zinc/83/91/60/980839160.db2.gz WHWNNGSQUZUBEY-PRPBQZHISA-N -1 3 311.381 3.791 20 0 DHADHM CCc1oc(CN[C@@H]2c3ccccc3CC[C@@H]2C)cc1C(=O)[O-] ZINC000902340060 980839784 /nfs/dbraw/zinc/83/97/84/980839784.db2.gz XRHCTMHWLCFQBI-SGTLLEGYSA-N -1 3 313.397 3.953 20 0 DHADHM O=C([O-])c1cc(CNC2(c3cccc(F)c3)CCC2)cs1 ZINC000902372112 980859331 /nfs/dbraw/zinc/85/93/31/980859331.db2.gz GXJQXXGKILXWOK-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM O=C([O-])c1csc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000902374175 980860054 /nfs/dbraw/zinc/86/00/54/980860054.db2.gz YSNPPDNBVXHZBO-UHFFFAOYSA-N -1 3 305.374 3.754 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902528191 980922711 /nfs/dbraw/zinc/92/27/11/980922711.db2.gz OGLJDNWSSNONEH-NXEZZACHSA-N -1 3 312.207 3.520 20 0 DHADHM CCOc1cccc([C@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000903677398 981012267 /nfs/dbraw/zinc/01/22/67/981012267.db2.gz QZTMBHDLEBSZDW-NSHDSACASA-N -1 3 305.399 3.696 20 0 DHADHM Cc1ccc(CN(Cc2cncc(C(=O)[O-])c2)C(C)C)s1 ZINC000903888989 981022330 /nfs/dbraw/zinc/02/23/30/981022330.db2.gz BDDSTAZVVOLGPK-UHFFFAOYSA-N -1 3 304.415 3.560 20 0 DHADHM CC(C)Oc1cccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000176001575 1014790462 /nfs/dbraw/zinc/79/04/62/1014790462.db2.gz HBAVRKMDACLWOQ-SECBINFHSA-N -1 3 307.287 3.551 20 0 DHADHM CC[C@@H](C)[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC001594876389 982213544 /nfs/dbraw/zinc/21/35/44/982213544.db2.gz LLIKSTPUXWGBSR-NOZJJQNGSA-N -1 3 304.217 3.925 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000627724482 1014932579 /nfs/dbraw/zinc/93/25/79/1014932579.db2.gz QMAXPIZSKWNZJL-ZDUSSCGKSA-N -1 3 301.361 3.543 20 0 DHADHM COC(=O)c1onc(C)c1[N-]c1c(F)ccc(SC)c1F ZINC001215838786 1014936252 /nfs/dbraw/zinc/93/62/52/1014936252.db2.gz GWSXKYOIFCGMNF-UHFFFAOYSA-N -1 3 314.313 3.513 20 0 DHADHM CCN(Cc1ccc2ccccc2c1)Cc1cccc(C(=O)[O-])n1 ZINC001596364469 983847841 /nfs/dbraw/zinc/84/78/41/983847841.db2.gz HKOUFOBNNGYZGJ-UHFFFAOYSA-N -1 3 320.392 3.955 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)c3ccccc32)cc1[O-] ZINC000665360667 1015049606 /nfs/dbraw/zinc/04/96/06/1015049606.db2.gz VMOSPMXZNUCZAM-UHFFFAOYSA-N -1 3 309.365 3.533 20 0 DHADHM Cc1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000581672126 1015193244 /nfs/dbraw/zinc/19/32/44/1015193244.db2.gz URWDDFQHAORZQG-ZBTGYSDGSA-N -1 3 311.381 3.964 20 0 DHADHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597074816 986602676 /nfs/dbraw/zinc/60/26/76/986602676.db2.gz VULROJTWUYARSF-ABAIWWIYSA-N -1 3 305.399 3.623 20 0 DHADHM CCOc1ccccc1[C@H](CC)N[C@H](C(=O)[O-])c1ccccc1 ZINC001597173283 987015031 /nfs/dbraw/zinc/01/50/31/987015031.db2.gz SHGVPHRTAVRPPN-WMZOPIPTSA-N -1 3 313.397 3.952 20 0 DHADHM CCOc1ccccc1[C@H](C)NCc1ccccc1CC(=O)[O-] ZINC001597173628 987020744 /nfs/dbraw/zinc/02/07/44/987020744.db2.gz ZTCFFDNBQOKAFE-AWEZNQCLSA-N -1 3 313.397 3.563 20 0 DHADHM CCSc1ccc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597272335 987320101 /nfs/dbraw/zinc/32/01/01/987320101.db2.gz DYZJAYHCBFQFTP-NSHDSACASA-N -1 3 304.415 3.676 20 0 DHADHM CCc1[nH]c(CNC2(c3cccc(C)c3)CCC2)cc1C(=O)[O-] ZINC001597390492 987616946 /nfs/dbraw/zinc/61/69/46/987616946.db2.gz DMKYMNVTUCTRFX-UHFFFAOYSA-N -1 3 312.413 3.753 20 0 DHADHM CCc1ccc(CN(Cc2oncc2C(=O)[O-])CC(C)C)cc1 ZINC001597526088 988168752 /nfs/dbraw/zinc/16/87/52/988168752.db2.gz JVTHRHSPBSMKBY-UHFFFAOYSA-N -1 3 316.401 3.593 20 0 DHADHM CCc1cccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001597586541 988404756 /nfs/dbraw/zinc/40/47/56/988404756.db2.gz GRSXRJMAYWNAFJ-CQSZACIVSA-N -1 3 313.397 3.563 20 0 DHADHM CCOCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000341563460 1015534308 /nfs/dbraw/zinc/53/43/08/1015534308.db2.gz IMBRKRQGBSDFHF-UHFFFAOYSA-N -1 3 305.761 3.834 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H](Cc3nccs3)C2)c1F ZINC000896535302 1015621554 /nfs/dbraw/zinc/62/15/54/1015621554.db2.gz KVKWJJRMTUACBC-LLVKDONJSA-N -1 3 324.396 3.582 20 0 DHADHM CN(C(=O)C1CC1)c1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC000896565536 1015644398 /nfs/dbraw/zinc/64/43/98/1015644398.db2.gz LBVSWJVVCHSTIK-UHFFFAOYSA-N -1 3 314.360 3.516 20 0 DHADHM O=C(Cc1coc2cc(F)ccc12)Nc1cccc([O-])c1F ZINC000535657684 1015697193 /nfs/dbraw/zinc/69/71/93/1015697193.db2.gz IBKVGNNESWCWAT-UHFFFAOYSA-N -1 3 303.264 3.598 20 0 DHADHM CC(C)Oc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276948316 1015767765 /nfs/dbraw/zinc/76/77/65/1015767765.db2.gz DMXQNRXBAAVVRC-INIZCTEOSA-N -1 3 319.426 3.841 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC001593195069 994143880 /nfs/dbraw/zinc/14/38/80/994143880.db2.gz PJBTVYURHUFSQC-NOZJJQNGSA-N -1 3 312.291 3.510 20 0 DHADHM C[C@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cncs1 ZINC001593220386 994311021 /nfs/dbraw/zinc/31/10/21/994311021.db2.gz RYRLTRLHNDSBJS-IINYFYTJSA-N -1 3 302.399 3.570 20 0 DHADHM CCc1cc(=O)[n-]c(CSCc2ccc(OC)c(Cl)c2)n1 ZINC000479160895 1033679210 /nfs/dbraw/zinc/67/92/10/1033679210.db2.gz JFUDJOYAQGAEHV-UHFFFAOYSA-N -1 3 324.833 3.840 20 0 DHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000866862390 1016129844 /nfs/dbraw/zinc/12/98/44/1016129844.db2.gz GIGQRLALPVTROO-IBGZPJMESA-N -1 3 312.413 3.534 20 0 DHADHM C[C@]1(CNCc2cc(C(=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC001594026925 997565633 /nfs/dbraw/zinc/56/56/33/997565633.db2.gz TUCKTDYVTJJPTE-GFCCVEGCSA-N -1 3 322.619 3.712 20 0 DHADHM C[C@@]1(CNCc2cc(C(=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC001594026926 997565906 /nfs/dbraw/zinc/56/59/06/997565906.db2.gz TUCKTDYVTJJPTE-LBPRGKRZSA-N -1 3 322.619 3.712 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(C)cs1 ZINC000277299809 1016170902 /nfs/dbraw/zinc/17/09/02/1016170902.db2.gz AXIIRUKKPMVZKV-LBPRGKRZSA-N -1 3 310.806 3.692 20 0 DHADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000277325347 1016200613 /nfs/dbraw/zinc/20/06/13/1016200613.db2.gz CMDFAPILVWNUKZ-KGLIPLIRSA-N -1 3 313.850 3.840 20 0 DHADHM C[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)[C@H](C(=O)[O-])C1 ZINC001594424594 999589001 /nfs/dbraw/zinc/58/90/01/999589001.db2.gz XJBIFPXNWJHURQ-ABAIWWIYSA-N -1 3 318.804 3.573 20 0 DHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000622386724 1016384706 /nfs/dbraw/zinc/38/47/06/1016384706.db2.gz DFWUNLITTFZQBB-HNNXBMFYSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c([O-])c1C ZINC000622500607 1016430268 /nfs/dbraw/zinc/43/02/68/1016430268.db2.gz WGUNRIQMICJMOM-UHFFFAOYSA-N -1 3 313.401 3.652 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncccc1Cl ZINC000346551898 1016451431 /nfs/dbraw/zinc/45/14/31/1016451431.db2.gz OVPRWFUKPNVRML-UHFFFAOYSA-N -1 3 313.744 3.951 20 0 DHADHM CC1(C)CCC[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622623032 1016489647 /nfs/dbraw/zinc/48/96/47/1016489647.db2.gz IOVGVUVTQCRYGV-NSHDSACASA-N -1 3 315.335 3.967 20 0 DHADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622623031 1016490320 /nfs/dbraw/zinc/49/03/20/1016490320.db2.gz IOVGVUVTQCRYGV-LLVKDONJSA-N -1 3 315.335 3.967 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2cc(F)ccc2s1 ZINC000172417198 1016671099 /nfs/dbraw/zinc/67/10/99/1016671099.db2.gz UGNSPDZZVZJTQO-UHFFFAOYSA-N -1 3 319.332 3.815 20 0 DHADHM O=C(/C=C\c1ccc2ccccc2n1)Nc1cc(F)ccc1[O-] ZINC000255504343 1016681599 /nfs/dbraw/zinc/68/15/99/1016681599.db2.gz SPKRHBQXKZJLNM-NTMALXAHSA-N -1 3 308.312 3.731 20 0 DHADHM CSc1ccccc1[C@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000281763519 1016709647 /nfs/dbraw/zinc/70/96/47/1016709647.db2.gz RUOPBGCQAHJNOW-RYUDHWBXSA-N -1 3 303.431 3.624 20 0 DHADHM Cc1nc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)cs1 ZINC000294778784 1032151738 /nfs/dbraw/zinc/15/17/38/1032151738.db2.gz UHHIIIZEBWFQCS-CYBMUJFWSA-N -1 3 310.369 3.772 20 0 DHADHM CC(C)Sc1ccccc1[N-]C(=O)c1noc2c1COCC2 ZINC000623199864 1016907106 /nfs/dbraw/zinc/90/71/06/1016907106.db2.gz VUOABZCKACWWLI-UHFFFAOYSA-N -1 3 318.398 3.500 20 0 DHADHM Cc1cccc(C2=CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000192718943 1016992224 /nfs/dbraw/zinc/99/22/24/1016992224.db2.gz VRPPFKKNFDGOJC-HNNXBMFYSA-N -1 3 309.413 3.649 20 0 DHADHM CCc1cc(=O)[n-]c(CSCCC(Cl)(Cl)Cl)n1 ZINC000185572071 1017018575 /nfs/dbraw/zinc/01/85/75/1017018575.db2.gz JEHNQRZDRMDCFT-UHFFFAOYSA-N -1 3 315.653 3.738 20 0 DHADHM O=c1nc(-c2ccc([O-])cc2)[nH]c2sc3c(c21)CCCCC3 ZINC000046702744 1032174386 /nfs/dbraw/zinc/17/43/86/1032174386.db2.gz HIPCDHDMFWCRML-UHFFFAOYSA-N -1 3 312.394 3.626 20 0 DHADHM CCO[C@H]1C[C@@H](NC(=O)c2ccc(CC)cc2[O-])C1(CC)CC ZINC001148355322 1032392153 /nfs/dbraw/zinc/39/21/53/1032392153.db2.gz QZESBKONJODWQP-SJORKVTESA-N -1 3 319.445 3.668 20 0 DHADHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CCCC2(C)C)cc1[O-] ZINC001148522085 1032407512 /nfs/dbraw/zinc/40/75/12/1032407512.db2.gz BAFHPALQCNEUBL-AWEZNQCLSA-N -1 3 303.402 3.541 20 0 DHADHM Cc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)c([O-])c1 ZINC001148505986 1032409649 /nfs/dbraw/zinc/40/96/49/1032409649.db2.gz OQJLDJNKMNGPIS-UHFFFAOYSA-N -1 3 301.361 3.591 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(F)c(Cl)nc2Cl)c([O-])c1 ZINC001148492086 1032409798 /nfs/dbraw/zinc/40/97/98/1032409798.db2.gz GXPGIKSSQZRJGR-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM Cc1ccc(C(=O)NCC(C)(C)c2c[nH]c3ccccc32)c([O-])c1 ZINC001148506828 1032412224 /nfs/dbraw/zinc/41/22/24/1032412224.db2.gz AQSKBQMSVFMPDI-UHFFFAOYSA-N -1 3 322.408 3.890 20 0 DHADHM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179636579 1017276220 /nfs/dbraw/zinc/27/62/20/1017276220.db2.gz LSMYNQDNEDJAFI-GTNSWQLSSA-N -1 3 319.788 3.539 20 0 DHADHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc([O-])ccc1Cl ZINC000277839809 1017320510 /nfs/dbraw/zinc/32/05/10/1017320510.db2.gz XZOFJQJJWVMWIV-KRWDZBQOSA-N -1 3 315.800 3.797 20 0 DHADHM Cc1cc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000049406981 1011899295 /nfs/dbraw/zinc/89/92/95/1011899295.db2.gz SWSZVKWHHSHZTD-DKFQHHCZSA-N -1 3 319.408 3.908 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424417900 1012016129 /nfs/dbraw/zinc/01/61/29/1012016129.db2.gz MINIGCRTCLEZNN-NOZJJQNGSA-N -1 3 319.298 3.530 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccccc2)n1 ZINC000424614903 1012076449 /nfs/dbraw/zinc/07/64/49/1012076449.db2.gz DDXNKHXNBKYRLZ-SWLSCSKDSA-N -1 3 318.442 3.645 20 0 DHADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)Cc1ccccc1 ZINC000683171511 1012236607 /nfs/dbraw/zinc/23/66/07/1012236607.db2.gz MDIHARQMBLVYTQ-CYBMUJFWSA-N -1 3 321.779 3.512 20 0 DHADHM C[C@@H](CCNCc1c(Cl)cccc1OC(F)F)CC(=O)[O-] ZINC000683172682 1012244873 /nfs/dbraw/zinc/24/48/73/1012244873.db2.gz YGSWJXPIFGDBJW-VIFPVBQESA-N -1 3 321.751 3.532 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(NC2CCCCC2)n1 ZINC000874242759 1032612007 /nfs/dbraw/zinc/61/20/07/1032612007.db2.gz CATHQROOYAJHNL-UHFFFAOYSA-N -1 3 320.418 3.745 20 0 DHADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000425118231 1012295607 /nfs/dbraw/zinc/29/56/07/1012295607.db2.gz LLCGDBMBZFCEKY-MRXNPFEDSA-N -1 3 311.381 3.711 20 0 DHADHM COc1ccc(-c2nnsc2[N-]c2cc(C)cnc2F)cc1 ZINC001211498250 1012337187 /nfs/dbraw/zinc/33/71/87/1012337187.db2.gz CSMOSNMOAJPQSQ-UHFFFAOYSA-N -1 3 316.361 3.800 20 0 DHADHM CC(C)OCCSc1nnc([N-]c2ccccc2F)s1 ZINC000047080311 1012357481 /nfs/dbraw/zinc/35/74/81/1012357481.db2.gz JOHCVSGGMRDJLX-UHFFFAOYSA-N -1 3 313.423 3.938 20 0 DHADHM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC000515491321 1012645746 /nfs/dbraw/zinc/64/57/46/1012645746.db2.gz ASFWLNDTAOERCI-OTYXRUKQSA-N -1 3 302.201 3.536 20 0 DHADHM CC(C)c1ccc(C(=O)N2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC000874481062 1032648891 /nfs/dbraw/zinc/64/88/91/1032648891.db2.gz KNMKCJSLPMGFLZ-OAHLLOKOSA-N -1 3 315.335 3.930 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C(C)C)C3CC3)nc2)n1 ZINC000664545595 1012726231 /nfs/dbraw/zinc/72/62/31/1012726231.db2.gz ISCNHJFKGIKFSX-KRWDZBQOSA-N -1 3 312.417 3.653 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2c(Cl)ccc(Cl)c2Cl)S1 ZINC000115663206 1032688344 /nfs/dbraw/zinc/68/83/44/1032688344.db2.gz IGAKPZUHZYZWKU-CLTKARDFSA-N -1 3 308.573 3.971 20 0 DHADHM COc1cccc(Cl)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179642576 1017279662 /nfs/dbraw/zinc/27/96/62/1017279662.db2.gz ZOPAWCKUIMAASR-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM CC(=O)c1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179805722 1017313666 /nfs/dbraw/zinc/31/36/66/1017313666.db2.gz GZPKUOATKITSRT-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2ccc(F)c(C)c2)c([O-])c1 ZINC000444424768 1017378624 /nfs/dbraw/zinc/37/86/24/1017378624.db2.gz MJYTYONGKZGNQN-UHFFFAOYSA-N -1 3 301.361 3.674 20 0 DHADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])n1cnc2ccccc21 ZINC000339007811 1032697422 /nfs/dbraw/zinc/69/74/22/1032697422.db2.gz XPQREGBCMBHBGK-SNVBAGLBSA-N -1 3 315.760 3.595 20 0 DHADHM O=c1nc(CSCC2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000125119910 1032694206 /nfs/dbraw/zinc/69/42/06/1032694206.db2.gz REXFAQROPLBRHC-UHFFFAOYSA-N -1 3 318.423 3.888 20 0 DHADHM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000339008077 1032700910 /nfs/dbraw/zinc/70/09/10/1032700910.db2.gz KUROAQMLCMFJMC-MRVPVSSYSA-N -1 3 308.765 3.783 20 0 DHADHM COC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)c(Cl)s1 ZINC001213373565 1017619993 /nfs/dbraw/zinc/61/99/93/1017619993.db2.gz MBBUGMLOEWNHDI-UHFFFAOYSA-N -1 3 319.716 3.916 20 0 DHADHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523482812 1017708248 /nfs/dbraw/zinc/70/82/48/1017708248.db2.gz NYXVJBADAPYTDA-HIFRSBDPSA-N -1 3 308.397 3.545 20 0 DHADHM CCOC[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000458093745 1017721135 /nfs/dbraw/zinc/72/11/35/1017721135.db2.gz QKVQHYUIJNFWCV-INIZCTEOSA-N -1 3 313.397 3.577 20 0 DHADHM CCSc1ccc([C@H](C)NCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000182117648 1017863216 /nfs/dbraw/zinc/86/32/16/1017863216.db2.gz POVWNEAQTRBASV-LBPRGKRZSA-N -1 3 317.458 3.707 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1csc(C(C)(C)C)n1 ZINC000674258435 1017919005 /nfs/dbraw/zinc/91/90/05/1017919005.db2.gz LYISSFMHBPYVDN-UHFFFAOYSA-N -1 3 307.444 3.810 20 0 DHADHM COc1cc(C(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)on1 ZINC000183403123 1018021628 /nfs/dbraw/zinc/02/16/28/1018021628.db2.gz PJNUHNGQKCPYNV-UHFFFAOYSA-N -1 3 321.547 3.896 20 0 DHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000675104986 1018248856 /nfs/dbraw/zinc/24/88/56/1018248856.db2.gz SUQXUZHYPLOKJM-UHFFFAOYSA-N -1 3 314.360 3.539 20 0 DHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000193294789 1018267877 /nfs/dbraw/zinc/26/78/77/1018267877.db2.gz KWYFEMJYGZMADN-JTQLQIEISA-N -1 3 305.761 3.584 20 0 DHADHM CCCCCC(C)(C)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000764563208 1018316199 /nfs/dbraw/zinc/31/61/99/1018316199.db2.gz WBJUQYMUYILQCD-UHFFFAOYSA-N -1 3 323.433 3.746 20 0 DHADHM CC(C)c1nccc(NCc2ccc([O-])c(Br)c2)n1 ZINC000155648144 1018325785 /nfs/dbraw/zinc/32/57/85/1018325785.db2.gz JIGVTFCMYKBFNI-UHFFFAOYSA-N -1 3 322.206 3.680 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC34CCC4)c2)n1 ZINC000675297980 1018332968 /nfs/dbraw/zinc/33/29/68/1018332968.db2.gz IFGYDEUYSXZBLC-HNNXBMFYSA-N -1 3 323.396 3.540 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccs3)cc2F)S1 ZINC000874926897 1032761816 /nfs/dbraw/zinc/76/18/16/1032761816.db2.gz AITVEPMWWYUVSX-GHXNOFRVSA-N -1 3 305.355 3.878 20 0 DHADHM CCCCn1ncc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000343247306 1018498455 /nfs/dbraw/zinc/49/84/55/1018498455.db2.gz VVYVQGMCCVXUBP-UHFFFAOYSA-N -1 3 307.781 3.603 20 0 DHADHM O=C(N[C@H](CC1CCC1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000527112163 1018517442 /nfs/dbraw/zinc/51/74/42/1018517442.db2.gz UYHJQGCAMYRAGP-QGZVFWFLSA-N -1 3 320.396 3.619 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1CC ZINC000486092774 1018542476 /nfs/dbraw/zinc/54/24/76/1018542476.db2.gz SDBABEOJSACLBW-UHFFFAOYSA-N -1 3 319.426 3.621 20 0 DHADHM C[C@H]([N-]c1nnc(C2CC2)o1)c1nc2ccccc2n1C(F)F ZINC000278441755 1018697506 /nfs/dbraw/zinc/69/75/06/1018697506.db2.gz QSRACOUZGGLSDB-QMMMGPOBSA-N -1 3 319.315 3.865 20 0 DHADHM C[C@@H]([N-]c1nnc(C2CC2)o1)c1nc2ccccc2n1C(F)F ZINC000278441753 1018698285 /nfs/dbraw/zinc/69/82/85/1018698285.db2.gz QSRACOUZGGLSDB-MRVPVSSYSA-N -1 3 319.315 3.865 20 0 DHADHM O=C(N[C@H]1CCc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000471592974 1018881532 /nfs/dbraw/zinc/88/15/32/1018881532.db2.gz IDEUCNGMBNREBN-SFHVURJKSA-N -1 3 317.388 3.833 20 0 DHADHM FC(F)c1nnc([N-][C@@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000330350766 1018921593 /nfs/dbraw/zinc/92/15/93/1018921593.db2.gz LLPSPPIZJKZTKJ-MRVPVSSYSA-N -1 3 320.126 4.413 20 0 DHADHM Cc1cccc(NC2CCN(C(=O)c3c(C)cccc3[O-])CC2)c1 ZINC000625779668 1018927003 /nfs/dbraw/zinc/92/70/03/1018927003.db2.gz XNQOCWDIGMHUNL-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC000471749829 1018931355 /nfs/dbraw/zinc/93/13/55/1018931355.db2.gz VVGXBNGUSPHBJZ-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM Cc1cnc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000354849474 1018972624 /nfs/dbraw/zinc/97/26/24/1018972624.db2.gz LFTSXVDZTMSBDR-LLVKDONJSA-N -1 3 312.394 3.801 20 0 DHADHM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000007057528 1018999374 /nfs/dbraw/zinc/99/93/74/1018999374.db2.gz VEOUEOHPYGVGAD-UHFFFAOYSA-N -1 3 301.411 3.539 20 0 DHADHM Cc1c([O-])ccc2c(CNc3ccc(F)c(F)c3)cc(=O)oc12 ZINC000052874751 1019014938 /nfs/dbraw/zinc/01/49/38/1019014938.db2.gz JXUFUKYFRTXZHB-UHFFFAOYSA-N -1 3 317.291 3.697 20 0 DHADHM CCO[C@@H](CCNC(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000354905369 1019024635 /nfs/dbraw/zinc/02/46/35/1019024635.db2.gz DDAJPGRYOBSDNS-SFHVURJKSA-N -1 3 315.413 3.726 20 0 DHADHM C[C@H]1CCCC[C@@H]1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000063579529 1019059615 /nfs/dbraw/zinc/05/96/15/1019059615.db2.gz VWTILZPRZPMKFC-JQWIXIFHSA-N -1 3 318.442 3.569 20 0 DHADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1C ZINC000170933033 1019077276 /nfs/dbraw/zinc/07/72/76/1019077276.db2.gz DWFNEJIYKYTFBO-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000151814310 1019092284 /nfs/dbraw/zinc/09/22/84/1019092284.db2.gz LFANLOMJZPZQLM-UKRRQHHQSA-N -1 3 308.397 3.642 20 0 DHADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000026874895 1019134067 /nfs/dbraw/zinc/13/40/67/1019134067.db2.gz UZCGXJNJNSLQED-UWVGGRQHSA-N -1 3 322.257 3.850 20 0 DHADHM COc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1O ZINC000355689979 1019135326 /nfs/dbraw/zinc/13/53/26/1019135326.db2.gz OGOPZGOAQXGTSK-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM CCc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1[O-] ZINC000081710011 1019218260 /nfs/dbraw/zinc/21/82/60/1019218260.db2.gz QAIROSRSASJMKD-UHFFFAOYSA-N -1 3 323.392 3.590 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCSC2(CCCCC2)C1 ZINC000626021315 1019237900 /nfs/dbraw/zinc/23/79/00/1019237900.db2.gz WSXWKQBOIVGGJW-UHFFFAOYSA-N -1 3 305.443 3.593 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000626047994 1019270869 /nfs/dbraw/zinc/27/08/69/1019270869.db2.gz BXFSTUZBVFNATI-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM O=C([O-])[C@H]1CN(CC/C=C\c2ccccc2)Cc2ccccc21 ZINC000323708548 1019344332 /nfs/dbraw/zinc/34/43/32/1019344332.db2.gz MEBMZMRTTQKSSA-SMTIMMHKSA-N -1 3 307.393 3.774 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000078680415 1019345522 /nfs/dbraw/zinc/34/55/22/1019345522.db2.gz GJFPQOOAJFTNIL-UHFFFAOYSA-N -1 3 324.336 3.672 20 0 DHADHM O=C([O-])[C@@H]1CN(CC/C=C/c2ccccc2)Cc2ccccc21 ZINC000323708549 1019345912 /nfs/dbraw/zinc/34/59/12/1019345912.db2.gz MEBMZMRTTQKSSA-ZAOIQFLMSA-N -1 3 307.393 3.774 20 0 DHADHM CC[C@@H](C)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000088484326 1019346334 /nfs/dbraw/zinc/34/63/34/1019346334.db2.gz PPUHMBOOBIYVBK-LLVKDONJSA-N -1 3 314.414 3.659 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc([C@H]2CCCO2)s1 ZINC000089867829 1019380930 /nfs/dbraw/zinc/38/09/30/1019380930.db2.gz LXNPJHAEDCSHKK-LLVKDONJSA-N -1 3 324.789 3.606 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1nc(-c2ccncc2)cs1 ZINC001212477369 1019393034 /nfs/dbraw/zinc/39/30/34/1019393034.db2.gz BJAODDQOWBFSBL-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM Cc1ccc(Br)c(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212477361 1019395034 /nfs/dbraw/zinc/39/50/34/1019395034.db2.gz BAKGRXOLXZFWOV-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CN(Cc1ccccc1F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000351489947 1019396032 /nfs/dbraw/zinc/39/60/32/1019396032.db2.gz JKLLQCYCGZFUQA-UHFFFAOYSA-N -1 3 309.340 3.957 20 0 DHADHM CC(=O)c1oc2cccnc2c1Nc1cc(F)cc(F)c1[O-] ZINC001212481701 1019427259 /nfs/dbraw/zinc/42/72/59/1019427259.db2.gz FIXJJTMHDCMZKK-UHFFFAOYSA-N -1 3 304.252 3.758 20 0 DHADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000477400875 1032834339 /nfs/dbraw/zinc/83/43/39/1032834339.db2.gz CXEOKEVECJUUGH-NBVRZTHBSA-N -1 3 302.377 3.862 20 0 DHADHM COc1cccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000351808916 1019504068 /nfs/dbraw/zinc/50/40/68/1019504068.db2.gz HGTFRYJYDNHBOU-UHFFFAOYSA-N -1 3 321.376 3.826 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC000094149842 1019610450 /nfs/dbraw/zinc/61/04/50/1019610450.db2.gz IUXJVPDORUSNMM-KRWDZBQOSA-N -1 3 309.409 3.584 20 0 DHADHM CC(C)Oc1ncc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000128580585 1019615892 /nfs/dbraw/zinc/61/58/92/1019615892.db2.gz QHQOEVGTMJKAPK-UHFFFAOYSA-N -1 3 324.739 3.619 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000096659159 1019618112 /nfs/dbraw/zinc/61/81/12/1019618112.db2.gz BIARKGLHSOKICM-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000096659257 1019618497 /nfs/dbraw/zinc/61/84/97/1019618497.db2.gz VJKVQSPBPJTBAG-UHFFFAOYSA-N -1 3 319.426 3.837 20 0 DHADHM CO[N-]C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000058550536 1019627516 /nfs/dbraw/zinc/62/75/16/1019627516.db2.gz SFPNWNPEYFRREA-UHFFFAOYSA-N -1 3 312.344 3.584 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cc(C(F)(F)F)ccn2)n1 ZINC000657273972 1019674712 /nfs/dbraw/zinc/67/47/12/1019674712.db2.gz BVZPNKZOCGVBEO-MRVPVSSYSA-N -1 3 315.320 3.758 20 0 DHADHM COc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000727354283 1019697475 /nfs/dbraw/zinc/69/74/75/1019697475.db2.gz MOHYYJDNHHNHNL-KHPPLWFESA-N -1 3 323.801 3.761 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1cccs1 ZINC000061205630 1019741816 /nfs/dbraw/zinc/74/18/16/1019741816.db2.gz VAHXHAHCOBGPLA-OAHLLOKOSA-N -1 3 324.405 3.567 20 0 DHADHM C[C@@H](C1CC1)n1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280909438 1019752357 /nfs/dbraw/zinc/75/23/57/1019752357.db2.gz NKSJBBDUANLOBD-LBPRGKRZSA-N -1 3 321.380 3.965 20 0 DHADHM CCC[C@H]1SCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000527455043 1019752598 /nfs/dbraw/zinc/75/25/98/1019752598.db2.gz OQJJLZXPJUAGBN-MRXNPFEDSA-N -1 3 301.411 3.861 20 0 DHADHM CCN(Cc1cccs1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468393591 1019775545 /nfs/dbraw/zinc/77/55/45/1019775545.db2.gz VAOYJTLGIZADAG-UHFFFAOYSA-N -1 3 321.417 3.964 20 0 DHADHM C[C@@H](c1ccccc1Br)N(C)Cc1ncccc1[O-] ZINC000685409744 1019799896 /nfs/dbraw/zinc/79/98/96/1019799896.db2.gz QCUBDSONUHPURZ-NSHDSACASA-N -1 3 321.218 3.743 20 0 DHADHM CC(C)Cn1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000352161710 1019851484 /nfs/dbraw/zinc/85/14/84/1019851484.db2.gz DHYSCMGOAOPNIC-UHFFFAOYSA-N -1 3 309.369 3.650 20 0 DHADHM CC1(C)CCC(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000389982774 1019906064 /nfs/dbraw/zinc/90/60/64/1019906064.db2.gz LBGIVKRRRHSZJF-KRWDZBQOSA-N -1 3 301.430 3.887 20 0 DHADHM Cc1nnc([N-]C(=O)c2csc(-c3ccccc3C)n2)s1 ZINC000066270375 1019942348 /nfs/dbraw/zinc/94/23/48/1019942348.db2.gz VQJGSKWDKHQFHA-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3[O-])[nH]c2c1 ZINC000067138903 1019973567 /nfs/dbraw/zinc/97/35/67/1019973567.db2.gz JWJBKPLPZZAELM-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM O=C(CCSCc1ccccn1)Nc1ccc(Cl)cc1[O-] ZINC000179640726 1019975839 /nfs/dbraw/zinc/97/58/39/1019975839.db2.gz FHFJZBSWOUORCX-UHFFFAOYSA-N -1 3 322.817 3.703 20 0 DHADHM CC[C@](C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000730790790 1020030332 /nfs/dbraw/zinc/03/03/32/1020030332.db2.gz RJSUNRCZTMOWAD-FQEVSTJZSA-N -1 3 320.392 3.583 20 0 DHADHM CC(C)(CCNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000648188892 1020071249 /nfs/dbraw/zinc/07/12/49/1020071249.db2.gz JOIJJGPQDXHHQN-UHFFFAOYSA-N -1 3 315.388 3.558 20 0 DHADHM CC(C)(C)c1nc(COc2ccc3c([O-])coc3c2)cs1 ZINC000642608481 1020252878 /nfs/dbraw/zinc/25/28/78/1020252878.db2.gz BYNAXHWBKIRFTR-UHFFFAOYSA-N -1 3 303.383 3.595 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(-c3ccccc3F)no2)c1[O-] ZINC000732830886 1020292558 /nfs/dbraw/zinc/29/25/58/1020292558.db2.gz XAXJKZQQCVLDNZ-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM CN(Cc1ccc(F)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000352787092 1020339836 /nfs/dbraw/zinc/33/98/36/1020339836.db2.gz MRUAJHDPZPOAOV-UHFFFAOYSA-N -1 3 309.340 3.957 20 0 DHADHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1CCCCCC1 ZINC001231091170 1020340317 /nfs/dbraw/zinc/34/03/17/1020340317.db2.gz RLPCRQUTUQONEG-UHFFFAOYSA-N -1 3 313.781 3.719 20 0 DHADHM CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192726612 1020374949 /nfs/dbraw/zinc/37/49/49/1020374949.db2.gz XLHKEXBNPJBDHX-DZGCQCFKSA-N -1 3 315.417 3.691 20 0 DHADHM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1OC ZINC000349313514 1020383263 /nfs/dbraw/zinc/38/32/63/1020383263.db2.gz ODWCPHPHRYUQHU-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c(C)c1 ZINC000055576443 1020451987 /nfs/dbraw/zinc/45/19/87/1020451987.db2.gz DBJSVJRZBWSWCT-UHFFFAOYSA-N -1 3 323.439 3.526 20 0 DHADHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(=O)c2ccccc2[n-]1 ZINC000673721264 1020459930 /nfs/dbraw/zinc/45/99/30/1020459930.db2.gz HPBFHNGEPNNOAT-RBSFLKMASA-N -1 3 324.424 3.617 20 0 DHADHM O=C(CC1CCC(c2ccccc2)CC1)[N-]OCc1ccccn1 ZINC001626091149 1020545512 /nfs/dbraw/zinc/54/55/12/1020545512.db2.gz MOEGNFVWIDQQEZ-UHFFFAOYSA-N -1 3 324.424 3.994 20 0 DHADHM O=C(CNc1ccccc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000673924136 1020552744 /nfs/dbraw/zinc/55/27/44/1020552744.db2.gz ADNLDCWCHXDWEO-UHFFFAOYSA-N -1 3 311.168 3.750 20 0 DHADHM Cc1cn2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2n1 ZINC000354041610 1020582775 /nfs/dbraw/zinc/58/27/75/1020582775.db2.gz CACCJQTTXYUBQB-UHFFFAOYSA-N -1 3 317.348 3.754 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)CC(F)F ZINC000413834439 1020635963 /nfs/dbraw/zinc/63/59/63/1020635963.db2.gz JQCMTHXHILIEHD-ZCFIWIBFSA-N -1 3 322.149 3.693 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1OC1CCC1 ZINC000674015931 1020638746 /nfs/dbraw/zinc/63/87/46/1020638746.db2.gz XXBIELMXQVSEHS-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000735040007 1020686655 /nfs/dbraw/zinc/68/66/55/1020686655.db2.gz IYRMKFHBGPCSJL-SECBINFHSA-N -1 3 306.332 3.759 20 0 DHADHM CCCCCC[C@@H](CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000735040007 1020686663 /nfs/dbraw/zinc/68/66/63/1020686663.db2.gz IYRMKFHBGPCSJL-SECBINFHSA-N -1 3 306.332 3.759 20 0 DHADHM O=c1nc(Cl)cc(N2CC3(CCCC3)c3cccc(F)c32)[n-]1 ZINC000858516230 1032930077 /nfs/dbraw/zinc/93/00/77/1032930077.db2.gz ZDBWGACSYXBVJB-UHFFFAOYSA-N -1 3 319.767 3.938 20 0 DHADHM CCN(C(=O)c1nnc2ccccc2c1[O-])c1cccc(C)c1C ZINC000735653060 1020759330 /nfs/dbraw/zinc/75/93/30/1020759330.db2.gz YGNSFWUAZCVAGN-UHFFFAOYSA-N -1 3 321.380 3.619 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000613111495 1020815236 /nfs/dbraw/zinc/81/52/36/1020815236.db2.gz LQGYTMPZINWDOK-UHFFFAOYSA-N -1 3 315.385 3.622 20 0 DHADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001211638371 1020822938 /nfs/dbraw/zinc/82/29/38/1020822938.db2.gz BEYSLORXUPIJEX-ZJUUUORDSA-N -1 3 322.257 3.708 20 0 DHADHM CC1(C)CC[C@@H](COC(=O)c2cccc3[n-]c(C(F)F)nc32)O1 ZINC000924079948 1020835051 /nfs/dbraw/zinc/83/50/51/1020835051.db2.gz ALQKJNGAWXBXMZ-VIFPVBQESA-N -1 3 324.327 3.615 20 0 DHADHM O=C(Cc1cccc2ccccc21)[N-]OC/C(Cl)=C/Cl ZINC000177947395 1020863568 /nfs/dbraw/zinc/86/35/68/1020863568.db2.gz YHFYIIHIYOESIT-LCYFTJDESA-N -1 3 310.180 3.749 20 0 DHADHM Cc1nc2c(C)cc(Nc3c(Cl)ccc([O-])c3F)cn2n1 ZINC001214556009 1020979210 /nfs/dbraw/zinc/97/92/10/1020979210.db2.gz GBHDGJKMJDUTBH-UHFFFAOYSA-N -1 3 306.728 3.588 20 0 DHADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(SC)ccc1[O-] ZINC000613522143 1021060270 /nfs/dbraw/zinc/06/02/70/1021060270.db2.gz VLAKQPVBQORIEH-MRVPVSSYSA-N -1 3 307.337 3.575 20 0 DHADHM CCC(=O)Nc1ccc(C)c(NCc2cc([O-])cc(F)c2)c1 ZINC000318550839 1021071187 /nfs/dbraw/zinc/07/11/87/1021071187.db2.gz HQGGCZSNLBDZOQ-UHFFFAOYSA-N -1 3 302.349 3.800 20 0 DHADHM Cc1cnc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)s1 ZINC000742122330 1021092499 /nfs/dbraw/zinc/09/24/99/1021092499.db2.gz SSQUBIXMZLWLRL-UHFFFAOYSA-N -1 3 316.760 3.513 20 0 DHADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000128285506 1021211836 /nfs/dbraw/zinc/21/18/36/1021211836.db2.gz PVKOAWQQTMKZLG-GFCCVEGCSA-N -1 3 317.360 3.763 20 0 DHADHM Cc1ccc2nc(C)c(C(=O)Nc3cccc([O-])c3F)cc2c1 ZINC000128284141 1021211975 /nfs/dbraw/zinc/21/19/75/1021211975.db2.gz CSKNISVXEBVXKG-UHFFFAOYSA-N -1 3 310.328 3.949 20 0 DHADHM COc1cc(CNC(=O)Nc2ccc(F)cc2)cc(Cl)c1[O-] ZINC001202361025 1021226227 /nfs/dbraw/zinc/22/62/27/1021226227.db2.gz VKZFFDLKUXLTFG-UHFFFAOYSA-N -1 3 324.739 3.515 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1[O-] ZINC001202375860 1021235068 /nfs/dbraw/zinc/23/50/68/1021235068.db2.gz HSFCTENLHMMWOG-UHFFFAOYSA-N -1 3 304.733 3.892 20 0 DHADHM Cc1ccc(-c2cc(C(=O)Nc3cccc([O-])c3F)on2)cc1 ZINC000128558700 1021285890 /nfs/dbraw/zinc/28/58/90/1021285890.db2.gz AJCBHHVHYRYXGI-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC000091991861 1021315040 /nfs/dbraw/zinc/31/50/40/1021315040.db2.gz RSTVJOCJZUXVIF-UHFFFAOYSA-N -1 3 300.333 3.666 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000337409891 1032973816 /nfs/dbraw/zinc/97/38/16/1032973816.db2.gz VMFKZPKQGJCUGX-WDEREUQCSA-N -1 3 323.179 3.836 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1c[nH]cc1-c1ccc(F)cc1 ZINC000129160922 1021444890 /nfs/dbraw/zinc/44/48/90/1021444890.db2.gz APCMYLKMLKLKHB-UHFFFAOYSA-N -1 3 314.291 3.918 20 0 DHADHM C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129413271 1021484511 /nfs/dbraw/zinc/48/45/11/1021484511.db2.gz FWIGFDHHQHWZFV-RNCFNFMXSA-N -1 3 302.201 3.679 20 0 DHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)/C=C\C(C)(C)C)c2)n1 ZINC000744216630 1021472824 /nfs/dbraw/zinc/47/28/24/1021472824.db2.gz BYLDPRBJADXLFP-HJWRWDBZSA-N -1 3 312.369 3.665 20 0 DHADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc([O-])c1F ZINC000129391637 1021478915 /nfs/dbraw/zinc/47/89/15/1021478915.db2.gz KTQUITZBPSOKET-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCC(C)(C)CC1 ZINC000129478831 1021495157 /nfs/dbraw/zinc/49/51/57/1021495157.db2.gz IRCSIWSPIPRUDW-UHFFFAOYSA-N -1 3 308.397 3.642 20 0 DHADHM CC[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000172521974 1021619434 /nfs/dbraw/zinc/61/94/34/1021619434.db2.gz IOTQQSGOEXOZGH-CQSZACIVSA-N -1 3 316.376 3.524 20 0 DHADHM Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000746057424 1021840097 /nfs/dbraw/zinc/84/00/97/1021840097.db2.gz IYNOEURIMNOIAQ-GFCCVEGCSA-N -1 3 324.336 3.669 20 0 DHADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1[O-] ZINC000556931023 1021953240 /nfs/dbraw/zinc/95/32/40/1021953240.db2.gz NDXMCJJPFMYZEC-GFCCVEGCSA-N -1 3 301.361 3.927 20 0 DHADHM CCc1ccc(O)c([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c1 ZINC000746368741 1022046030 /nfs/dbraw/zinc/04/60/30/1022046030.db2.gz ZUAQZDZOJQQLHB-KHPPLWFESA-N -1 3 317.410 3.676 20 0 DHADHM CCOc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001212577897 1022049352 /nfs/dbraw/zinc/04/93/52/1022049352.db2.gz BLMWRENVMYUXMN-UHFFFAOYSA-N -1 3 305.765 3.855 20 0 DHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc2c(c1)OCO2 ZINC000920163271 1022064729 /nfs/dbraw/zinc/06/47/29/1022064729.db2.gz STUDNYHTXNZAGG-SECBINFHSA-N -1 3 315.350 3.876 20 0 DHADHM C[C@H](CSCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000183337147 1022106697 /nfs/dbraw/zinc/10/66/97/1022106697.db2.gz KYGGSCJWMUTUAA-LLVKDONJSA-N -1 3 305.365 3.592 20 0 DHADHM O=C(NC1CCC(C2CCC2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000620468377 1022157839 /nfs/dbraw/zinc/15/78/39/1022157839.db2.gz BVEPFPNQJYXRMF-UHFFFAOYSA-N -1 3 324.424 3.617 20 0 DHADHM CCCCC[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000620566049 1022178903 /nfs/dbraw/zinc/17/89/03/1022178903.db2.gz DAIJRPLRYXAYDV-CQSZACIVSA-N -1 3 317.433 3.635 20 0 DHADHM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000852900650 1022185176 /nfs/dbraw/zinc/18/51/76/1022185176.db2.gz OLNMIJZDZKOCJM-INIZCTEOSA-N -1 3 310.397 3.569 20 0 DHADHM COc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000153546810 1022222204 /nfs/dbraw/zinc/22/22/04/1022222204.db2.gz HYHDMKNZUUULFQ-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000620680448 1022228442 /nfs/dbraw/zinc/22/84/42/1022228442.db2.gz ONXCPWFPPWMCPI-QGZVFWFLSA-N -1 3 313.372 3.576 20 0 DHADHM CCCCCc1cc(C(=O)Nc2c([O-])cccc2Cl)n[nH]1 ZINC000615321929 1022450267 /nfs/dbraw/zinc/45/02/67/1022450267.db2.gz LNGMSEAJRUOEPI-UHFFFAOYSA-N -1 3 307.781 3.754 20 0 DHADHM CCS(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591673 1022455087 /nfs/dbraw/zinc/45/50/87/1022455087.db2.gz YMQKJDGVEXQIGP-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM CC(=O)c1cccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1[O-] ZINC000854468258 1022476028 /nfs/dbraw/zinc/47/60/28/1022476028.db2.gz PSKWQWFGWHQQPY-SECBINFHSA-N -1 3 316.184 3.507 20 0 DHADHM O=C(NC1CC1)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592498 1022491203 /nfs/dbraw/zinc/49/12/03/1022491203.db2.gz SWIZVOKUIKBMSO-UHFFFAOYSA-N -1 3 302.761 3.681 20 0 DHADHM O=C(/C=C/c1nc2ccccc2s1)Nc1cc(F)ccc1[O-] ZINC000179650104 1022498255 /nfs/dbraw/zinc/49/82/55/1022498255.db2.gz ZSXLNWVPRIMAQB-BQYQJAHWSA-N -1 3 314.341 3.793 20 0 DHADHM CCO[N-]C(=O)C(CC)(CC)Cc1nc2ccccc2s1 ZINC000068063055 1022500346 /nfs/dbraw/zinc/50/03/46/1022500346.db2.gz CNPOARGGVUCKLL-UHFFFAOYSA-N -1 3 306.431 3.713 20 0 DHADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000854581959 1022500264 /nfs/dbraw/zinc/50/02/64/1022500264.db2.gz XATMBGYRYMEWLJ-HUUCEWRRSA-N -1 3 321.380 3.791 20 0 DHADHM COc1ccc2nc(Cl)cc(NCc3ncccc3[O-])c2c1 ZINC001169727364 1022513297 /nfs/dbraw/zinc/51/32/97/1022513297.db2.gz YIUXKZMTCBOHPH-UHFFFAOYSA-N -1 3 315.760 3.610 20 0 DHADHM Cc1cc(S(C)(=O)=O)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593968 1022514774 /nfs/dbraw/zinc/51/47/74/1022514774.db2.gz ODJBMIBSMKJVMG-UHFFFAOYSA-N -1 3 311.790 3.501 20 0 DHADHM [O-]c1cccnc1CNc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001169732821 1022528973 /nfs/dbraw/zinc/52/89/73/1022528973.db2.gz MJQDYNOWOGGOHL-UHFFFAOYSA-N -1 3 319.286 3.966 20 0 DHADHM O=c1cc(CNc2cc(Cl)cc(F)c2F)nc(C2CC2)[n-]1 ZINC000417039714 1022567917 /nfs/dbraw/zinc/56/79/17/1022567917.db2.gz XHRDFTJTIQMZNL-UHFFFAOYSA-N -1 3 311.719 3.603 20 0 DHADHM COc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000621173221 1022605383 /nfs/dbraw/zinc/60/53/83/1022605383.db2.gz DXQBBUBCLFNVKF-KRWDZBQOSA-N -1 3 311.381 3.624 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc2ccccc2c1 ZINC000159126471 1022690377 /nfs/dbraw/zinc/69/03/77/1022690377.db2.gz CCFXQBFCVNUMOS-UHFFFAOYSA-N -1 3 324.355 3.684 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCCC2)c1ccsc1 ZINC000417541132 1022773219 /nfs/dbraw/zinc/77/32/19/1022773219.db2.gz YAUONXNZXMIESF-QGZVFWFLSA-N -1 3 315.438 3.933 20 0 DHADHM COc1ccc([C@@H](C)CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184253930 1022796442 /nfs/dbraw/zinc/79/64/42/1022796442.db2.gz OHXUSQOGJLYRDN-ZDUSSCGKSA-N -1 3 317.360 3.576 20 0 DHADHM CCc1ccc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c([O-])c1 ZINC000651440428 1022805787 /nfs/dbraw/zinc/80/57/87/1022805787.db2.gz QJFBQRFFWWNYIA-GFCCVEGCSA-N -1 3 302.374 3.677 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2sccc2s1 ZINC000616994561 1022807087 /nfs/dbraw/zinc/80/70/87/1022807087.db2.gz ZEYXOIZECLUYOY-UHFFFAOYSA-N -1 3 316.367 3.593 20 0 DHADHM O=C1[N-]C(=O)C(=Cc2ccc(SC(F)(F)F)cc2)S1 ZINC000767897601 1022837878 /nfs/dbraw/zinc/83/78/78/1022837878.db2.gz AWDIVOONOARDTM-YVMONPNESA-N -1 3 305.302 3.622 20 0 DHADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617093254 1022844262 /nfs/dbraw/zinc/84/42/62/1022844262.db2.gz IYSVKHYZLOYAOJ-UHFFFAOYSA-N -1 3 322.434 3.799 20 0 DHADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000621893663 1022920710 /nfs/dbraw/zinc/92/07/10/1022920710.db2.gz QQNGJUFJKZJUBI-ZJUUUORDSA-N -1 3 301.308 3.672 20 0 DHADHM C[C@H](NCc1ccc([O-])c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000768221394 1022927677 /nfs/dbraw/zinc/92/76/77/1022927677.db2.gz AXBVOWDKEHHMIF-ZETCQYMHSA-N -1 3 320.311 3.857 20 0 DHADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000768221392 1022928721 /nfs/dbraw/zinc/92/87/21/1022928721.db2.gz AXBVOWDKEHHMIF-SSDOTTSWSA-N -1 3 320.311 3.857 20 0 DHADHM Cc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)o1 ZINC000768228428 1022931496 /nfs/dbraw/zinc/93/14/96/1022931496.db2.gz ZLMBBRAVRKCYEZ-UHFFFAOYSA-N -1 3 313.397 3.697 20 0 DHADHM Cc1nc(Nc2ccc(CNc3ccccc3)cc2)cc(=O)[n-]1 ZINC001212297641 1022945851 /nfs/dbraw/zinc/94/58/51/1022945851.db2.gz CKQXRVZJZLKZLF-UHFFFAOYSA-N -1 3 306.369 3.846 20 0 DHADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621988912 1022984098 /nfs/dbraw/zinc/98/40/98/1022984098.db2.gz QAEWCXOIENIKIT-MRVPVSSYSA-N -1 3 323.261 3.576 20 0 DHADHM O=C(Nc1ccc(O)cc1F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857482612 1023018780 /nfs/dbraw/zinc/01/87/80/1023018780.db2.gz QIHPJZLJQNJEKH-UHFFFAOYSA-N -1 3 315.222 3.508 20 0 DHADHM CCCO[N-]C(=O)CCCOc1cccc(Cl)c1Cl ZINC000857544034 1023033930 /nfs/dbraw/zinc/03/39/30/1023033930.db2.gz MVOAXKDULXPROW-UHFFFAOYSA-N -1 3 306.189 3.610 20 0 DHADHM CN(CCC(C)(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622121830 1023037825 /nfs/dbraw/zinc/03/78/25/1023037825.db2.gz PAHKGJPXKAMXQK-UHFFFAOYSA-N -1 3 303.324 3.919 20 0 DHADHM CCc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1CC ZINC000412279375 1023064156 /nfs/dbraw/zinc/06/41/56/1023064156.db2.gz AUYLBYUJYAEKCQ-UHFFFAOYSA-N -1 3 311.381 3.972 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ncco3)ccc2C)c1 ZINC000089223062 1023074445 /nfs/dbraw/zinc/07/44/45/1023074445.db2.gz OYRLKRBMQVNPSA-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C(Nc1ccc(F)cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622314764 1023112061 /nfs/dbraw/zinc/11/20/61/1023112061.db2.gz CURDFGXNFCIEFX-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM CCc1cccc(C(=O)N2CCCc3cc(OC)ccc32)c1[O-] ZINC000769653921 1023192227 /nfs/dbraw/zinc/19/22/27/1023192227.db2.gz PZUZGSRUFWKABZ-UHFFFAOYSA-N -1 3 311.381 3.556 20 0 DHADHM O=C([O-])C[C@H]1CCCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000769753840 1023202205 /nfs/dbraw/zinc/20/22/05/1023202205.db2.gz DIULEWSLVSMKQQ-GFCCVEGCSA-N -1 3 318.804 3.575 20 0 DHADHM CCc1cccc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1[O-] ZINC000769947954 1023243542 /nfs/dbraw/zinc/24/35/42/1023243542.db2.gz MWFMQTQXNYUGJI-ZDUSSCGKSA-N -1 3 311.381 3.691 20 0 DHADHM O=c1nc(-c2ccncn2)[n-]c2scc(-c3ccccc3)c21 ZINC000337656287 1033123765 /nfs/dbraw/zinc/12/37/65/1033123765.db2.gz IAUTYGXCGFSVNS-UHFFFAOYSA-N -1 3 306.350 3.521 20 0 DHADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C)cc1 ZINC000337694542 1033138966 /nfs/dbraw/zinc/13/89/66/1033138966.db2.gz PFSZTOMHAXAPMB-INIZCTEOSA-N -1 3 320.392 3.718 20 0 DHADHM O=C(OCc1ncc(Cl)s1)c1cccc(Cl)c1[O-] ZINC000772247150 1023538540 /nfs/dbraw/zinc/53/85/40/1023538540.db2.gz QTMUSCKBLZQWHL-UHFFFAOYSA-N -1 3 304.154 3.513 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(C(F)F)c2)c1[O-] ZINC000647711505 1023609280 /nfs/dbraw/zinc/60/92/80/1023609280.db2.gz RRXKQMROACXKNH-UHFFFAOYSA-N -1 3 305.280 3.785 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000786030678 1023652544 /nfs/dbraw/zinc/65/25/44/1023652544.db2.gz VTDFBJJZWDRNTH-SECBINFHSA-N -1 3 317.728 3.843 20 0 DHADHM Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000538742076 1033159731 /nfs/dbraw/zinc/15/97/31/1033159731.db2.gz MVNQJHRAJKRRAV-UHFFFAOYSA-N -1 3 323.352 3.620 20 0 DHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000049375336 1023769659 /nfs/dbraw/zinc/76/96/59/1023769659.db2.gz CHJWEXRVLFKOMB-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CC(C)[C@H](C)N(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652389215 1023835189 /nfs/dbraw/zinc/83/51/89/1023835189.db2.gz DKOHMUXNVXKREZ-JTQLQIEISA-N -1 3 314.223 3.624 20 0 DHADHM O=C(Nc1ccc2c(c1)OCO2)c1cc2sccc2c([O-])c1 ZINC000788261999 1023867146 /nfs/dbraw/zinc/86/71/46/1023867146.db2.gz HKHOBRNSEUKXSY-UHFFFAOYSA-N -1 3 313.334 3.588 20 0 DHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2CCC)CC)n1 ZINC000663225775 1023946983 /nfs/dbraw/zinc/94/69/83/1023946983.db2.gz HFVZRFFRCYPXRO-ACCUITESSA-N -1 3 300.406 3.692 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1 ZINC000538761059 1033176963 /nfs/dbraw/zinc/17/69/63/1033176963.db2.gz GCJLUUUSDUYXRB-OAHLLOKOSA-N -1 3 311.425 3.966 20 0 DHADHM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000531133648 1024022511 /nfs/dbraw/zinc/02/25/11/1024022511.db2.gz OPGOZQDRCIGNFQ-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268157630 1024078218 /nfs/dbraw/zinc/07/82/18/1024078218.db2.gz HIJYHVQCFCGDKH-AWEZNQCLSA-N -1 3 312.413 3.981 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1cnccc1OC(C)(C)C ZINC000626247777 1024086125 /nfs/dbraw/zinc/08/61/25/1024086125.db2.gz MFFYYYULKRJJLP-UHFFFAOYSA-N -1 3 300.358 3.525 20 0 DHADHM CC(C)CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCC1 ZINC000268258753 1024091249 /nfs/dbraw/zinc/09/12/49/1024091249.db2.gz QZSVABWVDYVUHW-UHFFFAOYSA-N -1 3 312.413 3.887 20 0 DHADHM CC(C)(CCC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000162933607 1024284602 /nfs/dbraw/zinc/28/46/02/1024284602.db2.gz RRFKMROFLUQIMH-UHFFFAOYSA-N -1 3 303.324 3.745 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCCSCc2ccccc2)cc1 ZINC000790429618 1024302619 /nfs/dbraw/zinc/30/26/19/1024302619.db2.gz GVLCKAGHENOZPF-UHFFFAOYSA-N -1 3 315.438 3.519 20 0 DHADHM Cc1cccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000746938562 1024350149 /nfs/dbraw/zinc/35/01/49/1024350149.db2.gz YOWDSNXKHJLMFM-UHFFFAOYSA-N -1 3 323.314 3.804 20 0 DHADHM FC(F)c1nnc([N-][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000432336712 1024511083 /nfs/dbraw/zinc/51/10/83/1024511083.db2.gz PKMXHVGUCLCNRG-AWEZNQCLSA-N -1 3 315.323 4.403 20 0 DHADHM O=C(Nc1cnn(C2CCC2)c1)c1cc2sccc2c([O-])c1 ZINC000889055743 1024584857 /nfs/dbraw/zinc/58/48/57/1024584857.db2.gz PQCZSVSCPGRLAI-UHFFFAOYSA-N -1 3 313.382 3.781 20 0 DHADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000316460802 1024586407 /nfs/dbraw/zinc/58/64/07/1024586407.db2.gz MRCJIZURCBMDAY-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2ccco2)cc1F ZINC000278938959 1024617981 /nfs/dbraw/zinc/61/79/81/1024617981.db2.gz NJBARPCWOJHIDB-HNNXBMFYSA-N -1 3 320.320 3.665 20 0 DHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2ccco2)cc1F ZINC000278938959 1024617988 /nfs/dbraw/zinc/61/79/88/1024617988.db2.gz NJBARPCWOJHIDB-HNNXBMFYSA-N -1 3 320.320 3.665 20 0 DHADHM Cc1csc(CCCC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000283378634 1024652716 /nfs/dbraw/zinc/65/27/16/1024652716.db2.gz JZAPRWLHWUBNHU-UHFFFAOYSA-N -1 3 310.806 3.772 20 0 DHADHM Cc1noc(C)c1CCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792214033 1024655266 /nfs/dbraw/zinc/65/52/66/1024655266.db2.gz GJXHHVLJLRVSHW-UHFFFAOYSA-N -1 3 324.380 3.513 20 0 DHADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc([O-])cc(F)c1 ZINC000349081308 1024672868 /nfs/dbraw/zinc/67/28/68/1024672868.db2.gz JTHMKWNVMBDMBT-HNNXBMFYSA-N -1 3 320.751 3.771 20 0 DHADHM Cc1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC000792478730 1024673423 /nfs/dbraw/zinc/67/34/23/1024673423.db2.gz PDKSFMVIVJDANX-UHFFFAOYSA-N -1 3 306.365 3.521 20 0 DHADHM COc1ccc(C(=O)NC(C)(C)c2ccc(Cl)cc2)c([O-])c1 ZINC001157703593 1024692828 /nfs/dbraw/zinc/69/28/28/1024692828.db2.gz QDNGNKYXECAJFF-UHFFFAOYSA-N -1 3 319.788 3.719 20 0 DHADHM CC(=O)Nc1cccc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000114451962 1024817302 /nfs/dbraw/zinc/81/73/02/1024817302.db2.gz GEZFXLVDFVHWSE-UHFFFAOYSA-N -1 3 318.417 3.553 20 0 DHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ccco1 ZINC000001356223 1024843215 /nfs/dbraw/zinc/84/32/15/1024843215.db2.gz AGEXCBWEJZUFCZ-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM Cc1ccc(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)c([O-])c1 ZINC001299437107 1024928999 /nfs/dbraw/zinc/92/89/99/1024928999.db2.gz ADYBKIUIELFGQT-HXUWFJFHSA-N -1 3 309.409 3.842 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1nc2cnccc2s1 ZINC001299451747 1024938471 /nfs/dbraw/zinc/93/84/71/1024938471.db2.gz HADKVTWNPFSDJC-UHFFFAOYSA-N -1 3 315.423 3.974 20 0 DHADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000320068808 1024947952 /nfs/dbraw/zinc/94/79/52/1024947952.db2.gz UXCUAXGDCKYNSS-UHFFFAOYSA-N -1 3 318.373 3.725 20 0 DHADHM O=C([O-])c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000263386263 1024957402 /nfs/dbraw/zinc/95/74/02/1024957402.db2.gz CWJXXPQCCQJOFC-MRXNPFEDSA-N -1 3 315.344 3.527 20 0 DHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000320085519 1024960074 /nfs/dbraw/zinc/96/00/74/1024960074.db2.gz CGWRPXRABFEKRO-GFCCVEGCSA-N -1 3 315.369 3.830 20 0 DHADHM CCc1ccc(-c2ccc(-c3noc(-c4cnn[n-]4)n3)cc2)cc1 ZINC001212799124 1024981823 /nfs/dbraw/zinc/98/18/23/1024981823.db2.gz KERLWJUDDPLVHR-UHFFFAOYSA-N -1 3 317.352 3.751 20 0 DHADHM CCc1ccc(-c2ccc(-c3noc(-c4c[n-]nn4)n3)cc2)cc1 ZINC001212799124 1024981832 /nfs/dbraw/zinc/98/18/32/1024981832.db2.gz KERLWJUDDPLVHR-UHFFFAOYSA-N -1 3 317.352 3.751 20 0 DHADHM CCC(C)(C)CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000436203717 1025094778 /nfs/dbraw/zinc/09/47/78/1025094778.db2.gz PIJZGUDKJLIDTF-UHFFFAOYSA-N -1 3 310.463 3.982 20 0 DHADHM Cc1nc(C(=O)[N-]c2c(C)noc2C)c(-c2ccccc2)s1 ZINC000353509086 1025095012 /nfs/dbraw/zinc/09/50/12/1025095012.db2.gz YPVLAYGITNTILH-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM Cc1ccc(C(C)C)c(OCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000794290963 1025250159 /nfs/dbraw/zinc/25/01/59/1025250159.db2.gz PSCMMPRPEBDYOL-XBXARRHUSA-N -1 3 311.809 3.688 20 0 DHADHM Cc1cccn2cc(COC(=O)c3cc(Cl)c(Cl)[n-]3)nc12 ZINC000928967302 1025316265 /nfs/dbraw/zinc/31/62/65/1025316265.db2.gz UGBKXTRRWUCPRX-UHFFFAOYSA-N -1 3 324.167 3.635 20 0 DHADHM CC(=O)c1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1[O-] ZINC000663815258 1025337858 /nfs/dbraw/zinc/33/78/58/1025337858.db2.gz IGSRUIZTOBHBDB-UHFFFAOYSA-N -1 3 315.413 3.780 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000048748802 1025491646 /nfs/dbraw/zinc/49/16/46/1025491646.db2.gz ORVLQRUWMCDDTJ-UHFFFAOYSA-N -1 3 301.824 3.803 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000408410033 1025536972 /nfs/dbraw/zinc/53/69/72/1025536972.db2.gz IJSTWAFFCJKCDC-OAHLLOKOSA-N -1 3 317.429 3.737 20 0 DHADHM Cc1cccc(C)c1[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000355159646 1025620037 /nfs/dbraw/zinc/62/00/37/1025620037.db2.gz HNOSEGYXNFMFBF-AWEZNQCLSA-N -1 3 320.392 3.636 20 0 DHADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1nc(C2CCCCC2)no1 ZINC000893975409 1025632971 /nfs/dbraw/zinc/63/29/71/1025632971.db2.gz DVKHGGMCVAXPSL-LLVKDONJSA-N -1 3 319.380 3.813 20 0 DHADHM Cc1ccc([O-])c(CN(C)[C@H](c2ccccc2)c2ccccn2)n1 ZINC000130924990 1025674081 /nfs/dbraw/zinc/67/40/81/1025674081.db2.gz GUNBSGNXZOWFKT-HXUWFJFHSA-N -1 3 319.408 3.712 20 0 DHADHM CCC[C@H](C(=O)NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000614254461 1026000057 /nfs/dbraw/zinc/00/00/57/1026000057.db2.gz IDONMVOZADABHF-AWEZNQCLSA-N -1 3 318.804 3.641 20 0 DHADHM COc1ccc2cc(NC(=O)c3c([O-])cccc3O)ccc2c1 ZINC000807676220 1026103084 /nfs/dbraw/zinc/10/30/84/1026103084.db2.gz MJGJOIKCOYOQDC-UHFFFAOYSA-N -1 3 309.321 3.512 20 0 DHADHM Cc1cc([O-])c(I)c(OC2CCCC2)c1 ZINC001225511817 1026471376 /nfs/dbraw/zinc/47/13/76/1026471376.db2.gz VBBYALGEGRGGQF-UHFFFAOYSA-N -1 3 318.154 3.627 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C ZINC000810053828 1026670521 /nfs/dbraw/zinc/67/05/21/1026670521.db2.gz WIIALZQQVGUFIL-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CC(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccn1 ZINC000810423840 1026759170 /nfs/dbraw/zinc/75/91/70/1026759170.db2.gz HBJLBSIRMLSQFU-OAHLLOKOSA-N -1 3 304.777 3.568 20 0 DHADHM CC[C@@H]1C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)CCO1 ZINC000810661238 1026829842 /nfs/dbraw/zinc/82/98/42/1026829842.db2.gz STJDFWDJCALBMF-NXEZZACHSA-N -1 3 313.806 3.997 20 0 DHADHM CC1(C)CC[C@@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)O1 ZINC000810714642 1026831380 /nfs/dbraw/zinc/83/13/80/1026831380.db2.gz KFKWAHKGRWHBMW-VIFPVBQESA-N -1 3 313.806 3.997 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](CC(F)(F)F)C2)c1F ZINC000421382274 1026974161 /nfs/dbraw/zinc/97/41/61/1026974161.db2.gz BVHZHJZETXROAB-VIFPVBQESA-N -1 3 309.278 3.835 20 0 DHADHM CCCOC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000811836642 1027096537 /nfs/dbraw/zinc/09/65/37/1027096537.db2.gz GYOSYAOAKMYPIR-UHFFFAOYSA-N -1 3 321.323 3.849 20 0 DHADHM CCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCC1 ZINC000362240989 1027107926 /nfs/dbraw/zinc/10/79/26/1027107926.db2.gz YSLBAVNNDMZZCW-UHFFFAOYSA-N -1 3 310.357 3.737 20 0 DHADHM Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(C)o1 ZINC000362245156 1027110725 /nfs/dbraw/zinc/11/07/25/1027110725.db2.gz QBBRDEVJASNOGH-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(C)o1 ZINC000362245156 1027110730 /nfs/dbraw/zinc/11/07/30/1027110730.db2.gz QBBRDEVJASNOGH-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM O=C1OCCN1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000156764139 1027158118 /nfs/dbraw/zinc/15/81/18/1027158118.db2.gz NXKDBWWPADZDGV-UHFFFAOYSA-N -1 3 318.760 3.614 20 0 DHADHM CCc1c(C)sc2[nH]c(-c3cc([O-])cc(F)c3)nc(=O)c12 ZINC000572202693 1027183788 /nfs/dbraw/zinc/18/37/88/1027183788.db2.gz VILXPMSNXXOSTL-UHFFFAOYSA-N -1 3 304.346 3.779 20 0 DHADHM Cc1cc(C)c(O)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001170663020 1027187239 /nfs/dbraw/zinc/18/72/39/1027187239.db2.gz QGIUGSKMEMQHEA-UHFFFAOYSA-N -1 3 311.381 3.846 20 0 DHADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1cc(F)cc(F)c1 ZINC000572519777 1027210811 /nfs/dbraw/zinc/21/08/11/1027210811.db2.gz MGMWHJHCVKKZRG-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OC[C@@H]1C[C@H]1c1ccccc1 ZINC000812304329 1027238899 /nfs/dbraw/zinc/23/88/99/1027238899.db2.gz MKNXDDRMZKXGIW-OALUTQOASA-N -1 3 309.409 3.861 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(C2CC2)oc1C1CC1 ZINC000931796310 1027258016 /nfs/dbraw/zinc/25/80/16/1027258016.db2.gz JCSWLMCEZYAKAH-UHFFFAOYSA-N -1 3 324.340 3.665 20 0 DHADHM O=C(CCCOc1cccc2ccccc21)[N-]OC/C=C/Cl ZINC000812405872 1027284555 /nfs/dbraw/zinc/28/45/55/1027284555.db2.gz JACGDQRDSVPGMD-VZUCSPMQSA-N -1 3 319.788 3.799 20 0 DHADHM O=C(CCSCc1ccccn1)Nc1c([O-])cccc1Cl ZINC000574084222 1027357502 /nfs/dbraw/zinc/35/75/02/1027357502.db2.gz LUVZUVXCAFQTOP-UHFFFAOYSA-N -1 3 322.817 3.703 20 0 DHADHM CCc1cccc(C(=O)N2CCC(C)=C(c3ccco3)C2)c1[O-] ZINC000574341042 1027382951 /nfs/dbraw/zinc/38/29/51/1027382951.db2.gz HHSGYUWEPSSCOZ-UHFFFAOYSA-N -1 3 311.381 3.867 20 0 DHADHM C[C@H](CC(=O)[N-]OC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000812792779 1027410129 /nfs/dbraw/zinc/41/01/29/1027410129.db2.gz HXFRZXHCUGWQMU-SNVBAGLBSA-N -1 3 301.308 3.799 20 0 DHADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)[N-]OC1CCC1 ZINC000812793041 1027421441 /nfs/dbraw/zinc/42/14/41/1027421441.db2.gz MTWTZXXVOPATCG-UHFFFAOYSA-N -1 3 323.392 3.917 20 0 DHADHM CCc1cccc(C(=O)N(Cc2ccc(Cl)cc2)OC)c1[O-] ZINC000812797329 1027424713 /nfs/dbraw/zinc/42/47/13/1027424713.db2.gz BXBASSACDBWJCJ-UHFFFAOYSA-N -1 3 319.788 3.812 20 0 DHADHM COc1cc(C(=O)N(CC(C)C)CC(C)(C)C)cc(OC)c1[O-] ZINC000575795346 1027503259 /nfs/dbraw/zinc/50/32/59/1027503259.db2.gz SOWBUPXRHYYAKD-UHFFFAOYSA-N -1 3 323.433 3.554 20 0 DHADHM CC(C)(C)OCc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000932536119 1027529501 /nfs/dbraw/zinc/52/95/01/1027529501.db2.gz JHFBKGDZYJRBAU-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM CC(C)(C)OCc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000932536119 1027529506 /nfs/dbraw/zinc/52/95/06/1027529506.db2.gz JHFBKGDZYJRBAU-HNNXBMFYSA-N -1 3 322.405 3.581 20 0 DHADHM O=S(=O)([N-]c1ccccc1OCC(F)F)C1=CCCCC1 ZINC000296102693 1027542653 /nfs/dbraw/zinc/54/26/53/1027542653.db2.gz XJJOMJBFKORPEJ-UHFFFAOYSA-N -1 3 317.357 3.530 20 0 DHADHM O=C(OCc1ccc2c(c1)COC2)c1cc(F)cc(Cl)c1[O-] ZINC000778125756 1027614036 /nfs/dbraw/zinc/61/40/36/1027614036.db2.gz FVWGYVSYEBVUMJ-UHFFFAOYSA-N -1 3 322.719 3.572 20 0 DHADHM Cn1cc([N-]S(=O)(=O)C2=CCCCC2)c(C2CCCCC2)n1 ZINC000296868447 1027747298 /nfs/dbraw/zinc/74/72/98/1027747298.db2.gz ZKXRSMOCQGIDHE-UHFFFAOYSA-N -1 3 323.462 3.667 20 0 DHADHM O=C1N[C@H](c2ccc([O-])c(F)c2)Nc2c3ccccc3sc21 ZINC000159200683 1027752940 /nfs/dbraw/zinc/75/29/40/1027752940.db2.gz PNXDOFPANWDJNB-OAHLLOKOSA-N -1 3 314.341 3.600 20 0 DHADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000116189799 1027775187 /nfs/dbraw/zinc/77/51/87/1027775187.db2.gz HAYFWBLRRIQLIY-LBPRGKRZSA-N -1 3 310.357 3.505 20 0 DHADHM CC1(C)Cc2cccc(NCc3c(F)ccc([O-])c3F)c2O1 ZINC000577489949 1027785406 /nfs/dbraw/zinc/78/54/06/1027785406.db2.gz AWXBHQCZQJYBER-UHFFFAOYSA-N -1 3 305.324 3.996 20 0 DHADHM CC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000527634200 1027796281 /nfs/dbraw/zinc/79/62/81/1027796281.db2.gz CKRBTQBWEFOFCD-GFCCVEGCSA-N -1 3 312.207 3.559 20 0 DHADHM C[C@H](N(C)C(=O)c1cc([O-])cc(Br)c1)C(C)(C)C ZINC000527830398 1027909787 /nfs/dbraw/zinc/90/97/87/1027909787.db2.gz BJSLRNASXHHXAS-VIFPVBQESA-N -1 3 314.223 3.661 20 0 DHADHM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448657836 1027948505 /nfs/dbraw/zinc/94/85/05/1027948505.db2.gz ANJZLXOGCDCXNW-QGZVFWFLSA-N -1 3 313.372 3.746 20 0 DHADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000814253265 1027980772 /nfs/dbraw/zinc/98/07/72/1027980772.db2.gz FNTHSBVNSKAFMW-NSHDSACASA-N -1 3 301.773 3.805 20 0 DHADHM Cc1ccccc1[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)C ZINC000448970844 1028219451 /nfs/dbraw/zinc/21/94/51/1028219451.db2.gz RPIDLTPWLJCZMP-LJQANCHMSA-N -1 3 315.388 3.896 20 0 DHADHM CCN(C(=O)c1ccc(C(=O)OC)[n-]1)c1cccc2ccccc21 ZINC000578953913 1028284018 /nfs/dbraw/zinc/28/40/18/1028284018.db2.gz NQUGTPPWYYKADA-UHFFFAOYSA-N -1 3 322.364 3.621 20 0 DHADHM CCN(Cc1nc2cc(C(=O)[O-])ccc2n1CC)C1CCCC1 ZINC000564218330 1028364532 /nfs/dbraw/zinc/36/45/32/1028364532.db2.gz UVHJMMMSUFXXED-UHFFFAOYSA-N -1 3 315.417 3.519 20 0 DHADHM O=C(CCSc1ccccn1)Nc1c([O-])cccc1Cl ZINC000564399850 1028430886 /nfs/dbraw/zinc/43/08/86/1028430886.db2.gz VPXDMPNWQIWOAI-UHFFFAOYSA-N -1 3 308.790 3.562 20 0 DHADHM Cc1ccc([C@@H](NCc2nc(C)ccc2[O-])c2ccccn2)cc1 ZINC000369544913 1028499694 /nfs/dbraw/zinc/49/96/94/1028499694.db2.gz BCCYUGKAQUFDDR-HXUWFJFHSA-N -1 3 319.408 3.678 20 0 DHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000188484018 1028514316 /nfs/dbraw/zinc/51/43/16/1028514316.db2.gz FIHMTTKLHSLATM-UHFFFAOYSA-N -1 3 319.788 3.802 20 0 DHADHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cc([O-])ccc1Cl ZINC000815751795 1028615391 /nfs/dbraw/zinc/61/53/91/1028615391.db2.gz OMKHYCGDCUSMCL-NSHDSACASA-N -1 3 317.772 3.782 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000626625331 1028623461 /nfs/dbraw/zinc/62/34/61/1028623461.db2.gz CARPSKXLWJVNNN-LLVKDONJSA-N -1 3 301.308 3.504 20 0 DHADHM CC(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCCCC1 ZINC000815892586 1028649036 /nfs/dbraw/zinc/64/90/36/1028649036.db2.gz VVJRSOIADTZQAF-UHFFFAOYSA-N -1 3 303.299 3.896 20 0 DHADHM O=C(Nc1ccccc1SC(F)F)c1cccc2n[n-]nc21 ZINC000189652795 1028649365 /nfs/dbraw/zinc/64/93/65/1028649365.db2.gz PXTIHCSWOHASTA-UHFFFAOYSA-N -1 3 320.324 3.525 20 0 DHADHM CCC[C@@H](C(=O)NCc1ncccc1[O-])c1cccc(Cl)c1 ZINC000626738163 1028661758 /nfs/dbraw/zinc/66/17/58/1028661758.db2.gz LZSQVSBOJRFSEK-CQSZACIVSA-N -1 3 318.804 3.641 20 0 DHADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)c(C)c(C)c1O ZINC000816167865 1028750447 /nfs/dbraw/zinc/75/04/47/1028750447.db2.gz FKEAZKVSAZODGM-UHFFFAOYSA-N -1 3 305.761 3.929 20 0 DHADHM CCCC[C@H](C)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000627416041 1028763115 /nfs/dbraw/zinc/76/31/15/1028763115.db2.gz JRNZFYBLBKFZKQ-JTQLQIEISA-N -1 3 314.223 3.805 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000627606522 1028782979 /nfs/dbraw/zinc/78/29/79/1028782979.db2.gz MIXOLIGFYWIPAK-GHMZBOCLSA-N -1 3 301.308 3.504 20 0 DHADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)Cc1cccc(F)c1 ZINC000627724481 1028806780 /nfs/dbraw/zinc/80/67/80/1028806780.db2.gz QMAXPIZSKWNZJL-CYBMUJFWSA-N -1 3 301.361 3.543 20 0 DHADHM Cc1nsc(C)c1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000816340508 1028810158 /nfs/dbraw/zinc/81/01/58/1028810158.db2.gz ILSGEOLIIKVUCP-UHFFFAOYSA-N -1 3 305.186 3.752 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001135566207 1028863968 /nfs/dbraw/zinc/86/39/68/1028863968.db2.gz VCZJDQIJTWEYPH-UHFFFAOYSA-N -1 3 313.353 3.671 20 0 DHADHM O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC001135566361 1028865693 /nfs/dbraw/zinc/86/56/93/1028865693.db2.gz XYHRWKIZZLWVOT-UHFFFAOYSA-N -1 3 324.167 3.619 20 0 DHADHM C[C@]12CCN(Cc3c(F)ccc([O-])c3F)C[C@H]1C2(Cl)Cl ZINC000816603871 1028960701 /nfs/dbraw/zinc/96/07/01/1028960701.db2.gz RNHDHFIPBPRFML-YPMHNXCESA-N -1 3 322.182 3.686 20 0 DHADHM COc1ccc(-c2cc(Cl)c([O-])cc2F)cc1CN(C)C ZINC001245672606 1028988835 /nfs/dbraw/zinc/98/88/35/1028988835.db2.gz YDKHLEADTMTWFX-UHFFFAOYSA-N -1 3 309.768 3.922 20 0 DHADHM Cc1oc([C@@H](C)N(C)CCOc2ccc(C)cc2)cc1C(=O)[O-] ZINC000568059671 1028998754 /nfs/dbraw/zinc/99/87/54/1028998754.db2.gz IKGKQCFYARZOII-CYBMUJFWSA-N -1 3 317.385 3.666 20 0 DHADHM C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@H]1C(=O)[O-] ZINC000300426510 1029115652 /nfs/dbraw/zinc/11/56/52/1029115652.db2.gz GLFDBMNVUYQHCD-NOZJJQNGSA-N -1 3 302.201 3.679 20 0 DHADHM COc1cccc(CC2(C(=O)[N-]OCC3CC3)CCCCC2)c1 ZINC000817330330 1029128909 /nfs/dbraw/zinc/12/89/09/1029128909.db2.gz MGCHRCDKHBQKOT-UHFFFAOYSA-N -1 3 317.429 3.646 20 0 DHADHM O=C([N-]OCC1CC1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000817334686 1029132080 /nfs/dbraw/zinc/13/20/80/1029132080.db2.gz OLKXFJKSBGSMMN-AVJIGQEQSA-N -1 3 317.351 3.593 20 0 DHADHM CC(C)(CC(=O)[N-]OCCC1CC1)CC(=O)c1ccccc1 ZINC000817388028 1029142279 /nfs/dbraw/zinc/14/22/79/1029142279.db2.gz NZYTZSTYFAAALJ-UHFFFAOYSA-N -1 3 303.402 3.524 20 0 DHADHM O=C(CCSc1nc2ccccc2s1)[N-]OCCC1CC1 ZINC000817398970 1029146780 /nfs/dbraw/zinc/14/67/80/1029146780.db2.gz ACTPZDJXWBBJRW-UHFFFAOYSA-N -1 3 322.455 3.626 20 0 DHADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)nn1C(C)C ZINC000817702619 1029230680 /nfs/dbraw/zinc/23/06/80/1029230680.db2.gz TXHYGXPNZGFLQN-UHFFFAOYSA-N -1 3 315.398 3.945 20 0 DHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000155571547 1029255403 /nfs/dbraw/zinc/25/54/03/1029255403.db2.gz PVIXSVWOGURNDM-GOSISDBHSA-N -1 3 324.380 3.838 20 0 DHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000155571547 1029255418 /nfs/dbraw/zinc/25/54/18/1029255418.db2.gz PVIXSVWOGURNDM-GOSISDBHSA-N -1 3 324.380 3.838 20 0 DHADHM CCc1nnc([N-][C@@H](c2ccccc2)C(F)(F)F)nc1CC ZINC001170881779 1029265557 /nfs/dbraw/zinc/26/55/57/1029265557.db2.gz VVGQPUATSAXRFT-ZDUSSCGKSA-N -1 3 310.323 3.712 20 0 DHADHM Nc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)c([O-])c1 ZINC000817916190 1029276343 /nfs/dbraw/zinc/27/63/43/1029276343.db2.gz COWXLMALMYXBEH-UHFFFAOYSA-N -1 3 324.424 3.950 20 0 DHADHM Nc1ccc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)c([O-])c1 ZINC000817997802 1029305386 /nfs/dbraw/zinc/30/53/86/1029305386.db2.gz XNECHCNVZOJILK-KRWDZBQOSA-N -1 3 324.424 3.602 20 0 DHADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000078234806 1029306673 /nfs/dbraw/zinc/30/66/73/1029306673.db2.gz QJIZEXKBRVQDHI-UHFFFAOYSA-N -1 3 324.833 3.833 20 0 DHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](C)C1(F)F ZINC000629364841 1029309624 /nfs/dbraw/zinc/30/96/24/1029309624.db2.gz PCYHCLPPAFWFDV-CWSCBRNRSA-N -1 3 317.763 3.689 20 0 DHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000629373466 1029317532 /nfs/dbraw/zinc/31/75/32/1029317532.db2.gz MZBQZYLTKNGIAV-GZBFAFLISA-N -1 3 311.784 3.554 20 0 DHADHM O=C(CCc1ccc(Cl)c(F)c1)[N-]OCc1ccccc1 ZINC001136108737 1029330770 /nfs/dbraw/zinc/33/07/70/1029330770.db2.gz ZTIJKJDGRDRFNW-UHFFFAOYSA-N -1 3 307.752 3.660 20 0 DHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412217535 1029364972 /nfs/dbraw/zinc/36/49/72/1029364972.db2.gz XXWMDBLCJCGOOP-WBMJQRKESA-N -1 3 303.402 3.636 20 0 DHADHM CC(C)(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)s1 ZINC000570649793 1029400912 /nfs/dbraw/zinc/40/09/12/1029400912.db2.gz PVEALBVQTOAQDR-CQSZACIVSA-N -1 3 318.442 3.746 20 0 DHADHM CCN(Cc1ccccc1F)C(=O)c1cc(SC)ccc1[O-] ZINC001136184697 1029478352 /nfs/dbraw/zinc/47/83/52/1029478352.db2.gz AIQPFGTYJTVKQG-UHFFFAOYSA-N -1 3 319.401 3.916 20 0 DHADHM C[C@@H]1C[C@@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000303133972 1029593057 /nfs/dbraw/zinc/59/30/57/1029593057.db2.gz CLCVKLSTHXEHGV-BDAKNGLRSA-N -1 3 318.343 3.615 20 0 DHADHM C[C@@H]1C[C@@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000303133972 1029593063 /nfs/dbraw/zinc/59/30/63/1029593063.db2.gz CLCVKLSTHXEHGV-BDAKNGLRSA-N -1 3 318.343 3.615 20 0 DHADHM CCc1c([N-]C(=O)c2sccc2F)onc1C(F)(F)F ZINC000450725838 1029637117 /nfs/dbraw/zinc/63/71/17/1029637117.db2.gz DXURPRDHURQZRJ-UHFFFAOYSA-N -1 3 308.256 3.709 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc(Cl)c(Cl)[nH]1 ZINC000820509125 1029738183 /nfs/dbraw/zinc/73/81/83/1029738183.db2.gz AOSCYOIBDLMIGG-UHFFFAOYSA-N -1 3 305.548 3.933 20 0 DHADHM CC(C)[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000530333035 1029815696 /nfs/dbraw/zinc/81/56/96/1029815696.db2.gz HAINXNKFWJPIOW-INIZCTEOSA-N -1 3 307.409 3.891 20 0 DHADHM CC[C@H](C)CO[N-]C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000794855475 1029947669 /nfs/dbraw/zinc/94/76/69/1029947669.db2.gz WHSFUKSUNONTIO-NSHDSACASA-N -1 3 303.324 3.732 20 0 DHADHM CO[C@H](C)c1nc(CN[C@H](C)c2cc([O-])cc(F)c2)cs1 ZINC000925237788 1029995771 /nfs/dbraw/zinc/99/57/71/1029995771.db2.gz RTAALHBMBSKJEM-NXEZZACHSA-N -1 3 310.394 3.546 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000357334114 1030001788 /nfs/dbraw/zinc/00/17/88/1030001788.db2.gz HPSAYWKPBFIASF-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM Cc1coc(C)c1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000357334114 1030001806 /nfs/dbraw/zinc/00/18/06/1030001806.db2.gz HPSAYWKPBFIASF-UHFFFAOYSA-N -1 3 322.324 3.680 20 0 DHADHM CCCN1Cc2cccc(NC(=O)c3cccc([O-])c3F)c2C1 ZINC001136583060 1030011623 /nfs/dbraw/zinc/01/16/23/1030011623.db2.gz HCARQARRERRQRQ-UHFFFAOYSA-N -1 3 314.360 3.509 20 0 DHADHM CCc1cc([N-]C(=O)c2ccc(SC(F)(F)F)o2)no1 ZINC000866013477 1030108312 /nfs/dbraw/zinc/10/83/12/1030108312.db2.gz GAKIAXUTXFVPOQ-UHFFFAOYSA-N -1 3 306.265 3.694 20 0 DHADHM COc1cc(Cl)ccc1CSCc1nc(C)cc(=O)[n-]1 ZINC000794898579 1030149337 /nfs/dbraw/zinc/14/93/37/1030149337.db2.gz NXXBVNCHQGUWQY-UHFFFAOYSA-N -1 3 310.806 3.586 20 0 DHADHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533159245 1030162928 /nfs/dbraw/zinc/16/29/28/1030162928.db2.gz PZYJSUJQJSCCRU-NSHDSACASA-N -1 3 305.761 3.760 20 0 DHADHM CSc1ccncc1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000866392614 1030275467 /nfs/dbraw/zinc/27/54/67/1030275467.db2.gz FQWSXHCPGGJUOJ-UHFFFAOYSA-N -1 3 307.444 3.810 20 0 DHADHM CCc1ccc([C@@H](COC)N[C@@H](C)c2cc([O-])cc(F)c2)o1 ZINC000925146743 1030288010 /nfs/dbraw/zinc/28/80/10/1030288010.db2.gz PNRKICSKGIACQF-MEDUHNTESA-N -1 3 307.365 3.725 20 0 DHADHM Oc1ccc2c(c1)C[C@H](Nc1ccc3c(c1)[N-]C(=S)C3)CC2 ZINC001171041070 1030452802 /nfs/dbraw/zinc/45/28/02/1030452802.db2.gz SGMPIQRSMIFOGB-CQSZACIVSA-N -1 3 310.422 3.657 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)c2ccc3ccccc3c2)c1 ZINC000121646956 1030457182 /nfs/dbraw/zinc/45/71/82/1030457182.db2.gz CCFSBPXZKMGFCB-UHFFFAOYSA-N -1 3 307.349 3.831 20 0 DHADHM O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)cc1[O-] ZINC000533618971 1030460250 /nfs/dbraw/zinc/46/02/50/1030460250.db2.gz TXQGPYULXBQQDK-UHFFFAOYSA-N -1 3 312.152 3.717 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000358425832 1030485055 /nfs/dbraw/zinc/48/50/55/1030485055.db2.gz LRBPIJAORMAXKG-MRXNPFEDSA-N -1 3 323.389 3.547 20 0 DHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC001136836283 1030495029 /nfs/dbraw/zinc/49/50/29/1030495029.db2.gz XDTSPHPEXMVRAH-VIFPVBQESA-N -1 3 323.364 3.883 20 0 DHADHM C[C@H]1c2ccccc2CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000777582195 1030559653 /nfs/dbraw/zinc/55/96/53/1030559653.db2.gz CGQTWCNZSCYKAS-ZDUSSCGKSA-N -1 3 321.376 3.618 20 0 DHADHM [O-]c1ccc(Nc2snnc2-c2ccccc2)c(F)c1F ZINC001212000017 1030565730 /nfs/dbraw/zinc/56/57/30/1030565730.db2.gz HTFCNYJANADWLO-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM O=C(CC(F)(F)C(F)(F)F)Nc1c([O-])cccc1Cl ZINC000868565822 1030602785 /nfs/dbraw/zinc/60/27/85/1030602785.db2.gz DBMOBJPODUWJJO-UHFFFAOYSA-N -1 3 303.614 3.572 20 0 DHADHM O=C1CCCN1c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212007436 1030643053 /nfs/dbraw/zinc/64/30/53/1030643053.db2.gz DTLAZEHIESPXRV-UHFFFAOYSA-N -1 3 304.296 3.541 20 0 DHADHM Nc1ccc(OC(F)(F)F)cc1Nc1ccc([O-])c(F)c1F ZINC001212013667 1030659507 /nfs/dbraw/zinc/65/95/07/1030659507.db2.gz DCIUMSCERWCCMK-UHFFFAOYSA-N -1 3 320.217 3.895 20 0 DHADHM CC1(C)COC(c2ccccc2Nc2ccc([O-])c(F)c2F)=N1 ZINC001212016217 1030672946 /nfs/dbraw/zinc/67/29/46/1030672946.db2.gz DULLZXRLHBSZCH-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM CC1(C)NC(=O)Nc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212016439 1030676748 /nfs/dbraw/zinc/67/67/48/1030676748.db2.gz QAYULOOPBNIBFC-UHFFFAOYSA-N -1 3 319.311 3.784 20 0 DHADHM CCCCCC[C@](C)(CC)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034281 1030707686 /nfs/dbraw/zinc/70/76/86/1030707686.db2.gz FUIGRPJVPFLMDD-SFHVURJKSA-N -1 3 319.449 3.720 20 0 DHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4sccc4c3)n[n-]2)o1 ZINC000359002421 1030723214 /nfs/dbraw/zinc/72/32/14/1030723214.db2.gz ONBQXVAFWZULTN-UHFFFAOYSA-N -1 3 324.365 3.840 20 0 DHADHM CCCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000359011650 1030729227 /nfs/dbraw/zinc/72/92/27/1030729227.db2.gz ANFGHEWJLQKSSB-UHFFFAOYSA-N -1 3 310.357 3.578 20 0 DHADHM Cc1ccc(C(F)(F)F)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000825442128 1030811312 /nfs/dbraw/zinc/81/13/12/1030811312.db2.gz XVKWZZQIXHZSAZ-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM Cc1ccc(C(F)(F)F)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000825442128 1030811329 /nfs/dbraw/zinc/81/13/29/1030811329.db2.gz XVKWZZQIXHZSAZ-LBPRGKRZSA-N -1 3 318.295 3.594 20 0 DHADHM CCc1nccc(C)c1NC(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149190961 1030872626 /nfs/dbraw/zinc/87/26/26/1030872626.db2.gz QLPLOOWLEBQMCO-UHFFFAOYSA-N -1 3 321.380 3.767 20 0 DHADHM CCc1ccc(CCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871210727 1031160027 /nfs/dbraw/zinc/16/00/27/1031160027.db2.gz XQBABBDUUPQZDK-UHFFFAOYSA-N -1 3 303.324 3.572 20 0 DHADHM C[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1 ZINC000871212131 1031162053 /nfs/dbraw/zinc/16/20/53/1031162053.db2.gz YFILEVCBYOEIMQ-JTQLQIEISA-N -1 3 307.287 3.710 20 0 DHADHM Cc1oc2ccccc2c1CC(=O)[N-]OCCCC(F)(F)F ZINC000871214232 1031164688 /nfs/dbraw/zinc/16/46/88/1031164688.db2.gz DXXKMTZPBULLEX-UHFFFAOYSA-N -1 3 315.291 3.674 20 0 DHADHM O=C(CC1CCC(F)(F)CC1)[N-]OCCCC(F)(F)F ZINC000871216927 1031165377 /nfs/dbraw/zinc/16/53/77/1031165377.db2.gz FMJRJSJYWXPKAJ-UHFFFAOYSA-N -1 3 303.271 3.592 20 0 DHADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccncc1 ZINC000349995632 1031250153 /nfs/dbraw/zinc/25/01/53/1031250153.db2.gz YBOLMHIWPVVZGL-KRWDZBQOSA-N -1 3 306.365 3.822 20 0 DHADHM CC(C)(C)Oc1ccc(CNCc2cccc([O-])c2Cl)cn1 ZINC000293215843 1031379476 /nfs/dbraw/zinc/37/94/76/1031379476.db2.gz JOMPJTYBBPEQIZ-UHFFFAOYSA-N -1 3 320.820 3.908 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1coc(Br)c1 ZINC000928789709 1031383480 /nfs/dbraw/zinc/38/34/80/1031383480.db2.gz PEXYTHMJNABDPZ-UHFFFAOYSA-N -1 3 313.151 3.714 20 0 DHADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928789834 1031386313 /nfs/dbraw/zinc/38/63/13/1031386313.db2.gz RUVULDZDNUVONZ-JTQLQIEISA-N -1 3 323.418 3.831 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3noc(C)n3)c2)c1[O-] ZINC000536689188 1031393669 /nfs/dbraw/zinc/39/36/69/1031393669.db2.gz RULYGLXWHFODNZ-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM C[C@H](NCc1ccc(OCC2CC2)nc1)c1cccc([O-])c1F ZINC000872030401 1031414012 /nfs/dbraw/zinc/41/40/12/1031414012.db2.gz DVKRAQLBZTYBLE-LBPRGKRZSA-N -1 3 316.376 3.566 20 0 DHADHM C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144277283 1031432611 /nfs/dbraw/zinc/43/26/11/1031432611.db2.gz JPLWQFJIBPEYGD-HFBDOXOYSA-N -1 3 322.202 3.696 20 0 DHADHM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cccc([O-])c1F ZINC000872057608 1031449163 /nfs/dbraw/zinc/44/91/63/1031449163.db2.gz GOFXVSHYRQTAAL-GFCCVEGCSA-N -1 3 301.365 3.700 20 0 DHADHM C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc([O-])c1F ZINC000872060073 1031452048 /nfs/dbraw/zinc/45/20/48/1031452048.db2.gz LQGLVJUOMDKXOA-LBPRGKRZSA-N -1 3 318.392 3.954 20 0 DHADHM CC(C)[C@H](O)[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872088412 1031486442 /nfs/dbraw/zinc/48/64/42/1031486442.db2.gz OBWLCLGRAVOKLA-AGRHKRQWSA-N -1 3 317.404 3.940 20 0 DHADHM CCOc1cc(CNCc2cccc([O-])c2Cl)ccc1OC ZINC000293612341 1031541082 /nfs/dbraw/zinc/54/10/82/1031541082.db2.gz PUVGBMBWCHJQBA-UHFFFAOYSA-N -1 3 321.804 3.743 20 0 DHADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c([O-])c1 ZINC000293724828 1031590224 /nfs/dbraw/zinc/59/02/24/1031590224.db2.gz KFHXRUSBIUOMPA-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM Cc1ccc2cccnc2c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144629214 1031778617 /nfs/dbraw/zinc/77/86/17/1031778617.db2.gz ZYPHSUWLWXNGSQ-UHFFFAOYSA-N -1 3 310.328 3.569 20 0 DHADHM Cc1ncn(-c2ccc(NCc3cc([O-])cc(F)c3)cc2)c1C ZINC000361229954 1031799238 /nfs/dbraw/zinc/79/92/38/1031799238.db2.gz STKZIEYJPVKQBV-UHFFFAOYSA-N -1 3 311.360 3.946 20 0 DHADHM CCOc1cc(CNc2cnn(C3CCC3)c2)cc(Cl)c1[O-] ZINC000897878311 1031864426 /nfs/dbraw/zinc/86/44/26/1031864426.db2.gz YBAJBLATMFFQSY-UHFFFAOYSA-N -1 3 321.808 3.978 20 0 DHADHM [O-]c1cccc(CNc2cnn(C3CCC3)c2)c1Br ZINC000897877586 1031864966 /nfs/dbraw/zinc/86/49/66/1031864966.db2.gz LVJGTAWAGRHSIJ-UHFFFAOYSA-N -1 3 322.206 3.688 20 0 DHADHM [O-]c1ccc(F)c(CNc2ccccc2N2CCCC2)c1F ZINC000294315042 1031932310 /nfs/dbraw/zinc/93/23/10/1031932310.db2.gz QRJJXYZSBZQBMS-UHFFFAOYSA-N -1 3 304.340 3.883 20 0 DHADHM CC1(C)CC[C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC001142532086 1031956186 /nfs/dbraw/zinc/95/61/86/1031956186.db2.gz WPKUGFOVXSFZQO-MRXNPFEDSA-N -1 3 311.381 3.640 20 0 DHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C(C)C)nc2C)cc1 ZINC000842026564 1031956709 /nfs/dbraw/zinc/95/67/09/1031956709.db2.gz PMVUNLZUTHMWMK-UHFFFAOYSA-N -1 3 312.413 3.612 20 0 DHADHM CCCOCc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000294434529 1031996860 /nfs/dbraw/zinc/99/68/60/1031996860.db2.gz XMHBOOVAZFHWET-UHFFFAOYSA-N -1 3 321.367 3.887 20 0 DHADHM CCC(C)=CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000294452761 1032008232 /nfs/dbraw/zinc/00/82/32/1032008232.db2.gz LEGNRQCHDUVCEW-FMIVXFBMSA-N -1 3 311.385 3.706 20 0 DHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OC1CCCCC1 ZINC000777949990 1032012610 /nfs/dbraw/zinc/01/26/10/1032012610.db2.gz PRBUQYAOJMQVHX-UHFFFAOYSA-N -1 3 306.793 3.744 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC000846579595 1032018061 /nfs/dbraw/zinc/01/80/61/1032018061.db2.gz VKBIVGLYGOBDBU-INIZCTEOSA-N -1 3 309.356 3.777 20 0 DHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(C2CCCCC2)C1 ZINC000294484489 1032024654 /nfs/dbraw/zinc/02/46/54/1032024654.db2.gz XFZHDXQDTLPTIY-UHFFFAOYSA-N -1 3 310.397 3.593 20 0 DHADHM O=C(Cc1cccc(OC(F)(F)F)c1)[N-]OC1CCCCC1 ZINC000777958072 1032043317 /nfs/dbraw/zinc/04/33/17/1032043317.db2.gz JPATVYHVJWUNQU-UHFFFAOYSA-N -1 3 317.307 3.508 20 0 DHADHM CCCCN(Cn1[n-]c(-c2ccccn2)nc1=S)[C@@H](C)CC ZINC000117319274 1033336134 /nfs/dbraw/zinc/33/61/34/1033336134.db2.gz MOJTVFPRQBDTBQ-ZDUSSCGKSA-N -1 3 319.478 3.861 20 0 DHADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001137246552 1033339268 /nfs/dbraw/zinc/33/92/68/1033339268.db2.gz GKMJMBAGHLFDMR-JSGCOSHPSA-N -1 3 311.472 3.518 20 0 DHADHM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1c([O-])cccc1Cl ZINC000552780741 1033508434 /nfs/dbraw/zinc/50/84/34/1033508434.db2.gz NKEUIIYZWBGFPO-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccc2c(c1)CCCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC000877936567 1033520155 /nfs/dbraw/zinc/52/01/55/1033520155.db2.gz YLIUYDOYVZHGHB-UHFFFAOYSA-N -1 3 321.380 3.703 20 0 DHADHM [O-]c1cncc(-c2nc(-c3cccc4c(Cl)ccnc34)no2)c1 ZINC001212708356 1033569644 /nfs/dbraw/zinc/56/96/44/1033569644.db2.gz GBQRVSYANCIRTI-UHFFFAOYSA-N -1 3 324.727 3.706 20 0 DHADHM C[C@H]1c2ccccc2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878082981 1033574226 /nfs/dbraw/zinc/57/42/26/1033574226.db2.gz KOQFPMRPQKPIDT-ZDUSSCGKSA-N -1 3 321.380 3.562 20 0 DHADHM CCSc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000479164272 1033673214 /nfs/dbraw/zinc/67/32/14/1033673214.db2.gz LZCCMRAYNMJERI-UHFFFAOYSA-N -1 3 305.374 3.573 20 0 DHADHM [O-]c1ccccc1-c1nnc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000878374839 1033681681 /nfs/dbraw/zinc/68/16/81/1033681681.db2.gz JGBFUERBMRSUMU-SFHVURJKSA-N -1 3 321.380 3.683 20 0 DHADHM O=C(Nc1ccnn1C1CCC1)c1cc2sccc2c([O-])c1 ZINC000890359435 1033850836 /nfs/dbraw/zinc/85/08/36/1033850836.db2.gz MSIPBJHPGCUDLP-UHFFFAOYSA-N -1 3 313.382 3.781 20 0 DHADHM [O-]c1cccc2sc(Nc3ccc4c(c3)OCCO4)nc21 ZINC001173875428 1033879061 /nfs/dbraw/zinc/87/90/61/1033879061.db2.gz LYMUAXQXFLXQLT-UHFFFAOYSA-N -1 3 300.339 3.517 20 0 DHADHM COc1cccc(OC)c1Nc1nc2c(cccc2[O-])s1 ZINC001173922465 1033955027 /nfs/dbraw/zinc/95/50/27/1033955027.db2.gz XNUIHBPHTBORAE-UHFFFAOYSA-N -1 3 302.355 3.763 20 0 DHADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000567173098 1034003873 /nfs/dbraw/zinc/00/38/73/1034003873.db2.gz MKPMMAQGGPDXJQ-ZDUSSCGKSA-N -1 3 317.385 3.878 20 0 DHADHM Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000023346070 1034028029 /nfs/dbraw/zinc/02/80/29/1034028029.db2.gz CUSSNFGJMWEENV-UHFFFAOYSA-N -1 3 313.378 3.886 20 0 DHADHM Cc1c([O-])ccc2c(CS[C@@H]3COC(C)(C)C3)cc(=O)oc12 ZINC000863355307 1034072985 /nfs/dbraw/zinc/07/29/85/1034072985.db2.gz MHROLJSRDDNYAX-LBPRGKRZSA-N -1 3 320.410 3.608 20 0 DHADHM Cn1cnc2ccc(Nc3cccc([O-])c3Br)cc21 ZINC001174350088 1034311762 /nfs/dbraw/zinc/31/17/62/1034311762.db2.gz XBIREEDHHKCTRD-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)n1 ZINC000842194106 1034317165 /nfs/dbraw/zinc/31/71/65/1034317165.db2.gz SKQYWDIAOLRTKT-UHFFFAOYSA-N -1 3 321.833 3.850 20 0 DHADHM O=C([O-])CCCCCCNCc1c(F)ccc(F)c1Cl ZINC000864504330 1034367295 /nfs/dbraw/zinc/36/72/95/1034367295.db2.gz SNCRPBSYZQPDPW-UHFFFAOYSA-N -1 3 305.752 3.743 20 0 DHADHM CCOc1cc(F)cc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000864509150 1034370370 /nfs/dbraw/zinc/37/03/70/1034370370.db2.gz HJGUYOHUZHQWJT-CQSZACIVSA-N -1 3 323.389 3.592 20 0 DHADHM COc1ccc(F)c(F)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174422913 1034370854 /nfs/dbraw/zinc/37/08/54/1034370854.db2.gz PHXUSHPPOSBWGI-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM O=C([O-])C[C@@H](NCc1csc(C2CC2)n1)C1CCCCC1 ZINC000864520347 1034374807 /nfs/dbraw/zinc/37/48/07/1034374807.db2.gz RPRYYZFOYNNHNB-CQSZACIVSA-N -1 3 308.447 3.534 20 0 DHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc(C)oc1C ZINC000864528586 1034376691 /nfs/dbraw/zinc/37/66/91/1034376691.db2.gz RKJLHIRLDRUXJS-QGZVFWFLSA-N -1 3 301.386 3.764 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2ncsc2C2CC2)s1 ZINC000880659588 1034386760 /nfs/dbraw/zinc/38/67/60/1034386760.db2.gz LLIOMNHTHLGMPM-UHFFFAOYSA-N -1 3 322.459 3.713 20 0 DHADHM [O-]c1cccc(Nc2ccnc3[nH]ccc32)c1Br ZINC001174412448 1034399465 /nfs/dbraw/zinc/39/94/65/1034399465.db2.gz LRVLKTSFCAGDAZ-UHFFFAOYSA-N -1 3 304.147 3.726 20 0 DHADHM CCC(F)(F)c1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000880775020 1034436538 /nfs/dbraw/zinc/43/65/38/1034436538.db2.gz JNKSHNFTJSVIPQ-CYBMUJFWSA-N -1 3 314.332 3.768 20 0 DHADHM CCC(F)(F)c1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000880775020 1034436551 /nfs/dbraw/zinc/43/65/51/1034436551.db2.gz JNKSHNFTJSVIPQ-CYBMUJFWSA-N -1 3 314.332 3.768 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(O)c(F)c1 ZINC001174740407 1034588898 /nfs/dbraw/zinc/58/88/98/1034588898.db2.gz FKSRXACWNMDFIE-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM O=c1cc(Nc2cncc(C(F)(F)F)c2)n(C2CCCC2)[n-]1 ZINC001174740757 1034590013 /nfs/dbraw/zinc/59/00/13/1034590013.db2.gz QDUGLQXDOYIUMH-UHFFFAOYSA-N -1 3 312.295 3.861 20 0 DHADHM O=c1cc(Nc2cccc3cccnc32)[n-]n1-c1ccccc1 ZINC001174856792 1034648189 /nfs/dbraw/zinc/64/81/89/1034648189.db2.gz CNAFVNHEDKMUEQ-UHFFFAOYSA-N -1 3 302.337 3.870 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(F)CC1 ZINC000881609380 1034654868 /nfs/dbraw/zinc/65/48/68/1034654868.db2.gz QJQNVHADKDCXBM-UHFFFAOYSA-N -1 3 315.344 3.759 20 0 DHADHM CC(C)Cc1coc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000899447943 1034675635 /nfs/dbraw/zinc/67/56/35/1034675635.db2.gz FGAPMEKLXMBAAR-UHFFFAOYSA-N -1 3 320.364 3.679 20 0 DHADHM CC(C)(C)OCc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001174915088 1034678228 /nfs/dbraw/zinc/67/82/28/1034678228.db2.gz NNXUKWCDINWLAW-UHFFFAOYSA-N -1 3 314.385 3.550 20 0 DHADHM CC(C)OC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174916013 1034680996 /nfs/dbraw/zinc/68/09/96/1034680996.db2.gz PIIGXQVDYAWQJJ-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM Cn1c(C(=O)Nc2cccc([O-])c2F)ccc1-c1ccccc1 ZINC000129368707 1034714149 /nfs/dbraw/zinc/71/41/49/1034714149.db2.gz MBUUDGDAOZJPND-UHFFFAOYSA-N -1 3 310.328 3.789 20 0 DHADHM Cc1nccn1Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175100438 1034781599 /nfs/dbraw/zinc/78/15/99/1034781599.db2.gz UJDWLWICAMEKJQ-UHFFFAOYSA-N -1 3 315.323 3.967 20 0 DHADHM COC(=O)c1ccc(C)c(Nc2c(F)cc([O-])cc2F)c1C ZINC001175100369 1034782862 /nfs/dbraw/zinc/78/28/62/1034782862.db2.gz YZRBJMOOHOVEAU-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM Cc1ccc(C(=O)NC2CC2)cc1Nc1c(F)cc([O-])cc1F ZINC001175101987 1034784926 /nfs/dbraw/zinc/78/49/26/1034784926.db2.gz BXRUGGYSDSHLRY-UHFFFAOYSA-N -1 3 318.323 3.615 20 0 DHADHM CC(C)c1cnc(NC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000192391110 1034801864 /nfs/dbraw/zinc/80/18/64/1034801864.db2.gz FYJBUZSXVHZYFZ-UHFFFAOYSA-N -1 3 309.366 3.659 20 0 DHADHM CCOc1ccc(Nc2ncc(Cl)cc2[O-])c(F)c1F ZINC001175151628 1034814109 /nfs/dbraw/zinc/81/41/09/1034814109.db2.gz YPVNGJYAFNJXEY-UHFFFAOYSA-N -1 3 300.692 3.861 20 0 DHADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000192723936 1034816489 /nfs/dbraw/zinc/81/64/89/1034816489.db2.gz YRMQEWTXVQMJEG-BXUZGUMPSA-N -1 3 305.809 3.946 20 0 DHADHM O=C(CCSc1ccc(Cl)cc1)[N-]Oc1ccccc1 ZINC000773464421 1034833407 /nfs/dbraw/zinc/83/34/07/1034833407.db2.gz BYMYTLIZVZSZDY-UHFFFAOYSA-N -1 3 307.802 3.932 20 0 DHADHM Cc1nc2ccc(C(=O)Nc3cccc([O-])c3F)cc2s1 ZINC000555737456 1034879626 /nfs/dbraw/zinc/87/96/26/1034879626.db2.gz XSHDFEYCYXVCSN-UHFFFAOYSA-N -1 3 302.330 3.702 20 0 DHADHM COc1ccccc1-n1nccc1Nc1c(F)ccc([O-])c1F ZINC001175265896 1034913894 /nfs/dbraw/zinc/91/38/94/1034913894.db2.gz LXRNFVLBAFQMLU-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM CC(C)c1nnc2ccc(Nc3c(F)ccc([O-])c3F)cn21 ZINC001175265610 1034914027 /nfs/dbraw/zinc/91/40/27/1034914027.db2.gz IPHNMIPGXHYHCW-UHFFFAOYSA-N -1 3 304.300 3.580 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(-c3ccncn3)cs2)c1F ZINC001175264625 1034914183 /nfs/dbraw/zinc/91/41/83/1034914183.db2.gz ZETWHFHXRIZUOP-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM Nc1ccc(N(c2c(F)ccc([O-])c2F)C2CCCC2)nc1 ZINC001175265862 1034914217 /nfs/dbraw/zinc/91/42/17/1034914217.db2.gz LFEBYODGHBJIRT-UHFFFAOYSA-N -1 3 305.328 3.728 20 0 DHADHM CCOC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1C ZINC001175268970 1034914285 /nfs/dbraw/zinc/91/42/85/1034914285.db2.gz UBOBOZHWJLVGKH-UHFFFAOYSA-N -1 3 307.296 3.899 20 0 DHADHM CC(C)(C)c1nnc2ccc(Nc3c(F)ccc([O-])c3F)cn21 ZINC001175265561 1034914411 /nfs/dbraw/zinc/91/44/11/1034914411.db2.gz GFWQYJNCWCIFMJ-UHFFFAOYSA-N -1 3 318.327 3.754 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(Br)cc2O)c1F ZINC001175265348 1034914898 /nfs/dbraw/zinc/91/48/98/1034914898.db2.gz MCTNISPVAWQOMW-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM [O-]c1ccc(F)c(Nc2ccc(O)cc2Br)c1F ZINC001175269131 1034916536 /nfs/dbraw/zinc/91/65/36/1034916536.db2.gz DFIFORBPLUWPRF-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCOC(=O)CCc1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175269973 1034916779 /nfs/dbraw/zinc/91/67/79/1034916779.db2.gz PLODHIRCPOIQKG-UHFFFAOYSA-N -1 3 321.323 3.910 20 0 DHADHM COc1ncc(Nc2cc(Br)cc(F)c2[O-])s1 ZINC001175392165 1034966474 /nfs/dbraw/zinc/96/64/74/1034966474.db2.gz VRLWDZKDVWUPHT-UHFFFAOYSA-N -1 3 319.155 3.503 20 0 DHADHM c1cncc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC001175429748 1034978445 /nfs/dbraw/zinc/97/84/45/1034978445.db2.gz ZVSQLJFWMWEAAB-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM Clc1cccc2ncc(Nc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001175428328 1034979353 /nfs/dbraw/zinc/97/93/53/1034979353.db2.gz YHRQDFCSUSBVMK-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CC(C)Oc1cc(F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431367 1034979996 /nfs/dbraw/zinc/97/99/96/1034979996.db2.gz GBZILQHWVIYLDO-UHFFFAOYSA-N -1 3 313.336 3.537 20 0 DHADHM Clc1c(Nc2ccc(-c3nn[n-]n3)cc2)ccc2cnccc21 ZINC001175433122 1034982228 /nfs/dbraw/zinc/98/22/28/1034982228.db2.gz PQOVHIHBOSEKHF-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM CCS(=O)(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001175453638 1035006966 /nfs/dbraw/zinc/00/69/66/1035006966.db2.gz XGXIGEQGOLENCI-UHFFFAOYSA-N -1 3 311.790 3.583 20 0 DHADHM Nc1cc(C(F)(F)F)c(Nc2cccc(Cl)c2[O-])cn1 ZINC001175712885 1035088586 /nfs/dbraw/zinc/08/85/86/1035088586.db2.gz LFVMXSUEECVLNE-UHFFFAOYSA-N -1 3 303.671 3.785 20 0 DHADHM Cn1ccc2c1cccc2Nc1ncc(Br)cc1[O-] ZINC001175862148 1035146017 /nfs/dbraw/zinc/14/60/17/1035146017.db2.gz DINGFTPYYZTGOL-UHFFFAOYSA-N -1 3 318.174 3.785 20 0 DHADHM [O-]c1ccc(Nc2cccc(CN3CCOCC3)c2)cc1Cl ZINC001175859313 1035146431 /nfs/dbraw/zinc/14/64/31/1035146431.db2.gz GDEVYPQVPNTWPN-UHFFFAOYSA-N -1 3 318.804 3.621 20 0 DHADHM Cn1ccc2c1cccc2Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175867198 1035147208 /nfs/dbraw/zinc/14/72/08/1035147208.db2.gz ZKVGSJOYTFYMDG-UHFFFAOYSA-N -1 3 304.353 3.813 20 0 DHADHM CSc1cc(C)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)o1 ZINC000668098295 1035161079 /nfs/dbraw/zinc/16/10/79/1035161079.db2.gz DONUOHIOGDDKOF-UHFFFAOYSA-N -1 3 311.432 3.711 20 0 DHADHM CN(C)C(=O)c1ccc(F)c([N-]c2nc3ccc(F)cc3o2)c1 ZINC001176043923 1035179914 /nfs/dbraw/zinc/17/99/14/1035179914.db2.gz UMEVFVBPISKVRT-UHFFFAOYSA-N -1 3 317.295 3.551 20 0 DHADHM CN(C)C(=O)c1ccc(F)c(Nc2ccc([O-])c(Cl)c2)c1 ZINC001176045879 1035183500 /nfs/dbraw/zinc/18/35/00/1035183500.db2.gz FHWNNRQDAWUGMM-UHFFFAOYSA-N -1 3 308.740 3.630 20 0 DHADHM CN(C)C(=O)c1ccc([N-]c2nc3ccc(F)cc3o2)c(F)c1 ZINC001176196764 1035217822 /nfs/dbraw/zinc/21/78/22/1035217822.db2.gz FFNKJAALKUPGCK-UHFFFAOYSA-N -1 3 317.295 3.551 20 0 DHADHM COc1c(Cl)cc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1Cl ZINC001176307749 1035249404 /nfs/dbraw/zinc/24/94/04/1035249404.db2.gz MQDVBLIYNMKFOK-UHFFFAOYSA-N -1 3 318.185 3.530 20 0 DHADHM CCN(C)C(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001176465380 1035275010 /nfs/dbraw/zinc/27/50/10/1035275010.db2.gz POOMJOGQTNBPJO-UHFFFAOYSA-N -1 3 304.777 3.881 20 0 DHADHM [O-]c1cccc(Nc2cc(F)cc(N3CCOCC3)c2)c1Cl ZINC001176503323 1035282526 /nfs/dbraw/zinc/28/25/26/1035282526.db2.gz WBKYHFSOXFGMMG-UHFFFAOYSA-N -1 3 322.767 3.765 20 0 DHADHM O=C([O-])CC1(CCNCc2nc3ccccc3o2)CCCCC1 ZINC000904018394 1035340405 /nfs/dbraw/zinc/34/04/05/1035340405.db2.gz PHSZZTRMHDPFOV-UHFFFAOYSA-N -1 3 316.401 3.733 20 0 DHADHM CCC[C@@H](CCCCNCc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC000904019127 1035341157 /nfs/dbraw/zinc/34/11/57/1035341157.db2.gz ZAKRSBUWYCEBPL-LBPRGKRZSA-N -1 3 322.380 3.728 20 0 DHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000904036054 1035347940 /nfs/dbraw/zinc/34/79/40/1035347940.db2.gz VTDBMXDWKFNNBP-PSASIEDQSA-N -1 3 318.175 3.642 20 0 DHADHM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904043600 1035351577 /nfs/dbraw/zinc/35/15/77/1035351577.db2.gz UWWJHTOKPBGYDU-SFHVURJKSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cnc(C(C)C)s2)c1 ZINC000904044514 1035351676 /nfs/dbraw/zinc/35/16/76/1035351676.db2.gz BRYCVBYAXLMIRZ-OAHLLOKOSA-N -1 3 318.442 3.881 20 0 DHADHM O=C([O-])[C@H]1CC[C@@H](NCc2cc(Cl)sc2Cl)CC1 ZINC000904056762 1035355519 /nfs/dbraw/zinc/35/55/19/1035355519.db2.gz NDBFQIFQEJQLQF-OTSSQURYSA-N -1 3 308.230 3.788 20 0 DHADHM Cc1cccnc1[C@H](NCc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000904267916 1035390731 /nfs/dbraw/zinc/39/07/31/1035390731.db2.gz KSCHGWPQZVWCGF-KRWDZBQOSA-N -1 3 312.413 3.965 20 0 DHADHM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183630 1035466539 /nfs/dbraw/zinc/46/65/39/1035466539.db2.gz WDKJUUWTHHGWGF-UWVGGRQHSA-N -1 3 320.359 3.607 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccn1 ZINC000905144227 1035483465 /nfs/dbraw/zinc/48/34/65/1035483465.db2.gz QKXFTWBDUMEBAC-ZDUSSCGKSA-N -1 3 308.303 3.580 20 0 DHADHM CCOC(=O)c1nc(C)oc1[N-]c1c2cc[nH]c2ccc1F ZINC001204253900 1035492219 /nfs/dbraw/zinc/49/22/19/1035492219.db2.gz BQVDAOUZLQASPC-UHFFFAOYSA-N -1 3 303.293 3.524 20 0 DHADHM CC(C)CCc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000775577151 1035565820 /nfs/dbraw/zinc/56/58/20/1035565820.db2.gz KXEXYPHTXZVYNO-INIZCTEOSA-N -1 3 306.406 3.855 20 0 DHADHM CC(C)CCc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000775577151 1035565826 /nfs/dbraw/zinc/56/58/26/1035565826.db2.gz KXEXYPHTXZVYNO-INIZCTEOSA-N -1 3 306.406 3.855 20 0 DHADHM CCCCCNC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001193338261 1035611280 /nfs/dbraw/zinc/61/12/80/1035611280.db2.gz XKBFZEBAPUFPDS-UHFFFAOYSA-N -1 3 322.405 3.659 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCc2c(O)cccc21 ZINC000190809952 1035637347 /nfs/dbraw/zinc/63/73/47/1035637347.db2.gz JFXCLYGJFGESEY-CYBMUJFWSA-N -1 3 317.772 3.810 20 0 DHADHM CCc1nccc(C)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193734670 1035709218 /nfs/dbraw/zinc/70/92/18/1035709218.db2.gz HVYMYRKTAPJBAT-UHFFFAOYSA-N -1 3 324.302 3.929 20 0 DHADHM Cc1cc(C)cc(OCC(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001180540326 1035711652 /nfs/dbraw/zinc/71/16/52/1035711652.db2.gz JPGLCPFNTUBORU-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM CC(C)c1ccc(OCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001180544940 1035714809 /nfs/dbraw/zinc/71/48/09/1035714809.db2.gz WYIXDQRHUUBIJE-UHFFFAOYSA-N -1 3 303.333 3.672 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC001193931505 1035763413 /nfs/dbraw/zinc/76/34/13/1035763413.db2.gz UQHMHBCEGUIGBP-OAHLLOKOSA-N -1 3 303.402 3.591 20 0 DHADHM Cc1ccc(CSc2nc(NC(=O)CCC3CC3)n[n-]2)cc1 ZINC001180833385 1035764317 /nfs/dbraw/zinc/76/43/17/1035764317.db2.gz VGRVRBLCMZGOIM-UHFFFAOYSA-N -1 3 316.430 3.534 20 0 DHADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194639850 1035975691 /nfs/dbraw/zinc/97/56/91/1035975691.db2.gz VIERPXCOVVTQNJ-UHFFFAOYSA-N -1 3 305.399 3.503 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000194294094 1035995359 /nfs/dbraw/zinc/99/53/59/1035995359.db2.gz CWLPLSFBYLMBPY-UHFFFAOYSA-N -1 3 315.369 3.578 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccc(F)cc3)cn2)n1 ZINC001194750858 1036001252 /nfs/dbraw/zinc/00/12/52/1036001252.db2.gz IMNQWEFGCALJFZ-UHFFFAOYSA-N -1 3 323.327 3.549 20 0 DHADHM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)c1cccc([O-])c1 ZINC000350599167 1036079569 /nfs/dbraw/zinc/07/95/69/1036079569.db2.gz ONAKJLREIYYPNG-HNNXBMFYSA-N -1 3 312.337 3.595 20 0 DHADHM Cc1cc([O-])c(Cl)cc1OC1CC(OC(=O)C(C)(C)C)C1 ZINC001233591104 1036153157 /nfs/dbraw/zinc/15/31/57/1036153157.db2.gz DGRVKBUZHPVNFM-UHFFFAOYSA-N -1 3 312.793 3.853 20 0 DHADHM COc1ccc(C(C)(C)C)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC001195447856 1036247617 /nfs/dbraw/zinc/24/76/17/1036247617.db2.gz HQXBIJDUHAGMLG-UHFFFAOYSA-N -1 3 314.385 3.654 20 0 DHADHM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195755710 1036329756 /nfs/dbraw/zinc/32/97/56/1036329756.db2.gz XYDDKIUTPSXIDB-GFCCVEGCSA-N -1 3 305.399 3.707 20 0 DHADHM CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195755710 1036329778 /nfs/dbraw/zinc/32/97/78/1036329778.db2.gz XYDDKIUTPSXIDB-GFCCVEGCSA-N -1 3 305.399 3.707 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccccc1F ZINC001195776572 1036343831 /nfs/dbraw/zinc/34/38/31/1036343831.db2.gz IAPSJHVEOOYFEP-UHFFFAOYSA-N -1 3 304.346 3.543 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c1 ZINC000541505177 1036344674 /nfs/dbraw/zinc/34/46/74/1036344674.db2.gz GDETWOUYNIAHEW-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM O=C(Nc1cccc([O-])c1F)C1CC(c2ccc(F)cc2)C1 ZINC000645944543 1036349862 /nfs/dbraw/zinc/34/98/62/1036349862.db2.gz VZUBHZWWOARDEF-UHFFFAOYSA-N -1 3 303.308 3.803 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000486699763 1036365561 /nfs/dbraw/zinc/36/55/61/1036365561.db2.gz XTULVGPDLNLDTE-CVEARBPZSA-N -1 3 319.426 3.593 20 0 DHADHM COc1cccc(-c2nc(CC3(c4ccccc4)CC3)no2)c1[O-] ZINC000867143642 1036394906 /nfs/dbraw/zinc/39/49/06/1036394906.db2.gz UAFXCOUTXABUEE-UHFFFAOYSA-N -1 3 322.364 3.725 20 0 DHADHM CC(C)c1cccc(N(CCO)Cc2ccc([O-])c(F)c2)c1 ZINC001182694629 1036429936 /nfs/dbraw/zinc/42/99/36/1036429936.db2.gz VWBAIUIQFKZHPZ-UHFFFAOYSA-N -1 3 303.377 3.654 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182716517 1036435206 /nfs/dbraw/zinc/43/52/06/1036435206.db2.gz QSGHIBJQURNZHA-NSHDSACASA-N -1 3 324.355 3.756 20 0 DHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccc(F)c(F)c1 ZINC000914891531 1036442538 /nfs/dbraw/zinc/44/25/38/1036442538.db2.gz RMVOAVHSOUGRKG-UHFFFAOYSA-N -1 3 321.304 3.547 20 0 DHADHM CC(C)c1noc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)n1 ZINC000914891600 1036442731 /nfs/dbraw/zinc/44/27/31/1036442731.db2.gz MZTGJLQAFMKRMZ-MRVPVSSYSA-N -1 3 305.359 3.654 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]2CCCC[C@H]12 ZINC000053483301 1036461022 /nfs/dbraw/zinc/46/10/22/1036461022.db2.gz DBKXJNRAPAPZOK-LBTNJELSSA-N -1 3 324.424 3.569 20 0 DHADHM CCCN(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1ccccc1F ZINC001196169035 1036464557 /nfs/dbraw/zinc/46/45/57/1036464557.db2.gz ZHRJYDMCHKDYNC-UHFFFAOYSA-N -1 3 315.392 3.611 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])C(F)=C1CCC1 ZINC000819430361 1036467290 /nfs/dbraw/zinc/46/72/90/1036467290.db2.gz FBAWZTQIBHGIOY-UHFFFAOYSA-N -1 3 300.127 3.501 20 0 DHADHM O=c1nc(COC2CCCC2)[n-]c2sc3c(c21)CCCCC3 ZINC000174446898 1036491386 /nfs/dbraw/zinc/49/13/86/1036491386.db2.gz BXGLWZCSWRNOJP-UHFFFAOYSA-N -1 3 318.442 3.713 20 0 DHADHM COc1ccc([C@H](C(=O)Nc2ccc(F)c([O-])c2)C(C)C)cc1 ZINC001182988003 1036496824 /nfs/dbraw/zinc/49/68/24/1036496824.db2.gz HCLUYJARKDJMJP-QGZVFWFLSA-N -1 3 317.360 3.918 20 0 DHADHM CC(C)(C)O[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001183028929 1036502171 /nfs/dbraw/zinc/50/21/71/1036502171.db2.gz FTCKGBBKGATGKG-UHFFFAOYSA-N -1 3 307.434 3.989 20 0 DHADHM O=C([N-]n1ccccc1=O)c1cc(-c2ccccc2)ccc1Cl ZINC001183084838 1036509811 /nfs/dbraw/zinc/50/98/11/1036509811.db2.gz BEGDSSDNVVQCCL-UHFFFAOYSA-N -1 3 324.767 3.553 20 0 DHADHM CC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001196555446 1036564651 /nfs/dbraw/zinc/56/46/51/1036564651.db2.gz AJKZPOLQILDSPH-UHFFFAOYSA-N -1 3 304.346 3.543 20 0 DHADHM CCc1csc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001299217457 1036592331 /nfs/dbraw/zinc/59/23/31/1036592331.db2.gz WDCLWWJEFZVRPF-UHFFFAOYSA-N -1 3 304.396 3.878 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001183485080 1036602235 /nfs/dbraw/zinc/60/22/35/1036602235.db2.gz OUPWRBPBLBVHCO-WDEREUQCSA-N -1 3 307.271 3.552 20 0 DHADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(F)c2ccccc21 ZINC001183504295 1036610674 /nfs/dbraw/zinc/61/06/74/1036610674.db2.gz YQAWICBRKULSIY-LLVKDONJSA-N -1 3 310.328 3.822 20 0 DHADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccc(F)c2ccccc21 ZINC001183504296 1036611363 /nfs/dbraw/zinc/61/13/63/1036611363.db2.gz YQAWICBRKULSIY-NSHDSACASA-N -1 3 310.328 3.822 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CC12CCC(F)(F)CC2 ZINC001183580772 1036631766 /nfs/dbraw/zinc/63/17/66/1036631766.db2.gz GRVWPOKZCRYVRL-LBPRGKRZSA-N -1 3 323.339 3.749 20 0 DHADHM O=C(/C=C\c1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000915198232 1036696585 /nfs/dbraw/zinc/69/65/85/1036696585.db2.gz GBRAMZYMGKGWNP-TWGQIWQCSA-N -1 3 318.170 3.807 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(C2CCC2)n1 ZINC001197872151 1036889793 /nfs/dbraw/zinc/88/97/93/1036889793.db2.gz ASOPQYGNXRMYBG-UHFFFAOYSA-N -1 3 310.353 3.510 20 0 DHADHM Cc1ccc(C)c(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000762770746 1036944844 /nfs/dbraw/zinc/94/48/44/1036944844.db2.gz AHHAYZWMQQCIMC-UHFFFAOYSA-N -1 3 305.365 3.605 20 0 DHADHM O=C(Nc1ccc(OC(F)F)cc1)c1cc([O-])ccc1Cl ZINC000236558497 1036964969 /nfs/dbraw/zinc/96/49/69/1036964969.db2.gz QYBWXHGIUBZSKH-UHFFFAOYSA-N -1 3 313.687 3.899 20 0 DHADHM O=C(NCCc1ccc(Cl)cc1)c1cc([O-])ccc1Cl ZINC000236613157 1036966890 /nfs/dbraw/zinc/96/68/90/1036966890.db2.gz GCOZMPZDVBNNJF-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM C=CS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(C)=O ZINC001198569544 1037060210 /nfs/dbraw/zinc/06/02/10/1037060210.db2.gz FHOJUMDRNFOOCB-UHFFFAOYSA-N -1 3 307.396 3.503 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nccn2-c2ccccc2)n1 ZINC000488638943 1037101501 /nfs/dbraw/zinc/10/15/01/1037101501.db2.gz FVSGDMWBEVKQJN-GFCCVEGCSA-N -1 3 312.398 3.530 20 0 DHADHM COc1ccccc1/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC000493028853 1037110726 /nfs/dbraw/zinc/11/07/26/1037110726.db2.gz VEIMRROCFSSBFH-KTKRTIGZSA-N -1 3 303.745 3.706 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccc(F)c(F)c1F ZINC001185329897 1037112534 /nfs/dbraw/zinc/11/25/34/1037112534.db2.gz NJDRWZXNISHPFW-UHFFFAOYSA-N -1 3 300.211 3.593 20 0 DHADHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccc3occc3c2)c1F ZINC001198858543 1037148808 /nfs/dbraw/zinc/14/88/08/1037148808.db2.gz CNERFOGQBQKBSV-UHFFFAOYSA-N -1 3 323.320 3.820 20 0 DHADHM COc1c(F)c(Cl)ccc1Nc1ncc(Cl)cc1[O-] ZINC001250188877 1037150755 /nfs/dbraw/zinc/15/07/55/1037150755.db2.gz KQRYLIJTNCGWAK-UHFFFAOYSA-N -1 3 303.120 3.985 20 0 DHADHM CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)CCC3)c1[O-] ZINC001185763653 1037229643 /nfs/dbraw/zinc/22/96/43/1037229643.db2.gz NKCCMJRDCQERDI-UHFFFAOYSA-N -1 3 310.353 3.728 20 0 DHADHM O=C([N-]c1cccnc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC001199310913 1037242313 /nfs/dbraw/zinc/24/23/13/1037242313.db2.gz AGIPWHWQXKWLGF-UHFFFAOYSA-N -1 3 317.707 3.781 20 0 DHADHM Cc1ncc(CSCc2cc(=O)oc3c(C)c([O-])ccc23)o1 ZINC000912422788 1037386583 /nfs/dbraw/zinc/38/65/83/1037386583.db2.gz QZAAXZKOBPQGBI-UHFFFAOYSA-N -1 3 317.366 3.537 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC=CC23CCCCC3)c1 ZINC000912479268 1037409412 /nfs/dbraw/zinc/40/94/12/1037409412.db2.gz LOEWKONYHWOOCO-UHFFFAOYSA-N -1 3 303.427 3.829 20 0 DHADHM CC(C)c1ccc([C@H](C)CC(=O)[N-]OCc2cccnc2)cc1 ZINC000152629178 1037469146 /nfs/dbraw/zinc/46/91/46/1037469146.db2.gz ZPGJXBKAXLXULW-OAHLLOKOSA-N -1 3 312.413 3.947 20 0 DHADHM O=S(=O)([N-][C@H](CC1CCC1)c1ccccc1F)c1ccco1 ZINC001186883769 1037516211 /nfs/dbraw/zinc/51/62/11/1037516211.db2.gz HOKREJDHFVPZLJ-OAHLLOKOSA-N -1 3 323.389 3.629 20 0 DHADHM COc1cc(C(F)(F)F)nc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235903074 1037546038 /nfs/dbraw/zinc/54/60/38/1037546038.db2.gz BIHWZPJOXDZDMJ-UHFFFAOYSA-N -1 3 304.655 3.530 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2cc([O-])ccc2Cl)c1O ZINC000490821088 1037827803 /nfs/dbraw/zinc/82/78/03/1037827803.db2.gz OSENLXSKYZBBMR-UHFFFAOYSA-N -1 3 312.152 3.965 20 0 DHADHM COc1ccc(OC)c(NC(=O)Nc2c([O-])cccc2Cl)c1 ZINC001188345769 1037872045 /nfs/dbraw/zinc/87/20/45/1037872045.db2.gz IJYVGYCGGOHRIM-UHFFFAOYSA-N -1 3 322.748 3.707 20 0 DHADHM O=C(Nc1ccc(Br)cc1[O-])C(C1CC1)C1CC1 ZINC000123925367 1037874159 /nfs/dbraw/zinc/87/41/59/1037874159.db2.gz KEDHKXYZFUGBBG-UHFFFAOYSA-N -1 3 310.191 3.529 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2c(C)cc(Cl)cc2C)c1 ZINC000161716710 1037894482 /nfs/dbraw/zinc/89/44/82/1037894482.db2.gz PRTSXQPNGKBBBU-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnccc2F)c(C)c1C ZINC001201795683 1037895759 /nfs/dbraw/zinc/89/57/59/1037895759.db2.gz VTXFJAFXPYWVFZ-UHFFFAOYSA-N -1 3 322.405 3.564 20 0 DHADHM COc1cc(CNC(=O)Nc2ccccc2F)cc(Cl)c1[O-] ZINC001202007612 1037959205 /nfs/dbraw/zinc/95/92/05/1037959205.db2.gz CGWHZCRCLMAFIR-UHFFFAOYSA-N -1 3 324.739 3.515 20 0 DHADHM CCOc1cccc(OCC)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188877934 1038002563 /nfs/dbraw/zinc/00/25/63/1038002563.db2.gz QLKULWRLVDAPII-UHFFFAOYSA-N -1 3 319.332 3.581 20 0 DHADHM C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@]1(C)C(=O)[O-] ZINC000571291124 1038122018 /nfs/dbraw/zinc/12/20/18/1038122018.db2.gz LWANNCNGBRPKRU-PXAZEXFGSA-N -1 3 322.474 3.733 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)c(F)cc1F ZINC001189310024 1038123744 /nfs/dbraw/zinc/12/37/44/1038123744.db2.gz UXLUFPFCEZMJPG-LLVKDONJSA-N -1 3 317.401 3.520 20 0 DHADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001189604936 1038172788 /nfs/dbraw/zinc/17/27/88/1038172788.db2.gz RHJRUAZWGWOSAE-NXEZZACHSA-N -1 3 322.257 3.708 20 0 DHADHM C[C@H]1CCCCN(C(=O)c2cccc(OC(F)(F)F)c2[O-])C1 ZINC001189755176 1038203881 /nfs/dbraw/zinc/20/38/81/1038203881.db2.gz KYQNYVHQNWUEMB-JTQLQIEISA-N -1 3 317.307 3.553 20 0 DHADHM CCc1cc(C(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)no1 ZINC001189996761 1038247571 /nfs/dbraw/zinc/24/75/71/1038247571.db2.gz WGBLINBFUXUZSF-UHFFFAOYSA-N -1 3 323.761 3.859 20 0 DHADHM COc1ccc(-c2cccc(C(=O)Nc3cncc([O-])c3)c2)cc1 ZINC001190306518 1038292524 /nfs/dbraw/zinc/29/25/24/1038292524.db2.gz RIZPHZPHYWKBLF-UHFFFAOYSA-N -1 3 320.348 3.715 20 0 DHADHM Cc1cnc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(Cl)c1 ZINC001190468937 1038326300 /nfs/dbraw/zinc/32/63/00/1038326300.db2.gz BVTDKPAWSUHJHX-UHFFFAOYSA-N -1 3 322.817 3.722 20 0 DHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C)cc1F ZINC001191045458 1038437103 /nfs/dbraw/zinc/43/71/03/1038437103.db2.gz PCWUHZOXKDYRBA-IAQYHMDHSA-N -1 3 317.401 3.520 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(Oc2ccccc2)nc1 ZINC001192082278 1038582847 /nfs/dbraw/zinc/58/28/47/1038582847.db2.gz UQELLECQOIVZRY-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CC(C)(C)c1ccc(C(=O)N2CC[C@@](C)(F)[C@H](F)C2)c([O-])c1 ZINC001192314952 1038626199 /nfs/dbraw/zinc/62/61/99/1038626199.db2.gz VSKXGOLFERVWJV-RHSMWYFYSA-N -1 3 311.372 3.602 20 0 DHADHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC001192798630 1038701176 /nfs/dbraw/zinc/70/11/76/1038701176.db2.gz NAONQTMVSPBVBD-CYBMUJFWSA-N -1 3 322.257 3.706 20 0 DHADHM CC(C)P(CCNC(=O)c1ccc([O-])c(F)c1F)C(C)C ZINC001192849521 1038709605 /nfs/dbraw/zinc/70/96/05/1038709605.db2.gz NLBUAMZZCZMEOW-UHFFFAOYSA-N -1 3 317.316 3.699 20 0 DHADHM CC[C@@H](CSC)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598696639 1038841516 /nfs/dbraw/zinc/84/15/16/1038841516.db2.gz RZJAVWZJPHYRJA-NSHDSACASA-N -1 3 321.364 3.625 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cc(F)ccc1F ZINC000061142322 1039047178 /nfs/dbraw/zinc/04/71/78/1039047178.db2.gz CYUJFCXCLTXFNC-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cc(F)ccc1F ZINC000061142322 1039047192 /nfs/dbraw/zinc/04/71/92/1039047192.db2.gz CYUJFCXCLTXFNC-SECBINFHSA-N -1 3 318.279 3.866 20 0 DHADHM O=c1nc(CN2CCCC[C@@H]2C2CCC2)[n-]c2ccsc21 ZINC000646139056 1039151502 /nfs/dbraw/zinc/15/15/02/1039151502.db2.gz GUTLGUSVTQPQNN-CYBMUJFWSA-N -1 3 303.431 3.552 20 0 DHADHM CSc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000669472868 1039413552 /nfs/dbraw/zinc/41/35/52/1039413552.db2.gz DVZZUOYRRPNOKJ-SNVBAGLBSA-N -1 3 313.469 3.837 20 0 DHADHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(Cl)cc1F ZINC000761014096 1039448148 /nfs/dbraw/zinc/44/81/48/1039448148.db2.gz YKIIKHFJGKAWIV-UHFFFAOYSA-N -1 3 322.719 3.533 20 0 DHADHM Cc1cccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1[O-] ZINC000605025594 1039607818 /nfs/dbraw/zinc/60/78/18/1039607818.db2.gz OKJWFSKKDIPOTM-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccccc1C ZINC000605495070 1039709171 /nfs/dbraw/zinc/70/91/71/1039709171.db2.gz PCGPYIHHXJQRME-UHFFFAOYSA-N -1 3 303.427 3.921 20 0 DHADHM CSc1nc(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)n[n-]1 ZINC000606359705 1039848228 /nfs/dbraw/zinc/84/82/28/1039848228.db2.gz KFYRYKXQEXCQMG-LLVKDONJSA-N -1 3 318.446 3.782 20 0 DHADHM CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000606910570 1040030780 /nfs/dbraw/zinc/03/07/80/1040030780.db2.gz PHAGIZCSAZOKTC-UHFFFAOYSA-N -1 3 307.818 3.584 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000172882294 1040083783 /nfs/dbraw/zinc/08/37/83/1040083783.db2.gz JDPHPKACQYJSGQ-UHFFFAOYSA-N -1 3 310.806 3.659 20 0 DHADHM O=C([O-])[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(O)cc1 ZINC000417561789 334982086 /nfs/dbraw/zinc/98/20/86/334982086.db2.gz BUBKYZSCOCFWDH-GOSISDBHSA-N -1 3 311.381 3.575 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)c(F)cc1Cl ZINC000006505198 181346843 /nfs/dbraw/zinc/34/68/43/181346843.db2.gz IYMSHIVGQHONTI-UHFFFAOYSA-N -1 3 315.732 3.599 20 0 DHADHM COc1cc(F)cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417590060 334999784 /nfs/dbraw/zinc/99/97/84/334999784.db2.gz BEHJSECXUDDJEF-KRWDZBQOSA-N -1 3 317.360 3.530 20 0 DHADHM Cc1c(F)cccc1-c1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)o1 ZINC000417616317 335009393 /nfs/dbraw/zinc/00/93/93/335009393.db2.gz HDLFMKOKTHKDEX-STQMWFEESA-N -1 3 315.344 3.513 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000094124587 335010073 /nfs/dbraw/zinc/01/00/73/335010073.db2.gz XQPDURCOVFSRDN-NSHDSACASA-N -1 3 318.442 3.861 20 0 DHADHM O=C([O-])[C@@H]1C[C@@H](NCc2cc(Cl)cs2)c2ccccc21 ZINC000417629475 335018678 /nfs/dbraw/zinc/01/86/78/335018678.db2.gz QHQJJGGCBNUKFU-ZIAGYGMSSA-N -1 3 307.802 3.804 20 0 DHADHM CCc1cccc(F)c1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417623372 335018144 /nfs/dbraw/zinc/01/81/44/335018144.db2.gz JPIGKLGUXQRYGX-CRAIPNDOSA-N -1 3 313.372 3.791 20 0 DHADHM CC(C)c1ncc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417630740 335018924 /nfs/dbraw/zinc/01/89/24/335018924.db2.gz RHLCVPZPUBTWDF-CABCVRRESA-N -1 3 316.426 3.669 20 0 DHADHM CC[C@H](CCC(=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000417631807 335019839 /nfs/dbraw/zinc/01/98/39/335019839.db2.gz YFNVIEKQNLFZPQ-CYBMUJFWSA-N -1 3 304.415 3.543 20 0 DHADHM C[C@@H](CC(C)(C)NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000417631334 335020061 /nfs/dbraw/zinc/02/00/61/335020061.db2.gz DRDVWXZQMDVSEA-LBPRGKRZSA-N -1 3 318.442 3.789 20 0 DHADHM CC[C@@H](CCC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000417633224 335020572 /nfs/dbraw/zinc/02/05/72/335020572.db2.gz ZJXHTKXYDCHBSU-ZDUSSCGKSA-N -1 3 303.358 3.805 20 0 DHADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000417636804 335021537 /nfs/dbraw/zinc/02/15/37/335021537.db2.gz YJJGRYAYEBVXJY-UXHICEINSA-N -1 3 321.420 3.968 20 0 DHADHM O=C([N-]c1c(F)cccc1F)c1nc(Cl)ccc1Cl ZINC000020298617 182204113 /nfs/dbraw/zinc/20/41/13/182204113.db2.gz HUGXFXFNXJXHBK-UHFFFAOYSA-N -1 3 303.095 3.919 20 0 DHADHM CC(C)(C)c1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417635180 335023175 /nfs/dbraw/zinc/02/31/75/335023175.db2.gz WBNOVDIPHFRQMC-CYBMUJFWSA-N -1 3 317.351 3.727 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000021913644 182298300 /nfs/dbraw/zinc/29/83/00/182298300.db2.gz VPMYPAAMGGFLNN-JTQLQIEISA-N -1 3 320.186 3.646 20 0 DHADHM C[C@H](CC(C)(C)NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000417640197 335025827 /nfs/dbraw/zinc/02/58/27/335025827.db2.gz WRACNEFEGZUSAC-SNVBAGLBSA-N -1 3 324.471 3.851 20 0 DHADHM CC[C@@H](CCNCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417651138 335027910 /nfs/dbraw/zinc/02/79/10/335027910.db2.gz OOBVDORBAOLKTO-VIFPVBQESA-N -1 3 323.742 3.949 20 0 DHADHM O=C([O-])CC1(CCNCc2csc(C3CC3)n2)CCCCC1 ZINC000417652082 335028332 /nfs/dbraw/zinc/02/83/32/335028332.db2.gz QGVPHXABYBEGDV-UHFFFAOYSA-N -1 3 322.474 3.925 20 0 DHADHM CC[C@H](CCNCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000417654500 335030408 /nfs/dbraw/zinc/03/04/08/335030408.db2.gz UJSUAWLKXJQNLH-CYBMUJFWSA-N -1 3 318.442 3.709 20 0 DHADHM CSc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000417671002 335039303 /nfs/dbraw/zinc/03/93/03/335039303.db2.gz PLJGNVQNUTZTAJ-UHFFFAOYSA-N -1 3 307.440 3.766 20 0 DHADHM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc(C)cc2)s1 ZINC000272360174 130022672 /nfs/dbraw/zinc/02/26/72/130022672.db2.gz BSIHSUUPTMKIPF-NSHDSACASA-N -1 3 310.369 3.729 20 0 DHADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1C1CCCCC1 ZINC000272762586 130061893 /nfs/dbraw/zinc/06/18/93/130061893.db2.gz PCKMUGIEJHKNJA-UHFFFAOYSA-N -1 3 317.364 3.794 20 0 DHADHM CC(C)Oc1cc(F)ccc1NC([O-])=NOCCC(F)(F)F ZINC000275287704 130301933 /nfs/dbraw/zinc/30/19/33/130301933.db2.gz XJSWLLNPAIKHQD-UHFFFAOYSA-N -1 3 324.274 3.618 20 0 DHADHM CC(C)Oc1cc(F)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000275287704 130301936 /nfs/dbraw/zinc/30/19/36/130301936.db2.gz XJSWLLNPAIKHQD-UHFFFAOYSA-N -1 3 324.274 3.618 20 0 DHADHM Cc1cccnc1[C@H](NC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000277857463 130645557 /nfs/dbraw/zinc/64/55/57/130645557.db2.gz ZDHJPEJVAYDCEA-OAHLLOKOSA-N -1 3 318.804 3.876 20 0 DHADHM COc1cc(-c2noc(-c3nc(C(C)C)oc3C)n2)ccc1[O-] ZINC000284953432 131125457 /nfs/dbraw/zinc/12/54/57/131125457.db2.gz BOTYMFMRKAUJKT-UHFFFAOYSA-N -1 3 315.329 3.538 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC3(CCOCC3)CC2)c([O-])c1 ZINC000285733014 131196988 /nfs/dbraw/zinc/19/69/88/131196988.db2.gz OIXJGISWXVFVJC-UHFFFAOYSA-N -1 3 317.429 3.548 20 0 DHADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccccc2F)n1 ZINC000340265607 131308357 /nfs/dbraw/zinc/30/83/57/131308357.db2.gz SZDWOFDLNPLYFU-UHFFFAOYSA-N -1 3 317.345 3.806 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCSc2ccccc21 ZINC000340315657 131389781 /nfs/dbraw/zinc/38/97/81/131389781.db2.gz DQPAUOFYODWNSK-GFCCVEGCSA-N -1 3 303.358 3.749 20 0 DHADHM Cc1ncoc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000340326397 131434543 /nfs/dbraw/zinc/43/45/43/131434543.db2.gz HUZFPVORCRVATQ-UHFFFAOYSA-N -1 3 308.337 3.532 20 0 DHADHM CC[C@@H](C)CON=C([O-])Nc1nc(Cc2ccccc2)cs1 ZINC000297042481 131997978 /nfs/dbraw/zinc/99/79/78/131997978.db2.gz BSGJTRVITMDGPA-GFCCVEGCSA-N -1 3 319.430 3.833 20 0 DHADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000297042481 131997980 /nfs/dbraw/zinc/99/79/80/131997980.db2.gz BSGJTRVITMDGPA-GFCCVEGCSA-N -1 3 319.430 3.833 20 0 DHADHM CCOc1cc(CNCc2oc(CC)nc2C)cc(Cl)c1[O-] ZINC000297294482 132007663 /nfs/dbraw/zinc/00/76/63/132007663.db2.gz AUOUIIBMJHSLCT-UHFFFAOYSA-N -1 3 324.808 3.593 20 0 DHADHM CC[C@H](CSC)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000297383813 132013364 /nfs/dbraw/zinc/01/33/64/132013364.db2.gz DOZHJRCJWNOACG-OAHLLOKOSA-N -1 3 317.454 3.736 20 0 DHADHM CCOc1cc(CN2CCC(F)(F)[C@H](C)C2)cc(Cl)c1[O-] ZINC000297433565 132014576 /nfs/dbraw/zinc/01/45/76/132014576.db2.gz NNMZJZHZMRGYPE-SNVBAGLBSA-N -1 3 319.779 3.921 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000298709065 132075030 /nfs/dbraw/zinc/07/50/30/132075030.db2.gz TUCWXCJQUBFIIQ-LBPRGKRZSA-N -1 3 315.335 3.930 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1ccc(F)c(Cl)c1Cl ZINC000417708892 335066750 /nfs/dbraw/zinc/06/67/50/335066750.db2.gz SFFLAOPALCDXAU-NSHDSACASA-N -1 3 320.191 3.866 20 0 DHADHM Cc1cncnc1-c1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000353806783 335085478 /nfs/dbraw/zinc/08/54/78/335085478.db2.gz JRDSCLDJZSSPRG-UHFFFAOYSA-N -1 3 317.761 3.698 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000184754639 335087827 /nfs/dbraw/zinc/08/78/27/335087827.db2.gz TYXMBCJYFUYSJR-GUYCJALGSA-N -1 3 310.397 3.573 20 0 DHADHM CCc1cc([N-]C(=O)c2cnc(-c3ccccc3F)s2)no1 ZINC000606887102 435343048 /nfs/dbraw/zinc/34/30/48/435343048.db2.gz CTUQUVGAKRZUPM-UHFFFAOYSA-N -1 3 317.345 3.752 20 0 DHADHM CCc1cc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)no1 ZINC000606889942 435343483 /nfs/dbraw/zinc/34/34/83/435343483.db2.gz MPWITWKBBBOQHS-UHFFFAOYSA-N -1 3 323.761 3.859 20 0 DHADHM CCc1nnc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)o1 ZINC000175799705 332907793 /nfs/dbraw/zinc/90/77/93/332907793.db2.gz HZWSMELEAHIADB-UHFFFAOYSA-N -1 3 323.352 3.565 20 0 DHADHM O=C(C=Cc1cccc([O-])c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000180128808 331561924 /nfs/dbraw/zinc/56/19/24/331561924.db2.gz XNKYKJHZRUWXML-JXMROGBWSA-N -1 3 307.349 3.563 20 0 DHADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000180742671 331576859 /nfs/dbraw/zinc/57/68/59/331576859.db2.gz TYHYWGZPPBWGQA-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188413489 331608600 /nfs/dbraw/zinc/60/86/00/331608600.db2.gz FRAMOQWTPWTCDG-ZIAGYGMSSA-N -1 3 323.392 3.636 20 0 DHADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])n1cccc1 ZINC000530917556 331635275 /nfs/dbraw/zinc/63/52/75/331635275.db2.gz SVDJQYNLRHTFTN-JTQLQIEISA-N -1 3 323.190 3.546 20 0 DHADHM C[C@H](CC(=O)Nc1cc(Br)ccc1[O-])n1cccc1 ZINC000530917560 331635372 /nfs/dbraw/zinc/63/53/72/331635372.db2.gz SVDJQYNLRHTFTN-SNVBAGLBSA-N -1 3 323.190 3.546 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc([O-])c1F ZINC000556554240 331715485 /nfs/dbraw/zinc/71/54/85/331715485.db2.gz FUOKRDFIJGHFEF-UHFFFAOYSA-N -1 3 303.264 3.977 20 0 DHADHM CCOC(=O)c1sc(/C=C\c2ccc([O-])c(F)c2)nc1C ZINC000255265900 331726503 /nfs/dbraw/zinc/72/65/03/331726503.db2.gz JXKWQBJJVBOYLE-ALCCZGGFSA-N -1 3 307.346 3.643 20 0 DHADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000557678871 331807827 /nfs/dbraw/zinc/80/78/27/331807827.db2.gz AJDMHWFNMYFPRN-SFHVURJKSA-N -1 3 324.424 3.550 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1[O-] ZINC000569391041 332074143 /nfs/dbraw/zinc/07/41/43/332074143.db2.gz BCJYWRYXYVQBBM-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC4(CC4)CC3)nc2)n1 ZINC000518669176 332123185 /nfs/dbraw/zinc/12/31/85/332123185.db2.gz AMPRDPKMOQVFLJ-UHFFFAOYSA-N -1 3 324.428 3.941 20 0 DHADHM Cc1ccc([C@@H](CC(=O)[O-])NC/C=C/c2ccc(F)cc2)o1 ZINC000426776682 332123322 /nfs/dbraw/zinc/12/33/22/332123322.db2.gz HBTPFJNAMFDFNT-XYBNCVKDSA-N -1 3 303.333 3.546 20 0 DHADHM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426805054 332155481 /nfs/dbraw/zinc/15/54/81/332155481.db2.gz YKTWBXNOCPMWHY-ZDUSSCGKSA-N -1 3 324.833 3.719 20 0 DHADHM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1C ZINC000426806854 332155647 /nfs/dbraw/zinc/15/56/47/332155647.db2.gz LKCXNABRBJKETE-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426829014 332155932 /nfs/dbraw/zinc/15/59/32/332155932.db2.gz NKPXGAPATYTTLY-INIZCTEOSA-N -1 3 319.426 3.843 20 0 DHADHM CC1(C)C[C@@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426838881 332156750 /nfs/dbraw/zinc/15/67/50/332156750.db2.gz WPAYPXKOBACFLP-MRVPVSSYSA-N -1 3 309.822 3.568 20 0 DHADHM CCCSC[C@@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000426818584 332157509 /nfs/dbraw/zinc/15/75/09/332157509.db2.gz SFCFEQCOEQVZEC-CYBMUJFWSA-N -1 3 309.456 3.587 20 0 DHADHM CCC[C@H](C)C[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426821165 332157560 /nfs/dbraw/zinc/15/75/60/332157560.db2.gz QLMUNSFBHXTYGT-HZMBPMFUSA-N -1 3 301.789 3.848 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000426947041 332162934 /nfs/dbraw/zinc/16/29/34/332162934.db2.gz BIVNSSAZLQNWDR-KGLIPLIRSA-N -1 3 303.308 3.688 20 0 DHADHM C[C@@H]1CC[C@@H](C)N(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000569611618 332205627 /nfs/dbraw/zinc/20/56/27/332205627.db2.gz ITBRTTOOBAZHLU-CHWSQXEVSA-N -1 3 314.385 3.660 20 0 DHADHM O=C(/C=C\c1ccc2ccccc2n1)Nc1cccc([O-])c1F ZINC000255008754 332266950 /nfs/dbraw/zinc/26/69/50/332266950.db2.gz PEUCNHHOSXKLCR-KHPPLWFESA-N -1 3 308.312 3.731 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000123777021 332282960 /nfs/dbraw/zinc/28/29/60/332282960.db2.gz RHQLGDYJJDCAGI-MRXNPFEDSA-N -1 3 315.344 3.517 20 0 DHADHM CC(C)(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000560036907 332304744 /nfs/dbraw/zinc/30/47/44/332304744.db2.gz YIZSSCGZRXVDCT-LLVKDONJSA-N -1 3 309.715 3.752 20 0 DHADHM CN[C@H](CC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000387541537 332337928 /nfs/dbraw/zinc/33/79/28/332337928.db2.gz PCMHGAJQKQKMHW-LLVKDONJSA-N -1 3 319.232 3.662 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1[O-] ZINC000560456841 332340861 /nfs/dbraw/zinc/34/08/61/332340861.db2.gz IADDFIIYUZWJOT-PWSUYJOCSA-N -1 3 315.335 3.758 20 0 DHADHM Cc1cc(-c2nnco2)ccc1NCc1c(F)ccc([O-])c1F ZINC000560464800 332342013 /nfs/dbraw/zinc/34/20/13/332342013.db2.gz XUCRVTNZWNUVBW-UHFFFAOYSA-N -1 3 317.295 3.641 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560598917 332367555 /nfs/dbraw/zinc/36/75/55/332367555.db2.gz ZBAUWKIEMZBTIY-HTQZYQBOSA-N -1 3 307.699 3.963 20 0 DHADHM O=C(Cc1coc2ccccc12)N1CCCc2cccc([O-])c21 ZINC000560618200 332370479 /nfs/dbraw/zinc/37/04/79/332370479.db2.gz XOOMFACXOGTIHG-UHFFFAOYSA-N -1 3 307.349 3.660 20 0 DHADHM CCc1cccc(C(=O)N2CCC=C(c3ccccc3)C2)c1[O-] ZINC000560825263 332389005 /nfs/dbraw/zinc/38/90/05/332389005.db2.gz LONSUUNWXOQSJX-UHFFFAOYSA-N -1 3 307.393 3.884 20 0 DHADHM CCc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1[O-] ZINC000561163136 332418751 /nfs/dbraw/zinc/41/87/51/332418751.db2.gz HKSWSNMKKZQSPS-UHFFFAOYSA-N -1 3 309.818 3.642 20 0 DHADHM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cccc([O-])c1 ZINC000427839921 332535273 /nfs/dbraw/zinc/53/52/73/332535273.db2.gz MKJYAUBTVMXYQG-UHFFFAOYSA-N -1 3 313.319 3.777 20 0 DHADHM CC(C)c1cc(C(=O)N2CCC[C@H](O)[C@H]2C)c([O-])c(C(C)C)c1 ZINC000408462519 332561728 /nfs/dbraw/zinc/56/17/28/332561728.db2.gz DOMVHNUEJOLFKM-DYVFJYSZSA-N -1 3 319.445 3.624 20 0 DHADHM CCN(C(=O)c1c[n-]c(C(=O)OC)c1)c1cccc2ccccc21 ZINC000562427164 332591714 /nfs/dbraw/zinc/59/17/14/332591714.db2.gz LTKRBDVNMAJTIW-UHFFFAOYSA-N -1 3 322.364 3.621 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2OCC(F)F)c1 ZINC000151763136 332613008 /nfs/dbraw/zinc/61/30/08/332613008.db2.gz GWPQZQCKXOQALT-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM O=C(c1nccc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000170873077 332638571 /nfs/dbraw/zinc/63/85/71/332638571.db2.gz IPGZZYKFBARCGI-UHFFFAOYSA-N -1 3 304.349 3.533 20 0 DHADHM CS[C@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000580206208 333006694 /nfs/dbraw/zinc/00/66/94/333006694.db2.gz VMERKSGVPGGGOL-ZDUSSCGKSA-N -1 3 313.850 3.756 20 0 DHADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccnc1 ZINC000179564582 333025660 /nfs/dbraw/zinc/02/56/60/333025660.db2.gz XUQPQAOHPOPBIT-UHFFFAOYSA-N -1 3 318.376 3.655 20 0 DHADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1C ZINC000179514729 333025774 /nfs/dbraw/zinc/02/57/74/333025774.db2.gz NDJJDVRIMXKDGZ-KRWDZBQOSA-N -1 3 311.381 3.692 20 0 DHADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])c1C ZINC000179514739 333025893 /nfs/dbraw/zinc/02/58/93/333025893.db2.gz NDJJDVRIMXKDGZ-QGZVFWFLSA-N -1 3 311.381 3.692 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2ccc(-c3ncco3)cc2)c1[O-] ZINC000179883287 333026346 /nfs/dbraw/zinc/02/63/46/333026346.db2.gz ZNVJSWPODIZNQV-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1coc(C2CCCC2)n1 ZINC000580227283 333031705 /nfs/dbraw/zinc/03/17/05/333031705.db2.gz ACTUAWNOGQWTJS-UHFFFAOYSA-N -1 3 306.749 3.944 20 0 DHADHM CC[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000580319443 333146640 /nfs/dbraw/zinc/14/66/40/333146640.db2.gz LUTIJFVFVTXEED-TVQRCGJNSA-N -1 3 302.201 3.851 20 0 DHADHM Cc1oc(CN(C)[C@H](C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000580319553 333146784 /nfs/dbraw/zinc/14/67/84/333146784.db2.gz PIAMCIVSSNHTEY-CYBMUJFWSA-N -1 3 301.386 3.658 20 0 DHADHM CC(C)(C)Oc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000182022166 333148394 /nfs/dbraw/zinc/14/83/94/333148394.db2.gz UZLSTHZWBBIGSQ-CMDGGOBGSA-N -1 3 312.369 3.616 20 0 DHADHM Cc1cccc([O-])c1NC(=O)COc1ccc(Cl)c(F)c1 ZINC000497156958 333180759 /nfs/dbraw/zinc/18/07/59/333180759.db2.gz HNPYROKXRZVMFH-UHFFFAOYSA-N -1 3 309.724 3.511 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CC2CC2)c1Cl ZINC000497227324 333224569 /nfs/dbraw/zinc/22/45/69/333224569.db2.gz IIDPAHDEXFCKFP-SECBINFHSA-N -1 3 322.257 3.769 20 0 DHADHM CCC[C@H](NC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000503648175 333228720 /nfs/dbraw/zinc/22/87/20/333228720.db2.gz IQSAFPXKENCDNO-NSHDSACASA-N -1 3 319.232 3.804 20 0 DHADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccc(Cl)cc1Cl ZINC000492474967 333299820 /nfs/dbraw/zinc/29/98/20/333299820.db2.gz QCPHPIOLXCTQFZ-RJRFIUFISA-N -1 3 309.152 3.746 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000497939395 333312199 /nfs/dbraw/zinc/31/21/99/333312199.db2.gz PRJMYAMEIJOJCO-JTQLQIEISA-N -1 3 323.792 3.505 20 0 DHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000497958976 333315265 /nfs/dbraw/zinc/31/52/65/333315265.db2.gz JMVMYJWMXLYQEA-UHFFFAOYSA-N -1 3 317.410 3.585 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@]12CCCc1ccccc12 ZINC000531373986 333346994 /nfs/dbraw/zinc/34/69/94/333346994.db2.gz RVYGQZVFZBQLDA-KXBFYZLASA-N -1 3 311.356 3.764 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc(Br)o3)no2)c1[O-] ZINC000184876939 333367645 /nfs/dbraw/zinc/36/76/45/333367645.db2.gz WPYCMLOVQNWDOI-UHFFFAOYSA-N -1 3 321.130 3.773 20 0 DHADHM Cc1oc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000521414076 333374756 /nfs/dbraw/zinc/37/47/56/333374756.db2.gz PSAXJTCUFJHWIT-FZMZJTMJSA-N -1 3 317.360 3.803 20 0 DHADHM O=C([O-])c1ccccc1CCNCc1ccc(F)cc1Cl ZINC000228492516 333387233 /nfs/dbraw/zinc/38/72/33/333387233.db2.gz MIHKBFOUCIDTND-UHFFFAOYSA-N -1 3 307.752 3.510 20 0 DHADHM O=C(c1cc(Cl)ccc1F)N1CCCc2cccc([O-])c21 ZINC000063063813 333389976 /nfs/dbraw/zinc/38/99/76/333389976.db2.gz OHKHIXRZJFJORN-UHFFFAOYSA-N -1 3 305.736 3.778 20 0 DHADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000152015535 333425031 /nfs/dbraw/zinc/42/50/31/333425031.db2.gz AVYHRPKDCMIXCP-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CCc1ccc(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426642481 333511038 /nfs/dbraw/zinc/51/10/38/333511038.db2.gz IVECEFXHCIXRTL-MRXNPFEDSA-N -1 3 315.413 3.655 20 0 DHADHM CCc1ccc(CNCCC[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000426642480 333511078 /nfs/dbraw/zinc/51/10/78/333511078.db2.gz IVECEFXHCIXRTL-INIZCTEOSA-N -1 3 315.413 3.655 20 0 DHADHM CC[C@@H](CNCc1ccc(Oc2ccccc2)o1)CC(=O)[O-] ZINC000426636745 333511719 /nfs/dbraw/zinc/51/17/19/333511719.db2.gz IFDNUBFKJRUUDL-CYBMUJFWSA-N -1 3 303.358 3.662 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[O-] ZINC000411264975 333647164 /nfs/dbraw/zinc/64/71/64/333647164.db2.gz VMURBIONICVARG-UHFFFAOYSA-N -1 3 318.398 3.601 20 0 DHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412217533 333739786 /nfs/dbraw/zinc/73/97/86/333739786.db2.gz XXWMDBLCJCGOOP-MLGOLLRUSA-N -1 3 303.402 3.636 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)c3cccc(O)c32)c1 ZINC000186322156 335157343 /nfs/dbraw/zinc/15/73/43/335157343.db2.gz ZQEQNAFXSNFVRT-LBPRGKRZSA-N -1 3 311.381 3.814 20 0 DHADHM CCc1ocnc1C(=O)[N-]c1sccc1C(=O)C(C)(C)C ZINC000266042292 333970488 /nfs/dbraw/zinc/97/04/88/333970488.db2.gz QHUCSAQAKDNNDX-UHFFFAOYSA-N -1 3 306.387 3.780 20 0 DHADHM Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)c([O-])c1C ZINC000436538040 333973770 /nfs/dbraw/zinc/97/37/70/333973770.db2.gz IIRADZQGLYTNDN-UHFFFAOYSA-N -1 3 301.773 3.865 20 0 DHADHM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436711441 333989687 /nfs/dbraw/zinc/98/96/87/333989687.db2.gz IBEXUHXMJRGGJV-UHFFFAOYSA-N -1 3 316.401 3.786 20 0 DHADHM CCOc1cc(CN[C@@H]2CCCC[C@H]2F)cc(Cl)c1[O-] ZINC000414514638 334003633 /nfs/dbraw/zinc/00/36/33/334003633.db2.gz RZVGZZDDDUZFBS-CHWSQXEVSA-N -1 3 301.789 3.815 20 0 DHADHM CCc1ccc(-c2nc(-c3ncccc3SC)no2)c([O-])c1 ZINC000436882197 334014616 /nfs/dbraw/zinc/01/46/16/334014616.db2.gz XUEXPACAVFKJPU-UHFFFAOYSA-N -1 3 313.382 3.789 20 0 DHADHM CCc1ccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([O-])c1 ZINC000436899639 334015785 /nfs/dbraw/zinc/01/57/85/334015785.db2.gz FCOQBGISFZSVAI-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM Cc1coc(-c2cc(NC([O-])=NOC3CCCC3)ccc2C)n1 ZINC000271878019 334028047 /nfs/dbraw/zinc/02/80/47/334028047.db2.gz YHEPJWGXSGRQHI-UHFFFAOYSA-N -1 3 315.373 3.954 20 0 DHADHM Cc1coc(-c2cc(NC(=O)[N-]OC3CCCC3)ccc2C)n1 ZINC000271878019 334028049 /nfs/dbraw/zinc/02/80/49/334028049.db2.gz YHEPJWGXSGRQHI-UHFFFAOYSA-N -1 3 315.373 3.954 20 0 DHADHM O=C([O-])c1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cc1 ZINC000414635778 334049097 /nfs/dbraw/zinc/04/90/97/334049097.db2.gz INYGKAKPUDUADI-GFCCVEGCSA-N -1 3 307.802 3.877 20 0 DHADHM O=C([O-])CCCCNCc1ccc(-c2ccccc2)cc1F ZINC000414687178 334068665 /nfs/dbraw/zinc/06/86/65/334068665.db2.gz WGFIBPJRVLJXIS-UHFFFAOYSA-N -1 3 301.361 3.837 20 0 DHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1OC ZINC000414685384 334068965 /nfs/dbraw/zinc/06/89/65/334068965.db2.gz SROGECMAXMPWID-SECBINFHSA-N -1 3 320.216 3.687 20 0 DHADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)c(OC)cc1Cl ZINC000414685414 334069029 /nfs/dbraw/zinc/06/90/29/334069029.db2.gz SVRORILJKBSQDL-VIFPVBQESA-N -1 3 320.216 3.687 20 0 DHADHM CCC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCC1 ZINC000276378689 334076708 /nfs/dbraw/zinc/07/67/08/334076708.db2.gz DCYAVFUUVGQWSB-UHFFFAOYSA-N -1 3 301.308 3.721 20 0 DHADHM CCc1ccnc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000439062231 334150573 /nfs/dbraw/zinc/15/05/73/334150573.db2.gz XDJBFYXBMHZZSG-UHFFFAOYSA-N -1 3 310.275 3.621 20 0 DHADHM CCCN(CC(F)F)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294659044 334211905 /nfs/dbraw/zinc/21/19/05/334211905.db2.gz VGHZSQZPPGYXAS-UHFFFAOYSA-N -1 3 321.367 3.982 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000110486779 334276338 /nfs/dbraw/zinc/27/63/38/334276338.db2.gz ZKFMUWHOUQODGN-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM O=C(NCCc1cccc(Cl)c1Cl)c1ccccc1[O-] ZINC000048607158 334295258 /nfs/dbraw/zinc/29/52/58/334295258.db2.gz ZDDZUARWHBJHKY-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM CCc1ncc(C(=O)[N-]c2nnc(C(CC)CC)s2)s1 ZINC000049159267 334322745 /nfs/dbraw/zinc/32/27/45/334322745.db2.gz YZBPVSGRVRZCNV-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM CCCCC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000049336339 334325917 /nfs/dbraw/zinc/32/59/17/334325917.db2.gz JXNRZDNWIQKFPC-UHFFFAOYSA-N -1 3 301.477 3.775 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000049931992 334361186 /nfs/dbraw/zinc/36/11/86/334361186.db2.gz KVBCQKLQYKDLPA-SNVBAGLBSA-N -1 3 305.761 3.545 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000341355469 334440132 /nfs/dbraw/zinc/44/01/32/334440132.db2.gz LBJNKDZOTCRZQN-HZPDHXFCSA-N -1 3 304.349 3.683 20 0 DHADHM C[C@H](NCc1cc(=O)c([O-])co1)c1cccc(Cl)c1Cl ZINC000341838946 334486255 /nfs/dbraw/zinc/48/62/55/334486255.db2.gz IWASRSAKKNRLKH-QMMMGPOBSA-N -1 3 314.168 3.503 20 0 DHADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccnc(C2CC2)n1 ZINC000342075667 334507133 /nfs/dbraw/zinc/50/71/33/334507133.db2.gz MXJBGIAWGIYNCI-UHFFFAOYSA-N -1 3 309.703 3.538 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(OC2CCC2)c1 ZINC000342079859 334507567 /nfs/dbraw/zinc/50/75/67/334507567.db2.gz HZJZGXMXJLIPMP-UHFFFAOYSA-N -1 3 318.760 3.624 20 0 DHADHM Cc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c([O-])c1C ZINC000443402483 338450865 /nfs/dbraw/zinc/45/08/65/338450865.db2.gz YXPUWMQNCOGVNR-UHFFFAOYSA-N -1 3 317.429 3.573 20 0 DHADHM CCc1noc(C)c1C(=O)[N-]c1c(OC)cccc1SC ZINC000416121282 334652388 /nfs/dbraw/zinc/65/23/88/334652388.db2.gz KEYHJIGUILSOJQ-UHFFFAOYSA-N -1 3 306.387 3.528 20 0 DHADHM CC(C)(C)c1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000048818679 334740643 /nfs/dbraw/zinc/74/06/43/334740643.db2.gz JJAYUENEQKINAH-UHFFFAOYSA-N -1 3 313.785 3.880 20 0 DHADHM CC[C@@H]1CCc2nc([N-]c3ncnc4ccncc43)sc2C1 ZINC000328649544 334745609 /nfs/dbraw/zinc/74/56/09/334745609.db2.gz IRXQHPVEMQLZLI-SNVBAGLBSA-N -1 3 311.414 3.740 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1C ZINC000189746063 334910049 /nfs/dbraw/zinc/91/00/49/334910049.db2.gz OJFKGBHJJJCTGW-UHFFFAOYSA-N -1 3 301.820 3.819 20 0 DHADHM O=C([N-]c1ccsc1Cl)c1ncsc1Br ZINC000343741850 335189796 /nfs/dbraw/zinc/18/97/96/335189796.db2.gz HZSAPIJCYKPARQ-UHFFFAOYSA-N -1 3 323.624 3.873 20 0 DHADHM COc1cccc2c1[C@H](C(=O)Nc1ccc(Cl)cc1[O-])CC2 ZINC000343889586 335203986 /nfs/dbraw/zinc/20/39/86/335203986.db2.gz RZJXWAATYHLPPT-GFCCVEGCSA-N -1 3 317.772 3.723 20 0 DHADHM CC(C)Sc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000344051058 335213197 /nfs/dbraw/zinc/21/31/97/335213197.db2.gz FTKOTIANXVSJKP-UHFFFAOYSA-N -1 3 317.414 3.609 20 0 DHADHM Cc1c(NC(=O)c2ccc(C)c(C)c2[O-])cnn1C1CCCC1 ZINC000444497885 338474333 /nfs/dbraw/zinc/47/43/33/338474333.db2.gz WWZHLZKUBLSAHX-UHFFFAOYSA-N -1 3 313.401 3.881 20 0 DHADHM COc1cc(F)c([N-]C(=O)c2ccc(F)c(F)c2F)cc1F ZINC000344540168 335256073 /nfs/dbraw/zinc/25/60/73/335256073.db2.gz OTGBXUYPWNNKAU-UHFFFAOYSA-N -1 3 317.213 3.643 20 0 DHADHM CN(Cc1cccs1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344556813 335258208 /nfs/dbraw/zinc/25/82/08/335258208.db2.gz XSFGDHJHIJUXMG-UHFFFAOYSA-N -1 3 307.390 3.574 20 0 DHADHM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000457656811 335295341 /nfs/dbraw/zinc/29/53/41/335295341.db2.gz CZDWKWSUFSXBOG-LURJTMIESA-N -1 3 315.213 3.938 20 0 DHADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1F ZINC000345702003 335348558 /nfs/dbraw/zinc/34/85/58/335348558.db2.gz FFSIIOSPSUUFMI-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1F ZINC000345702003 335348559 /nfs/dbraw/zinc/34/85/59/335348559.db2.gz FFSIIOSPSUUFMI-UHFFFAOYSA-N -1 3 310.288 3.834 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)n1 ZINC000345921842 335365709 /nfs/dbraw/zinc/36/57/09/335365709.db2.gz FGEJAMNEIFHCHE-UHFFFAOYSA-N -1 3 319.723 3.622 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)ccc2[n-]1 ZINC000346162270 335383655 /nfs/dbraw/zinc/38/36/55/335383655.db2.gz YUJPZKKWYNVKEK-MLGOLLRUSA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2[n-]1 ZINC000346162270 335383656 /nfs/dbraw/zinc/38/36/56/335383656.db2.gz YUJPZKKWYNVKEK-MLGOLLRUSA-N -1 3 315.417 3.612 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)CC3CCCCC3)ccc2[n-]1 ZINC000346165543 335384311 /nfs/dbraw/zinc/38/43/11/335384311.db2.gz VCARUDQIKUOYBG-UHFFFAOYSA-N -1 3 315.417 3.614 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)CC3CCCCC3)cc2[n-]1 ZINC000346165543 335384313 /nfs/dbraw/zinc/38/43/13/335384313.db2.gz VCARUDQIKUOYBG-UHFFFAOYSA-N -1 3 315.417 3.614 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c1cccc2F ZINC000346249133 335394352 /nfs/dbraw/zinc/39/43/52/335394352.db2.gz IFDNXXXRKNPRKO-UHFFFAOYSA-N -1 3 317.335 3.582 20 0 DHADHM Cc1nc(-c2ccc(CNCc3cc([O-])cc(F)c3)o2)cs1 ZINC000349614410 335685408 /nfs/dbraw/zinc/68/54/08/335685408.db2.gz UBEPBMMBXOSGBR-UHFFFAOYSA-N -1 3 318.373 3.846 20 0 DHADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000519253393 335822183 /nfs/dbraw/zinc/82/21/83/335822183.db2.gz PEJBBFWZRSTECE-GFCCVEGCSA-N -1 3 323.380 3.808 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc(-c3cnco3)cc2)c1[O-] ZINC000536684849 335861769 /nfs/dbraw/zinc/86/17/69/335861769.db2.gz JVOMJPOOCJYCHY-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM COc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1[O-] ZINC000116089544 335878239 /nfs/dbraw/zinc/87/82/39/335878239.db2.gz AWYIAFPCUNYOCX-CYBMUJFWSA-N -1 3 305.418 3.689 20 0 DHADHM CC(C)CC(CC(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000351598332 336048387 /nfs/dbraw/zinc/04/83/87/336048387.db2.gz JFMAXCUXFVMLOL-UHFFFAOYSA-N -1 3 314.429 3.719 20 0 DHADHM COc1ccccc1[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351645126 336054802 /nfs/dbraw/zinc/05/48/02/336054802.db2.gz VEOHTRURKLOYBI-LBPRGKRZSA-N -1 3 319.351 3.669 20 0 DHADHM Cn1ccc2cccc(NC(=O)c3cn[n-]c3-c3ccsc3)c21 ZINC000351746097 336064309 /nfs/dbraw/zinc/06/43/09/336064309.db2.gz QAECEDWVRWZUJR-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM Cn1ccc2cccc(NC(=O)c3c[n-]nc3-c3ccsc3)c21 ZINC000351746097 336064311 /nfs/dbraw/zinc/06/43/11/336064311.db2.gz QAECEDWVRWZUJR-UHFFFAOYSA-N -1 3 322.393 3.882 20 0 DHADHM Cc1csc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000331755686 336147496 /nfs/dbraw/zinc/14/74/96/336147496.db2.gz DLQJGTJOAKWYJP-NSHDSACASA-N -1 3 316.426 3.630 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccco2)cc1[O-] ZINC000331915980 336152827 /nfs/dbraw/zinc/15/28/27/336152827.db2.gz JGDKGHBGEBZNQZ-OAHLLOKOSA-N -1 3 313.353 3.555 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)nn1C(C)C ZINC000331942713 336153773 /nfs/dbraw/zinc/15/37/73/336153773.db2.gz GTGHMFZNRBBBFC-GFCCVEGCSA-N -1 3 313.401 3.632 20 0 DHADHM Cc1nc([C@@H]2CCCN(Cc3cc([O-])cc(F)c3)C2)sc1C ZINC000351997960 336187097 /nfs/dbraw/zinc/18/70/97/336187097.db2.gz WWDYVVMNXNVNPG-CQSZACIVSA-N -1 3 320.433 3.984 20 0 DHADHM Cc1cc(=O)[n-]c(C=Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000352034953 336190900 /nfs/dbraw/zinc/19/09/00/336190900.db2.gz JYJXQBITHZRBLU-QPJJXVBHSA-N -1 3 319.364 3.635 20 0 DHADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1cc(C2CC2)no1 ZINC000333030144 336196958 /nfs/dbraw/zinc/19/69/58/336196958.db2.gz HHJLBJIDXSXZDM-UHFFFAOYSA-N -1 3 317.414 3.920 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@H]1c1ccncc1 ZINC000333120309 336198367 /nfs/dbraw/zinc/19/83/67/336198367.db2.gz ZSFQDWHQJKUTJM-SFHVURJKSA-N -1 3 322.408 3.643 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC[C@@H]1c1ccncc1 ZINC000333120306 336198385 /nfs/dbraw/zinc/19/83/85/336198385.db2.gz ZSFQDWHQJKUTJM-GOSISDBHSA-N -1 3 322.408 3.643 20 0 DHADHM O=c1[n-]c(CN2CCC[C@H]3CCC[C@@H]32)nc2c3ccccc3oc21 ZINC000333430695 336203499 /nfs/dbraw/zinc/20/34/99/336203499.db2.gz HLPIGUNSDRDLOG-OCCSQVGLSA-N -1 3 323.396 3.846 20 0 DHADHM Cc1c([N-]C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)onc1C1CCCCC1 ZINC000333909548 336212281 /nfs/dbraw/zinc/21/22/81/336212281.db2.gz WMNUGFKCIIOJNA-ZIBATOQPSA-N -1 3 306.406 3.783 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c([O-])c1 ZINC000029846908 336226118 /nfs/dbraw/zinc/22/61/18/336226118.db2.gz ZAWOMAAHKGEKFO-JTQLQIEISA-N -1 3 305.399 3.570 20 0 DHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC000042373326 336239914 /nfs/dbraw/zinc/23/99/14/336239914.db2.gz PPFRIKNUZOCEEW-QMMMGPOBSA-N -1 3 311.790 3.607 20 0 DHADHM CC(=O)Nc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1C ZINC000352809560 336244325 /nfs/dbraw/zinc/24/43/25/336244325.db2.gz HYLWBDZDJIESQC-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cc(F)ccc3C)cc2[n-]1 ZINC000468863460 336261261 /nfs/dbraw/zinc/26/12/61/336261261.db2.gz HBABGPKIKFPPIL-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cc(F)ccc3C)ccc2[n-]1 ZINC000468863460 336261262 /nfs/dbraw/zinc/26/12/62/336261262.db2.gz HBABGPKIKFPPIL-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC000192781285 336261656 /nfs/dbraw/zinc/26/16/56/336261656.db2.gz YZDLXRRLTHOXLZ-GHMZBOCLSA-N -1 3 320.462 3.656 20 0 DHADHM Cc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(C)c1O ZINC000182620688 336275691 /nfs/dbraw/zinc/27/56/91/336275691.db2.gz CQHPCIFZMDSVSP-UHFFFAOYSA-N -1 3 305.761 3.549 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC[C@@H]3C)nc2)n1 ZINC000301172296 336293193 /nfs/dbraw/zinc/29/31/93/336293193.db2.gz KIPMMWVRMYRJHD-WFASDCNBSA-N -1 3 312.417 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC3(C)C)nc2)n1 ZINC000301552670 336314418 /nfs/dbraw/zinc/31/44/18/336314418.db2.gz MPUAFOPDHCEWCI-CQSZACIVSA-N -1 3 312.417 3.797 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H]4CCCC[C@@H]43)nc2)n1 ZINC000301563023 336315162 /nfs/dbraw/zinc/31/51/62/336315162.db2.gz JOLYNMSQWGSNHS-BBRMVZONSA-N -1 3 324.428 3.576 20 0 DHADHM COc1c(F)cc(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000352912704 336376607 /nfs/dbraw/zinc/37/66/07/336376607.db2.gz KJISDGFVPBEGLV-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM O=C([N-]c1nnc(C(F)F)s1)c1sccc1C1CC1 ZINC000354268464 336465016 /nfs/dbraw/zinc/46/50/16/336465016.db2.gz WRFLQCJLQRWUBI-UHFFFAOYSA-N -1 3 301.343 3.667 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)ccc1[O-] ZINC000354358379 336468111 /nfs/dbraw/zinc/46/81/11/336468111.db2.gz SRUYYHQRIAULNR-CQSZACIVSA-N -1 3 317.385 3.807 20 0 DHADHM O=C(C[C@H]1C[C@@H]1c1ccccc1)N1CCCc2cccc([O-])c21 ZINC000354421243 336470194 /nfs/dbraw/zinc/47/01/94/336470194.db2.gz CEALEOBZEKRGGE-IAGOWNOFSA-N -1 3 307.393 3.865 20 0 DHADHM C[C@@]1(NC(=O)Cc2ccc([O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000356496972 336552089 /nfs/dbraw/zinc/55/20/89/336552089.db2.gz VSVGCARHSFAARD-MAUKXSAKSA-N -1 3 315.800 3.651 20 0 DHADHM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cccc([O-])c1 ZINC000357291813 336579582 /nfs/dbraw/zinc/57/95/82/336579582.db2.gz QZNIRPPFQJYVER-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc([O-])c1 ZINC000357364335 336582539 /nfs/dbraw/zinc/58/25/39/336582539.db2.gz MDHAAEXQBXIVAX-GOSISDBHSA-N -1 3 315.388 3.871 20 0 DHADHM COc1cc(C(=O)N2CCC3(CCCCC3)CC2)ccc1[O-] ZINC000357602668 336592064 /nfs/dbraw/zinc/59/20/64/336592064.db2.gz HHLJQWPNNGOPRW-UHFFFAOYSA-N -1 3 303.402 3.587 20 0 DHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc([O-])c1)[C@H]2C ZINC000359539837 336676776 /nfs/dbraw/zinc/67/67/76/336676776.db2.gz XEWDZVMKVUPJEL-STQMWFEESA-N -1 3 311.381 3.549 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000360633443 336716724 /nfs/dbraw/zinc/71/67/24/336716724.db2.gz BYXMSEXTFSNVQU-AWEZNQCLSA-N -1 3 301.773 3.675 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000116978629 336850447 /nfs/dbraw/zinc/85/04/47/336850447.db2.gz YANHNXYUTPJHOH-UHFFFAOYSA-N -1 3 303.745 3.809 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CSc2ccccc21 ZINC000118494924 336868438 /nfs/dbraw/zinc/86/84/38/336868438.db2.gz ZJCABKJHBRNEFU-NSHDSACASA-N -1 3 305.786 3.874 20 0 DHADHM CN(C(=O)c1cccc([O-])c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000373303602 336955932 /nfs/dbraw/zinc/95/59/32/336955932.db2.gz PVGBTYWDJHFVLK-IBGZPJMESA-N -1 3 318.376 3.649 20 0 DHADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1Cc1ccccc1 ZINC000122339521 337004647 /nfs/dbraw/zinc/00/46/47/337004647.db2.gz ZZYDRMQFWFWSLW-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CC[C@H]1CN(C(=O)c2csc(=O)[n-]2)CC[C@@H]1c1ccccc1 ZINC000376146524 337028312 /nfs/dbraw/zinc/02/83/12/337028312.db2.gz DZQWKRSPMRAGFG-JSGCOSHPSA-N -1 3 316.426 3.505 20 0 DHADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2csc(=O)[n-]2)cc1 ZINC000376715727 337039942 /nfs/dbraw/zinc/03/99/42/337039942.db2.gz NRXALXWAYXWHPU-UKRRQHHQSA-N -1 3 316.426 3.565 20 0 DHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000426752995 337045044 /nfs/dbraw/zinc/04/50/44/337045044.db2.gz BUFVFWHZJAHZOP-ACJLOTCBSA-N -1 3 309.365 3.984 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000377138926 337047531 /nfs/dbraw/zinc/04/75/31/337047531.db2.gz LPOPLZOIGNPKNM-HNNXBMFYSA-N -1 3 317.410 3.686 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC000173355501 337134917 /nfs/dbraw/zinc/13/49/17/337134917.db2.gz GNIOZUIHXHHVAZ-IUODEOHRSA-N -1 3 315.369 3.607 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cn1 ZINC000445524990 337135413 /nfs/dbraw/zinc/13/54/13/337135413.db2.gz RLBVTPMTPXNSHD-UHFFFAOYSA-N -1 3 321.340 3.905 20 0 DHADHM CC(C)c1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cn1 ZINC000445524990 337135414 /nfs/dbraw/zinc/13/54/14/337135414.db2.gz RLBVTPMTPXNSHD-UHFFFAOYSA-N -1 3 321.340 3.905 20 0 DHADHM Cc1cccc([O-])c1NC(=O)CCOc1ccc(F)cc1Cl ZINC000183052616 337153183 /nfs/dbraw/zinc/15/31/83/337153183.db2.gz YKWGHIPNEWRBIM-UHFFFAOYSA-N -1 3 323.751 3.901 20 0 DHADHM CCc1cnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000177901581 337158978 /nfs/dbraw/zinc/15/89/78/337158978.db2.gz FWEKAKBVHCBLBM-UHFFFAOYSA-N -1 3 304.268 3.514 20 0 DHADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cc2ccccc2o1 ZINC000178265074 337161911 /nfs/dbraw/zinc/16/19/11/337161911.db2.gz BMSSMGWQLUWNTD-NSHDSACASA-N -1 3 313.328 3.697 20 0 DHADHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc([O-])c1 ZINC000182123834 337186615 /nfs/dbraw/zinc/18/66/15/337186615.db2.gz HWHGADHGJPRRKG-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM O=C(NCc1ccccc1OC1CCCC1)c1cccc([O-])c1 ZINC000182129202 337186811 /nfs/dbraw/zinc/18/68/11/337186811.db2.gz SQDRBSOGYCMGOJ-UHFFFAOYSA-N -1 3 311.381 3.644 20 0 DHADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc([O-])cc1F ZINC000183252254 337192651 /nfs/dbraw/zinc/19/26/51/337192651.db2.gz MSLIZZCWEQJRDD-UHFFFAOYSA-N -1 3 313.250 3.731 20 0 DHADHM C[C@H](c1ncc(-c2ccccc2)o1)[S@@](=O)c1cccc([O-])c1 ZINC000184031237 337194716 /nfs/dbraw/zinc/19/47/16/337194716.db2.gz VMUAYNQKBGPKCZ-VERVWZFWSA-N -1 3 313.378 3.916 20 0 DHADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1cccs1 ZINC000183911200 337195438 /nfs/dbraw/zinc/19/54/38/337195438.db2.gz GVMRNYWAYKEDMP-AWEZNQCLSA-N -1 3 317.410 3.662 20 0 DHADHM [O-]c1cc(F)cc(CNCc2ccccc2Br)c1 ZINC000184141312 337196491 /nfs/dbraw/zinc/19/64/91/337196491.db2.gz BFRHVTDWARWCKR-UHFFFAOYSA-N -1 3 310.166 3.584 20 0 DHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H]2C1 ZINC000582851285 337210429 /nfs/dbraw/zinc/21/04/29/337210429.db2.gz MAQGKJCLMSAGHN-RULNRJAQSA-N -1 3 314.212 3.851 20 0 DHADHM Cc1cc(Cl)cc(C)c1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000582915960 337217525 /nfs/dbraw/zinc/21/75/25/337217525.db2.gz JPNQVNCCJPCNSI-MRXNPFEDSA-N -1 3 318.804 3.657 20 0 DHADHM CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)C1CC1 ZINC000185614531 337249600 /nfs/dbraw/zinc/24/96/00/337249600.db2.gz OPDLAYRVPQZMJY-UHFFFAOYSA-N -1 3 305.852 3.745 20 0 DHADHM CCc1onc(C)c1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000186204417 337254562 /nfs/dbraw/zinc/25/45/62/337254562.db2.gz KEBNSWCXTODYRU-UHFFFAOYSA-N -1 3 300.692 3.729 20 0 DHADHM C[C@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)c2c([O-])cccc21 ZINC000186262274 337255387 /nfs/dbraw/zinc/25/53/87/337255387.db2.gz BNTHFUFXYFPGAY-DJJJIMSYSA-N -1 3 323.392 3.546 20 0 DHADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000186423072 337256093 /nfs/dbraw/zinc/25/60/93/337256093.db2.gz FXZJXBDFUSJHHJ-KRWDZBQOSA-N -1 3 321.779 3.758 20 0 DHADHM O=C(Nc1ccc(F)c(F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188408788 337273168 /nfs/dbraw/zinc/27/31/68/337273168.db2.gz JQKHGRWHJPQSRG-UHFFFAOYSA-N -1 3 317.213 3.942 20 0 DHADHM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])ccc1C(F)(F)F ZINC000188804356 337275309 /nfs/dbraw/zinc/27/53/09/337275309.db2.gz MRGDKDUDXGPYSC-UHFFFAOYSA-N -1 3 321.258 3.540 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC000321649527 337281764 /nfs/dbraw/zinc/28/17/64/337281764.db2.gz ZQJJRZJQOVMXEN-UHFFFAOYSA-N -1 3 323.314 3.622 20 0 DHADHM O=C(Nc1cc(F)ccc1OCC1CC1)c1cccc([O-])c1 ZINC000192175500 337303655 /nfs/dbraw/zinc/30/36/55/337303655.db2.gz WLGZWWQMZFQRDM-UHFFFAOYSA-N -1 3 301.317 3.572 20 0 DHADHM CCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1[O-] ZINC000584413413 337321750 /nfs/dbraw/zinc/32/17/50/337321750.db2.gz YNWFBGPVHBNBJH-QWHCGFSZSA-N -1 3 315.335 3.806 20 0 DHADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cccc(F)c1F ZINC000109111630 337388165 /nfs/dbraw/zinc/38/81/65/337388165.db2.gz CGDAHAVIFWEBEL-UHFFFAOYSA-N -1 3 323.349 3.797 20 0 DHADHM CSc1ccccc1[N-]C(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000042882867 337408647 /nfs/dbraw/zinc/40/86/47/337408647.db2.gz ALJNEMGMINZYSI-UHFFFAOYSA-N -1 3 324.409 3.550 20 0 DHADHM [O-]c1ccc(Br)c(CN2Cc3ccccc3C2)c1 ZINC000133786251 337446602 /nfs/dbraw/zinc/44/66/02/337446602.db2.gz ZCBNOQOUJSJMTL-UHFFFAOYSA-N -1 3 304.187 3.671 20 0 DHADHM Cc1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000134165051 337447874 /nfs/dbraw/zinc/44/78/74/337447874.db2.gz LJWSNRDGTUNNPU-UHFFFAOYSA-N -1 3 316.304 3.737 20 0 DHADHM CC(C)(CC(=O)[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000565159740 337455572 /nfs/dbraw/zinc/45/55/72/337455572.db2.gz ALFSMYAKWBRCAZ-UHFFFAOYSA-N -1 3 307.777 3.943 20 0 DHADHM CC(C)O[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000572139635 337593382 /nfs/dbraw/zinc/59/33/82/337593382.db2.gz PIYMKALPCZHZNU-MRXNPFEDSA-N -1 3 303.333 3.636 20 0 DHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 ZINC000321388049 337618895 /nfs/dbraw/zinc/61/88/95/337618895.db2.gz JEAKYTHWKXFSLF-CQSZACIVSA-N -1 3 313.397 3.994 20 0 DHADHM O=C([O-])C1CCC(NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000262704928 337620712 /nfs/dbraw/zinc/62/07/12/337620712.db2.gz MFFNZVLJNPRFNZ-UHFFFAOYSA-N -1 3 315.369 3.805 20 0 DHADHM CC(C)C[C@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000263504815 337630719 /nfs/dbraw/zinc/63/07/19/337630719.db2.gz VEZYXNMUZRWSNF-GFCCVEGCSA-N -1 3 324.471 3.708 20 0 DHADHM COc1ccc2nc(-c3nc(=O)c4c(C)csc4[n-]3)ccc2c1 ZINC000080127269 337660815 /nfs/dbraw/zinc/66/08/15/337660815.db2.gz FGLGLZDBNGXFOH-UHFFFAOYSA-N -1 3 323.377 3.517 20 0 DHADHM CCOc1cc(-c2noc(-c3cc(OC)cs3)n2)ccc1[O-] ZINC000445419856 337714284 /nfs/dbraw/zinc/71/42/84/337714284.db2.gz TVSGRDFGZPOLHT-UHFFFAOYSA-N -1 3 318.354 3.578 20 0 DHADHM CCOc1cc(-c2noc(-c3ccccc3F)n2)ccc1[O-] ZINC000445427674 337728708 /nfs/dbraw/zinc/72/87/08/337728708.db2.gz QYRDIGUFRMWLOM-UHFFFAOYSA-N -1 3 300.289 3.647 20 0 DHADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533160018 337832185 /nfs/dbraw/zinc/83/21/85/337832185.db2.gz JOIGVNRBYZXEIM-CYBMUJFWSA-N -1 3 304.777 3.875 20 0 DHADHM Cc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000119488754 337861015 /nfs/dbraw/zinc/86/10/15/337861015.db2.gz AAANKDIHIGVJST-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM Cc1cc(F)c(CN[C@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000424612912 337917187 /nfs/dbraw/zinc/91/71/87/337917187.db2.gz APARGUFFXWALEK-YGRLFVJLSA-N -1 3 301.789 3.622 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(Cl)c1Cl ZINC000424618467 337924365 /nfs/dbraw/zinc/92/43/65/337924365.db2.gz KAGWSFQPHLXJID-CBAPKCEASA-N -1 3 310.246 3.890 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1ccc(F)c(Cl)c1Cl ZINC000424623784 337925926 /nfs/dbraw/zinc/92/59/26/337925926.db2.gz QBVVMPRYKZVYHH-KCJUWKMLSA-N -1 3 322.207 3.967 20 0 DHADHM Cc1cc(F)c(CNC[C@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000424628322 337927226 /nfs/dbraw/zinc/92/72/26/337927226.db2.gz WPPIOHDHPJRRIZ-AWEZNQCLSA-N -1 3 319.351 3.621 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1ncc(-c2ccccc2)s1 ZINC000424630779 337930610 /nfs/dbraw/zinc/93/06/10/337930610.db2.gz ZRFAPBHCUQLBST-LRDDRELGSA-N -1 3 318.442 3.645 20 0 DHADHM [O-]c1cccc(CNC2CCC(F)(F)CC2)c1Br ZINC000315110680 337980991 /nfs/dbraw/zinc/98/09/91/337980991.db2.gz LIBKQBWWTXMOMY-UHFFFAOYSA-N -1 3 320.177 3.822 20 0 DHADHM COc1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426527593 338033986 /nfs/dbraw/zinc/03/39/86/338033986.db2.gz BXPZQFRWOOHGSC-SNVBAGLBSA-N -1 3 323.801 3.533 20 0 DHADHM CC[C@H](CNCc1cc(Cl)cc(Cl)c1OC)CC(=O)[O-] ZINC000426629995 338036317 /nfs/dbraw/zinc/03/63/17/338036317.db2.gz GRRXGICIQQJKKX-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM O=C([O-])CC1(CNCc2cc(Cl)ccc2Cl)CCC1 ZINC000426661763 338037322 /nfs/dbraw/zinc/03/73/22/338037322.db2.gz FEDIDDOXDWIINW-UHFFFAOYSA-N -1 3 302.201 3.728 20 0 DHADHM Cc1ccc(-c2nc(CNC[C@@H](C)CCC(=O)[O-])cs2)cc1 ZINC000426661804 338037381 /nfs/dbraw/zinc/03/73/81/338037381.db2.gz FQDJTGGOMVMLMM-ZDUSSCGKSA-N -1 3 318.442 3.709 20 0 DHADHM O=C([O-])C[C@@H](NCc1ccc(Cl)c(F)c1)c1ccsc1 ZINC000426671796 338037710 /nfs/dbraw/zinc/03/77/10/338037710.db2.gz OAYFJVXVJOVJEG-CYBMUJFWSA-N -1 3 313.781 3.846 20 0 DHADHM CC[C@H](CNCc1cc(Cl)c(OC)cc1Cl)CC(=O)[O-] ZINC000426673274 338037733 /nfs/dbraw/zinc/03/77/33/338037733.db2.gz FDPSLFUTEZQLEW-VIFPVBQESA-N -1 3 320.216 3.593 20 0 DHADHM CC(C)(C)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000426676984 338037861 /nfs/dbraw/zinc/03/78/61/338037861.db2.gz IHTMVRQCVKPGSI-UHFFFAOYSA-N -1 3 311.425 3.901 20 0 DHADHM O=C([O-])c1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000426682663 338037993 /nfs/dbraw/zinc/03/79/93/338037993.db2.gz KOGSSCMNCNPFGK-UHFFFAOYSA-N -1 3 318.376 3.737 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1cc2ccccc2s1 ZINC000426692671 338038314 /nfs/dbraw/zinc/03/83/14/338038314.db2.gz UVNZYPULNKMZSY-UHFFFAOYSA-N -1 3 311.406 3.818 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000426721397 338039211 /nfs/dbraw/zinc/03/92/11/338039211.db2.gz BGSSYYKLOHJMTG-ZDUSSCGKSA-N -1 3 313.781 3.765 20 0 DHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000426721396 338039249 /nfs/dbraw/zinc/03/92/49/338039249.db2.gz BGSSYYKLOHJMTG-CYBMUJFWSA-N -1 3 313.781 3.765 20 0 DHADHM O=C([O-])[C@H](NCc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000426727946 338039515 /nfs/dbraw/zinc/03/95/15/338039515.db2.gz RNASYPDUALWCQO-MRXNPFEDSA-N -1 3 314.772 3.737 20 0 DHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000426729693 338039528 /nfs/dbraw/zinc/03/95/28/338039528.db2.gz GAFAPNKICAAROZ-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cccc([C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000426730654 338039743 /nfs/dbraw/zinc/03/97/43/338039743.db2.gz AQRMRIZVFFJAIF-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000426739440 338040055 /nfs/dbraw/zinc/04/00/55/338040055.db2.gz CGQAQFZYKUDYFV-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cccc([C@H](NCc2cccc3cccnc32)C(=O)[O-])c1C ZINC000426742478 338040247 /nfs/dbraw/zinc/04/02/47/338040247.db2.gz PKPMQETVRYMDGD-IBGZPJMESA-N -1 3 320.392 3.767 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cccc3cc[nH]c32)C(=O)[O-])c1 ZINC000426757748 338041067 /nfs/dbraw/zinc/04/10/67/338041067.db2.gz FEUUTFRBHCRINV-SFHVURJKSA-N -1 3 308.381 3.700 20 0 DHADHM CCc1ccc2nc([N-]C(=O)c3ncc(F)cc3F)sc2c1 ZINC000428334255 338047702 /nfs/dbraw/zinc/04/77/02/338047702.db2.gz BQHHGFILVNSPTG-UHFFFAOYSA-N -1 3 319.336 3.784 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCN(C3CC3)c3ccccc32)c1 ZINC000428771619 338060943 /nfs/dbraw/zinc/06/09/43/338060943.db2.gz ZCIWNOGAHNRZIO-UHFFFAOYSA-N -1 3 322.408 3.584 20 0 DHADHM O=C([N-]c1ccc(F)cc1F)c1ncsc1C(F)(F)F ZINC000431016881 338120658 /nfs/dbraw/zinc/12/06/58/338120658.db2.gz YOYYFOPPONDHKE-UHFFFAOYSA-N -1 3 308.231 3.692 20 0 DHADHM CCOc1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431626252 338134984 /nfs/dbraw/zinc/13/49/84/338134984.db2.gz UTLOCMYTHHXEAC-UHFFFAOYSA-N -1 3 319.788 3.717 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccccc1F)C1CC1 ZINC000431632988 338135129 /nfs/dbraw/zinc/13/51/29/338135129.db2.gz BKJXGXPFGJDSNU-UHFFFAOYSA-N -1 3 319.763 3.990 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000431734784 338137774 /nfs/dbraw/zinc/13/77/74/338137774.db2.gz XNNASKIOLWVEPA-HNNXBMFYSA-N -1 3 322.836 3.781 20 0 DHADHM CCOc1cccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431768729 338138434 /nfs/dbraw/zinc/13/84/34/338138434.db2.gz GICNLQJWYYSSOW-NSHDSACASA-N -1 3 319.788 3.935 20 0 DHADHM Cc1ccc(OCCCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431779592 338138658 /nfs/dbraw/zinc/13/86/58/338138658.db2.gz URHZFBDSZZSWGE-UHFFFAOYSA-N -1 3 319.788 3.553 20 0 DHADHM Cc1nc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2o1 ZINC000431922234 338141861 /nfs/dbraw/zinc/14/18/61/338141861.db2.gz ISXLFSXFRKNQBY-UHFFFAOYSA-N -1 3 302.717 3.748 20 0 DHADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])CC2 ZINC000431925007 338142001 /nfs/dbraw/zinc/14/20/01/338142001.db2.gz IXYKGCDFZBEWOM-ZDUSSCGKSA-N -1 3 317.772 3.723 20 0 DHADHM CCc1ccc([O-])c(C(=O)NCCC2CC(OC(C)(C)C)C2)c1 ZINC000432264690 338151901 /nfs/dbraw/zinc/15/19/01/338151901.db2.gz NQXIZKFDZXHXNS-UHFFFAOYSA-N -1 3 319.445 3.668 20 0 DHADHM O=C(c1cc(F)c(Cl)cc1F)N1CCCc2cccc([O-])c21 ZINC000152218206 338200607 /nfs/dbraw/zinc/20/06/07/338200607.db2.gz ZJRUICZEGBWSOT-UHFFFAOYSA-N -1 3 323.726 3.917 20 0 DHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000435733019 338246847 /nfs/dbraw/zinc/24/68/47/338246847.db2.gz RPHFUAZNCBMGQJ-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1cccc([O-])c1 ZINC000435950527 338254014 /nfs/dbraw/zinc/25/40/14/338254014.db2.gz WMETYBALXNOJRN-UHFFFAOYSA-N -1 3 319.763 3.803 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4nccnc4c3)no2)c1 ZINC000435956004 338254154 /nfs/dbraw/zinc/25/41/54/338254154.db2.gz RJZNNGJTTUTXMO-QPJJXVBHSA-N -1 3 316.320 3.556 20 0 DHADHM C[C@H]1C[C@H](C)CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000448566739 338254173 /nfs/dbraw/zinc/25/41/73/338254173.db2.gz RTGXXAVXMAMOHF-GJZGRUSLSA-N -1 3 311.425 3.983 20 0 DHADHM CSc1c(F)cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000436148573 338259589 /nfs/dbraw/zinc/25/95/89/338259589.db2.gz BVSAVDHKJLUISU-UHFFFAOYSA-N -1 3 317.385 3.846 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2ccccc2SC)c1[O-] ZINC000436486887 338273883 /nfs/dbraw/zinc/27/38/83/338273883.db2.gz JIAFZONECYHBFA-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM O=C(NCc1ccccc1OC1CCCC1)c1ccccc1[O-] ZINC000436490773 338274102 /nfs/dbraw/zinc/27/41/02/338274102.db2.gz YSDXVWHCEUBDAZ-UHFFFAOYSA-N -1 3 311.381 3.644 20 0 DHADHM Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c([O-])c1C ZINC000436528890 338275291 /nfs/dbraw/zinc/27/52/91/338275291.db2.gz YRBFSEVMUHFBLC-UHFFFAOYSA-N -1 3 307.296 3.863 20 0 DHADHM [O-]c1ccc(-c2noc(COc3ccc4c(c3)CCCC4)n2)cc1 ZINC000436529142 338275301 /nfs/dbraw/zinc/27/53/01/338275301.db2.gz AKAKDYVWIMKXEW-UHFFFAOYSA-N -1 3 322.364 3.900 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3F)no2)c1 ZINC000436530762 338275314 /nfs/dbraw/zinc/27/53/14/338275314.db2.gz FVCRUKYTIXWTSZ-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM CC(C)[C@H](C)N(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436534823 338275796 /nfs/dbraw/zinc/27/57/96/338275796.db2.gz QLTYXLDSBFRHEC-LBPRGKRZSA-N -1 3 317.429 3.755 20 0 DHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@H](c2ccccc2)C1 ZINC000436540598 338276079 /nfs/dbraw/zinc/27/60/79/338276079.db2.gz PUICVDILLMTNSO-SFHVURJKSA-N -1 3 321.420 3.901 20 0 DHADHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc2O1 ZINC000436538794 338276106 /nfs/dbraw/zinc/27/61/06/338276106.db2.gz LINZXJOJXMVWDZ-ZDUSSCGKSA-N -1 3 323.392 3.699 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nc(C(C)C)cs2)c1[O-] ZINC000436543850 338276288 /nfs/dbraw/zinc/27/62/88/338276288.db2.gz ACKBHCFXENBDOO-UHFFFAOYSA-N -1 3 306.387 3.541 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436544991 338276308 /nfs/dbraw/zinc/27/63/08/338276308.db2.gz AZKGEUNRSWGDRS-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000436544164 338276386 /nfs/dbraw/zinc/27/63/86/338276386.db2.gz BPRFXBZUVUBXPT-CMPLNLGQSA-N -1 3 301.308 3.504 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000436548577 338276499 /nfs/dbraw/zinc/27/64/99/338276499.db2.gz NFJUZHSTUDCGMV-AWEZNQCLSA-N -1 3 307.459 3.702 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)c([O-])c1C ZINC000436562182 338277118 /nfs/dbraw/zinc/27/71/18/338277118.db2.gz LVYXNGVGMIDYIX-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCc1ccc([O-])c(C(=O)N[C@H](CC)c2nc(C)cs2)c1 ZINC000436568896 338277546 /nfs/dbraw/zinc/27/75/46/338277546.db2.gz XEQLOZALNSNGOX-CYBMUJFWSA-N -1 3 304.415 3.601 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCN(C)Cc3ccccc32)c([O-])c1 ZINC000436570743 338277603 /nfs/dbraw/zinc/27/76/03/338277603.db2.gz SDBCENXVJNPVQQ-UHFFFAOYSA-N -1 3 324.424 3.608 20 0 DHADHM CN(Cc1ccc[nH]1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436579965 338278216 /nfs/dbraw/zinc/27/82/16/338278216.db2.gz WATQUVDSVOCUQO-UHFFFAOYSA-N -1 3 320.392 3.583 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1[O-] ZINC000436589275 338278659 /nfs/dbraw/zinc/27/86/59/338278659.db2.gz PNDNJDIHHFXXNP-NVXWUHKLSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c([O-])c1C ZINC000436592682 338278883 /nfs/dbraw/zinc/27/88/83/338278883.db2.gz XRNKZUUCEBVLHL-NSHDSACASA-N -1 3 315.344 3.576 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1C ZINC000436591468 338278959 /nfs/dbraw/zinc/27/89/59/338278959.db2.gz WWVNVSGSGLUELD-KRWDZBQOSA-N -1 3 309.409 3.714 20 0 DHADHM C[C@H]1[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1(F)F ZINC000436609076 338279822 /nfs/dbraw/zinc/27/98/22/338279822.db2.gz HWKXKMKDGBQHLG-SDBXPKJASA-N -1 3 302.280 3.964 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(F)cn3)n2)c2ccccc12 ZINC000436614312 338280064 /nfs/dbraw/zinc/28/00/64/338280064.db2.gz WGNVYOPIWSAHMI-UHFFFAOYSA-N -1 3 307.284 3.797 20 0 DHADHM O=C(Nc1nccs1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436614527 338280068 /nfs/dbraw/zinc/28/00/68/338280068.db2.gz YQIJEEIHAOKIOL-UHFFFAOYSA-N -1 3 310.378 3.692 20 0 DHADHM Cc1ccc(Cc2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436620562 338280294 /nfs/dbraw/zinc/28/02/94/338280294.db2.gz VZDLYHOVRJJMRA-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM CCCCCN(CCCOC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436625603 338280395 /nfs/dbraw/zinc/28/03/95/338280395.db2.gz FJBHIEMZNFJWHD-UHFFFAOYSA-N -1 3 307.434 3.678 20 0 DHADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC000436626055 338280457 /nfs/dbraw/zinc/28/04/57/338280457.db2.gz HMLLBCRXHGQJSH-CABCVRRESA-N -1 3 309.409 3.658 20 0 DHADHM COc1cc(-c2noc(-c3cc(C)c(F)cc3F)n2)ccc1[O-] ZINC000436641720 338281049 /nfs/dbraw/zinc/28/10/49/338281049.db2.gz XBABOPNNCRHKOP-UHFFFAOYSA-N -1 3 318.279 3.704 20 0 DHADHM CCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1OC ZINC000436648067 338281395 /nfs/dbraw/zinc/28/13/95/338281395.db2.gz KWMKUNXSTUZANW-UHFFFAOYSA-N -1 3 315.369 3.669 20 0 DHADHM Cc1ccc(C(=O)NCC(C)(C)c2cccs2)c([O-])c1C ZINC000436679285 338282402 /nfs/dbraw/zinc/28/24/02/338282402.db2.gz GBOFWIBDYQPOTR-UHFFFAOYSA-N -1 3 303.427 3.778 20 0 DHADHM CO[C@H]1CCCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C1 ZINC000436675584 338282415 /nfs/dbraw/zinc/28/24/15/338282415.db2.gz LJJMULBPLDKCEF-HNNXBMFYSA-N -1 3 319.445 3.890 20 0 DHADHM CC(C)(C)OCc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000436682847 338282733 /nfs/dbraw/zinc/28/27/33/338282733.db2.gz XGHZVBCMUOZRGS-UHFFFAOYSA-N -1 3 313.397 3.637 20 0 DHADHM CCSc1cccc(CNC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436702633 338283278 /nfs/dbraw/zinc/28/32/78/338283278.db2.gz FXVAYWJCPYEGES-UHFFFAOYSA-N -1 3 301.411 3.743 20 0 DHADHM CCO[C@H](CCNC(=O)c1ccc([O-])c(CC)c1)C1CCCC1 ZINC000436703008 338283361 /nfs/dbraw/zinc/28/33/61/338283361.db2.gz GYTNNPBKXNTWBW-GOSISDBHSA-N -1 3 319.445 3.670 20 0 DHADHM O=C(Nc1ccc2c(c1)COC2)c1cc2c(cc1[O-])CCCC2 ZINC000436699486 338283432 /nfs/dbraw/zinc/28/34/32/338283432.db2.gz QWFJSPXBYCBGSZ-UHFFFAOYSA-N -1 3 309.365 3.554 20 0 DHADHM COc1cccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1[O-] ZINC000436712207 338283667 /nfs/dbraw/zinc/28/36/67/338283667.db2.gz FFHIOVONHGPWHD-OAHLLOKOSA-N -1 3 311.381 3.801 20 0 DHADHM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccccc1[O-] ZINC000436713247 338283722 /nfs/dbraw/zinc/28/37/22/338283722.db2.gz DJZHPUWQUSGTHV-UHFFFAOYSA-N -1 3 313.319 3.777 20 0 DHADHM Cc1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c([O-])c1 ZINC000436713281 338283768 /nfs/dbraw/zinc/28/37/68/338283768.db2.gz IWPQUEXQDQLQSC-UHFFFAOYSA-N -1 3 320.320 3.841 20 0 DHADHM CCCCOc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)c([O-])c1 ZINC000436716470 338283810 /nfs/dbraw/zinc/28/38/10/338283810.db2.gz PWEQAYSSJVJEQO-HNNXBMFYSA-N -1 3 317.429 3.833 20 0 DHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436719208 338284028 /nfs/dbraw/zinc/28/40/28/338284028.db2.gz OXBUZOAUHCYVCL-KRWDZBQOSA-N -1 3 309.409 3.856 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436721975 338284121 /nfs/dbraw/zinc/28/41/21/338284121.db2.gz ZLDKVUKPKSZWFQ-JTQLQIEISA-N -1 3 304.415 3.637 20 0 DHADHM Cc1cc(CN(C)C)cc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436731397 338284505 /nfs/dbraw/zinc/28/45/05/338284505.db2.gz LCCYEXHGBGPYBH-UHFFFAOYSA-N -1 3 318.804 3.668 20 0 DHADHM CC[C@@H](C)n1ncc(NC(=O)c2cccc(C)c2[O-])c1C1CC1 ZINC000436734936 338284682 /nfs/dbraw/zinc/28/46/82/338284682.db2.gz FPYPMZAEDMWLMD-GFCCVEGCSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1cccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c1[O-] ZINC000436739381 338284869 /nfs/dbraw/zinc/28/48/69/338284869.db2.gz PWHHDPZBDGLZMJ-HNNXBMFYSA-N -1 3 322.408 3.720 20 0 DHADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436753072 338285323 /nfs/dbraw/zinc/28/53/23/338285323.db2.gz BTDZYPKVGVNKPW-SFHVURJKSA-N -1 3 324.424 3.587 20 0 DHADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000436758120 338285749 /nfs/dbraw/zinc/28/57/49/338285749.db2.gz XDUJYQJKMVXACK-UHFFFAOYSA-N -1 3 301.361 3.892 20 0 DHADHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436759519 338285982 /nfs/dbraw/zinc/28/59/82/338285982.db2.gz ZHTRYJZSVFXFFR-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436761242 338286178 /nfs/dbraw/zinc/28/61/78/338286178.db2.gz XFLKMTTVHPNUMT-NSHDSACASA-N -1 3 305.324 3.812 20 0 DHADHM [O-]c1ccc(-c2noc(CCCOc3ccc(F)cc3)n2)cc1 ZINC000436766565 338286362 /nfs/dbraw/zinc/28/63/62/338286362.db2.gz DAWZTULPDKJPCJ-UHFFFAOYSA-N -1 3 314.316 3.593 20 0 DHADHM [O-]c1ccc(-c2noc(/C=C/c3c(F)cccc3F)n2)cc1 ZINC000436766559 338286372 /nfs/dbraw/zinc/28/63/72/338286372.db2.gz CZXMFVZTOOKSMT-CMDGGOBGSA-N -1 3 300.264 3.891 20 0 DHADHM CCc1ccc(C(=O)CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770001 338286673 /nfs/dbraw/zinc/28/66/73/338286673.db2.gz PLWJONUFVVTXJQ-UHFFFAOYSA-N -1 3 322.364 3.820 20 0 DHADHM Cc1[nH]c2ccccc2c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770651 338286821 /nfs/dbraw/zinc/28/68/21/338286821.db2.gz SJEYTHWOWVOPAM-UHFFFAOYSA-N -1 3 305.337 3.823 20 0 DHADHM COc1cc(-c2noc(-c3nccc4ccccc43)n2)ccc1[O-] ZINC000436787924 338287455 /nfs/dbraw/zinc/28/74/55/338287455.db2.gz ZUTIGCBTGAXYAC-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM Cc1ccc(C(=O)NCCCc2cccc(F)c2)c([O-])c1C ZINC000436795193 338287623 /nfs/dbraw/zinc/28/76/23/338287623.db2.gz YEQGVOHMVNFHMY-UHFFFAOYSA-N -1 3 301.361 3.511 20 0 DHADHM CCC1(CC)CN(C(=O)c2ccc(C)c(C)c2[O-])CCS1 ZINC000436799534 338287956 /nfs/dbraw/zinc/28/79/56/338287956.db2.gz DLVFDFBFOVKUGV-UHFFFAOYSA-N -1 3 307.459 3.757 20 0 DHADHM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccccc1[O-] ZINC000436807746 338288180 /nfs/dbraw/zinc/28/81/80/338288180.db2.gz MAUFRQVJQSLSAT-UHFFFAOYSA-N -1 3 319.788 3.587 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c([O-])c1 ZINC000436816266 338288306 /nfs/dbraw/zinc/28/83/06/338288306.db2.gz CZTYUSDIKBCLJY-UHFFFAOYSA-N -1 3 308.337 3.862 20 0 DHADHM CCc1c(NC(=O)c2cccc(C)c2[O-])cnn1CCC(C)C ZINC000436817477 338288503 /nfs/dbraw/zinc/28/85/03/338288503.db2.gz HVLPQEKJNGHFIR-UHFFFAOYSA-N -1 3 315.417 3.758 20 0 DHADHM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c([O-])c1 ZINC000436820814 338288547 /nfs/dbraw/zinc/28/85/47/338288547.db2.gz SKKHXGGUDSCMFA-ZDUSSCGKSA-N -1 3 301.390 3.757 20 0 DHADHM CCc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000436829916 338288935 /nfs/dbraw/zinc/28/89/35/338288935.db2.gz BOCPLGKIXPILJR-HNNXBMFYSA-N -1 3 311.425 3.966 20 0 DHADHM Cc1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)c([O-])c1C ZINC000436835901 338289232 /nfs/dbraw/zinc/28/92/32/338289232.db2.gz GCAACMJOZJSRMT-UHFFFAOYSA-N -1 3 322.408 3.638 20 0 DHADHM Cc1ccc(C(=O)NCCCCCOC2CCCCC2)c([O-])c1 ZINC000436836434 338289236 /nfs/dbraw/zinc/28/92/36/338289236.db2.gz DTCKWEKOXIBJPK-UHFFFAOYSA-N -1 3 319.445 3.950 20 0 DHADHM Cc1cccc(C(=O)Nc2cccc(Cl)c2N(C)C)c1[O-] ZINC000436839977 338289597 /nfs/dbraw/zinc/28/95/97/338289597.db2.gz RKOGYFHYUZWXNL-UHFFFAOYSA-N -1 3 304.777 3.672 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c([O-])c1 ZINC000436844830 338289667 /nfs/dbraw/zinc/28/96/67/338289667.db2.gz HGIXSSLTALIYPY-MRXNPFEDSA-N -1 3 309.409 3.947 20 0 DHADHM COc1cc(Cl)c(NC(=O)c2ccc(C)cc2[O-])cc1C ZINC000436848080 338289891 /nfs/dbraw/zinc/28/98/91/338289891.db2.gz MXIDFIZTVJWTCU-UHFFFAOYSA-N -1 3 305.761 3.923 20 0 DHADHM CCc1ccc([C@H]2CCN(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000436855567 338290021 /nfs/dbraw/zinc/29/00/21/338290021.db2.gz VMKJPMCSPMMAIM-KRWDZBQOSA-N -1 3 309.409 3.893 20 0 DHADHM CCc1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)c([O-])c1 ZINC000436856964 338290160 /nfs/dbraw/zinc/29/01/60/338290160.db2.gz ITLZJBOIFGTNRM-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ccc(-c4cc[nH]n4)s3)n2)cc1 ZINC000436868908 338290582 /nfs/dbraw/zinc/29/05/82/338290582.db2.gz JDHRBIUVGXHHIV-UHFFFAOYSA-N -1 3 310.338 3.561 20 0 DHADHM Cc1ccc2c(c1)CC[C@@H](c1nc(-c3ccc([O-])cc3)no1)O2 ZINC000436867826 338290669 /nfs/dbraw/zinc/29/06/69/338290669.db2.gz DYICZUVQOCRQGS-INIZCTEOSA-N -1 3 308.337 3.817 20 0 DHADHM CCCOc1nc(C)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436873695 338290954 /nfs/dbraw/zinc/29/09/54/338290954.db2.gz XDJMLWNHBOZOKW-UHFFFAOYSA-N -1 3 311.341 3.601 20 0 DHADHM CCOc1cc(-c2noc(Cc3ccsc3C)n2)ccc1[O-] ZINC000436877271 338291363 /nfs/dbraw/zinc/29/13/63/338291363.db2.gz OAJAVGLYHGXQMM-UHFFFAOYSA-N -1 3 316.382 3.802 20 0 DHADHM CCOc1cc(-c2noc([C@H]3C[C@@]3(C)C(C)C)n2)ccc1[O-] ZINC000436879276 338291492 /nfs/dbraw/zinc/29/14/92/338291492.db2.gz WUPHKMMROAUBSN-PXAZEXFGSA-N -1 3 302.374 3.991 20 0 DHADHM CCN(C(=O)c1cc(OC)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000436885944 338291827 /nfs/dbraw/zinc/29/18/27/338291827.db2.gz LPKFFXOTYQUMKX-UHFFFAOYSA-N -1 3 310.353 3.549 20 0 DHADHM COc1cc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)ccn1 ZINC000436886403 338291854 /nfs/dbraw/zinc/29/18/54/338291854.db2.gz KJPIIPCDJHQREG-UHFFFAOYSA-N -1 3 311.341 3.636 20 0 DHADHM Cc1cccc(-c2nc(-c3cc(=O)[nH]c4ccccc43)no2)c1[O-] ZINC000436886925 338292038 /nfs/dbraw/zinc/29/20/38/338292038.db2.gz VENACAXURYADCV-UHFFFAOYSA-N -1 3 319.320 3.671 20 0 DHADHM CC[C@H](C)n1nc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000436887586 338292048 /nfs/dbraw/zinc/29/20/48/338292048.db2.gz RGBKCLSTAFYNHE-VIFPVBQESA-N -1 3 307.781 3.774 20 0 DHADHM COc1cc(-c2noc(-c3coc4ccccc34)n2)ccc1[O-] ZINC000436895483 338292270 /nfs/dbraw/zinc/29/22/70/338292270.db2.gz JFTFIMWKYDESOQ-UHFFFAOYSA-N -1 3 308.293 3.864 20 0 DHADHM [O-]c1c(-c2nc(Cc3ccccc3)no2)ccc2c1CCCC2 ZINC000436893850 338292407 /nfs/dbraw/zinc/29/24/07/338292407.db2.gz CIBLPZPQZVBHJG-UHFFFAOYSA-N -1 3 306.365 3.912 20 0 DHADHM CC(C)c1ccc(-c2nc(Cc3cscn3)no2)c([O-])c1 ZINC000436896594 338292526 /nfs/dbraw/zinc/29/25/26/338292526.db2.gz NOLVRJYZUBELRK-UHFFFAOYSA-N -1 3 301.371 3.613 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)ccc1[O-] ZINC000436897870 338292537 /nfs/dbraw/zinc/29/25/37/338292537.db2.gz UVAPRAGZVFOCSB-CQSZACIVSA-N -1 3 313.397 3.979 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccccc3F)no2)c1[O-] ZINC000436897231 338292601 /nfs/dbraw/zinc/29/26/01/338292601.db2.gz RFFNWWQRPJTHKS-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM Cc1ccc(-c2nc(Cc3cc(F)cc(F)c3)no2)c([O-])c1C ZINC000436901786 338292757 /nfs/dbraw/zinc/29/27/57/338292757.db2.gz IETRHMNXIFLVFP-UHFFFAOYSA-N -1 3 316.307 3.928 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000436905441 338292862 /nfs/dbraw/zinc/29/28/62/338292862.db2.gz SWDMERSWVUOVDK-NSHDSACASA-N -1 3 321.323 3.793 20 0 DHADHM CCC(=O)Nc1cccc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000436907776 338293007 /nfs/dbraw/zinc/29/30/07/338293007.db2.gz YUASNGPEXKQBIJ-UHFFFAOYSA-N -1 3 323.352 3.766 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000436917614 338293335 /nfs/dbraw/zinc/29/33/35/338293335.db2.gz BZUAYUYOZKYLLK-JTQLQIEISA-N -1 3 321.323 3.512 20 0 DHADHM COc1cccc(C(=O)N[C@@H](c2ccccc2C)C2CC2)c1[O-] ZINC000436919209 338293448 /nfs/dbraw/zinc/29/34/48/338293448.db2.gz MRPOBRQXNRYFAV-QGZVFWFLSA-N -1 3 311.381 3.590 20 0 DHADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436925254 338293589 /nfs/dbraw/zinc/29/35/89/338293589.db2.gz JSUVRUULMWOODK-CYBMUJFWSA-N -1 3 323.396 3.561 20 0 DHADHM Cc1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)ccc1[O-] ZINC000436925342 338293636 /nfs/dbraw/zinc/29/36/36/338293636.db2.gz ZJPXZALZDMLUHL-LLVKDONJSA-N -1 3 321.323 3.793 20 0 DHADHM Cc1cc(C(=O)NCc2ccccc2OCC(C)C)ccc1[O-] ZINC000436927190 338293931 /nfs/dbraw/zinc/29/39/31/338293931.db2.gz MZFMEFNJBJJULE-UHFFFAOYSA-N -1 3 313.397 3.665 20 0 DHADHM COc1ccc([C@@H](NC(=O)c2ccc([O-])c(C)c2)C(C)C)cc1 ZINC000436929616 338293947 /nfs/dbraw/zinc/29/39/47/338293947.db2.gz ZVKLICAPJSEKHP-SFHVURJKSA-N -1 3 313.397 3.836 20 0 DHADHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)n(Cc2ccccc2)n1 ZINC000436928820 338293971 /nfs/dbraw/zinc/29/39/71/338293971.db2.gz XIOKPVXQTRDKFQ-UHFFFAOYSA-N -1 3 321.380 3.506 20 0 DHADHM CCCCN(C(=O)c1cccc(OC)c1[O-])C1CCCCC1 ZINC000436929566 338294089 /nfs/dbraw/zinc/29/40/89/338294089.db2.gz FFNRFQVDIYKUML-UHFFFAOYSA-N -1 3 305.418 3.976 20 0 DHADHM Cc1cc(-c2noc(-c3cccc(C)c3[O-])n2)cc2[nH]cnc21 ZINC000436933318 338294253 /nfs/dbraw/zinc/29/42/53/338294253.db2.gz SNPFMPWFEXWRQX-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM Cc1cc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc2[nH]cnc21 ZINC000436933594 338294287 /nfs/dbraw/zinc/29/42/87/338294287.db2.gz IFANAYJBAPQONE-UHFFFAOYSA-N -1 3 320.352 3.911 20 0 DHADHM COc1ccc([O-])c(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1 ZINC000436935220 338294485 /nfs/dbraw/zinc/29/44/85/338294485.db2.gz VWUFJEIYTWFTSZ-GFCCVEGCSA-N -1 3 310.353 3.911 20 0 DHADHM Cc1ccc([O-])c(-c2nc(-c3cccc(-n4ccnc4)c3)no2)c1 ZINC000436940679 338294859 /nfs/dbraw/zinc/29/48/59/338294859.db2.gz XMNSBBCYUMKATF-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c([O-])c1 ZINC000436945753 338295195 /nfs/dbraw/zinc/29/51/95/338295195.db2.gz QCTCYCHJELEDKT-SMDDNHRTSA-N -1 3 319.763 3.779 20 0 DHADHM [O-]c1ccc(-c2noc(-c3ncoc3-c3ccc(F)cc3)n2)cc1 ZINC000436951251 338295465 /nfs/dbraw/zinc/29/54/65/338295465.db2.gz XYBGJWQSJOQNLB-UHFFFAOYSA-N -1 3 323.283 3.903 20 0 DHADHM CN(Cc1cccs1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436951284 338295549 /nfs/dbraw/zinc/29/55/49/338295549.db2.gz YNCIILVDPXGRKN-UHFFFAOYSA-N -1 3 301.411 3.605 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc(C)cc3OC)no2)c1 ZINC000436951065 338295587 /nfs/dbraw/zinc/29/55/87/338295587.db2.gz PCQNRVAHEIODEI-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM COc1cc(C)cc(-c2nc(-c3ccc4c(c3)CCC4)no2)c1[O-] ZINC000436955609 338295770 /nfs/dbraw/zinc/29/57/70/338295770.db2.gz GZBVLKRHTSPKJK-UHFFFAOYSA-N -1 3 322.364 3.915 20 0 DHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC[C@H]1Cc1ccccc1 ZINC000436964007 338296004 /nfs/dbraw/zinc/29/60/04/338296004.db2.gz LCOIBXLTZBFCLJ-KRWDZBQOSA-N -1 3 321.420 3.728 20 0 DHADHM C[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc2O1 ZINC000436966956 338296307 /nfs/dbraw/zinc/29/63/07/338296307.db2.gz RREDXQUNELVDCG-ZDUSSCGKSA-N -1 3 323.392 3.699 20 0 DHADHM CCCCOc1ccc(C(=O)N[C@H](C)CC(F)(F)F)c([O-])c1 ZINC000436994886 338297236 /nfs/dbraw/zinc/29/72/36/338297236.db2.gz OKLFEXREQRZJJK-SNVBAGLBSA-N -1 3 319.323 3.642 20 0 DHADHM Cn1cc(-c2nc(C(=O)[N-]c3ccsc3Cl)cs2)cn1 ZINC000438568803 338348508 /nfs/dbraw/zinc/34/85/08/338348508.db2.gz KVTFUWNBHCXMBR-UHFFFAOYSA-N -1 3 324.818 3.511 20 0 DHADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)ccc1[O-] ZINC000438677378 338350820 /nfs/dbraw/zinc/35/08/20/338350820.db2.gz GLFZLIXEIYUQLP-SJLPKXTDSA-N -1 3 309.409 3.842 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000448613638 338361028 /nfs/dbraw/zinc/36/10/28/338361028.db2.gz OBHJBUZYVKAEEO-SOUVJXGZSA-N -1 3 305.393 3.549 20 0 DHADHM CC(C)[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000439726935 338376687 /nfs/dbraw/zinc/37/66/87/338376687.db2.gz HGYKCUAOACFGSL-GOSISDBHSA-N -1 3 320.392 3.655 20 0 DHADHM O=S(=O)([N-]Cc1ccco1)c1c(Cl)ccc2ccccc21 ZINC000440402413 338386742 /nfs/dbraw/zinc/38/67/42/338386742.db2.gz QWNWFPAWDPJOCF-UHFFFAOYSA-N -1 3 321.785 3.565 20 0 DHADHM CCSCc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000447632841 338562350 /nfs/dbraw/zinc/56/23/50/338562350.db2.gz PVVMCCMLXGGFIB-UHFFFAOYSA-N -1 3 302.399 3.601 20 0 DHADHM CCC(=O)C1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000450415776 338682644 /nfs/dbraw/zinc/68/26/44/338682644.db2.gz DPVSBWARQKPFMY-UHFFFAOYSA-N -1 3 323.392 3.681 20 0 DHADHM CC(C)(C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1O ZINC000450749792 338703307 /nfs/dbraw/zinc/70/33/07/338703307.db2.gz ZSJBBCVMZGZTEL-UHFFFAOYSA-N -1 3 317.360 3.716 20 0 DHADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000450962675 338714702 /nfs/dbraw/zinc/71/47/02/338714702.db2.gz CIHYZJJHTCHANT-UHFFFAOYSA-N -1 3 305.374 3.812 20 0 DHADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000452187671 338757073 /nfs/dbraw/zinc/75/70/73/338757073.db2.gz MGKGLNWLWQOZEC-GFCCVEGCSA-N -1 3 313.372 3.829 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000452748604 338777702 /nfs/dbraw/zinc/77/77/02/338777702.db2.gz KNIVMNCEXPJSDU-NXEZZACHSA-N -1 3 312.207 3.694 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000452750676 338777803 /nfs/dbraw/zinc/77/78/03/338777803.db2.gz FRBPJENVLIMMQU-WPRPVWTQSA-N -1 3 312.207 3.838 20 0 DHADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000195722141 338914612 /nfs/dbraw/zinc/91/46/12/338914612.db2.gz GKJYKRVRENORCP-ZDUSSCGKSA-N -1 3 323.396 3.561 20 0 DHADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c([O-])c1C ZINC000458246558 338993098 /nfs/dbraw/zinc/99/30/98/338993098.db2.gz NRKBEWMWGWVCLS-ZDUSSCGKSA-N -1 3 315.388 3.851 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459282874 339019054 /nfs/dbraw/zinc/01/90/54/339019054.db2.gz RGOAOQYXHKEFFL-GFCCVEGCSA-N -1 3 323.396 3.999 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459347923 339023378 /nfs/dbraw/zinc/02/33/78/339023378.db2.gz MAJODKBLOPREBM-JTQLQIEISA-N -1 3 303.793 3.564 20 0 DHADHM CCOc1cc(CN2CCSC(C)(C)C2)cc(Cl)c1[O-] ZINC000459349998 339023685 /nfs/dbraw/zinc/02/36/85/339023685.db2.gz RZVDZQHBEWGANF-UHFFFAOYSA-N -1 3 315.866 3.772 20 0 DHADHM O=c1cc(CN2CCCCC[C@H]2c2ccco2)nc(C2CC2)[n-]1 ZINC000459357642 339024220 /nfs/dbraw/zinc/02/42/20/339024220.db2.gz CXTNNPDPRGMZAG-HNNXBMFYSA-N -1 3 313.401 3.770 20 0 DHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(Cl)c1 ZINC000459392024 339026568 /nfs/dbraw/zinc/02/65/68/339026568.db2.gz KXEOLKYDERNLOC-VIFPVBQESA-N -1 3 321.783 3.703 20 0 DHADHM Cc1cc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)c(C)o1 ZINC000459409688 339027578 /nfs/dbraw/zinc/02/75/78/339027578.db2.gz RTRAANDZUAGSPF-CYBMUJFWSA-N -1 3 323.396 3.910 20 0 DHADHM CCn1nc(C)c(NCc2cccc([O-])c2Br)c1C ZINC000459457078 339030113 /nfs/dbraw/zinc/03/01/13/339030113.db2.gz IQTLDCFFTYZWIS-UHFFFAOYSA-N -1 3 324.222 3.600 20 0 DHADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccc(Br)c1 ZINC000461789993 339067155 /nfs/dbraw/zinc/06/71/55/339067155.db2.gz NYKSLGHNPGEWPA-SNVBAGLBSA-N -1 3 320.186 3.897 20 0 DHADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000462706666 339084532 /nfs/dbraw/zinc/08/45/32/339084532.db2.gz TXAWMHVWXVEAHW-MNOVXSKESA-N -1 3 323.380 3.808 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(SC)cc2)c1 ZINC000466659472 339212338 /nfs/dbraw/zinc/21/23/38/339212338.db2.gz JINPZDSCTYTTSU-LLVKDONJSA-N -1 3 317.410 3.614 20 0 DHADHM CCc1cc(=O)[n-]c(CN(C)CCc2cccc3ccccc32)n1 ZINC000468266482 339258128 /nfs/dbraw/zinc/25/81/28/339258128.db2.gz OOBGBVKHVDHCBS-UHFFFAOYSA-N -1 3 321.424 3.572 20 0 DHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468317479 339259606 /nfs/dbraw/zinc/25/96/06/339259606.db2.gz OVFFWIIESODHKD-UKRRQHHQSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000468564170 339266591 /nfs/dbraw/zinc/26/65/91/339266591.db2.gz IHCBVHNJXCFFLI-CQSZACIVSA-N -1 3 315.388 3.774 20 0 DHADHM Cc1cc(F)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468571751 339266658 /nfs/dbraw/zinc/26/66/58/339266658.db2.gz MRWCUDDKHVNHPT-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc2[nH]ccc21 ZINC000468763579 339270148 /nfs/dbraw/zinc/27/01/48/339270148.db2.gz AUFTWXNAGUXJAJ-UHFFFAOYSA-N -1 3 312.344 3.974 20 0 DHADHM CC(C)(C)[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469019215 339277803 /nfs/dbraw/zinc/27/78/03/339277803.db2.gz RWPFPYWAVJFWNT-INIZCTEOSA-N -1 3 307.409 3.891 20 0 DHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000469815158 339301880 /nfs/dbraw/zinc/30/18/80/339301880.db2.gz AUCCQIPVQPPPMD-KMFMINBZSA-N -1 3 319.420 3.891 20 0 DHADHM C[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC12CCC2 ZINC000469821887 339302045 /nfs/dbraw/zinc/30/20/45/339302045.db2.gz PPBYWCLBWWJTHQ-CQSZACIVSA-N -1 3 319.420 3.893 20 0 DHADHM CCCC[C@H](NCc1cc([O-])cc(F)c1)C(=O)OC(C)(C)C ZINC000472043012 339360423 /nfs/dbraw/zinc/36/04/23/339360423.db2.gz GNJJXDQHLIJDRX-HNNXBMFYSA-N -1 3 311.397 3.521 20 0 DHADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccccc1Br ZINC000473133799 339381839 /nfs/dbraw/zinc/38/18/39/339381839.db2.gz UAUMSNUNDUEYGT-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM O=C(CCCc1ccc2ccccc2c1)NCc1ncccc1[O-] ZINC000473641913 339389302 /nfs/dbraw/zinc/38/93/02/339389302.db2.gz WYGUFXSRDKYFQN-UHFFFAOYSA-N -1 3 320.392 3.580 20 0 DHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)sc1Cl ZINC000473857447 339393454 /nfs/dbraw/zinc/39/34/54/339393454.db2.gz HKGOOAJQIYOVCO-JTQLQIEISA-N -1 3 315.847 3.749 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1Cc2ccccc21 ZINC000476126216 339469995 /nfs/dbraw/zinc/46/99/95/339469995.db2.gz AKXWBGFVVXQDQD-GFCCVEGCSA-N -1 3 307.271 3.689 20 0 DHADHM COc1cccc(C(=O)N[C@H](C)c2c(F)cccc2Cl)c1[O-] ZINC000477261025 339490738 /nfs/dbraw/zinc/49/07/38/339490738.db2.gz PKHNPJRAIFDPDN-SECBINFHSA-N -1 3 323.751 3.684 20 0 DHADHM O=c1ccnc(C(=Cc2ccc(F)cc2)Cc2ccccc2)[n-]1 ZINC000477423288 339494578 /nfs/dbraw/zinc/49/45/78/339494578.db2.gz XSPBUEVGCFZOOZ-SSZFMOIBSA-N -1 3 306.340 3.692 20 0 DHADHM CCc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000479173191 339528589 /nfs/dbraw/zinc/52/85/89/339528589.db2.gz XPBFQSDQJVTIKB-UHFFFAOYSA-N -1 3 311.410 3.900 20 0 DHADHM CCc1cc(C(=O)N[C@@H](c2ccccc2)C(F)F)ccc1[O-] ZINC000482017430 339619911 /nfs/dbraw/zinc/61/99/11/339619911.db2.gz JNCSXPVBRIEYDY-HNNXBMFYSA-N -1 3 305.324 3.691 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3ccccc3C)C2)ccc1[O-] ZINC000486037960 339719120 /nfs/dbraw/zinc/71/91/20/339719120.db2.gz PCQSJXYDYLHYGR-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1SC ZINC000486076381 339720230 /nfs/dbraw/zinc/72/02/30/339720230.db2.gz LCOFMSLLQRUOQI-XVNBXDOJSA-N -1 3 314.410 3.961 20 0 DHADHM CCc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)ccc1[O-] ZINC000486464108 339727759 /nfs/dbraw/zinc/72/77/59/339727759.db2.gz FRPLSNQYMUBOLB-KBXCAEBGSA-N -1 3 309.409 3.973 20 0 DHADHM CC(C)(C)OC1CC(CC(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000488818705 339794392 /nfs/dbraw/zinc/79/43/92/339794392.db2.gz HCXMXEIDKOMDOH-UHFFFAOYSA-N -1 3 311.809 3.968 20 0 DHADHM Cc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489996321 339823125 /nfs/dbraw/zinc/82/31/25/339823125.db2.gz VQIJHOVBAJRBBC-NSHDSACASA-N -1 3 323.430 3.550 20 0 DHADHM Cc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2[O-])cc1C ZINC000490723865 339838621 /nfs/dbraw/zinc/83/86/21/339838621.db2.gz YPEAATSNPXAEDU-UHFFFAOYSA-N -1 3 311.381 3.919 20 0 DHADHM COc1cccc(/C=C\C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000493246788 339921001 /nfs/dbraw/zinc/92/10/01/339921001.db2.gz BMWCCBHEGWBVHP-HJWRWDBZSA-N -1 3 303.745 3.706 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)/C=C/C2(C)CCOCC2)c1[O-] ZINC000493592860 339929001 /nfs/dbraw/zinc/92/90/01/339929001.db2.gz RMRSATSWKVIFOC-ONEGZZNKSA-N -1 3 309.793 3.665 20 0 DHADHM Cc1cccc([C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000499286922 340034124 /nfs/dbraw/zinc/03/41/24/340034124.db2.gz QZDICAZVSDKZCL-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1[O-] ZINC000499592527 340040104 /nfs/dbraw/zinc/04/01/04/340040104.db2.gz OQXWAXJDECTFCM-UHFFFAOYSA-N -1 3 310.397 3.862 20 0 DHADHM Cc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[O-] ZINC000499599913 340040489 /nfs/dbraw/zinc/04/04/89/340040489.db2.gz UWPWHJCNXIUHHP-UHFFFAOYSA-N -1 3 318.376 3.939 20 0 DHADHM Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1[O-] ZINC000499859838 340046185 /nfs/dbraw/zinc/04/61/85/340046185.db2.gz IBEWOUXZYOQFCM-UHFFFAOYSA-N -1 3 301.773 3.773 20 0 DHADHM CC(C)(C)CCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000499933723 340047047 /nfs/dbraw/zinc/04/70/47/340047047.db2.gz DOCAGSGLQQAAOQ-UHFFFAOYSA-N -1 3 310.463 3.982 20 0 DHADHM CC(C)C[C@H](C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000499933298 340047212 /nfs/dbraw/zinc/04/72/12/340047212.db2.gz CKOWKHAXGNSAIY-LBPRGKRZSA-N -1 3 310.463 3.838 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000500047344 340049243 /nfs/dbraw/zinc/04/92/43/340049243.db2.gz HWROXGWCPVEJOX-BBBLOLIVSA-N -1 3 307.868 3.505 20 0 DHADHM Cc1cc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)ccc1[O-] ZINC000500057441 340049476 /nfs/dbraw/zinc/04/94/76/340049476.db2.gz UXCLJHCGSCQDGK-GFCCVEGCSA-N -1 3 303.324 3.798 20 0 DHADHM Cc1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)ccc1[O-] ZINC000500102012 340050286 /nfs/dbraw/zinc/05/02/86/340050286.db2.gz JXCUPLDUUJSGSE-CYBMUJFWSA-N -1 3 301.308 3.552 20 0 DHADHM COc1ccccc1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501945738 340091212 /nfs/dbraw/zinc/09/12/12/340091212.db2.gz JIGFZSNVKXMGBH-UHFFFAOYSA-N -1 3 313.397 3.880 20 0 DHADHM c1nc([N-]c2ncnc3ccncc32)sc1Cc1ccccc1 ZINC000502700071 340111357 /nfs/dbraw/zinc/11/13/57/340111357.db2.gz UQIGUIXQKRZVRI-UHFFFAOYSA-N -1 3 319.393 3.816 20 0 DHADHM CCC[C@@H](NC(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000502872208 340115157 /nfs/dbraw/zinc/11/51/57/340115157.db2.gz NKNOHZABSMNEDD-GFCCVEGCSA-N -1 3 319.232 3.804 20 0 DHADHM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000504672898 340150770 /nfs/dbraw/zinc/15/07/70/340150770.db2.gz GSUKDOANQIBXCC-NSHDSACASA-N -1 3 309.715 3.752 20 0 DHADHM COc1ccc(NC(=O)c2cc(F)c3ccccc3c2)c([O-])c1 ZINC000504905945 340155632 /nfs/dbraw/zinc/15/56/32/340155632.db2.gz QEUMIGDTYBYQTA-UHFFFAOYSA-N -1 3 311.312 3.945 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2cccc3c2OCO3)c([O-])c1 ZINC000506239175 340189713 /nfs/dbraw/zinc/18/97/13/340189713.db2.gz TTXBKZRKPXPHFJ-UHFFFAOYSA-N -1 3 313.353 3.671 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCc2ccc(O)cc2)c([O-])c1 ZINC000506238196 340189736 /nfs/dbraw/zinc/18/97/36/340189736.db2.gz NGFFVXDWVWTDFR-UHFFFAOYSA-N -1 3 313.397 3.967 20 0 DHADHM COc1ccc(O)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506257331 340190259 /nfs/dbraw/zinc/19/02/59/340190259.db2.gz YQSWGAMBZGWENE-UHFFFAOYSA-N -1 3 315.369 3.656 20 0 DHADHM CC[C@H](C)[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701906 340199815 /nfs/dbraw/zinc/19/98/15/340199815.db2.gz HKDIMHHSWQRLBT-IUCAKERBSA-N -1 3 300.196 3.775 20 0 DHADHM CN(Cc1ccc(F)cc1)Cc1cc([O-])ccc1Br ZINC000506753741 340200973 /nfs/dbraw/zinc/20/09/73/340200973.db2.gz SSBSSIQVDSAMIH-UHFFFAOYSA-N -1 3 324.193 3.926 20 0 DHADHM COc1ccc([O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000507047133 340206140 /nfs/dbraw/zinc/20/61/40/340206140.db2.gz CPTCAKPWJDWDOP-GOSISDBHSA-N -1 3 323.348 3.513 20 0 DHADHM O=S(=O)([N-]c1ccccc1Cl)c1cccc2ncccc21 ZINC000508033235 340237880 /nfs/dbraw/zinc/23/78/80/340237880.db2.gz QYSDCYFEGMRMCX-UHFFFAOYSA-N -1 3 318.785 3.689 20 0 DHADHM COc1ccccc1C[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000508231331 340241148 /nfs/dbraw/zinc/24/11/48/340241148.db2.gz OIHZCRNYQBATHH-LBPRGKRZSA-N -1 3 321.367 3.742 20 0 DHADHM Cc1cc(Cl)ccc1OCCCNC(=O)c1cccc([O-])c1 ZINC000509094977 340261212 /nfs/dbraw/zinc/26/12/12/340261212.db2.gz DJLUDAQPVJDJKH-UHFFFAOYSA-N -1 3 319.788 3.553 20 0 DHADHM Cc1cccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1[O-] ZINC000302688959 340278812 /nfs/dbraw/zinc/27/88/12/340278812.db2.gz OFKVTKSAQIHJDI-QGZVFWFLSA-N -1 3 307.349 3.813 20 0 DHADHM CC[C@H](C)Oc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000302974096 340291505 /nfs/dbraw/zinc/29/15/05/340291505.db2.gz IPCNHSWDVJCUNP-LBPRGKRZSA-N -1 3 315.369 3.830 20 0 DHADHM Cc1cccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1[O-] ZINC000302981367 340292429 /nfs/dbraw/zinc/29/24/29/340292429.db2.gz UAUVHQPMXFWRET-UHFFFAOYSA-N -1 3 323.314 3.992 20 0 DHADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000303133506 340303899 /nfs/dbraw/zinc/30/38/99/340303899.db2.gz BSAZJGRUAOJWQW-JTQLQIEISA-N -1 3 307.818 3.582 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c([O-])c1 ZINC000303139975 340304429 /nfs/dbraw/zinc/30/44/29/340304429.db2.gz LVGCFMGDNSIBNK-UHFFFAOYSA-N -1 3 321.323 3.905 20 0 DHADHM COc1ccc([C@@H](C)CCNCc2c(F)ccc([O-])c2F)cc1 ZINC000511124312 340321553 /nfs/dbraw/zinc/32/15/53/340321553.db2.gz SCYGKGCVDDLDER-LBPRGKRZSA-N -1 3 321.367 3.962 20 0 DHADHM CC(C)c1ccccc1OCCNCc1c(F)ccc([O-])c1F ZINC000511160251 340322893 /nfs/dbraw/zinc/32/28/93/340322893.db2.gz JXRHEPKBCYPTNV-UHFFFAOYSA-N -1 3 321.367 3.962 20 0 DHADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512030910 340345876 /nfs/dbraw/zinc/34/58/76/340345876.db2.gz MGVSHMGTZWSADA-IUCAKERBSA-N -1 3 310.246 3.706 20 0 DHADHM [O-]c1ccc(F)c(CN2CC[C@@H](COc3ccccc3)C2)c1F ZINC000512339378 340357999 /nfs/dbraw/zinc/35/79/99/340357999.db2.gz UXXLSCBNZJKSEB-CYBMUJFWSA-N -1 3 319.351 3.571 20 0 DHADHM Cc1cccc([C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)c1 ZINC000512403846 340360820 /nfs/dbraw/zinc/36/08/20/340360820.db2.gz OQYLSNKVUZVMOV-AWEZNQCLSA-N -1 3 303.352 3.968 20 0 DHADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ncncc1Cl ZINC000175827423 340421017 /nfs/dbraw/zinc/42/10/17/340421017.db2.gz RJVGTNHUPWGFOD-UHFFFAOYSA-N -1 3 314.197 3.758 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2cc(C)c(F)cc2F)s1 ZINC000176150368 340425403 /nfs/dbraw/zinc/42/54/03/340425403.db2.gz RHIRHAUAJBUELB-UHFFFAOYSA-N -1 3 311.357 3.720 20 0 DHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000176389590 340427101 /nfs/dbraw/zinc/42/71/01/340427101.db2.gz GXJPVVGWNCPJFJ-QWHCGFSZSA-N -1 3 316.376 3.523 20 0 DHADHM Cc1nnc(SCc2ncccc2[O-])n1[C@H]1CCC[C@H](C)C1 ZINC000516705187 340454416 /nfs/dbraw/zinc/45/44/16/340454416.db2.gz FSPUNZCACDCNGN-AAEUAGOBSA-N -1 3 318.446 3.731 20 0 DHADHM CCSc1cccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000521147455 340481141 /nfs/dbraw/zinc/48/11/41/340481141.db2.gz XUVCGMPWFDWMGN-UHFFFAOYSA-N -1 3 323.381 3.787 20 0 DHADHM O=C(c1cccn1C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000182908388 340485872 /nfs/dbraw/zinc/48/58/72/340485872.db2.gz KYTMKBVQQZHNMK-UHFFFAOYSA-N -1 3 310.397 3.902 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1ccc(Br)c(F)c1 ZINC000183058577 340486394 /nfs/dbraw/zinc/48/63/94/340486394.db2.gz JHAFDBBVFHGZKK-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1O ZINC000193547463 340579522 /nfs/dbraw/zinc/57/95/22/340579522.db2.gz CSDKZEQTLUIRSI-UHFFFAOYSA-N -1 3 311.259 3.677 20 0 DHADHM O=C(Nc1ccccc1[O-])c1ccnc(Oc2ccccc2)c1 ZINC000522841357 340607917 /nfs/dbraw/zinc/60/79/17/340607917.db2.gz ZJNSNFZQRUFPIW-UHFFFAOYSA-N -1 3 306.321 3.832 20 0 DHADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c1 ZINC000315719486 340676421 /nfs/dbraw/zinc/67/64/21/340676421.db2.gz ZZWRGPBBRTXIPU-ZDUSSCGKSA-N -1 3 305.418 3.689 20 0 DHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)c(C)c1 ZINC000525309766 340699687 /nfs/dbraw/zinc/69/96/87/340699687.db2.gz HAYJKEAJIULFMK-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000069693089 340710821 /nfs/dbraw/zinc/71/08/21/340710821.db2.gz DAHSAJDODZUFPJ-UHFFFAOYSA-N -1 3 305.761 3.680 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N(C1CC1)C1CCCC1 ZINC000528415672 340717335 /nfs/dbraw/zinc/71/73/35/340717335.db2.gz FZGQYIWAPBBLIF-UHFFFAOYSA-N -1 3 324.218 3.702 20 0 DHADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)OCO2 ZINC000328200167 340741701 /nfs/dbraw/zinc/74/17/01/340741701.db2.gz FWVSJUZKWHRNRW-SNVBAGLBSA-N -1 3 305.761 3.625 20 0 DHADHM C[C@@H]1[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])[C@H]1C1CC1 ZINC000529127986 340745476 /nfs/dbraw/zinc/74/54/76/340745476.db2.gz GCQXRPMSSAQNLA-YLJLNXRRSA-N -1 3 315.291 3.521 20 0 DHADHM Cc1cc(F)c(NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000530122210 340779957 /nfs/dbraw/zinc/77/99/57/340779957.db2.gz BLAVXLXQMVEPME-UHFFFAOYSA-N -1 3 307.756 3.773 20 0 DHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146209 340780699 /nfs/dbraw/zinc/78/06/99/340780699.db2.gz AVMFYMBQEKIZAX-UHFFFAOYSA-N -1 3 319.854 3.630 20 0 DHADHM Cc1ccccc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125292803 340803419 /nfs/dbraw/zinc/80/34/19/340803419.db2.gz QISRFGWNGKHPRP-UHFFFAOYSA-N -1 3 309.287 3.901 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC000538745900 340846668 /nfs/dbraw/zinc/84/66/68/340846668.db2.gz JDHOQUSWQOFPIV-AWEZNQCLSA-N -1 3 313.397 3.851 20 0 DHADHM CC(C)c1cc(C(=O)N[C@@H](C)CCCO)c([O-])c(C(C)C)c1 ZINC000538783902 340851306 /nfs/dbraw/zinc/85/13/06/340851306.db2.gz OMYWAOYYDHBOHR-ZDUSSCGKSA-N -1 3 307.434 3.530 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c([O-])c1 ZINC000128225582 340862425 /nfs/dbraw/zinc/86/24/25/340862425.db2.gz OYSXVEYKRAQVMW-INIZCTEOSA-N -1 3 313.372 3.687 20 0 DHADHM Cc1cc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)ccc1Cl ZINC000129309730 340953337 /nfs/dbraw/zinc/95/33/37/340953337.db2.gz NFZZYYIRJQMAHO-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM Cc1cccc([O-])c1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000541845395 340985546 /nfs/dbraw/zinc/98/55/46/340985546.db2.gz UMNOTQXPWGMFDH-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(C)c3[O-])C2)cc1 ZINC000542407883 341007021 /nfs/dbraw/zinc/00/70/21/341007021.db2.gz JFKGSQKXVYNJPA-KRWDZBQOSA-N -1 3 309.409 3.947 20 0 DHADHM CCc1cc(=O)[n-]c(CN[C@H](CC(C)C)c2cccs2)n1 ZINC000543484969 341046962 /nfs/dbraw/zinc/04/69/62/341046962.db2.gz HGRKHWOKHCWVRV-CYBMUJFWSA-N -1 3 305.447 3.683 20 0 DHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000131037069 341056746 /nfs/dbraw/zinc/05/67/46/341056746.db2.gz KIEZTSGDJMQFAD-UHFFFAOYSA-N -1 3 317.744 3.727 20 0 DHADHM CCCCN(CC)Cc1ccc(OC)c([O-])c1Br ZINC000544928660 341099653 /nfs/dbraw/zinc/09/96/53/341099653.db2.gz AVAHPLZVGRTWFP-UHFFFAOYSA-N -1 3 316.239 3.785 20 0 DHADHM C[C@H]1CCC[C@H](CCN(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131686976 341108228 /nfs/dbraw/zinc/10/82/28/341108228.db2.gz OJVMQOFQGKAVEG-QWHCGFSZSA-N -1 3 319.474 3.633 20 0 DHADHM [O-]c1ccc(Cc2nc(Cc3ccccc3)no2)c(Cl)c1 ZINC000131898990 341113353 /nfs/dbraw/zinc/11/33/53/341113353.db2.gz YWUKCYZNKZCNRN-UHFFFAOYSA-N -1 3 300.745 3.610 20 0 DHADHM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)s2)c2c([O-])cccc21 ZINC000545246025 341117067 /nfs/dbraw/zinc/11/70/67/341117067.db2.gz RHZAEDNJQFKDDM-SNVBAGLBSA-N -1 3 314.410 3.880 20 0 DHADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C)cc1 ZINC000073509531 341117665 /nfs/dbraw/zinc/11/76/65/341117665.db2.gz YFXGLASWMHXBNI-QGZVFWFLSA-N -1 3 320.392 3.718 20 0 DHADHM CCc1cccc(-c2nc(-c3ccc(OC)c(C)c3)no2)c1[O-] ZINC000546501815 341171222 /nfs/dbraw/zinc/17/12/22/341171222.db2.gz NGHVKLZMWOHJFR-UHFFFAOYSA-N -1 3 310.353 3.989 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)c(F)c1F ZINC000075285652 341173929 /nfs/dbraw/zinc/17/39/29/341173929.db2.gz XSQVURFQELUENQ-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM [O-]c1ccccc1-c1nc(-c2ccc(OC3CCCC3)nc2)no1 ZINC000547204863 341201133 /nfs/dbraw/zinc/20/11/33/341201133.db2.gz DUHWDCFVVGQDFO-UHFFFAOYSA-N -1 3 323.352 3.826 20 0 DHADHM O=C(/C=C/c1c(Cl)cccc1Cl)[N-]OCC(F)(F)F ZINC000135224259 341233587 /nfs/dbraw/zinc/23/35/87/341233587.db2.gz UBZCGFYXDYJLAO-SNAWJCMRSA-N -1 3 314.090 3.617 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc(F)c(F)c1F ZINC000078733530 341247094 /nfs/dbraw/zinc/24/70/94/341247094.db2.gz IGWJKKNFAUGPAU-UHFFFAOYSA-N -1 3 305.177 3.774 20 0 DHADHM C[C@@H]1CCCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000548275367 341253768 /nfs/dbraw/zinc/25/37/68/341253768.db2.gz BOEGRZQTRWKNCF-GFCCVEGCSA-N -1 3 311.385 3.846 20 0 DHADHM [O-]c1cccc(/C=C/c2nc(C3Cc4ccccc4C3)no2)c1 ZINC000548357781 341256769 /nfs/dbraw/zinc/25/67/69/341256769.db2.gz GUNJUVQXMUPKFB-CMDGGOBGSA-N -1 3 304.349 3.828 20 0 DHADHM CCOc1c(F)cccc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000079692486 341263803 /nfs/dbraw/zinc/26/38/03/341263803.db2.gz AOTIUEJYQYCNEL-UHFFFAOYSA-N -1 3 323.393 3.626 20 0 DHADHM CC(C)(CC(=O)Nc1ccc(Br)cc1[O-])C1CC1 ZINC000549338836 341291495 /nfs/dbraw/zinc/29/14/95/341291495.db2.gz HOTSQSVGSQTQDD-UHFFFAOYSA-N -1 3 312.207 3.920 20 0 DHADHM [O-]c1ccc(-c2noc(CC[C@H]3CCOC3)n2)c2ccccc12 ZINC000551256148 341335717 /nfs/dbraw/zinc/33/57/17/341335717.db2.gz CLPQHQBDBXKKLL-LBPRGKRZSA-N -1 3 310.353 3.565 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000551395558 341340500 /nfs/dbraw/zinc/34/05/00/341340500.db2.gz TWUZJZOUMLYXFV-UHFFFAOYSA-N -1 3 310.246 3.706 20 0 DHADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000551705081 341349417 /nfs/dbraw/zinc/34/94/17/341349417.db2.gz NFDPJZJYTYLDKP-UHFFFAOYSA-N -1 3 310.246 3.706 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2csc(CC(C)C)n2)c1[O-] ZINC000552069147 341367188 /nfs/dbraw/zinc/36/71/88/341367188.db2.gz DYOXSRRYMIOUSY-UHFFFAOYSA-N -1 3 318.398 3.502 20 0 DHADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2F)c1[O-] ZINC000552069075 341367300 /nfs/dbraw/zinc/36/73/00/341367300.db2.gz ALPYNFNCPPAYCN-LLVKDONJSA-N -1 3 315.344 3.866 20 0 DHADHM Cc1ccc(CCC(=O)Nc2cc(Br)ccc2[O-])o1 ZINC000085591231 341371337 /nfs/dbraw/zinc/37/13/37/341371337.db2.gz XTBNCFUPGOGZJN-UHFFFAOYSA-N -1 3 324.174 3.627 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1cc2c(cccc2F)[nH]1 ZINC000552779953 341404175 /nfs/dbraw/zinc/40/41/75/341404175.db2.gz OXQAOUBAGHVTJN-UHFFFAOYSA-N -1 3 304.708 3.918 20 0 DHADHM CCc1c([N-]C(=O)C2(OC)CCCCC2)onc1C(F)(F)F ZINC000566569325 341562104 /nfs/dbraw/zinc/56/21/04/341562104.db2.gz PQWKUONRBRIHLH-UHFFFAOYSA-N -1 3 320.311 3.544 20 0 DHADHM CCCc1nnc([N-]C(=O)c2sc(C)nc2CC(C)C)s1 ZINC000153818958 341579574 /nfs/dbraw/zinc/57/95/74/341579574.db2.gz YUOITRLHYXWJQT-UHFFFAOYSA-N -1 3 324.475 3.706 20 0 DHADHM O=c1[nH]c(-c2cccc([O-])c2)nc2ccc(-c3ccccc3)cc21 ZINC000154613356 341592245 /nfs/dbraw/zinc/59/22/45/341592245.db2.gz NZGODBCWYZPXFO-UHFFFAOYSA-N -1 3 314.344 3.963 20 0 DHADHM Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1[O-] ZINC000276177511 341654908 /nfs/dbraw/zinc/65/49/08/341654908.db2.gz IHQPNLBZICSFNS-LLVKDONJSA-N -1 3 301.308 3.504 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3nc(C)co3)c2)c1 ZINC000163421757 341698262 /nfs/dbraw/zinc/69/82/62/341698262.db2.gz FNXORVHWVGWUSX-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM Fc1ccc2c(-c3nc(-c4ccc5n[n-]nc5c4)no3)coc2c1 ZINC000573420298 341728034 /nfs/dbraw/zinc/72/80/34/341728034.db2.gz PBJUDPXWFNBIBP-UHFFFAOYSA-N -1 3 321.271 3.560 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCc3cccc(O)c32)c1[O-] ZINC000573586408 341732596 /nfs/dbraw/zinc/73/25/96/341732596.db2.gz DWVYCZOOOMSWDO-LBPRGKRZSA-N -1 3 317.772 3.728 20 0 DHADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nn1[C@@H](C)C1CC1 ZINC000575071192 341775230 /nfs/dbraw/zinc/77/52/30/341775230.db2.gz RDXSEDGILSGRNY-JTQLQIEISA-N -1 3 319.792 3.774 20 0 DHADHM CSCc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1F ZINC000175279878 341836681 /nfs/dbraw/zinc/83/66/81/341836681.db2.gz AYYYYFLFNDAVOM-UHFFFAOYSA-N -1 3 305.374 3.955 20 0 DHADHM C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000576649432 341857019 /nfs/dbraw/zinc/85/70/19/341857019.db2.gz XRAZCFCAOCUZLD-GFCCVEGCSA-N -1 3 323.396 3.604 20 0 DHADHM CC(=O)c1c(C)cc(C)c(CN2CCC(CC(=O)[O-])CC2)c1C ZINC000580652614 341892375 /nfs/dbraw/zinc/89/23/75/341892375.db2.gz KQINHESMAJTPGX-UHFFFAOYSA-N -1 3 317.429 3.501 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1SCCc2sccc21 ZINC000178325718 341951621 /nfs/dbraw/zinc/95/16/21/341951621.db2.gz ZEPXEFVZCMJWKC-CYBMUJFWSA-N -1 3 309.387 3.562 20 0 DHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1C ZINC000116980791 518230759 /nfs/dbraw/zinc/23/07/59/518230759.db2.gz LGGGEMBLKAXMME-UHFFFAOYSA-N -1 3 320.776 3.754 20 0 DHADHM CC(C)(C)Sc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000189549728 518914429 /nfs/dbraw/zinc/91/44/29/518914429.db2.gz KFBBEYWRLIJZTG-GFCCVEGCSA-N -1 3 324.446 3.667 20 0 DHADHM O=C([O-])[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H]1C(F)(F)F ZINC000299741062 534525610 /nfs/dbraw/zinc/52/56/10/534525610.db2.gz CNSXGJAGEWHKMH-HUUCEWRRSA-N -1 3 323.314 3.535 20 0 DHADHM CCSCC[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266449283 521714875 /nfs/dbraw/zinc/71/48/75/521714875.db2.gz BSCAZQNZVJDBIQ-LBPRGKRZSA-N -1 3 318.442 3.544 20 0 DHADHM CN(C)Cc1cc(CNCc2cccc([O-])c2Cl)ccc1F ZINC000339263709 521890661 /nfs/dbraw/zinc/89/06/61/521890661.db2.gz JGDLHFDGKLXCEZ-UHFFFAOYSA-N -1 3 322.811 3.536 20 0 DHADHM CC[C@H](C)[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000265646248 522009584 /nfs/dbraw/zinc/00/95/84/522009584.db2.gz LVQZRNBELTYFJH-WCQYABFASA-N -1 3 305.447 3.798 20 0 DHADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(O)cc1[O-] ZINC000126776184 522309627 /nfs/dbraw/zinc/30/96/27/522309627.db2.gz XNFUXNFFTZTFNB-OAHLLOKOSA-N -1 3 313.397 3.581 20 0 DHADHM CC[C@@H](C)c1ccccc1OCC(=O)[N-]c1onc(C)c1C ZINC000266184327 522435271 /nfs/dbraw/zinc/43/52/71/522435271.db2.gz MDSWEFNMOJGZBU-LLVKDONJSA-N -1 3 302.374 3.822 20 0 DHADHM C[C@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000336915991 524221814 /nfs/dbraw/zinc/22/18/14/524221814.db2.gz BRTOPOPEAYHVBX-WCBMZHEXSA-N -1 3 309.822 3.710 20 0 DHADHM Cc1cc(Cl)cc(NC(=O)c2nc3cccnc3s2)c1[O-] ZINC000338187425 524876488 /nfs/dbraw/zinc/87/64/88/524876488.db2.gz RVMWLPYAGFJBHG-UHFFFAOYSA-N -1 3 319.773 3.611 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000188000085 525333137 /nfs/dbraw/zinc/33/31/37/525333137.db2.gz ALMFJLHBUZGYPA-UHFFFAOYSA-N -1 3 301.411 3.782 20 0 DHADHM CSCc1ccccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000339345480 525745412 /nfs/dbraw/zinc/74/54/12/525745412.db2.gz FSMCJACTMWECPD-UHFFFAOYSA-N -1 3 315.320 3.544 20 0 DHADHM CSCc1ccccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000339345480 525745423 /nfs/dbraw/zinc/74/54/23/525745423.db2.gz FSMCJACTMWECPD-UHFFFAOYSA-N -1 3 315.320 3.544 20 0 DHADHM Cc1ccc(-c2nnc([N-]C(=O)c3cscn3)s2)c(C)c1 ZINC000103001594 525853354 /nfs/dbraw/zinc/85/33/54/525853354.db2.gz DLONYYCILBPTBS-UHFFFAOYSA-N -1 3 316.411 3.531 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825186 526035686 /nfs/dbraw/zinc/03/56/86/526035686.db2.gz QFMRNHZEJQVFCI-OTYXRUKQSA-N -1 3 302.201 3.851 20 0 DHADHM CSc1ccsc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000107130306 526204008 /nfs/dbraw/zinc/20/40/08/526204008.db2.gz JVRMYBRUIIVYGZ-UHFFFAOYSA-N -1 3 307.372 3.511 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000338297372 526770422 /nfs/dbraw/zinc/77/04/22/526770422.db2.gz PITZIUSUAQHUIY-KRWDZBQOSA-N -1 3 319.763 3.757 20 0 DHADHM O=C(N[C@@H](c1cccnc1)C1CCCCC1)c1cccc([O-])c1 ZINC000365023243 526872980 /nfs/dbraw/zinc/87/29/80/526872980.db2.gz UXSVJLWKICCDCN-GOSISDBHSA-N -1 3 310.397 3.839 20 0 DHADHM O=C(NC1(c2ccc(F)cc2)CC1)c1cc([O-])ccc1Cl ZINC000339961632 527474435 /nfs/dbraw/zinc/47/44/35/527474435.db2.gz GJRWWTWBJLMGQT-UHFFFAOYSA-N -1 3 305.736 3.604 20 0 DHADHM CC(C)[C@H](CNCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000277397937 535017167 /nfs/dbraw/zinc/01/71/67/535017167.db2.gz RTNCJVJBYBDUSB-NSHDSACASA-N -1 3 323.742 3.805 20 0 DHADHM Cc1ccccc1CSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737427868 598934611 /nfs/dbraw/zinc/93/46/11/598934611.db2.gz HQGOCGMVPGSRDI-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM Cc1ccccc1CSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737427868 598934612 /nfs/dbraw/zinc/93/46/12/598934612.db2.gz HQGOCGMVPGSRDI-UHFFFAOYSA-N -1 3 317.805 3.516 20 0 DHADHM c1cc(-c2nnn[n-]2)ccc1SCCOC1CCCCCC1 ZINC000738413590 598938823 /nfs/dbraw/zinc/93/88/23/598938823.db2.gz XSBVPQXKPLIYAN-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM c1cc(-c2nn[n-]n2)ccc1SCCOC1CCCCCC1 ZINC000738413590 598938825 /nfs/dbraw/zinc/93/88/25/598938825.db2.gz XSBVPQXKPLIYAN-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM C[C@@H](SC1=Nc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189130 598939391 /nfs/dbraw/zinc/93/93/91/598939391.db2.gz NZYMADULSMTBTO-LLVKDONJSA-N -1 3 321.409 3.947 20 0 DHADHM C[C@@H](SC1=Nc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189130 598939392 /nfs/dbraw/zinc/93/93/92/598939392.db2.gz NZYMADULSMTBTO-LLVKDONJSA-N -1 3 321.409 3.947 20 0 DHADHM Cc1c2ccccc2oc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737210136 599058236 /nfs/dbraw/zinc/05/82/36/599058236.db2.gz CDZAJNDZVJBFJP-UHFFFAOYSA-N -1 3 305.341 3.533 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735644074 599064005 /nfs/dbraw/zinc/06/40/05/599064005.db2.gz SXFJQOURXZITNI-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735644074 599064008 /nfs/dbraw/zinc/06/40/08/599064008.db2.gz SXFJQOURXZITNI-UHFFFAOYSA-N -1 3 323.400 3.656 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc(Cl)cc1 ZINC000737643726 599065822 /nfs/dbraw/zinc/06/58/22/599065822.db2.gz FDJGANQSVIQYHO-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc(Cl)cc1 ZINC000737643726 599065825 /nfs/dbraw/zinc/06/58/25/599065825.db2.gz FDJGANQSVIQYHO-UHFFFAOYSA-N -1 3 320.780 3.952 20 0 DHADHM CC(C)(C)C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000735594313 599118479 /nfs/dbraw/zinc/11/84/79/599118479.db2.gz QTXLNXBQDAMIHK-HNNXBMFYSA-N -1 3 322.416 3.851 20 0 DHADHM CC(C)(C)C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000735594313 599118482 /nfs/dbraw/zinc/11/84/82/599118482.db2.gz QTXLNXBQDAMIHK-HNNXBMFYSA-N -1 3 322.416 3.851 20 0 DHADHM Fc1cc(-c2nnn[n-]2)ccc1SC/C=C/c1ccccc1 ZINC000737645070 599174088 /nfs/dbraw/zinc/17/40/88/599174088.db2.gz PVBXNBJPYXJVHN-QPJJXVBHSA-N -1 3 312.373 3.811 20 0 DHADHM Fc1cc(-c2nn[n-]n2)ccc1SC/C=C/c1ccccc1 ZINC000737645070 599174089 /nfs/dbraw/zinc/17/40/89/599174089.db2.gz PVBXNBJPYXJVHN-QPJJXVBHSA-N -1 3 312.373 3.811 20 0 DHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cnc2ccsc2c1 ZINC000818054074 597244734 /nfs/dbraw/zinc/24/47/34/597244734.db2.gz XCWLURWJLDQHDW-NSHDSACASA-N -1 3 312.394 3.845 20 0 DHADHM O=C([O-])CCCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000821518375 597798233 /nfs/dbraw/zinc/79/82/33/597798233.db2.gz YLLLDRQVYMTQTF-CQSZACIVSA-N -1 3 302.374 3.610 20 0 DHADHM CCC(=O)c1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820841577 607325688 /nfs/dbraw/zinc/32/56/88/607325688.db2.gz ABJFBIRVBILJKF-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM CCC(=O)c1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820841577 607325689 /nfs/dbraw/zinc/32/56/89/607325689.db2.gz ABJFBIRVBILJKF-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM CCC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820841578 607325714 /nfs/dbraw/zinc/32/57/14/607325714.db2.gz ABJFBIRVBILJKF-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM CCC(=O)c1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820841578 607325715 /nfs/dbraw/zinc/32/57/15/607325715.db2.gz ABJFBIRVBILJKF-LBPRGKRZSA-N -1 3 321.384 3.633 20 0 DHADHM c1ccc([C@H](Nc2ncccc2-c2nnn[n-]2)C2CCCC2)cc1 ZINC000738428606 598521972 /nfs/dbraw/zinc/52/19/72/598521972.db2.gz PKRUYCMIXIOTFL-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@H](Nc2ncccc2-c2nn[n-]n2)C2CCCC2)cc1 ZINC000738428606 598521973 /nfs/dbraw/zinc/52/19/73/598521973.db2.gz PKRUYCMIXIOTFL-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737342870 598638031 /nfs/dbraw/zinc/63/80/31/598638031.db2.gz SITZQMCAPLZGFV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737342870 598638033 /nfs/dbraw/zinc/63/80/33/598638033.db2.gz SITZQMCAPLZGFV-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000737380740 598776002 /nfs/dbraw/zinc/77/60/02/598776002.db2.gz QVGSUTPOIFMGBY-UHFFFAOYSA-N -1 3 319.393 3.966 20 0 DHADHM Cc1cccc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000737380740 598776004 /nfs/dbraw/zinc/77/60/04/598776004.db2.gz QVGSUTPOIFMGBY-UHFFFAOYSA-N -1 3 319.393 3.966 20 0 DHADHM CCc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000736691781 598792892 /nfs/dbraw/zinc/79/28/92/598792892.db2.gz PAQYKRMFFLIWCZ-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM CCc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000736691781 598792893 /nfs/dbraw/zinc/79/28/93/598792893.db2.gz PAQYKRMFFLIWCZ-UHFFFAOYSA-N -1 3 319.821 3.756 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194907 598813768 /nfs/dbraw/zinc/81/37/68/598813768.db2.gz DUNCBWJNYHKWPK-GFCCVEGCSA-N -1 3 319.368 3.810 20 0 DHADHM Cc1ncc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737491601 599327111 /nfs/dbraw/zinc/32/71/11/599327111.db2.gz MAAAUAOFUDVABA-SECBINFHSA-N -1 3 317.443 3.626 20 0 DHADHM Cc1ncc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737491601 599327114 /nfs/dbraw/zinc/32/71/14/599327114.db2.gz MAAAUAOFUDVABA-SECBINFHSA-N -1 3 317.443 3.626 20 0 DHADHM c1ccc(-c2nnn[n-]2)c(SCCOC2CCCCCC2)c1 ZINC000823773526 599343325 /nfs/dbraw/zinc/34/33/25/599343325.db2.gz ULGGSMYBWKQRDW-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM c1ccc(-c2nn[n-]n2)c(SCCOC2CCCCCC2)c1 ZINC000823773526 599343328 /nfs/dbraw/zinc/34/33/28/599343328.db2.gz ULGGSMYBWKQRDW-UHFFFAOYSA-N -1 3 318.446 3.698 20 0 DHADHM c1ccc2nc(CSc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000823771712 599351624 /nfs/dbraw/zinc/35/16/24/599351624.db2.gz CVQOCYJXJQUTLN-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM c1ccc2nc(CSc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000823771712 599351628 /nfs/dbraw/zinc/35/16/28/599351628.db2.gz CVQOCYJXJQUTLN-UHFFFAOYSA-N -1 3 319.393 3.707 20 0 DHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821985096 599363428 /nfs/dbraw/zinc/36/34/28/599363428.db2.gz YXBIMSNJMXALIH-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821985096 599363430 /nfs/dbraw/zinc/36/34/30/599363430.db2.gz YXBIMSNJMXALIH-NSHDSACASA-N -1 3 311.414 3.762 20 0 DHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820173336 599368432 /nfs/dbraw/zinc/36/84/32/599368432.db2.gz ALOAOIHTEISGLT-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820173336 599368434 /nfs/dbraw/zinc/36/84/34/599368434.db2.gz ALOAOIHTEISGLT-CYBMUJFWSA-N -1 3 323.400 3.827 20 0 DHADHM Cc1cc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC000822212794 599376338 /nfs/dbraw/zinc/37/63/38/599376338.db2.gz HUAXCMNVCPPHSM-GFCCVEGCSA-N -1 3 318.384 3.830 20 0 DHADHM Cc1cc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC000822212794 599376341 /nfs/dbraw/zinc/37/63/41/599376341.db2.gz HUAXCMNVCPPHSM-GFCCVEGCSA-N -1 3 318.384 3.830 20 0 DHADHM Cc1cc(CN2CCC(n3c(C)ccc3C)CC2)oc1C(=O)[O-] ZINC000738381686 599714716 /nfs/dbraw/zinc/71/47/16/599714716.db2.gz CDDUZUFWEFMODG-UHFFFAOYSA-N -1 3 316.401 3.542 20 0 DHADHM CC(C)[C@@H](C)N(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000574164250 599809272 /nfs/dbraw/zinc/80/92/72/599809272.db2.gz JEVSEHNBAJNRRP-GFCCVEGCSA-N -1 3 318.442 3.985 20 0 DHADHM COc1ccccc1[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000738126655 599993063 /nfs/dbraw/zinc/99/30/63/599993063.db2.gz HZWUUMHATAIMFH-HNNXBMFYSA-N -1 3 315.369 3.714 20 0 DHADHM COc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738093726 600427035 /nfs/dbraw/zinc/42/70/35/600427035.db2.gz YIWSBUUWIUKBIF-ZBEGNZNMSA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000739508173 600428309 /nfs/dbraw/zinc/42/83/09/600428309.db2.gz MAMPGGWKAZXGLG-HZPDHXFCSA-N -1 3 319.763 3.882 20 0 DHADHM CC(C)(CCC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000736319811 600444845 /nfs/dbraw/zinc/44/48/45/600444845.db2.gz LNGLHEGPYXHNKA-UHFFFAOYSA-N -1 3 310.444 3.605 20 0 DHADHM CCC[C@](C)(NCc1csc(Nc2ccccc2)n1)C(=O)[O-] ZINC000736962369 600462502 /nfs/dbraw/zinc/46/25/02/600462502.db2.gz IGAOROQRDJKXDJ-INIZCTEOSA-N -1 3 319.430 3.620 20 0 DHADHM O=C([O-])[C@H](NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000738523669 600502595 /nfs/dbraw/zinc/50/25/95/600502595.db2.gz CPCCSNJVPXFRDE-GOSISDBHSA-N -1 3 311.381 3.533 20 0 DHADHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832921074 600744544 /nfs/dbraw/zinc/74/45/44/600744544.db2.gz KTTHGCHUIRTWGA-SUMWQHHRSA-N -1 3 301.361 3.919 20 0 DHADHM C[C@@H]1C[C@H](C)CN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000515660335 600831313 /nfs/dbraw/zinc/83/13/13/600831313.db2.gz WNOCHRNVIIPIAJ-NWDGAFQWSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2occc2C(=O)[O-])C1 ZINC000516975504 600836225 /nfs/dbraw/zinc/83/62/25/600836225.db2.gz AHEDWINBIBMECW-IAQYHMDHSA-N -1 3 303.333 3.700 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000578660338 600973045 /nfs/dbraw/zinc/97/30/45/600973045.db2.gz CRMORGCTCAWLER-CVEARBPZSA-N -1 3 321.417 3.538 20 0 DHADHM C/C(=C\CNC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC000825747773 601159145 /nfs/dbraw/zinc/15/91/45/601159145.db2.gz YHDFOGBDZLPCHN-RUDMXATFSA-N -1 3 300.185 3.603 20 0 DHADHM C/C(=C/CN1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825740859 601163302 /nfs/dbraw/zinc/16/33/02/601163302.db2.gz CHUXRASTLAXZHT-KOTGUFOOSA-N -1 3 313.319 3.873 20 0 DHADHM C[C@@](NCc1csc(C2CCCCC2)n1)(C(=O)[O-])C1CC1 ZINC000827741671 601171988 /nfs/dbraw/zinc/17/19/88/601171988.db2.gz PKJIIHWQUZWJML-INIZCTEOSA-N -1 3 308.447 3.534 20 0 DHADHM C[C@@H]1[C@@H](C)CCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828295505 601450961 /nfs/dbraw/zinc/45/09/61/601450961.db2.gz ISZKOTTZBLPAKV-NWDGAFQWSA-N -1 3 316.426 3.739 20 0 DHADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827934362 601616333 /nfs/dbraw/zinc/61/63/33/601616333.db2.gz FHSXKLIXNDWSDS-LLVKDONJSA-N -1 3 305.324 3.856 20 0 DHADHM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])sc2C)o1 ZINC000652415988 601640352 /nfs/dbraw/zinc/64/03/52/601640352.db2.gz XJKZTTORVLJCOX-CYBMUJFWSA-N -1 3 305.399 3.993 20 0 DHADHM O=C([O-])c1sccc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000833347515 601811970 /nfs/dbraw/zinc/81/19/70/601811970.db2.gz JAOASRIYPSSXTH-UHFFFAOYSA-N -1 3 317.410 3.564 20 0 DHADHM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])s1 ZINC000833059774 601961981 /nfs/dbraw/zinc/96/19/81/601961981.db2.gz WTXIQRWQDIGTBK-AWEZNQCLSA-N -1 3 304.415 3.512 20 0 DHADHM CC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccc(Cl)cc2)n1 ZINC000828665011 602217947 /nfs/dbraw/zinc/21/79/47/602217947.db2.gz NGKLKFVFROAHEU-MRXNPFEDSA-N -1 3 322.792 3.728 20 0 DHADHM Fc1ccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826373125 607645294 /nfs/dbraw/zinc/64/52/94/607645294.db2.gz ZXORDNLDGVGPBP-UHFFFAOYSA-N -1 3 323.356 3.796 20 0 DHADHM Fc1ccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826373125 607645295 /nfs/dbraw/zinc/64/52/95/607645295.db2.gz ZXORDNLDGVGPBP-UHFFFAOYSA-N -1 3 323.356 3.796 20 0 DHADHM FC(F)(F)CCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000826367935 607712491 /nfs/dbraw/zinc/71/24/91/607712491.db2.gz VALQRMOCHYUFAF-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM FC(F)(F)CCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000826367935 607712493 /nfs/dbraw/zinc/71/24/93/607712493.db2.gz VALQRMOCHYUFAF-UHFFFAOYSA-N -1 3 302.325 3.691 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2c2ccccc2Cl)O1 ZINC000833586100 604827373 /nfs/dbraw/zinc/82/73/73/604827373.db2.gz XBPRDNXKAGFRRU-MLGOLLRUSA-N -1 3 321.804 3.624 20 0 DHADHM C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000317297362 604951409 /nfs/dbraw/zinc/95/14/09/604951409.db2.gz RHJRCBOZFHYWFM-NWDGAFQWSA-N -1 3 311.372 3.849 20 0 DHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000827718508 604994471 /nfs/dbraw/zinc/99/44/71/604994471.db2.gz UFZHFIVHSXJBHU-CXAGYDPISA-N -1 3 312.413 3.856 20 0 DHADHM CC[C@H](NCc1cc(C(=O)[O-])oc1C)c1ccc(OC)cc1 ZINC000833644546 605062919 /nfs/dbraw/zinc/06/29/19/605062919.db2.gz QQVPYXRVPLUCHS-HNNXBMFYSA-N -1 3 303.358 3.536 20 0 DHADHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(Cl)c1 ZINC000833497695 605103415 /nfs/dbraw/zinc/10/34/15/605103415.db2.gz FVEVXXFIDIKHTJ-UHFFFAOYSA-N -1 3 306.793 3.777 20 0 DHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825397907 605117584 /nfs/dbraw/zinc/11/75/84/605117584.db2.gz ROBPXMULSRTNIA-NWDGAFQWSA-N -1 3 304.415 3.928 20 0 DHADHM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1cccc(C)c1 ZINC000833678217 605143642 /nfs/dbraw/zinc/14/36/42/605143642.db2.gz KWFZPSMZCSQBQF-UHFFFAOYSA-N -1 3 301.386 3.874 20 0 DHADHM C[C@@H]1CCC[C@@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652366975 605211063 /nfs/dbraw/zinc/21/10/63/605211063.db2.gz ASEGDQDIPUZESO-CHWSQXEVSA-N -1 3 314.385 3.803 20 0 DHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000833420273 605549477 /nfs/dbraw/zinc/54/94/77/605549477.db2.gz PVOZONGTQXEIRF-LLVKDONJSA-N -1 3 301.839 3.724 20 0 DHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000833606717 605704129 /nfs/dbraw/zinc/70/41/29/605704129.db2.gz URVLOUUABZYHCI-ZWNOBZJWSA-N -1 3 301.308 3.548 20 0 DHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000834157587 605808144 /nfs/dbraw/zinc/80/81/44/605808144.db2.gz HPYXHPQVABSIBM-KURKYZTESA-N -1 3 323.396 3.576 20 0 DHADHM Cc1c2ccccc2nc(-c2ccccc2F)c1-c1nnn[n-]1 ZINC000822015949 606020432 /nfs/dbraw/zinc/02/04/32/606020432.db2.gz RBWJORXYYGPLCD-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM Cc1c2ccccc2nc(-c2ccccc2F)c1-c1nn[n-]n1 ZINC000822015949 606020434 /nfs/dbraw/zinc/02/04/34/606020434.db2.gz RBWJORXYYGPLCD-UHFFFAOYSA-N -1 3 305.316 3.529 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1cc(-c2nn[n-]n2)cs1 ZINC000819709666 606301556 /nfs/dbraw/zinc/30/15/56/606301556.db2.gz OAOMJLDNLXOQGV-FPLPWBNLSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1ccc2ccccc2n1)c1cc(-c2nnn[n-]2)cs1 ZINC000819709666 606301554 /nfs/dbraw/zinc/30/15/54/606301554.db2.gz OAOMJLDNLXOQGV-FPLPWBNLSA-N -1 3 305.366 3.647 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000819709802 606386753 /nfs/dbraw/zinc/38/67/53/606386753.db2.gz PRVCFVLZLHIUEF-SOFGYWHQSA-N -1 3 311.395 3.708 20 0 DHADHM Cc1ccccc1[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC000822351973 606643612 /nfs/dbraw/zinc/64/36/12/606643612.db2.gz SLBMZVPFXPHRJU-OAHLLOKOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1ccccc1[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC000822351973 606643613 /nfs/dbraw/zinc/64/36/13/606643613.db2.gz SLBMZVPFXPHRJU-OAHLLOKOSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C)c1 ZINC000822288748 606643766 /nfs/dbraw/zinc/64/37/66/606643766.db2.gz IIUFNNWNHPZACL-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM Cc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C)c1 ZINC000822288748 606643767 /nfs/dbraw/zinc/64/37/67/606643767.db2.gz IIUFNNWNHPZACL-MRXNPFEDSA-N -1 3 322.416 3.769 20 0 DHADHM CC[C@@H](C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000820881627 606663510 /nfs/dbraw/zinc/66/35/10/606663510.db2.gz CBQYLWXTAGADBS-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM CC[C@@H](C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000820881627 606663511 /nfs/dbraw/zinc/66/35/11/606663511.db2.gz CBQYLWXTAGADBS-GFCCVEGCSA-N -1 3 321.384 3.633 20 0 DHADHM CCCc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821143004 606926868 /nfs/dbraw/zinc/92/68/68/606926868.db2.gz NUIIEHVWFQXHFZ-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM CCCc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821143004 606926870 /nfs/dbraw/zinc/92/68/70/606926870.db2.gz NUIIEHVWFQXHFZ-UHFFFAOYSA-N -1 3 311.364 3.570 20 0 DHADHM FC1(F)CCC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822737234 607131506 /nfs/dbraw/zinc/13/15/06/607131506.db2.gz RKIWJAJPTVVHPW-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822737234 607131508 /nfs/dbraw/zinc/13/15/08/607131508.db2.gz RKIWJAJPTVVHPW-VIFPVBQESA-N -1 3 313.739 3.510 20 0 DHADHM FC(F)(F)CCCCSCc1cccc(-c2nnn[n-]2)c1 ZINC000826368009 607785925 /nfs/dbraw/zinc/78/59/25/607785925.db2.gz YCUXDQAYPUKDIJ-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM FC(F)(F)CCCCSCc1cccc(-c2nn[n-]n2)c1 ZINC000826368009 607785926 /nfs/dbraw/zinc/78/59/26/607785926.db2.gz YCUXDQAYPUKDIJ-UHFFFAOYSA-N -1 3 316.352 3.833 20 0 DHADHM CC(C)n1c2cc(F)ccc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824371435 607974817 /nfs/dbraw/zinc/97/48/17/607974817.db2.gz FZQHUOXKTQVFMR-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM CC(C)n1c2cc(F)ccc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824371435 607974818 /nfs/dbraw/zinc/97/48/18/607974818.db2.gz FZQHUOXKTQVFMR-UHFFFAOYSA-N -1 3 322.347 3.603 20 0 DHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(Cl)cc1 ZINC000825782586 607975741 /nfs/dbraw/zinc/97/57/41/607975741.db2.gz HVEACOJRNVZONK-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(Cl)cc1 ZINC000825782586 607975742 /nfs/dbraw/zinc/97/57/42/607975742.db2.gz HVEACOJRNVZONK-UHFFFAOYSA-N -1 3 324.775 3.557 20 0 DHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)C(CC)CC)s1 ZINC000825694439 608061378 /nfs/dbraw/zinc/06/13/78/608061378.db2.gz PYUFSZLBPFVFKB-SECBINFHSA-N -1 3 321.450 3.501 20 0 DHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)C(CC)CC)s1 ZINC000825694439 608061379 /nfs/dbraw/zinc/06/13/79/608061379.db2.gz PYUFSZLBPFVFKB-SECBINFHSA-N -1 3 321.450 3.501 20 0 DHADHM COc1c(C)ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826167174 609158077 /nfs/dbraw/zinc/15/80/77/609158077.db2.gz SHTFNHPSDDFNNA-CYBMUJFWSA-N -1 3 323.400 3.665 20 0 DHADHM COc1c(C)ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826167174 609158079 /nfs/dbraw/zinc/15/80/79/609158079.db2.gz SHTFNHPSDDFNNA-CYBMUJFWSA-N -1 3 323.400 3.665 20 0 DHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824657225 609267003 /nfs/dbraw/zinc/26/70/03/609267003.db2.gz PVOHTNFUHGSPIR-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824657225 609267004 /nfs/dbraw/zinc/26/70/04/609267004.db2.gz PVOHTNFUHGSPIR-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM c1ccc([C@H](CC2CCC2)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000826520968 609321814 /nfs/dbraw/zinc/32/18/14/609321814.db2.gz WKFVBFMDWPMPIN-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM c1ccc([C@H](CC2CCC2)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000826520968 609321816 /nfs/dbraw/zinc/32/18/16/609321816.db2.gz WKFVBFMDWPMPIN-INIZCTEOSA-N -1 3 320.400 3.605 20 0 DHADHM C[C@@H](Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663219 609346361 /nfs/dbraw/zinc/34/63/61/609346361.db2.gz WRPCRDJUFVRIQR-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM C[C@@H](Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663219 609346363 /nfs/dbraw/zinc/34/63/63/609346363.db2.gz WRPCRDJUFVRIQR-SECBINFHSA-N -1 3 317.755 3.832 20 0 DHADHM CCc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825723336 609346499 /nfs/dbraw/zinc/34/64/99/609346499.db2.gz YQLLLKZOZICNOR-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM CCc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825723336 609346501 /nfs/dbraw/zinc/34/65/01/609346501.db2.gz YQLLLKZOZICNOR-NSHDSACASA-N -1 3 311.364 3.741 20 0 DHADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826268303 609350621 /nfs/dbraw/zinc/35/06/21/609350621.db2.gz RYTGFMFBHSIHPL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(F)cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826268303 609350624 /nfs/dbraw/zinc/35/06/24/609350624.db2.gz RYTGFMFBHSIHPL-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1cc(C)c(NCc2cccc(-c3nnn[n-]3)c2F)c(C)c1 ZINC000826263677 609476223 /nfs/dbraw/zinc/47/62/23/609476223.db2.gz MAFSXHBAOUWLAC-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM Cc1cc(C)c(NCc2cccc(-c3nn[n-]n3)c2F)c(C)c1 ZINC000826263677 609476225 /nfs/dbraw/zinc/47/62/25/609476225.db2.gz MAFSXHBAOUWLAC-UHFFFAOYSA-N -1 3 311.364 3.543 20 0 DHADHM CC[C@H](C)CCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825059768 609505969 /nfs/dbraw/zinc/50/59/69/609505969.db2.gz KIFWDGPDVAVQLU-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CC[C@H](C)CCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825059768 609505970 /nfs/dbraw/zinc/50/59/70/609505970.db2.gz KIFWDGPDVAVQLU-NSHDSACASA-N -1 3 319.384 3.551 20 0 DHADHM CSc1ccc([O-])c(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000665881524 1013059850 /nfs/dbraw/zinc/05/98/50/1013059850.db2.gz ZFQATEFNYCIMMW-UHFFFAOYSA-N -1 3 313.422 3.919 20 0 DHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2ccccc2C)c1 ZINC000824014264 946546919 /nfs/dbraw/zinc/54/69/19/946546919.db2.gz GVGBJRMUXGIQKR-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2ccccc2C)c1 ZINC000824014264 946546929 /nfs/dbraw/zinc/54/69/29/946546929.db2.gz GVGBJRMUXGIQKR-LBPRGKRZSA-N -1 3 321.384 3.551 20 0 DHADHM C[C@@H](CSc1cccc(Cl)c1-c1nnn[n-]1)C(F)(F)F ZINC000824448182 946710743 /nfs/dbraw/zinc/71/07/43/946710743.db2.gz GRQOXKIMARPAHH-LURJTMIESA-N -1 3 322.743 3.811 20 0 DHADHM C[C@@H](CSc1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824448182 946710746 /nfs/dbraw/zinc/71/07/46/946710746.db2.gz GRQOXKIMARPAHH-LURJTMIESA-N -1 3 322.743 3.811 20 0 DHADHM C[C@@H]1CCCC[C@@H]1CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576170113 949702236 /nfs/dbraw/zinc/70/22/36/949702236.db2.gz KPMHCNKYBTXFDD-TZMCWYRMSA-N -1 3 311.433 3.982 20 0 DHADHM C[C@@H]1CCCC[C@@H]1CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576170113 949702254 /nfs/dbraw/zinc/70/22/54/949702254.db2.gz KPMHCNKYBTXFDD-TZMCWYRMSA-N -1 3 311.433 3.982 20 0 DHADHM O=C([O-])C1(CCN(Cc2ccc(F)cc2F)C2CC2)CCC1 ZINC001594879562 954410565 /nfs/dbraw/zinc/41/05/65/954410565.db2.gz JRYVVAGKRTZNRJ-UHFFFAOYSA-N -1 3 309.356 3.574 20 0 DHADHM CC(C)(C)c1csc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000387565724 972128064 /nfs/dbraw/zinc/12/80/64/972128064.db2.gz LYVZRFOOISJROY-LBPRGKRZSA-N -1 3 324.490 3.763 20 0 DHADHM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)nc1 ZINC001589124411 956158340 /nfs/dbraw/zinc/15/83/40/956158340.db2.gz XFRPOUCWOJVKPJ-LKTVYLICSA-N -1 3 316.788 3.699 20 0 DHADHM C[C@@](NCc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001262156815 957269003 /nfs/dbraw/zinc/26/90/03/957269003.db2.gz FMTDETSZMDIKLN-INIZCTEOSA-N -1 3 307.752 3.569 20 0 DHADHM O=C([O-])[C@H](NCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000037966581 957340373 /nfs/dbraw/zinc/34/03/73/957340373.db2.gz LYZNVADVMMJFQN-GFCCVEGCSA-N -1 3 316.209 3.970 20 0 DHADHM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC001594382286 958645929 /nfs/dbraw/zinc/64/59/29/958645929.db2.gz YGIKAZFKEDVZGR-KRWDZBQOSA-N -1 3 312.344 3.531 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(CC(C)C)nc2)C(=O)[O-])c1 ZINC001594397879 958788889 /nfs/dbraw/zinc/78/88/89/958788889.db2.gz NUEKWFBETSFYDC-SFHVURJKSA-N -1 3 312.413 3.504 20 0 DHADHM CC(C)[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226720071 959895440 /nfs/dbraw/zinc/89/54/40/959895440.db2.gz MPXBWWRCPNBJHD-SNVBAGLBSA-N -1 3 314.223 3.624 20 0 DHADHM CCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000045905004 1013209789 /nfs/dbraw/zinc/20/97/89/1013209789.db2.gz WSLBFLAFELOKMV-UHFFFAOYSA-N -1 3 317.748 3.675 20 0 DHADHM C[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001332232498 961542483 /nfs/dbraw/zinc/54/24/83/961542483.db2.gz QLJOJLWIUCXQRQ-YPMHNXCESA-N -1 3 321.726 3.740 20 0 DHADHM CC(C)C[C@H](CNCc1c(Cl)cncc1Cl)CC(=O)[O-] ZINC001588894994 962234046 /nfs/dbraw/zinc/23/40/46/962234046.db2.gz VHYYZKJSIZVMAZ-JTQLQIEISA-N -1 3 319.232 3.615 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000426638627 1013326293 /nfs/dbraw/zinc/32/62/93/1013326293.db2.gz RQXPQORWXKHUIH-NSHDSACASA-N -1 3 324.471 3.995 20 0 DHADHM CSc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000032766594 1013381047 /nfs/dbraw/zinc/38/10/47/1013381047.db2.gz LNRVGIJONJYWCZ-UHFFFAOYSA-N -1 3 310.378 3.502 20 0 DHADHM [O-]c1cccc2sc(Nc3c(F)cc(CO)cc3F)nc21 ZINC001214086382 1013383445 /nfs/dbraw/zinc/38/34/45/1013383445.db2.gz YLCSQNIMMBQFLH-UHFFFAOYSA-N -1 3 308.309 3.516 20 0 DHADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)C[C@@H](C)CC)nc2)n1 ZINC000579901279 1013428081 /nfs/dbraw/zinc/42/80/81/1013428081.db2.gz HVAOWHNBSIIRIG-ZDUSSCGKSA-N -1 3 314.433 3.679 20 0 DHADHM C[C@@H](NCC[C@H](C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000315264765 963871819 /nfs/dbraw/zinc/87/18/19/963871819.db2.gz CTFYCPGAXGXCIS-NWDGAFQWSA-N -1 3 304.415 3.686 20 0 DHADHM COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000416305753 1013648665 /nfs/dbraw/zinc/64/86/65/1013648665.db2.gz JCXMFNBPQDVCDN-GJZGRUSLSA-N -1 3 305.418 3.688 20 0 DHADHM CC(C)COc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000262695980 967826467 /nfs/dbraw/zinc/82/64/67/967826467.db2.gz HWHHSVMABNUVBK-UHFFFAOYSA-N -1 3 313.397 3.709 20 0 DHADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000650794260 968606369 /nfs/dbraw/zinc/60/63/69/968606369.db2.gz YADGJHVSSNTRKC-IAQYHMDHSA-N -1 3 303.333 3.523 20 0 DHADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCCC1)c1ccco1 ZINC000188607321 1013890881 /nfs/dbraw/zinc/89/08/81/1013890881.db2.gz SOZXOTSVRLGWOA-MRXNPFEDSA-N -1 3 323.389 3.629 20 0 DHADHM CC[C@@H]1CCC[C@H](CN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000394528978 972718121 /nfs/dbraw/zinc/71/81/21/972718121.db2.gz VZRZSULVNGQRQW-RVKKMQEKSA-N -1 3 301.430 3.887 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OC1CCC1 ZINC000129574795 1014078391 /nfs/dbraw/zinc/07/83/91/1014078391.db2.gz PIGGKHRROYQDLA-UHFFFAOYSA-N -1 3 301.317 3.715 20 0 DHADHM CC(C)Sc1cccc(Cl)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000263535785 1025087914 /nfs/dbraw/zinc/08/79/14/1025087914.db2.gz ZCINILFAHWGGQE-LLVKDONJSA-N -1 3 315.866 3.993 20 0 DHADHM Cc1cccc([C@@H](NCc2ccccc2OC(F)F)C(=O)[O-])c1 ZINC001605330121 973205720 /nfs/dbraw/zinc/20/57/20/973205720.db2.gz NUGSISACDRREPX-OAHLLOKOSA-N -1 3 321.323 3.512 20 0 DHADHM Cc1oc(CN(C)CCCc2c(F)cccc2F)cc1C(=O)[O-] ZINC000656190959 1014100394 /nfs/dbraw/zinc/10/03/94/1014100394.db2.gz XRDQUFOXUMOQMP-UHFFFAOYSA-N -1 3 323.339 3.629 20 0 DHADHM CCO[C@@H](CC)c1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000665040646 1014164019 /nfs/dbraw/zinc/16/40/19/1014164019.db2.gz RKZPLHXJJLEOJB-LBPRGKRZSA-N -1 3 318.373 3.643 20 0 DHADHM C[C@H](c1nc2ccccc2s1)N(C)CC1(CC(=O)[O-])CC1 ZINC000515306183 974297673 /nfs/dbraw/zinc/29/76/73/974297673.db2.gz YFHKMISNGYMHNL-LLVKDONJSA-N -1 3 304.415 3.544 20 0 DHADHM O=C([O-])c1occc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000519712575 974333967 /nfs/dbraw/zinc/33/39/67/974333967.db2.gz WUUZRNAROMBAOC-UHFFFAOYSA-N -1 3 321.323 3.636 20 0 DHADHM CC[C@H]1CC[C@H](C)N1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563281559 974525848 /nfs/dbraw/zinc/52/58/48/974525848.db2.gz CIAIRQRVKDRXTB-LRDDRELGSA-N -1 3 314.385 3.803 20 0 DHADHM CCO[C@H]1C[C@@H](N(C)Cc2cc(C)c(C(=O)[O-])o2)C1(CC)CC ZINC000565106441 974571737 /nfs/dbraw/zinc/57/17/37/974571737.db2.gz QDABUYPCQSXTMT-CABCVRRESA-N -1 3 323.433 3.702 20 0 DHADHM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000565112022 974574558 /nfs/dbraw/zinc/57/45/58/974574558.db2.gz OVPZNQMUSJYJNX-ZANVPECISA-N -1 3 302.201 3.679 20 0 DHADHM CC1(C)[C@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000568064310 974657918 /nfs/dbraw/zinc/65/79/18/974657918.db2.gz AJGARWDHDIVZAL-ZDUSSCGKSA-N -1 3 316.426 3.609 20 0 DHADHM CC[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000578369365 974853802 /nfs/dbraw/zinc/85/38/02/974853802.db2.gz HFPHXJKHPXZHRM-LBPRGKRZSA-N -1 3 316.426 3.740 20 0 DHADHM O=C([O-])c1csc(CN2CCC[C@@H]2CC2CCCCC2)n1 ZINC000584118610 974950482 /nfs/dbraw/zinc/95/04/82/974950482.db2.gz DFIXXTDXPYXODA-CYBMUJFWSA-N -1 3 308.447 3.776 20 0 DHADHM CC(C)C[C@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000629484039 975093815 /nfs/dbraw/zinc/09/38/15/975093815.db2.gz OICFIKIQTPIVIG-CYBMUJFWSA-N -1 3 316.228 3.851 20 0 DHADHM C[C@H]1CC[C@H](C)N1Cc1c(Br)cccc1C(=O)[O-] ZINC000652440695 975534779 /nfs/dbraw/zinc/53/47/79/975534779.db2.gz TWKYNHKSCNHREV-UWVGGRQHSA-N -1 3 312.207 3.520 20 0 DHADHM C[C@@H]1CC[C@H](C)N1Cc1c(Br)cccc1C(=O)[O-] ZINC000652440693 975535118 /nfs/dbraw/zinc/53/51/18/975535118.db2.gz TWKYNHKSCNHREV-AOOOYVTPSA-N -1 3 312.207 3.520 20 0 DHADHM C[C@@H]1CCC[C@@H](CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000652470369 975543478 /nfs/dbraw/zinc/54/34/78/975543478.db2.gz VJSJDOCXRDKRKV-RVKKMQEKSA-N -1 3 301.430 3.887 20 0 DHADHM CC(C)c1[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001591912389 976343932 /nfs/dbraw/zinc/34/39/32/976343932.db2.gz LWEBGGFQMHGZFI-KBPBESRZSA-N -1 3 304.434 3.848 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2F)c([O-])c1 ZINC000036752710 1014348405 /nfs/dbraw/zinc/34/84/05/1014348405.db2.gz CUVYSNHXMBRBDM-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCCC2)c1Cl ZINC000614606984 1014362121 /nfs/dbraw/zinc/36/21/21/1014362121.db2.gz RJWQKPYSGUPZAL-UHFFFAOYSA-N -1 3 322.257 3.770 20 0 DHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC001592445311 978111679 /nfs/dbraw/zinc/11/16/79/978111679.db2.gz JOGQMDIVDHEIGJ-CYBMUJFWSA-N -1 3 316.401 3.711 20 0 DHADHM [O-]c1cc(F)c(Nc2cc(Br)ncc2F)cc1F ZINC001215571512 1014483038 /nfs/dbraw/zinc/48/30/38/1014483038.db2.gz CCVFZQKGDQILPB-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000931318225 1032097340 /nfs/dbraw/zinc/09/73/40/1032097340.db2.gz LFXIFWVELFADHY-VIFPVBQESA-N -1 3 323.318 3.586 20 0 DHADHM Cc1oc(CN2CCC(c3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC000871619539 979959059 /nfs/dbraw/zinc/95/90/59/979959059.db2.gz POOBLRUJZKVHQN-UHFFFAOYSA-N -1 3 317.360 3.805 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000096659585 1014621161 /nfs/dbraw/zinc/62/11/61/1014621161.db2.gz IOYXPEXBBWTRBR-UHFFFAOYSA-N -1 3 319.426 3.837 20 0 DHADHM CN(CCCOc1cccc(Cl)c1)Cc1occc1C(=O)[O-] ZINC000521055926 1014636165 /nfs/dbraw/zinc/63/61/65/1014636165.db2.gz JFKZVZFPYYCHQM-UHFFFAOYSA-N -1 3 323.776 3.532 20 0 DHADHM CC[C@H](C)C[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000901675027 980438048 /nfs/dbraw/zinc/43/80/48/980438048.db2.gz QOYHKRJDFIEERM-GXFFZTMASA-N -1 3 324.471 3.851 20 0 DHADHM CC[C@@H](C)C[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000901675028 980438057 /nfs/dbraw/zinc/43/80/57/980438057.db2.gz QOYHKRJDFIEERM-MFKMUULPSA-N -1 3 324.471 3.851 20 0 DHADHM CC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595304634 980439763 /nfs/dbraw/zinc/43/97/63/980439763.db2.gz HEDBYGSBAOESAO-HNNXBMFYSA-N -1 3 304.777 3.674 20 0 DHADHM C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908115 980621646 /nfs/dbraw/zinc/62/16/46/980621646.db2.gz OJHICPDWDQOPMF-SRVKXCTJSA-N -1 3 304.415 3.684 20 0 DHADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@H](C)c1ccccc1 ZINC000901908116 980621762 /nfs/dbraw/zinc/62/17/62/980621762.db2.gz OJHICPDWDQOPMF-TUAOUCFPSA-N -1 3 304.415 3.684 20 0 DHADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000901911469 980623582 /nfs/dbraw/zinc/62/35/82/980623582.db2.gz LMOKGDYOKVVILF-ZJUUUORDSA-N -1 3 324.833 3.949 20 0 DHADHM CC(C)c1ccc(CCN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901911347 980623763 /nfs/dbraw/zinc/62/37/63/980623763.db2.gz JYPLPKWHLBITQU-LBPRGKRZSA-N -1 3 318.442 3.858 20 0 DHADHM CC(C)Oc1ccc(CNCc2cc(C(=O)[O-])cs2)cc1 ZINC000902097489 980731975 /nfs/dbraw/zinc/73/19/75/980731975.db2.gz MQEYNXRGHNMUAY-UHFFFAOYSA-N -1 3 305.399 3.523 20 0 DHADHM CC[C@@H](c1ccccc1)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001595363300 980781024 /nfs/dbraw/zinc/78/10/24/980781024.db2.gz DMSGMYRRKFNRCV-KRWDZBQOSA-N -1 3 311.381 3.731 20 0 DHADHM CC[C@@H](c1ccccc1OC)N(C)Cc1ccccc1C(=O)[O-] ZINC001595364505 980794424 /nfs/dbraw/zinc/79/44/24/980794424.db2.gz WXUQOHMTKLMIAM-KRWDZBQOSA-N -1 3 313.397 3.977 20 0 DHADHM Cc1ccc(F)c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1F ZINC000903603779 980985457 /nfs/dbraw/zinc/98/54/57/980985457.db2.gz ODWMSAGZLYNNND-GFCCVEGCSA-N -1 3 311.372 3.596 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccncc1Oc1ccccc1 ZINC000442564246 1014702615 /nfs/dbraw/zinc/70/26/15/1014702615.db2.gz DITVUSHCHAPGAS-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM C[C@@H]1CCC[C@@H](CCN2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC000903958861 981076102 /nfs/dbraw/zinc/07/61/02/981076102.db2.gz PPXJCAUKWGJGRR-CABCVRRESA-N -1 3 317.429 3.796 20 0 DHADHM CC[C@H]1CCC[C@@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595441191 981079059 /nfs/dbraw/zinc/07/90/59/981079059.db2.gz ODTJTCGERROKRT-LRDDRELGSA-N -1 3 314.385 3.708 20 0 DHADHM CC[C@@](C)(NCc1csc(Nc2ccccc2C)n1)C(=O)[O-] ZINC001594853410 982112256 /nfs/dbraw/zinc/11/22/56/982112256.db2.gz VDTNBABJRVVJAH-MRXNPFEDSA-N -1 3 319.430 3.538 20 0 DHADHM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000521843320 1014815174 /nfs/dbraw/zinc/81/51/74/1014815174.db2.gz GEYDLWDFOUIVMG-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM CCCN(Cc1ccccc1F)Cc1ccccc1CC(=O)[O-] ZINC001595890980 982923417 /nfs/dbraw/zinc/92/34/17/982923417.db2.gz IKGVRPYBYBFANM-UHFFFAOYSA-N -1 3 315.388 3.865 20 0 DHADHM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000656613710 1014946247 /nfs/dbraw/zinc/94/62/47/1014946247.db2.gz PHZOYRDLFHPFGX-GFCCVEGCSA-N -1 3 323.389 3.804 20 0 DHADHM Cc1cccc(C(C)C)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000092225973 1015037170 /nfs/dbraw/zinc/03/71/70/1015037170.db2.gz NXZVKHIRESYORY-UHFFFAOYSA-N -1 3 313.353 3.805 20 0 DHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000029046176 1015099895 /nfs/dbraw/zinc/09/98/95/1015099895.db2.gz OWFNRNMIDBZKIV-UHFFFAOYSA-N -1 3 319.426 3.831 20 0 DHADHM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2ccccc2[C@@H](C)C1 ZINC001594499536 985667805 /nfs/dbraw/zinc/66/78/05/985667805.db2.gz NVAHEVNQBSTSPK-NWDGAFQWSA-N -1 3 316.426 3.564 20 0 DHADHM Cc1cc2nc(NCc3ccc([O-])c(F)c3)c3ccccc3n2n1 ZINC000078020194 1015222814 /nfs/dbraw/zinc/22/28/14/1015222814.db2.gz MXFCHUGTUPUTBT-UHFFFAOYSA-N -1 3 322.343 3.648 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)s2)c([O-])c1 ZINC000114671536 1015261209 /nfs/dbraw/zinc/26/12/09/1015261209.db2.gz CMUYYPQJKDDOAJ-AWEZNQCLSA-N -1 3 317.410 3.748 20 0 DHADHM CCSc1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597272295 987318794 /nfs/dbraw/zinc/31/87/94/987318794.db2.gz CMXFRIKFLCNYAT-UHFFFAOYSA-N -1 3 319.401 3.926 20 0 DHADHM CCSc1ccc([C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597272334 987319875 /nfs/dbraw/zinc/31/98/75/987319875.db2.gz DYZJAYHCBFQFTP-LLVKDONJSA-N -1 3 304.415 3.676 20 0 DHADHM CCc1[nH]c(CN(C)Cc2c(C)cccc2C)cc1C(=O)[O-] ZINC001597380436 987574417 /nfs/dbraw/zinc/57/44/17/987574417.db2.gz KTCLZAAKLZOGLM-UHFFFAOYSA-N -1 3 300.402 3.524 20 0 DHADHM CCc1[nH]c(CN(C)[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC001597380842 987579958 /nfs/dbraw/zinc/57/99/58/987579958.db2.gz ZONCAEIRNOVJJT-GOSISDBHSA-N -1 3 312.413 3.785 20 0 DHADHM CSC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599794490 988072786 /nfs/dbraw/zinc/07/27/86/988072786.db2.gz OAYTVTMSEKNQHA-LLVKDONJSA-N -1 3 313.850 3.613 20 0 DHADHM CSc1ccccc1CN(C)Cc1ccccc1CC(=O)[O-] ZINC001599823857 988562910 /nfs/dbraw/zinc/56/29/10/988562910.db2.gz ICWVVBBYRUZGGI-UHFFFAOYSA-N -1 3 315.438 3.668 20 0 DHADHM CSc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001599826222 988602774 /nfs/dbraw/zinc/60/27/74/988602774.db2.gz IIDZTCDBJNFQFS-BLLLJJGKSA-N -1 3 301.411 3.885 20 0 DHADHM CC(C)[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001591024788 991319806 /nfs/dbraw/zinc/31/98/06/991319806.db2.gz WBFJICVAIKWAOT-SJORKVTESA-N -1 3 301.361 3.938 20 0 DHADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1nccc2ccccc21 ZINC001598514053 992599831 /nfs/dbraw/zinc/59/98/31/992599831.db2.gz VVZLJFFPGRCMBA-UHFFFAOYSA-N -1 3 306.365 3.565 20 0 DHADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC001598518352 992646307 /nfs/dbraw/zinc/64/63/07/992646307.db2.gz WYMBQBCHDAYDDT-JYBLJSLWSA-N -1 3 311.381 3.887 20 0 DHADHM COc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000341782702 1015730621 /nfs/dbraw/zinc/73/06/21/1015730621.db2.gz JKTYRPRTYNLNJZ-VIFPVBQESA-N -1 3 323.751 3.684 20 0 DHADHM Cc1[nH]c(CN2CCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC001140493725 1015745495 /nfs/dbraw/zinc/74/54/95/1015745495.db2.gz IPGCZMWGVTWTQG-UHFFFAOYSA-N -1 3 304.434 3.876 20 0 DHADHM Cc1cc(O[C@@H](C)C(=O)Nc2ncccc2[O-])ccc1C(C)C ZINC000341891490 1015824982 /nfs/dbraw/zinc/82/49/82/1015824982.db2.gz YKORXRFFJACOAN-ZDUSSCGKSA-N -1 3 314.385 3.625 20 0 DHADHM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cc(O)cc(F)c1 ZINC001593203843 994191932 /nfs/dbraw/zinc/19/19/32/994191932.db2.gz IJQKEHJDMGQMPG-PXAZEXFGSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@@H]([NH2+][C@@H](CCC(=O)[O-])c1ccccc1)c1cc([O-])cc(F)c1 ZINC001593203843 994191942 /nfs/dbraw/zinc/19/19/42/994191942.db2.gz IJQKEHJDMGQMPG-PXAZEXFGSA-N -1 3 317.360 3.788 20 0 DHADHM C[C@H](N[C@H]1CCCc2sccc21)c1cncc(C(=O)[O-])c1 ZINC001593218356 994285170 /nfs/dbraw/zinc/28/51/70/994285170.db2.gz HSLGZWKOBOAKDS-HZMBPMFUSA-N -1 3 302.399 3.570 20 0 DHADHM CC(C)Oc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000277066346 1015862238 /nfs/dbraw/zinc/86/22/38/1015862238.db2.gz UUHSBPHNWFKUQZ-INIZCTEOSA-N -1 3 319.426 3.841 20 0 DHADHM C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1cc(C(=O)[O-])co1 ZINC001593252232 994505867 /nfs/dbraw/zinc/50/58/67/994505867.db2.gz QWYROQARVDENBF-TZMCWYRMSA-N -1 3 307.390 3.510 20 0 DHADHM C[C@H](NC/C=C/c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593257782 994535199 /nfs/dbraw/zinc/53/51/99/994535199.db2.gz TVIVKVUFDHIAMT-VSGCLNPGSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@H](NCCC1CCC(F)(F)CC1)c1ncc(C(=O)[O-])s1 ZINC001593265181 994570959 /nfs/dbraw/zinc/57/09/59/994570959.db2.gz QQQABDVFKDLTOQ-VIFPVBQESA-N -1 3 318.389 3.708 20 0 DHADHM COc1cccc([C@@H](N[C@@H](C)c2ccc(F)cc2C)C(=O)[O-])c1 ZINC001599659887 994639052 /nfs/dbraw/zinc/63/90/52/994639052.db2.gz OUUMPEQOQUFOAP-YVEFUNNKSA-N -1 3 317.360 3.619 20 0 DHADHM C[C@H](NCc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593310832 994774897 /nfs/dbraw/zinc/77/48/97/994774897.db2.gz LPQLDABRXLLQNV-ZDUSSCGKSA-N -1 3 306.365 3.784 20 0 DHADHM C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(C(=O)[O-])o1 ZINC001593360659 995026471 /nfs/dbraw/zinc/02/64/71/995026471.db2.gz XAWSGYUDCBWKJX-DDTOSNHZSA-N -1 3 309.406 3.611 20 0 DHADHM C[C@H](Oc1ccccc1CN1CCC2(CCCC2)CC1)C(=O)[O-] ZINC001593646655 995987823 /nfs/dbraw/zinc/98/78/23/995987823.db2.gz ZBGWKKDCDPVAEI-HNNXBMFYSA-N -1 3 317.429 3.695 20 0 DHADHM Cc1ccc(-c2nc(CNCCC[C@H](C)C(=O)[O-])cs2)cc1 ZINC000277229848 1016082424 /nfs/dbraw/zinc/08/24/24/1016082424.db2.gz IKRGORFLBDSFKP-ZDUSSCGKSA-N -1 3 318.442 3.709 20 0 DHADHM CC1(C)SC[C@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001593987652 997233025 /nfs/dbraw/zinc/23/30/25/997233025.db2.gz FZXVJFYYOGJYHR-OAHLLOKOSA-N -1 3 317.410 3.628 20 0 DHADHM COCCCC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001599223114 997706119 /nfs/dbraw/zinc/70/61/19/997706119.db2.gz FZVNDUIEWDLCNT-MRXNPFEDSA-N -1 3 317.385 3.625 20 0 DHADHM COCCCC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001599223110 997706791 /nfs/dbraw/zinc/70/67/91/997706791.db2.gz FZVNDUIEWDLCNT-INIZCTEOSA-N -1 3 317.385 3.625 20 0 DHADHM C[C@]1(NCc2c(Cl)cncc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594060626 997837096 /nfs/dbraw/zinc/83/70/96/997837096.db2.gz SAQDZACYRZJQKR-YGRLFVJLSA-N -1 3 317.216 3.512 20 0 DHADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)cc1Cl ZINC000476386596 1032141845 /nfs/dbraw/zinc/14/18/45/1032141845.db2.gz DCRULXDGENKYHL-UHFFFAOYSA-N -1 3 307.752 3.732 20 0 DHADHM CC1=C(c2ccco2)CN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001594110386 998209784 /nfs/dbraw/zinc/20/97/84/998209784.db2.gz VMHFAECFUSOMRY-UHFFFAOYSA-N -1 3 303.383 3.719 20 0 DHADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(C)(C)C ZINC000014221598 1016225204 /nfs/dbraw/zinc/22/52/04/1016225204.db2.gz QWAWSCJNZUAJOI-QMMMGPOBSA-N -1 3 310.246 3.706 20 0 DHADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)c1cccnc1 ZINC000277365079 1016245179 /nfs/dbraw/zinc/24/51/79/1016245179.db2.gz GCHBMNZCXKNCAI-NSHDSACASA-N -1 3 304.777 3.664 20 0 DHADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594213742 998824142 /nfs/dbraw/zinc/82/41/42/998824142.db2.gz FYCMBDYCDSMQSA-WPRPVWTQSA-N -1 3 307.337 3.609 20 0 DHADHM C[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC001594426709 999595513 /nfs/dbraw/zinc/59/55/13/999595513.db2.gz NDHUAFAHLXATGZ-HYVNUMGLSA-N -1 3 317.429 3.551 20 0 DHADHM Cc1cccc2c1N(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000622413265 1016396399 /nfs/dbraw/zinc/39/63/99/1016396399.db2.gz KRIUDIYAQJBLEY-UHFFFAOYSA-N -1 3 307.393 3.782 20 0 DHADHM COc1ccc(F)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622477151 1016421103 /nfs/dbraw/zinc/42/11/03/1016421103.db2.gz OZNFVGUKETVAOK-UHFFFAOYSA-N -1 3 315.344 3.671 20 0 DHADHM CC1(C)CC(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622542822 1016457165 /nfs/dbraw/zinc/45/71/65/1016457165.db2.gz PLMJJGYFLPXBDR-UHFFFAOYSA-N -1 3 301.308 3.577 20 0 DHADHM CC(C)[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC000622563121 1016459819 /nfs/dbraw/zinc/45/98/19/1016459819.db2.gz YBTKMGLZTFEDEM-OAHLLOKOSA-N -1 3 313.372 3.860 20 0 DHADHM CCC1(CC)CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622549753 1016460850 /nfs/dbraw/zinc/46/08/50/1016460850.db2.gz LTDDFDMOGCDWBX-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM Cc1ccc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)c([O-])c1 ZINC000622620776 1016488185 /nfs/dbraw/zinc/48/81/85/1016488185.db2.gz BMGVSQPCLAQBNI-UHFFFAOYSA-N -1 3 309.409 3.986 20 0 DHADHM CC[C@H]1COC(C)(C)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000622740411 1016552214 /nfs/dbraw/zinc/55/22/14/1016552214.db2.gz DAMIUSPQLVQRAG-AWEZNQCLSA-N -1 3 305.418 3.545 20 0 DHADHM CCc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)c([O-])c1 ZINC000622736017 1016543064 /nfs/dbraw/zinc/54/30/64/1016543064.db2.gz NLLYEOUQQAIATB-UHFFFAOYSA-N -1 3 321.829 3.868 20 0 DHADHM O=c1ccnc(C=Cc2ccc(Cl)c(Br)c2)[n-]1 ZINC000776189955 1037684229 /nfs/dbraw/zinc/68/42/29/1037684229.db2.gz MIXIVQBDSAJHMF-RQOWECAXSA-N -1 3 311.566 3.769 20 0 DHADHM C[C@H](NCc1ccoc1)c1cc(Br)cc(F)c1[O-] ZINC000185106715 1016575483 /nfs/dbraw/zinc/57/54/83/1016575483.db2.gz AQBHODPQHIYRQE-QMMMGPOBSA-N -1 3 314.154 3.738 20 0 DHADHM COc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1OC(C)C ZINC000174891503 1016844426 /nfs/dbraw/zinc/84/44/26/1016844426.db2.gz OAEKSDCOSVDERN-UHFFFAOYSA-N -1 3 319.332 3.579 20 0 DHADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000074531810 1017241547 /nfs/dbraw/zinc/24/15/47/1017241547.db2.gz ZXLKVRQNWPDOPD-UHFFFAOYSA-N -1 3 302.302 3.515 20 0 DHADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OC(C)C ZINC000055546539 1032221521 /nfs/dbraw/zinc/22/15/21/1032221521.db2.gz PCKPJKQDIGFJNK-UHFFFAOYSA-N -1 3 305.399 3.583 20 0 DHADHM CCc1ccc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c([O-])c1 ZINC000897107003 1017071321 /nfs/dbraw/zinc/07/13/21/1017071321.db2.gz JFXMWKQBKJVPEF-ZDUSSCGKSA-N -1 3 314.385 3.821 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1[O-] ZINC001147034726 1032268747 /nfs/dbraw/zinc/26/87/47/1032268747.db2.gz QONFETNMMNXWTO-SFHVURJKSA-N -1 3 323.392 3.866 20 0 DHADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362237617 1032281378 /nfs/dbraw/zinc/28/13/78/1032281378.db2.gz QCGRFCHAQRTMNN-PIGZYNQJSA-N -1 3 310.357 3.593 20 0 DHADHM C[C@@H]1c2ccccc2OCCN1C(=O)c1cc([O-])ccc1Cl ZINC001148119325 1032366002 /nfs/dbraw/zinc/36/60/02/1032366002.db2.gz DEEFGQSWRWJVLP-LLVKDONJSA-N -1 3 317.772 3.641 20 0 DHADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c([O-])c1 ZINC000121092357 1032418703 /nfs/dbraw/zinc/41/87/03/1032418703.db2.gz VHWWOYFMKMDTJY-LJQANCHMSA-N -1 3 318.376 3.615 20 0 DHADHM CC(=O)c1cc(C(=O)Nc2ccccc2-c2cnco2)ccc1[O-] ZINC001148665184 1032431694 /nfs/dbraw/zinc/43/16/94/1032431694.db2.gz ZNIQZQXSZZPPBF-UHFFFAOYSA-N -1 3 322.320 3.502 20 0 DHADHM Cc1cn2ccc(NC(=O)c3cc4sccc4c([O-])c3)cc2n1 ZINC001148714589 1032433823 /nfs/dbraw/zinc/43/38/23/1032433823.db2.gz VBTBTNNPCRGABN-UHFFFAOYSA-N -1 3 323.377 3.815 20 0 DHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000121468359 1032447447 /nfs/dbraw/zinc/44/74/47/1032447447.db2.gz ZATFUZSYHKNSDE-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])c(OC)cc1Cl ZINC000121630601 1032460859 /nfs/dbraw/zinc/46/08/59/1032460859.db2.gz YDCVZUCIFQGTKX-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM COc1ccccc1CN(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000122038134 1032504505 /nfs/dbraw/zinc/50/45/05/1032504505.db2.gz OJFKLJMPBYFYLU-UHFFFAOYSA-N -1 3 311.381 3.514 20 0 DHADHM C[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424421622 1012015408 /nfs/dbraw/zinc/01/54/08/1012015408.db2.gz RWZQJRNFBITMSY-NOZJJQNGSA-N -1 3 319.298 3.530 20 0 DHADHM CCC[C@H](CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000874190301 1032604500 /nfs/dbraw/zinc/60/45/00/1032604500.db2.gz HZSLMGZFSCOKQM-ZDUSSCGKSA-N -1 3 313.401 3.510 20 0 DHADHM COc1cc(F)cc(CNc2[n-]c(=O)c(Cl)cc2Cl)c1 ZINC001171410552 1032610465 /nfs/dbraw/zinc/61/04/65/1032610465.db2.gz JEYOSVNGONADFS-UHFFFAOYSA-N -1 3 317.147 3.854 20 0 DHADHM O=[S@](Cc1csc(-c2cccs2)n1)c1ccc([O-])cc1 ZINC000108084164 1012365352 /nfs/dbraw/zinc/36/53/52/1012365352.db2.gz WYZNQARZSFZEBQ-FQEVSTJZSA-N -1 3 321.448 3.885 20 0 DHADHM CC[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000514791259 1012439501 /nfs/dbraw/zinc/43/95/01/1012439501.db2.gz KQSLLKKYMZZXLG-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM COc1ccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)cc1 ZINC000579842149 1012526463 /nfs/dbraw/zinc/52/64/63/1012526463.db2.gz AEVINIRFTPTVTM-OAHLLOKOSA-N -1 3 317.410 3.792 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Oc2ccccc2)cn1 ZINC000515284703 1012595562 /nfs/dbraw/zinc/59/55/62/1012595562.db2.gz WNDIQFTUJUSVCO-UHFFFAOYSA-N -1 3 324.311 3.971 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](OC3CCC3)C2)c([O-])c1 ZINC000655282900 1012623074 /nfs/dbraw/zinc/62/30/74/1012623074.db2.gz WYNXLDNHPAJMDI-INIZCTEOSA-N -1 3 317.429 3.689 20 0 DHADHM [O-]c1cccnc1CN(CCC(F)(F)F)Cc1ccccc1 ZINC000517262969 1012943109 /nfs/dbraw/zinc/94/31/09/1012943109.db2.gz OXRLNEYPVIIUIG-UHFFFAOYSA-N -1 3 310.319 3.742 20 0 DHADHM Cc1cccnc1[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000277857459 1017483795 /nfs/dbraw/zinc/48/37/95/1017483795.db2.gz ZDHJPEJVAYDCEA-HNNXBMFYSA-N -1 3 318.804 3.876 20 0 DHADHM Cc1nc(-c2cccnc2)nc(NCc2ccc([O-])c(F)c2)c1C ZINC000078295587 1017576703 /nfs/dbraw/zinc/57/67/03/1017576703.db2.gz ISCMOHLELSMVGD-UHFFFAOYSA-N -1 3 324.359 3.612 20 0 DHADHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)[N-]c1cnoc1 ZINC000623938999 1017597910 /nfs/dbraw/zinc/59/79/10/1017597910.db2.gz ZUWPDLLCRNPAQE-UHFFFAOYSA-N -1 3 313.382 3.976 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H](Oc1ccccc1)c1ccccc1 ZINC000181002809 1017715884 /nfs/dbraw/zinc/71/58/84/1017715884.db2.gz VDBKRBYFIRGEJT-KRWDZBQOSA-N -1 3 320.348 3.546 20 0 DHADHM COc1c(F)cc(F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000342918888 1017789694 /nfs/dbraw/zinc/78/96/94/1017789694.db2.gz FOKLLNKBUYNPFT-UHFFFAOYSA-N -1 3 313.687 3.585 20 0 DHADHM COc1ccccc1C(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000445686678 1017946467 /nfs/dbraw/zinc/94/64/67/1017946467.db2.gz IPTZDSJTXHBGGO-UHFFFAOYSA-N -1 3 310.353 3.777 20 0 DHADHM O=C(Nc1ccccc1OC1CCCC1)c1cccc2n[n-]nc21 ZINC000183433757 1018023512 /nfs/dbraw/zinc/02/35/12/1018023512.db2.gz KRNBBZFVGMUDFE-UHFFFAOYSA-N -1 3 322.368 3.532 20 0 DHADHM O=c1cc(Nc2ccc(-c3ncc[nH]3)cc2)[n-]n1-c1ccccc1 ZINC001213087046 1018071527 /nfs/dbraw/zinc/07/15/27/1018071527.db2.gz IADINSHMENZXSD-UHFFFAOYSA-N -1 3 317.352 3.712 20 0 DHADHM [O-]c1c(F)cc(Nc2csc(-c3ccncc3)n2)cc1F ZINC001213377546 1018073307 /nfs/dbraw/zinc/07/33/07/1018073307.db2.gz SVQGLTROSCLUGN-UHFFFAOYSA-N -1 3 305.309 3.933 20 0 DHADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)c(C(C)=O)cc1OC ZINC001213379208 1018167679 /nfs/dbraw/zinc/16/76/79/1018167679.db2.gz FRCWNSGKSLXGTK-UHFFFAOYSA-N -1 3 323.295 3.634 20 0 DHADHM Cc1noc(C(C)C)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000928787025 1018168173 /nfs/dbraw/zinc/16/81/73/1018168173.db2.gz QBQLRFKHWVQFLA-UHFFFAOYSA-N -1 3 322.796 3.926 20 0 DHADHM CC(C)CCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000161582771 1018181269 /nfs/dbraw/zinc/18/12/69/1018181269.db2.gz KRKNSGPEAURUMR-MRXNPFEDSA-N -1 3 322.405 3.691 20 0 DHADHM CC(C)CCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000161582771 1018181276 /nfs/dbraw/zinc/18/12/76/1018181276.db2.gz KRKNSGPEAURUMR-MRXNPFEDSA-N -1 3 322.405 3.691 20 0 DHADHM C[C@H](c1cccnc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000339393211 1018194410 /nfs/dbraw/zinc/19/44/10/1018194410.db2.gz VSZCEBWBTZAUQU-CYBMUJFWSA-N -1 3 306.365 3.774 20 0 DHADHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000525388972 1018271509 /nfs/dbraw/zinc/27/15/09/1018271509.db2.gz VPQGQTQGLWERFN-ZJUUUORDSA-N -1 3 307.868 3.649 20 0 DHADHM Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000447695095 1018457688 /nfs/dbraw/zinc/45/76/88/1018457688.db2.gz KWZLJLFOCLXDPD-FQEVSTJZSA-N -1 3 309.409 3.813 20 0 DHADHM [O-]c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)nc1 ZINC001212557853 1018461995 /nfs/dbraw/zinc/46/19/95/1018461995.db2.gz DNOCUNSXJWCRIJ-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1[O-] ZINC000583501536 1018512217 /nfs/dbraw/zinc/51/22/17/1018512217.db2.gz LCXKLMYKVXBXGK-ZTFRIQLXSA-N -1 3 309.365 3.583 20 0 DHADHM O=C([O-])[C@H]1CCCCCN1Cc1csc(C(F)(F)F)c1 ZINC000705502465 1018664396 /nfs/dbraw/zinc/66/43/96/1018664396.db2.gz UKUOAWSWOWVRKF-SNVBAGLBSA-N -1 3 307.337 3.596 20 0 DHADHM CC(C)(C)Oc1ccncc1NC(=O)c1cc([O-])ccc1Cl ZINC000278487868 1018739592 /nfs/dbraw/zinc/73/95/92/1018739592.db2.gz YNYLZJWIXNGVMS-UHFFFAOYSA-N -1 3 320.776 3.870 20 0 DHADHM CSC1(CNC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000235182630 1018742020 /nfs/dbraw/zinc/74/20/20/1018742020.db2.gz ZTQHCEVUNKZQLO-UHFFFAOYSA-N -1 3 313.850 3.841 20 0 DHADHM CCCOc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000314799274 1018883852 /nfs/dbraw/zinc/88/38/52/1018883852.db2.gz WIXALAIMIPQMSC-OAHLLOKOSA-N -1 3 319.426 3.843 20 0 DHADHM CCCOc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000315645388 1018946057 /nfs/dbraw/zinc/94/60/57/1018946057.db2.gz ZNLDEXQBIBWMAZ-OAHLLOKOSA-N -1 3 319.426 3.843 20 0 DHADHM CC(C)c1nsc([N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000656228495 1018974874 /nfs/dbraw/zinc/97/48/74/1018974874.db2.gz QWWLQYVWMTVTRR-DTWKUNHWSA-N -1 3 309.357 3.573 20 0 DHADHM CC(C)c1nnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000471797414 1019046608 /nfs/dbraw/zinc/04/66/08/1019046608.db2.gz IXKBZUVWERJHQO-UHFFFAOYSA-N -1 3 313.382 3.773 20 0 DHADHM Cn1cnc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc21 ZINC000354974039 1019067044 /nfs/dbraw/zinc/06/70/44/1019067044.db2.gz UDITWYWDRVTWEU-UHFFFAOYSA-N -1 3 317.348 3.684 20 0 DHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2nc(C)c(C(C)(C)C)s2)C1 ZINC000923471107 1019220087 /nfs/dbraw/zinc/22/00/87/1019220087.db2.gz JKUDSNWVQFCXFK-KRWDZBQOSA-N -1 3 324.490 3.826 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC)c2)cc1C ZINC000032586486 1019243952 /nfs/dbraw/zinc/24/39/52/1019243952.db2.gz DHUNHOCECBHKED-UHFFFAOYSA-N -1 3 319.426 3.757 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOc2cc(F)ccc21 ZINC000472158800 1019333708 /nfs/dbraw/zinc/33/37/08/1019333708.db2.gz QCKAYIHCCOFWJR-UHFFFAOYSA-N -1 3 323.323 3.724 20 0 DHADHM O=C([O-])[C@H]1CN(CC/C=C/c2ccccc2)Cc2ccccc21 ZINC000323708547 1019346498 /nfs/dbraw/zinc/34/64/98/1019346498.db2.gz MEBMZMRTTQKSSA-IUYMFKLXSA-N -1 3 307.393 3.774 20 0 DHADHM C[C@H](CCCC(C)(C)O)Nc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001168699982 1019346534 /nfs/dbraw/zinc/34/65/34/1019346534.db2.gz WSVDWGQFTYOXKF-MRVPVSSYSA-N -1 3 323.384 3.526 20 0 DHADHM COc1ccc(-n2nccc2Nc2cc(F)cc(F)c2[O-])cc1 ZINC001212481678 1019426817 /nfs/dbraw/zinc/42/68/17/1019426817.db2.gz CZKQWAVVGNHIGV-UHFFFAOYSA-N -1 3 317.295 3.608 20 0 DHADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1cccc(F)c1 ZINC001212481829 1019428123 /nfs/dbraw/zinc/42/81/23/1019428123.db2.gz LJNPVQSZUJRJMT-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM COCCOc1cccc(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212491026 1019495641 /nfs/dbraw/zinc/49/56/41/1019495641.db2.gz FDDHKSJNSFNWKB-UHFFFAOYSA-N -1 3 313.275 3.578 20 0 DHADHM CCSCc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092122926 1019505244 /nfs/dbraw/zinc/50/52/44/1019505244.db2.gz QLFAGGLFRAICDQ-UHFFFAOYSA-N -1 3 303.383 3.603 20 0 DHADHM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000765764726 1019543130 /nfs/dbraw/zinc/54/31/30/1019543130.db2.gz HJBIYUAIKYZNTQ-VIFPVBQESA-N -1 3 314.332 3.560 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ncsc1-c1ccccc1 ZINC000682164219 1019618929 /nfs/dbraw/zinc/61/89/29/1019618929.db2.gz ZDYYDHBIQUZKEX-UHFFFAOYSA-N -1 3 314.341 3.907 20 0 DHADHM COc1ccc(SCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067139032 1019699309 /nfs/dbraw/zinc/69/93/09/1019699309.db2.gz KKBTTXHXBOJCLO-UHFFFAOYSA-N -1 3 323.801 3.785 20 0 DHADHM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067139162 1019700694 /nfs/dbraw/zinc/70/06/94/1019700694.db2.gz YNXAKDJZGKGGAW-UHFFFAOYSA-N -1 3 321.808 3.866 20 0 DHADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ncccc2[O-])C1 ZINC000347581192 1019726634 /nfs/dbraw/zinc/72/66/34/1019726634.db2.gz DTIGHTJSVRNYCN-CABCVRRESA-N -1 3 320.433 3.881 20 0 DHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000525926136 1019727339 /nfs/dbraw/zinc/72/73/39/1019727339.db2.gz BCRUJPYQPHVNBP-CYBMUJFWSA-N -1 3 305.324 3.853 20 0 DHADHM Cc1ccc(OCCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525924451 1019728326 /nfs/dbraw/zinc/72/83/26/1019728326.db2.gz IIAJEXMMRROJDK-UHFFFAOYSA-N -1 3 321.376 3.663 20 0 DHADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525919484 1019728896 /nfs/dbraw/zinc/72/88/96/1019728896.db2.gz YOXIUORPTQYJHM-LBPRGKRZSA-N -1 3 311.406 3.968 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000526935442 1019738832 /nfs/dbraw/zinc/73/88/32/1019738832.db2.gz YMAFUOITQBAQSP-QZTJIDSGSA-N -1 3 321.351 3.970 20 0 DHADHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000526927621 1019739168 /nfs/dbraw/zinc/73/91/68/1019739168.db2.gz GJUQSFADOBASHX-QFBILLFUSA-N -1 3 317.388 3.906 20 0 DHADHM O=C(NCc1ccc(F)cc1F)c1cc([O-])c2ccccc2c1 ZINC000527166284 1019745025 /nfs/dbraw/zinc/74/50/25/1019745025.db2.gz CMGBDDLZGXFFKO-UHFFFAOYSA-N -1 3 313.303 3.754 20 0 DHADHM C[C@H](Cc1cccs1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527450327 1019753148 /nfs/dbraw/zinc/75/31/48/1019753148.db2.gz YTKDLSKCMBBLED-GFCCVEGCSA-N -1 3 311.406 3.968 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000285858041 1019876211 /nfs/dbraw/zinc/87/62/11/1019876211.db2.gz AQCFZIMMRNYRNB-KRWDZBQOSA-N -1 3 321.380 3.636 20 0 DHADHM CCO[N-]C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000729968132 1019932482 /nfs/dbraw/zinc/93/24/82/1019932482.db2.gz KGUKYZASIHSCAO-UHFFFAOYSA-N -1 3 319.788 3.529 20 0 DHADHM Cc1cccc(CCCNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000359138148 1019970411 /nfs/dbraw/zinc/97/04/11/1019970411.db2.gz XFKHQDRKBUVPFB-UHFFFAOYSA-N -1 3 320.392 3.611 20 0 DHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(Cl)ccc2F)n1 ZINC000068073335 1020012406 /nfs/dbraw/zinc/01/24/06/1020012406.db2.gz KDXCVONNKDPUNT-UHFFFAOYSA-N -1 3 313.785 3.880 20 0 DHADHM CC(C)(C)c1ccc2c(c1)CCN2c1cc(Cl)nc(=O)[n-]1 ZINC000858379287 1032868299 /nfs/dbraw/zinc/86/82/99/1032868299.db2.gz XLDBQVQVSDMPLA-UHFFFAOYSA-N -1 3 303.793 3.827 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1[O-] ZINC000673526786 1020022186 /nfs/dbraw/zinc/02/21/86/1020022186.db2.gz MGVHXMBQYKGOHI-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM CC(C)c1cc(NC(=O)c2[n-]cnc2C(F)(F)F)ccc1O ZINC000922377166 1020045530 /nfs/dbraw/zinc/04/55/30/1020045530.db2.gz ISEUJAYAOSWNCO-UHFFFAOYSA-N -1 3 313.279 3.510 20 0 DHADHM CC(C)c1cc(NC(=O)c2nc[n-]c2C(F)(F)F)ccc1O ZINC000922377166 1020045545 /nfs/dbraw/zinc/04/55/45/1020045545.db2.gz ISEUJAYAOSWNCO-UHFFFAOYSA-N -1 3 313.279 3.510 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1ccc(C(F)(F)F)s1 ZINC000671786023 1020171418 /nfs/dbraw/zinc/17/14/18/1020171418.db2.gz DISXGHIPVSROJM-UHFFFAOYSA-N -1 3 305.252 3.864 20 0 DHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000264230317 1032881710 /nfs/dbraw/zinc/88/17/10/1032881710.db2.gz XVIJPCYTJKQDOB-QWHCGFSZSA-N -1 3 312.413 3.980 20 0 DHADHM CSc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000732804086 1020285838 /nfs/dbraw/zinc/28/58/38/1020285838.db2.gz FFMFPGUKMBFGHS-UHFFFAOYSA-N -1 3 315.438 3.979 20 0 DHADHM CCN1CCc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC000685705673 1020286623 /nfs/dbraw/zinc/28/66/23/1020286623.db2.gz DUSXBSNGWINBKV-UHFFFAOYSA-N -1 3 316.788 3.680 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)c1ccn(C2CCCCC2)n1 ZINC000655110437 1020311560 /nfs/dbraw/zinc/31/15/60/1020311560.db2.gz WCHZYOBXKSWQML-UHFFFAOYSA-N -1 3 319.792 4.000 20 0 DHADHM Nc1ncccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001212410623 1020369293 /nfs/dbraw/zinc/36/92/93/1020369293.db2.gz NIQQCVOGKOUHID-UHFFFAOYSA-N -1 3 314.570 3.529 20 0 DHADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000353873677 1020571707 /nfs/dbraw/zinc/57/17/07/1020571707.db2.gz WMOCELLRCNOYJY-CYBMUJFWSA-N -1 3 306.365 3.774 20 0 DHADHM CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163654354 1020612747 /nfs/dbraw/zinc/61/27/47/1020612747.db2.gz SYGMWEVJSHUGKP-UHFFFAOYSA-N -1 3 322.767 3.526 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N(CC1CC1)C1CCCCC1 ZINC000163773562 1020618221 /nfs/dbraw/zinc/61/82/21/1020618221.db2.gz QWFHMDCZOKQDSW-UHFFFAOYSA-N -1 3 320.408 3.786 20 0 DHADHM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000735083650 1020690342 /nfs/dbraw/zinc/69/03/42/1020690342.db2.gz WMBKLANGDHYHKB-UWVGGRQHSA-N -1 3 319.829 3.582 20 0 DHADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1c(C)noc1C ZINC000613017137 1020778166 /nfs/dbraw/zinc/77/81/66/1020778166.db2.gz IRQGZUMIKNHZFO-CYBMUJFWSA-N -1 3 320.414 3.600 20 0 DHADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1nccs1 ZINC000737663596 1020850700 /nfs/dbraw/zinc/85/07/00/1020850700.db2.gz ASKFREBOQFANFQ-NSHDSACASA-N -1 3 314.332 3.642 20 0 DHADHM O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000716319063 1020969435 /nfs/dbraw/zinc/96/94/35/1020969435.db2.gz LTYJORVBXURKHR-UHFFFAOYSA-N -1 3 310.180 3.672 20 0 DHADHM CCOC(=O)c1cnc(C)c(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214556006 1020974206 /nfs/dbraw/zinc/97/42/06/1020974206.db2.gz FZPPAJBRCHIIDI-UHFFFAOYSA-N -1 3 324.739 3.808 20 0 DHADHM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccccc2[O-])CC1 ZINC000174648535 1020991813 /nfs/dbraw/zinc/99/18/13/1020991813.db2.gz HHPZZYGUJAZRCL-UYSNPLJNSA-N -1 3 317.429 3.592 20 0 DHADHM CCCOc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000742489883 1021127562 /nfs/dbraw/zinc/12/75/62/1021127562.db2.gz RIVFCFYXBYGJTK-UHFFFAOYSA-N -1 3 313.397 3.656 20 0 DHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cscc2Cl)no1 ZINC000636438275 1021155954 /nfs/dbraw/zinc/15/59/54/1021155954.db2.gz SXIWYMFMSZFNHX-UHFFFAOYSA-N -1 3 314.794 3.957 20 0 DHADHM CCn1cc(Cl)c(C(=O)[N-]c2cccc(F)c2SC)n1 ZINC001437588563 1021230887 /nfs/dbraw/zinc/23/08/87/1021230887.db2.gz JKLMBJCHFVOBSB-UHFFFAOYSA-N -1 3 313.785 3.670 20 0 DHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C3CCCC3)c2)n1 ZINC000917679392 1021346886 /nfs/dbraw/zinc/34/68/86/1021346886.db2.gz MDSCIAMTIIRAQF-UHFFFAOYSA-N -1 3 323.396 3.851 20 0 DHADHM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128799773 1021351232 /nfs/dbraw/zinc/35/12/32/1021351232.db2.gz YDWVFMIZPPBNFN-SNVBAGLBSA-N -1 3 323.751 3.899 20 0 DHADHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128799537 1021352172 /nfs/dbraw/zinc/35/21/72/1021352172.db2.gz YDWVFMIZPPBNFN-JTQLQIEISA-N -1 3 323.751 3.899 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)c1F ZINC000181113742 1021357663 /nfs/dbraw/zinc/35/76/63/1021357663.db2.gz TURIUFPGZQXEOW-UHFFFAOYSA-N -1 3 323.389 3.560 20 0 DHADHM CC(C)(NCc1ncc(Br)cc1[O-])c1ccccc1 ZINC000892679981 1021382730 /nfs/dbraw/zinc/38/27/30/1021382730.db2.gz WOJVLAFSJMOTHL-UHFFFAOYSA-N -1 3 321.218 3.575 20 0 DHADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000129284408 1021461068 /nfs/dbraw/zinc/46/10/68/1021461068.db2.gz RVBVKJGTAASEGT-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc([O-])c1F ZINC000129337651 1021465016 /nfs/dbraw/zinc/46/50/16/1021465016.db2.gz MXHIKKGNTFYLFL-UHFFFAOYSA-N -1 3 308.378 3.747 20 0 DHADHM CCC/C(C)=C\C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000744216434 1021472880 /nfs/dbraw/zinc/47/28/80/1021472880.db2.gz GZZKLOZTBFJENX-XFXZXTDPSA-N -1 3 312.369 3.809 20 0 DHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129511003 1021500040 /nfs/dbraw/zinc/50/00/40/1021500040.db2.gz LJPNNLHPXBLWKX-RKDXNWHRSA-N -1 3 305.271 3.839 20 0 DHADHM COc1cc(-c2nc3ccc(Cl)nc3[nH]2)cc(Cl)c1[O-] ZINC000154848685 1021673297 /nfs/dbraw/zinc/67/32/97/1021673297.db2.gz NFVUUNBSQZYOGR-UHFFFAOYSA-N -1 3 310.140 3.646 20 0 DHADHM CCOC(=O)c1ncc(NC(=O)CC(C)(C)C2CCCCC2)[n-]1 ZINC000619449881 1021766740 /nfs/dbraw/zinc/76/67/40/1021766740.db2.gz YXGJSFHRKVLAQP-UHFFFAOYSA-N -1 3 321.421 3.522 20 0 DHADHM CCOC(=O)c1nc(NC(=O)CC(C)(C)C2CCCCC2)c[n-]1 ZINC000619449881 1021766756 /nfs/dbraw/zinc/76/67/56/1021766756.db2.gz YXGJSFHRKVLAQP-UHFFFAOYSA-N -1 3 321.421 3.522 20 0 DHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000152844199 1021845249 /nfs/dbraw/zinc/84/52/49/1021845249.db2.gz USMWBMOYXJPNRT-SWLSCSKDSA-N -1 3 308.397 3.642 20 0 DHADHM CC(=O)c1cccc(NC(=O)c2cccc(Cl)c2F)c1[O-] ZINC000556893031 1021929011 /nfs/dbraw/zinc/92/90/11/1021929011.db2.gz PCCJXVVYKUBLBO-UHFFFAOYSA-N -1 3 307.708 3.640 20 0 DHADHM CSc1cc(C)ccc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000415883437 1021994817 /nfs/dbraw/zinc/99/48/17/1021994817.db2.gz NMRIDFGSSIEBGL-LBPRGKRZSA-N -1 3 318.398 3.809 20 0 DHADHM CC(C)Oc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000386434924 1022054389 /nfs/dbraw/zinc/05/43/89/1022054389.db2.gz PLVHIWRJLIQFRY-HNNXBMFYSA-N -1 3 319.426 3.841 20 0 DHADHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000620362304 1022133991 /nfs/dbraw/zinc/13/39/91/1022133991.db2.gz SAUNYYTYRYNOLN-VIFPVBQESA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccc(C(C)(C)Nc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001168802887 1022137377 /nfs/dbraw/zinc/13/73/77/1022137377.db2.gz CCNUATCJPDNMSB-UHFFFAOYSA-N -1 3 307.401 3.831 20 0 DHADHM Cc1ccc(C(C)(C)Nc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001168802887 1022137384 /nfs/dbraw/zinc/13/73/84/1022137384.db2.gz CCNUATCJPDNMSB-UHFFFAOYSA-N -1 3 307.401 3.831 20 0 DHADHM CCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC001299225621 1022141365 /nfs/dbraw/zinc/14/13/65/1022141365.db2.gz VRAMOEFNMFAXKW-INIZCTEOSA-N -1 3 303.402 3.684 20 0 DHADHM C[C@H]1CCCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001267743756 1022184352 /nfs/dbraw/zinc/18/43/52/1022184352.db2.gz VRXFSKQKSHGJSO-JOYOIKCWSA-N -1 3 303.299 3.717 20 0 DHADHM COc1c(Cl)ccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001212582983 1022192623 /nfs/dbraw/zinc/19/26/23/1022192623.db2.gz FFFLREAWGNGHBY-UHFFFAOYSA-N -1 3 303.120 3.985 20 0 DHADHM COc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)c([O-])c1 ZINC000620573208 1022193771 /nfs/dbraw/zinc/19/37/71/1022193771.db2.gz GLEFLTQKJPOUCY-AWEZNQCLSA-N -1 3 303.402 3.586 20 0 DHADHM Cc1nonc1[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000920975163 1022200721 /nfs/dbraw/zinc/20/07/21/1022200721.db2.gz RAOADBITEMKFOA-UHFFFAOYSA-N -1 3 311.725 3.638 20 0 DHADHM COc1ccc2cc(NC(=O)c3cc(OC)ccc3[O-])ccc2c1 ZINC000804306600 1022246812 /nfs/dbraw/zinc/24/68/12/1022246812.db2.gz AQSLKCXBMOVDID-UHFFFAOYSA-N -1 3 323.348 3.815 20 0 DHADHM NC(=O)c1oc2ccccc2c1Nc1ccc(Cl)c([O-])c1 ZINC001212589208 1022359612 /nfs/dbraw/zinc/35/96/12/1022359612.db2.gz ABLOEJOSECDCKG-UHFFFAOYSA-N -1 3 302.717 3.634 20 0 DHADHM [O-]c1cc(Nc2ccc(OC3CCOCC3)nc2)ccc1Cl ZINC001212589505 1022362208 /nfs/dbraw/zinc/36/22/08/1022362208.db2.gz OWDIOZWCTHIKBD-UHFFFAOYSA-N -1 3 320.776 3.742 20 0 DHADHM CN(c1ccc(Cl)c([O-])c1)c1ncc(C(F)(F)F)cc1N ZINC001212589383 1022362269 /nfs/dbraw/zinc/36/22/69/1022362269.db2.gz IRZRAVUMJLMOTB-UHFFFAOYSA-N -1 3 317.698 3.810 20 0 DHADHM C[C@H]1C[C@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001169376912 1022374901 /nfs/dbraw/zinc/37/49/01/1022374901.db2.gz VCCSDAVLVYUDDN-QFYYESIMSA-N -1 3 309.348 3.666 20 0 DHADHM C[C@H]1C[C@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001169376912 1022374916 /nfs/dbraw/zinc/37/49/16/1022374916.db2.gz VCCSDAVLVYUDDN-QFYYESIMSA-N -1 3 309.348 3.666 20 0 DHADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1ncccc1[O-] ZINC000337525654 1033050227 /nfs/dbraw/zinc/05/02/27/1033050227.db2.gz BKUNHVVLIFACLA-UHFFFAOYSA-N -1 3 318.785 3.837 20 0 DHADHM [O-]c1cc(Nc2cnc(-c3ccc(O)cc3)nc2)ccc1Cl ZINC001212590209 1022408839 /nfs/dbraw/zinc/40/88/39/1022408839.db2.gz AAFQSIUIELYQQN-UHFFFAOYSA-N -1 3 313.744 3.952 20 0 DHADHM CC(C)c1cc2ncc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212590705 1022432926 /nfs/dbraw/zinc/43/29/26/1022432926.db2.gz ZFTUPGSXBXAHIF-UHFFFAOYSA-N -1 3 302.765 3.955 20 0 DHADHM CCN(CC1CC1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000112200248 1022460494 /nfs/dbraw/zinc/46/04/94/1022460494.db2.gz POSGLFGSXMKKPR-UHFFFAOYSA-N -1 3 308.495 3.753 20 0 DHADHM [O-]c1cc(Nc2cccc(N3CCOCC3)c2)ccc1Cl ZINC001212592193 1022481488 /nfs/dbraw/zinc/48/14/88/1022481488.db2.gz CTVBIUCJMLDYJP-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCC1(C)C ZINC000615475742 1022483697 /nfs/dbraw/zinc/48/36/97/1022483697.db2.gz XBYZETANJIKXEF-SECBINFHSA-N -1 3 312.207 3.838 20 0 DHADHM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(OC)c1 ZINC001212592521 1022490292 /nfs/dbraw/zinc/49/02/92/1022490292.db2.gz UMVIZDABNTXDQM-UHFFFAOYSA-N -1 3 307.733 3.584 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1conc1C1CCCC1 ZINC000867006321 1022495249 /nfs/dbraw/zinc/49/52/49/1022495249.db2.gz HWMZAUYFFKEXMW-UHFFFAOYSA-N -1 3 306.749 3.944 20 0 DHADHM [O-]c1cccnc1CNc1ncc(C(F)(F)F)cc1C1CC1 ZINC001169732001 1022526547 /nfs/dbraw/zinc/52/65/47/1022526547.db2.gz WDFXXCUSUCCGEG-UHFFFAOYSA-N -1 3 309.291 3.691 20 0 DHADHM [O-]c1cccnc1CNc1ccc2cc(C(F)F)cnc2c1 ZINC001169737446 1022527417 /nfs/dbraw/zinc/52/74/17/1022527417.db2.gz PJFMYYPMQSOCJT-UHFFFAOYSA-N -1 3 301.296 3.885 20 0 DHADHM [O-]c1cccnc1CNc1c[nH]c2ccc(Br)cc12 ZINC001169733564 1022527665 /nfs/dbraw/zinc/52/76/65/1022527665.db2.gz ZSQHCJHBAHBANT-UHFFFAOYSA-N -1 3 318.174 3.643 20 0 DHADHM Cc1ccc([O-])c(CN2CCn3cccc3[C@@H]2c2ccccc2)n1 ZINC000158668158 1022656546 /nfs/dbraw/zinc/65/65/46/1022656546.db2.gz VIDFCTHBEXCORE-FQEVSTJZSA-N -1 3 319.408 3.502 20 0 DHADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000159048047 1022683024 /nfs/dbraw/zinc/68/30/24/1022683024.db2.gz ASMAAIDNLYBIBN-OAHLLOKOSA-N -1 3 320.751 3.771 20 0 DHADHM CC(C)C(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000278345966 1022696948 /nfs/dbraw/zinc/69/69/48/1022696948.db2.gz OANIBIQNEJYFAF-UHFFFAOYSA-N -1 3 300.402 3.598 20 0 DHADHM CCCC[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000584768904 1022723505 /nfs/dbraw/zinc/72/35/05/1022723505.db2.gz KQRSPTQCKROELB-SECBINFHSA-N -1 3 300.196 3.920 20 0 DHADHM CC(C)CCc1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000617097897 1022843799 /nfs/dbraw/zinc/84/37/99/1022843799.db2.gz HNCBONYBLPNHCH-UHFFFAOYSA-N -1 3 311.357 3.657 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000621881465 1022919505 /nfs/dbraw/zinc/91/95/05/1022919505.db2.gz MSKDZZNYQSWNGM-UWVGGRQHSA-N -1 3 301.308 3.672 20 0 DHADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621894823 1022921393 /nfs/dbraw/zinc/92/13/93/1022921393.db2.gz AJMIMUZVAFZZFS-CABZTGNLSA-N -1 3 301.308 3.672 20 0 DHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621920395 1022943239 /nfs/dbraw/zinc/94/32/39/1022943239.db2.gz AHYBTDNSYNSVLQ-SNVBAGLBSA-N -1 3 323.261 3.719 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC2(C1)CCCCC2 ZINC000621947489 1022952781 /nfs/dbraw/zinc/95/27/81/1022952781.db2.gz XVCWGQJANFNUDB-UHFFFAOYSA-N -1 3 313.319 3.817 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccnc2Cl)s1 ZINC000295950541 1023000267 /nfs/dbraw/zinc/00/02/67/1023000267.db2.gz LUJDYNKTQCZCRB-UHFFFAOYSA-N -1 3 316.835 3.523 20 0 DHADHM Cc1noc(C2CC2)c1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000166203235 1023010055 /nfs/dbraw/zinc/01/00/55/1023010055.db2.gz XRPGQHHAHGADRH-UHFFFAOYSA-N -1 3 323.352 3.675 20 0 DHADHM CC1(C)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C1CC1 ZINC000622058459 1023010990 /nfs/dbraw/zinc/01/09/90/1023010990.db2.gz GCFGMEBBUIWRCB-CYBMUJFWSA-N -1 3 313.319 3.672 20 0 DHADHM CC(C)(C)C1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622098066 1023032439 /nfs/dbraw/zinc/03/24/39/1023032439.db2.gz UQNHIZNWHARJSS-UHFFFAOYSA-N -1 3 301.308 3.529 20 0 DHADHM CCON(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC000857543390 1023032895 /nfs/dbraw/zinc/03/28/95/1023032895.db2.gz ASMASORDFNJOEN-UHFFFAOYSA-N -1 3 313.397 3.785 20 0 DHADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H](CCF)C1 ZINC000622172631 1023059283 /nfs/dbraw/zinc/05/92/83/1023059283.db2.gz REZZAYVFYMIECA-JTQLQIEISA-N -1 3 319.298 3.623 20 0 DHADHM CCN(Cc1ccc(Br)c([O-])c1)CC(F)(F)F ZINC001236699018 1023064188 /nfs/dbraw/zinc/06/41/88/1023064188.db2.gz QAMMBXXQMYMVBZ-UHFFFAOYSA-N -1 3 312.129 3.539 20 0 DHADHM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622186217 1023064428 /nfs/dbraw/zinc/06/44/28/1023064428.db2.gz ASGSLQDWWKNNQL-NSHDSACASA-N -1 3 301.308 3.529 20 0 DHADHM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622186216 1023065455 /nfs/dbraw/zinc/06/54/55/1023065455.db2.gz ASGSLQDWWKNNQL-LLVKDONJSA-N -1 3 301.308 3.529 20 0 DHADHM O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccccc1[O-] ZINC000047166290 1023196688 /nfs/dbraw/zinc/19/66/88/1023196688.db2.gz FAELQZRVLRMHRO-UHFFFAOYSA-N -1 3 320.348 3.510 20 0 DHADHM O=C([O-])C[C@@H](NCc1cc(Cl)cs1)c1cccs1 ZINC000093094208 1023433169 /nfs/dbraw/zinc/43/31/69/1023433169.db2.gz LXBYRVRVGFJBCW-SNVBAGLBSA-N -1 3 301.820 3.769 20 0 DHADHM COCc1cccc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000746557993 1023610607 /nfs/dbraw/zinc/61/06/07/1023610607.db2.gz DPCWZSYLNGDNMA-UHFFFAOYSA-N -1 3 305.418 3.741 20 0 DHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccccc2F)C(C)C)n1 ZINC000661484061 1023615021 /nfs/dbraw/zinc/61/50/21/1023615021.db2.gz JNQHXMLPRRABLP-BLLLJJGKSA-N -1 3 303.381 3.678 20 0 DHADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1cccc(Cl)c1 ZINC000786034908 1023654285 /nfs/dbraw/zinc/65/42/85/1023654285.db2.gz YBFQYLDIBDEFPY-VIFPVBQESA-N -1 3 317.728 3.843 20 0 DHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1cccc(Cl)c1 ZINC000786034906 1023654368 /nfs/dbraw/zinc/65/43/68/1023654368.db2.gz YBFQYLDIBDEFPY-SECBINFHSA-N -1 3 317.728 3.843 20 0 DHADHM O=C(OCc1ccc(C(F)(F)F)cn1)c1cc2occc2[n-]1 ZINC000786033558 1023654515 /nfs/dbraw/zinc/65/45/15/1023654515.db2.gz LGKGAHRUALBXMG-UHFFFAOYSA-N -1 3 310.231 3.532 20 0 DHADHM O=C(OCC(F)(F)C(F)F)c1cc2sccc2c([O-])c1 ZINC000786135356 1023667319 /nfs/dbraw/zinc/66/73/19/1023667319.db2.gz AVYCBAWMMCIRNI-UHFFFAOYSA-N -1 3 308.252 3.664 20 0 DHADHM C[C@H]1CCCCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000652369092 1023818952 /nfs/dbraw/zinc/81/89/52/1023818952.db2.gz GZCXUNHPWFKVEW-JTQLQIEISA-N -1 3 312.207 3.522 20 0 DHADHM COc1cccc(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787844780 1023825161 /nfs/dbraw/zinc/82/51/61/1023825161.db2.gz MSPCHTPRIAXKBB-UHFFFAOYSA-N -1 3 318.344 3.606 20 0 DHADHM C[C@H](COC(=O)CCCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000787848568 1023826152 /nfs/dbraw/zinc/82/61/52/1023826152.db2.gz QAVMLVINHFOADJ-SECBINFHSA-N -1 3 308.271 3.596 20 0 DHADHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000756787698 1023842811 /nfs/dbraw/zinc/84/28/11/1023842811.db2.gz QXNQZNNUAQKFRC-HJWRWDBZSA-N -1 3 323.801 3.767 20 0 DHADHM O=C(NCc1ccccc1F)c1cc2sccc2c([O-])c1 ZINC000788265999 1023867622 /nfs/dbraw/zinc/86/76/22/1023867622.db2.gz ZGQOROHLQNLCIU-UHFFFAOYSA-N -1 3 301.342 3.676 20 0 DHADHM Cc1cc(CNC(=O)c2cc3sccc3c([O-])c2)ccc1F ZINC000788269107 1023869441 /nfs/dbraw/zinc/86/94/41/1023869441.db2.gz BLMAHZLXEQEKTR-UHFFFAOYSA-N -1 3 315.369 3.984 20 0 DHADHM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252591578 1023928117 /nfs/dbraw/zinc/92/81/17/1023928117.db2.gz DQALROWSFQCJEL-KKZNHRDASA-N -1 3 302.201 3.849 20 0 DHADHM [O-]c1ccccc1-c1nnc(CSCCC(F)(F)F)o1 ZINC000882161570 1023982247 /nfs/dbraw/zinc/98/22/47/1023982247.db2.gz KAYKIWGVIGULET-UHFFFAOYSA-N -1 3 304.293 3.628 20 0 DHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C(C)(C)C ZINC000531253899 1024080297 /nfs/dbraw/zinc/08/02/97/1024080297.db2.gz VWGSDSGUVLJJFP-QMMMGPOBSA-N -1 3 300.196 3.775 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)cc1OC(F)F ZINC000531396343 1024134577 /nfs/dbraw/zinc/13/45/77/1024134577.db2.gz NWSGLWVSQNGQQS-UHFFFAOYSA-N -1 3 315.222 3.524 20 0 DHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCC[C@@H]1C ZINC000452757415 1024187052 /nfs/dbraw/zinc/18/70/52/1024187052.db2.gz PQDJSWUAGGBLBE-WPRPVWTQSA-N -1 3 312.207 3.838 20 0 DHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000269155270 1024248170 /nfs/dbraw/zinc/24/81/70/1024248170.db2.gz MOEKLLRHMKVOKK-DYVFJYSZSA-N -1 3 312.413 3.981 20 0 DHADHM CCC(C)(C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000790598757 1024334907 /nfs/dbraw/zinc/33/49/07/1024334907.db2.gz PAAZHEXPYRVDAM-OAHLLOKOSA-N -1 3 306.406 3.954 20 0 DHADHM CCC(C)(C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000790598757 1024334913 /nfs/dbraw/zinc/33/49/13/1024334913.db2.gz PAAZHEXPYRVDAM-OAHLLOKOSA-N -1 3 306.406 3.954 20 0 DHADHM CCc1ccc(-c2nc([C@H](Cc3ccccc3)OC)no2)c([O-])c1 ZINC000453208140 1024403045 /nfs/dbraw/zinc/40/30/45/1024403045.db2.gz AOFGSKKMFIWGMS-KRWDZBQOSA-N -1 3 324.380 3.935 20 0 DHADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1csc(Cl)n1 ZINC000791039732 1024432601 /nfs/dbraw/zinc/43/26/01/1024432601.db2.gz WYXRLRBMCBTVOE-UHFFFAOYSA-N -1 3 323.736 3.843 20 0 DHADHM O=C(NCCCOC1CCCC1)c1cc2sccc2c([O-])c1 ZINC000791340486 1024474547 /nfs/dbraw/zinc/47/45/47/1024474547.db2.gz MHFYGXIUZVEZPL-UHFFFAOYSA-N -1 3 319.426 3.686 20 0 DHADHM CC[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)OC(C)(C)C ZINC000791316446 1024476260 /nfs/dbraw/zinc/47/62/60/1024476260.db2.gz VTLWUTCGMJQRMN-VIFPVBQESA-N -1 3 322.188 3.599 20 0 DHADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000348793068 1024614968 /nfs/dbraw/zinc/61/49/68/1024614968.db2.gz FCENHWHNMLZYSN-VHSXEESVSA-N -1 3 323.179 3.836 20 0 DHADHM C[C@H](CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC1 ZINC000792480441 1024673729 /nfs/dbraw/zinc/67/37/29/1024673729.db2.gz BLZDKNHDDUEZHZ-SNVBAGLBSA-N -1 3 310.357 3.593 20 0 DHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cccc2ccccc21 ZINC000349190664 1024687304 /nfs/dbraw/zinc/68/73/04/1024687304.db2.gz KZBFQHYRGICKOG-ZDUSSCGKSA-N -1 3 321.380 3.501 20 0 DHADHM CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000348286695 1024710565 /nfs/dbraw/zinc/71/05/65/1024710565.db2.gz BKOICKXAFPWPIT-MRXNPFEDSA-N -1 3 320.392 3.799 20 0 DHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1Cl ZINC000800208812 1024739721 /nfs/dbraw/zinc/73/97/21/1024739721.db2.gz NDYQQYOUENSQCA-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccccc1Cl ZINC000800208812 1024739731 /nfs/dbraw/zinc/73/97/31/1024739731.db2.gz NDYQQYOUENSQCA-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1Cl ZINC000800208812 1024739743 /nfs/dbraw/zinc/73/97/43/1024739743.db2.gz NDYQQYOUENSQCA-VIFPVBQESA-N -1 3 301.733 3.529 20 0 DHADHM O=C(OC[C@@H](F)C(F)(F)F)c1cc2sccc2c([O-])c1 ZINC000800219342 1024743845 /nfs/dbraw/zinc/74/38/45/1024743845.db2.gz JYKCTYVUFVMRET-SNVBAGLBSA-N -1 3 308.252 3.664 20 0 DHADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1cc(F)ccc1F ZINC001202645952 1024762992 /nfs/dbraw/zinc/76/29/92/1024762992.db2.gz RLBNADRPNKFWFH-UHFFFAOYSA-N -1 3 316.267 3.659 20 0 DHADHM Cc1ccc(C)n1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000350894687 1024862913 /nfs/dbraw/zinc/86/29/13/1024862913.db2.gz IWEBNRPBXQMWMS-UHFFFAOYSA-N -1 3 320.383 3.926 20 0 DHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)cc2[O-])s1 ZINC000119900966 1025002810 /nfs/dbraw/zinc/00/28/10/1025002810.db2.gz CZBBAKGPNZVJTL-GFCCVEGCSA-N -1 3 318.442 3.861 20 0 DHADHM [O-]c1ccc(Br)cc1/C=N/CCc1ccccc1F ZINC000005293988 1025031644 /nfs/dbraw/zinc/03/16/44/1025031644.db2.gz KRFMYYJFMBIYHL-VCHYOVAHSA-N -1 3 322.177 3.955 20 0 DHADHM CC[C@H](CC(C)C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884541119 1025159549 /nfs/dbraw/zinc/15/95/49/1025159549.db2.gz WCUIMJWCOVKIDC-GFCCVEGCSA-N -1 3 318.373 3.558 20 0 DHADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1cc(C)no1 ZINC000112182808 1025236544 /nfs/dbraw/zinc/23/65/44/1025236544.db2.gz WPOCMYSXPUXORI-UHFFFAOYSA-N -1 3 322.386 3.597 20 0 DHADHM [O-]c1ccc(F)c(CNCc2cccc(Cl)c2F)c1F ZINC001343961029 1025288728 /nfs/dbraw/zinc/28/87/28/1025288728.db2.gz IEJNWIPWCQMLFE-UHFFFAOYSA-N -1 3 301.695 3.753 20 0 DHADHM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000885233285 1025291156 /nfs/dbraw/zinc/29/11/56/1025291156.db2.gz AOGUFZOSPNTIQE-CQSZACIVSA-N -1 3 311.381 3.506 20 0 DHADHM CCCCCCN(C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676490 1025379630 /nfs/dbraw/zinc/37/96/30/1025379630.db2.gz OUKATRCHVUGELG-UHFFFAOYSA-N -1 3 316.804 3.635 20 0 DHADHM O=C(c1cc([O-])ccc1Cl)N(C[C@H]1CCCO1)C1CCCC1 ZINC000354986936 1025567999 /nfs/dbraw/zinc/56/79/99/1025567999.db2.gz YRAHUDWUGPQGLH-CQSZACIVSA-N -1 3 323.820 3.609 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)cc1[O-] ZINC000666679220 1025607810 /nfs/dbraw/zinc/60/78/10/1025607810.db2.gz KSWOSDVUTHNTHZ-GFCCVEGCSA-N -1 3 309.365 3.749 20 0 DHADHM CCC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccn1 ZINC000355321101 1025678662 /nfs/dbraw/zinc/67/86/62/1025678662.db2.gz PEYOFOPAJGQJOV-GFCCVEGCSA-N -1 3 304.777 3.963 20 0 DHADHM CN(C)Cc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211967266 1025902439 /nfs/dbraw/zinc/90/24/39/1025902439.db2.gz YZZQELZQFGLLLD-UHFFFAOYSA-N -1 3 304.777 3.843 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC000807815630 1026118498 /nfs/dbraw/zinc/11/84/98/1026118498.db2.gz NZIOCJYVDHYDAE-UHFFFAOYSA-N -1 3 301.773 3.764 20 0 DHADHM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000765180289 1026195530 /nfs/dbraw/zinc/19/55/30/1026195530.db2.gz ZZVSCYZTCRTVJT-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM O=C([N-]c1ccnc(F)c1F)c1ccc(Oc2ccccc2)o1 ZINC001131428968 1026368846 /nfs/dbraw/zinc/36/88/46/1026368846.db2.gz NMBANPFZMIVULW-UHFFFAOYSA-N -1 3 316.263 3.997 20 0 DHADHM O=C([N-]c1cccc2nonc21)c1nc(-c2ccccc2)cs1 ZINC000808798614 1026398322 /nfs/dbraw/zinc/39/83/22/1026398322.db2.gz PVDRFRAMNDLSMQ-UHFFFAOYSA-N -1 3 322.349 3.599 20 0 DHADHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C(F)F)CCCC2)cc1 ZINC000809367626 1026522308 /nfs/dbraw/zinc/52/23/08/1026522308.db2.gz AKCZEJAJFXMRFE-UHFFFAOYSA-N -1 3 303.299 3.781 20 0 DHADHM C[C@H](C[C@H]1CCOC1)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810750750 1026845717 /nfs/dbraw/zinc/84/57/17/1026845717.db2.gz PNOBWIIQQVJFHZ-RKDXNWHRSA-N -1 3 313.806 3.855 20 0 DHADHM O=C(OC[C@@H](F)C(F)(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810860461 1026877350 /nfs/dbraw/zinc/87/73/50/1026877350.db2.gz TVTMFVREEHKXMV-ZCFIWIBFSA-N -1 3 315.675 3.940 20 0 DHADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000295352160 1027218913 /nfs/dbraw/zinc/21/89/13/1027218913.db2.gz KKPPIRGOGNQYRH-AXFHLTTASA-N -1 3 301.308 3.584 20 0 DHADHM O=C(Cc1coc2ccc3ccccc3c12)[N-]OC/C=C/Cl ZINC000812403994 1027263287 /nfs/dbraw/zinc/26/32/87/1027263287.db2.gz VQEHBUDWEACADK-FPYGCLRLSA-N -1 3 315.756 3.929 20 0 DHADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)Cc1ccc(Cl)cc1 ZINC000812409501 1027269466 /nfs/dbraw/zinc/26/94/66/1027269466.db2.gz RHFVXYSKJVUOGV-HVUAZKLTSA-N -1 3 302.201 3.709 20 0 DHADHM CC(C)Cc1ccc(C(=O)CCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812398200 1027270726 /nfs/dbraw/zinc/27/07/26/1027270726.db2.gz NRIBQPJERJIPMN-KMKOMSMNSA-N -1 3 323.820 3.648 20 0 DHADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)c1ccc(C(F)(F)F)cc1 ZINC000812407025 1027283072 /nfs/dbraw/zinc/28/30/72/1027283072.db2.gz UVLRWJCRVSJYQD-RQVRIRCRSA-N -1 3 321.726 3.999 20 0 DHADHM CCc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1[O-] ZINC000574109428 1027363296 /nfs/dbraw/zinc/36/32/96/1027363296.db2.gz IITZRXNHXANMNZ-KRWDZBQOSA-N -1 3 310.397 3.573 20 0 DHADHM O=C(Nc1ccc(-c2ccco2)cc1F)c1cccc2n[n-]nc21 ZINC000562355548 1027384597 /nfs/dbraw/zinc/38/45/97/1027384597.db2.gz DJMJGBKVCLXMEH-UHFFFAOYSA-N -1 3 322.299 3.609 20 0 DHADHM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OC1CCC1 ZINC000812788699 1027403117 /nfs/dbraw/zinc/40/31/17/1027403117.db2.gz WHIUHCPUICZIQL-UHFFFAOYSA-N -1 3 302.201 3.916 20 0 DHADHM Cc1ccccc1[C@@H](CC(F)(F)F)NCc1ncccc1[O-] ZINC000574606252 1027408149 /nfs/dbraw/zinc/40/81/49/1027408149.db2.gz IOLBSZDUPXLAQL-CYBMUJFWSA-N -1 3 310.319 3.879 20 0 DHADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1ccccc1C(F)(F)F ZINC000812795713 1027422930 /nfs/dbraw/zinc/42/29/30/1027422930.db2.gz ACXSRUAEPVSVII-JTQLQIEISA-N -1 3 301.308 3.799 20 0 DHADHM CC1(C)[C@@H]2CN([C@H](C(=O)[O-])c3cccc(Cl)c3Cl)C[C@@H]21 ZINC000575412556 1027481821 /nfs/dbraw/zinc/48/18/21/1027481821.db2.gz FAIGIOGXFIFTCZ-CWSCBRNRSA-N -1 3 314.212 3.707 20 0 DHADHM C/C(=C\C(=O)Nc1c(C)c(Br)ccc1[O-])C1CC1 ZINC000296192835 1027570158 /nfs/dbraw/zinc/57/01/58/1027570158.db2.gz UYFUNZYRVKDPKH-BQYQJAHWSA-N -1 3 310.191 3.758 20 0 DHADHM O=C(c1ccccc1)C1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000813335095 1027611903 /nfs/dbraw/zinc/61/19/03/1027611903.db2.gz KLMXOPQJHITVLB-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(C2CCCC2)cc1 ZINC000576792675 1027662989 /nfs/dbraw/zinc/66/29/89/1027662989.db2.gz OZLIZPWXKMWVDP-UHFFFAOYSA-N -1 3 322.368 3.975 20 0 DHADHM CC1(C)CCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000577226973 1027729952 /nfs/dbraw/zinc/72/99/52/1027729952.db2.gz ZBMLIIVSBXJKAE-UHFFFAOYSA-N -1 3 312.207 3.522 20 0 DHADHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(C)cc1C ZINC001170726065 1027877588 /nfs/dbraw/zinc/87/75/88/1027877588.db2.gz WBOSJGVKVZLCPT-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(C)cc1C ZINC001170726065 1027877608 /nfs/dbraw/zinc/87/76/08/1027877608.db2.gz WBOSJGVKVZLCPT-ZDUSSCGKSA-N -1 3 323.400 3.665 20 0 DHADHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000814190043 1027945228 /nfs/dbraw/zinc/94/52/28/1027945228.db2.gz NOUHYZPYZSDYAM-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM CC(C)[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448691264 1027975862 /nfs/dbraw/zinc/97/58/62/1027975862.db2.gz PQNPBGWWUCRJIR-MRXNPFEDSA-N -1 3 315.388 3.630 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@@H]2CCOC2)no1 ZINC000577903300 1027984130 /nfs/dbraw/zinc/98/41/30/1027984130.db2.gz DPZJUUMMVZLXJR-OAHLLOKOSA-N -1 3 322.364 3.537 20 0 DHADHM CCCCc1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000448758981 1028049502 /nfs/dbraw/zinc/04/95/02/1028049502.db2.gz GFGGCHMKZTWUBN-UHFFFAOYSA-N -1 3 310.448 3.713 20 0 DHADHM O=C([N-]c1c(F)ccc(Br)c1F)c1ccco1 ZINC001134409541 1028078626 /nfs/dbraw/zinc/07/86/26/1028078626.db2.gz WDAABCOEJAPXND-UHFFFAOYSA-N -1 3 302.074 3.573 20 0 DHADHM CC(C)CN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448819873 1028102423 /nfs/dbraw/zinc/10/24/23/1028102423.db2.gz CWQQPSYKOQSIIW-UHFFFAOYSA-N -1 3 315.388 3.759 20 0 DHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000448892572 1028154037 /nfs/dbraw/zinc/15/40/37/1028154037.db2.gz CWONERYUSBTBFT-ZDUSSCGKSA-N -1 3 315.388 3.556 20 0 DHADHM Cc1cc(C)cc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448928342 1028183254 /nfs/dbraw/zinc/18/32/54/1028183254.db2.gz LURGAKCBJRURLR-CYBMUJFWSA-N -1 3 301.361 3.568 20 0 DHADHM CC(C)(CCNC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000579273905 1028368883 /nfs/dbraw/zinc/36/88/83/1028368883.db2.gz GAPYMXXYHUIBDE-UHFFFAOYSA-N -1 3 307.409 3.797 20 0 DHADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1C1CCC1 ZINC000528401695 1028389829 /nfs/dbraw/zinc/38/98/29/1028389829.db2.gz BGMJQASJAJBCRK-CQSZACIVSA-N -1 3 324.218 3.559 20 0 DHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000579612210 1028449184 /nfs/dbraw/zinc/44/91/84/1028449184.db2.gz BHXOIXBXVJTWDE-SCLBCKFNSA-N -1 3 313.784 3.888 20 0 DHADHM C[C@@H](N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000565104860 1028540091 /nfs/dbraw/zinc/54/00/91/1028540091.db2.gz PVLAPJHUPJPYKT-GFCCVEGCSA-N -1 3 316.401 3.906 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000626507691 1028582620 /nfs/dbraw/zinc/58/26/20/1028582620.db2.gz KASXZGITIAIJAU-WDEREUQCSA-N -1 3 301.308 3.504 20 0 DHADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC1CCCC1 ZINC000566073137 1028675202 /nfs/dbraw/zinc/67/52/02/1028675202.db2.gz DHJMYJZQKMODSV-UHFFFAOYSA-N -1 3 314.385 3.662 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2C)c([O-])c1 ZINC000193376135 1028722694 /nfs/dbraw/zinc/72/26/94/1028722694.db2.gz NSKHXYKQORSPDZ-QGZVFWFLSA-N -1 3 311.381 3.687 20 0 DHADHM CCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)c([O-])c1 ZINC001135585543 1028879854 /nfs/dbraw/zinc/87/98/54/1028879854.db2.gz VFTVLJKNPCWTQZ-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM [O-]c1ccc(F)c(CNc2cccc(Cn3cccn3)c2)c1F ZINC000816479560 1028890178 /nfs/dbraw/zinc/89/01/78/1028890178.db2.gz OOCWTZRAOGLJLX-UHFFFAOYSA-N -1 3 315.323 3.527 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccc(O)cc2)c1F ZINC000816496344 1028896968 /nfs/dbraw/zinc/89/69/68/1028896968.db2.gz GEVMJDOJNAMGGM-HNNXBMFYSA-N -1 3 305.324 3.713 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2)co1)c1nc(Cl)cs1 ZINC000816509126 1028912454 /nfs/dbraw/zinc/91/24/54/1028912454.db2.gz FMRYMJCDKQBJGD-UHFFFAOYSA-N -1 3 305.746 3.704 20 0 DHADHM CN1CCCc2cc(NCc3c(F)ccc([O-])c3F)ccc21 ZINC000816563566 1028946670 /nfs/dbraw/zinc/94/66/70/1028946670.db2.gz BTFZKOCDTQLCOD-UHFFFAOYSA-N -1 3 304.340 3.665 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1nc2ccccc2s1 ZINC000119596672 1028954750 /nfs/dbraw/zinc/95/47/50/1028954750.db2.gz NNNOGHSSWRJDGN-UHFFFAOYSA-N -1 3 308.284 3.966 20 0 DHADHM CCc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1[O-] ZINC001135689409 1029001171 /nfs/dbraw/zinc/00/11/71/1029001171.db2.gz YKJLGCQJRJADLJ-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000628397279 1029036314 /nfs/dbraw/zinc/03/63/14/1029036314.db2.gz XNBDUMNZMVNITA-TXEJJXNPSA-N -1 3 311.372 3.879 20 0 DHADHM O=C([N-]c1cc(F)ccc1O)c1snc(Cl)c1Cl ZINC000816944167 1029046004 /nfs/dbraw/zinc/04/60/04/1029046004.db2.gz UEOQOSZXZKVNAM-UHFFFAOYSA-N -1 3 307.133 3.547 20 0 DHADHM CC[C@H](C)CONC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000816976763 1029046399 /nfs/dbraw/zinc/04/63/99/1029046399.db2.gz JTRICSYPPKKEEJ-ZDUSSCGKSA-N -1 3 315.369 3.892 20 0 DHADHM O=C([N-][C@@H](c1ccccc1)C(F)F)C(F)(F)c1ccccc1 ZINC000817224029 1029089801 /nfs/dbraw/zinc/08/98/01/1029089801.db2.gz HIGDLTNGNCTYNW-ZDUSSCGKSA-N -1 3 311.278 3.901 20 0 DHADHM Cc1ccc(-c2cnccn2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000373713618 1029118679 /nfs/dbraw/zinc/11/86/79/1029118679.db2.gz RATCWTFCONYJMT-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc2c(c1)OCO2 ZINC000190735779 1029139109 /nfs/dbraw/zinc/13/91/09/1029139109.db2.gz SQRJBWSUJRQEKD-SECBINFHSA-N -1 3 323.751 3.764 20 0 DHADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)[N-]OCC1CC1 ZINC000817363232 1029142896 /nfs/dbraw/zinc/14/28/96/1029142896.db2.gz YGNNPFBDRCJCGW-UHFFFAOYSA-N -1 3 323.436 3.936 20 0 DHADHM Cc1ccc(OCCCC(=O)[N-]OCCC2CC2)c(Cl)c1 ZINC000817436852 1029168254 /nfs/dbraw/zinc/16/82/54/1029168254.db2.gz AXOBPGWHCAOTSA-UHFFFAOYSA-N -1 3 311.809 3.655 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000450083707 1029200270 /nfs/dbraw/zinc/20/02/70/1029200270.db2.gz GXPMKVSRNONZRH-RNFRBKRXSA-N -1 3 313.197 3.548 20 0 DHADHM CCCCOc1ccc(NC(=O)c2ccc(N)cc2[O-])c(C)c1 ZINC000817924628 1029276960 /nfs/dbraw/zinc/27/69/60/1029276960.db2.gz IXXRZCZUJMGNLJ-UHFFFAOYSA-N -1 3 314.385 3.714 20 0 DHADHM CC(C)c1c[nH]c(SCc2noc(-c3ccccc3[O-])n2)n1 ZINC000629228458 1029282826 /nfs/dbraw/zinc/28/28/26/1029282826.db2.gz PVKRZBMKSUSTLC-UHFFFAOYSA-N -1 3 316.386 3.581 20 0 DHADHM CCC1(CC)CN(C(=O)c2ccc(N)cc2[O-])c2ccccc21 ZINC000817997747 1029304605 /nfs/dbraw/zinc/30/46/05/1029304605.db2.gz WPHACMAZUCJEAM-UHFFFAOYSA-N -1 3 310.397 3.693 20 0 DHADHM C[C@H]1CC(C)(C)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000412050344 1029311594 /nfs/dbraw/zinc/31/15/94/1029311594.db2.gz YCTVLTYRGITTBJ-NSHDSACASA-N -1 3 311.385 3.702 20 0 DHADHM Cc1nc(CNCc2c([O-])ccc(Cl)c2F)sc1C ZINC000191252619 1029332424 /nfs/dbraw/zinc/33/24/24/1029332424.db2.gz FHKNYRIOMZXGHK-UHFFFAOYSA-N -1 3 300.786 3.548 20 0 DHADHM O=C(CCCc1ccccc1)[N-]OCC[C@@H]1CC1(Cl)Cl ZINC000818077645 1029330526 /nfs/dbraw/zinc/33/05/26/1029330526.db2.gz RFOPUIHEGQVGAW-CYBMUJFWSA-N -1 3 316.228 3.641 20 0 DHADHM COc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1 ZINC000818328724 1029367491 /nfs/dbraw/zinc/36/74/91/1029367491.db2.gz FJIURHDXGHFJIO-CYBMUJFWSA-N -1 3 311.809 3.568 20 0 DHADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1[O-] ZINC000412365172 1029418061 /nfs/dbraw/zinc/41/80/61/1029418061.db2.gz QZRRWLGAZVJYKA-QGZVFWFLSA-N -1 3 323.392 3.615 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000412460422 1029448446 /nfs/dbraw/zinc/44/84/46/1029448446.db2.gz FSDRVHGQJOIDOR-HZPDHXFCSA-N -1 3 319.420 3.797 20 0 DHADHM O=C([N-]OC1CCCC1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819462594 1029579086 /nfs/dbraw/zinc/57/90/86/1029579086.db2.gz IMTOYQSMKJXESW-HFCHRNICSA-N -1 3 305.340 3.592 20 0 DHADHM CCCCCc1nnc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC001136358534 1029749214 /nfs/dbraw/zinc/74/92/14/1029749214.db2.gz VCPLHTAHWJJEFA-UHFFFAOYSA-N -1 3 319.430 3.846 20 0 DHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C ZINC000450960362 1029751633 /nfs/dbraw/zinc/75/16/33/1029751633.db2.gz RJPGNMPDQMAFSM-UHFFFAOYSA-N -1 3 301.411 3.982 20 0 DHADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCc1ccccc1Cl ZINC000530164668 1029768645 /nfs/dbraw/zinc/76/86/45/1029768645.db2.gz BPWAVOSBQBNERV-INIZCTEOSA-N -1 3 319.788 3.550 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000530319634 1029815266 /nfs/dbraw/zinc/81/52/66/1029815266.db2.gz KBWFEWVSFKOHCU-OAHLLOKOSA-N -1 3 313.372 3.723 20 0 DHADHM Nc1ccc(Br)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001159926158 1029861607 /nfs/dbraw/zinc/86/16/07/1029861607.db2.gz DFDDVCGFCMNGFE-UHFFFAOYSA-N -1 3 315.117 3.759 20 0 DHADHM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1[O-] ZINC000533159659 1030162742 /nfs/dbraw/zinc/16/27/42/1030162742.db2.gz ODSMMVPZHIOOEW-UHFFFAOYSA-N -1 3 301.773 3.716 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000533184839 1030183385 /nfs/dbraw/zinc/18/33/85/1030183385.db2.gz DBELVABRRNWVBJ-QGZVFWFLSA-N -1 3 324.424 3.671 20 0 DHADHM CN(Cc1c(F)cccc1F)C(=O)c1cc([O-])ccc1Cl ZINC000358342252 1030447597 /nfs/dbraw/zinc/44/75/97/1030447597.db2.gz SYRZQFIYLRGRIP-UHFFFAOYSA-N -1 3 311.715 3.596 20 0 DHADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2[O-])C12CCCCC2 ZINC001136841655 1030510673 /nfs/dbraw/zinc/51/06/73/1030510673.db2.gz FJCZFPRPAKHMKA-IAGOWNOFSA-N -1 3 317.429 3.558 20 0 DHADHM CCS[C@H]1CC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072837659 1030582665 /nfs/dbraw/zinc/58/26/65/1030582665.db2.gz MMBLEYNUHYPFLS-MNOVXSKESA-N -1 3 323.487 3.503 20 0 DHADHM CSc1ccc([O-])c(C(=O)NC[C@H](C)c2cccc(C)c2)c1 ZINC001136913960 1030600625 /nfs/dbraw/zinc/60/06/25/1030600625.db2.gz GLSIHDOEJYXRET-ZDUSSCGKSA-N -1 3 315.438 3.956 20 0 DHADHM Cc1cccc(CN(C)C(=O)c2cc([O-])ccc2Cl)c1C ZINC000358768296 1030620256 /nfs/dbraw/zinc/62/02/56/1030620256.db2.gz DVBSKIYCGIUADS-UHFFFAOYSA-N -1 3 303.789 3.935 20 0 DHADHM Cc1nccn1-c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212008761 1030648134 /nfs/dbraw/zinc/64/81/34/1030648134.db2.gz COUPSVYTLOZAQV-UHFFFAOYSA-N -1 3 301.296 3.908 20 0 DHADHM [O-]c1ccc(Nc2ccc(O)c(Br)c2)c(F)c1F ZINC001212009529 1030651721 /nfs/dbraw/zinc/65/17/21/1030651721.db2.gz RREPUPKWLQTLMC-UHFFFAOYSA-N -1 3 316.101 3.882 20 0 DHADHM CCCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212013808 1030662787 /nfs/dbraw/zinc/66/27/87/1030662787.db2.gz LABMAWRJADWDHZ-UHFFFAOYSA-N -1 3 307.296 3.981 20 0 DHADHM CN1c2cc(Nc3ccc([O-])c(F)c3F)ccc2C(C)(C)C1=O ZINC001212016196 1030672069 /nfs/dbraw/zinc/67/20/69/1030672069.db2.gz CVHNFCWCVSCYRK-UHFFFAOYSA-N -1 3 318.323 3.668 20 0 DHADHM COC(=O)c1cc(F)c(C)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016600 1030676351 /nfs/dbraw/zinc/67/63/51/1030676351.db2.gz XSSCRAVSEBHKOO-UHFFFAOYSA-N -1 3 311.259 3.648 20 0 DHADHM CC1(C)COC(c2cccc(Nc3ccc([O-])c(F)c3F)c2)=N1 ZINC001212016423 1030677288 /nfs/dbraw/zinc/67/72/88/1030677288.db2.gz PIPSTZORJNJAFJ-UHFFFAOYSA-N -1 3 318.323 3.969 20 0 DHADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000614976166 1030893882 /nfs/dbraw/zinc/89/38/82/1030893882.db2.gz VJGYKTJIVAPNTJ-GFCCVEGCSA-N -1 3 323.458 3.534 20 0 DHADHM COc1cccc2nc(NC(=O)c3ccc(C)cc3[O-])sc21 ZINC001143691266 1030904343 /nfs/dbraw/zinc/90/43/43/1030904343.db2.gz JGCPVUDRSZKPLG-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM CCCC[C@@H](C)N(CCCC)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000359432905 1030965648 /nfs/dbraw/zinc/96/56/48/1030965648.db2.gz CFMRUJVEWWKAFZ-CYBMUJFWSA-N -1 3 321.465 3.549 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2cc[nH]n2)c1 ZINC001143828846 1030991093 /nfs/dbraw/zinc/99/10/93/1030991093.db2.gz NQICPKOGBKJUBH-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM Cc1ccc2nc(COC(=O)c3cc(Cl)c(Cl)[n-]3)cn2c1 ZINC000844343678 1031064121 /nfs/dbraw/zinc/06/41/21/1031064121.db2.gz UQMHJZFOYFTTQT-UHFFFAOYSA-N -1 3 324.167 3.635 20 0 DHADHM COc1ccccc1[C@@H](C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211299 1031162277 /nfs/dbraw/zinc/16/22/77/1031162277.db2.gz NDOMMZMRJCKTDA-NSHDSACASA-N -1 3 319.323 3.579 20 0 DHADHM C[C@H](CCc1cccc(F)c1)C(=O)[N-]OCCCC(F)(F)F ZINC000871213656 1031163267 /nfs/dbraw/zinc/16/32/67/1031163267.db2.gz XCQJNASNJVQIAD-LLVKDONJSA-N -1 3 321.314 3.785 20 0 DHADHM CC(=O)c1ccc(C(=O)[N-]c2c(C)noc2C(C)C)c(F)c1 ZINC000928785796 1031380486 /nfs/dbraw/zinc/38/04/86/1031380486.db2.gz HYVSLYJEXVADIT-UHFFFAOYSA-N -1 3 304.321 3.700 20 0 DHADHM O=C(Nc1cnn(C2CCCC2)c1)c1cc([O-])ccc1Cl ZINC000928794112 1031389124 /nfs/dbraw/zinc/38/91/24/1031389124.db2.gz PMOYESGSPHHPEQ-UHFFFAOYSA-N -1 3 305.765 3.610 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(Cl)c2OC)c1[O-] ZINC000536689498 1031392824 /nfs/dbraw/zinc/39/28/24/1031392824.db2.gz WJZBGNIKCWCSNO-UHFFFAOYSA-N -1 3 305.761 3.869 20 0 DHADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000872022618 1031406514 /nfs/dbraw/zinc/40/65/14/1031406514.db2.gz ZQRJXFFSEYARMZ-GHMZBOCLSA-N -1 3 303.333 3.672 20 0 DHADHM CCc1cccc(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)c1[O-] ZINC000536712251 1031407356 /nfs/dbraw/zinc/40/73/56/1031407356.db2.gz QEJHDZPDCZZEKG-CQSZACIVSA-N -1 3 316.426 3.601 20 0 DHADHM CC(C)Oc1ccc(CN[C@H](C)c2cccc([O-])c2F)cn1 ZINC000872025162 1031408354 /nfs/dbraw/zinc/40/83/54/1031408354.db2.gz HFPAVERGMFZWRD-GFCCVEGCSA-N -1 3 304.365 3.564 20 0 DHADHM C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872046194 1031432804 /nfs/dbraw/zinc/43/28/04/1031432804.db2.gz VJTIZEDMZKSNRT-YGRLFVJLSA-N -1 3 305.324 3.845 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000536890153 1031471184 /nfs/dbraw/zinc/47/11/84/1031471184.db2.gz NUIIDTNMVNVGRO-STQMWFEESA-N -1 3 305.736 3.927 20 0 DHADHM COC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cccc(OC)c1 ZINC000872084569 1031481114 /nfs/dbraw/zinc/48/11/14/1031481114.db2.gz HACJBUUNWGKBIZ-MLGOLLRUSA-N -1 3 319.376 3.578 20 0 DHADHM [O-]c1cccc(CNCc2ccc(OCC3CC3)nc2)c1Cl ZINC000293559063 1031519499 /nfs/dbraw/zinc/51/94/99/1031519499.db2.gz LZEVPGSCDVZORX-UHFFFAOYSA-N -1 3 318.804 3.519 20 0 DHADHM COCc1cc(CNCc2cccc([O-])c2Cl)ccc1F ZINC000293626268 1031546099 /nfs/dbraw/zinc/54/60/99/1031546099.db2.gz QSJFFPXPAMEDCF-UHFFFAOYSA-N -1 3 309.768 3.621 20 0 DHADHM C[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000872166984 1031547377 /nfs/dbraw/zinc/54/73/77/1031547377.db2.gz ZCJQLQAOSXZZHQ-YPMHNXCESA-N -1 3 321.726 3.740 20 0 DHADHM O=C(C[C@@H]1C=CCCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000777815989 1031597183 /nfs/dbraw/zinc/59/71/83/1031597183.db2.gz LYFUWXIFXWOVNL-GFCCVEGCSA-N -1 3 313.319 4.000 20 0 DHADHM CC(C)CO[N-]C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000760403257 1031703921 /nfs/dbraw/zinc/70/39/21/1031703921.db2.gz HCMPSDJXZKGJDW-UHFFFAOYSA-N -1 3 308.809 3.779 20 0 DHADHM COc1cccc(CCCN(C)Cc2c(F)cc([O-])cc2F)c1 ZINC001144560262 1031713258 /nfs/dbraw/zinc/71/32/58/1031713258.db2.gz YADLCRAQZZAZKG-UHFFFAOYSA-N -1 3 321.367 3.744 20 0 DHADHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000293958932 1031721304 /nfs/dbraw/zinc/72/13/04/1031721304.db2.gz PRSHFGMUIWGLHB-ZDUSSCGKSA-N -1 3 305.809 3.723 20 0 DHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 ZINC000561157970 1031753748 /nfs/dbraw/zinc/75/37/48/1031753748.db2.gz GOASOELDMWRHSN-IAQYHMDHSA-N -1 3 316.426 3.572 20 0 DHADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2F)c1[O-] ZINC000036752713 1031762572 /nfs/dbraw/zinc/76/25/72/1031762572.db2.gz WVXNMMDIHURDGT-UHFFFAOYSA-N -1 3 324.149 3.855 20 0 DHADHM CC(C)(C)CCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001144676905 1031811743 /nfs/dbraw/zinc/81/17/43/1031811743.db2.gz RWASYWGZBOMIPD-UHFFFAOYSA-N -1 3 306.332 3.759 20 0 DHADHM CC(C)(C)CCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001144676905 1031811754 /nfs/dbraw/zinc/81/17/54/1031811754.db2.gz RWASYWGZBOMIPD-UHFFFAOYSA-N -1 3 306.332 3.759 20 0 DHADHM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000561302208 1031813015 /nfs/dbraw/zinc/81/30/15/1031813015.db2.gz ZUZRTINOMPGIBD-HIFRSBDPSA-N -1 3 312.413 3.617 20 0 DHADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1cccc(F)c1 ZINC001144678112 1031821585 /nfs/dbraw/zinc/82/15/85/1031821585.db2.gz OUQXKLBHONJQRN-AWEZNQCLSA-N -1 3 305.374 3.923 20 0 DHADHM CCOc1ccc(CNCc2cccc([O-])c2Cl)cc1OC ZINC000294179394 1031851558 /nfs/dbraw/zinc/85/15/58/1031851558.db2.gz QJLFFSRSVPFUQS-UHFFFAOYSA-N -1 3 321.804 3.743 20 0 DHADHM O=C([O-])c1ccc(-c2nc(CN3CCCCCCC3)co2)cc1 ZINC000846231336 1031936993 /nfs/dbraw/zinc/93/69/93/1031936993.db2.gz KFOLPPGSPQPYIE-UHFFFAOYSA-N -1 3 314.385 3.806 20 0 DHADHM CCCCC[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000874040158 1031967328 /nfs/dbraw/zinc/96/73/28/1031967328.db2.gz HJKQYTZSCVLUMR-MRXNPFEDSA-N -1 3 315.417 3.530 20 0 DHADHM Cc1cccc2c(CCC(=O)[N-]OC3CCCCC3)c[nH]c21 ZINC000777960634 1032042618 /nfs/dbraw/zinc/04/26/18/1032042618.db2.gz BFCSFWRIEJLVNG-UHFFFAOYSA-N -1 3 300.402 3.789 20 0 DHADHM O=C(CCCCC(=O)c1ccc(F)cc1)[N-]OC1CCCCC1 ZINC000777961950 1032049274 /nfs/dbraw/zinc/04/92/74/1032049274.db2.gz POFKZOVRAZNJFM-UHFFFAOYSA-N -1 3 321.392 3.949 20 0 DHADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000860897469 1033530657 /nfs/dbraw/zinc/53/06/57/1033530657.db2.gz XXTOQULOLWDHFG-GFCCVEGCSA-N -1 3 317.335 3.609 20 0 DHADHM C[C@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)c2ccccc21 ZINC000878209389 1033622765 /nfs/dbraw/zinc/62/27/65/1033622765.db2.gz DKNULDYGTVPTBB-ZDUSSCGKSA-N -1 3 321.380 3.956 20 0 DHADHM CC[C@@](C)(NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878362181 1033673309 /nfs/dbraw/zinc/67/33/09/1033673309.db2.gz OPAFYZBETBROPA-LJQANCHMSA-N -1 3 323.396 3.857 20 0 DHADHM CC(C)(NCc1nnc(-c2ccccc2[O-])o1)c1cccs1 ZINC000878417637 1033696572 /nfs/dbraw/zinc/69/65/72/1033696572.db2.gz DKEVERRRPAVQSQ-UHFFFAOYSA-N -1 3 315.398 3.529 20 0 DHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)C(C)(C)c1ccccc1 ZINC000878572114 1033756925 /nfs/dbraw/zinc/75/69/25/1033756925.db2.gz JZBYAMJLMZOYNA-UHFFFAOYSA-N -1 3 323.396 3.809 20 0 DHADHM CC(=O)CCCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000862077079 1033757305 /nfs/dbraw/zinc/75/73/05/1033757305.db2.gz FWKSWRIHAYYUQT-UHFFFAOYSA-N -1 3 313.397 3.815 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000667576440 1033957517 /nfs/dbraw/zinc/95/75/17/1033957517.db2.gz MHWVBZZKEGXAAG-AWEZNQCLSA-N -1 3 313.422 3.744 20 0 DHADHM CC(C)(C)n1nc(C(=O)Nc2cc(F)ccc2[O-])cc1C1CC1 ZINC000174869556 1033962374 /nfs/dbraw/zinc/96/23/74/1033962374.db2.gz CLOVIKOBFXDIHS-UHFFFAOYSA-N -1 3 317.364 3.613 20 0 DHADHM [O-]c1cccc2sc(Nc3cccc(CO)c3Cl)nc21 ZINC001212759157 1033966479 /nfs/dbraw/zinc/96/64/79/1033966479.db2.gz FBCNADCLUGFWCX-UHFFFAOYSA-N -1 3 306.774 3.891 20 0 DHADHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299814365 1034020997 /nfs/dbraw/zinc/02/09/97/1034020997.db2.gz SUWSGIHMZNZTTJ-GTNSWQLSSA-N -1 3 321.421 3.520 20 0 DHADHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299814365 1034021006 /nfs/dbraw/zinc/02/10/06/1034021006.db2.gz SUWSGIHMZNZTTJ-GTNSWQLSSA-N -1 3 321.421 3.520 20 0 DHADHM CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175551995 1034025949 /nfs/dbraw/zinc/02/59/49/1034025949.db2.gz UGOIZMQNCSGHEB-RYUDHWBXSA-N -1 3 308.397 3.640 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000863244059 1034041268 /nfs/dbraw/zinc/04/12/68/1034041268.db2.gz YDXXQSPJDANFIQ-JENIJYKNSA-N -1 3 321.420 3.830 20 0 DHADHM CCN(CC)C(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174065865 1034068912 /nfs/dbraw/zinc/06/89/12/1034068912.db2.gz WRFDWLCHFFGJLW-UHFFFAOYSA-N -1 3 320.339 3.896 20 0 DHADHM C/C(=C\CN1CC=C(c2ccc(Cl)cc2C)CC1)C(=O)[O-] ZINC000863474193 1034105937 /nfs/dbraw/zinc/10/59/37/1034105937.db2.gz LAUHUVITVWNMQB-LFYBBSHMSA-N -1 3 305.805 3.768 20 0 DHADHM CCN(CCC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667669332 1034220796 /nfs/dbraw/zinc/22/07/96/1034220796.db2.gz OUAJQVBQBMXKET-UHFFFAOYSA-N -1 3 307.337 3.529 20 0 DHADHM O=C([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000864049560 1034278210 /nfs/dbraw/zinc/27/82/10/1034278210.db2.gz INRYVPDUYUSMCU-NEPJUHHUSA-N -1 3 311.834 3.508 20 0 DHADHM O=c1[n-]cncc1Nc1ccc(OCc2ccc(F)cc2)cc1 ZINC001174317546 1034284944 /nfs/dbraw/zinc/28/49/44/1034284944.db2.gz RRGCRENBGDLCKN-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM Cc1cc(CCCC(=O)[N-]OCc2cccc(C)n2)c(C)s1 ZINC000898933489 1034333828 /nfs/dbraw/zinc/33/38/28/1034333828.db2.gz CULXGJGSNOPMIK-UHFFFAOYSA-N -1 3 318.442 3.639 20 0 DHADHM Cn1cc(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2)cn1 ZINC001174378836 1034352877 /nfs/dbraw/zinc/35/28/77/1034352877.db2.gz COSYIKPGCLHBEC-UHFFFAOYSA-N -1 3 301.296 3.815 20 0 DHADHM CC(C)=CC[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864528615 1034375980 /nfs/dbraw/zinc/37/59/80/1034375980.db2.gz QQWLRRVKRSOWTG-ZDUSSCGKSA-N -1 3 302.201 3.893 20 0 DHADHM COc1cccc(C(=O)Nc2ccc3sc(C)nc3c2)c1[O-] ZINC000781220590 1034390993 /nfs/dbraw/zinc/39/09/93/1034390993.db2.gz HNTGSCZATBPCOW-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1ccnc2[nH]ccc21 ZINC001174414477 1034401739 /nfs/dbraw/zinc/40/17/39/1034401739.db2.gz DTUYUJCNTJTDFB-UHFFFAOYSA-N -1 3 322.137 3.865 20 0 DHADHM O=c1ccn(-c2ccc(Nc3ccc(N4CCCC4)cc3)cc2)[n-]1 ZINC001174527723 1034443806 /nfs/dbraw/zinc/44/38/06/1034443806.db2.gz LQNVFJCJGUTJIJ-UHFFFAOYSA-N -1 3 320.396 3.922 20 0 DHADHM CCc1c(C)cc([N-]S(=O)(=O)c2ccc(C)c(N)c2)cc1C ZINC001174679955 1034544548 /nfs/dbraw/zinc/54/45/48/1034544548.db2.gz ZGRLZAHWCHPYPA-UHFFFAOYSA-N -1 3 318.442 3.557 20 0 DHADHM [O-]c1cccc(Nc2ccc(N3CCOCC3)cc2)c1Cl ZINC001174709894 1034574677 /nfs/dbraw/zinc/57/46/77/1034574677.db2.gz UKOKZISFVICWPJ-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM O=C(c1ccccc1)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186171945 1034607605 /nfs/dbraw/zinc/60/76/05/1034607605.db2.gz JELVMFWZPCKELG-UHFFFAOYSA-N -1 3 313.372 3.626 20 0 DHADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000899376659 1034609521 /nfs/dbraw/zinc/60/95/21/1034609521.db2.gz RAPPZKLUMQTEQP-BFUOFWGJSA-N -1 3 313.372 3.684 20 0 DHADHM O=c1cc(Nc2ccc(Oc3cccnc3)cc2)nc(C2CC2)[n-]1 ZINC001174847178 1034642592 /nfs/dbraw/zinc/64/25/92/1034642592.db2.gz CIROBSQFRKVMFL-UHFFFAOYSA-N -1 3 320.352 3.991 20 0 DHADHM CC(C)(C)c1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001174931740 1034672217 /nfs/dbraw/zinc/67/22/17/1034672217.db2.gz VNKWEZAAVHOFSJ-UHFFFAOYSA-N -1 3 312.348 3.647 20 0 DHADHM CO[C@H]1CCOc2c(Nc3c(F)cc([O-])cc3F)cccc21 ZINC001175099573 1034782349 /nfs/dbraw/zinc/78/23/49/1034782349.db2.gz NDYUVLCDIAOSKJ-AWEZNQCLSA-N -1 3 307.296 3.884 20 0 DHADHM C[C@@H]1Cc2cc(Nc3c(F)cc([O-])cc3F)ccc2N(C)C1=O ZINC001175102558 1034783372 /nfs/dbraw/zinc/78/33/72/1034783372.db2.gz ORTXZKYXQLWHGA-SECBINFHSA-N -1 3 318.323 3.569 20 0 DHADHM O=c1cc(Nc2cc(F)c(F)cc2F)[n-]n1-c1ccccc1 ZINC001175083964 1034802428 /nfs/dbraw/zinc/80/24/28/1034802428.db2.gz GRTDYHUQVVGXTR-UHFFFAOYSA-N -1 3 305.259 3.739 20 0 DHADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000192724873 1034817167 /nfs/dbraw/zinc/81/71/67/1034817167.db2.gz ZMRIEFXFBFIDKB-FZMZJTMJSA-N -1 3 305.809 3.946 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)n1 ZINC000192763449 1034819611 /nfs/dbraw/zinc/81/96/11/1034819611.db2.gz AYCWSPMIDKVHIP-NXEZZACHSA-N -1 3 309.772 3.695 20 0 DHADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)c(Br)n1 ZINC001175261272 1034912584 /nfs/dbraw/zinc/91/25/84/1034912584.db2.gz JQUIXOQHOOBVAD-UHFFFAOYSA-N -1 3 315.117 3.880 20 0 DHADHM CC(C)OC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175259880 1034910044 /nfs/dbraw/zinc/91/00/44/1034910044.db2.gz WQZVHIGYRPBGER-UHFFFAOYSA-N -1 3 307.296 3.979 20 0 DHADHM [O-]c1ccc(F)c(Nc2cc(F)cnc2Br)c1F ZINC001175262496 1034911879 /nfs/dbraw/zinc/91/18/79/1034911879.db2.gz HAKHFDNFLGXCCR-UHFFFAOYSA-N -1 3 319.080 3.711 20 0 DHADHM CCOC(=O)c1c(C)csc1Nc1c(F)ccc([O-])c1F ZINC001175261824 1034912624 /nfs/dbraw/zinc/91/26/24/1034912624.db2.gz RJWONTKDMKZYQI-UHFFFAOYSA-N -1 3 313.325 3.961 20 0 DHADHM CC(=O)N1CCCc2ccc(Nc3c(F)ccc([O-])c3F)cc21 ZINC001175268251 1034913955 /nfs/dbraw/zinc/91/39/55/1034913955.db2.gz PCGFFVRAAOHMKK-UHFFFAOYSA-N -1 3 318.323 3.713 20 0 DHADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)c(C)cc1C ZINC001175269564 1034916090 /nfs/dbraw/zinc/91/60/90/1034916090.db2.gz HMPFKZCSYFRWGF-UHFFFAOYSA-N -1 3 307.296 3.817 20 0 DHADHM COC(=O)/C=C/c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270533 1034916108 /nfs/dbraw/zinc/91/61/08/1034916108.db2.gz DELXPMDUSMFRPB-VMPITWQZSA-N -1 3 305.280 3.600 20 0 DHADHM O=C1CCCN1Cc1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175268810 1034916734 /nfs/dbraw/zinc/91/67/34/1034916734.db2.gz XDPSAMGXJWAEOV-UHFFFAOYSA-N -1 3 318.323 3.536 20 0 DHADHM [O-]c1cccc2sc(Nc3ccc(N4CCCC4)nc3)nc21 ZINC001175344499 1034920260 /nfs/dbraw/zinc/92/02/60/1034920260.db2.gz VHMMTYKBDFJOLA-UHFFFAOYSA-N -1 3 312.398 3.741 20 0 DHADHM COc1cccc(SC)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000667931037 1034945644 /nfs/dbraw/zinc/94/56/44/1034945644.db2.gz OIIPOTRAVDYKRZ-UHFFFAOYSA-N -1 3 318.398 3.925 20 0 DHADHM O=c1cc(Nc2ccc(-n3cccn3)cc2)[n-]n1-c1ccccc1 ZINC001175369981 1034956791 /nfs/dbraw/zinc/95/67/91/1034956791.db2.gz RPQQIFWZDZLDKD-UHFFFAOYSA-N -1 3 317.352 3.507 20 0 DHADHM Cc1ccc2sc(Nc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001175421823 1034976323 /nfs/dbraw/zinc/97/63/23/1034976323.db2.gz DAFNAYRATXYONY-UHFFFAOYSA-N -1 3 308.370 3.528 20 0 DHADHM Clc1ccc2cc(Nc3ccc(-c4nn[n-]n4)cc3)cnc2c1 ZINC001175427423 1034978125 /nfs/dbraw/zinc/97/81/25/1034978125.db2.gz DAIWUJYZCMKQSI-UHFFFAOYSA-N -1 3 322.759 3.812 20 0 DHADHM c1ccc(OC2CCCC2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429816 1034978151 /nfs/dbraw/zinc/97/81/51/1034978151.db2.gz PUXSPVAJXAWOPG-UHFFFAOYSA-N -1 3 321.384 3.932 20 0 DHADHM c1ccc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001175429399 1034978879 /nfs/dbraw/zinc/97/88/79/1034978879.db2.gz KHIWAXLOYQBPGM-UHFFFAOYSA-N -1 3 314.352 3.672 20 0 DHADHM FC(F)(F)Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430033 1034981108 /nfs/dbraw/zinc/98/11/08/1034981108.db2.gz BGJQNTSADRSPOG-UHFFFAOYSA-N -1 3 319.290 3.715 20 0 DHADHM Fc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1C(F)(F)F ZINC001175430469 1034981261 /nfs/dbraw/zinc/98/12/61/1034981261.db2.gz SGBOKYZLMMKHKR-UHFFFAOYSA-N -1 3 323.253 3.768 20 0 DHADHM [O-]c1cccc(Nc2ccc3nccnc3c2)c1Br ZINC001175491726 1035001022 /nfs/dbraw/zinc/00/10/22/1035001022.db2.gz OSYFMTCAEXZTGG-UHFFFAOYSA-N -1 3 316.158 3.842 20 0 DHADHM [O-]c1cccc(Nc2cccc3c[nH]nc32)c1Br ZINC001175641903 1035058309 /nfs/dbraw/zinc/05/83/09/1035058309.db2.gz PHRLPGJICGOKRZ-UHFFFAOYSA-N -1 3 304.147 3.775 20 0 DHADHM [O-]c1c(F)cc(Br)cc1Nc1cnn(C2CC2)c1 ZINC001175964252 1035167375 /nfs/dbraw/zinc/16/73/75/1035167375.db2.gz NQSOQGLFKFZMOH-UHFFFAOYSA-N -1 3 312.142 3.569 20 0 DHADHM [O-]c1cccc(Nc2cccc(N3CCOCC3)c2)c1Cl ZINC001176017590 1035185804 /nfs/dbraw/zinc/18/58/04/1035185804.db2.gz GZZITUDIJTZCGJ-UHFFFAOYSA-N -1 3 304.777 3.626 20 0 DHADHM [O-]c1cc(Br)cnc1Nc1cncc(C2CC2)c1 ZINC001176282095 1035233293 /nfs/dbraw/zinc/23/32/93/1035233293.db2.gz OECHPWUUDXXXDD-UHFFFAOYSA-N -1 3 306.163 3.566 20 0 DHADHM [O-]c1cc(F)cnc1Nc1ccc(OCc2ccccc2)nc1 ZINC001176306081 1035248358 /nfs/dbraw/zinc/24/83/58/1035248358.db2.gz QOAKWYWRGMOCIL-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM O=c1cc(Nc2ccc(Oc3ccccc3)nc2)nc(C2CC2)[n-]1 ZINC001176373781 1035260167 /nfs/dbraw/zinc/26/01/67/1035260167.db2.gz BECZYDIDQXMYOV-UHFFFAOYSA-N -1 3 320.352 3.991 20 0 DHADHM CCc1ccc([C@H]2CN(Cc3cc([O-])cc(F)c3)CCO2)cc1 ZINC000483446590 1035269943 /nfs/dbraw/zinc/26/99/43/1035269943.db2.gz XOFIBDVLECDSOT-LJQANCHMSA-N -1 3 315.388 3.667 20 0 DHADHM O=C([O-])C[C@@H](NCc1coc2ccccc12)c1cccs1 ZINC000161082239 1035293930 /nfs/dbraw/zinc/29/39/30/1035293930.db2.gz CAXAJSKQLFTFDP-CYBMUJFWSA-N -1 3 301.367 3.800 20 0 DHADHM CC(C)Oc1cc(C(F)(F)F)ccc1Nc1cnc[n-]c1=O ZINC001176598418 1035307391 /nfs/dbraw/zinc/30/73/91/1035307391.db2.gz WNDFWVGTYQFJGP-UHFFFAOYSA-N -1 3 313.279 3.732 20 0 DHADHM CCC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000484088659 1035317824 /nfs/dbraw/zinc/31/78/24/1035317824.db2.gz LLKLEVDXWRQWFS-ZDUSSCGKSA-N -1 3 310.357 3.587 20 0 DHADHM CC(C)=CCSC[C@@H](NCc1cscc1Cl)C(=O)[O-] ZINC000904013298 1035346664 /nfs/dbraw/zinc/34/66/64/1035346664.db2.gz CGHDATDNXKFQAM-GFCCVEGCSA-N -1 3 319.879 3.644 20 0 DHADHM Cc1ccc(C)c(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904046214 1035352691 /nfs/dbraw/zinc/35/26/91/1035352691.db2.gz XNZWPKTVAUIKJZ-KRWDZBQOSA-N -1 3 301.361 3.748 20 0 DHADHM Cc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(F)F)nc2)c1 ZINC000904046094 1035352826 /nfs/dbraw/zinc/35/28/26/1035352826.db2.gz UVPWZXIWIXPODO-HNNXBMFYSA-N -1 3 320.339 3.633 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc3c(C)nccc23)c1 ZINC001177503596 1035375307 /nfs/dbraw/zinc/37/53/07/1035375307.db2.gz ZIZFUYGIECXVMO-UHFFFAOYSA-N -1 3 308.337 3.510 20 0 DHADHM CC[C@H](N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2)c1cc(F)ccc1F ZINC000904221852 1035385395 /nfs/dbraw/zinc/38/53/95/1035385395.db2.gz QPEYPIAWEYYZLO-ZNMIVQPWSA-N -1 3 324.371 3.584 20 0 DHADHM CCc1cccc(C(=O)Nc2c(C(C)C)nc3ccccn32)c1[O-] ZINC001178753995 1035445715 /nfs/dbraw/zinc/44/57/15/1035445715.db2.gz YKNGHZIVKYZZAG-UHFFFAOYSA-N -1 3 323.396 3.978 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)C=Cc1cc2ccccc2o1 ZINC001178757364 1035446491 /nfs/dbraw/zinc/44/64/91/1035446491.db2.gz QUKGHVFEPUZUBK-MDZDMXLPSA-N -1 3 321.332 3.993 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001179076201 1035463648 /nfs/dbraw/zinc/46/36/48/1035463648.db2.gz UMMAHVLMEVBVGQ-GFCCVEGCSA-N -1 3 309.410 3.520 20 0 DHADHM CCCCC[C@@H](C)CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001179076201 1035463653 /nfs/dbraw/zinc/46/36/53/1035463653.db2.gz UMMAHVLMEVBVGQ-GFCCVEGCSA-N -1 3 309.410 3.520 20 0 DHADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905718030 1035622634 /nfs/dbraw/zinc/62/26/34/1035622634.db2.gz BNGZYLMBFFXWAE-INIZCTEOSA-N -1 3 318.804 3.920 20 0 DHADHM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000535413771 1035624511 /nfs/dbraw/zinc/62/45/11/1035624511.db2.gz SCAIJXPYMALRBI-UHFFFAOYSA-N -1 3 318.735 3.929 20 0 DHADHM O=C(CCC(F)=C(F)F)Nc1cc(Br)ccc1[O-] ZINC001180277866 1035640979 /nfs/dbraw/zinc/64/09/79/1035640979.db2.gz OMPFJJABXJKZGR-UHFFFAOYSA-N -1 3 324.096 3.951 20 0 DHADHM O=C([O-])C[C@@H]1CC[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000905816269 1035673981 /nfs/dbraw/zinc/67/39/81/1035673981.db2.gz XWVQUVSHOYJTJS-MNOVXSKESA-N -1 3 322.455 3.605 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cccc2cc(O)ccc21 ZINC001193937213 1035763955 /nfs/dbraw/zinc/76/39/55/1035763955.db2.gz SZJRXCBSQFCZEK-UHFFFAOYSA-N -1 3 309.321 3.517 20 0 DHADHM Cc1ccc2nc(NC(=O)c3c(C)cc(O)cc3[O-])sc2c1 ZINC001193911583 1035767629 /nfs/dbraw/zinc/76/76/29/1035767629.db2.gz KZLSOUMKZUYYGA-UHFFFAOYSA-N -1 3 314.366 3.577 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ncccc1-c1ccccc1 ZINC001193923147 1035771145 /nfs/dbraw/zinc/77/11/45/1035771145.db2.gz XBEMZEBOCCJGSA-UHFFFAOYSA-N -1 3 320.348 3.721 20 0 DHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001193946725 1035793057 /nfs/dbraw/zinc/79/30/57/1035793057.db2.gz YZNMPRDSONOBAA-KRWDZBQOSA-N -1 3 317.360 3.672 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)Oc1ccc(Cl)cc1 ZINC001194061114 1035819190 /nfs/dbraw/zinc/81/91/90/1035819190.db2.gz DGUKNKKCFVCNSN-UHFFFAOYSA-N -1 3 305.717 3.859 20 0 DHADHM CC(C)[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001181493607 1035927348 /nfs/dbraw/zinc/92/73/48/1035927348.db2.gz NWBVJBFZKABKPP-LLVKDONJSA-N -1 3 307.390 3.578 20 0 DHADHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181778435 1035988978 /nfs/dbraw/zinc/98/89/78/1035988978.db2.gz PJABCYLKCWGRFE-SECBINFHSA-N -1 3 309.724 3.591 20 0 DHADHM Cc1ccc(C2(C(=O)Nc3cncc([O-])c3)CCCCC2)cc1 ZINC001181867950 1036025452 /nfs/dbraw/zinc/02/54/52/1036025452.db2.gz HQECZXNMIWZYBJ-UHFFFAOYSA-N -1 3 310.397 3.936 20 0 DHADHM O=c1cc(C=Cc2ccccc2Cl)nc(-c2ccncc2)[n-]1 ZINC000485999345 1036073473 /nfs/dbraw/zinc/07/34/73/1036073473.db2.gz CCWMWPOTXUMZIL-WAYWQWQTSA-N -1 3 309.756 3.656 20 0 DHADHM [O-]c1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1F ZINC000775635271 1036126170 /nfs/dbraw/zinc/12/61/70/1036126170.db2.gz UZZDKFMSOMKUDR-INIZCTEOSA-N -1 3 314.385 3.867 20 0 DHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2cnccc2Cl)c1 ZINC001195116570 1036138461 /nfs/dbraw/zinc/13/84/61/1036138461.db2.gz NEKPDAIQPAUBQM-UHFFFAOYSA-N -1 3 310.806 3.659 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000907093518 1036140244 /nfs/dbraw/zinc/14/02/44/1036140244.db2.gz XTACDGCZJQEPFU-NSHDSACASA-N -1 3 309.793 3.724 20 0 DHADHM CC[C@@H](C)OC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001195133913 1036147151 /nfs/dbraw/zinc/14/71/51/1036147151.db2.gz ZYIRVZAXDBWUOG-SNVBAGLBSA-N -1 3 309.362 3.695 20 0 DHADHM CCC1(NC(=O)c2ccc(Cl)[n-]c2=O)CCC(F)(F)CC1 ZINC001195140733 1036149725 /nfs/dbraw/zinc/14/97/25/1036149725.db2.gz CHISOCMKFWUFHX-UHFFFAOYSA-N -1 3 318.751 3.529 20 0 DHADHM CCc1ccccc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001182241407 1036154957 /nfs/dbraw/zinc/15/49/57/1036154957.db2.gz KCJYYLDNMYOHKS-UHFFFAOYSA-N -1 3 306.365 3.651 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1 ZINC000243726098 1036202228 /nfs/dbraw/zinc/20/22/28/1036202228.db2.gz PQUFAJNBDFWDET-UHFFFAOYSA-N -1 3 319.426 3.891 20 0 DHADHM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000229338086 1036263309 /nfs/dbraw/zinc/26/33/09/1036263309.db2.gz BZMIGVPALAYIQL-UHFFFAOYSA-N -1 3 307.390 3.860 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c1[O-] ZINC000541476391 1036331655 /nfs/dbraw/zinc/33/16/55/1036331655.db2.gz GAPZVBNNAIPPPB-QGZVFWFLSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195806693 1036355840 /nfs/dbraw/zinc/35/58/40/1036355840.db2.gz LTFZEDRWIRHTEN-UHFFFAOYSA-N -1 3 319.426 3.799 20 0 DHADHM Cc1cccc(C(C)(C)C)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195806693 1036355858 /nfs/dbraw/zinc/35/58/58/1036355858.db2.gz LTFZEDRWIRHTEN-UHFFFAOYSA-N -1 3 319.426 3.799 20 0 DHADHM O=C([N-]Cc1sccc1Cl)C(F)(F)c1ccc(F)cc1 ZINC001182890354 1036476639 /nfs/dbraw/zinc/47/66/39/1036476639.db2.gz OBILIQXVDCPGOG-UHFFFAOYSA-N -1 3 319.735 3.949 20 0 DHADHM Cc1ccc(F)cc1C(=O)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000541979618 1036479544 /nfs/dbraw/zinc/47/95/44/1036479544.db2.gz JPKLLVONWSOFLM-UHFFFAOYSA-N -1 3 321.735 3.623 20 0 DHADHM C[C@@H]1CCc2c(sc3[n-]c(COC4CCCC4)nc(=O)c23)C1 ZINC000174446734 1036489660 /nfs/dbraw/zinc/48/96/60/1036489660.db2.gz UHYDUZLFCFPHSZ-SNVBAGLBSA-N -1 3 318.442 3.569 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccccc1Nc1ccccc1 ZINC000302900306 1036523406 /nfs/dbraw/zinc/52/34/06/1036523406.db2.gz RBJGSMRPDZXLDT-UHFFFAOYSA-N -1 3 305.337 3.783 20 0 DHADHM C[C@H]1c2ccccc2CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001196498058 1036560841 /nfs/dbraw/zinc/56/08/41/1036560841.db2.gz KWTBSXBBZVVPJN-AWEZNQCLSA-N -1 3 317.392 3.926 20 0 DHADHM CC(C)(C)c1nc(C(=O)[N-]c2ncccc2-c2ccccc2)no1 ZINC001196979644 1036664889 /nfs/dbraw/zinc/66/48/89/1036664889.db2.gz DCSHGHSCVXGPOM-UHFFFAOYSA-N -1 3 322.368 3.681 20 0 DHADHM CCc1cccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1[O-] ZINC000762318944 1036702601 /nfs/dbraw/zinc/70/26/01/1036702601.db2.gz POHCONDQMSKMBC-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1cccc(Cl)c1[O-] ZINC000784563436 1036736638 /nfs/dbraw/zinc/73/66/38/1036736638.db2.gz OXODPEPXFGMSPU-NSHDSACASA-N -1 3 310.777 3.694 20 0 DHADHM CN(Cc1ccc(Cl)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000234287588 1036779343 /nfs/dbraw/zinc/77/93/43/1036779343.db2.gz FPCLINBEULXYDJ-UHFFFAOYSA-N -1 3 310.180 3.971 20 0 DHADHM O=C([O-])c1ccccc1CCN1CCc2c(Cl)cccc2C1 ZINC000569981439 1036849713 /nfs/dbraw/zinc/84/97/13/1036849713.db2.gz DLLYSUSTMUIXOU-UHFFFAOYSA-N -1 3 315.800 3.639 20 0 DHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC001184510842 1036875838 /nfs/dbraw/zinc/87/58/38/1036875838.db2.gz NPXZZZZWTAFSBH-NXEZZACHSA-N -1 3 312.207 3.920 20 0 DHADHM Cc1ccc(C[C@@H](C)NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000235498590 1036906626 /nfs/dbraw/zinc/90/66/26/1036906626.db2.gz HKZMHPVAYZVMNT-SECBINFHSA-N -1 3 309.818 3.777 20 0 DHADHM C[C@H]1CC/C(=C\C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000762819999 1036952254 /nfs/dbraw/zinc/95/22/54/1036952254.db2.gz WXWRKUVHZPSQBG-HZAKCSEPSA-N -1 3 310.191 3.840 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000668844745 1036984119 /nfs/dbraw/zinc/98/41/19/1036984119.db2.gz QBTSEJVCZUSXMO-JMSVASOKSA-N -1 3 305.443 3.907 20 0 DHADHM Cc1nc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc(=O)[n-]1 ZINC001198468048 1037031770 /nfs/dbraw/zinc/03/17/70/1037031770.db2.gz SWDIVTTWVYDTQS-UHFFFAOYSA-N -1 3 316.430 3.597 20 0 DHADHM CSc1cncc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000911058631 1037045002 /nfs/dbraw/zinc/04/50/02/1037045002.db2.gz WXOOLNTZNVUTRV-UHFFFAOYSA-N -1 3 320.389 3.610 20 0 DHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(C)c2ccccc2n1 ZINC001198603304 1037079156 /nfs/dbraw/zinc/07/91/56/1037079156.db2.gz ADOINZBCFSTZEI-UHFFFAOYSA-N -1 3 320.348 3.704 20 0 DHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OC1CCCC1 ZINC000774873822 1037133496 /nfs/dbraw/zinc/13/34/96/1037133496.db2.gz CMVQBQBUQAQJPM-UHFFFAOYSA-N -1 3 318.442 4.000 20 0 DHADHM CCc1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)c([O-])c1 ZINC001198905657 1037168282 /nfs/dbraw/zinc/16/82/82/1037168282.db2.gz BUGJTQDPPCJXIG-UHFFFAOYSA-N -1 3 309.365 3.726 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3occc3c2)c(C)c1 ZINC001198943768 1037175460 /nfs/dbraw/zinc/17/54/60/1037175460.db2.gz PNYMCMFZNJIYNA-UHFFFAOYSA-N -1 3 317.366 3.551 20 0 DHADHM O=C(/C=C/C1CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000493149821 1037213707 /nfs/dbraw/zinc/21/37/07/1037213707.db2.gz KMIQXEVRJDHCIN-SOFGYWHQSA-N -1 3 324.218 3.517 20 0 DHADHM CCc1cccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000075284001 1037292915 /nfs/dbraw/zinc/29/29/15/1037292915.db2.gz DBQRNMOYNJLYHA-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM Cc1c(Cl)onc1C(=O)[N-]c1cc(F)cc2cccnc21 ZINC001199674482 1037302725 /nfs/dbraw/zinc/30/27/25/1037302725.db2.gz BJNNTHZSCXZBIT-UHFFFAOYSA-N -1 3 305.696 3.576 20 0 DHADHM CC(C)Oc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)cnc1F ZINC001199720804 1037314341 /nfs/dbraw/zinc/31/43/41/1037314341.db2.gz GDSBIFCWNUVLKC-UHFFFAOYSA-N -1 3 324.739 3.619 20 0 DHADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000153441291 1037341171 /nfs/dbraw/zinc/34/11/71/1037341171.db2.gz HPFMCKRJPYRXGR-LLVKDONJSA-N -1 3 317.772 3.941 20 0 DHADHM CC(C)CCOC(=O)[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263074 1037368524 /nfs/dbraw/zinc/36/85/24/1037368524.db2.gz QHODXXGTHRMVBC-VIFPVBQESA-N -1 3 304.745 3.541 20 0 DHADHM O=C(Nc1ccc(F)c([O-])c1)N[C@H]1CCCc2ccccc21 ZINC001186459024 1037422734 /nfs/dbraw/zinc/42/27/34/1037422734.db2.gz WYENILCJYZKFKK-HNNXBMFYSA-N -1 3 300.333 3.730 20 0 DHADHM CCOc1ccccc1N(C)C(=O)c1cc([O-])ccc1Cl ZINC000489509347 1037467775 /nfs/dbraw/zinc/46/77/75/1037467775.db2.gz JGNFULJTWYPXPS-UHFFFAOYSA-N -1 3 305.761 3.721 20 0 DHADHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007402758 1037492401 /nfs/dbraw/zinc/49/24/01/1037492401.db2.gz RGLIJPDEIJJTOF-UHFFFAOYSA-N -1 3 321.829 3.938 20 0 DHADHM O=C(NCC1CCCCC1)Nc1nc2c(cccc2[O-])s1 ZINC001186841536 1037497473 /nfs/dbraw/zinc/49/74/73/1037497473.db2.gz QOYZGOVBSPNMPC-UHFFFAOYSA-N -1 3 305.403 3.704 20 0 DHADHM [O-]c1cncc(NC(=S)Nc2cccc(Cl)c2Cl)c1 ZINC001201005707 1037507724 /nfs/dbraw/zinc/50/77/24/1037507724.db2.gz BGXOJRSONCRDQO-UHFFFAOYSA-N -1 3 314.197 3.903 20 0 DHADHM CC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001187180092 1037589732 /nfs/dbraw/zinc/58/97/32/1037589732.db2.gz JOTKZZNVXVJCQF-UHFFFAOYSA-N -1 3 307.818 3.584 20 0 DHADHM O=C(Nc1ccc(Nc2ncc(F)cc2[O-])cc1)c1ccccc1 ZINC001201310959 1037603420 /nfs/dbraw/zinc/60/34/20/1037603420.db2.gz KSWDUWFEHPJPAX-UHFFFAOYSA-N -1 3 323.327 3.922 20 0 DHADHM CC[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000916140855 1037692312 /nfs/dbraw/zinc/69/23/12/1037692312.db2.gz CRGZOJSZACEQEQ-GFCCVEGCSA-N -1 3 321.804 3.917 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccoc1C(F)(F)F ZINC001187721213 1037710618 /nfs/dbraw/zinc/71/06/18/1037710618.db2.gz KSAZYZZWTZDMKP-UHFFFAOYSA-N -1 3 305.639 3.910 20 0 DHADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001187746212 1037720597 /nfs/dbraw/zinc/72/05/97/1037720597.db2.gz VSCKREBTYHRZBK-LBPRGKRZSA-N -1 3 319.417 3.910 20 0 DHADHM Cc1nc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)co1 ZINC000913134979 1037731431 /nfs/dbraw/zinc/73/14/31/1037731431.db2.gz ZIMXZQFNGHCVIC-UHFFFAOYSA-N -1 3 308.337 3.916 20 0 DHADHM O=C(Nc1ncccc1[O-])c1cccc(COc2ccccc2)c1 ZINC001187960015 1037763499 /nfs/dbraw/zinc/76/34/99/1037763499.db2.gz PNDDZVODEITSFR-UHFFFAOYSA-N -1 3 320.348 3.619 20 0 DHADHM CSc1ccc(NC(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001188110174 1037815370 /nfs/dbraw/zinc/81/53/70/1037815370.db2.gz IMDWNPUVMODOPG-UHFFFAOYSA-N -1 3 316.382 3.961 20 0 DHADHM CSc1ccc(NC(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC001188110737 1037817885 /nfs/dbraw/zinc/81/78/85/1037817885.db2.gz WLLYNJJKSYIDAH-UHFFFAOYSA-N -1 3 316.382 3.961 20 0 DHADHM [O-]c1cc(F)cnc1Nc1cncc(OCc2ccccc2)c1 ZINC001201623067 1037818460 /nfs/dbraw/zinc/81/84/60/1037818460.db2.gz QQKYHBUBGUTMHR-UHFFFAOYSA-N -1 3 311.316 3.644 20 0 DHADHM [O-]c1cc(F)cc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000185608866 1037823110 /nfs/dbraw/zinc/82/31/10/1037823110.db2.gz QNSRVXSDVWUQHO-UHFFFAOYSA-N -1 3 324.359 3.806 20 0 DHADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913357977 1037825837 /nfs/dbraw/zinc/82/58/37/1037825837.db2.gz SLOOXODZCPWSCS-CYBMUJFWSA-N -1 3 313.405 3.578 20 0 DHADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913357977 1037825856 /nfs/dbraw/zinc/82/58/56/1037825856.db2.gz SLOOXODZCPWSCS-CYBMUJFWSA-N -1 3 313.405 3.578 20 0 DHADHM CC(C)CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC001188148377 1037829409 /nfs/dbraw/zinc/82/94/09/1037829409.db2.gz LRIKOQLDAJXXJJ-UHFFFAOYSA-N -1 3 319.829 3.584 20 0 DHADHM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])c1 ZINC000123716760 1037861167 /nfs/dbraw/zinc/86/11/67/1037861167.db2.gz HKOUZLLMJPQCIB-KRWDZBQOSA-N -1 3 311.381 3.687 20 0 DHADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)o1 ZINC000124199286 1037890579 /nfs/dbraw/zinc/89/05/79/1037890579.db2.gz SFDSHMYODZEKGP-MLGOLLRUSA-N -1 3 311.381 3.913 20 0 DHADHM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(F)c[nH]1 ZINC001188475560 1037909153 /nfs/dbraw/zinc/90/91/53/1037909153.db2.gz DTSVFOPHCVGEFK-UHFFFAOYSA-N -1 3 311.407 3.553 20 0 DHADHM Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188610605 1037931509 /nfs/dbraw/zinc/93/15/09/1037931509.db2.gz TUGHFMKVBRYKMI-UHFFFAOYSA-N -1 3 306.170 3.696 20 0 DHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C2CCOCC2)cc1 ZINC001188648141 1037943339 /nfs/dbraw/zinc/94/33/39/1037943339.db2.gz FIXFFFGSKNMCDT-UHFFFAOYSA-N -1 3 311.381 3.847 20 0 DHADHM Cc1cc(C)cc(OC[C@H](C)NC(=O)c2c(C)cccc2[O-])c1 ZINC001188654434 1037945037 /nfs/dbraw/zinc/94/50/37/1037945037.db2.gz ATBFENCDNPHTHL-HNNXBMFYSA-N -1 3 313.397 3.515 20 0 DHADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cn2ccnc2s1 ZINC000188854042 1037997631 /nfs/dbraw/zinc/99/76/31/1037997631.db2.gz TYMCKXBCCJISQH-UHFFFAOYSA-N -1 3 324.365 3.612 20 0 DHADHM CC(=O)CCc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000916854954 1037999788 /nfs/dbraw/zinc/99/97/88/1037999788.db2.gz QQANAGPUHKFSCA-UHFFFAOYSA-N -1 3 313.378 3.970 20 0 DHADHM CC(=O)c1ccsc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC001189184014 1038084076 /nfs/dbraw/zinc/08/40/76/1038084076.db2.gz UTUMGBQIPPVUGQ-UHFFFAOYSA-N -1 3 318.379 3.920 20 0 DHADHM [O-]c1cccc(Cl)c1CNc1cccc(Cn2cccn2)c1 ZINC000156473031 1038113305 /nfs/dbraw/zinc/11/33/05/1038113305.db2.gz NFXCAZUWCXIMCS-UHFFFAOYSA-N -1 3 313.788 3.903 20 0 DHADHM CCc1cccc(C)c1NC(=O)Nc1ncc([O-])cc1Cl ZINC001189952263 1038239866 /nfs/dbraw/zinc/23/98/66/1038239866.db2.gz VSLNAZJFLKSEHP-UHFFFAOYSA-N -1 3 305.765 3.955 20 0 DHADHM O=C(Nc1cc([O-])cc(Cl)c1)Nc1cccc2nsnc21 ZINC001190311044 1038292132 /nfs/dbraw/zinc/29/21/32/1038292132.db2.gz HYJNUGAISBCLQT-UHFFFAOYSA-N -1 3 320.761 3.694 20 0 DHADHM [O-]c1cccc(CN2CCC(c3ccccn3)CC2)c1Cl ZINC000646065637 1038365276 /nfs/dbraw/zinc/36/52/76/1038365276.db2.gz ILZZSRWMCUAWCR-UHFFFAOYSA-N -1 3 302.805 3.820 20 0 DHADHM Cc1cccc(CNC(=O)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001190997819 1038424191 /nfs/dbraw/zinc/42/41/91/1038424191.db2.gz AZRTYGIPCPOTBN-UHFFFAOYSA-N -1 3 304.777 3.984 20 0 DHADHM CC[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609481 1038473446 /nfs/dbraw/zinc/47/34/46/1038473446.db2.gz RCKPPIZUPUBBKA-NOZJJQNGSA-N -1 3 302.201 3.851 20 0 DHADHM C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC=CCC1 ZINC001191220190 1038470201 /nfs/dbraw/zinc/47/02/01/1038470201.db2.gz GFRDDEMFQFDYFC-ZDUSSCGKSA-N -1 3 320.241 3.771 20 0 DHADHM COc1cc(C)c(C(=O)Nc2cc([O-])cc(Cl)c2)cc1OC ZINC001191700405 1038535425 /nfs/dbraw/zinc/53/54/25/1038535425.db2.gz JMROZDOGBWEWBB-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCCCCCNC(=O)Nc1ccc([O-])c(Br)c1 ZINC001191972531 1038576609 /nfs/dbraw/zinc/57/66/09/1038576609.db2.gz IKXUAEQEDNCQLU-UHFFFAOYSA-N -1 3 315.211 3.857 20 0 DHADHM CC(C)c1nnc([N-]c2cccc(OCC(F)(F)F)c2)o1 ZINC001212162728 1038608779 /nfs/dbraw/zinc/60/87/79/1038608779.db2.gz XRKSJHUGSYLJFQ-UHFFFAOYSA-N -1 3 301.268 3.878 20 0 DHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000669356310 1038621425 /nfs/dbraw/zinc/62/14/25/1038621425.db2.gz XIVHRIPEUYMNLD-YVEFUNNKSA-N -1 3 313.422 3.947 20 0 DHADHM CC(C)(C)c1ccc(C(=O)Nc2cccc3nccn32)c([O-])c1 ZINC001192315156 1038625953 /nfs/dbraw/zinc/62/59/53/1038625953.db2.gz YGDAPOGDGNLLEX-UHFFFAOYSA-N -1 3 309.369 3.590 20 0 DHADHM CC(C)(C)c1ccc(C(=O)NC2CC3(C2)CC(F)(F)C3)c([O-])c1 ZINC001192335930 1038628825 /nfs/dbraw/zinc/62/88/25/1038628825.db2.gz PCVZQHPCCZGQHI-UHFFFAOYSA-N -1 3 323.383 3.997 20 0 DHADHM Cc1cc2c(cn1)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001192339347 1038633378 /nfs/dbraw/zinc/63/33/78/1038633378.db2.gz DCYVTISXMIWGDS-KRWDZBQOSA-N -1 3 324.424 3.810 20 0 DHADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)C1 ZINC001192338218 1038633697 /nfs/dbraw/zinc/63/36/97/1038633697.db2.gz YUSAIPJFOSIVHI-UWVGGRQHSA-N -1 3 321.895 3.752 20 0 DHADHM O=C([N-]c1cc(F)ccc1Oc1ccccc1)c1cccc[n+]1[O-] ZINC000057688214 1038715899 /nfs/dbraw/zinc/71/58/99/1038715899.db2.gz DZUJDLYOHDSMED-UHFFFAOYSA-N -1 3 324.311 3.504 20 0 DHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CC2)CC1 ZINC000599114516 1039049946 /nfs/dbraw/zinc/04/99/46/1039049946.db2.gz DZSIVXRTTFPBBS-UHFFFAOYSA-N -1 3 321.420 3.999 20 0 DHADHM C[C@@H](CSCCNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000592460369 1039208726 /nfs/dbraw/zinc/20/87/26/1039208726.db2.gz DMMBXWYPZUTVOO-VIFPVBQESA-N -1 3 322.257 3.537 20 0 DHADHM O=C(OCc1csc(Br)c1)c1ccc([O-])cc1 ZINC000058651230 1039430187 /nfs/dbraw/zinc/43/01/87/1039430187.db2.gz GSDAFWCEQHMSGQ-UHFFFAOYSA-N -1 3 313.172 3.573 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1 ZINC000604605584 1039505603 /nfs/dbraw/zinc/50/56/03/1039505603.db2.gz ICRWIRCGKZPABN-YOEHRIQHSA-N -1 3 309.409 3.973 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1 ZINC000605026046 1039608841 /nfs/dbraw/zinc/60/88/41/1039608841.db2.gz XDPDNWWRJFAYFJ-UHFFFAOYSA-N -1 3 309.369 3.884 20 0 DHADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000594848320 1039914528 /nfs/dbraw/zinc/91/45/28/1039914528.db2.gz XFCXDUPAQVIIJN-UHFFFAOYSA-N -1 3 312.152 3.960 20 0 DHADHM Cc1ccc(CCC(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000606536887 1039921263 /nfs/dbraw/zinc/92/12/63/1039921263.db2.gz VPFGKAWTEAHGIL-UHFFFAOYSA-N -1 3 321.779 3.742 20 0 DHADHM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606669555 1039946712 /nfs/dbraw/zinc/94/67/12/1039946712.db2.gz XRKJIJXTWNNVFQ-DZGCQCFKSA-N -1 3 308.397 3.689 20 0 DHADHM C[C@H]1CCC[C@@H](CCNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000606692541 1039958812 /nfs/dbraw/zinc/95/88/12/1039958812.db2.gz XKKWCUJMLYOIFJ-STQMWFEESA-N -1 3 308.397 3.547 20 0 DHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC2(CCCCC2)CC1 ZINC000606714566 1039961135 /nfs/dbraw/zinc/96/11/35/1039961135.db2.gz GTUJHOKEIUNWIC-UHFFFAOYSA-N -1 3 320.408 3.787 20 0 DHADHM CC[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)CC(F)F ZINC000596365781 1040419511 /nfs/dbraw/zinc/41/95/11/1040419511.db2.gz KOYNEFBXXRATMS-VIFPVBQESA-N -1 3 302.390 3.974 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1 ZINC000608955600 1040659021 /nfs/dbraw/zinc/65/90/21/1040659021.db2.gz CSCAKIOPNFCZCW-UHFFFAOYSA-N -1 3 321.467 3.913 20 0 DHADHM O=C(COCC1CCCC1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000455983063 1040672534 /nfs/dbraw/zinc/67/25/34/1040672534.db2.gz APKBGUPAELHHRO-UHFFFAOYSA-N -1 3 317.307 3.556 20 0 DHADHM Cc1ccc2c(CCC(=O)Nc3cccc([O-])c3F)c[nH]c2c1 ZINC000534208576 1040747432 /nfs/dbraw/zinc/74/74/32/1040747432.db2.gz IWIYFJMLBKINQA-UHFFFAOYSA-N -1 3 312.344 3.892 20 0 DHADHM CC(C)[C@@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000457151389 1041031375 /nfs/dbraw/zinc/03/13/75/1041031375.db2.gz VZWIWHMTGUSAMY-KRWDZBQOSA-N -1 3 305.393 3.501 20 0 DHADHM O=C(Nc1ccccc1[O-])c1cnc(Cc2ccccc2)s1 ZINC000088281104 185244765 /nfs/dbraw/zinc/24/47/65/185244765.db2.gz PFXXZIBEGRMVCP-UHFFFAOYSA-N -1 3 310.378 3.692 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417558400 334974846 /nfs/dbraw/zinc/97/48/46/334974846.db2.gz FJFNCPSWMBZOED-HZMBPMFUSA-N -1 3 309.818 3.953 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C ZINC000003581381 181036853 /nfs/dbraw/zinc/03/68/53/181036853.db2.gz GIRIJYPWYBZIJP-UHFFFAOYSA-N -1 3 315.316 3.522 20 0 DHADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000188640957 200279735 /nfs/dbraw/zinc/27/97/35/200279735.db2.gz ZBMUGVYIZXQJIJ-UHFFFAOYSA-N -1 3 322.434 3.583 20 0 DHADHM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1csc(Cl)c1Cl ZINC000417569065 334989707 /nfs/dbraw/zinc/98/97/07/334989707.db2.gz CDROQFIXEBCKGZ-PRHODGIISA-N -1 3 308.230 3.788 20 0 DHADHM C[C@H](C(=O)[O-])[C@@H](NCc1sccc1Cl)c1ccccc1 ZINC000417571174 334993851 /nfs/dbraw/zinc/99/38/51/334993851.db2.gz XDBAAWCHTQOFQM-IINYFYTJSA-N -1 3 309.818 3.953 20 0 DHADHM O=C([O-])[C@@H](CCc1ccccc1)NCc1ccsc1Cl ZINC000417600457 335002962 /nfs/dbraw/zinc/00/29/62/335002962.db2.gz JLTKJVKNBKGFKT-CYBMUJFWSA-N -1 3 309.818 3.577 20 0 DHADHM C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccccc2)cc1F ZINC000417614976 335008493 /nfs/dbraw/zinc/00/84/93/335008493.db2.gz SVYIILLUXQXMCJ-CYBMUJFWSA-N -1 3 301.361 3.836 20 0 DHADHM CCN(Cc1ccccn1)Cc1cc([O-])ccc1Br ZINC000093338888 193234703 /nfs/dbraw/zinc/23/47/03/193234703.db2.gz IIDBRDDNJJBXBN-UHFFFAOYSA-N -1 3 321.218 3.572 20 0 DHADHM CCOc1c(Cl)cccc1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC000417620501 335014236 /nfs/dbraw/zinc/01/42/36/335014236.db2.gz GHBHZNMYJBKMBV-CYBMUJFWSA-N -1 3 313.825 3.575 20 0 DHADHM CC(C)c1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000417624800 335015398 /nfs/dbraw/zinc/01/53/98/335015398.db2.gz LBZVCIQFUKPLSI-CYBMUJFWSA-N -1 3 303.324 3.553 20 0 DHADHM CC[C@H]1CCc2nc([N-]C(=O)c3ncc(F)cc3F)sc2C1 ZINC000192195678 335027407 /nfs/dbraw/zinc/02/74/07/335027407.db2.gz UMWGWFGNTUMFKR-QMMMGPOBSA-N -1 3 323.368 3.584 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1csc(Cl)c1Cl ZINC000417699214 335063185 /nfs/dbraw/zinc/06/31/85/335063185.db2.gz GUOGFKXJGSDBEK-VIFPVBQESA-N -1 3 308.230 3.788 20 0 DHADHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000273642474 130148673 /nfs/dbraw/zinc/14/86/73/130148673.db2.gz VFWNYDCLWDCLSW-UHFFFAOYSA-N -1 3 314.320 3.518 20 0 DHADHM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])C1(C)C ZINC000273882425 130181885 /nfs/dbraw/zinc/18/18/85/130181885.db2.gz QPPQGAQOCGQISP-YPMHNXCESA-N -1 3 323.820 3.934 20 0 DHADHM Cc1cc(-c2ncccc2NC([O-])=NOCC(C)C)cs1 ZINC000275495022 130327267 /nfs/dbraw/zinc/32/72/67/130327267.db2.gz BXNXXIWFFSYCKI-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM Cc1cc(-c2ncccc2NC(=O)[N-]OCC(C)C)cs1 ZINC000275495022 130327269 /nfs/dbraw/zinc/32/72/69/130327269.db2.gz BXNXXIWFFSYCKI-UHFFFAOYSA-N -1 3 305.403 3.828 20 0 DHADHM O=C(NCCOC1CCCCCC1)c1cc([O-])ccc1Cl ZINC000277357430 130604566 /nfs/dbraw/zinc/60/45/66/130604566.db2.gz FNFHNMWZDLLUPO-UHFFFAOYSA-N -1 3 311.809 3.515 20 0 DHADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)c1c[nH]c2ccccc21 ZINC000278445495 130692804 /nfs/dbraw/zinc/69/28/04/130692804.db2.gz VFCTWKOXTZQXTE-SNVBAGLBSA-N -1 3 314.307 3.662 20 0 DHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)[C@@H]2c2cccs2)n1 ZINC000287095487 131263853 /nfs/dbraw/zinc/26/38/53/131263853.db2.gz XLZVADQAKQSLLJ-RISCZKNCSA-N -1 3 303.431 3.696 20 0 DHADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccnc1 ZINC000340312231 131373627 /nfs/dbraw/zinc/37/36/27/131373627.db2.gz KIUMJHAFNFGYRO-JTQLQIEISA-N -1 3 324.302 3.938 20 0 DHADHM COCC1(c2noc(/C=C/c3cccc([O-])c3)n2)CCCCC1 ZINC000290139792 131456793 /nfs/dbraw/zinc/45/67/93/131456793.db2.gz ORMDMYGHLYZRRX-CMDGGOBGSA-N -1 3 314.385 3.794 20 0 DHADHM Cc1cccc(Oc2ccc(NC([O-])=NOC(C)C)cn2)c1C ZINC000296843783 131988710 /nfs/dbraw/zinc/98/87/10/131988710.db2.gz LVSNLXKYTKUUQW-UHFFFAOYSA-N -1 3 315.373 3.952 20 0 DHADHM Cc1cccc(Oc2ccc(NC(=O)[N-]OC(C)C)cn2)c1C ZINC000296843783 131988712 /nfs/dbraw/zinc/98/87/12/131988712.db2.gz LVSNLXKYTKUUQW-UHFFFAOYSA-N -1 3 315.373 3.952 20 0 DHADHM Cc1nc(NC([O-])=NOC(C)C)sc1Cc1ccccc1F ZINC000297229613 132005486 /nfs/dbraw/zinc/00/54/86/132005486.db2.gz WUUJQQAISHJXMV-UHFFFAOYSA-N -1 3 323.393 3.643 20 0 DHADHM Cc1nc(NC(=O)[N-]OC(C)C)sc1Cc1ccccc1F ZINC000297229613 132005488 /nfs/dbraw/zinc/00/54/88/132005488.db2.gz WUUJQQAISHJXMV-UHFFFAOYSA-N -1 3 323.393 3.643 20 0 DHADHM Cc1cc(Cl)c(NC([O-])=NOCCC(F)(F)F)cc1C ZINC000297532873 132021120 /nfs/dbraw/zinc/02/11/20/132021120.db2.gz XAEXOWVCQXWZAM-UHFFFAOYSA-N -1 3 310.703 3.962 20 0 DHADHM Cc1cc(Cl)c(NC(=O)[N-]OCCC(F)(F)F)cc1C ZINC000297532873 132021121 /nfs/dbraw/zinc/02/11/21/132021121.db2.gz XAEXOWVCQXWZAM-UHFFFAOYSA-N -1 3 310.703 3.962 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1cc(C(F)(F)F)ccc1F ZINC000417701999 335065820 /nfs/dbraw/zinc/06/58/20/335065820.db2.gz KALFSNICWBELGB-ZDUSSCGKSA-N -1 3 319.298 3.578 20 0 DHADHM O=C([O-])[C@H](CC1CCC1)NCc1cccc(Cl)c1Cl ZINC000417712490 335067698 /nfs/dbraw/zinc/06/76/98/335067698.db2.gz XEKITWUBZHUHCN-LBPRGKRZSA-N -1 3 302.201 3.726 20 0 DHADHM COc1cccc(-c2nc(Cc3cc(C)cc(C)c3)no2)c1[O-] ZINC000320544493 335079482 /nfs/dbraw/zinc/07/94/82/335079482.db2.gz DSQNXTSXWLERKL-UHFFFAOYSA-N -1 3 310.353 3.658 20 0 DHADHM CC(C)(C)Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)n[nH]1 ZINC000509109979 429355233 /nfs/dbraw/zinc/35/52/33/429355233.db2.gz KABHYQHBOHEMFP-UHFFFAOYSA-N -1 3 321.808 3.539 20 0 DHADHM Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)c([O-])c1 ZINC000170892121 332894750 /nfs/dbraw/zinc/89/47/50/332894750.db2.gz ZBMPUKMJJIYAQR-UHFFFAOYSA-N -1 3 300.339 3.669 20 0 DHADHM CCOc1c(F)cccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000175613758 332898894 /nfs/dbraw/zinc/89/88/94/332898894.db2.gz WDTQSAUDFQDMDC-UHFFFAOYSA-N -1 3 309.724 3.836 20 0 DHADHM CC(C)c1cc(C(=O)N(CCO)C2CCC2)c([O-])c(C(C)C)c1 ZINC000332424370 331468286 /nfs/dbraw/zinc/46/82/86/331468286.db2.gz GYVYPWJKHDELAL-UHFFFAOYSA-N -1 3 319.445 3.626 20 0 DHADHM COc1ccc([O-])c(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c1 ZINC000108984202 331495913 /nfs/dbraw/zinc/49/59/13/331495913.db2.gz HBPRLURAFZIUKV-UHFFFAOYSA-N -1 3 324.336 3.617 20 0 DHADHM CC(C)[C@H]1C[C@@](NCc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC000556322599 331664200 /nfs/dbraw/zinc/66/42/00/331664200.db2.gz SYNXDKHFQSXAHP-XLIONFOSSA-N -1 3 309.409 3.900 20 0 DHADHM CCc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1[O-] ZINC000530959868 331686580 /nfs/dbraw/zinc/68/65/80/331686580.db2.gz SGNRZQZSMARWOD-UHFFFAOYSA-N -1 3 324.384 3.533 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)s1 ZINC000530959894 331686614 /nfs/dbraw/zinc/68/66/14/331686614.db2.gz CRKCJXOOBKWQRK-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)ccc1[O-] ZINC000276169796 331719768 /nfs/dbraw/zinc/71/97/68/331719768.db2.gz HBPNBOSYMHNYDF-LBPRGKRZSA-N -1 3 301.308 3.504 20 0 DHADHM CCCCN(CC(F)(F)F)C(=O)c1cccc(CC)c1[O-] ZINC000556950215 331757808 /nfs/dbraw/zinc/75/78/08/331757808.db2.gz QYXUUPVALIHVIE-UHFFFAOYSA-N -1 3 303.324 3.759 20 0 DHADHM CCCc1cccc(CN[C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426765524 331759004 /nfs/dbraw/zinc/75/90/04/331759004.db2.gz PGYCPIGFLMUYDP-SFHVURJKSA-N -1 3 313.397 3.563 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255619737 331779862 /nfs/dbraw/zinc/77/98/62/331779862.db2.gz AEEVZWSKLKJVQV-MEJMFZKBSA-N -1 3 322.364 3.766 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1nc2ccccc2cc1Cl ZINC000558542581 331920261 /nfs/dbraw/zinc/92/02/61/331920261.db2.gz QQSDBIBHFFFZEU-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM F[C@@H](CC1CCCCC1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558891720 331955466 /nfs/dbraw/zinc/95/54/66/331955466.db2.gz DPLGEZGIGJWNLL-LBPRGKRZSA-N -1 3 315.352 3.989 20 0 DHADHM Cc1c([O-])ccc2c(CSC3=N[C@H](C)CS3)cc(=O)oc12 ZINC000089522204 332071407 /nfs/dbraw/zinc/07/14/07/332071407.db2.gz YLFSDFHQAVORPM-MRVPVSSYSA-N -1 3 321.423 3.532 20 0 DHADHM CC(=O)c1cccc(NC(=O)C2(c3ccccc3C)CC2)c1[O-] ZINC000569489967 332101750 /nfs/dbraw/zinc/10/17/50/332101750.db2.gz YJYVMRIADCYZNP-UHFFFAOYSA-N -1 3 309.365 3.574 20 0 DHADHM O=C([O-])[C@@H](NCc1csc2ccccc12)c1ccc(F)cc1 ZINC000426776218 332123879 /nfs/dbraw/zinc/12/38/79/332123879.db2.gz XEQJYNPBYWJZFW-INIZCTEOSA-N -1 3 315.369 3.956 20 0 DHADHM CCSc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426784747 332153111 /nfs/dbraw/zinc/15/31/11/332153111.db2.gz NOTHOVKXWJJTMO-INIZCTEOSA-N -1 3 319.401 3.853 20 0 DHADHM CC(C)(C)C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426798880 332155138 /nfs/dbraw/zinc/15/51/38/332155138.db2.gz GNVIIMOKBNOCTR-LBPRGKRZSA-N -1 3 304.217 3.972 20 0 DHADHM CCc1ccc([C@@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426805640 332155743 /nfs/dbraw/zinc/15/57/43/332155743.db2.gz DIZCNJKEAFLJKA-OAJJDEHYSA-N -1 3 313.372 3.817 20 0 DHADHM CC(C)(C)c1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426830986 332156234 /nfs/dbraw/zinc/15/62/34/332156234.db2.gz CGZFLPMKVLMIAP-HNNXBMFYSA-N -1 3 303.427 3.961 20 0 DHADHM CCC[C@@H](C)C[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426816790 332157258 /nfs/dbraw/zinc/15/72/58/332157258.db2.gz QMWFRXVEXROOHZ-YGRLFVJLSA-N -1 3 301.789 3.848 20 0 DHADHM CCCSC[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426820820 332157516 /nfs/dbraw/zinc/15/75/16/332157516.db2.gz NNNFESLVSRLJBS-GFCCVEGCSA-N -1 3 322.257 3.679 20 0 DHADHM COc1cc(Cl)c(CN[C@H](CC(=O)[O-])C(C)C)cc1Cl ZINC000426825250 332158304 /nfs/dbraw/zinc/15/83/04/332158304.db2.gz ADXCMFIEQLXCLH-GFCCVEGCSA-N -1 3 320.216 3.591 20 0 DHADHM Cc1csc(C2(NC(=O)c3cc(C)ccc3[O-])CCCC2)n1 ZINC000533871305 332226550 /nfs/dbraw/zinc/22/65/50/332226550.db2.gz FCBSQYBPWTVGEG-UHFFFAOYSA-N -1 3 316.426 3.665 20 0 DHADHM O=C(C[C@H]1CCOc2ccccc21)Nc1c([O-])cccc1Cl ZINC000560821570 332388688 /nfs/dbraw/zinc/38/86/88/332388688.db2.gz HBZDHOCKSNUBSY-LLVKDONJSA-N -1 3 317.772 3.941 20 0 DHADHM O=C([O-])CCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000261610802 332390504 /nfs/dbraw/zinc/39/05/04/332390504.db2.gz DVNDTJQZHFJIMO-UHFFFAOYSA-N -1 3 316.382 3.511 20 0 DHADHM [O-]c1ccc(CCCc2nc(-c3cccs3)no2)cc1F ZINC000527296480 332567610 /nfs/dbraw/zinc/56/76/10/332567610.db2.gz FGYODHIUIZQUON-UHFFFAOYSA-N -1 3 304.346 3.818 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2OCC(F)F)c([O-])c1 ZINC000151847245 332624360 /nfs/dbraw/zinc/62/43/60/332624360.db2.gz QVRLEWBUMWPXPS-UHFFFAOYSA-N -1 3 307.296 3.597 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000302933360 332642190 /nfs/dbraw/zinc/64/21/90/332642190.db2.gz GQOZMDGNOUDPRU-UHFFFAOYSA-N -1 3 324.302 3.729 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCCCC1 ZINC000448731635 332690465 /nfs/dbraw/zinc/69/04/65/332690465.db2.gz IZQNIGPKROQFCF-INIZCTEOSA-N -1 3 305.393 3.645 20 0 DHADHM COc1ccccc1CCN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000580201967 333003909 /nfs/dbraw/zinc/00/39/09/333003909.db2.gz LPCRVVOUTKGUOI-ZDUSSCGKSA-N -1 3 317.385 3.530 20 0 DHADHM COc1cc(/C=C(\C)c2cnccn2)cc(Br)c1[O-] ZINC000180381861 333027624 /nfs/dbraw/zinc/02/76/24/333027624.db2.gz HSLAYBOKHDDSPZ-WEVVVXLNSA-N -1 3 321.174 3.514 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(F)c1 ZINC000460447231 333088557 /nfs/dbraw/zinc/08/85/57/333088557.db2.gz UOWJTLMVKFSIKK-UHFFFAOYSA-N -1 3 311.353 3.691 20 0 DHADHM Cc1cc(O)c(C(C)C)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000182144489 333149866 /nfs/dbraw/zinc/14/98/66/333149866.db2.gz SXKKQSVGIHSKPY-SNAWJCMRSA-N -1 3 312.369 3.577 20 0 DHADHM CCc1cccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1[O-] ZINC000582022447 333168262 /nfs/dbraw/zinc/16/82/62/333168262.db2.gz PRSHYPLSRPLEAK-HNNXBMFYSA-N -1 3 311.381 3.711 20 0 DHADHM O=C([O-])C1(CN(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000518782982 333208473 /nfs/dbraw/zinc/20/84/73/333208473.db2.gz ULSFKGXYWCDDCG-UHFFFAOYSA-N -1 3 309.356 3.574 20 0 DHADHM CCSc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000582101796 333223039 /nfs/dbraw/zinc/22/30/39/333223039.db2.gz WULDLPJGBACNIF-UHFFFAOYSA-N -1 3 300.358 3.841 20 0 DHADHM CCN(CC)C(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184132883 333342230 /nfs/dbraw/zinc/34/22/30/333342230.db2.gz QKVZDKLZDZEACO-UHFFFAOYSA-N -1 3 316.376 3.625 20 0 DHADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000531313066 333343541 /nfs/dbraw/zinc/34/35/41/333343541.db2.gz AACNXKNKXGMIIB-MRVPVSSYSA-N -1 3 311.168 3.836 20 0 DHADHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)c(Cl)c1 ZINC000188402607 333365873 /nfs/dbraw/zinc/36/58/73/333365873.db2.gz GZHKOVPCMYDFPA-UHFFFAOYSA-N -1 3 312.760 3.686 20 0 DHADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184926085 333368311 /nfs/dbraw/zinc/36/83/11/333368311.db2.gz NRSLSRFBXJKLIC-SFHVURJKSA-N -1 3 324.424 3.587 20 0 DHADHM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184926103 333368402 /nfs/dbraw/zinc/36/84/02/333368402.db2.gz NRSLSRFBXJKLIC-GOSISDBHSA-N -1 3 324.424 3.587 20 0 DHADHM COc1ccc2[nH]c(C(=O)Nc3ccc(Cl)cc3[O-])cc2c1 ZINC000188647902 333383547 /nfs/dbraw/zinc/38/35/47/333383547.db2.gz CUWNIJWMVPDMNY-UHFFFAOYSA-N -1 3 316.744 3.788 20 0 DHADHM CSc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c([O-])c1 ZINC000365578915 333410600 /nfs/dbraw/zinc/41/06/00/333410600.db2.gz LBPDGEXSWLMPEO-CYBMUJFWSA-N -1 3 303.383 3.684 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])oc1CC ZINC000563197055 333463174 /nfs/dbraw/zinc/46/31/74/333463174.db2.gz ZNSVNNGZXSINHF-UHFFFAOYSA-N -1 3 301.342 3.565 20 0 DHADHM C[C@@H](CCCNCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC000426642668 333511219 /nfs/dbraw/zinc/51/12/19/333511219.db2.gz KIAVZZVCMBMZAT-NSHDSACASA-N -1 3 323.339 3.815 20 0 DHADHM CC[C@H](CNCc1ccc(Oc2ccccc2)o1)CC(=O)[O-] ZINC000426636746 333511846 /nfs/dbraw/zinc/51/18/46/333511846.db2.gz IFDNUBFKJRUUDL-ZDUSSCGKSA-N -1 3 303.358 3.662 20 0 DHADHM C[C@@H](CC(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000412283370 333744009 /nfs/dbraw/zinc/74/40/09/333744009.db2.gz XKGGKVMJKUSBGG-LURJTMIESA-N -1 3 313.222 3.521 20 0 DHADHM CCCc1ncc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000186341020 335157316 /nfs/dbraw/zinc/15/73/16/335157316.db2.gz ZBKRMBNCBFVAFN-NSHDSACASA-N -1 3 316.426 3.955 20 0 DHADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000266163383 333971298 /nfs/dbraw/zinc/97/12/98/333971298.db2.gz PRWMUWSBINNDOG-HOCLYGCPSA-N -1 3 310.397 3.639 20 0 DHADHM CSCCc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000436854463 334008834 /nfs/dbraw/zinc/00/88/34/334008834.db2.gz SJVKZKGOQPJEHU-UHFFFAOYSA-N -1 3 301.411 3.858 20 0 DHADHM CC(=O)c1cc(F)c([N-]C(=O)c2c(C)coc2C)c(F)c1F ZINC000343536652 335170464 /nfs/dbraw/zinc/17/04/64/335170464.db2.gz LIRMPMHMTYSCMY-UHFFFAOYSA-N -1 3 311.259 3.769 20 0 DHADHM [O-]c1ccc(-c2noc(CCSCc3ccccc3)n2)cc1 ZINC000436867545 334013401 /nfs/dbraw/zinc/01/34/01/334013401.db2.gz CTTILUONBWNYLK-UHFFFAOYSA-N -1 3 312.394 3.918 20 0 DHADHM [O-]c1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1Cl ZINC000414599465 334034815 /nfs/dbraw/zinc/03/48/15/334034815.db2.gz ZNWFVSARHXITLB-CQSZACIVSA-N -1 3 320.795 3.553 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@H]2CCCO2)no1 ZINC000273772628 334051155 /nfs/dbraw/zinc/05/11/55/334051155.db2.gz BRROGDFPCQFMTN-QGZVFWFLSA-N -1 3 322.364 3.885 20 0 DHADHM Cc1ccoc1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000343584881 335179497 /nfs/dbraw/zinc/17/94/97/335179497.db2.gz COXZSADVRGJWOE-UHFFFAOYSA-N -1 3 321.789 3.623 20 0 DHADHM O=S(=O)(CCCCF)[N-]c1ccc(-c2ccco2)cc1F ZINC000295247954 334221363 /nfs/dbraw/zinc/22/13/63/334221363.db2.gz WCFQSYZEEQLBSV-UHFFFAOYSA-N -1 3 315.341 3.577 20 0 DHADHM Cc1nc2c(s1)[C@H](N(C)Cc1c(F)ccc([O-])c1F)CCC2 ZINC000295462301 334223519 /nfs/dbraw/zinc/22/35/19/334223519.db2.gz WAFHBYQZDHNNAR-CYBMUJFWSA-N -1 3 324.396 3.945 20 0 DHADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)cnc2Cl)on1 ZINC000297707022 334243587 /nfs/dbraw/zinc/24/35/87/334243587.db2.gz KIOAWCUDBACZPZ-UHFFFAOYSA-N -1 3 300.145 3.752 20 0 DHADHM CCSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000048681205 334296912 /nfs/dbraw/zinc/29/69/12/334296912.db2.gz RCDUSIXFBFOCKW-UHFFFAOYSA-N -1 3 302.424 3.905 20 0 DHADHM Cc1ccc(SCCC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000534703682 334328497 /nfs/dbraw/zinc/32/84/97/334328497.db2.gz BWPAPOPEWVJDTI-UHFFFAOYSA-N -1 3 305.374 3.961 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(F)cc1F ZINC000534706233 334328931 /nfs/dbraw/zinc/32/89/31/334328931.db2.gz SZRQRLXDWCKDDI-UHFFFAOYSA-N -1 3 301.651 3.715 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000534821041 334340064 /nfs/dbraw/zinc/34/00/64/334340064.db2.gz RJXLMHHKMZBZOJ-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000534821041 334340066 /nfs/dbraw/zinc/34/00/66/334340066.db2.gz RJXLMHHKMZBZOJ-UHFFFAOYSA-N -1 3 317.295 3.767 20 0 DHADHM O=C(C[C@H]1CCCN1Cc1cc([O-])cc(F)c1)c1ccccc1 ZINC000187897476 334349740 /nfs/dbraw/zinc/34/97/40/334349740.db2.gz PWMBSHWIWRMLJM-QGZVFWFLSA-N -1 3 313.372 3.769 20 0 DHADHM Cc1nc([C@H]2CCCO2)sc1C(=O)[N-]c1c(F)cccc1F ZINC000340947203 334395818 /nfs/dbraw/zinc/39/58/18/334395818.db2.gz IMIKYLHNQOLPJI-LLVKDONJSA-N -1 3 324.352 3.834 20 0 DHADHM Cc1ccc(-c2nc(C[S@@](=O)c3ccc([O-])cc3)co2)cc1 ZINC000341742383 334475923 /nfs/dbraw/zinc/47/59/23/334475923.db2.gz JQZGLYKKLGEWBQ-JOCHJYFZSA-N -1 3 313.378 3.663 20 0 DHADHM O=[S@](Cc1sccc1Br)c1ccc([O-])cc1 ZINC000341749523 334476461 /nfs/dbraw/zinc/47/64/61/334476461.db2.gz VDDXVVGRTOATEE-MRXNPFEDSA-N -1 3 317.229 3.524 20 0 DHADHM O=C(Nc1ncccc1[O-])c1c[nH]cc1-c1ccc(Cl)s1 ZINC000341883325 334489382 /nfs/dbraw/zinc/48/93/82/334489382.db2.gz DTSCCWYDZPYKNP-UHFFFAOYSA-N -1 3 319.773 3.750 20 0 DHADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])[C@@H](C)[C@H]1C ZINC000416318453 334662976 /nfs/dbraw/zinc/66/29/76/334662976.db2.gz FSRDLPORJDHLIP-ILXRZTDVSA-N -1 3 311.425 3.981 20 0 DHADHM CCc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)c([O-])c1 ZINC000188251649 334670838 /nfs/dbraw/zinc/67/08/38/334670838.db2.gz VNCONHAWXOFPQE-UHFFFAOYSA-N -1 3 312.413 3.577 20 0 DHADHM CC(C)C(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000417031959 334689509 /nfs/dbraw/zinc/68/95/09/334689509.db2.gz HELPKFSNJNLYKV-UHFFFAOYSA-N -1 3 311.385 3.510 20 0 DHADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)C(F)(F)F ZINC000443946787 338464070 /nfs/dbraw/zinc/46/40/70/338464070.db2.gz ZDEKHYRZDISSJA-ZWNOBZJWSA-N -1 3 323.380 3.559 20 0 DHADHM COc1ccc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])c(F)c1 ZINC000444256391 338470499 /nfs/dbraw/zinc/47/04/99/338470499.db2.gz LBOYPVGVRJCNDF-UHFFFAOYSA-N -1 3 323.751 3.683 20 0 DHADHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)CC2CCC2)n1 ZINC000344365897 335244818 /nfs/dbraw/zinc/24/48/18/335244818.db2.gz MVJZBXFZPRTGIZ-UHFFFAOYSA-N -1 3 311.429 3.547 20 0 DHADHM C[C@H]1Cc2ccccc2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344760158 335275820 /nfs/dbraw/zinc/27/58/20/335275820.db2.gz RTKKXSBTEXQTOK-ZDUSSCGKSA-N -1 3 313.372 3.832 20 0 DHADHM CC(=O)c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000344795020 335277986 /nfs/dbraw/zinc/27/79/86/335277986.db2.gz YRUDTUOKERCKIO-UHFFFAOYSA-N -1 3 315.344 3.695 20 0 DHADHM COc1cccc2c1n[n-]c2C(=O)Nc1ccc(SC)cc1 ZINC000345182755 335305753 /nfs/dbraw/zinc/30/57/53/335305753.db2.gz UWDXBRSZQNNRQK-UHFFFAOYSA-N -1 3 313.382 3.546 20 0 DHADHM COc1cccc2c(C(=O)Nc3ccc(SC)cc3)n[n-]c21 ZINC000345182755 335305755 /nfs/dbraw/zinc/30/57/55/335305755.db2.gz UWDXBRSZQNNRQK-UHFFFAOYSA-N -1 3 313.382 3.546 20 0 DHADHM C[C@H]1CCN(C(=O)CSCC(F)(F)F)c2c([O-])cccc21 ZINC000345169149 335308703 /nfs/dbraw/zinc/30/87/03/335308703.db2.gz VWNYIPRMEPJNDU-VIFPVBQESA-N -1 3 319.348 3.528 20 0 DHADHM Cc1noc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)c1C ZINC000345285651 335313748 /nfs/dbraw/zinc/31/37/48/335313748.db2.gz LTZPSIOKQYYNOI-UHFFFAOYSA-N -1 3 317.732 3.852 20 0 DHADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1cc(C2CC2)no1 ZINC000366899615 335322573 /nfs/dbraw/zinc/32/25/73/335322573.db2.gz FLJCXUGHFLSLRF-UHFFFAOYSA-N -1 3 313.288 3.598 20 0 DHADHM Cc1ccc([O-])c(NC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000345926230 335361181 /nfs/dbraw/zinc/36/11/81/335361181.db2.gz AMGFZHSJEBLNJD-UHFFFAOYSA-N -1 3 311.168 3.584 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000345974129 335361445 /nfs/dbraw/zinc/36/14/45/335361445.db2.gz FNWOUHLJBHTFPA-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM Cc1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC000345939127 335362600 /nfs/dbraw/zinc/36/26/00/335362600.db2.gz YUMFICOHTHGUBZ-UHFFFAOYSA-N -1 3 315.131 3.794 20 0 DHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2cccc(F)c21 ZINC000345953040 335363431 /nfs/dbraw/zinc/36/34/31/335363431.db2.gz MPHRWGJVUVPZKB-UHFFFAOYSA-N -1 3 317.335 3.582 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2[n-]1 ZINC000346153215 335382553 /nfs/dbraw/zinc/38/25/53/335382553.db2.gz QPORGHYJTZZMMC-UHFFFAOYSA-N -1 3 320.352 3.695 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3ccc4[nH]ccc4c3)ccc2[n-]1 ZINC000346153215 335382555 /nfs/dbraw/zinc/38/25/55/335382555.db2.gz QPORGHYJTZZMMC-UHFFFAOYSA-N -1 3 320.352 3.695 20 0 DHADHM CC(C)c1cc(C(=O)N2CC[C@@H](O)C[C@@H]2C)c([O-])c(C(C)C)c1 ZINC000346713471 335434718 /nfs/dbraw/zinc/43/47/18/335434718.db2.gz GHOICQUSFKNGNZ-DZGCQCFKSA-N -1 3 319.445 3.624 20 0 DHADHM CCc1nc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)co1 ZINC000346782762 335440482 /nfs/dbraw/zinc/44/04/82/335440482.db2.gz QCCZMLPJBJCISY-UHFFFAOYSA-N -1 3 306.387 3.780 20 0 DHADHM Cc1cc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)ccn1 ZINC000347246424 335478161 /nfs/dbraw/zinc/47/81/61/335478161.db2.gz OWBDTEVLSBXZOG-UHFFFAOYSA-N -1 3 321.258 3.831 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)ccc1[O-] ZINC000347838399 335531682 /nfs/dbraw/zinc/53/16/82/335531682.db2.gz WZBYWBJOGLUKSC-ZDUSSCGKSA-N -1 3 317.335 3.609 20 0 DHADHM CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000348398958 335583934 /nfs/dbraw/zinc/58/39/34/335583934.db2.gz VFSKQFFDNLHLDM-LJQANCHMSA-N -1 3 320.392 3.655 20 0 DHADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000191174747 335628993 /nfs/dbraw/zinc/62/89/93/335628993.db2.gz GILAJILKVVGCEL-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)cc(OC)c1C ZINC000349438716 335671986 /nfs/dbraw/zinc/67/19/86/335671986.db2.gz WAHTWQAVTOBAJI-UHFFFAOYSA-N -1 3 321.760 3.624 20 0 DHADHM CCOc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1OC ZINC000349568833 335681576 /nfs/dbraw/zinc/68/15/76/335681576.db2.gz MZSZPQHEXAUWCI-LBPRGKRZSA-N -1 3 319.376 3.789 20 0 DHADHM O=S(=O)([N-]Cc1ccc2sccc2c1)c1ccccc1F ZINC000349808583 335702498 /nfs/dbraw/zinc/70/24/98/335702498.db2.gz HBMXXVVVTILCRU-UHFFFAOYSA-N -1 3 321.398 3.519 20 0 DHADHM Cc1ccccc1[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000350126269 335727472 /nfs/dbraw/zinc/72/74/72/335727472.db2.gz QPIDLNKATJHRRC-CYBMUJFWSA-N -1 3 304.415 3.674 20 0 DHADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1cnc2ccccc2c1 ZINC000350779242 335781597 /nfs/dbraw/zinc/78/15/97/335781597.db2.gz ALOVSXKLMPBBLB-ZDUSSCGKSA-N -1 3 322.364 3.655 20 0 DHADHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000519200997 335815894 /nfs/dbraw/zinc/81/58/94/335815894.db2.gz YECJEEQASSQRCP-UHFFFAOYSA-N -1 3 311.353 3.718 20 0 DHADHM CCc1cccc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)c1[O-] ZINC000536712250 335868430 /nfs/dbraw/zinc/86/84/30/335868430.db2.gz QEJHDZPDCZZEKG-AWEZNQCLSA-N -1 3 316.426 3.601 20 0 DHADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(F)c(F)c1 ZINC000102748709 335930351 /nfs/dbraw/zinc/93/03/51/335930351.db2.gz UPPZISWTEZXCRZ-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM [O-]c1ccc(F)c(CN2CCC[C@@H](c3nccs3)C2)c1F ZINC000351004116 336004124 /nfs/dbraw/zinc/00/41/24/336004124.db2.gz XBOVJRNXWJOVGZ-SNVBAGLBSA-N -1 3 310.369 3.507 20 0 DHADHM COc1cccc(-c2nc(-c3ccc4c(c3)CCC4)no2)c1[O-] ZINC000324168462 336098698 /nfs/dbraw/zinc/09/86/98/336098698.db2.gz VDXKOFFPOQAZRK-UHFFFAOYSA-N -1 3 308.337 3.607 20 0 DHADHM CC1(C)CCc2nc([N-]C(=O)c3ncc(F)cc3F)sc2C1 ZINC000332150721 336160433 /nfs/dbraw/zinc/16/04/33/336160433.db2.gz INJMITFOFIGURN-UHFFFAOYSA-N -1 3 323.368 3.584 20 0 DHADHM CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332336074 336168775 /nfs/dbraw/zinc/16/87/75/336168775.db2.gz QCHVPPPJDWXTRN-OCCSQVGLSA-N -1 3 321.808 3.759 20 0 DHADHM Cc1ccc(C2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)cn1 ZINC000332365749 336170134 /nfs/dbraw/zinc/17/01/34/336170134.db2.gz KOSASAIFQPRNMU-UHFFFAOYSA-N -1 3 324.424 3.732 20 0 DHADHM CC(C)N(Cc1cccnc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332485933 336172758 /nfs/dbraw/zinc/17/27/58/336172758.db2.gz WPASNEXGWJWYHZ-UHFFFAOYSA-N -1 3 324.424 3.717 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)COC3)c([O-])c1 ZINC000332649738 336177807 /nfs/dbraw/zinc/17/78/07/336177807.db2.gz UGAXMAURGHNOKR-UHFFFAOYSA-N -1 3 311.381 3.972 20 0 DHADHM COCCN(Cc1cc([O-])cc(F)c1)[C@@H](C)c1ccccc1 ZINC000352011583 336188662 /nfs/dbraw/zinc/18/86/62/336188662.db2.gz SRYCWKLGSONEFB-AWEZNQCLSA-N -1 3 303.377 3.741 20 0 DHADHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000192617722 336195962 /nfs/dbraw/zinc/19/59/62/336195962.db2.gz VBVUTHSMMMIZTJ-LLVKDONJSA-N -1 3 311.337 3.677 20 0 DHADHM COC1(c2noc(-c3ccc4c(c3[O-])CCCC4)n2)CCCC1 ZINC000333177836 336199363 /nfs/dbraw/zinc/19/93/63/336199363.db2.gz LVDQASWWSZWNRL-UHFFFAOYSA-N -1 3 314.385 3.737 20 0 DHADHM Cc1nc(CC(C)C)sc1C(=O)Nc1c(C)cccc1[O-] ZINC000352644168 336228305 /nfs/dbraw/zinc/22/83/05/336228305.db2.gz LSZFXCPORKLEHS-UHFFFAOYSA-N -1 3 304.415 3.916 20 0 DHADHM COCc1c2ccccc2oc1C(=O)Nc1c(C)cccc1[O-] ZINC000352653542 336228965 /nfs/dbraw/zinc/22/89/65/336228965.db2.gz VFRJQPLIJCGVTH-UHFFFAOYSA-N -1 3 311.337 3.846 20 0 DHADHM COC(=O)c1coc(C(=O)[N-]c2csc3ccccc23)c1 ZINC000352724261 336232556 /nfs/dbraw/zinc/23/25/56/336232556.db2.gz FXIXKWNLYMFTQG-UHFFFAOYSA-N -1 3 301.323 3.533 20 0 DHADHM CC(C)Cn1cc(NCc2cc([O-])cc(C(F)(F)F)c2)cn1 ZINC000352805962 336242176 /nfs/dbraw/zinc/24/21/76/336242176.db2.gz YTVHXJCRILREGS-UHFFFAOYSA-N -1 3 313.323 3.876 20 0 DHADHM O=C([O-])C[C@@H]1CCCN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000532710761 336267903 /nfs/dbraw/zinc/26/79/03/336267903.db2.gz FMDDYUXRJNVVQQ-LBPRGKRZSA-N -1 3 318.804 3.575 20 0 DHADHM O=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000532837835 336272745 /nfs/dbraw/zinc/27/27/45/336272745.db2.gz SHCRDEIYAHJVFT-UHFFFAOYSA-N -1 3 305.761 3.843 20 0 DHADHM Cc1ccc(C2CCN(Cc3c(F)ccc([O-])c3F)CC2)cn1 ZINC000352854389 336280513 /nfs/dbraw/zinc/28/05/13/336280513.db2.gz SZACIWNPYBSJEI-UHFFFAOYSA-N -1 3 318.367 3.753 20 0 DHADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3ccon3)n2)c1 ZINC000301597820 336317364 /nfs/dbraw/zinc/31/73/64/336317364.db2.gz SWZQUANYBOMYFS-UHFFFAOYSA-N -1 3 311.128 3.644 20 0 DHADHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC4(CCC4)C3)c(=O)c2c1 ZINC000352956887 336379225 /nfs/dbraw/zinc/37/92/25/336379225.db2.gz MOUPMNSXOGAEPO-UHFFFAOYSA-N -1 3 324.424 3.551 20 0 DHADHM Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)ccc1[O-] ZINC000353866442 336444794 /nfs/dbraw/zinc/44/47/94/336444794.db2.gz BKNSSBMIIVKZBO-IBGZPJMESA-N -1 3 318.376 3.615 20 0 DHADHM CCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c(C)o1 ZINC000354520438 336473543 /nfs/dbraw/zinc/47/35/43/336473543.db2.gz IQBVJWVLDGTAHP-UHFFFAOYSA-N -1 3 314.263 3.522 20 0 DHADHM C[C@]1(CNC(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000355061582 336493560 /nfs/dbraw/zinc/49/35/60/336493560.db2.gz VPXXISHIPRXJBE-MAUKXSAKSA-N -1 3 315.800 3.969 20 0 DHADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000357491880 336587561 /nfs/dbraw/zinc/58/75/61/336587561.db2.gz DQIIYIYDSGFTLW-BZNIZROVSA-N -1 3 319.788 3.552 20 0 DHADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1cn(C)c2ccccc12 ZINC000358149115 336613333 /nfs/dbraw/zinc/61/33/33/336613333.db2.gz DZPNNWBKTRPFLG-LLVKDONJSA-N -1 3 312.344 3.765 20 0 DHADHM [O-]c1cccnc1CNc1ncnc2oc(-c3ccccc3)cc21 ZINC000358848365 336644887 /nfs/dbraw/zinc/64/48/87/336644887.db2.gz OUEPIYDNUFFJAH-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM [O-]c1cccnc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000359892945 336691675 /nfs/dbraw/zinc/69/16/75/336691675.db2.gz BAAMUDYZUKBTLL-UHFFFAOYSA-N -1 3 321.167 3.649 20 0 DHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(c2ccccc2F)C1 ZINC000361221454 336744966 /nfs/dbraw/zinc/74/49/66/336744966.db2.gz QYKVEUNJZOJVCC-UHFFFAOYSA-N -1 3 321.351 3.924 20 0 DHADHM CC(C)c1occc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000361460447 336757454 /nfs/dbraw/zinc/75/74/54/336757454.db2.gz XKGYDOOVTFWUJR-UHFFFAOYSA-N -1 3 303.343 3.767 20 0 DHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000363251645 336820791 /nfs/dbraw/zinc/82/07/91/336820791.db2.gz IASRFPRIRIDNFI-XNJGSVPQSA-N -1 3 311.381 3.505 20 0 DHADHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@@H]1C1CCCCC1 ZINC000376098922 337026859 /nfs/dbraw/zinc/02/68/59/337026859.db2.gz RGUDBCISBMMWJV-CQSZACIVSA-N -1 3 308.447 3.814 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000426752988 337044983 /nfs/dbraw/zinc/04/49/83/337044983.db2.gz BSNUSNOYCXFZEZ-MRXNPFEDSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@@H](c1ccc2ccccc2c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377490151 337053674 /nfs/dbraw/zinc/05/36/74/337053674.db2.gz KTEHOEOYLBUTAZ-SUMWQHHRSA-N -1 3 322.412 3.604 20 0 DHADHM O=C(C[C@H]1OCCc2ccsc21)Nc1cc(Cl)ccc1[O-] ZINC000377533837 337054415 /nfs/dbraw/zinc/05/44/15/337054415.db2.gz MWNJTTKZKRMHIX-CYBMUJFWSA-N -1 3 323.801 3.750 20 0 DHADHM O=C(N[C@H]1COc2c1cccc2Cl)c1cc([O-])ccc1Cl ZINC000378027549 337065314 /nfs/dbraw/zinc/06/53/14/337065314.db2.gz QDEIHTVRSDLZNY-ZDUSSCGKSA-N -1 3 324.163 3.563 20 0 DHADHM COC(=O)c1cnc(S[C@H](C)c2ccc(F)c(Cl)c2)[n-]1 ZINC000193547270 337077913 /nfs/dbraw/zinc/07/79/13/337077913.db2.gz WYJCNOWTXMTDHE-SSDOTTSWSA-N -1 3 314.769 3.842 20 0 DHADHM Cc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000172691352 337129587 /nfs/dbraw/zinc/12/95/87/337129587.db2.gz DFQAQJPZUFYOLN-UHFFFAOYSA-N -1 3 310.328 3.536 20 0 DHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2ccccc2)CC1 ZINC000179475916 337169524 /nfs/dbraw/zinc/16/95/24/337169524.db2.gz SQQCBUYDDSSTSQ-HNNXBMFYSA-N -1 3 311.381 3.508 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000179539864 337170096 /nfs/dbraw/zinc/17/00/96/337170096.db2.gz GEAKTWXTOXAPRW-CQSZACIVSA-N -1 3 316.426 3.779 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)c1ccc2ccc(Cl)cc2n1 ZINC000180465570 337174840 /nfs/dbraw/zinc/17/48/40/337174840.db2.gz ZIZRPXVZHQQDLJ-UHFFFAOYSA-N -1 3 316.719 3.985 20 0 DHADHM CCOc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000181832491 337184888 /nfs/dbraw/zinc/18/48/88/337184888.db2.gz NXDQRYDQZDOYSZ-UHFFFAOYSA-N -1 3 305.761 3.626 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccc(Cl)cc2)CC1 ZINC000183271744 337192584 /nfs/dbraw/zinc/19/25/84/337192584.db2.gz JGVHSDOGQHXHSE-UHFFFAOYSA-N -1 3 305.736 3.855 20 0 DHADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000183258044 337192626 /nfs/dbraw/zinc/19/26/26/337192626.db2.gz PEBUZLGIZNPULJ-ZYHUDNBSSA-N -1 3 307.271 3.552 20 0 DHADHM Cc1cccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c1[O-] ZINC000321078404 337194687 /nfs/dbraw/zinc/19/46/87/337194687.db2.gz LJWRAAGBXIGQHQ-CYBMUJFWSA-N -1 3 308.337 3.665 20 0 DHADHM Cc1nc(C(=O)Nc2cc(F)ccc2[O-])c(-c2ccccc2)o1 ZINC000184161875 337196653 /nfs/dbraw/zinc/19/66/53/337196653.db2.gz LPAIPRLIHGKSOK-UHFFFAOYSA-N -1 3 312.300 3.747 20 0 DHADHM C[C@@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)c2c([O-])cccc21 ZINC000186262257 337255344 /nfs/dbraw/zinc/25/53/44/337255344.db2.gz BNTHFUFXYFPGAY-YJYMSZOUSA-N -1 3 323.392 3.546 20 0 DHADHM O=C(c1ccc2n[n-]nc2c1)N1CCCC2(CCCCC2)CC1 ZINC000188807621 337275400 /nfs/dbraw/zinc/27/54/00/337275400.db2.gz FRCFFADTHKILIG-UHFFFAOYSA-N -1 3 312.417 3.535 20 0 DHADHM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ncccc2[O-])c2ccccc21 ZINC000525948696 337302802 /nfs/dbraw/zinc/30/28/02/337302802.db2.gz SENKRKKHOYJBNK-YOEHRIQHSA-N -1 3 324.424 3.721 20 0 DHADHM O=C(Nc1ccccc1N1CCCC1)c1cc(-c2ccco2)[n-]n1 ZINC000029806837 337389822 /nfs/dbraw/zinc/38/98/22/337389822.db2.gz RDSMNZZVKXBVNE-UHFFFAOYSA-N -1 3 322.368 3.522 20 0 DHADHM O=C(Nc1ccccc1N1CCCC1)c1cc(-c2ccco2)n[n-]1 ZINC000029806837 337389823 /nfs/dbraw/zinc/38/98/23/337389823.db2.gz RDSMNZZVKXBVNE-UHFFFAOYSA-N -1 3 322.368 3.522 20 0 DHADHM CC(C)(C)c1csc(NC(=O)c2cc(-c3ccco3)[n-]n2)n1 ZINC000030605913 337390253 /nfs/dbraw/zinc/39/02/53/337390253.db2.gz SODGHHJWGFGWPT-UHFFFAOYSA-N -1 3 316.386 3.676 20 0 DHADHM CC(C)(C)c1csc(NC(=O)c2cc(-c3ccco3)n[n-]2)n1 ZINC000030605913 337390254 /nfs/dbraw/zinc/39/02/54/337390254.db2.gz SODGHHJWGFGWPT-UHFFFAOYSA-N -1 3 316.386 3.676 20 0 DHADHM CO[C@@H](C)c1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000130848989 337434689 /nfs/dbraw/zinc/43/46/89/337434689.db2.gz KSZRYBJUMCXZFI-NSHDSACASA-N -1 3 319.788 3.934 20 0 DHADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Cl)s1 ZINC000048818445 337435777 /nfs/dbraw/zinc/43/57/77/337435777.db2.gz DFIMZCJBELOHPU-UHFFFAOYSA-N -1 3 311.775 3.765 20 0 DHADHM CSc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000136053889 337453520 /nfs/dbraw/zinc/45/35/20/337453520.db2.gz YMOISNQCFKNKLV-UHFFFAOYSA-N -1 3 307.802 3.949 20 0 DHADHM CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1[O-] ZINC000420178288 337496234 /nfs/dbraw/zinc/49/62/34/337496234.db2.gz TWHQAQRYPPPZLT-HOTGVXAUSA-N -1 3 317.429 3.882 20 0 DHADHM C/C(=C\c1ccccc1OC(F)F)CNCc1ncccc1[O-] ZINC000564132168 337558655 /nfs/dbraw/zinc/55/86/55/337558655.db2.gz JYKNGFQCVGZLFH-FMIVXFBMSA-N -1 3 320.339 3.582 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(CCC(F)(F)F)cc1 ZINC000161687322 337594980 /nfs/dbraw/zinc/59/49/80/337594980.db2.gz NKTPWTFBGRXYJJ-UHFFFAOYSA-N -1 3 310.275 3.534 20 0 DHADHM CC(C)C[C@@H](CNCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263462425 337629792 /nfs/dbraw/zinc/62/97/92/337629792.db2.gz FABKRSMXEXGHMC-ZDUSSCGKSA-N -1 3 319.376 3.922 20 0 DHADHM C[C@]1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CC1(F)F ZINC000421791606 337643850 /nfs/dbraw/zinc/64/38/50/337643850.db2.gz JKTZRMYRKVETFU-QGZVFWFLSA-N -1 3 317.335 3.967 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421793369 337643942 /nfs/dbraw/zinc/64/39/42/337643942.db2.gz VMDASBSGGPOUCG-OPRDCNLKSA-N -1 3 310.191 3.529 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421961983 337662633 /nfs/dbraw/zinc/66/26/33/337662633.db2.gz LRVNZKCNWFFGRS-GFCCVEGCSA-N -1 3 315.335 3.759 20 0 DHADHM Cc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c([O-])c1 ZINC000527659107 337756742 /nfs/dbraw/zinc/75/67/42/337756742.db2.gz OAALNOFWATXQGA-OAUYIBNBSA-N -1 3 313.784 3.878 20 0 DHADHM O=C([N-]c1nnc(C2CC2)s1)c1ccsc1C(F)(F)F ZINC000528048817 337785869 /nfs/dbraw/zinc/78/58/69/337785869.db2.gz VRDBMYMKPFEWPU-UHFFFAOYSA-N -1 3 319.333 3.748 20 0 DHADHM O=C(Nc1ncccc1[O-])c1ccc(OC2CCC2)cc1Cl ZINC000089477321 337869921 /nfs/dbraw/zinc/86/99/21/337869921.db2.gz UVPNQVLVGPGNOZ-UHFFFAOYSA-N -1 3 318.760 3.624 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@H](C)NCc1cccc(Cl)c1Cl ZINC000424613983 337918308 /nfs/dbraw/zinc/91/83/08/337918308.db2.gz HJWRDILADJCRLM-JOYOIKCWSA-N -1 3 304.217 3.828 20 0 DHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1ccc(Cl)cc1Cl ZINC000424622353 337925747 /nfs/dbraw/zinc/92/57/47/337925747.db2.gz QAHIRIHZBGWHSW-NOZJJQNGSA-N -1 3 304.217 3.828 20 0 DHADHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1c(Cl)cccc1Cl ZINC000424625926 337926540 /nfs/dbraw/zinc/92/65/40/337926540.db2.gz TYRZXBSBQZVCIN-RNCFNFMXSA-N -1 3 304.217 3.828 20 0 DHADHM CN(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)c(F)c1 ZINC000516217978 338007774 /nfs/dbraw/zinc/00/77/74/338007774.db2.gz WGMCPBZTLWUYAY-UHFFFAOYSA-N -1 3 308.740 3.503 20 0 DHADHM CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1[O-] ZINC000516472873 338013189 /nfs/dbraw/zinc/01/31/89/338013189.db2.gz NZWHWLGQOWETFX-UWVGGRQHSA-N -1 3 315.291 3.512 20 0 DHADHM C[C@H]1CCN(Cc2cc([O-])ccc2Br)CC1(F)F ZINC000426390186 338030169 /nfs/dbraw/zinc/03/01/69/338030169.db2.gz IAMPLYNTOZOAMF-VIFPVBQESA-N -1 3 320.177 3.632 20 0 DHADHM Cc1cccc(C[C@H](CNCc2ccsc2Cl)C(=O)[O-])c1 ZINC000426629868 338036608 /nfs/dbraw/zinc/03/66/08/338036608.db2.gz GBTOWXZSPUPKJU-CQSZACIVSA-N -1 3 323.845 3.743 20 0 DHADHM CC[C@H](C)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000426653676 338037136 /nfs/dbraw/zinc/03/71/36/338037136.db2.gz DTDFGEUGEGXVMH-DTWKUNHWSA-N -1 3 311.838 3.956 20 0 DHADHM C[C@@H](CCCCC(=O)[O-])NCc1ncc(-c2ccccc2)s1 ZINC000426658418 338037209 /nfs/dbraw/zinc/03/72/09/338037209.db2.gz WHZYUKQJDRZKBZ-ZDUSSCGKSA-N -1 3 318.442 3.933 20 0 DHADHM O=C([O-])CCCCCNCc1ccc(-c2ccncc2)cc1F ZINC000426670308 338037583 /nfs/dbraw/zinc/03/75/83/338037583.db2.gz DSBJLTVRLVEQRQ-UHFFFAOYSA-N -1 3 316.376 3.622 20 0 DHADHM Cc1ccc([C@@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])cc1 ZINC000426688878 338038180 /nfs/dbraw/zinc/03/81/80/338038180.db2.gz XQSFTLQRFFRUQI-GOSISDBHSA-N -1 3 313.397 3.698 20 0 DHADHM O=C([O-])Cc1ccccc1CNCc1csc2ccccc12 ZINC000426692066 338038193 /nfs/dbraw/zinc/03/81/93/338038193.db2.gz OFBGLIIWNYEKOL-UHFFFAOYSA-N -1 3 311.406 3.818 20 0 DHADHM CCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426708673 338038717 /nfs/dbraw/zinc/03/87/17/338038717.db2.gz LUYVVHGEILSFLN-SFHVURJKSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1nc(CNC[C@@H](C)CCc2ccccc2)sc1C(=O)[O-] ZINC000426713841 338038821 /nfs/dbraw/zinc/03/88/21/338038821.db2.gz KIMLYIJSAWRCLF-LBPRGKRZSA-N -1 3 318.442 3.508 20 0 DHADHM Cc1cccc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000426715680 338039021 /nfs/dbraw/zinc/03/90/21/338039021.db2.gz JSRDEEJCPZJIBH-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426722113 338039228 /nfs/dbraw/zinc/03/92/28/338039228.db2.gz GBRFMOPBTOEUPF-OAHLLOKOSA-N -1 3 307.752 3.703 20 0 DHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000426725807 338039498 /nfs/dbraw/zinc/03/94/98/338039498.db2.gz FDUARFBXGGOIKG-GOSISDBHSA-N -1 3 313.397 3.618 20 0 DHADHM CC(C)(C)c1nc(CN[C@@H]2CCCC[C@]2(C)C(=O)[O-])cs1 ZINC000426730257 338039540 /nfs/dbraw/zinc/03/95/40/338039540.db2.gz KMGWGYZQPSCSHW-WBMJQRKESA-N -1 3 310.463 3.564 20 0 DHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc(C)c2)cc1 ZINC000426728801 338039633 /nfs/dbraw/zinc/03/96/33/338039633.db2.gz XLZDOGNWOWJGMB-SFHVURJKSA-N -1 3 313.397 3.699 20 0 DHADHM Cc1cccc([C@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000426730652 338039747 /nfs/dbraw/zinc/03/97/47/338039747.db2.gz AQRMRIZVFFJAIF-INIZCTEOSA-N -1 3 303.789 3.872 20 0 DHADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc(Cl)c1)c1ccccc1 ZINC000426741066 338040146 /nfs/dbraw/zinc/04/01/46/338040146.db2.gz DGFFLCZOFLCNHY-LRDDRELGSA-N -1 3 303.789 3.892 20 0 DHADHM Cc1cc(C)cc([C@@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])c1 ZINC000426749769 338040687 /nfs/dbraw/zinc/04/06/87/338040687.db2.gz IKZHOIDBTBDQGI-DDKKJVIOSA-N -1 3 313.372 3.871 20 0 DHADHM Cc1cc(C)cc([C@H](NCc2cc(F)ccc2C)C(=O)[O-])c1 ZINC000426753865 338040835 /nfs/dbraw/zinc/04/08/35/338040835.db2.gz LRVTZXQILAYMKK-KRWDZBQOSA-N -1 3 301.361 3.666 20 0 DHADHM Cc1cc(C)cc([C@@H](NCc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000426760137 338041110 /nfs/dbraw/zinc/04/11/10/338041110.db2.gz ZBIDSJCTJNJUOO-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM [O-]c1ccc(CNCc2nc3ccc(F)cc3s2)cc1F ZINC000428879945 338064297 /nfs/dbraw/zinc/06/42/97/338064297.db2.gz IICCVTHRCCCJFE-UHFFFAOYSA-N -1 3 306.337 3.570 20 0 DHADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1 ZINC000429231212 338074084 /nfs/dbraw/zinc/07/40/84/338074084.db2.gz DNESVUBILXFZNG-RKDXNWHRSA-N -1 3 308.790 3.553 20 0 DHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2Cl)s1 ZINC000431136401 338123738 /nfs/dbraw/zinc/12/37/38/338123738.db2.gz FGGGMMUBUBDMBQ-UHFFFAOYSA-N -1 3 307.849 3.881 20 0 DHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cccc(Cl)c1 ZINC000431146546 338124092 /nfs/dbraw/zinc/12/40/92/338124092.db2.gz PXHLEKRDRCPRJK-UHFFFAOYSA-N -1 3 321.707 3.558 20 0 DHADHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000431588060 338134174 /nfs/dbraw/zinc/13/41/74/338134174.db2.gz PUSMPBVSXSBDQW-UHFFFAOYSA-N -1 3 307.818 3.582 20 0 DHADHM CCSc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000162832479 338136455 /nfs/dbraw/zinc/13/64/55/338136455.db2.gz ICUKBAMTDRQRMW-UHFFFAOYSA-N -1 3 305.374 3.573 20 0 DHADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000431786724 338138842 /nfs/dbraw/zinc/13/88/42/338138842.db2.gz SNSOWKQFQSKTOE-CQSZACIVSA-N -1 3 315.800 3.675 20 0 DHADHM CCS[C@@H]1CCCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000431792212 338139023 /nfs/dbraw/zinc/13/90/23/338139023.db2.gz BSTCMVZZRFUGCJ-GFCCVEGCSA-N -1 3 313.850 3.793 20 0 DHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000431912178 338141698 /nfs/dbraw/zinc/14/16/98/338141698.db2.gz LSWNNGRFJUFDIW-UHFFFAOYSA-N -1 3 321.298 3.765 20 0 DHADHM COc1ccc([O-])c(C(=O)N(C)C2CCC(C(C)C)CC2)c1 ZINC000432558174 338158923 /nfs/dbraw/zinc/15/89/23/338158923.db2.gz NVRCGXZQFDLGAL-UHFFFAOYSA-N -1 3 305.418 3.688 20 0 DHADHM CCCn1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432707200 338163668 /nfs/dbraw/zinc/16/36/68/338163668.db2.gz VEOLNWVKAWMXLH-JXAWBTAJSA-N -1 3 319.408 3.765 20 0 DHADHM CC(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000436149430 338259790 /nfs/dbraw/zinc/25/97/90/338259790.db2.gz CVOGMXIKJGNZEK-HNNXBMFYSA-N -1 3 304.777 3.819 20 0 DHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436482358 338273676 /nfs/dbraw/zinc/27/36/76/338273676.db2.gz DAKJMJPAQLKZPM-LLVKDONJSA-N -1 3 311.337 3.643 20 0 DHADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(C)c(OC)c1 ZINC000436498583 338274376 /nfs/dbraw/zinc/27/43/76/338274376.db2.gz WSMWCLARJPBTGE-UHFFFAOYSA-N -1 3 315.369 3.587 20 0 DHADHM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436512528 338274736 /nfs/dbraw/zinc/27/47/36/338274736.db2.gz KWAXDXQBQUSWNU-IBGZPJMESA-N -1 3 313.372 3.720 20 0 DHADHM CCCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436524950 338275161 /nfs/dbraw/zinc/27/51/61/338275161.db2.gz LSADOULUPAVZCU-UHFFFAOYSA-N -1 3 311.381 3.647 20 0 DHADHM COc1ccc(C(C)(C)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436537721 338275973 /nfs/dbraw/zinc/27/59/73/338275973.db2.gz YXVFXOLDEIEWAF-UHFFFAOYSA-N -1 3 310.353 3.777 20 0 DHADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCC1 ZINC000436538607 338276083 /nfs/dbraw/zinc/27/60/83/338276083.db2.gz RETAYQUNEPXSSI-UHFFFAOYSA-N -1 3 309.409 3.998 20 0 DHADHM CCS[C@H]1CCCCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000436548790 338276465 /nfs/dbraw/zinc/27/64/65/338276465.db2.gz VAZAMVFUUWSKID-AWEZNQCLSA-N -1 3 307.459 3.757 20 0 DHADHM Cc1ccc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)c([O-])c1 ZINC000436551090 338276696 /nfs/dbraw/zinc/27/66/96/338276696.db2.gz WXDTWFMWXRSIAD-UHFFFAOYSA-N -1 3 319.364 3.718 20 0 DHADHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c([O-])c1 ZINC000436551365 338276771 /nfs/dbraw/zinc/27/67/71/338276771.db2.gz NPRLQZLZPSSVEK-QGZVFWFLSA-N -1 3 309.409 3.856 20 0 DHADHM COCCCCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436555466 338276883 /nfs/dbraw/zinc/27/68/83/338276883.db2.gz JDDCRHADEKMCLW-UHFFFAOYSA-N -1 3 307.434 3.795 20 0 DHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cc(C)sc2C)cc1[O-] ZINC000436556653 338276960 /nfs/dbraw/zinc/27/69/60/338276960.db2.gz OTJSWBTUTRQITA-JTQLQIEISA-N -1 3 317.410 3.764 20 0 DHADHM Cc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c([O-])c1 ZINC000436561053 338276980 /nfs/dbraw/zinc/27/69/80/338276980.db2.gz BBXMLJVSEXHUGE-GFCCVEGCSA-N -1 3 319.788 3.551 20 0 DHADHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c([O-])c1 ZINC000436559125 338277084 /nfs/dbraw/zinc/27/70/84/338277084.db2.gz SWTLGQSHXLYWCQ-NSHDSACASA-N -1 3 318.442 3.946 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3F)no2)c1 ZINC000436563066 338277236 /nfs/dbraw/zinc/27/72/36/338277236.db2.gz MFHCPVAEOBXEFO-UHFFFAOYSA-N -1 3 320.707 3.910 20 0 DHADHM [O-]c1ccc(-c2noc(C3CCC(OC(F)F)CC3)n2)cc1 ZINC000436564974 338277252 /nfs/dbraw/zinc/27/72/52/338277252.db2.gz LHALGWLCXUOZRN-UHFFFAOYSA-N -1 3 310.300 3.708 20 0 DHADHM Cc1cccc2c1N(C(=O)c1ccc3c(c1[O-])OC(C)(C)C3)CC2 ZINC000436573219 338277753 /nfs/dbraw/zinc/27/77/53/338277753.db2.gz INZHGQGSUQBEDE-UHFFFAOYSA-N -1 3 323.392 3.617 20 0 DHADHM Cc1cccc(C(=O)NCc2ccc(-c3cccnc3)cc2)c1[O-] ZINC000436572343 338277777 /nfs/dbraw/zinc/27/77/77/338277777.db2.gz FKMGVDHGGGMXSW-UHFFFAOYSA-N -1 3 318.376 3.693 20 0 DHADHM Cc1cnc([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000436577991 338278004 /nfs/dbraw/zinc/27/80/04/338278004.db2.gz ULNLDUDUEBEMOP-LLVKDONJSA-N -1 3 316.426 3.527 20 0 DHADHM C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000436576450 338278047 /nfs/dbraw/zinc/27/80/47/338278047.db2.gz QPUUBIDXDUQDAY-OKILXGFUSA-N -1 3 311.381 3.913 20 0 DHADHM CC[C@](C)(NC(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000436581427 338278132 /nfs/dbraw/zinc/27/81/32/338278132.db2.gz FBCNNKOHBXOVJH-INIZCTEOSA-N -1 3 304.415 3.521 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000436588616 338278750 /nfs/dbraw/zinc/27/87/50/338278750.db2.gz NKQGUYDFWLKTIY-NRFANRHFSA-N -1 3 321.420 3.903 20 0 DHADHM CC(C)c1ccc(C(=O)N(C)Cc2cc(Cl)cn2C)c([O-])c1 ZINC000436589093 338278752 /nfs/dbraw/zinc/27/87/52/338278752.db2.gz UZYBWHZCZIXBIQ-UHFFFAOYSA-N -1 3 320.820 3.780 20 0 DHADHM CCc1ccc(C(=O)Nc2cnn([C@H](C)CC)c2C)c([O-])c1 ZINC000436596673 338279167 /nfs/dbraw/zinc/27/91/67/338279167.db2.gz NETNWCPEVBTJHH-LLVKDONJSA-N -1 3 301.390 3.683 20 0 DHADHM CCc1ccnc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000436599064 338279379 /nfs/dbraw/zinc/27/93/79/338279379.db2.gz WMMVLEJDCMFFKZ-UHFFFAOYSA-N -1 3 321.380 3.945 20 0 DHADHM COc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436612313 338279979 /nfs/dbraw/zinc/27/99/79/338279979.db2.gz MGSVMHQQOVRXOS-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CCOc1cccc([C@@H](C)NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436619767 338280324 /nfs/dbraw/zinc/28/03/24/338280324.db2.gz XVZAORSWMVYUBH-CYBMUJFWSA-N -1 3 313.397 3.844 20 0 DHADHM Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c([O-])c1C ZINC000436643372 338281217 /nfs/dbraw/zinc/28/12/17/338281217.db2.gz XBLUTHDIOTZKIB-UHFFFAOYSA-N -1 3 313.382 3.713 20 0 DHADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1O ZINC000436648506 338281316 /nfs/dbraw/zinc/28/13/16/338281316.db2.gz MHQLXGLEQAKSAU-UHFFFAOYSA-N -1 3 319.744 3.515 20 0 DHADHM COc1ccc([O-])c(-c2nc(-c3cccc(C)c3F)no2)c1 ZINC000436687163 338282856 /nfs/dbraw/zinc/28/28/56/338282856.db2.gz JXWKOFQQCKPAFR-UHFFFAOYSA-N -1 3 300.289 3.565 20 0 DHADHM CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436692121 338283238 /nfs/dbraw/zinc/28/32/38/338283238.db2.gz LWYWXJUTCZLAOA-UHFFFAOYSA-N -1 3 309.369 3.631 20 0 DHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436702781 338283280 /nfs/dbraw/zinc/28/32/80/338283280.db2.gz FAVHPMHROOOEHX-UHFFFAOYSA-N -1 3 321.380 3.960 20 0 DHADHM CCc1cc(C(=O)N(CC)[C@H](CC)c2ccncc2)ccc1[O-] ZINC000436700722 338283294 /nfs/dbraw/zinc/28/32/94/338283294.db2.gz WYROHZPSALFJGL-QGZVFWFLSA-N -1 3 312.413 3.963 20 0 DHADHM CO[C@H](C)CN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436709218 338283637 /nfs/dbraw/zinc/28/36/37/338283637.db2.gz MTTSFOPPJZCHJR-CYBMUJFWSA-N -1 3 307.434 3.746 20 0 DHADHM CCOc1cc(NC(=O)c2ccc(C)c(C)c2[O-])ccc1OC ZINC000436710341 338283757 /nfs/dbraw/zinc/28/37/57/338283757.db2.gz SHYTWYSCENFYJZ-UHFFFAOYSA-N -1 3 315.369 3.669 20 0 DHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436728251 338284490 /nfs/dbraw/zinc/28/44/90/338284490.db2.gz JLCRXDBAIFNDAW-AWEZNQCLSA-N -1 3 318.376 3.945 20 0 DHADHM CCN(CCc1cccs1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436737029 338284877 /nfs/dbraw/zinc/28/48/77/338284877.db2.gz HPYHFMNNXIHHKG-UHFFFAOYSA-N -1 3 303.427 3.775 20 0 DHADHM Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c([O-])c1 ZINC000436735957 338284889 /nfs/dbraw/zinc/28/48/89/338284889.db2.gz DUZSMOMNPCSQFT-UHFFFAOYSA-N -1 3 321.380 3.662 20 0 DHADHM CC(C)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000436740759 338284980 /nfs/dbraw/zinc/28/49/80/338284980.db2.gz RSMOSSQVTSYPJC-MRXNPFEDSA-N -1 3 319.788 3.878 20 0 DHADHM COc1cc(C)cc(C(=O)Nc2nc3ccccc3s2)c1[O-] ZINC000436747225 338285188 /nfs/dbraw/zinc/28/51/88/338285188.db2.gz LQYIMMYSTYJQFV-UHFFFAOYSA-N -1 3 314.366 3.571 20 0 DHADHM O=c1nc(Cc2cccc(O)c2)[n-]c2sc3ccccc3c21 ZINC000436748262 338285240 /nfs/dbraw/zinc/28/52/40/338285240.db2.gz OKHCVYXPUJCGGQ-UHFFFAOYSA-N -1 3 308.362 3.847 20 0 DHADHM CC1CCC(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436755049 338285502 /nfs/dbraw/zinc/28/55/02/338285502.db2.gz LSGXTIWILMWFTL-UHFFFAOYSA-N -1 3 317.429 3.756 20 0 DHADHM C[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436754868 338285593 /nfs/dbraw/zinc/28/55/93/338285593.db2.gz IVJUSDJXMOKNCL-HNNXBMFYSA-N -1 3 309.409 3.998 20 0 DHADHM CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1Cl ZINC000436758237 338285880 /nfs/dbraw/zinc/28/58/80/338285880.db2.gz WKIUYEDJXJEOOY-UHFFFAOYSA-N -1 3 318.760 3.565 20 0 DHADHM C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436759527 338285972 /nfs/dbraw/zinc/28/59/72/338285972.db2.gz ZKGLGQBOPORSHY-HNNXBMFYSA-N -1 3 309.409 3.855 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000436758815 338286013 /nfs/dbraw/zinc/28/60/13/338286013.db2.gz ZMMOFBPUEABMAU-QGZVFWFLSA-N -1 3 312.413 3.831 20 0 DHADHM Cc1nn(-c2ccccc2)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436768961 338286563 /nfs/dbraw/zinc/28/65/63/338286563.db2.gz LYFBFOYSGNJWHV-UHFFFAOYSA-N -1 3 318.336 3.603 20 0 DHADHM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436768416 338286615 /nfs/dbraw/zinc/28/66/15/338286615.db2.gz KKKOWVSRTHVTHM-WMZJFQQLSA-N -1 3 324.336 3.630 20 0 DHADHM Cc1cn2cc(NC(=O)c3ccc(C(C)C)cc3[O-])ccc2n1 ZINC000436812792 338288365 /nfs/dbraw/zinc/28/83/65/338288365.db2.gz MZOSDMFVQVYECC-UHFFFAOYSA-N -1 3 309.369 3.724 20 0 DHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC=C(F)C1 ZINC000436819058 338288404 /nfs/dbraw/zinc/28/84/04/338288404.db2.gz MLCJVYWOKGZOBF-UHFFFAOYSA-N -1 3 313.328 3.884 20 0 DHADHM Cc1cccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1[O-] ZINC000436818324 338288523 /nfs/dbraw/zinc/28/85/23/338288523.db2.gz UQQMRTLAQFGGOU-FQEVSTJZSA-N -1 3 309.409 3.938 20 0 DHADHM Cc1cc(C(=O)NCCCOc2cccc(C)c2C)ccc1[O-] ZINC000436816672 338288539 /nfs/dbraw/zinc/28/85/39/338288539.db2.gz UBVWTXYFFZQZIP-UHFFFAOYSA-N -1 3 313.397 3.516 20 0 DHADHM CCc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000436826800 338288826 /nfs/dbraw/zinc/28/88/26/338288826.db2.gz QPMBGHKLTAYJRN-HNNXBMFYSA-N -1 3 313.372 3.723 20 0 DHADHM CCc1ccc(-c2nc(Cc3cc(C)ccc3OC)no2)c([O-])c1 ZINC000436833780 338289120 /nfs/dbraw/zinc/28/91/20/338289120.db2.gz MSOROKOJQWRUMC-UHFFFAOYSA-N -1 3 324.380 3.912 20 0 DHADHM [O-]c1ccc(-c2noc(-c3cncc(C(F)(F)F)c3)n2)cc1 ZINC000436833170 338289123 /nfs/dbraw/zinc/28/91/23/338289123.db2.gz JHSMLCDQKUBWQL-UHFFFAOYSA-N -1 3 307.231 3.523 20 0 DHADHM CC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436845783 338289622 /nfs/dbraw/zinc/28/96/22/338289622.db2.gz UQWIJMFDUBYJSK-ZDUSSCGKSA-N -1 3 317.429 3.758 20 0 DHADHM CCc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)c([O-])c1 ZINC000436844310 338289742 /nfs/dbraw/zinc/28/97/42/338289742.db2.gz MYDUTRKDVFRYEC-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM CCc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436851468 338289867 /nfs/dbraw/zinc/28/98/67/338289867.db2.gz LJUCGWWSGTXGCF-KRWDZBQOSA-N -1 3 309.409 3.974 20 0 DHADHM CCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c([O-])c1 ZINC000436866293 338290535 /nfs/dbraw/zinc/29/05/35/338290535.db2.gz XWDRAWHSBWUDIO-UHFFFAOYSA-N -1 3 306.325 3.548 20 0 DHADHM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])no1 ZINC000436884494 338291710 /nfs/dbraw/zinc/29/17/10/338291710.db2.gz AGDIXAGYOWBWNK-UHFFFAOYSA-N -1 3 314.263 3.775 20 0 DHADHM COc1cccc(C2(c3noc(-c4ccc(C)cc4[O-])n3)CC2)c1 ZINC000436886325 338291841 /nfs/dbraw/zinc/29/18/41/338291841.db2.gz MPFNTHSTHWIMHL-UHFFFAOYSA-N -1 3 322.364 3.839 20 0 DHADHM Cc1ccc(F)cc1C1(c2noc(-c3ccccc3[O-])n2)CC1 ZINC000436888967 338291980 /nfs/dbraw/zinc/29/19/80/338291980.db2.gz WKWBVOSBDNOKPI-UHFFFAOYSA-N -1 3 310.328 3.970 20 0 DHADHM COc1cccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c1[O-] ZINC000436892729 338292180 /nfs/dbraw/zinc/29/21/80/338292180.db2.gz MJMHMIHGYFIOIF-KRWDZBQOSA-N -1 3 313.397 3.836 20 0 DHADHM COc1cccc(-c2nc(Cc3c(C)cc(C)cc3C)no2)c1[O-] ZINC000436890239 338292182 /nfs/dbraw/zinc/29/21/82/338292182.db2.gz SRJZYPDVGSJQQJ-UHFFFAOYSA-N -1 3 324.380 3.967 20 0 DHADHM COc1cc(-c2noc(-c3cccc4cccnc43)n2)ccc1[O-] ZINC000436894198 338292256 /nfs/dbraw/zinc/29/22/56/338292256.db2.gz DEBSRIQJHXCKNP-UHFFFAOYSA-N -1 3 319.320 3.666 20 0 DHADHM CC(C)C(=O)Nc1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000436894922 338292394 /nfs/dbraw/zinc/29/23/94/338292394.db2.gz GZJWQRDPFFZFPQ-UHFFFAOYSA-N -1 3 323.352 3.704 20 0 DHADHM CCc1ccc([O-])c(-c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000436895360 338292412 /nfs/dbraw/zinc/29/24/12/338292412.db2.gz IOJPQOABZYQWMU-UHFFFAOYSA-N -1 3 302.280 3.950 20 0 DHADHM [O-]c1ccc(-c2noc(-c3coc(-c4ccccc4)n3)n2)cc1 ZINC000436897762 338292485 /nfs/dbraw/zinc/29/24/85/338292485.db2.gz CHWUXPTUBXJCLO-UHFFFAOYSA-N -1 3 305.293 3.764 20 0 DHADHM [O-]c1cc2c(cc1-c1nc(COc3ccccc3)no1)CCCC2 ZINC000436897920 338292564 /nfs/dbraw/zinc/29/25/64/338292564.db2.gz VKIIRAOUNJEPIK-UHFFFAOYSA-N -1 3 322.364 3.900 20 0 DHADHM COc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436900728 338292743 /nfs/dbraw/zinc/29/27/43/338292743.db2.gz JPSLNFUGPSEPQP-ZNFPLGDCSA-N -1 3 323.392 3.719 20 0 DHADHM CCOCc1ccccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436906332 338292875 /nfs/dbraw/zinc/29/28/75/338292875.db2.gz BOPWEZJXBAZJGD-UHFFFAOYSA-N -1 3 310.353 3.954 20 0 DHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000436909345 338293159 /nfs/dbraw/zinc/29/31/59/338293159.db2.gz YOANPPMUFCXRPP-CQSZACIVSA-N -1 3 313.372 3.941 20 0 DHADHM Cc1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000436913383 338293279 /nfs/dbraw/zinc/29/32/79/338293279.db2.gz VKRHKOWLYJTBQH-UHFFFAOYSA-N -1 3 317.348 3.890 20 0 DHADHM Cc1cc(O)ccc1-c1nc2cc(C(F)(F)F)ccc2c(=O)[n-]1 ZINC000436920289 338293370 /nfs/dbraw/zinc/29/33/70/338293370.db2.gz GJGVGUGGROMIEB-UHFFFAOYSA-N -1 3 320.270 3.623 20 0 DHADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1cc(F)ccc1F ZINC000436925176 338293591 /nfs/dbraw/zinc/29/35/91/338293591.db2.gz IYKUVOTWCHJEII-HNNXBMFYSA-N -1 3 305.324 3.860 20 0 DHADHM Cc1cccc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)c1[O-] ZINC000436923704 338293626 /nfs/dbraw/zinc/29/36/26/338293626.db2.gz DRGULJYBPLJJOB-UHFFFAOYSA-N -1 3 322.408 3.638 20 0 DHADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)c1cc(F)ccc1F ZINC000436925177 338293702 /nfs/dbraw/zinc/29/37/02/338293702.db2.gz IYKUVOTWCHJEII-OAHLLOKOSA-N -1 3 305.324 3.860 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)ccc1[O-] ZINC000436927927 338293819 /nfs/dbraw/zinc/29/38/19/338293819.db2.gz UPVPMYUIEMMAFS-YJBOKZPZSA-N -1 3 309.409 3.966 20 0 DHADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)ccc1[O-] ZINC000436927925 338293943 /nfs/dbraw/zinc/29/39/43/338293943.db2.gz UPVPMYUIEMMAFS-QAPCUYQASA-N -1 3 309.409 3.966 20 0 DHADHM O=C(Nc1ccc(Oc2cccnc2)cc1)c1c([O-])cccc1O ZINC000436934952 338294435 /nfs/dbraw/zinc/29/44/35/338294435.db2.gz UXDZPKWFYHJSTB-UHFFFAOYSA-N -1 3 322.320 3.537 20 0 DHADHM CC[C@H](C)n1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C1CC1 ZINC000436936548 338294523 /nfs/dbraw/zinc/29/45/23/338294523.db2.gz UGWFHAZHQATVQH-LBPRGKRZSA-N -1 3 313.401 3.998 20 0 DHADHM Cc1c(Cl)cccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000436939305 338294553 /nfs/dbraw/zinc/29/45/53/338294553.db2.gz YJSKMMGZVVTMBJ-UHFFFAOYSA-N -1 3 316.744 3.983 20 0 DHADHM Cc1ccccc1-c1cc(NC(=O)c2ccc([O-])c(C)c2)n[nH]1 ZINC000436938485 338294560 /nfs/dbraw/zinc/29/45/60/338294560.db2.gz LSPHHKHBQZDVKQ-UHFFFAOYSA-N -1 3 307.353 3.651 20 0 DHADHM Cc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c([O-])c1C ZINC000436939202 338294643 /nfs/dbraw/zinc/29/46/43/338294643.db2.gz NBMNOWFEIOYSIU-UHFFFAOYSA-N -1 3 306.325 3.602 20 0 DHADHM Cc1c(NC(=O)c2ccc([O-])c(C)c2)cnn1CCC(C)C ZINC000436940235 338294765 /nfs/dbraw/zinc/29/47/65/338294765.db2.gz VGBMJXLJJACKLY-UHFFFAOYSA-N -1 3 301.390 3.504 20 0 DHADHM Cc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)ccc1[O-] ZINC000436941029 338294805 /nfs/dbraw/zinc/29/48/05/338294805.db2.gz ZKSPGDRUSKBZIU-WBVHZDCISA-N -1 3 309.409 3.794 20 0 DHADHM CO[C@](C)(c1noc(-c2cc3ccccc3cc2[O-])n1)C1CC1 ZINC000436951846 338295562 /nfs/dbraw/zinc/29/55/62/338295562.db2.gz UCYFESIRDJAYNB-SFHVURJKSA-N -1 3 310.353 3.867 20 0 DHADHM COc1cccc(-c2nc([C@@H](C)c3ccccc3C)no2)c1[O-] ZINC000436962996 338296180 /nfs/dbraw/zinc/29/61/80/338296180.db2.gz NDPKMXVTOGBDMB-LBPRGKRZSA-N -1 3 310.353 3.911 20 0 DHADHM COc1ccc([O-])c2nc(/C=C/c3ccnn3C(C)C)ccc12 ZINC000436970008 338296295 /nfs/dbraw/zinc/29/62/95/338296295.db2.gz BPVXBOMOATWYRN-GQCTYLIASA-N -1 3 309.369 3.897 20 0 DHADHM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000436977453 338296523 /nfs/dbraw/zinc/29/65/23/338296523.db2.gz DJLPAFNQDYGCKJ-CQSZACIVSA-N -1 3 315.800 3.984 20 0 DHADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436987440 338296741 /nfs/dbraw/zinc/29/67/41/338296741.db2.gz IYQDCANLNBZHLW-JHJVBQTASA-N -1 3 317.429 3.612 20 0 DHADHM CC(C)c1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c([O-])c1 ZINC000436991634 338296920 /nfs/dbraw/zinc/29/69/20/338296920.db2.gz RTUOZBVIRCPMGD-CQSZACIVSA-N -1 3 317.429 3.547 20 0 DHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000437674663 338317961 /nfs/dbraw/zinc/31/79/61/338317961.db2.gz NKDVVQUWGSKREN-UHFFFAOYSA-N -1 3 305.783 3.650 20 0 DHADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)c1ccc(F)c(F)c1 ZINC000438747818 338351596 /nfs/dbraw/zinc/35/15/96/338351596.db2.gz OSFPZPRFUSNVKV-VIFPVBQESA-N -1 3 302.280 3.872 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000438774043 338352011 /nfs/dbraw/zinc/35/20/11/338352011.db2.gz IHVYHOHHFOUURC-UHFFFAOYSA-N -1 3 321.345 3.529 20 0 DHADHM COCc1nc2cc(NCc3c(F)ccc([O-])c3F)ccc2o1 ZINC000438831390 338353034 /nfs/dbraw/zinc/35/30/34/338353034.db2.gz BWMBVQIKAFZGTR-UHFFFAOYSA-N -1 3 320.295 3.570 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2ccc3cnn(CC)c3c2)c1 ZINC000439126801 338361750 /nfs/dbraw/zinc/36/17/50/338361750.db2.gz FKBDRVGQKQBHQX-UHFFFAOYSA-N -1 3 309.369 3.577 20 0 DHADHM CC(C)c1ccc(C(=O)N[C@@H](C)CCc2cccn2C)c([O-])c1 ZINC000440150471 338383770 /nfs/dbraw/zinc/38/37/70/338383770.db2.gz MBXKNZGEPGAYJN-AWEZNQCLSA-N -1 3 314.429 3.605 20 0 DHADHM CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000448635901 338386124 /nfs/dbraw/zinc/38/61/24/338386124.db2.gz VECWZWSUVXHGJP-MRXNPFEDSA-N -1 3 301.361 3.731 20 0 DHADHM CC(=O)c1sc2[n-]c(CSCC(C)(C)C)nc(=O)c2c1C ZINC000440588405 338391403 /nfs/dbraw/zinc/39/14/03/338391403.db2.gz LJDAGCDTBWMGSV-UHFFFAOYSA-N -1 3 324.471 3.775 20 0 DHADHM Cc1sc(CC(=O)Nc2ccc([O-])cc2F)nc1C(C)C ZINC000447563035 338557114 /nfs/dbraw/zinc/55/71/14/338557114.db2.gz NPFKUOPJRBXKSA-UHFFFAOYSA-N -1 3 308.378 3.601 20 0 DHADHM CO[C@@](C)(CNCc1cccc([O-])c1Cl)c1ccccc1 ZINC000449482177 338629426 /nfs/dbraw/zinc/62/94/26/338629426.db2.gz AVRKWZPXJRYFJI-KRWDZBQOSA-N -1 3 305.805 3.697 20 0 DHADHM [O-]c1cc(F)cc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449764511 338650945 /nfs/dbraw/zinc/65/09/45/338650945.db2.gz BRVWKEZLCVETRW-MRXNPFEDSA-N -1 3 321.417 3.586 20 0 DHADHM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000449926549 338659257 /nfs/dbraw/zinc/65/92/57/338659257.db2.gz CYMSACCTELYEKF-HNNXBMFYSA-N -1 3 317.360 3.729 20 0 DHADHM O=C([N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000449940977 338659863 /nfs/dbraw/zinc/65/98/63/338659863.db2.gz OOLMQFJLBJYUBF-DTWKUNHWSA-N -1 3 313.653 3.715 20 0 DHADHM C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000450513378 338688831 /nfs/dbraw/zinc/68/88/31/338688831.db2.gz VVCIUADPNRMBGW-OXQOHEQNSA-N -1 3 307.393 3.649 20 0 DHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCCCC12CCCC2 ZINC000451905227 338747996 /nfs/dbraw/zinc/74/79/96/338747996.db2.gz HJQBSDQHLFWJMW-MRXNPFEDSA-N -1 3 305.393 3.693 20 0 DHADHM CC1(C2([N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000451999236 338750576 /nfs/dbraw/zinc/75/05/76/338750576.db2.gz WVMYJJOOVHGSLL-UHFFFAOYSA-N -1 3 320.241 3.604 20 0 DHADHM COc1cc(C)cc(-c2nc(C3(OC)CCCCC3)no2)c1[O-] ZINC000453229847 338811116 /nfs/dbraw/zinc/81/11/16/338811116.db2.gz FXJDMHJSOAAHEV-UHFFFAOYSA-N -1 3 318.373 3.565 20 0 DHADHM CC[C@@H](CC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000457684807 338974954 /nfs/dbraw/zinc/97/49/54/338974954.db2.gz ZLCCYBQLWDEEBB-ZETCQYMHSA-N -1 3 322.149 3.775 20 0 DHADHM C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CCC1 ZINC000457749279 338977270 /nfs/dbraw/zinc/97/72/70/338977270.db2.gz YYLIBNHODSJLEX-QMMMGPOBSA-N -1 3 303.280 3.666 20 0 DHADHM CCOc1cc(CN2CC[C@@H]2CC)cc(Br)c1[O-] ZINC000459553428 339035393 /nfs/dbraw/zinc/03/53/93/339035393.db2.gz BDXXYBVFAPPUSC-NSHDSACASA-N -1 3 314.223 3.538 20 0 DHADHM [O-]c1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1Br ZINC000459277696 339018804 /nfs/dbraw/zinc/01/88/04/339018804.db2.gz IYASPVUIJTYAFI-CYBMUJFWSA-N -1 3 321.218 3.820 20 0 DHADHM O=c1cc(CN2CCC[C@H]2c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000459296742 339020002 /nfs/dbraw/zinc/02/00/02/339020002.db2.gz HEHGYMKAKOSBTK-INIZCTEOSA-N -1 3 313.376 3.536 20 0 DHADHM CCOc1cc(CN2CCC(C(F)F)CC2)cc(Cl)c1[O-] ZINC000459344024 339023258 /nfs/dbraw/zinc/02/32/58/339023258.db2.gz MIKAGQAPNNMTAS-UHFFFAOYSA-N -1 3 319.779 3.921 20 0 DHADHM CC[C@H]1C[C@@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C)c1 ZINC000459443636 339029552 /nfs/dbraw/zinc/02/95/52/339029552.db2.gz DXJILTOSIXQAGG-YWZLYKJASA-N -1 3 323.440 3.783 20 0 DHADHM CCOc1cc(CN2CCC[C@@H]2c2ncc[nH]2)cc(Cl)c1[O-] ZINC000459473127 339031241 /nfs/dbraw/zinc/03/12/41/339031241.db2.gz AUFHRNPBCBRKMF-CYBMUJFWSA-N -1 3 321.808 3.505 20 0 DHADHM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000462707873 339084136 /nfs/dbraw/zinc/08/41/36/339084136.db2.gz ZVAPYSATQZTAAH-HBNTYKKESA-N -1 3 319.879 3.649 20 0 DHADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462715221 339084635 /nfs/dbraw/zinc/08/46/35/339084635.db2.gz LPCBIEDPEBZSLR-UWVGGRQHSA-N -1 3 307.818 3.582 20 0 DHADHM CC(C)C[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000462773334 339087851 /nfs/dbraw/zinc/08/78/51/339087851.db2.gz CRVMMUNMRLNHIA-SECBINFHSA-N -1 3 300.196 3.775 20 0 DHADHM Cc1ccc2oc([N-][C@H]3C[C@@H](C)N(c4ccccc4)C3=O)nc2c1 ZINC000463067345 339103944 /nfs/dbraw/zinc/10/39/44/339103944.db2.gz CWKQGIBMXWNIOT-CJNGLKHVSA-N -1 3 321.380 3.742 20 0 DHADHM CCC(CC)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000464311120 339139497 /nfs/dbraw/zinc/13/94/97/339139497.db2.gz MLDKGIASIMWSGS-GOSISDBHSA-N -1 3 322.412 3.865 20 0 DHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468394224 339261739 /nfs/dbraw/zinc/26/17/39/339261739.db2.gz YKBPEANNRUPBQX-CZUORRHYSA-N -1 3 307.409 3.891 20 0 DHADHM Cc1ccc(F)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468540668 339265726 /nfs/dbraw/zinc/26/57/26/339265726.db2.gz CEMAODSYKWRARL-UHFFFAOYSA-N -1 3 305.324 3.940 20 0 DHADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(O)c1 ZINC000468556936 339266390 /nfs/dbraw/zinc/26/63/90/339266390.db2.gz WQOYJRDIFYJSBL-UHFFFAOYSA-N -1 3 303.333 3.507 20 0 DHADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C(C)(C)C)C(F)(F)F ZINC000469043907 339278458 /nfs/dbraw/zinc/27/84/58/339278458.db2.gz UMJFNOUHDSRRIG-LBPRGKRZSA-N -1 3 323.380 3.603 20 0 DHADHM CCC1(CC)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469300842 339285531 /nfs/dbraw/zinc/28/55/31/339285531.db2.gz IJPBPETZPREBIA-UHFFFAOYSA-N -1 3 307.409 3.893 20 0 DHADHM C[C@H]1CCC[C@H](C)C1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469381401 339287388 /nfs/dbraw/zinc/28/73/88/339287388.db2.gz MXJQRLYGOZNYRG-STQMWFEESA-N -1 3 307.409 3.795 20 0 DHADHM CC[C@@H](CC(F)(F)F)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469561094 339293354 /nfs/dbraw/zinc/29/33/54/339293354.db2.gz WNIZNMORWJEPPF-NSHDSACASA-N -1 3 321.314 3.701 20 0 DHADHM CCOc1nc2ccc(C(=O)N(C)c3cccc(C)c3)cc2[n-]1 ZINC000469647637 339294815 /nfs/dbraw/zinc/29/48/15/339294815.db2.gz IRMGTIODPDNTFU-UHFFFAOYSA-N -1 3 309.369 3.547 20 0 DHADHM CCOc1nc2cc(C(=O)N(C)c3cccc(C)c3)ccc2[n-]1 ZINC000469647637 339294816 /nfs/dbraw/zinc/29/48/16/339294816.db2.gz IRMGTIODPDNTFU-UHFFFAOYSA-N -1 3 309.369 3.547 20 0 DHADHM CC1(C)CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469667780 339295165 /nfs/dbraw/zinc/29/51/65/339295165.db2.gz AAHCOKKZEJYUSO-AWEZNQCLSA-N -1 3 307.409 3.939 20 0 DHADHM CCOc1nc2ccc(C(=O)Nc3cccc(F)c3C)cc2[n-]1 ZINC000469717400 339296247 /nfs/dbraw/zinc/29/62/47/339296247.db2.gz MRKSWNZXSOMCFC-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM CCOc1nc2cc(C(=O)Nc3cccc(F)c3C)ccc2[n-]1 ZINC000469717400 339296248 /nfs/dbraw/zinc/29/62/48/339296248.db2.gz MRKSWNZXSOMCFC-UHFFFAOYSA-N -1 3 313.332 3.661 20 0 DHADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000469815160 339301821 /nfs/dbraw/zinc/30/18/21/339301821.db2.gz AUCCQIPVQPPPMD-UNEWFSDZSA-N -1 3 319.420 3.891 20 0 DHADHM CCCN(C(=O)c1csc(=O)[n-]1)[C@H](CC)c1ccccc1 ZINC000471952317 339358188 /nfs/dbraw/zinc/35/81/88/339358188.db2.gz MUKSPYHHJDPHLG-CQSZACIVSA-N -1 3 304.415 3.852 20 0 DHADHM CC(C)(CF)[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000472948655 339379367 /nfs/dbraw/zinc/37/93/67/339379367.db2.gz FPYGOQLZQSRMIZ-UHFFFAOYSA-N -1 3 315.797 3.520 20 0 DHADHM Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@H]2C)c([O-])c1 ZINC000474788211 339425957 /nfs/dbraw/zinc/42/59/57/339425957.db2.gz QAQTVWMTPAXJON-GOEBONIOSA-N -1 3 310.397 3.554 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCc2c(O)cccc21 ZINC000476329517 339474545 /nfs/dbraw/zinc/47/45/45/339474545.db2.gz IENJONLIBJJGAT-ZDUSSCGKSA-N -1 3 317.772 3.810 20 0 DHADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(Cl)c1 ZINC000479493085 339537987 /nfs/dbraw/zinc/53/79/87/339537987.db2.gz ZUARYBYWKYAWTQ-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000479498175 339538223 /nfs/dbraw/zinc/53/82/23/339538223.db2.gz FKMYTXIFUPHTIW-UHFFFAOYSA-N -1 3 313.781 3.897 20 0 DHADHM O=c1[nH]c(-c2cccc([O-])c2)nc2cc(Cl)c(Cl)cc12 ZINC000485368817 339702025 /nfs/dbraw/zinc/70/20/25/339702025.db2.gz VSTGVPDUPBGFSY-UHFFFAOYSA-N -1 3 307.136 3.603 20 0 DHADHM CCc1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)ccc1[O-] ZINC000486775196 339733828 /nfs/dbraw/zinc/73/38/28/339733828.db2.gz IBFRSVGNJQHLJJ-AWEZNQCLSA-N -1 3 315.335 3.806 20 0 DHADHM CCc1cc(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)ccc1[O-] ZINC000486998084 339742106 /nfs/dbraw/zinc/74/21/06/339742106.db2.gz LOQZCZFBOVFGFY-GOSISDBHSA-N -1 3 309.409 3.893 20 0 DHADHM Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1[O-] ZINC000499557667 340039427 /nfs/dbraw/zinc/03/94/27/340039427.db2.gz LJTYCIDMCRBINY-UHFFFAOYSA-N -1 3 321.376 3.663 20 0 DHADHM Cc1cc(C(=O)N(C)CCOc2ccccc2Cl)ccc1[O-] ZINC000499584475 340040034 /nfs/dbraw/zinc/04/00/34/340040034.db2.gz HEDDOXWHGPOLLI-UHFFFAOYSA-N -1 3 319.788 3.505 20 0 DHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000500050248 340049385 /nfs/dbraw/zinc/04/93/85/340049385.db2.gz BYKZDVAQYSMINE-NRUUGDAUSA-N -1 3 319.829 3.582 20 0 DHADHM Cc1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)ccc1[O-] ZINC000500102013 340050250 /nfs/dbraw/zinc/05/02/50/340050250.db2.gz JXCUPLDUUJSGSE-ZDUSSCGKSA-N -1 3 301.308 3.552 20 0 DHADHM Cc1cc(C(=O)N2CC(Cc3ccccc3Cl)C2)ccc1[O-] ZINC000500113801 340050405 /nfs/dbraw/zinc/05/04/05/340050405.db2.gz PZTQUJKHNUCHDQ-UHFFFAOYSA-N -1 3 315.800 3.669 20 0 DHADHM Cc1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)ccc1[O-] ZINC000500423617 340058016 /nfs/dbraw/zinc/05/80/16/340058016.db2.gz KQFRUMGUAAQSAL-UHFFFAOYSA-N -1 3 317.335 3.788 20 0 DHADHM CCc1ccc([O-])c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000500731589 340066150 /nfs/dbraw/zinc/06/61/50/340066150.db2.gz FSNVAXOLIXJABY-UHFFFAOYSA-N -1 3 313.382 3.659 20 0 DHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)c1 ZINC000501803931 340089214 /nfs/dbraw/zinc/08/92/14/340089214.db2.gz YFDLVCZGPFMUIX-UHFFFAOYSA-N -1 3 319.426 3.811 20 0 DHADHM CC(C)(C)OC(=O)CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501943059 340091201 /nfs/dbraw/zinc/09/12/01/340091201.db2.gz BGUCNQZWUOZQCX-UHFFFAOYSA-N -1 3 321.417 3.750 20 0 DHADHM CC[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(CC)CC ZINC000501981135 340091985 /nfs/dbraw/zinc/09/19/85/340091985.db2.gz UVCNSBJHNXQWJI-LBPRGKRZSA-N -1 3 319.232 3.758 20 0 DHADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc(F)cn1 ZINC000503519589 340129581 /nfs/dbraw/zinc/12/95/81/340129581.db2.gz RZSZTNOOFZEBOB-UHFFFAOYSA-N -1 3 322.339 3.769 20 0 DHADHM CC(C)(COCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000503543587 340130027 /nfs/dbraw/zinc/13/00/27/340130027.db2.gz OXCNQWDBRBRHQG-UHFFFAOYSA-N -1 3 317.360 3.713 20 0 DHADHM CC1CCC(C)([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000504484313 340148141 /nfs/dbraw/zinc/14/81/41/340148141.db2.gz RNGCANDSSKAHRF-UHFFFAOYSA-N -1 3 319.829 3.726 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)c2ccc3nccnc3c2)c([O-])c1 ZINC000506238855 340189706 /nfs/dbraw/zinc/18/97/06/340189706.db2.gz RNBYFOUDIQRYPA-UHFFFAOYSA-N -1 3 321.380 3.885 20 0 DHADHM Cn1cnc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])ccc21 ZINC000506244303 340189833 /nfs/dbraw/zinc/18/98/33/340189833.db2.gz WKPYAFYIHPZMFH-UHFFFAOYSA-N -1 3 323.396 3.829 20 0 DHADHM CCc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1F ZINC000506294300 340191414 /nfs/dbraw/zinc/19/14/14/340191414.db2.gz JTXGILGCMZNRKM-UHFFFAOYSA-N -1 3 315.270 3.515 20 0 DHADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701907 340199913 /nfs/dbraw/zinc/19/99/13/340199913.db2.gz HKDIMHHSWQRLBT-RKDXNWHRSA-N -1 3 300.196 3.775 20 0 DHADHM COc1ccc(OCCN(C)Cc2cccc([O-])c2Cl)cc1 ZINC000507006334 340205372 /nfs/dbraw/zinc/20/53/72/340205372.db2.gz HQOQAQQLKCTSQY-UHFFFAOYSA-N -1 3 321.804 3.565 20 0 DHADHM Cc1cccc2c1CN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000507332556 340217553 /nfs/dbraw/zinc/21/75/53/340217553.db2.gz XYOPMGFVCATKDG-UHFFFAOYSA-N -1 3 301.773 3.553 20 0 DHADHM [O-]c1cccc(CN2CCCN(c3ccccc3)CC2)c1Cl ZINC000507733957 340229935 /nfs/dbraw/zinc/22/99/35/340229935.db2.gz ULGYKKRTPGSVGU-UHFFFAOYSA-N -1 3 316.832 3.758 20 0 DHADHM CN(Cc1cccc([O-])c1Cl)C[C@H]1OCCc2ccccc21 ZINC000507739768 340230091 /nfs/dbraw/zinc/23/00/91/340230091.db2.gz LTIFGOAPGBCSCH-QGZVFWFLSA-N -1 3 317.816 3.791 20 0 DHADHM Cc1ccc([C@H](C)CNC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508941996 340256001 /nfs/dbraw/zinc/25/60/01/340256001.db2.gz LKXRVUUPPYPIDH-CYBMUJFWSA-N -1 3 317.816 3.816 20 0 DHADHM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1F ZINC000509020617 340258493 /nfs/dbraw/zinc/25/84/93/340258493.db2.gz FKCUEADTCAYGFY-NSHDSACASA-N -1 3 321.779 3.913 20 0 DHADHM CC(C)(CNC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000509348703 340266826 /nfs/dbraw/zinc/26/68/26/340266826.db2.gz AZEZIUVXEFSWHQ-UHFFFAOYSA-N -1 3 303.789 3.753 20 0 DHADHM [O-]c1ccc(F)c(CNCCCn2ccc3ccccc32)c1F ZINC000509752974 340278487 /nfs/dbraw/zinc/27/84/87/340278487.db2.gz ZCDDPHJYWQRJHT-UHFFFAOYSA-N -1 3 316.351 3.805 20 0 DHADHM Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1[O-] ZINC000302813957 340282900 /nfs/dbraw/zinc/28/29/00/340282900.db2.gz MLDXNAOLQPBHDL-AWEZNQCLSA-N -1 3 317.385 3.807 20 0 DHADHM Cc1cccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1[O-] ZINC000302936160 340287788 /nfs/dbraw/zinc/28/77/88/340287788.db2.gz AFZVYBDIMDVXOH-AWEZNQCLSA-N -1 3 317.772 3.608 20 0 DHADHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1 ZINC000510222263 340293062 /nfs/dbraw/zinc/29/30/62/340293062.db2.gz KDEJAUMNLBZRIL-UHFFFAOYSA-N -1 3 321.364 3.539 20 0 DHADHM COc1c(C)cc(CN(C)C(=O)c2cccc(C)c2[O-])cc1C ZINC000303117121 340303372 /nfs/dbraw/zinc/30/33/72/340303372.db2.gz LMRXMASGZYYTTF-UHFFFAOYSA-N -1 3 313.397 3.598 20 0 DHADHM Cc1ccc([O-])c(C(=O)N2CCC(C)(c3ccccc3)CC2)c1 ZINC000510645894 340304831 /nfs/dbraw/zinc/30/48/31/340304831.db2.gz MPVYFDDHGDGIKT-UHFFFAOYSA-N -1 3 309.409 3.895 20 0 DHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C ZINC000512572662 340367351 /nfs/dbraw/zinc/36/73/51/340367351.db2.gz MERVBWUCFJYAQK-UHFFFAOYSA-N -1 3 319.426 3.730 20 0 DHADHM COCCC1(CNCc2c(F)ccc([O-])c2F)CCCCC1 ZINC000512681939 340372923 /nfs/dbraw/zinc/37/29/23/340372923.db2.gz CWTWGAMJQGEKPR-UHFFFAOYSA-N -1 3 313.388 3.747 20 0 DHADHM CC(C)(C)c1ccc(NC(=O)CCc2cncs2)c([O-])c1 ZINC000512904337 340383478 /nfs/dbraw/zinc/38/34/78/340383478.db2.gz RKZFORNFKPXTDT-UHFFFAOYSA-N -1 3 304.415 3.718 20 0 DHADHM CC(C)N(C)c1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000513006649 340388020 /nfs/dbraw/zinc/38/80/20/340388020.db2.gz AQRMNZXVFUNTGP-UHFFFAOYSA-N -1 3 320.383 3.805 20 0 DHADHM COC(=O)c1cc(NCc2c(F)ccc([O-])c2F)c(C)cc1C ZINC000513134298 340394731 /nfs/dbraw/zinc/39/47/31/340394731.db2.gz WKDFXRMNDYEVIG-UHFFFAOYSA-N -1 3 321.323 3.686 20 0 DHADHM O=C(/C=C\c1c(Cl)cccc1Cl)[N-]OCC(F)(F)F ZINC000311251835 340446042 /nfs/dbraw/zinc/44/60/42/340446042.db2.gz UBZCGFYXDYJLAO-PLNGDYQASA-N -1 3 314.090 3.617 20 0 DHADHM O=C(C/C=C/c1cccc(F)c1)N1CCCc2cccc([O-])c21 ZINC000182953516 340485997 /nfs/dbraw/zinc/48/59/97/340485997.db2.gz BLPODQDIKIWNEG-QHHAFSJGSA-N -1 3 311.356 3.914 20 0 DHADHM O=C(C=Cc1cccc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000189150267 340528002 /nfs/dbraw/zinc/52/80/02/340528002.db2.gz NMLFRWAHNMSRNG-DNGMOHDESA-N -1 3 319.360 3.512 20 0 DHADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000522040808 340563578 /nfs/dbraw/zinc/56/35/78/340563578.db2.gz JPOQOYGESSRUBU-UHFFFAOYSA-N -1 3 321.779 3.892 20 0 DHADHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(Br)c1 ZINC000229712070 340615045 /nfs/dbraw/zinc/61/50/45/340615045.db2.gz KIOIXHOYYXWULO-UHFFFAOYSA-N -1 3 306.159 3.715 20 0 DHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2F)c1 ZINC000523322241 340620445 /nfs/dbraw/zinc/62/04/45/340620445.db2.gz NTTCVWJSUXMRKH-UHFFFAOYSA-N -1 3 305.324 3.505 20 0 DHADHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523482813 340625947 /nfs/dbraw/zinc/62/59/47/340625947.db2.gz NYXVJBADAPYTDA-UKRRQHHQSA-N -1 3 308.397 3.545 20 0 DHADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000232749750 340636168 /nfs/dbraw/zinc/63/61/68/340636168.db2.gz RPGOETVZWWLNIY-UHFFFAOYSA-N -1 3 324.833 3.968 20 0 DHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000525241095 340696660 /nfs/dbraw/zinc/69/66/60/340696660.db2.gz GMTDAJSGPJKRPU-KBXCAEBGSA-N -1 3 313.784 3.888 20 0 DHADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCCC12CC2 ZINC000529127573 340745468 /nfs/dbraw/zinc/74/54/68/340745468.db2.gz FTMZDXXAJWIZAZ-SNVBAGLBSA-N -1 3 315.291 3.810 20 0 DHADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])[C@@H]1C1CC1 ZINC000529127985 340745501 /nfs/dbraw/zinc/74/55/01/340745501.db2.gz GCQXRPMSSAQNLA-WCDAPOTHSA-N -1 3 315.291 3.521 20 0 DHADHM CC(C)c1nocc1C(=O)[N-]c1cscc1Br ZINC000529449304 340756030 /nfs/dbraw/zinc/75/60/30/340756030.db2.gz ZYVLDLPQRKAPLL-UHFFFAOYSA-N -1 3 315.192 3.874 20 0 DHADHM O=C(NC12CCC(CC1)CC2)c1cc([O-])cc(Br)c1 ZINC000529456753 340756307 /nfs/dbraw/zinc/75/63/07/340756307.db2.gz CLJHITPORUQHFV-UHFFFAOYSA-N -1 3 324.218 3.607 20 0 DHADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)o1 ZINC000124199483 340797705 /nfs/dbraw/zinc/79/77/05/340797705.db2.gz SFDSHMYODZEKGP-BLLLJJGKSA-N -1 3 311.381 3.913 20 0 DHADHM O=C(CCSc1ccc(F)cc1)Nc1cccc([O-])c1F ZINC000128266192 340863941 /nfs/dbraw/zinc/86/39/41/340863941.db2.gz AZFRAGUSQGPECE-UHFFFAOYSA-N -1 3 309.337 3.791 20 0 DHADHM CC[C@H](C)n1ncc(C(=O)Nc2cccc([O-])c2F)c1C1CC1 ZINC000128455885 340886816 /nfs/dbraw/zinc/88/68/16/340886816.db2.gz LJNFPLRWSHDHEY-JTQLQIEISA-N -1 3 317.364 3.829 20 0 DHADHM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc([O-])c2F)s1 ZINC000128881669 340925241 /nfs/dbraw/zinc/92/52/41/340925241.db2.gz MKVYUIDDLAFJSS-BQYQJAHWSA-N -1 3 320.389 3.937 20 0 DHADHM COc1ccc(CCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129725638 340984679 /nfs/dbraw/zinc/98/46/79/340984679.db2.gz CPONHVVYKHMLGI-UHFFFAOYSA-N -1 3 303.333 3.501 20 0 DHADHM CCc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000542754616 341019376 /nfs/dbraw/zinc/01/93/76/341019376.db2.gz CRWGXHWBVLROJT-LBPRGKRZSA-N -1 3 323.380 3.504 20 0 DHADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000542802484 341021234 /nfs/dbraw/zinc/02/12/34/341021234.db2.gz ILQFTYMVXQTOCY-DTWKUNHWSA-N -1 3 300.196 3.775 20 0 DHADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000542817907 341021921 /nfs/dbraw/zinc/02/19/21/341021921.db2.gz VIMLQVBJYSTQNB-UHFFFAOYSA-N -1 3 319.788 3.635 20 0 DHADHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000542909509 341026076 /nfs/dbraw/zinc/02/60/76/341026076.db2.gz VHSGAJOXCGYJBZ-DGCLKSJQSA-N -1 3 311.809 3.888 20 0 DHADHM CCN(C(=O)c1c[n-]c2ccc(C)cc2c1=O)c1ccccc1 ZINC000543417758 341043490 /nfs/dbraw/zinc/04/34/90/341043490.db2.gz ADPREJXSNFOVNV-UHFFFAOYSA-N -1 3 306.365 3.503 20 0 DHADHM CCc1cccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000543685845 341053646 /nfs/dbraw/zinc/05/36/46/341053646.db2.gz QIHPDPYRTQRZEK-LBPRGKRZSA-N -1 3 323.380 3.504 20 0 DHADHM CCc1cccc(C(=O)N2CC=C(c3cccc(OC)c3)C2)c1[O-] ZINC000543719052 341055086 /nfs/dbraw/zinc/05/50/86/341055086.db2.gz OAQHCBSSRKHJOT-UHFFFAOYSA-N -1 3 323.392 3.503 20 0 DHADHM CCC[C@@H](C)N(C)Cc1ccc(OC)c([O-])c1Br ZINC000544943998 341100495 /nfs/dbraw/zinc/10/04/95/341100495.db2.gz XYRTWXFIPWPVSL-SNVBAGLBSA-N -1 3 316.239 3.784 20 0 DHADHM Cc1ccc(C(=O)[N-]c2nc(-c3sccc3C)ns2)o1 ZINC000131649020 341106119 /nfs/dbraw/zinc/10/61/19/341106119.db2.gz KAMYDLNDYIWYGI-UHFFFAOYSA-N -1 3 305.384 3.729 20 0 DHADHM [O-]c1ccc(Cc2nc(COc3ccccc3)no2)c(Cl)c1 ZINC000131895048 341113339 /nfs/dbraw/zinc/11/33/39/341113339.db2.gz ZNUJSEIIFAIBDL-UHFFFAOYSA-N -1 3 316.744 3.598 20 0 DHADHM O=C([N-]c1ccncc1F)c1csc(-c2ccc(F)cc2)n1 ZINC000132066657 341115790 /nfs/dbraw/zinc/11/57/90/341115790.db2.gz OJWPOUHIEHGCFU-UHFFFAOYSA-N -1 3 317.320 3.736 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1cc(C(F)(F)F)ccc1F ZINC000133012791 341151848 /nfs/dbraw/zinc/15/18/48/341151848.db2.gz LUPKWJNRJYKZEI-UHFFFAOYSA-N -1 3 316.254 3.956 20 0 DHADHM COc1ccc(CN(C)CC(C)(C)C)c(Br)c1[O-] ZINC000546973196 341189269 /nfs/dbraw/zinc/18/92/69/341189269.db2.gz INDXUVGBGPCUIE-UHFFFAOYSA-N -1 3 316.239 3.641 20 0 DHADHM Cc1ccc(S[C@@H](C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133153429 341158364 /nfs/dbraw/zinc/15/83/64/341158364.db2.gz CYDLEOZQOBPQBX-LBPRGKRZSA-N -1 3 319.401 3.637 20 0 DHADHM CCc1noc(C)c1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000133281528 341169454 /nfs/dbraw/zinc/16/94/54/341169454.db2.gz BPUVTSNXISUZRH-UHFFFAOYSA-N -1 3 313.382 3.921 20 0 DHADHM Cc1cccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)c1[O-] ZINC000546469085 341169774 /nfs/dbraw/zinc/16/97/74/341169774.db2.gz LXDVWEDOQSUXPA-UHFFFAOYSA-N -1 3 323.352 3.744 20 0 DHADHM CCc1cccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c1[O-] ZINC000546660403 341177628 /nfs/dbraw/zinc/17/76/28/341177628.db2.gz IZTDLLXRVLTERO-GFCCVEGCSA-N -1 3 311.381 3.814 20 0 DHADHM C[C@@H]1C[C@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000547769520 341231481 /nfs/dbraw/zinc/23/14/81/341231481.db2.gz JGQJAJIORORQMW-AOOOYVTPSA-N -1 3 315.398 3.640 20 0 DHADHM O=C(Nc1cc(Br)ccc1[O-])C1=CCCCCC1 ZINC000547837713 341236760 /nfs/dbraw/zinc/23/67/60/341236760.db2.gz KGZWYXDAGYCNBD-UHFFFAOYSA-N -1 3 310.191 3.984 20 0 DHADHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1[O-] ZINC000078270974 341239391 /nfs/dbraw/zinc/23/93/91/341239391.db2.gz JKPIWEXEMQZMGF-NSHDSACASA-N -1 3 319.788 3.887 20 0 DHADHM O=C([O-])[C@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000564336634 341242233 /nfs/dbraw/zinc/24/22/33/341242233.db2.gz CNDHVPWPLPIHTG-AWEZNQCLSA-N -1 3 315.344 3.525 20 0 DHADHM COc1cccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c1[O-] ZINC000078465242 341242591 /nfs/dbraw/zinc/24/25/91/341242591.db2.gz FVFHVCTVXZPCTQ-KRWDZBQOSA-N -1 3 323.348 3.513 20 0 DHADHM O=C([N-]c1cc(F)c(F)cc1F)c1occc1Br ZINC000081155827 341280238 /nfs/dbraw/zinc/28/02/38/341280238.db2.gz GITREBUBJHPFOQ-UHFFFAOYSA-N -1 3 320.064 3.712 20 0 DHADHM CC(=O)c1cccc(NC(=O)Cc2c[nH]c3c2cccc3C)c1[O-] ZINC000552287166 341384448 /nfs/dbraw/zinc/38/44/48/341384448.db2.gz KCLVWSYARKTCJQ-UHFFFAOYSA-N -1 3 322.364 3.566 20 0 DHADHM O=C(Nc1cccc([O-])c1F)c1cscc1Br ZINC000552393687 341391174 /nfs/dbraw/zinc/39/11/74/341391174.db2.gz GXYYLVYUDMWCFU-UHFFFAOYSA-N -1 3 316.151 3.608 20 0 DHADHM CCc1ccc([O-])c(C(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000089926709 341411085 /nfs/dbraw/zinc/41/10/85/341411085.db2.gz URPFUIDDLWLRHW-UHFFFAOYSA-N -1 3 320.392 3.634 20 0 DHADHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000251598464 341417932 /nfs/dbraw/zinc/41/79/32/341417932.db2.gz FSHKRWDRSPKXDO-HAQNSBGRSA-N -1 3 322.405 3.569 20 0 DHADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]21 ZINC000566580511 341562331 /nfs/dbraw/zinc/56/23/31/341562331.db2.gz AEDBSTKETDFPCC-GDBMZVCRSA-N -1 3 319.420 3.891 20 0 DHADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)c(F)cc(F)c1F ZINC000153628567 341576006 /nfs/dbraw/zinc/57/60/06/341576006.db2.gz FBLLRAQUDHIGAL-UHFFFAOYSA-N -1 3 319.641 3.854 20 0 DHADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000567181212 341584672 /nfs/dbraw/zinc/58/46/72/341584672.db2.gz POHQSLBVPJJCNI-VXGBXAGGSA-N -1 3 303.402 3.634 20 0 DHADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000155234477 341604584 /nfs/dbraw/zinc/60/45/84/341604584.db2.gz PAZFONJKMIBLQC-SNVBAGLBSA-N -1 3 322.767 3.745 20 0 DHADHM CCn1c2ccccc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000155845028 341613959 /nfs/dbraw/zinc/61/39/59/341613959.db2.gz VCDFIQDNFQFMNE-LLVKDONJSA-N -1 3 314.414 3.714 20 0 DHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1 ZINC000174052132 341823209 /nfs/dbraw/zinc/82/32/09/341823209.db2.gz JRQHJEHQXPQTRJ-UHFFFAOYSA-N -1 3 323.801 3.652 20 0 DHADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])C(=O)c1cccc(F)c1 ZINC000174876397 341832722 /nfs/dbraw/zinc/83/27/22/341832722.db2.gz IOYZUIQPUDMVMM-SNVBAGLBSA-N -1 3 319.307 3.518 20 0 DHADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccnc1 ZINC000175820619 341847106 /nfs/dbraw/zinc/84/71/06/341847106.db2.gz VLLJPTHXOOAQJF-SECBINFHSA-N -1 3 310.275 3.548 20 0 DHADHM COCc1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000175835705 341847808 /nfs/dbraw/zinc/84/78/08/341847808.db2.gz VGCMDHMHADRZPY-UHFFFAOYSA-N -1 3 305.761 3.753 20 0 DHADHM CO[C@H]1CCOc2c(NCc3cc([O-])cc(F)c3)cccc21 ZINC000577338761 341904908 /nfs/dbraw/zinc/90/49/08/341904908.db2.gz MAOFDMKNLNXMLU-INIZCTEOSA-N -1 3 303.333 3.613 20 0 DHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@H]2CCOC2)no1 ZINC000577903299 341947713 /nfs/dbraw/zinc/94/77/13/341947713.db2.gz DPZJUUMMVZLXJR-HNNXBMFYSA-N -1 3 322.364 3.537 20 0 DHADHM O=C(Nc1cc(F)ccc1[O-])c1csc(-c2ccoc2)n1 ZINC000178326451 341951675 /nfs/dbraw/zinc/95/16/75/341951675.db2.gz HRHTZHPMVBQWBM-UHFFFAOYSA-N -1 3 304.302 3.500 20 0 DHADHM c1ccc(-c2n[n-]nc2-c2nc(C3CCCCCC3)no2)cc1 ZINC000578013134 341970479 /nfs/dbraw/zinc/97/04/79/341970479.db2.gz DTDDQCKKYJWIPQ-UHFFFAOYSA-N -1 3 309.373 3.960 20 0 DHADHM CC(C)Cc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000350659437 517433354 /nfs/dbraw/zinc/43/33/54/517433354.db2.gz MQSPOTJOXOLLQM-UHFFFAOYSA-N -1 3 301.824 3.704 20 0 DHADHM CC(C)c1noc([N-]Cc2csc(-c3ccsc3)n2)n1 ZINC000181983795 519906315 /nfs/dbraw/zinc/90/63/15/519906315.db2.gz NGEAFRAYMVRODY-UHFFFAOYSA-N -1 3 306.416 3.990 20 0 DHADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182468212 519926361 /nfs/dbraw/zinc/92/63/61/519926361.db2.gz UDQBDDQJKKOSRH-ZDUSSCGKSA-N -1 3 323.396 3.814 20 0 DHADHM CCOCc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000102472981 520205233 /nfs/dbraw/zinc/20/52/33/520205233.db2.gz CFXPDJSZAURTHD-UHFFFAOYSA-N -1 3 321.380 3.866 20 0 DHADHM CC[C@@H](C)Oc1cc(C(=O)Nc2c(C)cccc2[O-])ccn1 ZINC000183074351 522258590 /nfs/dbraw/zinc/25/85/90/522258590.db2.gz GGSIZUPBSKPSJP-GFCCVEGCSA-N -1 3 300.358 3.525 20 0 DHADHM CCc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000156599708 522775744 /nfs/dbraw/zinc/77/57/44/522775744.db2.gz ZJSMCKQGOBIVQD-UHFFFAOYSA-N -1 3 319.283 3.511 20 0 DHADHM CCc1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)ccc1[O-] ZINC000365959407 523777966 /nfs/dbraw/zinc/77/79/66/523777966.db2.gz GQKRBGJXAXMUOY-UHFFFAOYSA-N -1 3 307.353 3.597 20 0 DHADHM CC[C@H](C)C(=O)Cc1nc(=O)c2c3c(sc2[n-]1)SCCC3 ZINC000265836526 523822386 /nfs/dbraw/zinc/82/23/86/523822386.db2.gz NHDFEPVANRXXPP-QMMMGPOBSA-N -1 3 322.455 3.593 20 0 DHADHM C[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338921434 524596198 /nfs/dbraw/zinc/59/61/98/524596198.db2.gz NQLUGLKRKYEMDJ-NXEZZACHSA-N -1 3 301.308 3.577 20 0 DHADHM Cc1cccc(NC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000157773352 524671267 /nfs/dbraw/zinc/67/12/67/524671267.db2.gz CHPZEWCMEJOITC-UHFFFAOYSA-N -1 3 324.424 3.726 20 0 DHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000337152881 525082758 /nfs/dbraw/zinc/08/27/58/525082758.db2.gz LIWDUMUSUZABJW-UHFFFAOYSA-N -1 3 321.373 3.513 20 0 DHADHM CSCc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000157909691 525745261 /nfs/dbraw/zinc/74/52/61/525745261.db2.gz JRQCENZHKVQJJM-UHFFFAOYSA-N -1 3 308.325 3.555 20 0 DHADHM CSCc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157909691 525745273 /nfs/dbraw/zinc/74/52/73/525745273.db2.gz JRQCENZHKVQJJM-UHFFFAOYSA-N -1 3 308.325 3.555 20 0 DHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000338149364 525959584 /nfs/dbraw/zinc/95/95/84/525959584.db2.gz TYZALKWWMNZXCL-UHFFFAOYSA-N -1 3 323.389 3.659 20 0 DHADHM CSc1ccccc1[C@@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000337376334 526188241 /nfs/dbraw/zinc/18/82/41/526188241.db2.gz RUOPBGCQAHJNOW-NEPJUHHUSA-N -1 3 303.431 3.624 20 0 DHADHM O=C(c1cccc([O-])c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000338297373 526769748 /nfs/dbraw/zinc/76/97/48/526769748.db2.gz PITZIUSUAQHUIY-QGZVFWFLSA-N -1 3 319.763 3.757 20 0 DHADHM O=[S@@](C=C([O-])c1ccc[nH]1)C(c1ccccc1)c1ccccc1 ZINC000339154444 527191487 /nfs/dbraw/zinc/19/14/87/527191487.db2.gz PGPZYYDQZPVHKF-QHCPKHFHSA-N -1 3 323.417 3.736 20 0 DHADHM O=C(Nc1csc2ccccc12)c1n[n-]nc1-c1ccccc1 ZINC000338415976 527496149 /nfs/dbraw/zinc/49/61/49/527496149.db2.gz ZVULUYCMXAZSKJ-UHFFFAOYSA-N -1 3 320.377 3.939 20 0 DHADHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339302858 527502968 /nfs/dbraw/zinc/50/29/68/527502968.db2.gz RACIWGXDKPFYTL-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339302858 527502974 /nfs/dbraw/zinc/50/29/74/527502974.db2.gz RACIWGXDKPFYTL-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339302858 527502978 /nfs/dbraw/zinc/50/29/78/527502978.db2.gz RACIWGXDKPFYTL-FRRDWIJNSA-N -1 3 314.389 3.610 20 0 DHADHM COc1cc(C)cc(-c2nc([C@H]3CCCCS3)no2)c1[O-] ZINC000273857262 536627098 /nfs/dbraw/zinc/62/70/98/536627098.db2.gz BYBKJFPLMFABNA-GFCCVEGCSA-N -1 3 306.387 3.717 20 0 DHADHM COc1cc(C)cc(-c2nc(Cc3ccc(C)s3)no2)c1[O-] ZINC000289247884 536627214 /nfs/dbraw/zinc/62/72/14/536627214.db2.gz YDLUNNQMQACFEH-UHFFFAOYSA-N -1 3 316.382 3.720 20 0 DHADHM C[C@H](SCCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187973 599008889 /nfs/dbraw/zinc/00/88/89/599008889.db2.gz FMNAXMANQUJAAP-QMMMGPOBSA-N -1 3 302.325 3.613 20 0 DHADHM C[C@H](SCCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187973 599008890 /nfs/dbraw/zinc/00/88/90/599008890.db2.gz FMNAXMANQUJAAP-QMMMGPOBSA-N -1 3 302.325 3.613 20 0 DHADHM Cc1cccc(F)c1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822308715 599068228 /nfs/dbraw/zinc/06/82/28/599068228.db2.gz IYXHANYAALQAFO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(F)c1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822308715 599068231 /nfs/dbraw/zinc/06/82/31/599068231.db2.gz IYXHANYAALQAFO-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(F)c1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822309205 599068385 /nfs/dbraw/zinc/06/83/85/599068385.db2.gz PRKYTJHQGZWRCR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1cccc(F)c1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822309205 599068387 /nfs/dbraw/zinc/06/83/87/599068387.db2.gz PRKYTJHQGZWRCR-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Fc1ccc(F)c(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737661505 599170382 /nfs/dbraw/zinc/17/03/82/599170382.db2.gz XWYWILADOCOBPA-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(F)c(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737661505 599170384 /nfs/dbraw/zinc/17/03/84/599170384.db2.gz XWYWILADOCOBPA-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM C[C@H](CCc1ccco1)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC000820253195 599296497 /nfs/dbraw/zinc/29/64/97/599296497.db2.gz GTDBMXGEUAWRLT-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM C[C@H](Sc1ncccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190330 599286770 /nfs/dbraw/zinc/28/67/70/599286770.db2.gz DACURYCJSZTLNV-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM C[C@H](Sc1ncccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190330 599286773 /nfs/dbraw/zinc/28/67/73/599286773.db2.gz DACURYCJSZTLNV-VIFPVBQESA-N -1 3 317.805 3.768 20 0 DHADHM COc1ccccc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737155616 599290566 /nfs/dbraw/zinc/29/05/66/599290566.db2.gz KEGSZCDAFNJLPS-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM COc1ccccc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737155616 599290567 /nfs/dbraw/zinc/29/05/67/599290567.db2.gz KEGSZCDAFNJLPS-LLVKDONJSA-N -1 3 312.398 3.729 20 0 DHADHM CCc1nc2c(s1)[C@H](NCc1cccc(C(=O)[O-])c1)CCC2 ZINC000820492793 598192363 /nfs/dbraw/zinc/19/23/63/598192363.db2.gz RBADCJSAQUUAQH-CYBMUJFWSA-N -1 3 316.426 3.571 20 0 DHADHM Cc1ccc(N(Cc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000737353475 598251777 /nfs/dbraw/zinc/25/17/77/598251777.db2.gz RZUYFWSTFCQNKY-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Cc1ccc(N(Cc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000737353475 598251779 /nfs/dbraw/zinc/25/17/79/598251779.db2.gz RZUYFWSTFCQNKY-UHFFFAOYSA-N -1 3 307.401 3.590 20 0 DHADHM Clc1cccc(NCCCc2ccccc2)c1-c1nnn[n-]1 ZINC000737576634 598493424 /nfs/dbraw/zinc/49/34/24/598493424.db2.gz ZUNIHVQSPDFLCM-UHFFFAOYSA-N -1 3 313.792 3.565 20 0 DHADHM Clc1cccc(NCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000737576634 598493425 /nfs/dbraw/zinc/49/34/25/598493425.db2.gz ZUNIHVQSPDFLCM-UHFFFAOYSA-N -1 3 313.792 3.565 20 0 DHADHM CSCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737186913 598592392 /nfs/dbraw/zinc/59/23/92/598592392.db2.gz LNWRRMCQYDGYDJ-UHFFFAOYSA-N -1 3 315.377 3.612 20 0 DHADHM CSCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737186913 598592393 /nfs/dbraw/zinc/59/23/93/598592393.db2.gz LNWRRMCQYDGYDJ-UHFFFAOYSA-N -1 3 315.377 3.612 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000737368520 598642915 /nfs/dbraw/zinc/64/29/15/598642915.db2.gz LTYCMTIUFJSSPM-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM Cc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000737368520 598642917 /nfs/dbraw/zinc/64/29/17/598642917.db2.gz LTYCMTIUFJSSPM-UHFFFAOYSA-N -1 3 314.389 3.915 20 0 DHADHM C[C@H](CCc1ccco1)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC000820253195 599296495 /nfs/dbraw/zinc/29/64/95/599296495.db2.gz GTDBMXGEUAWRLT-SNVBAGLBSA-N -1 3 317.780 3.546 20 0 DHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821983114 599364036 /nfs/dbraw/zinc/36/40/36/599364036.db2.gz DUCSDIKIYIAZBZ-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821983114 599364038 /nfs/dbraw/zinc/36/40/38/599364038.db2.gz DUCSDIKIYIAZBZ-LLVKDONJSA-N -1 3 311.414 3.762 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000820455354 599470628 /nfs/dbraw/zinc/47/06/28/599470628.db2.gz HNXURMFSEOPZAR-ZETCQYMHSA-N -1 3 323.784 3.894 20 0 DHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000820455354 599470631 /nfs/dbraw/zinc/47/06/31/599470631.db2.gz HNXURMFSEOPZAR-ZETCQYMHSA-N -1 3 323.784 3.894 20 0 DHADHM O=C([O-])CN(C/C=C\c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739783862 599878791 /nfs/dbraw/zinc/87/87/91/599878791.db2.gz RHKIJYIYTYTYMO-DAXSKMNVSA-N -1 3 317.335 3.565 20 0 DHADHM C[C@@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CC(C)(C)O1 ZINC000315605797 599936664 /nfs/dbraw/zinc/93/66/64/599936664.db2.gz QENBCCGADPVMJO-LLVKDONJSA-N -1 3 319.426 3.599 20 0 DHADHM Cc1oc(-c2ccsc2)nc1CN(CCC(=O)[O-])CC(C)C ZINC000563283630 599937213 /nfs/dbraw/zinc/93/72/13/599937213.db2.gz RVYHGZOLOPWKSH-UHFFFAOYSA-N -1 3 322.430 3.644 20 0 DHADHM CCC[C@@](C)(NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000036808379 600321168 /nfs/dbraw/zinc/32/11/68/600321168.db2.gz RARATVDNXDUIHZ-CQSZACIVSA-N -1 3 310.444 3.605 20 0 DHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000736662073 600416725 /nfs/dbraw/zinc/41/67/25/600416725.db2.gz LHYLWOXGIIOJKU-BMIGLBTASA-N -1 3 307.752 3.956 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccc(F)cc1 ZINC000739505116 600428525 /nfs/dbraw/zinc/42/85/25/600428525.db2.gz ATZNYVFBZHTJAR-JKSUJKDBSA-N -1 3 319.763 3.882 20 0 DHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951508 600429940 /nfs/dbraw/zinc/42/99/40/600429940.db2.gz WLVKHLUWIRGYOH-BZNIZROVSA-N -1 3 319.788 3.825 20 0 DHADHM O=C([O-])[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000739510183 600436142 /nfs/dbraw/zinc/43/61/42/600436142.db2.gz XKMDMPNWJXNAJF-JKSUJKDBSA-N -1 3 319.763 3.882 20 0 DHADHM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832877655 600744369 /nfs/dbraw/zinc/74/43/69/600744369.db2.gz MCVLNACAABMGFE-QGZVFWFLSA-N -1 3 301.361 3.666 20 0 DHADHM CCO[C@H]1C[C@H](N(C)Cc2occc2C(=O)[O-])C12CCCCC2 ZINC000520241883 600973038 /nfs/dbraw/zinc/97/30/38/600973038.db2.gz PLBMWWPBTKKPTD-HOTGVXAUSA-N -1 3 321.417 3.538 20 0 DHADHM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H]1C ZINC000828295553 601566544 /nfs/dbraw/zinc/56/65/44/601566544.db2.gz JPUDHUZFSFZLRH-VXGBXAGGSA-N -1 3 316.426 3.739 20 0 DHADHM COc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000572180815 601616648 /nfs/dbraw/zinc/61/66/48/601616648.db2.gz NXQANWNAJZKEPA-GFCCVEGCSA-N -1 3 317.360 3.726 20 0 DHADHM Cc1ccccc1CN(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000832980218 601623482 /nfs/dbraw/zinc/62/34/82/601623482.db2.gz YNEWQXWKCFTHKP-UHFFFAOYSA-N -1 3 313.372 3.997 20 0 DHADHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1cccc(O)c1 ZINC000829718430 601641548 /nfs/dbraw/zinc/64/15/48/601641548.db2.gz KRZWYSDBCJNXHZ-GFCCVEGCSA-N -1 3 317.360 3.813 20 0 DHADHM O=C([O-])N[C@@H](CNCc1cc2ccccc2o1)c1ccccc1 ZINC000832141890 603176481 /nfs/dbraw/zinc/17/64/81/603176481.db2.gz XMXKMUGLGQAPEI-INIZCTEOSA-N -1 3 310.353 3.531 20 0 DHADHM CC(C)(C)c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000823859405 603543665 /nfs/dbraw/zinc/54/36/65/603543665.db2.gz OIHXUYQDWNOYBV-UHFFFAOYSA-N -1 3 313.401 3.759 20 0 DHADHM CCc1ccc(C(C)(C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000827578108 603565902 /nfs/dbraw/zinc/56/59/02/603565902.db2.gz VHNQJQZGLYZZOK-UHFFFAOYSA-N -1 3 313.401 3.759 20 0 DHADHM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263437917 604524443 /nfs/dbraw/zinc/52/44/43/604524443.db2.gz VHBZDNNBLANRSU-AWEZNQCLSA-N -1 3 305.374 3.603 20 0 DHADHM CC(C)N(Cc1ccco1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833538799 604530775 /nfs/dbraw/zinc/53/07/75/604530775.db2.gz VSFZMCWSNKBGFO-AWEZNQCLSA-N -1 3 317.385 3.542 20 0 DHADHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000826105342 604628551 /nfs/dbraw/zinc/62/85/51/604628551.db2.gz BHICMQOXLIXGED-MRXNPFEDSA-N -1 3 319.351 3.907 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H]2c2ccccc2Cl)O1 ZINC000833586097 604826943 /nfs/dbraw/zinc/82/69/43/604826943.db2.gz XBPRDNXKAGFRRU-BLLLJJGKSA-N -1 3 321.804 3.624 20 0 DHADHM CC(C)Oc1cccc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000652437618 605050863 /nfs/dbraw/zinc/05/08/63/605050863.db2.gz YURPGAYBILAVEX-CYBMUJFWSA-N -1 3 317.385 3.958 20 0 DHADHM CC(C)(C)OCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833445687 605063923 /nfs/dbraw/zinc/06/39/23/605063923.db2.gz LSDMVPNPKNJSEQ-GFCCVEGCSA-N -1 3 320.216 3.524 20 0 DHADHM CCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000833663429 605067204 /nfs/dbraw/zinc/06/72/04/605067204.db2.gz JFZXDWBIPDLMQR-NSHDSACASA-N -1 3 305.399 3.696 20 0 DHADHM CC(C)(C)Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000076273405 605086212 /nfs/dbraw/zinc/08/62/12/605086212.db2.gz BHUARZLLVWXGRN-UHFFFAOYSA-N -1 3 313.397 3.852 20 0 DHADHM C/C(=C\CN[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000833383329 605144236 /nfs/dbraw/zinc/14/42/36/605144236.db2.gz MBDVLBUYLCXWKH-BJRSVTDJSA-N -1 3 313.372 3.730 20 0 DHADHM CCc1ccc(C(C)(C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000833669433 605145758 /nfs/dbraw/zinc/14/57/58/605145758.db2.gz FGLRMLSPUZYOSE-UHFFFAOYSA-N -1 3 301.386 3.874 20 0 DHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccoc1C(=O)[O-] ZINC000833617465 605217360 /nfs/dbraw/zinc/21/73/60/605217360.db2.gz RXKRZKSUBIIQHF-ZUZCIYMTSA-N -1 3 303.333 3.530 20 0 DHADHM CC(C)C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccccn1 ZINC000833484740 605269977 /nfs/dbraw/zinc/26/99/77/605269977.db2.gz RJGOZPFHWONEBN-GOSISDBHSA-N -1 3 312.413 3.586 20 0 DHADHM CCc1cnccc1[C@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000833674862 605270635 /nfs/dbraw/zinc/27/06/35/605270635.db2.gz VHYLPKOCDQQPDS-JTQLQIEISA-N -1 3 304.415 3.563 20 0 DHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000833584504 605315299 /nfs/dbraw/zinc/31/52/99/605315299.db2.gz NPULTKIDMMRFCZ-ZBFHGGJFSA-N -1 3 321.804 3.624 20 0 DHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2c2ccc(F)cc2)O1 ZINC000833585754 605353321 /nfs/dbraw/zinc/35/33/21/605353321.db2.gz UWZHWYIHIUVKKB-RDJZCZTQSA-N -1 3 319.376 3.500 20 0 DHADHM C[C@@H](Nc1nc2ccccc2cc1-c1nnn[n-]1)c1cccs1 ZINC000820461404 606025781 /nfs/dbraw/zinc/02/57/81/606025781.db2.gz JMHGSLJNILUEAH-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C[C@@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1cccs1 ZINC000820461404 606025787 /nfs/dbraw/zinc/02/57/87/606025787.db2.gz JMHGSLJNILUEAH-SNVBAGLBSA-N -1 3 322.397 3.650 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000819709779 606301821 /nfs/dbraw/zinc/30/18/21/606301821.db2.gz OURFEMOGDKAJBA-WAYWQWQTSA-N -1 3 311.395 3.708 20 0 DHADHM C(=Cc1nc2ccccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000819709779 606301823 /nfs/dbraw/zinc/30/18/23/606301823.db2.gz OURFEMOGDKAJBA-WAYWQWQTSA-N -1 3 311.395 3.708 20 0 DHADHM Cc1cc2cc(C=Cc3ccc(-c4nnn[n-]4)cn3)oc2cc1C ZINC000822212677 606618768 /nfs/dbraw/zinc/61/87/68/606618768.db2.gz BKWISMMSGPVIIX-WAYWQWQTSA-N -1 3 317.352 3.795 20 0 DHADHM Cc1cc2cc(C=Cc3ccc(-c4nn[n-]n4)cn3)oc2cc1C ZINC000822212677 606618770 /nfs/dbraw/zinc/61/87/70/606618770.db2.gz BKWISMMSGPVIIX-WAYWQWQTSA-N -1 3 317.352 3.795 20 0 DHADHM Fc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822775280 606627570 /nfs/dbraw/zinc/62/75/70/606627570.db2.gz UFYUEQXZEYBYES-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Fc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822775280 606627572 /nfs/dbraw/zinc/62/75/72/606627572.db2.gz UFYUEQXZEYBYES-UHFFFAOYSA-N -1 3 322.315 3.576 20 0 DHADHM Clc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000822578828 606632739 /nfs/dbraw/zinc/63/27/39/606632739.db2.gz QKGSNMYJESURPM-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Clc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822578828 606632740 /nfs/dbraw/zinc/63/27/40/606632740.db2.gz QKGSNMYJESURPM-UHFFFAOYSA-N -1 3 320.183 3.786 20 0 DHADHM Cc1ccc(Cl)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822239913 606777306 /nfs/dbraw/zinc/77/73/06/606777306.db2.gz KLCXGCOIQNAMCN-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM Cc1ccc(Cl)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822239913 606777307 /nfs/dbraw/zinc/77/73/07/606777307.db2.gz KLCXGCOIQNAMCN-UHFFFAOYSA-N -1 3 317.755 3.580 20 0 DHADHM FC(F)(F)CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822714326 606902643 /nfs/dbraw/zinc/90/26/43/606902643.db2.gz LEOCFLQFSQHRJQ-UHFFFAOYSA-N -1 3 308.716 3.565 20 0 DHADHM FC(F)(F)CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822714326 606902645 /nfs/dbraw/zinc/90/26/45/606902645.db2.gz LEOCFLQFSQHRJQ-UHFFFAOYSA-N -1 3 308.716 3.565 20 0 DHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000820555333 607014847 /nfs/dbraw/zinc/01/48/47/607014847.db2.gz JLDJUMWEIYCMNZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000820555333 607014849 /nfs/dbraw/zinc/01/48/49/607014849.db2.gz JLDJUMWEIYCMNZ-SECBINFHSA-N -1 3 318.352 3.998 20 0 DHADHM C[C@@H]1CCCC[C@@H]1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000820703384 607015088 /nfs/dbraw/zinc/01/50/88/607015088.db2.gz FIXDELRREGLZAP-DOMZBBRYSA-N -1 3 318.446 3.554 20 0 DHADHM C[C@@H]1CCCC[C@@H]1OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000820703384 607015090 /nfs/dbraw/zinc/01/50/90/607015090.db2.gz FIXDELRREGLZAP-DOMZBBRYSA-N -1 3 318.446 3.554 20 0 DHADHM Cc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822270957 607038137 /nfs/dbraw/zinc/03/81/37/607038137.db2.gz FQHXAUUEMMRLQD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM Cc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822270957 607038138 /nfs/dbraw/zinc/03/81/38/607038138.db2.gz FQHXAUUEMMRLQD-UHFFFAOYSA-N -1 3 300.362 3.607 20 0 DHADHM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821455378 607234916 /nfs/dbraw/zinc/23/49/16/607234916.db2.gz JWHNTEIIEWLKRZ-STQMWFEESA-N -1 3 323.853 3.606 20 0 DHADHM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821455378 607234917 /nfs/dbraw/zinc/23/49/17/607234917.db2.gz JWHNTEIIEWLKRZ-STQMWFEESA-N -1 3 323.853 3.606 20 0 DHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCCCC(F)(F)F ZINC000826243050 607783934 /nfs/dbraw/zinc/78/39/34/607783934.db2.gz RQRFRXSHYBEVJQ-UHFFFAOYSA-N -1 3 314.311 3.595 20 0 DHADHM C[C@@H](CSc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824450058 607844342 /nfs/dbraw/zinc/84/43/42/607844342.db2.gz RJFNNYDCMSFZAI-LURJTMIESA-N -1 3 322.743 3.811 20 0 DHADHM C[C@@H](CSc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824450058 607844343 /nfs/dbraw/zinc/84/43/43/607844343.db2.gz RJFNNYDCMSFZAI-LURJTMIESA-N -1 3 322.743 3.811 20 0 DHADHM FC1(F)CCC(Nc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826370073 608053098 /nfs/dbraw/zinc/05/30/98/608053098.db2.gz CGJDNAIPCLPVPL-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM FC1(F)CCC(Nc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826370073 608053099 /nfs/dbraw/zinc/05/30/99/608053099.db2.gz CGJDNAIPCLPVPL-UHFFFAOYSA-N -1 3 313.739 3.510 20 0 DHADHM Cc1cnc([C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317969 608154148 /nfs/dbraw/zinc/15/41/48/608154148.db2.gz RBHMBENRQNFWFW-MNOVXSKESA-N -1 3 315.402 3.719 20 0 DHADHM Cc1cnc([C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317969 608154149 /nfs/dbraw/zinc/15/41/49/608154149.db2.gz RBHMBENRQNFWFW-MNOVXSKESA-N -1 3 315.402 3.719 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826291696 609161467 /nfs/dbraw/zinc/16/14/67/609161467.db2.gz RFPDQFIQTYJILJ-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826291696 609161469 /nfs/dbraw/zinc/16/14/69/609161469.db2.gz RFPDQFIQTYJILJ-QGZVFWFLSA-N -1 3 305.385 3.665 20 0 DHADHM CCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825721713 609162427 /nfs/dbraw/zinc/16/24/27/609162427.db2.gz AAKRBPNJRXYQCI-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825721713 609162429 /nfs/dbraw/zinc/16/24/29/609162429.db2.gz AAKRBPNJRXYQCI-LLVKDONJSA-N -1 3 311.364 3.741 20 0 DHADHM CCCOc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825341400 609236888 /nfs/dbraw/zinc/23/68/88/609236888.db2.gz CDNAGXWFHYHLGV-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM CCCOc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825341400 609236889 /nfs/dbraw/zinc/23/68/89/609236889.db2.gz CDNAGXWFHYHLGV-CYBMUJFWSA-N -1 3 323.400 3.829 20 0 DHADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826241140 609273938 /nfs/dbraw/zinc/27/39/38/609273938.db2.gz STBUAAUMTLXBOU-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM Cc1c(F)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826241140 609273939 /nfs/dbraw/zinc/27/39/39/609273939.db2.gz STBUAAUMTLXBOU-JTQLQIEISA-N -1 3 315.327 3.626 20 0 DHADHM C[C@H](Nc1ccc2ncsc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662546 609276443 /nfs/dbraw/zinc/27/64/43/609276443.db2.gz MPWLZGFBIXSLKO-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Nc1ccc2ncsc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662546 609276444 /nfs/dbraw/zinc/27/64/44/609276444.db2.gz MPWLZGFBIXSLKO-JTQLQIEISA-N -1 3 322.397 3.650 20 0 DHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2o1 ZINC000824755218 609309185 /nfs/dbraw/zinc/30/91/85/609309185.db2.gz KENDANBFGDNEPA-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1 ZINC000824755218 609309187 /nfs/dbraw/zinc/30/91/87/609309187.db2.gz KENDANBFGDNEPA-JTQLQIEISA-N -1 3 323.381 3.861 20 0 DHADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826289583 609350056 /nfs/dbraw/zinc/35/00/56/609350056.db2.gz GFDBFTCNPWRAKN-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(F)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826289583 609350058 /nfs/dbraw/zinc/35/00/58/609350058.db2.gz GFDBFTCNPWRAKN-SNVBAGLBSA-N -1 3 315.327 3.626 20 0 DHADHM Cc1ccc(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826284923 609350627 /nfs/dbraw/zinc/35/06/27/609350627.db2.gz KFPRWDDJZGWLDP-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM Cc1ccc(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826284923 609350629 /nfs/dbraw/zinc/35/06/29/609350629.db2.gz KFPRWDDJZGWLDP-LBPRGKRZSA-N -1 3 311.364 3.796 20 0 DHADHM