smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)cc(C[NH+]2CC(C)(O)C2)c1O ZINC001238056151 980133785 /nfs/dbraw/zinc/13/37/85/980133785.db2.gz DYMIVJLGCSVGLD-UHFFFAOYSA-N 1 2 225.263 1.406 20 10 BDCDLO Oc1ccc(F)cc1C[NH2+]Cc1csnn1 ZINC000398334175 958214787 /nfs/dbraw/zinc/21/47/87/958214787.db2.gz OOHWQWCZQPXBFR-UHFFFAOYSA-N 1 2 239.275 1.673 20 10 BDCDLO Oc1ccc(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141162501 960898493 /nfs/dbraw/zinc/89/84/93/960898493.db2.gz VCLCNWMUJJAFLR-PWSUYJOCSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1ccc(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141162501 960898494 /nfs/dbraw/zinc/89/84/94/960898494.db2.gz VCLCNWMUJJAFLR-PWSUYJOCSA-N 1 2 221.256 1.071 20 10 BDCDLO CCN(Cc1ccccc1O)c1cc(N)nc[nH+]1 ZINC001154889371 962884023 /nfs/dbraw/zinc/88/40/23/962884023.db2.gz XTSRRQUXGQNGGY-UHFFFAOYSA-N 1 2 244.298 1.791 20 10 BDCDLO CC(F)(F)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000697594169 964329448 /nfs/dbraw/zinc/32/94/48/964329448.db2.gz LMKRBTACSYPKMB-UHFFFAOYSA-N 1 2 245.225 1.866 20 10 BDCDLO Oc1cc(F)cc(F)c1CN1CCC[NH2+]CC1 ZINC001204668053 967125181 /nfs/dbraw/zinc/12/51/81/967125181.db2.gz SBEKKZDOTIKGNX-UHFFFAOYSA-N 1 2 242.269 1.466 20 10 BDCDLO CO[C@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831774 967822461 /nfs/dbraw/zinc/82/24/61/967822461.db2.gz MTJUMQKBUGVRFQ-JQWIXIFHSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831774 967822465 /nfs/dbraw/zinc/82/24/65/967822465.db2.gz MTJUMQKBUGVRFQ-JQWIXIFHSA-N 1 2 243.253 1.700 20 10 BDCDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)C[C@H]1[NH3+] ZINC001206058900 968024130 /nfs/dbraw/zinc/02/41/30/968024130.db2.gz XKLUATMKSYTKSG-RDDDGLTNSA-N 1 2 242.269 1.449 20 10 BDCDLO Oc1cc(C[NH+]2CC3(CCC3)C2)cc(O)c1O ZINC001233014410 978415236 /nfs/dbraw/zinc/41/52/36/978415236.db2.gz TWEHWVDHFRVJKJ-UHFFFAOYSA-N 1 2 235.283 1.789 20 10 BDCDLO CC1(CO)C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332362 978567227 /nfs/dbraw/zinc/56/72/27/978567227.db2.gz INOZLSBTNDWHRS-UHFFFAOYSA-N 1 2 243.253 1.485 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@]12C[C@H]1COC2 ZINC000718091058 984389155 /nfs/dbraw/zinc/38/91/55/984389155.db2.gz FXNVFJZONLLCRC-CABZTGNLSA-N 1 2 239.702 1.924 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CCCC12COC2 ZINC001138127797 990885768 /nfs/dbraw/zinc/88/57/68/990885768.db2.gz QPCJXCULCKQLRG-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CCCC12COC2 ZINC001138127797 990885771 /nfs/dbraw/zinc/88/57/71/990885771.db2.gz QPCJXCULCKQLRG-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Cc1nc([C@@H](C)[NH2+]Cc2ccccc2O)no1 ZINC001261186872 992188561 /nfs/dbraw/zinc/18/85/61/992188561.db2.gz RSDCHECWXRWTOU-MRVPVSSYSA-N 1 2 233.271 1.934 20 10 BDCDLO OCCC[NH2+]Cc1cccc(Cl)c1O ZINC000157754787 183059353 /nfs/dbraw/zinc/05/93/53/183059353.db2.gz IIGDEHYRAZBXSB-UHFFFAOYSA-N 1 2 215.680 1.518 20 10 BDCDLO OC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000132499683 183124099 /nfs/dbraw/zinc/12/40/99/183124099.db2.gz AAZUEZRNNUAJGC-SECBINFHSA-N 1 2 241.718 1.860 20 10 BDCDLO OC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000132499683 183124101 /nfs/dbraw/zinc/12/41/01/183124101.db2.gz AAZUEZRNNUAJGC-SECBINFHSA-N 1 2 241.718 1.860 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366563538 183275455 /nfs/dbraw/zinc/27/54/55/183275455.db2.gz YDBJRPSYVSXILU-PWSUYJOCSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366563538 183275457 /nfs/dbraw/zinc/27/54/57/183275457.db2.gz YDBJRPSYVSXILU-PWSUYJOCSA-N 1 2 223.247 1.504 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(OC)ccc1O ZINC000179710234 385486117 /nfs/dbraw/zinc/48/61/17/385486117.db2.gz MBKVQFUNGSBFLJ-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000179710234 385486118 /nfs/dbraw/zinc/48/61/18/385486118.db2.gz MBKVQFUNGSBFLJ-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000162826117 397958812 /nfs/dbraw/zinc/95/88/12/397958812.db2.gz FJMVWYLFCNOFOC-VIFPVBQESA-N 1 2 229.707 1.906 20 10 BDCDLO COc1ccc(O)c(C[NH2+]CC(F)(F)CO)c1 ZINC000185661423 175159131 /nfs/dbraw/zinc/15/91/31/175159131.db2.gz LWZSJKHOXUYSBY-UHFFFAOYSA-N 1 2 247.241 1.118 20 10 BDCDLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=CC(=O)CS1 ZINC000857980048 588927491 /nfs/dbraw/zinc/92/74/91/588927491.db2.gz SAQHJEWHXAVMLP-MRVPVSSYSA-N 1 2 249.295 1.525 20 10 BDCDLO COCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756339204 585317893 /nfs/dbraw/zinc/31/78/93/585317893.db2.gz CJDXCMDCRLDQFL-MRVPVSSYSA-N 1 2 240.259 1.597 20 10 BDCDLO COc1ccc(N2CC[NH+](CCF)CC2)cc1 ZINC000759328542 585367601 /nfs/dbraw/zinc/36/76/01/585367601.db2.gz KMNBPZLEFCKJNX-UHFFFAOYSA-N 1 2 238.306 1.787 20 10 BDCDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1O ZINC000774064561 585649477 /nfs/dbraw/zinc/64/94/77/585649477.db2.gz KUTBIIOTLXKARV-UHFFFAOYSA-N 1 2 245.282 1.364 20 10 BDCDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccccc1O ZINC000775987318 585688797 /nfs/dbraw/zinc/68/87/97/585688797.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccccc1O ZINC000775987318 585688798 /nfs/dbraw/zinc/68/87/98/585688798.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 1 2 234.343 1.917 20 10 BDCDLO C[N@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000816484421 586735692 /nfs/dbraw/zinc/73/56/92/586735692.db2.gz BOXYXFUZVDQIFA-UHFFFAOYSA-N 1 2 246.669 1.102 20 10 BDCDLO C[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O ZINC000816484421 586735693 /nfs/dbraw/zinc/73/56/93/586735693.db2.gz BOXYXFUZVDQIFA-UHFFFAOYSA-N 1 2 246.669 1.102 20 10 BDCDLO C[NH2+]CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953870 586849189 /nfs/dbraw/zinc/84/91/89/586849189.db2.gz VOZGGIFPNRLIQY-MRVPVSSYSA-N 1 2 239.275 1.170 20 10 BDCDLO C[C@@H]([NH2+]C/C=C/CO)c1cc(F)cc(F)c1O ZINC000850510712 588555305 /nfs/dbraw/zinc/55/53/05/588555305.db2.gz ZSDCAGVEYXHOSJ-UFUPEUMYSA-N 1 2 243.253 1.870 20 10 BDCDLO Oc1c(C[N@H+]2CCC[C@H](O)C2)ccc(F)c1F ZINC000876527346 590209058 /nfs/dbraw/zinc/20/90/58/590209058.db2.gz AXEDMAKIUSPEPL-VIFPVBQESA-N 1 2 243.253 1.627 20 10 BDCDLO Oc1c(C[N@@H+]2CCC[C@H](O)C2)ccc(F)c1F ZINC000876527346 590209060 /nfs/dbraw/zinc/20/90/60/590209060.db2.gz AXEDMAKIUSPEPL-VIFPVBQESA-N 1 2 243.253 1.627 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876565449 590216774 /nfs/dbraw/zinc/21/67/74/590216774.db2.gz JHDPZVQTDSWADQ-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO CCOC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877470342 590334547 /nfs/dbraw/zinc/33/45/47/590334547.db2.gz CDEMEVMCNWNEMK-SNVBAGLBSA-N 1 2 237.299 1.742 20 10 BDCDLO COC(=O)[C@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877471475 590334682 /nfs/dbraw/zinc/33/46/82/590334682.db2.gz TUPORNNIZYKZNN-CYBMUJFWSA-N 1 2 249.310 1.742 20 10 BDCDLO Cc1ccc(C[N@@H+](C)Cc2nncn2C)c(O)c1 ZINC000877530772 590349502 /nfs/dbraw/zinc/34/95/02/590349502.db2.gz XGBIGSZCOOQKEB-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1ccc(C[N@H+](C)Cc2nncn2C)c(O)c1 ZINC000877530772 590349503 /nfs/dbraw/zinc/34/95/03/590349503.db2.gz XGBIGSZCOOQKEB-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000162861380 633040191 /nfs/dbraw/zinc/04/01/91/633040191.db2.gz KQUSQGYUGUCHFX-JTQLQIEISA-N 1 2 240.734 1.839 20 10 BDCDLO Cn1cc(CC[N@H+](C)c2ccc(N)cc2)cn1 ZINC000230764776 641092392 /nfs/dbraw/zinc/09/23/92/641092392.db2.gz ZPNSXBRXDROFDL-UHFFFAOYSA-N 1 2 230.315 1.681 20 10 BDCDLO Cn1cc(CC[N@@H+](C)c2ccc(N)cc2)cn1 ZINC000230764776 641092398 /nfs/dbraw/zinc/09/23/98/641092398.db2.gz ZPNSXBRXDROFDL-UHFFFAOYSA-N 1 2 230.315 1.681 20 10 BDCDLO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534682 712211936 /nfs/dbraw/zinc/21/19/36/712211936.db2.gz DDCHXPKUZGARAF-CPCISQLKSA-N 1 2 243.253 1.795 20 10 BDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(O)cc1O ZINC001204277798 966961077 /nfs/dbraw/zinc/96/10/77/966961077.db2.gz AIEWOSFVLVYJIL-QMMMGPOBSA-N 1 2 239.271 1.091 20 10 BDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(O)cc1O ZINC001204277798 966961081 /nfs/dbraw/zinc/96/10/81/966961081.db2.gz AIEWOSFVLVYJIL-QMMMGPOBSA-N 1 2 239.271 1.091 20 10 BDCDLO COC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139599 960886641 /nfs/dbraw/zinc/88/66/41/960886641.db2.gz YJBYPIYVDJJOAG-UHFFFAOYSA-N 1 2 248.326 1.346 20 10 BDCDLO Oc1ccc(O)c(C[NH+]2CC3(CCO3)C2)c1 ZINC001141159675 960896816 /nfs/dbraw/zinc/89/68/16/960896816.db2.gz JGIXRRYWCWOIRY-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(O)ccc1O ZINC001141163084 960898605 /nfs/dbraw/zinc/89/86/05/960898605.db2.gz OLZOTDZTWNVFHQ-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO CC[N@H+](CC(=O)OC)Cc1cc(O)ccc1O ZINC001141163084 960898603 /nfs/dbraw/zinc/89/86/03/960898603.db2.gz OLZOTDZTWNVFHQ-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO OCC1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142524923 961479847 /nfs/dbraw/zinc/47/98/47/961479847.db2.gz PSRXYVZDXAEXLF-UHFFFAOYSA-N 1 2 229.226 1.095 20 10 BDCDLO Cn1ccc2c1nccc2-c1c[nH+]cn1C ZINC001243069755 970260374 /nfs/dbraw/zinc/26/03/74/970260374.db2.gz KWXVDOKSQFBBRD-UHFFFAOYSA-N 1 2 212.256 1.974 20 10 BDCDLO Cc1noc(C[N@@H+](C)Cc2ccc(N)cc2)n1 ZINC001334755168 976623715 /nfs/dbraw/zinc/62/37/15/976623715.db2.gz YRWPNUMYHKENRS-UHFFFAOYSA-N 1 2 232.287 1.592 20 10 BDCDLO Cc1noc(C[N@H+](C)Cc2ccc(N)cc2)n1 ZINC001334755168 976623721 /nfs/dbraw/zinc/62/37/21/976623721.db2.gz YRWPNUMYHKENRS-UHFFFAOYSA-N 1 2 232.287 1.592 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233482784 978613325 /nfs/dbraw/zinc/61/33/25/978613325.db2.gz BSBMSLZOTWYKLG-MRVPVSSYSA-N 1 2 239.271 1.024 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233482784 978613332 /nfs/dbraw/zinc/61/33/32/978613332.db2.gz BSBMSLZOTWYKLG-MRVPVSSYSA-N 1 2 239.271 1.024 20 10 BDCDLO Cc1cc(F)cc(C[N@@H+]2CCC23COC3)c1O ZINC001238061268 980134756 /nfs/dbraw/zinc/13/47/56/980134756.db2.gz FQHJAJXAXHFLLD-UHFFFAOYSA-N 1 2 237.274 1.814 20 10 BDCDLO Cc1cc(F)cc(C[N@H+]2CCC23COC3)c1O ZINC001238061268 980134758 /nfs/dbraw/zinc/13/47/58/980134758.db2.gz FQHJAJXAXHFLLD-UHFFFAOYSA-N 1 2 237.274 1.814 20 10 BDCDLO Cc1cc(F)cc(C[NH+]2CCN(C#N)CC2)c1O ZINC001238065757 980136928 /nfs/dbraw/zinc/13/69/28/980136928.db2.gz DUUIUQYCOQWYTM-UHFFFAOYSA-N 1 2 249.289 1.438 20 10 BDCDLO Cn1ccc(-c2ccc3[nH+]ccn3c2)cc1=O ZINC001240217817 981166490 /nfs/dbraw/zinc/16/64/90/981166490.db2.gz OXFIQECYEZACBC-UHFFFAOYSA-N 1 2 225.251 1.700 20 10 BDCDLO Cc1ccc(O)c(CNC(=O)Cn2cc[nH+]c2)c1 ZINC001584983908 981897044 /nfs/dbraw/zinc/89/70/44/981897044.db2.gz VDPGKRSRTAYRJD-UHFFFAOYSA-N 1 2 245.282 1.214 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874752 982550925 /nfs/dbraw/zinc/55/09/25/982550925.db2.gz CGKMNYLTVIHWME-ZJUUUORDSA-N 1 2 241.262 1.003 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874752 982550930 /nfs/dbraw/zinc/55/09/30/982550930.db2.gz CGKMNYLTVIHWME-ZJUUUORDSA-N 1 2 241.262 1.003 20 10 BDCDLO Nc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC001352790032 982583085 /nfs/dbraw/zinc/58/30/85/982583085.db2.gz NIEABVOOHAYTNE-LLVKDONJSA-N 1 2 242.269 1.735 20 10 BDCDLO Nc1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC001352790032 982583096 /nfs/dbraw/zinc/58/30/96/982583096.db2.gz NIEABVOOHAYTNE-LLVKDONJSA-N 1 2 242.269 1.735 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1CCCC12COC2 ZINC001137837663 990855152 /nfs/dbraw/zinc/85/51/52/990855152.db2.gz QDRZCFXCVKQJSO-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1CCCC12COC2 ZINC001137837663 990855155 /nfs/dbraw/zinc/85/51/55/990855155.db2.gz QDRZCFXCVKQJSO-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Cc1cc(O)c(C[N@H+](C)Cc2nnc[nH]2)cc1C ZINC000179793066 178196335 /nfs/dbraw/zinc/19/63/35/178196335.db2.gz DAORWFZMQRQPSQ-UHFFFAOYSA-N 1 2 246.314 1.759 20 10 BDCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nnc[nH]2)cc1C ZINC000179793066 178196338 /nfs/dbraw/zinc/19/63/38/178196338.db2.gz DAORWFZMQRQPSQ-UHFFFAOYSA-N 1 2 246.314 1.759 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000037073849 343144006 /nfs/dbraw/zinc/14/40/06/343144006.db2.gz GFYYFTHUQFUFNK-QMMMGPOBSA-N 1 2 209.245 1.043 20 10 BDCDLO Cc1cccc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000276264029 179097457 /nfs/dbraw/zinc/09/74/57/179097457.db2.gz QGRCRIVOVXAMJQ-JTQLQIEISA-N 1 2 246.314 1.680 20 10 BDCDLO OCCCC[NH2+]Cc1cccc(Cl)c1O ZINC000193281621 183052079 /nfs/dbraw/zinc/05/20/79/183052079.db2.gz ZSQIXUJGZJBUMK-UHFFFAOYSA-N 1 2 229.707 1.908 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366563536 183274573 /nfs/dbraw/zinc/27/45/73/183274573.db2.gz YDBJRPSYVSXILU-CMPLNLGQSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366563536 183274575 /nfs/dbraw/zinc/27/45/75/183274575.db2.gz YDBJRPSYVSXILU-CMPLNLGQSA-N 1 2 223.247 1.504 20 10 BDCDLO Cc1ccc(O)c(C[NH2+]CC(F)(F)CO)c1 ZINC000183869983 385801311 /nfs/dbraw/zinc/80/13/11/385801311.db2.gz WSKLNPDRMMWSRL-UHFFFAOYSA-N 1 2 231.242 1.418 20 10 BDCDLO C[C@@H]([NH2+]CCN(C)C)c1ccc(F)c(F)c1O ZINC000287188807 386100889 /nfs/dbraw/zinc/10/08/89/386100889.db2.gz VQBCDIRQMMUXJV-MRVPVSSYSA-N 1 2 244.285 1.883 20 10 BDCDLO COC[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000234794969 386101944 /nfs/dbraw/zinc/10/19/44/386101944.db2.gz QOXVBVJDRYCFNF-VIFPVBQESA-N 1 2 245.706 1.143 20 10 BDCDLO C[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000289425804 386302391 /nfs/dbraw/zinc/30/23/91/386302391.db2.gz JWWOGVSQNYIASP-QMMMGPOBSA-N 1 2 229.707 1.858 20 10 BDCDLO C[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000289425804 386302393 /nfs/dbraw/zinc/30/23/93/386302393.db2.gz JWWOGVSQNYIASP-QMMMGPOBSA-N 1 2 229.707 1.858 20 10 BDCDLO Nc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000368651595 386999749 /nfs/dbraw/zinc/99/97/49/386999749.db2.gz VXMKDFWHKUEZAW-VIFPVBQESA-N 1 2 241.241 1.205 20 10 BDCDLO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1=O ZINC000290824631 176539300 /nfs/dbraw/zinc/53/93/00/176539300.db2.gz HBPLAAMGTFQKAT-GFCCVEGCSA-N 1 2 239.246 1.327 20 10 BDCDLO COc1cccc(O)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000894583695 583489768 /nfs/dbraw/zinc/48/97/68/583489768.db2.gz JWVHGFVLJKOWSU-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187867 584094211 /nfs/dbraw/zinc/09/42/11/584094211.db2.gz MKSNVMUEYZAPJJ-JQWIXIFHSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187867 584094213 /nfs/dbraw/zinc/09/42/13/584094213.db2.gz MKSNVMUEYZAPJJ-JQWIXIFHSA-N 1 2 243.253 1.436 20 10 BDCDLO C[C@@H]1C[NH2+]C[C@H]1NCc1cccc(Cl)c1O ZINC000903964322 584834039 /nfs/dbraw/zinc/83/40/39/584834039.db2.gz MVDDOGZICHXVSI-LDYMZIIASA-N 1 2 240.734 1.743 20 10 BDCDLO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000773735060 585642903 /nfs/dbraw/zinc/64/29/03/585642903.db2.gz XMLHDFBAAWNVNL-UHFFFAOYSA-N 1 2 247.342 1.075 20 10 BDCDLO CCN(C)c1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000773735060 585642904 /nfs/dbraw/zinc/64/29/04/585642904.db2.gz XMLHDFBAAWNVNL-UHFFFAOYSA-N 1 2 247.342 1.075 20 10 BDCDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1O ZINC000793683770 586025240 /nfs/dbraw/zinc/02/52/40/586025240.db2.gz YGFPAPJRVNGQHB-UHFFFAOYSA-N 1 2 245.282 1.364 20 10 BDCDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1O ZINC000793683770 586025241 /nfs/dbraw/zinc/02/52/41/586025241.db2.gz YGFPAPJRVNGQHB-UHFFFAOYSA-N 1 2 245.282 1.364 20 10 BDCDLO Nc1ccc(C=C2SC(=S)NC2=O)c[nH+]1 ZINC000821022480 587088956 /nfs/dbraw/zinc/08/89/56/587088956.db2.gz RMKQHDRXVHUSRT-UTCJRWHESA-N 1 2 237.309 1.153 20 10 BDCDLO [NH3+]CC(F)(F)CNCc1cccc(F)c1O ZINC000841059614 587934749 /nfs/dbraw/zinc/93/47/49/587934749.db2.gz IHQWHSGPXHIGKP-UHFFFAOYSA-N 1 2 234.221 1.215 20 10 BDCDLO OC[C@H](CCF)[NH2+]Cc1cccc(Cl)c1O ZINC000846102202 588256739 /nfs/dbraw/zinc/25/67/39/588256739.db2.gz YXMLKAYHJIXNDX-VIFPVBQESA-N 1 2 247.697 1.856 20 10 BDCDLO Cc1cccc(C[N@@H+]2Cc3cnn(C)c3C2)c1O ZINC000877632522 590379255 /nfs/dbraw/zinc/37/92/55/590379255.db2.gz CSAGPZAPOKFWMQ-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1cccc(C[N@H+]2Cc3cnn(C)c3C2)c1O ZINC000877632522 590379258 /nfs/dbraw/zinc/37/92/58/590379258.db2.gz CSAGPZAPOKFWMQ-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO c1nn[nH]c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398331640 711408361 /nfs/dbraw/zinc/40/83/61/711408361.db2.gz ASNQIJJXVZXQTG-UHFFFAOYSA-N 1 2 230.271 1.029 20 10 BDCDLO COC[C@@H]1CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233336292 978569413 /nfs/dbraw/zinc/56/94/13/978569413.db2.gz GRVXQEGZLPTCHY-QMMMGPOBSA-N 1 2 243.253 1.891 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1ncccn1)CC2 ZINC001207016106 957759635 /nfs/dbraw/zinc/75/96/35/957759635.db2.gz SYARDKIZYHEWFV-UHFFFAOYSA-N 1 2 241.294 1.741 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1ncccn1)CC2 ZINC001207016106 957759642 /nfs/dbraw/zinc/75/96/42/957759642.db2.gz SYARDKIZYHEWFV-UHFFFAOYSA-N 1 2 241.294 1.741 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1cocn1)CC2 ZINC001141130476 960881324 /nfs/dbraw/zinc/88/13/24/960881324.db2.gz PKJGFAWJDRSIMO-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1cocn1)CC2 ZINC001141130476 960881330 /nfs/dbraw/zinc/88/13/30/960881330.db2.gz PKJGFAWJDRSIMO-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO CN1CCOc2cc(C[NH+]3CCOCC3)ccc21 ZINC001141138899 960885019 /nfs/dbraw/zinc/88/50/19/960885019.db2.gz CJXYJMAEZCFRCD-UHFFFAOYSA-N 1 2 248.326 1.347 20 10 BDCDLO COc1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001203628066 966717016 /nfs/dbraw/zinc/71/70/16/966717016.db2.gz YEROKZDKFOFJMN-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO COc1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001203628066 966717023 /nfs/dbraw/zinc/71/70/23/966717023.db2.gz YEROKZDKFOFJMN-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1O ZINC001203878885 966806578 /nfs/dbraw/zinc/80/65/78/966806578.db2.gz XKXKVQUVMDAQAA-DCAQKATOSA-N 1 2 237.274 1.888 20 10 BDCDLO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1O ZINC001203878885 966806579 /nfs/dbraw/zinc/80/65/79/966806579.db2.gz XKXKVQUVMDAQAA-DCAQKATOSA-N 1 2 237.274 1.888 20 10 BDCDLO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1O ZINC001203878886 966807161 /nfs/dbraw/zinc/80/71/61/966807161.db2.gz XKXKVQUVMDAQAA-GARJFASQSA-N 1 2 237.274 1.888 20 10 BDCDLO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1O ZINC001203878886 966807166 /nfs/dbraw/zinc/80/71/66/966807166.db2.gz XKXKVQUVMDAQAA-GARJFASQSA-N 1 2 237.274 1.888 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1O ZINC001203881336 966809899 /nfs/dbraw/zinc/80/98/99/966809899.db2.gz PCFSQLOMBNCUNY-LBPRGKRZSA-N 1 2 249.310 1.709 20 10 BDCDLO Oc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1O ZINC001203881336 966809903 /nfs/dbraw/zinc/80/99/03/966809903.db2.gz PCFSQLOMBNCUNY-LBPRGKRZSA-N 1 2 249.310 1.709 20 10 BDCDLO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(F)ccc(F)c1O ZINC001205183206 967415440 /nfs/dbraw/zinc/41/54/40/967415440.db2.gz XPUBABXAAGPNID-RDDDGLTNSA-N 1 2 242.269 1.592 20 10 BDCDLO CC1(C[NH3+])CN(Cc2c(F)ccc(F)c2O)C1 ZINC001206723923 968440157 /nfs/dbraw/zinc/44/01/57/968440157.db2.gz XDCMJFJRTODNHI-UHFFFAOYSA-N 1 2 242.269 1.451 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231842531 977755534 /nfs/dbraw/zinc/75/55/34/977755534.db2.gz NWALFDHWZLFARH-LBPRGKRZSA-N 1 2 249.310 1.756 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231842531 977755545 /nfs/dbraw/zinc/75/55/45/977755545.db2.gz NWALFDHWZLFARH-LBPRGKRZSA-N 1 2 249.310 1.756 20 10 BDCDLO C[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233331710 978560572 /nfs/dbraw/zinc/56/05/72/978560572.db2.gz HWFDRYDCJBGLEY-UHFFFAOYSA-N 1 2 242.269 1.418 20 10 BDCDLO COC[C@@H]1CC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233336292 978569405 /nfs/dbraw/zinc/56/94/05/978569405.db2.gz GRVXQEGZLPTCHY-QMMMGPOBSA-N 1 2 243.253 1.891 20 10 BDCDLO C[C@H]([NH3+])CN(C)Cc1c(F)ccc(F)c1O ZINC001236895194 979786252 /nfs/dbraw/zinc/78/62/52/979786252.db2.gz NHYAQIXWHAVAQL-ZETCQYMHSA-N 1 2 230.258 1.449 20 10 BDCDLO CCOc1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001237050877 979809852 /nfs/dbraw/zinc/80/98/52/979809852.db2.gz XZSYDYGDCYQKFI-UHFFFAOYSA-N 1 2 249.310 1.956 20 10 BDCDLO CCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590637871 982962855 /nfs/dbraw/zinc/96/28/55/982962855.db2.gz HKCFAFYUKJQAOV-MRVPVSSYSA-N 1 2 247.302 1.633 20 10 BDCDLO O=C(Cc1c[nH+]c[nH]1)N1Cc2cccc(O)c2C1 ZINC001455037701 985057544 /nfs/dbraw/zinc/05/75/44/985057544.db2.gz TYYPXZPDHKMEDL-UHFFFAOYSA-N 1 2 243.266 1.200 20 10 BDCDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N)cc1 ZINC001579514217 986071262 /nfs/dbraw/zinc/07/12/62/986071262.db2.gz KJPJPXIDCGMFBI-UHFFFAOYSA-N 1 2 230.271 1.482 20 10 BDCDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1O ZINC001471196330 987080433 /nfs/dbraw/zinc/08/04/33/987080433.db2.gz YMTSGZSWHWRIPT-SNVBAGLBSA-N 1 2 245.282 1.466 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001137838453 990855621 /nfs/dbraw/zinc/85/56/21/990855621.db2.gz AGYQHQLBSZSNFH-DTORHVGOSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001137838453 990855624 /nfs/dbraw/zinc/85/56/24/990855624.db2.gz AGYQHQLBSZSNFH-DTORHVGOSA-N 1 2 223.247 1.504 20 10 BDCDLO C[N@H+](Cc1cncnc1)Cc1cccc(F)c1O ZINC001138130557 990887415 /nfs/dbraw/zinc/88/74/15/990887415.db2.gz CQQOUWCBEUZGNF-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[N@@H+](Cc1cncnc1)Cc1cccc(F)c1O ZINC001138130557 990887417 /nfs/dbraw/zinc/88/74/17/990887417.db2.gz CQQOUWCBEUZGNF-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO Cn1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)n1 ZINC001561045410 991702222 /nfs/dbraw/zinc/70/22/22/991702222.db2.gz YQZKYWIAOCKZSS-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CCN2CCC[C@H]2C1 ZINC000245908672 183302382 /nfs/dbraw/zinc/30/23/82/183302382.db2.gz MESVLDUWAGLFNN-ZDUSSCGKSA-N 1 2 232.327 1.672 20 10 BDCDLO Oc1ccccc1C[N@H+]1CCN2CCC[C@H]2C1 ZINC000245908672 183302383 /nfs/dbraw/zinc/30/23/83/183302383.db2.gz MESVLDUWAGLFNN-ZDUSSCGKSA-N 1 2 232.327 1.672 20 10 BDCDLO Cc1nc(C[N@@H+](C)Cc2ccccc2O)no1 ZINC000111235316 383843660 /nfs/dbraw/zinc/84/36/60/383843660.db2.gz ZSJJPBNONIBVDI-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO Cc1nc(C[N@H+](C)Cc2ccccc2O)no1 ZINC000111235316 383843664 /nfs/dbraw/zinc/84/36/64/383843664.db2.gz ZSJJPBNONIBVDI-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO C[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000132474947 384187681 /nfs/dbraw/zinc/18/76/81/384187681.db2.gz DEHMKZIRUBBQKC-UHFFFAOYSA-N 1 2 215.680 1.470 20 10 BDCDLO C[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000132474947 384187686 /nfs/dbraw/zinc/18/76/86/384187686.db2.gz DEHMKZIRUBBQKC-UHFFFAOYSA-N 1 2 215.680 1.470 20 10 BDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000280809312 385607967 /nfs/dbraw/zinc/60/79/67/385607967.db2.gz JCBSROVPRKDYLX-MRVPVSSYSA-N 1 2 241.262 1.525 20 10 BDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000280809312 385607971 /nfs/dbraw/zinc/60/79/71/385607971.db2.gz JCBSROVPRKDYLX-MRVPVSSYSA-N 1 2 241.262 1.525 20 10 BDCDLO C[C@@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000162830148 386334469 /nfs/dbraw/zinc/33/44/69/386334469.db2.gz ACCIFPRLKQTICL-MRVPVSSYSA-N 1 2 229.707 1.764 20 10 BDCDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000186214122 387083898 /nfs/dbraw/zinc/08/38/98/387083898.db2.gz CYTSLGJPNJZSIG-SNVBAGLBSA-N 1 2 246.314 1.680 20 10 BDCDLO COc1ccc([NH+]2CCC(NC(C)=O)CC2)cc1 ZINC000726562422 583360367 /nfs/dbraw/zinc/36/03/67/583360367.db2.gz MLZOAVGGBCNBKO-UHFFFAOYSA-N 1 2 248.326 1.800 20 10 BDCDLO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000748346137 585191300 /nfs/dbraw/zinc/19/13/00/585191300.db2.gz AHWFWROUSAOUBB-QMMMGPOBSA-N 1 2 240.328 1.230 20 10 BDCDLO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000748346137 585191301 /nfs/dbraw/zinc/19/13/01/585191301.db2.gz AHWFWROUSAOUBB-QMMMGPOBSA-N 1 2 240.328 1.230 20 10 BDCDLO O=C(C1=CC(=O)CS1)N1CC(n2cc[nH+]c2)C1 ZINC000750237188 585212563 /nfs/dbraw/zinc/21/25/63/585212563.db2.gz WZGFYTFXFVNZRI-UHFFFAOYSA-N 1 2 249.295 1.347 20 10 BDCDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1O ZINC000775987313 585688714 /nfs/dbraw/zinc/68/87/14/585688714.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccccc1O ZINC000775987313 585688715 /nfs/dbraw/zinc/68/87/15/585688715.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@H]([NH2+]CCN(C)C)c1cc(F)cc(F)c1O ZINC000806171654 586406947 /nfs/dbraw/zinc/40/69/47/586406947.db2.gz QTTWISVUTBSEMY-QMMMGPOBSA-N 1 2 244.285 1.883 20 10 BDCDLO CC[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000809936916 586524253 /nfs/dbraw/zinc/52/42/53/586524253.db2.gz FAQKMDSFFVRIBF-UHFFFAOYSA-N 1 2 240.328 1.231 20 10 BDCDLO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942129 586845696 /nfs/dbraw/zinc/84/56/96/586845696.db2.gz XADDSTHUDCLDOS-KOLCDFICSA-N 1 2 238.306 1.934 20 10 BDCDLO Oc1ccccc1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000826957915 587366931 /nfs/dbraw/zinc/36/69/31/587366931.db2.gz KTZYMZRDSXKPGO-NSHDSACASA-N 1 2 243.253 1.594 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000826957915 587366932 /nfs/dbraw/zinc/36/69/32/587366932.db2.gz KTZYMZRDSXKPGO-NSHDSACASA-N 1 2 243.253 1.594 20 10 BDCDLO Cc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827305706 587376426 /nfs/dbraw/zinc/37/64/26/587376426.db2.gz XGDROUZRYXNEDI-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827305706 587376427 /nfs/dbraw/zinc/37/64/27/587376427.db2.gz XGDROUZRYXNEDI-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO C[C@@H](C[NH3+])N(C)Cc1cc(Cl)cc(F)c1O ZINC000843050858 588077143 /nfs/dbraw/zinc/07/71/43/588077143.db2.gz AIQJFOAFPVCXKF-ZETCQYMHSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050858 588077144 /nfs/dbraw/zinc/07/71/44/588077144.db2.gz AIQJFOAFPVCXKF-ZETCQYMHSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050858 588077145 /nfs/dbraw/zinc/07/71/45/588077145.db2.gz AIQJFOAFPVCXKF-ZETCQYMHSA-N 1 2 246.713 1.964 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+](C)Cc1nncn1C ZINC000877529368 590348936 /nfs/dbraw/zinc/34/89/36/590348936.db2.gz APICHKXGXGLDOQ-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1cccc(O)c1C[N@H+](C)Cc1nncn1C ZINC000877529368 590348941 /nfs/dbraw/zinc/34/89/41/590348941.db2.gz APICHKXGXGLDOQ-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC000877540032 590351039 /nfs/dbraw/zinc/35/10/39/590351039.db2.gz XOTCSTJQYIRITA-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(CN2CCn3c[nH+]cc3C2)c(O)c1 ZINC000877540032 590351044 /nfs/dbraw/zinc/35/10/44/590351044.db2.gz XOTCSTJQYIRITA-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO CC[N@H+](Cc1ccc(F)c(F)c1O)[C@H](C)CO ZINC000877543738 590351886 /nfs/dbraw/zinc/35/18/86/590351886.db2.gz KVLQNNDNNXBQSW-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)[C@H](C)CO ZINC000877543738 590351890 /nfs/dbraw/zinc/35/18/90/590351890.db2.gz KVLQNNDNNXBQSW-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO Cc1cc(Cl)cc(C[NH+]2CC(C)(O)C2)c1O ZINC000877581373 590365247 /nfs/dbraw/zinc/36/52/47/590365247.db2.gz ZQQSYTSOGTYDHY-UHFFFAOYSA-N 1 2 241.718 1.921 20 10 BDCDLO CC1(CO)C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000877581583 590366152 /nfs/dbraw/zinc/36/61/52/590366152.db2.gz JSQZICDHZQYBTB-UHFFFAOYSA-N 1 2 243.253 1.485 20 10 BDCDLO Cn1nncc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702963 590395544 /nfs/dbraw/zinc/39/55/44/590395544.db2.gz MKUUVPUHTOAWPV-UHFFFAOYSA-N 1 2 230.271 1.037 20 10 BDCDLO Cn1nncc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702963 590395545 /nfs/dbraw/zinc/39/55/45/590395545.db2.gz MKUUVPUHTOAWPV-UHFFFAOYSA-N 1 2 230.271 1.037 20 10 BDCDLO C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134914109 591959126 /nfs/dbraw/zinc/95/91/26/591959126.db2.gz IXANYTFAWCRUIM-RQJHMYQMSA-N 1 2 231.242 1.702 20 10 BDCDLO OC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000923005188 644229651 /nfs/dbraw/zinc/22/96/51/644229651.db2.gz LBCPTKKQRVXUJH-GVJMRKKJSA-N 1 2 243.253 1.531 20 10 BDCDLO OC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000707594341 712175499 /nfs/dbraw/zinc/17/54/99/712175499.db2.gz LBBSFZWOKANWNP-WAAGHKOSSA-N 1 2 241.718 1.906 20 10 BDCDLO CC(=O)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142508662 961463005 /nfs/dbraw/zinc/46/30/05/961463005.db2.gz GXHMICUHIACVJQ-UHFFFAOYSA-N 1 2 229.226 1.691 20 10 BDCDLO CC(=O)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142508662 961463011 /nfs/dbraw/zinc/46/30/11/961463011.db2.gz GXHMICUHIACVJQ-UHFFFAOYSA-N 1 2 229.226 1.691 20 10 BDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC001140954275 960764440 /nfs/dbraw/zinc/76/44/40/960764440.db2.gz OKAMPRZZXDQWGA-CQSZACIVSA-N 1 2 249.310 1.490 20 10 BDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC001140954275 960764459 /nfs/dbraw/zinc/76/44/59/960764459.db2.gz OKAMPRZZXDQWGA-CQSZACIVSA-N 1 2 249.310 1.490 20 10 BDCDLO COC1(C)C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141156769 960893140 /nfs/dbraw/zinc/89/31/40/960893140.db2.gz UPCNLBRKSZQEQE-UHFFFAOYSA-N 1 2 223.272 1.319 20 10 BDCDLO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141162499 960902487 /nfs/dbraw/zinc/90/24/87/960902487.db2.gz VCLCNWMUJJAFLR-CMPLNLGQSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141162499 960902494 /nfs/dbraw/zinc/90/24/94/960902494.db2.gz VCLCNWMUJJAFLR-CMPLNLGQSA-N 1 2 221.256 1.071 20 10 BDCDLO C[C@@H]1C[NH+](Cc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC001203873301 966801975 /nfs/dbraw/zinc/80/19/75/966801975.db2.gz BNKCPVOCVOEOBU-NXEZZACHSA-N 1 2 237.299 1.707 20 10 BDCDLO Oc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1O ZINC001203875085 966805742 /nfs/dbraw/zinc/80/57/42/966805742.db2.gz GWTVYFSRWOXXOG-VIFPVBQESA-N 1 2 211.236 1.642 20 10 BDCDLO Oc1ccc(C[N@H+]2CC[C@H](F)C2)cc1O ZINC001203875085 966805750 /nfs/dbraw/zinc/80/57/50/966805750.db2.gz GWTVYFSRWOXXOG-VIFPVBQESA-N 1 2 211.236 1.642 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001203879882 966806256 /nfs/dbraw/zinc/80/62/56/966806256.db2.gz JMODZXGQXBZPKD-NXEZZACHSA-N 1 2 237.299 1.707 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001203879882 966806257 /nfs/dbraw/zinc/80/62/57/966806257.db2.gz JMODZXGQXBZPKD-NXEZZACHSA-N 1 2 237.299 1.707 20 10 BDCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937879 966826200 /nfs/dbraw/zinc/82/62/00/966826200.db2.gz WXZGBUWGUGNVPI-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203937879 966826203 /nfs/dbraw/zinc/82/62/03/966826203.db2.gz WXZGBUWGUGNVPI-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1ccc(OC)cc1O ZINC000179397206 967476751 /nfs/dbraw/zinc/47/67/51/967476751.db2.gz MIBYPHGOLAARIQ-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1ccc(OC)cc1O ZINC000179397206 967476760 /nfs/dbraw/zinc/47/67/60/967476760.db2.gz MIBYPHGOLAARIQ-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO Cn1cc(C[N@H+](C)Cc2c(O)cccc2F)cn1 ZINC001137831576 967820974 /nfs/dbraw/zinc/82/09/74/967820974.db2.gz GALNOEUZTWLVBC-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO Cn1cc(C[N@@H+](C)Cc2c(O)cccc2F)cn1 ZINC001137831576 967820980 /nfs/dbraw/zinc/82/09/80/967820980.db2.gz GALNOEUZTWLVBC-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO COC1(C)C[NH+](Cc2c(O)cccc2F)C1 ZINC001137831944 967824828 /nfs/dbraw/zinc/82/48/28/967824828.db2.gz UCMRRQHKLYKXKA-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CN(C)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001227942037 975803607 /nfs/dbraw/zinc/80/36/07/975803607.db2.gz ZSVOPGOHWZSEPS-UHFFFAOYSA-N 1 2 206.289 1.445 20 10 BDCDLO O=C(Cc1c[nH]c[nH+]1)NCc1c(O)cccc1F ZINC001596916711 978274045 /nfs/dbraw/zinc/27/40/45/978274045.db2.gz LKFVLWIEXXOEFR-UHFFFAOYSA-N 1 2 249.245 1.113 20 10 BDCDLO C[C@@H]1COCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483442 978613374 /nfs/dbraw/zinc/61/33/74/978613374.db2.gz ZESSAEJWEOKREY-MRVPVSSYSA-N 1 2 239.271 1.024 20 10 BDCDLO C[C@@H]1COCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483442 978613379 /nfs/dbraw/zinc/61/33/79/978613379.db2.gz ZESSAEJWEOKREY-MRVPVSSYSA-N 1 2 239.271 1.024 20 10 BDCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC001238067944 980139482 /nfs/dbraw/zinc/13/94/82/980139482.db2.gz SPFAMFQFNLTHCU-NEPJUHHUSA-N 1 2 237.274 1.813 20 10 BDCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC001238067944 980139488 /nfs/dbraw/zinc/13/94/88/980139488.db2.gz SPFAMFQFNLTHCU-NEPJUHHUSA-N 1 2 237.274 1.813 20 10 BDCDLO Nc1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC001352790034 982581398 /nfs/dbraw/zinc/58/13/98/982581398.db2.gz NIEABVOOHAYTNE-NSHDSACASA-N 1 2 242.269 1.735 20 10 BDCDLO Nc1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC001352790034 982581402 /nfs/dbraw/zinc/58/14/02/982581402.db2.gz NIEABVOOHAYTNE-NSHDSACASA-N 1 2 242.269 1.735 20 10 BDCDLO Cc1ccc(O)c(CN2CC3(CC[N@H+]3C)C2)c1 ZINC001275312014 984535111 /nfs/dbraw/zinc/53/51/11/984535111.db2.gz YPIZTOZKACTGLM-UHFFFAOYSA-N 1 2 232.327 1.591 20 10 BDCDLO Cc1ccc(O)c(CN2CC3(CC[N@@H+]3C)C2)c1 ZINC001275312014 984535122 /nfs/dbraw/zinc/53/51/22/984535122.db2.gz YPIZTOZKACTGLM-UHFFFAOYSA-N 1 2 232.327 1.591 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366546741 187330994 /nfs/dbraw/zinc/33/09/94/187330994.db2.gz VZKVTXYUKLGDRW-MNOVXSKESA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366546741 187330996 /nfs/dbraw/zinc/33/09/96/187330996.db2.gz VZKVTXYUKLGDRW-MNOVXSKESA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000179952661 183302549 /nfs/dbraw/zinc/30/25/49/183302549.db2.gz MESVLDUWAGLFNN-CYBMUJFWSA-N 1 2 232.327 1.672 20 10 BDCDLO Oc1ccccc1C[N@H+]1CCN2CCC[C@@H]2C1 ZINC000179952661 183302550 /nfs/dbraw/zinc/30/25/50/183302550.db2.gz MESVLDUWAGLFNN-CYBMUJFWSA-N 1 2 232.327 1.672 20 10 BDCDLO CN(Cc1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000121411432 384413984 /nfs/dbraw/zinc/41/39/84/384413984.db2.gz YBCOOTFAPLDGQB-UHFFFAOYSA-N 1 2 245.282 1.785 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000179396422 385464612 /nfs/dbraw/zinc/46/46/12/385464612.db2.gz JOCGXOWEOLIMHA-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000179396422 385464617 /nfs/dbraw/zinc/46/46/17/385464617.db2.gz JOCGXOWEOLIMHA-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ncn(C)n1 ZINC000275622491 388344827 /nfs/dbraw/zinc/34/48/27/388344827.db2.gz AGEAIVBPEAGZBE-NXEZZACHSA-N 1 2 246.314 1.933 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccccc1O ZINC000275622494 388345322 /nfs/dbraw/zinc/34/53/22/388345322.db2.gz AGEAIVBPEAGZBE-ZJUUUORDSA-N 1 2 246.314 1.933 20 10 BDCDLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275772811 388345741 /nfs/dbraw/zinc/34/57/41/388345741.db2.gz HELOPBFLSSXAQD-JTQLQIEISA-N 1 2 246.314 1.680 20 10 BDCDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=CC(=O)CS1 ZINC000857886179 588921031 /nfs/dbraw/zinc/92/10/31/588921031.db2.gz UYRPFAHIPDFBCO-ZETCQYMHSA-N 1 2 249.295 1.005 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC000897678346 584036144 /nfs/dbraw/zinc/03/61/44/584036144.db2.gz AIYUXJWHXZCUPF-XCBNKYQSSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC000897678346 584036145 /nfs/dbraw/zinc/03/61/45/584036145.db2.gz AIYUXJWHXZCUPF-XCBNKYQSSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC000897678344 584036494 /nfs/dbraw/zinc/03/64/94/584036494.db2.gz AIYUXJWHXZCUPF-GMSGAONNSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC000897678344 584036495 /nfs/dbraw/zinc/03/64/95/584036495.db2.gz AIYUXJWHXZCUPF-GMSGAONNSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000897681472 584039488 /nfs/dbraw/zinc/03/94/88/584039488.db2.gz VRPWTDDILCOTIQ-LDYMZIIASA-N 1 2 241.718 1.858 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000897681472 584039489 /nfs/dbraw/zinc/03/94/89/584039489.db2.gz VRPWTDDILCOTIQ-LDYMZIIASA-N 1 2 241.718 1.858 20 10 BDCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CNOC1 ZINC000904424639 584880941 /nfs/dbraw/zinc/88/09/41/584880941.db2.gz WYHFUGZPRMWMRQ-LURJTMIESA-N 1 2 246.669 1.178 20 10 BDCDLO Oc1ccccc1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787437720 585909609 /nfs/dbraw/zinc/90/96/09/585909609.db2.gz BDKASXQGGVPVAM-JTQLQIEISA-N 1 2 243.253 1.594 20 10 BDCDLO Oc1ccccc1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787437720 585909610 /nfs/dbraw/zinc/90/96/10/585909610.db2.gz BDKASXQGGVPVAM-JTQLQIEISA-N 1 2 243.253 1.594 20 10 BDCDLO CC(=O)C(=O)CSc1[nH+]cc2ccccn21 ZINC000808014354 586459368 /nfs/dbraw/zinc/45/93/68/586459368.db2.gz FKDFGWAIPOVAEU-UHFFFAOYSA-N 1 2 234.280 1.585 20 10 BDCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000814172521 586615490 /nfs/dbraw/zinc/61/54/90/586615490.db2.gz QKWZVZXEQUIBOY-GXTWGEPZSA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000814172521 586615491 /nfs/dbraw/zinc/61/54/91/586615491.db2.gz QKWZVZXEQUIBOY-GXTWGEPZSA-N 1 2 249.310 1.764 20 10 BDCDLO CCc1cccc(C[N@H+](C)CC(=O)OC)c1O ZINC000848880506 588415973 /nfs/dbraw/zinc/41/59/73/588415973.db2.gz FWHNXJNKBWJLHE-UHFFFAOYSA-N 1 2 237.299 1.559 20 10 BDCDLO CCc1cccc(C[N@@H+](C)CC(=O)OC)c1O ZINC000848880506 588415974 /nfs/dbraw/zinc/41/59/74/588415974.db2.gz FWHNXJNKBWJLHE-UHFFFAOYSA-N 1 2 237.299 1.559 20 10 BDCDLO C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652949 589307827 /nfs/dbraw/zinc/30/78/27/589307827.db2.gz ZXWVZMVVQYWXCI-SSDOTTSWSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652949 589307829 /nfs/dbraw/zinc/30/78/29/589307829.db2.gz ZXWVZMVVQYWXCI-SSDOTTSWSA-N 1 2 246.713 1.964 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+]1CCn2cnnc2C1 ZINC000876708069 590232987 /nfs/dbraw/zinc/23/29/87/590232987.db2.gz GWJSWGZYINWRCG-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1cccc(O)c1C[N@H+]1CCn2cnnc2C1 ZINC000876708069 590232989 /nfs/dbraw/zinc/23/29/89/590232989.db2.gz GWJSWGZYINWRCG-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C1CC(O)C1 ZINC000877344264 590318620 /nfs/dbraw/zinc/31/86/20/590318620.db2.gz GMNZXAWASSPBNI-UHFFFAOYSA-N 1 2 243.253 1.626 20 10 BDCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C1CC(O)C1 ZINC000877344264 590318622 /nfs/dbraw/zinc/31/86/22/590318622.db2.gz GMNZXAWASSPBNI-UHFFFAOYSA-N 1 2 243.253 1.626 20 10 BDCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C1(CO)CC1 ZINC000877642345 590383154 /nfs/dbraw/zinc/38/31/54/590383154.db2.gz VDAFASKFWJNVPZ-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C1(CO)CC1 ZINC000877642345 590383157 /nfs/dbraw/zinc/38/31/57/590383157.db2.gz VDAFASKFWJNVPZ-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO Cc1ccc(C[NH2+]Cc2c[nH]nn2)c(O)c1 ZINC000877649336 590384161 /nfs/dbraw/zinc/38/41/61/590384161.db2.gz UOOWIMWNYHJRFV-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO Cc1ccc(C[NH2+]Cc2cn[nH]n2)c(O)c1 ZINC000877649336 590384164 /nfs/dbraw/zinc/38/41/64/590384164.db2.gz UOOWIMWNYHJRFV-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000162705679 634297675 /nfs/dbraw/zinc/29/76/75/634297675.db2.gz OOCJZEMIPIUDIB-ZETCQYMHSA-N 1 2 242.706 1.399 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCOC1 ZINC000162872498 635143029 /nfs/dbraw/zinc/14/30/29/635143029.db2.gz JLHVRUKTIBACLQ-VIFPVBQESA-N 1 2 227.691 1.924 20 10 BDCDLO O=C(NC12CC[NH+](CC1)C2)C1=CC(=O)CS1 ZINC000913634232 641435605 /nfs/dbraw/zinc/43/56/05/641435605.db2.gz HDMGMSZAGKBDLF-UHFFFAOYSA-N 1 2 238.312 1.032 20 10 BDCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(N)=O ZINC000152637858 641624401 /nfs/dbraw/zinc/62/44/01/641624401.db2.gz RVDBOBPCRMOLGI-ZCFIWIBFSA-N 1 2 228.679 1.009 20 10 BDCDLO Cc1ccc(O)c(C[NH2+]Cc2ccn[nH]2)c1 ZINC000070955290 643086574 /nfs/dbraw/zinc/08/65/74/643086574.db2.gz YEXNBFYRFHEURT-UHFFFAOYSA-N 1 2 217.272 1.714 20 10 BDCDLO CON(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC001207382153 968745227 /nfs/dbraw/zinc/74/52/27/968745227.db2.gz QWLGZGWJBGJSHV-UHFFFAOYSA-N 1 2 244.722 1.628 20 10 BDCDLO C[N@H+](CCO)Cc1c(O)cc(F)cc1F ZINC001236254639 979471317 /nfs/dbraw/zinc/47/13/17/979471317.db2.gz CFVKPOPSJVIELU-UHFFFAOYSA-N 1 2 217.215 1.095 20 10 BDCDLO C[N@@H+](CCO)Cc1c(O)cc(F)cc1F ZINC001236254639 979471319 /nfs/dbraw/zinc/47/13/19/979471319.db2.gz CFVKPOPSJVIELU-UHFFFAOYSA-N 1 2 217.215 1.095 20 10 BDCDLO C[C@H]([NH3+])CN(C)Cc1c(O)cc(F)cc1F ZINC001236899386 979786988 /nfs/dbraw/zinc/78/69/88/979786988.db2.gz HQSLVOIGJACBHT-ZETCQYMHSA-N 1 2 230.258 1.449 20 10 BDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](O)C1 ZINC000132493341 984048285 /nfs/dbraw/zinc/04/82/85/984048285.db2.gz NRNVTRCCILYACX-VIFPVBQESA-N 1 2 227.691 1.612 20 10 BDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](O)C1 ZINC000132493341 984048298 /nfs/dbraw/zinc/04/82/98/984048298.db2.gz NRNVTRCCILYACX-VIFPVBQESA-N 1 2 227.691 1.612 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001203873300 966802964 /nfs/dbraw/zinc/80/29/64/966802964.db2.gz BNKCPVOCVOEOBU-AOOOYVTPSA-N 1 2 237.299 1.707 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001203873300 966802966 /nfs/dbraw/zinc/80/29/66/966802966.db2.gz BNKCPVOCVOEOBU-AOOOYVTPSA-N 1 2 237.299 1.707 20 10 BDCDLO Oc1cc(O)c(C[N@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001144504059 972849843 /nfs/dbraw/zinc/84/98/43/972849843.db2.gz KIOGFHUHYKOTLL-DTORHVGOSA-N 1 2 245.225 1.295 20 10 BDCDLO Oc1cc(O)c(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001144504059 972849847 /nfs/dbraw/zinc/84/98/47/972849847.db2.gz KIOGFHUHYKOTLL-DTORHVGOSA-N 1 2 245.225 1.295 20 10 BDCDLO [NH3+]C[C@H]1CCCN1Cc1c(O)cc(F)cc1F ZINC001236246153 979467907 /nfs/dbraw/zinc/46/79/07/979467907.db2.gz VFWBNLMZKUIIRG-SECBINFHSA-N 1 2 242.269 1.594 20 10 BDCDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC001343507424 980136197 /nfs/dbraw/zinc/13/61/97/980136197.db2.gz GUXRNPXOTXWGGN-CYBMUJFWSA-N 1 2 249.310 1.824 20 10 BDCDLO CC[NH2+][C@@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590745656 982981601 /nfs/dbraw/zinc/98/16/01/982981601.db2.gz LOSFDXKRSYHGHU-JTQLQIEISA-N 1 2 247.302 1.633 20 10 BDCDLO Cc1cc(N)[nH+]cc1-c1ncnc2c1ccn2C ZINC001242070989 983305849 /nfs/dbraw/zinc/30/58/49/983305849.db2.gz QDOXBMKHPVACQG-UHFFFAOYSA-N 1 2 239.282 1.921 20 10 BDCDLO Cn1ccc2ncc(-c3c[nH+]cn3C)cc21 ZINC001243071074 984491931 /nfs/dbraw/zinc/49/19/31/984491931.db2.gz KNYNMRZUXNHXIL-UHFFFAOYSA-N 1 2 212.256 1.974 20 10 BDCDLO Oc1cccc(F)c1C[NH+]1CC2(COC2)C1 ZINC001137831611 990853432 /nfs/dbraw/zinc/85/34/32/990853432.db2.gz HJPNLIRHFKGWMF-UHFFFAOYSA-N 1 2 223.247 1.364 20 10 BDCDLO C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CC[NH2+]C1 ZINC001576545879 993340574 /nfs/dbraw/zinc/34/05/74/993340574.db2.gz TYQJBYUVDUTREV-LBPRGKRZSA-N 1 2 242.269 1.512 20 10 BDCDLO Cc1cccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493796506 398320518 /nfs/dbraw/zinc/32/05/18/398320518.db2.gz TZUZLQRBRSEYME-VOTSOKGWSA-N 1 2 242.282 1.789 20 10 BDCDLO Cc1cccc(CN2CC[NH+](C3CC3)CC2)c1O ZINC000179670568 179076670 /nfs/dbraw/zinc/07/66/70/179076670.db2.gz OVSWECXSEQQFER-UHFFFAOYSA-N 1 2 246.354 1.981 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cccc(OC)c1O ZINC000179395942 385465947 /nfs/dbraw/zinc/46/59/47/385465947.db2.gz AWYSHDCUVIAGTD-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cccc(OC)c1O ZINC000179395942 385465951 /nfs/dbraw/zinc/46/59/51/385465951.db2.gz AWYSHDCUVIAGTD-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCn2nccc21 ZINC000283826575 385835320 /nfs/dbraw/zinc/83/53/20/385835320.db2.gz FWJPGJMPOZOXHA-NSCUHMNNSA-N 1 2 243.270 1.056 20 10 BDCDLO Cc1nnc(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000272233167 385886268 /nfs/dbraw/zinc/88/62/68/385886268.db2.gz FBZZOSPSJKWACE-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO Cc1nnc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000272233167 385886270 /nfs/dbraw/zinc/88/62/70/385886270.db2.gz FBZZOSPSJKWACE-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000139745933 173086307 /nfs/dbraw/zinc/08/63/07/173086307.db2.gz PSCPIMOPTIOHAF-UHFFFAOYSA-N 1 2 224.279 1.279 20 10 BDCDLO CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000082306180 173086874 /nfs/dbraw/zinc/08/68/74/173086874.db2.gz GPZFTHSNSQIGTO-UHFFFAOYSA-N 1 2 240.734 1.793 20 10 BDCDLO COc1ccc(O)c(C[NH2+]Cc2cn[nH]c2C)c1 ZINC000038011222 175158556 /nfs/dbraw/zinc/15/85/56/175158556.db2.gz QTSGLRZVZPWXOR-UHFFFAOYSA-N 1 2 247.298 1.722 20 10 BDCDLO C[C@@H](O)CC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894033275 583276666 /nfs/dbraw/zinc/27/66/66/583276666.db2.gz FVYAGUFHOPCPAA-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@@H](O)CC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894033275 583276663 /nfs/dbraw/zinc/27/66/63/583276663.db2.gz FVYAGUFHOPCPAA-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO COc1ccc(O)c(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894586701 583489342 /nfs/dbraw/zinc/48/93/42/583489342.db2.gz SDCYMBJQGWSMSA-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894586701 583489343 /nfs/dbraw/zinc/48/93/43/583489343.db2.gz SDCYMBJQGWSMSA-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895654425 583701239 /nfs/dbraw/zinc/70/12/39/583701239.db2.gz RICHJUHYBKLTMB-BXKDBHETSA-N 1 2 239.702 1.612 20 10 BDCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895654425 583701242 /nfs/dbraw/zinc/70/12/42/583701242.db2.gz RICHJUHYBKLTMB-BXKDBHETSA-N 1 2 239.702 1.612 20 10 BDCDLO Cc1cc(C[NH2+]Cc2c(O)cccc2F)nn1C ZINC000896638526 583819905 /nfs/dbraw/zinc/81/99/05/583819905.db2.gz QUDBGALRQBJQMQ-UHFFFAOYSA-N 1 2 249.289 1.863 20 10 BDCDLO C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000902408627 584575696 /nfs/dbraw/zinc/57/56/96/584575696.db2.gz ZSASWMKLYRTFCK-SSDOTTSWSA-N 1 2 242.269 1.812 20 10 BDCDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1O ZINC000774061518 585649390 /nfs/dbraw/zinc/64/93/90/585649390.db2.gz AIZPHWOZALBIOO-UHFFFAOYSA-N 1 2 245.282 1.283 20 10 BDCDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1O ZINC000774061518 585649391 /nfs/dbraw/zinc/64/93/91/585649391.db2.gz AIZPHWOZALBIOO-UHFFFAOYSA-N 1 2 245.282 1.283 20 10 BDCDLO Cc1[nH]c(C(=O)NCc2ccc(O)c(O)c2)c[nH+]1 ZINC000778923482 585742210 /nfs/dbraw/zinc/74/22/10/585742210.db2.gz QIMRKIPIUJYUHH-UHFFFAOYSA-N 1 2 247.254 1.059 20 10 BDCDLO COc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)cc1C ZINC000793621691 586024156 /nfs/dbraw/zinc/02/41/56/586024156.db2.gz ZQQRRUAUIAYKTO-RISCZKNCSA-N 1 2 249.310 1.682 20 10 BDCDLO COc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)cc1C ZINC000793621691 586024157 /nfs/dbraw/zinc/02/41/57/586024157.db2.gz ZQQRRUAUIAYKTO-RISCZKNCSA-N 1 2 249.310 1.682 20 10 BDCDLO COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)cc1C ZINC000793621693 586024184 /nfs/dbraw/zinc/02/41/84/586024184.db2.gz ZQQRRUAUIAYKTO-SMDDNHRTSA-N 1 2 249.310 1.682 20 10 BDCDLO COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)cc1C ZINC000793621693 586024185 /nfs/dbraw/zinc/02/41/85/586024185.db2.gz ZQQRRUAUIAYKTO-SMDDNHRTSA-N 1 2 249.310 1.682 20 10 BDCDLO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942134 586845201 /nfs/dbraw/zinc/84/52/01/586845201.db2.gz XADDSTHUDCLDOS-ONGXEEELSA-N 1 2 238.306 1.934 20 10 BDCDLO Oc1cc2c(cc1C[NH2+]C(CF)CF)OCO2 ZINC000824556095 587276117 /nfs/dbraw/zinc/27/61/17/587276117.db2.gz ZXXCTTQIJYYLDW-UHFFFAOYSA-N 1 2 245.225 1.518 20 10 BDCDLO CCOc1cccc(C[NH2+][C@@H](C)C[NH3+])c1O ZINC000841063204 587941274 /nfs/dbraw/zinc/94/12/74/587941274.db2.gz JYCGMTQGPCZUOA-VIFPVBQESA-N 1 2 224.304 1.228 20 10 BDCDLO CCc1cccc(C[N@H+](C)Cc2nnc[nH]2)c1O ZINC000848886349 588416943 /nfs/dbraw/zinc/41/69/43/588416943.db2.gz DQKIRHIHEMHPEM-UHFFFAOYSA-N 1 2 246.314 1.705 20 10 BDCDLO CCc1cccc(C[N@@H+](C)Cc2nnc[nH]2)c1O ZINC000848886349 588416944 /nfs/dbraw/zinc/41/69/44/588416944.db2.gz DQKIRHIHEMHPEM-UHFFFAOYSA-N 1 2 246.314 1.705 20 10 BDCDLO C[N@H+](CCCCO)Cc1ccc(F)c(F)c1O ZINC000877470864 590335205 /nfs/dbraw/zinc/33/52/05/590335205.db2.gz KMFPWXPNHBYADE-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO C[N@@H+](CCCCO)Cc1ccc(F)c(F)c1O ZINC000877470864 590335207 /nfs/dbraw/zinc/33/52/07/590335207.db2.gz KMFPWXPNHBYADE-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO CC[N@H+](Cc1ccc(F)c(F)c1O)[C@@H](C)CO ZINC000877552139 590354881 /nfs/dbraw/zinc/35/48/81/590354881.db2.gz KVLQNNDNNXBQSW-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)[C@@H](C)CO ZINC000877552139 590354883 /nfs/dbraw/zinc/35/48/83/590354883.db2.gz KVLQNNDNNXBQSW-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO Cc1c[nH]c(CN2Cc3cccc(O)c3C2)[nH+]1 ZINC000877703091 590396336 /nfs/dbraw/zinc/39/63/36/590396336.db2.gz RCEGHCXGXJZGSU-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000128594123 591129153 /nfs/dbraw/zinc/12/91/53/591129153.db2.gz SVYDGWBJUATSQD-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO CCOC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000128594123 591129155 /nfs/dbraw/zinc/12/91/55/591129155.db2.gz SVYDGWBJUATSQD-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO C[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134899900 591957957 /nfs/dbraw/zinc/95/79/57/591957957.db2.gz OCEFYCUWARQNOH-RNFRBKRXSA-N 1 2 231.242 1.702 20 10 BDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1c(O)cccc1F ZINC000886592072 592269899 /nfs/dbraw/zinc/26/98/99/592269899.db2.gz KBYSDWCWUUISAJ-ZETCQYMHSA-N 1 2 249.232 1.810 20 10 BDCDLO CNC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000165413398 633091698 /nfs/dbraw/zinc/09/16/98/633091698.db2.gz SQJQSRFAQAOFED-UHFFFAOYSA-N 1 2 242.706 1.223 20 10 BDCDLO CNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000165413398 633091704 /nfs/dbraw/zinc/09/17/04/633091704.db2.gz SQJQSRFAQAOFED-UHFFFAOYSA-N 1 2 242.706 1.223 20 10 BDCDLO CC[C@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708486926 712211274 /nfs/dbraw/zinc/21/12/74/712211274.db2.gz STFJFACSQXDOPT-GFCCVEGCSA-N 1 2 245.269 1.921 20 10 BDCDLO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708440495 712194847 /nfs/dbraw/zinc/19/48/47/712194847.db2.gz BYXZJMZRHLDZQX-SNVBAGLBSA-N 1 2 242.269 1.464 20 10 BDCDLO Oc1cccc(Cl)c1C[NH2+]Cc1cnn[nH]1 ZINC000398379931 958235521 /nfs/dbraw/zinc/23/55/21/958235521.db2.gz GWKGBASSXJWPKQ-UHFFFAOYSA-N 1 2 238.678 1.454 20 10 BDCDLO CCc1ccc(C[NH+]2CC(OC(C)=O)C2)c(O)c1 ZINC001236794705 966537820 /nfs/dbraw/zinc/53/78/20/966537820.db2.gz NWBKEYWFTFZWBR-UHFFFAOYSA-N 1 2 249.310 1.702 20 10 BDCDLO COc1cccc(C[N@@H+]2CCC23COC3)c1O ZINC001203595471 966702037 /nfs/dbraw/zinc/70/20/37/966702037.db2.gz CHIWOMZWQQXMIH-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO COc1cccc(C[N@H+]2CCC23COC3)c1O ZINC001203595471 966702042 /nfs/dbraw/zinc/70/20/42/966702042.db2.gz CHIWOMZWQQXMIH-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCC1=O ZINC001203874964 966806905 /nfs/dbraw/zinc/80/69/05/966806905.db2.gz FYQQTALEMFCQEX-JTQLQIEISA-N 1 2 249.310 1.899 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCCC1=O ZINC001203874964 966806915 /nfs/dbraw/zinc/80/69/15/966806915.db2.gz FYQQTALEMFCQEX-JTQLQIEISA-N 1 2 249.310 1.899 20 10 BDCDLO OC[C@@]1(F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831639 990853697 /nfs/dbraw/zinc/85/36/97/990853697.db2.gz IGAMWPLOOFLYTG-GFCCVEGCSA-N 1 2 243.253 1.438 20 10 BDCDLO OC[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831639 990853701 /nfs/dbraw/zinc/85/37/01/990853701.db2.gz IGAMWPLOOFLYTG-GFCCVEGCSA-N 1 2 243.253 1.438 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001137831656 990854295 /nfs/dbraw/zinc/85/42/95/990854295.db2.gz IVGBDAXTOZPGAW-GXSJLCMTSA-N 1 2 229.226 1.046 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001137831656 990854300 /nfs/dbraw/zinc/85/43/00/990854300.db2.gz IVGBDAXTOZPGAW-GXSJLCMTSA-N 1 2 229.226 1.046 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138122536 990883390 /nfs/dbraw/zinc/88/33/90/990883390.db2.gz LMNNLZBQKSHPRX-VHSXEESVSA-N 1 2 229.226 1.046 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138122536 990883393 /nfs/dbraw/zinc/88/33/93/990883393.db2.gz LMNNLZBQKSHPRX-VHSXEESVSA-N 1 2 229.226 1.046 20 10 BDCDLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)c(O)c1 ZINC000184705191 187311224 /nfs/dbraw/zinc/31/12/24/187311224.db2.gz XJRIBXJGNHLPCH-SECBINFHSA-N 1 2 245.269 1.979 20 10 BDCDLO Cc1cccc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000290247160 179070539 /nfs/dbraw/zinc/07/05/39/179070539.db2.gz VHYDYBVWSSIYRC-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1cccc(C[N@H+](C)Cc2nncn2C)c1O ZINC000290247160 179070542 /nfs/dbraw/zinc/07/05/42/179070542.db2.gz VHYDYBVWSSIYRC-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO C[N@H+](Cc1ncc[nH]1)Cc1ccccc1O ZINC000111235372 383843570 /nfs/dbraw/zinc/84/35/70/383843570.db2.gz XXVKREPDJSFXIG-UHFFFAOYSA-N 1 2 217.272 1.747 20 10 BDCDLO C[N@@H+](Cc1ncc[nH]1)Cc1ccccc1O ZINC000111235372 383843573 /nfs/dbraw/zinc/84/35/73/383843573.db2.gz XXVKREPDJSFXIG-UHFFFAOYSA-N 1 2 217.272 1.747 20 10 BDCDLO Cn1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000092852464 384197075 /nfs/dbraw/zinc/19/70/75/384197075.db2.gz JQPCZNDTCWIJGA-UHFFFAOYSA-N 1 2 244.298 1.040 20 10 BDCDLO C[C@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000133551863 384254766 /nfs/dbraw/zinc/25/47/66/384254766.db2.gz AUFUXJGZDCVEDN-MRVPVSSYSA-N 1 2 229.707 1.906 20 10 BDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccccc1O ZINC000184699854 384641111 /nfs/dbraw/zinc/64/11/11/384641111.db2.gz KDYHHEOWCGIOPK-MRVPVSSYSA-N 1 2 231.242 1.670 20 10 BDCDLO Cc1ccc(O)c(C[N@H+](CCO)CC(F)F)c1 ZINC000193027982 385381540 /nfs/dbraw/zinc/38/15/40/385381540.db2.gz QBORWHUNHKQXDP-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+](CCO)CC(F)F)c1 ZINC000193027982 385381545 /nfs/dbraw/zinc/38/15/45/385381545.db2.gz QBORWHUNHKQXDP-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO CC[N@H+](CCCO)Cc1cccc(F)c1O ZINC000272315258 385893871 /nfs/dbraw/zinc/89/38/71/385893871.db2.gz SKSUHSOYCWDBPR-UHFFFAOYSA-N 1 2 227.279 1.736 20 10 BDCDLO CC[N@@H+](CCCO)Cc1cccc(F)c1O ZINC000272315258 385893874 /nfs/dbraw/zinc/89/38/74/385893874.db2.gz SKSUHSOYCWDBPR-UHFFFAOYSA-N 1 2 227.279 1.736 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179935289 410911386 /nfs/dbraw/zinc/91/13/86/410911386.db2.gz QEVSVBWJYCFDKL-UHFFFAOYSA-N 1 2 227.235 1.136 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179935289 410911392 /nfs/dbraw/zinc/91/13/92/410911392.db2.gz QEVSVBWJYCFDKL-UHFFFAOYSA-N 1 2 227.235 1.136 20 10 BDCDLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000049368733 170268154 /nfs/dbraw/zinc/26/81/54/170268154.db2.gz HRXSUWAXZYXWAL-UWVGGRQHSA-N 1 2 237.299 1.994 20 10 BDCDLO COc1cc(C)cc(C[NH2+]Cc2ccn[nH]2)c1O ZINC000894165712 583323414 /nfs/dbraw/zinc/32/34/14/583323414.db2.gz SELXGPIBVUNMSY-UHFFFAOYSA-N 1 2 247.298 1.722 20 10 BDCDLO COCC1C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000895976283 583753394 /nfs/dbraw/zinc/75/33/94/583753394.db2.gz NIMUZCAPWURXMS-UHFFFAOYSA-N 1 2 243.253 1.749 20 10 BDCDLO COCC1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895976991 583755469 /nfs/dbraw/zinc/75/54/69/583755469.db2.gz XDDIPURYBLQUAB-UHFFFAOYSA-N 1 2 243.253 1.749 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CNOC1 ZINC000904424964 584880881 /nfs/dbraw/zinc/88/08/81/584880881.db2.gz SFXRBNXGCCHZAK-MRVPVSSYSA-N 1 2 228.679 1.039 20 10 BDCDLO CC1(CO)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000839144880 585092088 /nfs/dbraw/zinc/09/20/88/585092088.db2.gz BVNXIBQCKPHSCM-UHFFFAOYSA-N 1 2 241.718 1.860 20 10 BDCDLO COc1ccc(C[NH2+]Cc2nonc2C)cc1C ZINC000809744041 586516868 /nfs/dbraw/zinc/51/68/68/586516868.db2.gz RQXCPVDRACUAJS-UHFFFAOYSA-N 1 2 247.298 1.985 20 10 BDCDLO OC[C@@H](CCF)[NH2+]Cc1cccc(Cl)c1O ZINC000846102201 588256567 /nfs/dbraw/zinc/25/65/67/588256567.db2.gz YXMLKAYHJIXNDX-SECBINFHSA-N 1 2 247.697 1.856 20 10 BDCDLO C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000863486842 589293391 /nfs/dbraw/zinc/29/33/91/589293391.db2.gz GMMYFOBTZVZNEC-GZMMTYOYSA-N 1 2 240.734 1.886 20 10 BDCDLO C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000863486842 589293393 /nfs/dbraw/zinc/29/33/93/589293393.db2.gz GMMYFOBTZVZNEC-GZMMTYOYSA-N 1 2 240.734 1.886 20 10 BDCDLO C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Cl)c1O ZINC000863486842 589293395 /nfs/dbraw/zinc/29/33/95/589293395.db2.gz GMMYFOBTZVZNEC-GZMMTYOYSA-N 1 2 240.734 1.886 20 10 BDCDLO Cn1ncc2c1C[N@H+](Cc1ccccc1O)C2 ZINC000877633043 590379266 /nfs/dbraw/zinc/37/92/66/590379266.db2.gz WYBCHDBRWMTSOQ-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1ncc2c1C[N@@H+](Cc1ccccc1O)C2 ZINC000877633043 590379269 /nfs/dbraw/zinc/37/92/69/590379269.db2.gz WYBCHDBRWMTSOQ-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1cocn1)C2 ZINC000877703029 590395611 /nfs/dbraw/zinc/39/56/11/590395611.db2.gz OXGJSFIGAZOREH-UHFFFAOYSA-N 1 2 216.240 1.896 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1cocn1)C2 ZINC000877703029 590395614 /nfs/dbraw/zinc/39/56/14/590395614.db2.gz OXGJSFIGAZOREH-UHFFFAOYSA-N 1 2 216.240 1.896 20 10 BDCDLO CC(=O)NCC[N@@H+](C)Cc1cccc(F)c1O ZINC000308292708 631273271 /nfs/dbraw/zinc/27/32/71/631273271.db2.gz IFGISWILOBRNJI-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO CC(=O)NCC[N@H+](C)Cc1cccc(F)c1O ZINC000308292708 631273275 /nfs/dbraw/zinc/27/32/75/631273275.db2.gz IFGISWILOBRNJI-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO Cc1nc(NCCc2ccc(O)c(O)c2)cc[nH+]1 ZINC000085689428 633928882 /nfs/dbraw/zinc/92/88/82/633928882.db2.gz ISZQFDWWDUNZAD-UHFFFAOYSA-N 1 2 245.282 1.851 20 10 BDCDLO CCNC(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000163727482 640413998 /nfs/dbraw/zinc/41/39/98/640413998.db2.gz LHVUFGHVFGCOSH-UHFFFAOYSA-N 1 2 242.706 1.271 20 10 BDCDLO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)OC ZINC000305450821 642661882 /nfs/dbraw/zinc/66/18/82/642661882.db2.gz LQAHRUFDDCFUKX-ONGXEEELSA-N 1 2 237.299 1.994 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827827196 645086704 /nfs/dbraw/zinc/08/67/04/645086704.db2.gz QHNCVLLUKRDOEW-KYZUINATSA-N 1 2 227.691 1.659 20 10 BDCDLO CC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394192 712192978 /nfs/dbraw/zinc/19/29/78/712192978.db2.gz RNOKAFISHOBQLC-VIFPVBQESA-N 1 2 231.242 1.531 20 10 BDCDLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1 ZINC000398084873 711401108 /nfs/dbraw/zinc/40/11/08/711401108.db2.gz PLRIEHDUNWDEKU-VIFPVBQESA-N 1 2 247.302 1.075 20 10 BDCDLO C[C@@H](CCCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708485644 712210973 /nfs/dbraw/zinc/21/09/73/712210973.db2.gz MHKRWOVZCVSBPI-QMMMGPOBSA-N 1 2 245.269 1.921 20 10 BDCDLO C[C@@H]1CN(Cc2c(O)cc(F)cc2F)C[C@H]1[NH3+] ZINC001206065070 971144275 /nfs/dbraw/zinc/14/42/75/971144275.db2.gz KTBSYLVFQHNTJF-RDDDGLTNSA-N 1 2 242.269 1.449 20 10 BDCDLO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001236022300 966233447 /nfs/dbraw/zinc/23/34/47/966233447.db2.gz DGDRKXKRJDNJEN-PRHODGIISA-N 1 2 240.253 1.203 20 10 BDCDLO C[C@H]1C[NH+](Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001203873302 966802818 /nfs/dbraw/zinc/80/28/18/966802818.db2.gz BNKCPVOCVOEOBU-UWVGGRQHSA-N 1 2 237.299 1.707 20 10 BDCDLO COc1cc(C[N@H+](C)CCF)cc(O)c1O ZINC001204351399 966975334 /nfs/dbraw/zinc/97/53/34/966975334.db2.gz QREUVQIDKZDGNU-UHFFFAOYSA-N 1 2 229.251 1.508 20 10 BDCDLO COc1cc(C[N@@H+](C)CCF)cc(O)c1O ZINC001204351399 966975341 /nfs/dbraw/zinc/97/53/41/966975341.db2.gz QREUVQIDKZDGNU-UHFFFAOYSA-N 1 2 229.251 1.508 20 10 BDCDLO Cc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001237491672 979916175 /nfs/dbraw/zinc/91/61/75/979916175.db2.gz MGSCQIJYZZHMHR-BETUJISGSA-N 1 2 246.354 1.979 20 10 BDCDLO Cc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001237491672 979916187 /nfs/dbraw/zinc/91/61/87/979916187.db2.gz MGSCQIJYZZHMHR-BETUJISGSA-N 1 2 246.354 1.979 20 10 BDCDLO Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001239315929 980526964 /nfs/dbraw/zinc/52/69/64/980526964.db2.gz IJQKWPPWADJWEZ-SNVBAGLBSA-N 1 2 228.242 1.645 20 10 BDCDLO CN1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137831478 990853731 /nfs/dbraw/zinc/85/37/31/990853731.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO CN1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137831478 990853734 /nfs/dbraw/zinc/85/37/34/990853734.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO Oc1cccc(F)c1C[NH+]1CC2(CC(O)C2)C1 ZINC001137831789 990855048 /nfs/dbraw/zinc/85/50/48/990855048.db2.gz NPRSZCCPIVWMMO-UHFFFAOYSA-N 1 2 237.274 1.488 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(N)cc1 ZINC000035360385 991122922 /nfs/dbraw/zinc/12/29/22/991122922.db2.gz PKDYOKKJAIBJNK-UHFFFAOYSA-N 1 2 222.288 1.264 20 10 BDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N)cc1 ZINC000035360385 991122926 /nfs/dbraw/zinc/12/29/26/991122926.db2.gz PKDYOKKJAIBJNK-UHFFFAOYSA-N 1 2 222.288 1.264 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140057644 991510275 /nfs/dbraw/zinc/51/02/75/991510275.db2.gz JADNAZQINUZRTM-GXSJLCMTSA-N 1 2 229.226 1.046 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140057644 991510283 /nfs/dbraw/zinc/51/02/83/991510283.db2.gz JADNAZQINUZRTM-GXSJLCMTSA-N 1 2 229.226 1.046 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000042304334 343434389 /nfs/dbraw/zinc/43/43/89/343434389.db2.gz HAAPXFRDLPBRIG-MRVPVSSYSA-N 1 2 239.271 1.052 20 10 BDCDLO Cc1cccc(C[NH2+][C@]2(C)CCOC2=O)c1O ZINC000290956148 188036321 /nfs/dbraw/zinc/03/63/21/188036321.db2.gz RBUPQXKINQUVLI-CYBMUJFWSA-N 1 2 235.283 1.496 20 10 BDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(F)cc1O ZINC000184698475 384639549 /nfs/dbraw/zinc/63/95/49/384639549.db2.gz XDESEPYKEZSQGV-SSDOTTSWSA-N 1 2 249.232 1.810 20 10 BDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000280809314 385607999 /nfs/dbraw/zinc/60/79/99/385607999.db2.gz JCBSROVPRKDYLX-QMMMGPOBSA-N 1 2 241.262 1.525 20 10 BDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000280809314 385608004 /nfs/dbraw/zinc/60/80/04/385608004.db2.gz JCBSROVPRKDYLX-QMMMGPOBSA-N 1 2 241.262 1.525 20 10 BDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000280820346 385608443 /nfs/dbraw/zinc/60/84/43/385608443.db2.gz JXZBUTCCOPJODI-QMMMGPOBSA-N 1 2 241.262 1.525 20 10 BDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000280820346 385608447 /nfs/dbraw/zinc/60/84/47/385608447.db2.gz JXZBUTCCOPJODI-QMMMGPOBSA-N 1 2 241.262 1.525 20 10 BDCDLO Cn1ncc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000289396437 386296009 /nfs/dbraw/zinc/29/60/09/386296009.db2.gz RUGCFOYFMRNXKP-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO Cn1ncc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000289396437 386296015 /nfs/dbraw/zinc/29/60/15/386296015.db2.gz RUGCFOYFMRNXKP-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccccc1O ZINC000276872862 386386340 /nfs/dbraw/zinc/38/63/40/386386340.db2.gz YRDCPAGYAUAMSA-SNVBAGLBSA-N 1 2 244.298 1.561 20 10 BDCDLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccccc1O ZINC000276872862 386386348 /nfs/dbraw/zinc/38/63/48/386386348.db2.gz YRDCPAGYAUAMSA-SNVBAGLBSA-N 1 2 244.298 1.561 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(F)c(F)c1O ZINC000187737991 386588987 /nfs/dbraw/zinc/58/89/87/386588987.db2.gz IMSDUUJUUBYCHQ-NKWVEPMBSA-N 1 2 231.242 1.702 20 10 BDCDLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000049368738 170268522 /nfs/dbraw/zinc/26/85/22/170268522.db2.gz HRXSUWAXZYXWAL-ZJUUUORDSA-N 1 2 237.299 1.994 20 10 BDCDLO C[N@@H+]1CCCN(Cc2cccc(F)c2O)CC1 ZINC000160193324 173017764 /nfs/dbraw/zinc/01/77/64/173017764.db2.gz PUFKNHMOIMVQDU-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO C[N@H+]1CCCN(Cc2cccc(F)c2O)CC1 ZINC000160193324 173017767 /nfs/dbraw/zinc/01/77/67/173017767.db2.gz PUFKNHMOIMVQDU-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO CN1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000160193324 173017769 /nfs/dbraw/zinc/01/77/69/173017769.db2.gz PUFKNHMOIMVQDU-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO CN1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000160193324 173017771 /nfs/dbraw/zinc/01/77/71/173017771.db2.gz PUFKNHMOIMVQDU-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000179710126 173579081 /nfs/dbraw/zinc/57/90/81/173579081.db2.gz HLEJXTKRQKMUSI-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000179710126 173579082 /nfs/dbraw/zinc/57/90/82/173579082.db2.gz HLEJXTKRQKMUSI-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=CC(=O)CS1 ZINC000734865411 584969156 /nfs/dbraw/zinc/96/91/56/584969156.db2.gz RXFLHQZZHMLYNV-UHFFFAOYSA-N 1 2 237.284 1.449 20 10 BDCDLO CCn1ncc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000838800149 585069182 /nfs/dbraw/zinc/06/91/82/585069182.db2.gz QSZWMPYBYBKOHA-UHFFFAOYSA-N 1 2 246.314 1.636 20 10 BDCDLO O=C(OCCn1cc[nH+]c1)C1=CC(=O)CS1 ZINC000771957398 585605385 /nfs/dbraw/zinc/60/53/85/585605385.db2.gz HKEIRFUUKDBSAI-UHFFFAOYSA-N 1 2 238.268 1.507 20 10 BDCDLO C[C@H]([NH2+][C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000774481026 585660203 /nfs/dbraw/zinc/66/02/03/585660203.db2.gz HBPYPHCFSVIIGM-GWCFXTLKSA-N 1 2 248.326 1.719 20 10 BDCDLO C[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775649302 585682384 /nfs/dbraw/zinc/68/23/84/585682384.db2.gz NYPAICIVUNFWAE-UHFFFAOYSA-N 1 2 246.669 1.102 20 10 BDCDLO C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775649302 585682385 /nfs/dbraw/zinc/68/23/85/585682385.db2.gz NYPAICIVUNFWAE-UHFFFAOYSA-N 1 2 246.669 1.102 20 10 BDCDLO C[C@H](NCC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817954137 586848632 /nfs/dbraw/zinc/84/86/32/586848632.db2.gz VGBWOEQFDQRIMN-VIFPVBQESA-N 1 2 238.306 1.934 20 10 BDCDLO C[C@H](O)C[N@@H+](Cc1ccccc1O)CC(F)F ZINC000825098701 587303940 /nfs/dbraw/zinc/30/39/40/587303940.db2.gz MMNDIWHGXMCKJT-VIFPVBQESA-N 1 2 245.269 1.840 20 10 BDCDLO C[C@H](O)C[N@H+](Cc1ccccc1O)CC(F)F ZINC000825098701 587303942 /nfs/dbraw/zinc/30/39/42/587303942.db2.gz MMNDIWHGXMCKJT-VIFPVBQESA-N 1 2 245.269 1.840 20 10 BDCDLO C[N@H+](Cc1c[nH]cn1)Cc1cc(F)ccc1O ZINC000826768525 587361543 /nfs/dbraw/zinc/36/15/43/587361543.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[N@@H+](Cc1c[nH]cn1)Cc1cc(F)ccc1O ZINC000826768525 587361544 /nfs/dbraw/zinc/36/15/44/587361544.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[N@H+](Cc1cnc[nH]1)Cc1cc(F)ccc1O ZINC000826768525 587361545 /nfs/dbraw/zinc/36/15/45/587361545.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[N@@H+](Cc1cnc[nH]1)Cc1cc(F)ccc1O ZINC000826768525 587361546 /nfs/dbraw/zinc/36/15/46/587361546.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO Oc1c(F)cccc1CN[C@H]1CCC[NH2+]C1 ZINC000841042616 587938473 /nfs/dbraw/zinc/93/84/73/587938473.db2.gz LTHOSMCSECAYGJ-JTQLQIEISA-N 1 2 224.279 1.373 20 10 BDCDLO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043842 587939230 /nfs/dbraw/zinc/93/92/30/587939230.db2.gz XIJVCPFKTOKFHU-JTQLQIEISA-N 1 2 240.734 1.887 20 10 BDCDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877467643 590334276 /nfs/dbraw/zinc/33/42/76/590334276.db2.gz LNBVZBAUVHKQJK-CBAPKCEASA-N 1 2 243.253 1.626 20 10 BDCDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877467643 590334280 /nfs/dbraw/zinc/33/42/80/590334280.db2.gz LNBVZBAUVHKQJK-CBAPKCEASA-N 1 2 243.253 1.626 20 10 BDCDLO COC[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877551295 590355172 /nfs/dbraw/zinc/35/51/72/590355172.db2.gz YTTIPAOTBIZNKZ-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877551295 590355175 /nfs/dbraw/zinc/35/51/75/590355175.db2.gz YTTIPAOTBIZNKZ-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO CN(C)c1ccc(C[NH+]2CC(C)(O)C2)cc1F ZINC000877580379 590364960 /nfs/dbraw/zinc/36/49/60/590364960.db2.gz BHYJVAAVXJWSHS-UHFFFAOYSA-N 1 2 238.306 1.458 20 10 BDCDLO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)nn1C ZINC000877703215 590396712 /nfs/dbraw/zinc/39/67/12/590396712.db2.gz WKDGPYAHECOMOJ-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)nn1C ZINC000877703215 590396715 /nfs/dbraw/zinc/39/67/15/590396715.db2.gz WKDGPYAHECOMOJ-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO COC(=O)[C@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000879649592 590841823 /nfs/dbraw/zinc/84/18/23/590841823.db2.gz WYSNYYPVYGJVGW-NOZJJQNGSA-N 1 2 249.310 1.994 20 10 BDCDLO C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134914128 591958926 /nfs/dbraw/zinc/95/89/26/591958926.db2.gz IXANYTFAWCRUIM-RNFRBKRXSA-N 1 2 231.242 1.702 20 10 BDCDLO CN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000162861509 633039925 /nfs/dbraw/zinc/03/99/25/633039925.db2.gz KQUSQGYUGUCHFX-SNVBAGLBSA-N 1 2 240.734 1.839 20 10 BDCDLO C[C@@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162865152 635143248 /nfs/dbraw/zinc/14/32/48/635143248.db2.gz QSWCCWFAYVVAJC-MRVPVSSYSA-N 1 2 229.707 1.906 20 10 BDCDLO CN(C)c1noc(C[NH2+]Cc2ccccc2O)n1 ZINC000190009735 641829892 /nfs/dbraw/zinc/82/98/92/641829892.db2.gz NGFIXJVTKSWFPK-UHFFFAOYSA-N 1 2 248.286 1.131 20 10 BDCDLO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)OC ZINC000305450818 642660591 /nfs/dbraw/zinc/66/05/91/642660591.db2.gz LQAHRUFDDCFUKX-KOLCDFICSA-N 1 2 237.299 1.994 20 10 BDCDLO CN(Cc1ccccc1O)C(=O)Cn1cc[nH+]c1 ZINC000383631343 710984545 /nfs/dbraw/zinc/98/45/45/710984545.db2.gz KKJRRNARCLHKJM-UHFFFAOYSA-N 1 2 245.282 1.247 20 10 BDCDLO Oc1c(C[N@@H+]2CCCOCC2)ccc(F)c1F ZINC000703489605 712077535 /nfs/dbraw/zinc/07/75/35/712077535.db2.gz GPNGJPKMGIXZOM-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO Oc1c(C[N@H+]2CCCOCC2)ccc(F)c1F ZINC000703489605 712077538 /nfs/dbraw/zinc/07/75/38/712077538.db2.gz GPNGJPKMGIXZOM-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO OC/C=C\C[NH2+]Cc1cccc(Cl)c1O ZINC000717534704 712660721 /nfs/dbraw/zinc/66/07/21/712660721.db2.gz SAJPKSZYWCQOBL-UPHRSURJSA-N 1 2 227.691 1.684 20 10 BDCDLO CC1(C[NH3+])CN(Cc2ccc(F)c(F)c2O)C1 ZINC001206729395 968445277 /nfs/dbraw/zinc/44/52/77/968445277.db2.gz FPOCNGKASJCCEE-UHFFFAOYSA-N 1 2 242.269 1.451 20 10 BDCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC(O)CC1 ZINC001233331577 978559820 /nfs/dbraw/zinc/55/98/20/978559820.db2.gz CAFZLYJHCIPHRT-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ncc[nH]1 ZINC000708437293 959435531 /nfs/dbraw/zinc/43/55/31/959435531.db2.gz QSTNYEOQGPVONR-UHFFFAOYSA-N 1 2 239.225 1.683 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1ncco1)CC2 ZINC001141010669 960813409 /nfs/dbraw/zinc/81/34/09/960813409.db2.gz CNBFYCPYHKUOOM-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1ncco1)CC2 ZINC001141010669 960813414 /nfs/dbraw/zinc/81/34/14/960813414.db2.gz CNBFYCPYHKUOOM-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCC1=O ZINC001203874965 966805980 /nfs/dbraw/zinc/80/59/80/966805980.db2.gz FYQQTALEMFCQEX-SNVBAGLBSA-N 1 2 249.310 1.899 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCCC1=O ZINC001203874965 966805985 /nfs/dbraw/zinc/80/59/85/966805985.db2.gz FYQQTALEMFCQEX-SNVBAGLBSA-N 1 2 249.310 1.899 20 10 BDCDLO Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC001203875815 966805994 /nfs/dbraw/zinc/80/59/94/966805994.db2.gz WHPVSGNRXSKCSS-PHIMTYICSA-N 1 2 235.283 1.461 20 10 BDCDLO Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC001203875815 966805995 /nfs/dbraw/zinc/80/59/95/966805995.db2.gz WHPVSGNRXSKCSS-PHIMTYICSA-N 1 2 235.283 1.461 20 10 BDCDLO C[N@H+](Cc1ccno1)Cc1ccc(O)c(O)c1 ZINC001203881865 966808777 /nfs/dbraw/zinc/80/87/77/966808777.db2.gz VXQRXYXUWKYWED-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO C[N@@H+](Cc1ccno1)Cc1ccc(O)c(O)c1 ZINC001203881865 966808778 /nfs/dbraw/zinc/80/87/78/966808778.db2.gz VXQRXYXUWKYWED-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001204275394 966952236 /nfs/dbraw/zinc/95/22/36/966952236.db2.gz PZZDMBXYZYTPDV-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO Oc1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001204275394 966952245 /nfs/dbraw/zinc/95/22/45/966952245.db2.gz PZZDMBXYZYTPDV-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO CNc1ccccc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169137061 969440522 /nfs/dbraw/zinc/44/05/22/969440522.db2.gz SWYZQHLCEHFFJT-SKDRFNHKSA-N 1 2 249.314 1.044 20 10 BDCDLO C[N@H+](Cc1ccon1)Cc1ccc(O)cc1O ZINC001204279208 978944410 /nfs/dbraw/zinc/94/44/10/978944410.db2.gz SQIKCUSXZYTSGP-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO C[N@@H+](Cc1ccon1)Cc1ccc(O)cc1O ZINC001204279208 978944416 /nfs/dbraw/zinc/94/44/16/978944416.db2.gz SQIKCUSXZYTSGP-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC001203561998 979792761 /nfs/dbraw/zinc/79/27/61/979792761.db2.gz AKZQYQMWGXGBDX-ZDUSSCGKSA-N 1 2 235.283 1.182 20 10 BDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC001203561998 979792773 /nfs/dbraw/zinc/79/27/73/979792773.db2.gz AKZQYQMWGXGBDX-ZDUSSCGKSA-N 1 2 235.283 1.182 20 10 BDCDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880731 982576143 /nfs/dbraw/zinc/57/61/43/982576143.db2.gz XNQHFXNCYWZEBA-FZMZJTMJSA-N 1 2 249.310 1.851 20 10 BDCDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880731 982576149 /nfs/dbraw/zinc/57/61/49/982576149.db2.gz XNQHFXNCYWZEBA-FZMZJTMJSA-N 1 2 249.310 1.851 20 10 BDCDLO CN(C)c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000036900214 343326654 /nfs/dbraw/zinc/32/66/54/343326654.db2.gz UMCZQSMRPMFITA-UHFFFAOYSA-N 1 2 230.315 1.766 20 10 BDCDLO CN(C)c1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000036902093 343326927 /nfs/dbraw/zinc/32/69/27/343326927.db2.gz DATUMCLEFWVHPX-UHFFFAOYSA-N 1 2 248.355 1.894 20 10 BDCDLO Cc1ccc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275772815 384414138 /nfs/dbraw/zinc/41/41/38/384414138.db2.gz HELOPBFLSSXAQD-SNVBAGLBSA-N 1 2 246.314 1.680 20 10 BDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1cc(F)ccc1O ZINC000184712898 384640270 /nfs/dbraw/zinc/64/02/70/384640270.db2.gz JMPURMLBWYHDOE-ZETCQYMHSA-N 1 2 249.232 1.810 20 10 BDCDLO C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273435647 386001894 /nfs/dbraw/zinc/00/18/94/386001894.db2.gz WWHNQNDCKOLWAB-SFYZADRCSA-N 1 2 240.259 1.332 20 10 BDCDLO Cc1cc(-c2[nH+]ccn2C)c2c(c1)C(=O)NCC2 ZINC000656369577 488081386 /nfs/dbraw/zinc/08/13/86/488081386.db2.gz DNYOTRUSFNPVRL-UHFFFAOYSA-N 1 2 241.294 1.681 20 10 BDCDLO Cn1ccc(C[NH2+]Cc2c(O)cccc2F)n1 ZINC000896639303 583819817 /nfs/dbraw/zinc/81/98/17/583819817.db2.gz CYKVTZVXCIIIOB-UHFFFAOYSA-N 1 2 235.262 1.555 20 10 BDCDLO Cc1cc(O)c(C[NH2+]Cc2cn[nH]n2)cc1C ZINC000858197418 588938507 /nfs/dbraw/zinc/93/85/07/588938507.db2.gz DKKATCTVXCFSRS-UHFFFAOYSA-N 1 2 232.287 1.417 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCOCC12CC2 ZINC000802658675 586309375 /nfs/dbraw/zinc/30/93/75/586309375.db2.gz MDVIIDDJEMQMDH-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCOCC12CC2 ZINC000802658675 586309378 /nfs/dbraw/zinc/30/93/78/586309378.db2.gz MDVIIDDJEMQMDH-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO C[C@H]([NH2+]CC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817934052 586842784 /nfs/dbraw/zinc/84/27/84/586842784.db2.gz AZWOYPLNDVNFLV-LURJTMIESA-N 1 2 216.231 1.280 20 10 BDCDLO C[C@H](NCC(F)(F)C[NH3+])c1ccc(F)cc1O ZINC000817966684 586850844 /nfs/dbraw/zinc/85/08/44/586850844.db2.gz SYJXODUVVMSLOQ-ZETCQYMHSA-N 1 2 248.248 1.776 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000827884625 587407756 /nfs/dbraw/zinc/40/77/56/587407756.db2.gz DWFSZKZYNDCEHX-UHFFFAOYSA-N 1 2 248.261 1.208 20 10 BDCDLO CN(Cc1cccc(F)c1O)C1(C[NH3+])CCC1 ZINC000843125300 588083543 /nfs/dbraw/zinc/08/35/43/588083543.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 1 2 238.306 1.845 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843125300 588083544 /nfs/dbraw/zinc/08/35/44/588083544.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 1 2 238.306 1.845 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843125300 588083545 /nfs/dbraw/zinc/08/35/45/588083545.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 1 2 238.306 1.845 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876586135 590218604 /nfs/dbraw/zinc/21/86/04/590218604.db2.gz AEQKGGGVTKAAHA-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1c(C)cccc1O ZINC000876586135 590218605 /nfs/dbraw/zinc/21/86/05/590218605.db2.gz AEQKGGGVTKAAHA-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO CC[N@H+](CCCO)Cc1ccc(F)c(F)c1O ZINC000876766883 590239847 /nfs/dbraw/zinc/23/98/47/590239847.db2.gz VLLPWQIDJWWMKU-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO CC[N@@H+](CCCO)Cc1ccc(F)c(F)c1O ZINC000876766883 590239849 /nfs/dbraw/zinc/23/98/49/590239849.db2.gz VLLPWQIDJWWMKU-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO Cc1ccc(C[NH2+]Cc2ccn[nH]2)c(O)c1 ZINC000876914949 590256529 /nfs/dbraw/zinc/25/65/29/590256529.db2.gz JJIKBVLZNPWIGP-UHFFFAOYSA-N 1 2 217.272 1.714 20 10 BDCDLO Cc1cccc(O)c1C[NH2+]Cc1ccn[nH]1 ZINC000876914970 590256576 /nfs/dbraw/zinc/25/65/76/590256576.db2.gz JPMUODBIHZQFPP-UHFFFAOYSA-N 1 2 217.272 1.714 20 10 BDCDLO CN(C)c1ccc(/C=C\C[NH+]2CC(C)(O)C2)cc1 ZINC000877581310 590365389 /nfs/dbraw/zinc/36/53/89/590365389.db2.gz WFYFEYVLZZCCMX-PLNGDYQASA-N 1 2 246.354 1.832 20 10 BDCDLO Cn1ccc(C[N@@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703431 590396424 /nfs/dbraw/zinc/39/64/24/590396424.db2.gz IZNASXNZVWQEJC-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1ccc(C[N@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703431 590396427 /nfs/dbraw/zinc/39/64/27/590396427.db2.gz IZNASXNZVWQEJC-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cc1ccc(O)c(C[NH+]2CCS(=O)CC2)c1 ZINC000132682866 591730863 /nfs/dbraw/zinc/73/08/63/591730863.db2.gz RMDGMBQOBSJRQZ-UHFFFAOYSA-N 1 2 239.340 1.265 20 10 BDCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1O ZINC000228802358 640897054 /nfs/dbraw/zinc/89/70/54/640897054.db2.gz AAVDYKSVZNAFCS-VIFPVBQESA-N 1 2 232.287 1.372 20 10 BDCDLO Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)c(O)c1 ZINC000877459434 645797114 /nfs/dbraw/zinc/79/71/14/645797114.db2.gz JKHOOOUUYMSGSI-SNVBAGLBSA-N 1 2 246.314 1.680 20 10 BDCDLO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534684 712211841 /nfs/dbraw/zinc/21/18/41/712211841.db2.gz DDCHXPKUZGARAF-RDDDGLTNSA-N 1 2 243.253 1.795 20 10 BDCDLO C[C@H]([NH2+]Cc1c[nH]nn1)c1ccccc1O ZINC000398319862 711585120 /nfs/dbraw/zinc/58/51/20/711585120.db2.gz YSHHTVNQAXGNTJ-QMMMGPOBSA-N 1 2 218.260 1.361 20 10 BDCDLO C[C@H]([NH2+]Cc1cn[nH]n1)c1ccccc1O ZINC000398319862 711585123 /nfs/dbraw/zinc/58/51/23/711585123.db2.gz YSHHTVNQAXGNTJ-QMMMGPOBSA-N 1 2 218.260 1.361 20 10 BDCDLO C[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142502462 961458447 /nfs/dbraw/zinc/45/84/47/961458447.db2.gz PMNJNRPPZSWBRF-UHFFFAOYSA-N 1 2 242.269 1.418 20 10 BDCDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1[NH3+] ZINC001206070404 968039064 /nfs/dbraw/zinc/03/90/64/968039064.db2.gz HWWSKIPHSICXRB-GMSGAONNSA-N 1 2 242.269 1.449 20 10 BDCDLO [NH3+][C@@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001236169662 979425025 /nfs/dbraw/zinc/42/50/25/979425025.db2.gz RCGQCDOTIDBMRE-SSDOTTSWSA-N 1 2 228.242 1.203 20 10 BDCDLO Oc1ccc(O)c(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001141156888 960897842 /nfs/dbraw/zinc/89/78/42/960897842.db2.gz WNKKRZGVZWPQQJ-UHFFFAOYSA-N 1 2 249.310 1.853 20 10 BDCDLO CN(C)c1cc(NCc2ccc(N)cc2)[nH+]cn1 ZINC001162784919 965170021 /nfs/dbraw/zinc/17/00/21/965170021.db2.gz ZHOCPXTXCUKFOD-UHFFFAOYSA-N 1 2 243.314 1.737 20 10 BDCDLO CN(C)c1cc(NCc2ccc(N)cc2)nc[nH+]1 ZINC001162784919 965170040 /nfs/dbraw/zinc/17/00/40/965170040.db2.gz ZHOCPXTXCUKFOD-UHFFFAOYSA-N 1 2 243.314 1.737 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1O ZINC001203550128 966932873 /nfs/dbraw/zinc/93/28/73/966932873.db2.gz ITVKYJZWMRQEJU-JTQLQIEISA-N 1 2 221.256 1.140 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1O ZINC001203550128 966932877 /nfs/dbraw/zinc/93/28/77/966932877.db2.gz ITVKYJZWMRQEJU-JTQLQIEISA-N 1 2 221.256 1.140 20 10 BDCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1ccno1 ZINC001205305847 967500371 /nfs/dbraw/zinc/50/03/71/967500371.db2.gz MANJGOPKINRLJB-UHFFFAOYSA-N 1 2 240.209 1.948 20 10 BDCDLO C[N@H+](Cc1cc(Cl)c(O)cc1O)C1COC1 ZINC001232268425 977989188 /nfs/dbraw/zinc/98/91/88/977989188.db2.gz PAGVFQBXIYSEFM-UHFFFAOYSA-N 1 2 243.690 1.582 20 10 BDCDLO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C1COC1 ZINC001232268425 977989197 /nfs/dbraw/zinc/98/91/97/977989197.db2.gz PAGVFQBXIYSEFM-UHFFFAOYSA-N 1 2 243.690 1.582 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1F ZINC001233010177 978406293 /nfs/dbraw/zinc/40/62/93/978406293.db2.gz MOSRFVXHKLCTRZ-APPZFPTMSA-N 1 2 241.262 1.593 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1F ZINC001233010177 978406302 /nfs/dbraw/zinc/40/63/02/978406302.db2.gz MOSRFVXHKLCTRZ-APPZFPTMSA-N 1 2 241.262 1.593 20 10 BDCDLO Oc1ccc(F)c(F)c1C[NH+]1CC2(COC2)C1 ZINC001233331813 978563195 /nfs/dbraw/zinc/56/31/95/978563195.db2.gz MEHKIFIAJDADFE-UHFFFAOYSA-N 1 2 241.237 1.503 20 10 BDCDLO COC1(C)C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482777 978613042 /nfs/dbraw/zinc/61/30/42/978613042.db2.gz BQWJXERDQONVQB-UHFFFAOYSA-N 1 2 239.271 1.024 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1c(C)cccc1O ZINC001237484286 979912628 /nfs/dbraw/zinc/91/26/28/979912628.db2.gz AGTVKNHMTXLVHE-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1c(C)cccc1O ZINC001237484286 979912635 /nfs/dbraw/zinc/91/26/35/979912635.db2.gz AGTVKNHMTXLVHE-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)[nH]n1 ZINC001119303513 988920199 /nfs/dbraw/zinc/92/01/99/988920199.db2.gz AHEYENRBYJBKNN-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)[nH]n1 ZINC001119303513 988920207 /nfs/dbraw/zinc/92/02/07/988920207.db2.gz AHEYENRBYJBKNN-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO C[N@H+](Cc1ccon1)Cc1ccc(N)cc1 ZINC001120371386 989646557 /nfs/dbraw/zinc/64/65/57/989646557.db2.gz XHVCWPSATJSEOE-UHFFFAOYSA-N 1 2 217.272 1.889 20 10 BDCDLO C[N@@H+](Cc1ccon1)Cc1ccc(N)cc1 ZINC001120371386 989646561 /nfs/dbraw/zinc/64/65/61/989646561.db2.gz XHVCWPSATJSEOE-UHFFFAOYSA-N 1 2 217.272 1.889 20 10 BDCDLO CC[N@H+](Cc1c(O)cccc1F)C1COC1 ZINC001137839213 990858944 /nfs/dbraw/zinc/85/89/44/990858944.db2.gz WVVNGOVZNJABOM-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CC[N@@H+](Cc1c(O)cccc1F)C1COC1 ZINC001137839213 990858948 /nfs/dbraw/zinc/85/89/48/990858948.db2.gz WVVNGOVZNJABOM-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[C@@H]31)OCO2 ZINC000368313083 183261552 /nfs/dbraw/zinc/26/15/52/183261552.db2.gz SOVQWRZILGRGEJ-GXSJLCMTSA-N 1 2 249.266 1.094 20 10 BDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3C[C@@H]31)OCO2 ZINC000368313083 183261555 /nfs/dbraw/zinc/26/15/55/183261555.db2.gz SOVQWRZILGRGEJ-GXSJLCMTSA-N 1 2 249.266 1.094 20 10 BDCDLO Cn1ccnc1C[N@H+](C)Cc1ccccc1O ZINC000096477929 384461432 /nfs/dbraw/zinc/46/14/32/384461432.db2.gz PXJJJAPHDGNOFW-UHFFFAOYSA-N 1 2 231.299 1.758 20 10 BDCDLO Cn1ccnc1C[N@@H+](C)Cc1ccccc1O ZINC000096477929 384461435 /nfs/dbraw/zinc/46/14/35/384461435.db2.gz PXJJJAPHDGNOFW-UHFFFAOYSA-N 1 2 231.299 1.758 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000165151857 385073073 /nfs/dbraw/zinc/07/30/73/385073073.db2.gz DTIUVFSLGHXIRV-ZETCQYMHSA-N 1 2 243.690 1.697 20 10 BDCDLO CN(C)CC[N@H+](C)Cc1cccc(F)c1O ZINC000165418027 385122133 /nfs/dbraw/zinc/12/21/33/385122133.db2.gz NHVAGEKAEJZYLU-UHFFFAOYSA-N 1 2 226.295 1.525 20 10 BDCDLO CN(C)CC[N@@H+](C)Cc1cccc(F)c1O ZINC000165418027 385122141 /nfs/dbraw/zinc/12/21/41/385122141.db2.gz NHVAGEKAEJZYLU-UHFFFAOYSA-N 1 2 226.295 1.525 20 10 BDCDLO C[N@H+](Cc1nnc[nH]1)Cc1ccccc1O ZINC000179577424 385476179 /nfs/dbraw/zinc/47/61/79/385476179.db2.gz VKGMHBFUDJPLFZ-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@@H+](Cc1nnc[nH]1)Cc1ccccc1O ZINC000179577424 385476184 /nfs/dbraw/zinc/47/61/84/385476184.db2.gz VKGMHBFUDJPLFZ-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000171801724 385518947 /nfs/dbraw/zinc/51/89/47/385518947.db2.gz XUCFCROLRJEZNU-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000171801724 385518951 /nfs/dbraw/zinc/51/89/51/385518951.db2.gz XUCFCROLRJEZNU-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO CC[N@H+](CC(=O)OC)Cc1cccc(F)c1O ZINC000272233354 385885881 /nfs/dbraw/zinc/88/58/81/385885881.db2.gz FGDSBPSWQYGXBY-UHFFFAOYSA-N 1 2 241.262 1.526 20 10 BDCDLO CC[N@@H+](CC(=O)OC)Cc1cccc(F)c1O ZINC000272233354 385885883 /nfs/dbraw/zinc/88/58/83/385885883.db2.gz FGDSBPSWQYGXBY-UHFFFAOYSA-N 1 2 241.262 1.526 20 10 BDCDLO C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187737974 386589476 /nfs/dbraw/zinc/58/94/76/386589476.db2.gz IMSDUUJUUBYCHQ-RQJHMYQMSA-N 1 2 231.242 1.702 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1ccccc1O ZINC000119529357 170214511 /nfs/dbraw/zinc/21/45/11/170214511.db2.gz SCCWMGQWIKXWMO-UHFFFAOYSA-N 1 2 223.272 1.387 20 10 BDCDLO CCOC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000119529357 170214512 /nfs/dbraw/zinc/21/45/12/170214512.db2.gz SCCWMGQWIKXWMO-UHFFFAOYSA-N 1 2 223.272 1.387 20 10 BDCDLO C[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000162804006 173088016 /nfs/dbraw/zinc/08/80/16/173088016.db2.gz QZVTZUPDDKTVNR-UHFFFAOYSA-N 1 2 240.734 1.793 20 10 BDCDLO CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000162804006 173088020 /nfs/dbraw/zinc/08/80/20/173088020.db2.gz QZVTZUPDDKTVNR-UHFFFAOYSA-N 1 2 240.734 1.793 20 10 BDCDLO CO[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000895969044 583755204 /nfs/dbraw/zinc/75/52/04/583755204.db2.gz VUBNUMIJOISOKD-GFCCVEGCSA-N 1 2 241.262 1.336 20 10 BDCDLO CO[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000895969044 583755205 /nfs/dbraw/zinc/75/52/05/583755205.db2.gz VUBNUMIJOISOKD-GFCCVEGCSA-N 1 2 241.262 1.336 20 10 BDCDLO CCOc1ccc(C[NH2+]Cc2c[nH]nn2)c(O)c1 ZINC000858198013 588938386 /nfs/dbraw/zinc/93/83/86/588938386.db2.gz KBYVPGUOPQMBGL-UHFFFAOYSA-N 1 2 248.286 1.199 20 10 BDCDLO CCOc1ccc(C[NH2+]Cc2cn[nH]n2)c(O)c1 ZINC000858198013 588938387 /nfs/dbraw/zinc/93/83/87/588938387.db2.gz KBYVPGUOPQMBGL-UHFFFAOYSA-N 1 2 248.286 1.199 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CNOC1 ZINC000904424953 584880899 /nfs/dbraw/zinc/88/08/99/584880899.db2.gz RXLJAONWJJQRRN-MRVPVSSYSA-N 1 2 246.669 1.178 20 10 BDCDLO Oc1ccccc1C[NH+]1CC(OC(F)F)C1 ZINC000839145578 585092525 /nfs/dbraw/zinc/09/25/25/585092525.db2.gz UMPRYHUWHDDWPY-UHFFFAOYSA-N 1 2 229.226 1.816 20 10 BDCDLO COC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839127559 585093235 /nfs/dbraw/zinc/09/32/35/585093235.db2.gz FWTSMLINYOWWHT-UHFFFAOYSA-N 1 2 227.691 1.876 20 10 BDCDLO Cc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1O ZINC000775712081 585683541 /nfs/dbraw/zinc/68/35/41/585683541.db2.gz DGBSERZVMHKNHX-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1O ZINC000775712081 585683542 /nfs/dbraw/zinc/68/35/42/585683542.db2.gz DGBSERZVMHKNHX-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000813790494 586606409 /nfs/dbraw/zinc/60/64/09/586606409.db2.gz UFVSPXGBFBURLK-JTQLQIEISA-N 1 2 240.259 1.161 20 10 BDCDLO CC[C@H](NCC[NH2+]C)c1ccc(F)cc1O ZINC000817953275 586849005 /nfs/dbraw/zinc/84/90/05/586849005.db2.gz YHGLUSDNJWNEQV-NSHDSACASA-N 1 2 226.295 1.791 20 10 BDCDLO CC[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876526671 590208757 /nfs/dbraw/zinc/20/87/57/590208757.db2.gz AMUZOXFETZIXRA-UHFFFAOYSA-N 1 2 231.242 1.485 20 10 BDCDLO CC[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876526671 590208759 /nfs/dbraw/zinc/20/87/59/590208759.db2.gz AMUZOXFETZIXRA-UHFFFAOYSA-N 1 2 231.242 1.485 20 10 BDCDLO Cc1ccc(C[N@@H+]2CCn3ccnc3C2)c(O)c1 ZINC000876676637 590229944 /nfs/dbraw/zinc/22/99/44/590229944.db2.gz SYOTWELMLRDTID-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(C[N@H+]2CCn3ccnc3C2)c(O)c1 ZINC000876676637 590229946 /nfs/dbraw/zinc/22/99/46/590229946.db2.gz SYOTWELMLRDTID-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(CN2CCn3cc[nH+]c3C2)c(O)c1 ZINC000876676637 590229947 /nfs/dbraw/zinc/22/99/47/590229947.db2.gz SYOTWELMLRDTID-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO CC[C@@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877555899 590356012 /nfs/dbraw/zinc/35/60/12/590356012.db2.gz GJQQTSLITAQCPA-VIFPVBQESA-N 1 2 245.269 1.873 20 10 BDCDLO CC[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877555899 590356015 /nfs/dbraw/zinc/35/60/15/590356015.db2.gz GJQQTSLITAQCPA-VIFPVBQESA-N 1 2 245.269 1.873 20 10 BDCDLO CC1(O)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000877580832 590365158 /nfs/dbraw/zinc/36/51/58/590365158.db2.gz IOKAEPXJJOUXGG-UHFFFAOYSA-N 1 2 227.691 1.612 20 10 BDCDLO C[C@@H]([NH2+]Cc1ccccc1O)c1ncn(C)n1 ZINC000391853511 711139899 /nfs/dbraw/zinc/13/98/99/711139899.db2.gz RUIQZOSNAAPJGP-SECBINFHSA-N 1 2 232.287 1.372 20 10 BDCDLO CC1([NH3+])CN(Cc2c(F)ccc(F)c2O)C1 ZINC001204974305 963231510 /nfs/dbraw/zinc/23/15/10/963231510.db2.gz SFTKXLKWVSERJQ-UHFFFAOYSA-N 1 2 228.242 1.203 20 10 BDCDLO CNc1ccccc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164312616 965841573 /nfs/dbraw/zinc/84/15/73/965841573.db2.gz SWYZQHLCEHFFJT-CABZTGNLSA-N 1 2 249.314 1.044 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1O ZINC001203881333 966809028 /nfs/dbraw/zinc/80/90/28/966809028.db2.gz PCFSQLOMBNCUNY-GFCCVEGCSA-N 1 2 249.310 1.709 20 10 BDCDLO Oc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1O ZINC001203881333 966809031 /nfs/dbraw/zinc/80/90/31/966809031.db2.gz PCFSQLOMBNCUNY-GFCCVEGCSA-N 1 2 249.310 1.709 20 10 BDCDLO CC1(O)C[NH+](Cc2c(O)cccc2F)C1 ZINC001137831864 967823136 /nfs/dbraw/zinc/82/31/36/967823136.db2.gz QKVLAYYUZVUBPC-UHFFFAOYSA-N 1 2 211.236 1.098 20 10 BDCDLO COC[C@H]1CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015859 978415038 /nfs/dbraw/zinc/41/50/38/978415038.db2.gz HHNFWAOCFAODKQ-SECBINFHSA-N 1 2 239.271 1.024 20 10 BDCDLO COC[C@H]1CC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015859 978415042 /nfs/dbraw/zinc/41/50/42/978415042.db2.gz HHNFWAOCFAODKQ-SECBINFHSA-N 1 2 239.271 1.024 20 10 BDCDLO Oc1c(C[N@H+]2CC[C@@H](O)C2)ccc(F)c1F ZINC001233074665 978458927 /nfs/dbraw/zinc/45/89/27/978458927.db2.gz RQPFTBOQDFEZIT-MRVPVSSYSA-N 1 2 229.226 1.237 20 10 BDCDLO Oc1c(C[N@@H+]2CC[C@@H](O)C2)ccc(F)c1F ZINC001233074665 978458929 /nfs/dbraw/zinc/45/89/29/978458929.db2.gz RQPFTBOQDFEZIT-MRVPVSSYSA-N 1 2 229.226 1.237 20 10 BDCDLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001236783173 979729014 /nfs/dbraw/zinc/72/90/14/979729014.db2.gz IQXQQMGEYYCACS-UHFFFAOYSA-N 1 2 248.326 1.229 20 10 BDCDLO CCc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC001236783173 979729023 /nfs/dbraw/zinc/72/90/23/979729023.db2.gz IQXQQMGEYYCACS-UHFFFAOYSA-N 1 2 248.326 1.229 20 10 BDCDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)C2)c(O)c1 ZINC001237045933 979805984 /nfs/dbraw/zinc/80/59/84/979805984.db2.gz NBQSMHFYIKAWCR-UHFFFAOYSA-N 1 2 248.326 1.447 20 10 BDCDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)C2)c(O)c1 ZINC001237045933 979805989 /nfs/dbraw/zinc/80/59/89/979805989.db2.gz NBQSMHFYIKAWCR-UHFFFAOYSA-N 1 2 248.326 1.447 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC001203980744 983530846 /nfs/dbraw/zinc/53/08/46/983530846.db2.gz RILZIMTZEWNXII-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC001203980744 983530860 /nfs/dbraw/zinc/53/08/60/983530860.db2.gz RILZIMTZEWNXII-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Cc1nonc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001248859913 989205231 /nfs/dbraw/zinc/20/52/31/989205231.db2.gz ZZTKDQBZJWDOHU-UHFFFAOYSA-N 1 2 245.282 1.642 20 10 BDCDLO Cc1nonc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001248859913 989205241 /nfs/dbraw/zinc/20/52/41/989205241.db2.gz ZZTKDQBZJWDOHU-UHFFFAOYSA-N 1 2 245.282 1.642 20 10 BDCDLO Cc1cccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493796505 398320414 /nfs/dbraw/zinc/32/04/14/398320414.db2.gz TZUZLQRBRSEYME-SREVYHEPSA-N 1 2 242.282 1.789 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(F)c1O ZINC000372647774 188074916 /nfs/dbraw/zinc/07/49/16/188074916.db2.gz JDUAKHBWANJICM-ZJUUUORDSA-N 1 2 243.253 1.436 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(F)c1O ZINC000372647774 188074917 /nfs/dbraw/zinc/07/49/17/188074917.db2.gz JDUAKHBWANJICM-ZJUUUORDSA-N 1 2 243.253 1.436 20 10 BDCDLO CC(=O)NC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000291393627 188211545 /nfs/dbraw/zinc/21/15/45/188211545.db2.gz CWSWDULFTDTXHC-UHFFFAOYSA-N 1 2 247.342 1.073 20 10 BDCDLO CN(C)c1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183895732 385800785 /nfs/dbraw/zinc/80/07/85/385800785.db2.gz AOWRBBQMOMELMC-UHFFFAOYSA-N 1 2 244.285 1.470 20 10 BDCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(N)cc1 ZINC000035361335 170217267 /nfs/dbraw/zinc/21/72/67/170217267.db2.gz HTKHCRXXNBDQJV-UHFFFAOYSA-N 1 2 236.315 1.654 20 10 BDCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N)cc1 ZINC000035361335 170217268 /nfs/dbraw/zinc/21/72/68/170217268.db2.gz HTKHCRXXNBDQJV-UHFFFAOYSA-N 1 2 236.315 1.654 20 10 BDCDLO COc1cccc(C[NH2+]Cc2cn[nH]c2C)c1O ZINC000038011164 175265321 /nfs/dbraw/zinc/26/53/21/175265321.db2.gz PGDJJCCHTIOMDY-UHFFFAOYSA-N 1 2 247.298 1.722 20 10 BDCDLO C[C@H]([NH2+]CCN(C)C)c1ccc(F)c(F)c1O ZINC000287188813 176848342 /nfs/dbraw/zinc/84/83/42/176848342.db2.gz VQBCDIRQMMUXJV-QMMMGPOBSA-N 1 2 244.285 1.883 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1COCO1 ZINC000894875527 583541493 /nfs/dbraw/zinc/54/14/93/583541493.db2.gz FRKOQJRGKPTFFA-SECBINFHSA-N 1 2 243.690 1.508 20 10 BDCDLO C[C@H]([NH2+][C@H]1CCOC1=O)c1ccccc1O ZINC000019876317 583633388 /nfs/dbraw/zinc/63/33/88/583633388.db2.gz UVVJSESFQIDRSH-WPRPVWTQSA-N 1 2 221.256 1.358 20 10 BDCDLO CCc1cccc(C[NH2+][C@H]2CCOC2=O)c1O ZINC000895809013 583729947 /nfs/dbraw/zinc/72/99/47/583729947.db2.gz QFZSYPCOYKOJCZ-NSHDSACASA-N 1 2 235.283 1.360 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000897681471 584039526 /nfs/dbraw/zinc/03/95/26/584039526.db2.gz VRPWTDDILCOTIQ-KWQFWETISA-N 1 2 241.718 1.858 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000897681471 584039527 /nfs/dbraw/zinc/03/95/27/584039527.db2.gz VRPWTDDILCOTIQ-KWQFWETISA-N 1 2 241.718 1.858 20 10 BDCDLO COC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000839128487 585093519 /nfs/dbraw/zinc/09/35/19/585093519.db2.gz QEDNKLSRNLMHEG-UHFFFAOYSA-N 1 2 238.306 1.722 20 10 BDCDLO Cc1nonc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000809744340 586516827 /nfs/dbraw/zinc/51/68/27/586516827.db2.gz GZVYXBCWSLNVEX-UHFFFAOYSA-N 1 2 245.282 1.603 20 10 BDCDLO Oc1c(F)cccc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841078577 587944601 /nfs/dbraw/zinc/94/46/01/587944601.db2.gz JEBGNQLJTYYGRG-UWVGGRQHSA-N 1 2 242.269 1.321 20 10 BDCDLO C[N@H+](Cc1cnsn1)Cc1ccccc1O ZINC000846823810 588291073 /nfs/dbraw/zinc/29/10/73/588291073.db2.gz ADKCTAWEYZUFIQ-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO C[N@@H+](Cc1cnsn1)Cc1ccccc1O ZINC000846823810 588291074 /nfs/dbraw/zinc/29/10/74/588291074.db2.gz ADKCTAWEYZUFIQ-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO C[C@H](O)C1([NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000864053420 589335978 /nfs/dbraw/zinc/33/59/78/589335978.db2.gz WTDULXJMTIJGQU-ZETCQYMHSA-N 1 2 243.253 1.673 20 10 BDCDLO CC(C)[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876538380 590211895 /nfs/dbraw/zinc/21/18/95/590211895.db2.gz HUYGQGXPPYBCAP-UHFFFAOYSA-N 1 2 245.269 1.873 20 10 BDCDLO CC(C)[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876538380 590211897 /nfs/dbraw/zinc/21/18/97/590211897.db2.gz HUYGQGXPPYBCAP-UHFFFAOYSA-N 1 2 245.269 1.873 20 10 BDCDLO COC(=O)C[N@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000876801111 590243517 /nfs/dbraw/zinc/24/35/17/590243517.db2.gz VCMDKBWFZSDVPR-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)C[N@@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000876801111 590243518 /nfs/dbraw/zinc/24/35/18/590243518.db2.gz VCMDKBWFZSDVPR-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)n(C)n1 ZINC000877702522 590396264 /nfs/dbraw/zinc/39/62/64/590396264.db2.gz ACFJZONWMFRWGT-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)n(C)n1 ZINC000877702522 590396267 /nfs/dbraw/zinc/39/62/67/590396267.db2.gz ACFJZONWMFRWGT-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC ZINC000302094966 592544721 /nfs/dbraw/zinc/54/47/21/592544721.db2.gz GRYCWRHWXXADKV-GFCCVEGCSA-N 1 2 249.310 1.663 20 10 BDCDLO COCC[NH2+]Cc1cccc(Cl)c1O ZINC000157754964 632543893 /nfs/dbraw/zinc/54/38/93/632543893.db2.gz KLWJOGPQQYHVLA-UHFFFAOYSA-N 1 2 215.680 1.782 20 10 BDCDLO OCC1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000162983667 635290166 /nfs/dbraw/zinc/29/01/66/635290166.db2.gz NRJXYDDCVNYBDS-UHFFFAOYSA-N 1 2 227.691 1.660 20 10 BDCDLO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000223660544 635374364 /nfs/dbraw/zinc/37/43/64/635374364.db2.gz YKGANLGKKPKGFT-MRVPVSSYSA-N 1 2 233.271 1.934 20 10 BDCDLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1O ZINC000041014121 636950966 /nfs/dbraw/zinc/95/09/66/636950966.db2.gz XPRVGRJUPIZNFH-VIFPVBQESA-N 1 2 217.272 1.966 20 10 BDCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCOCC1 ZINC000708413766 712193530 /nfs/dbraw/zinc/19/35/30/712193530.db2.gz NTNORTGCCRABGP-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCOCC1 ZINC000708413766 712193533 /nfs/dbraw/zinc/19/35/33/712193533.db2.gz NTNORTGCCRABGP-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000398085990 711401169 /nfs/dbraw/zinc/40/11/69/711401169.db2.gz PWCOULVFQNYCQJ-VIFPVBQESA-N 1 2 247.302 1.075 20 10 BDCDLO OC/C=C/C[NH2+]Cc1cccc(Cl)c1O ZINC000717534702 712660439 /nfs/dbraw/zinc/66/04/39/712660439.db2.gz SAJPKSZYWCQOBL-OWOJBTEDSA-N 1 2 227.691 1.684 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1cnc[nH]1)CC2 ZINC001136871806 972288053 /nfs/dbraw/zinc/28/80/53/972288053.db2.gz KFTLYMULRUBZPS-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1cnc[nH]1)CC2 ZINC001136871806 972288055 /nfs/dbraw/zinc/28/80/55/972288055.db2.gz KFTLYMULRUBZPS-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC001140950798 960752595 /nfs/dbraw/zinc/75/25/95/960752595.db2.gz JGFOSDCMUDSTLF-GFCCVEGCSA-N 1 2 234.343 1.837 20 10 BDCDLO Cc1ccc(CN2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC001140950798 960752609 /nfs/dbraw/zinc/75/26/09/960752609.db2.gz JGFOSDCMUDSTLF-GFCCVEGCSA-N 1 2 234.343 1.837 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156334 960892283 /nfs/dbraw/zinc/89/22/83/960892283.db2.gz JUYAQSRUALTNAR-VIFPVBQESA-N 1 2 235.283 1.509 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156334 960892284 /nfs/dbraw/zinc/89/22/84/960892284.db2.gz JUYAQSRUALTNAR-VIFPVBQESA-N 1 2 235.283 1.509 20 10 BDCDLO O=C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156972 960897544 /nfs/dbraw/zinc/89/75/44/960897544.db2.gz ZRNUGLICLRVZSK-UHFFFAOYSA-N 1 2 221.256 1.263 20 10 BDCDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1O ZINC001151886067 962352057 /nfs/dbraw/zinc/35/20/57/962352057.db2.gz TYHKBXUYQQZSBZ-SECBINFHSA-N 1 2 245.282 1.535 20 10 BDCDLO CCN(Cc1ccccc1O)[C@@H]1CC[N@H+](C)C1 ZINC000710529723 962406287 /nfs/dbraw/zinc/40/62/87/962406287.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 1 2 234.343 1.918 20 10 BDCDLO CCN(Cc1ccccc1O)[C@@H]1CC[N@@H+](C)C1 ZINC000710529723 962406292 /nfs/dbraw/zinc/40/62/92/962406292.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 1 2 234.343 1.918 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001204277876 966956706 /nfs/dbraw/zinc/95/67/06/966956706.db2.gz NNUQGMCYGQKMBK-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO Oc1ccc(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001204277876 966956712 /nfs/dbraw/zinc/95/67/12/966956712.db2.gz NNUQGMCYGQKMBK-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO COC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238058424 980132321 /nfs/dbraw/zinc/13/23/21/980132321.db2.gz RVPHVBZXYREKNO-UHFFFAOYSA-N 1 2 225.263 1.670 20 10 BDCDLO Nc1ccc(N(CCO)c2ccc(N)[nH+]c2)cc1 ZINC001201284584 983155842 /nfs/dbraw/zinc/15/58/42/983155842.db2.gz SYLBPKSMFRZTMC-UHFFFAOYSA-N 1 2 244.298 1.376 20 10 BDCDLO Oc1cccc(F)c1C[NH+]1CCOCC1 ZINC001137832042 990858412 /nfs/dbraw/zinc/85/84/12/990858412.db2.gz YEUDVVMHYUAEMA-UHFFFAOYSA-N 1 2 211.236 1.364 20 10 BDCDLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1O ZINC001557969634 990917485 /nfs/dbraw/zinc/91/74/85/990917485.db2.gz YMTSGZSWHWRIPT-JTQLQIEISA-N 1 2 245.282 1.466 20 10 BDCDLO COc1ccc(C[NH2+]CC(F)(F)CO)cc1C ZINC000231777509 188187225 /nfs/dbraw/zinc/18/72/25/188187225.db2.gz OWGHELZHSITWPS-UHFFFAOYSA-N 1 2 245.269 1.721 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000193105937 385385332 /nfs/dbraw/zinc/38/53/32/385385332.db2.gz CXVCPTCCMMMBHI-SNVBAGLBSA-N 1 2 237.299 1.660 20 10 BDCDLO CN(C)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000193412716 385396561 /nfs/dbraw/zinc/39/65/61/385396561.db2.gz IAGPJOCZGMRNNT-UHFFFAOYSA-N 1 2 201.273 1.997 20 10 BDCDLO C[C@H](O)CC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894033276 583277548 /nfs/dbraw/zinc/27/75/48/583277548.db2.gz FVYAGUFHOPCPAA-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@H](O)CC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894033276 583277550 /nfs/dbraw/zinc/27/75/50/583277550.db2.gz FVYAGUFHOPCPAA-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893947415 583258936 /nfs/dbraw/zinc/25/89/36/583258936.db2.gz IPTMTANMJBEMTF-UHFFFAOYSA-N 1 2 245.225 1.275 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893947415 583258937 /nfs/dbraw/zinc/25/89/37/583258937.db2.gz IPTMTANMJBEMTF-UHFFFAOYSA-N 1 2 245.225 1.275 20 10 BDCDLO Cc1ccc(C[NH2+][C@H]2CCOC2=O)c(O)c1 ZINC000895807823 583732806 /nfs/dbraw/zinc/73/28/06/583732806.db2.gz CXEXIWJGPJJFCV-JTQLQIEISA-N 1 2 221.256 1.106 20 10 BDCDLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000895969045 583755414 /nfs/dbraw/zinc/75/54/14/583755414.db2.gz VUBNUMIJOISOKD-LBPRGKRZSA-N 1 2 241.262 1.336 20 10 BDCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000895969045 583755415 /nfs/dbraw/zinc/75/54/15/583755415.db2.gz VUBNUMIJOISOKD-LBPRGKRZSA-N 1 2 241.262 1.336 20 10 BDCDLO Cc1cc(NC(=O)C2=CC(=O)CS2)cc[nH+]1 ZINC000732261278 584935024 /nfs/dbraw/zinc/93/50/24/584935024.db2.gz GHIBSIDJHXEHCA-UHFFFAOYSA-N 1 2 234.280 1.831 20 10 BDCDLO COC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839131619 585093539 /nfs/dbraw/zinc/09/35/39/585093539.db2.gz XGIKVHIJXDRSIL-UHFFFAOYSA-N 1 2 211.236 1.362 20 10 BDCDLO O=C(NCc1[nH]cc[nH+]1)C1=CC(=O)CS1 ZINC000748315407 585190627 /nfs/dbraw/zinc/19/06/27/585190627.db2.gz VBJHWDDGIAWBNA-UHFFFAOYSA-N 1 2 223.257 1.107 20 10 BDCDLO Oc1ccccc1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787437721 585909510 /nfs/dbraw/zinc/90/95/10/585909510.db2.gz BDKASXQGGVPVAM-SNVBAGLBSA-N 1 2 243.253 1.594 20 10 BDCDLO Oc1ccccc1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787437721 585909511 /nfs/dbraw/zinc/90/95/11/585909511.db2.gz BDKASXQGGVPVAM-SNVBAGLBSA-N 1 2 243.253 1.594 20 10 BDCDLO C[N@H+](CCCO)Cc1cc(Cl)cc(F)c1O ZINC000799739646 586195799 /nfs/dbraw/zinc/19/57/99/586195799.db2.gz NZBNBLDKMJOQHW-UHFFFAOYSA-N 1 2 247.697 1.999 20 10 BDCDLO C[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1O ZINC000799739646 586195800 /nfs/dbraw/zinc/19/58/00/586195800.db2.gz NZBNBLDKMJOQHW-UHFFFAOYSA-N 1 2 247.697 1.999 20 10 BDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000818236917 586881645 /nfs/dbraw/zinc/88/16/45/586881645.db2.gz VEWMGFQALLVAEL-SECBINFHSA-N 1 2 238.243 1.179 20 10 BDCDLO Cc1cc(O)c(C[N@H+](C)CC(N)=O)c(Cl)c1 ZINC000840909935 587929854 /nfs/dbraw/zinc/92/98/54/587929854.db2.gz IUMIRFOYTIVVRF-UHFFFAOYSA-N 1 2 242.706 1.271 20 10 BDCDLO Cc1cc(O)c(C[N@@H+](C)CC(N)=O)c(Cl)c1 ZINC000840909935 587929856 /nfs/dbraw/zinc/92/98/56/587929856.db2.gz IUMIRFOYTIVVRF-UHFFFAOYSA-N 1 2 242.706 1.271 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840955750 587931962 /nfs/dbraw/zinc/93/19/62/587931962.db2.gz YOVQOIQLSBYYLX-LLVKDONJSA-N 1 2 243.253 1.702 20 10 BDCDLO C[C@H]([NH2+]C/C=C/CO)c1cc(F)cc(F)c1O ZINC000850510711 588555468 /nfs/dbraw/zinc/55/54/68/588555468.db2.gz ZSDCAGVEYXHOSJ-SGJFDWMWSA-N 1 2 243.253 1.870 20 10 BDCDLO C[C@@H]([NH2+]Cc1cnon1)c1ccc(N(C)C)cc1 ZINC000851951560 588647631 /nfs/dbraw/zinc/64/76/31/588647631.db2.gz YTSBUROIKARQMO-SNVBAGLBSA-N 1 2 246.314 1.986 20 10 BDCDLO OC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877045194 590274094 /nfs/dbraw/zinc/27/40/94/590274094.db2.gz RQYRTDCYVNXBQZ-JTQLQIEISA-N 1 2 243.253 1.531 20 10 BDCDLO C[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134899842 591957951 /nfs/dbraw/zinc/95/79/51/591957951.db2.gz OCEFYCUWARQNOH-BQBZGAKWSA-N 1 2 231.242 1.702 20 10 BDCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000309528732 632467531 /nfs/dbraw/zinc/46/75/31/632467531.db2.gz CTCSXASJUHAYCC-LLVKDONJSA-N 1 2 241.718 1.906 20 10 BDCDLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1O ZINC000398086531 711400951 /nfs/dbraw/zinc/40/09/51/711400951.db2.gz QBAJLFACMNUVRV-SNVBAGLBSA-N 1 2 247.302 1.157 20 10 BDCDLO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C ZINC000708481104 711958471 /nfs/dbraw/zinc/95/84/71/711958471.db2.gz OGZGCFVJOUUTII-MRVPVSSYSA-N 1 2 244.285 1.710 20 10 BDCDLO C[C@H](CCCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708485641 712211171 /nfs/dbraw/zinc/21/11/71/712211171.db2.gz MHKRWOVZCVSBPI-MRVPVSSYSA-N 1 2 245.269 1.921 20 10 BDCDLO CCN(CC[NH+](C)C)Cc1cccc(F)c1O ZINC000708354546 959361808 /nfs/dbraw/zinc/36/18/08/959361808.db2.gz NKCXFQBMWZMACB-UHFFFAOYSA-N 1 2 240.322 1.915 20 10 BDCDLO Oc1ccc(O)c(CN2CCn3c[nH+]cc3C2)c1 ZINC001141159978 960895227 /nfs/dbraw/zinc/89/52/27/960895227.db2.gz NXGDDKISGYKHLG-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO COc1cccc(C[NH+]2CCC(=O)CC2)c1O ZINC001203584851 966696790 /nfs/dbraw/zinc/69/67/90/966696790.db2.gz HYEDXXVTUBYZIU-UHFFFAOYSA-N 1 2 235.283 1.566 20 10 BDCDLO OC[C@]1(F)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875493 966806071 /nfs/dbraw/zinc/80/60/71/966806071.db2.gz NNDBNIVLDKUOAN-LBPRGKRZSA-N 1 2 241.262 1.004 20 10 BDCDLO OC[C@]1(F)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875493 966806074 /nfs/dbraw/zinc/80/60/74/966806074.db2.gz NNDBNIVLDKUOAN-LBPRGKRZSA-N 1 2 241.262 1.004 20 10 BDCDLO CC(=O)C[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874956 966806823 /nfs/dbraw/zinc/80/68/23/966806823.db2.gz FRXHSHDEANFCEX-UHFFFAOYSA-N 1 2 209.245 1.119 20 10 BDCDLO CC(=O)C[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874956 966806826 /nfs/dbraw/zinc/80/68/26/966806826.db2.gz FRXHSHDEANFCEX-UHFFFAOYSA-N 1 2 209.245 1.119 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1O ZINC001203881847 966807932 /nfs/dbraw/zinc/80/79/32/966807932.db2.gz UPUSRBRHIROTHC-UHFFFAOYSA-N 1 2 235.283 1.463 20 10 BDCDLO Oc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1O ZINC001203881847 966807936 /nfs/dbraw/zinc/80/79/36/966807936.db2.gz UPUSRBRHIROTHC-UHFFFAOYSA-N 1 2 235.283 1.463 20 10 BDCDLO Oc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001204276004 966951546 /nfs/dbraw/zinc/95/15/46/966951546.db2.gz DKGDJEATMGULDR-UWVGGRQHSA-N 1 2 243.253 1.980 20 10 BDCDLO Oc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001204276004 966951551 /nfs/dbraw/zinc/95/15/51/966951551.db2.gz DKGDJEATMGULDR-UWVGGRQHSA-N 1 2 243.253 1.980 20 10 BDCDLO C[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137832058 967825505 /nfs/dbraw/zinc/82/55/05/967825505.db2.gz ZBIVWVLWEIUZQG-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137832058 967825506 /nfs/dbraw/zinc/82/55/06/967825506.db2.gz ZBIVWVLWEIUZQG-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1cc(O)c(C[NH+]2C[C@@H](F)[C@H](F)C2)c(O)c1 ZINC001144499827 972846951 /nfs/dbraw/zinc/84/69/51/972846951.db2.gz KIOGFHUHYKOTLL-RKDXNWHRSA-N 1 2 245.225 1.295 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874750 982547926 /nfs/dbraw/zinc/54/79/26/982547926.db2.gz CGKMNYLTVIHWME-UWVGGRQHSA-N 1 2 241.262 1.003 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874750 982547934 /nfs/dbraw/zinc/54/79/34/982547934.db2.gz CGKMNYLTVIHWME-UWVGGRQHSA-N 1 2 241.262 1.003 20 10 BDCDLO Nc1ccc(Nc2cccc(O)c2O)c[nH+]1 ZINC001201286809 983163023 /nfs/dbraw/zinc/16/30/23/983163023.db2.gz BEJIFIQWHYMVAC-UHFFFAOYSA-N 1 2 217.228 1.819 20 10 BDCDLO CO[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138122575 990884233 /nfs/dbraw/zinc/88/42/33/990884233.db2.gz NSWITLIJWHOWDO-QWRGUYRKSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138122575 990884235 /nfs/dbraw/zinc/88/42/35/990884235.db2.gz NSWITLIJWHOWDO-QWRGUYRKSA-N 1 2 243.253 1.700 20 10 BDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC000035361331 991124645 /nfs/dbraw/zinc/12/46/45/991124645.db2.gz MXXPJDNYXDZHOI-UHFFFAOYSA-N 1 2 222.288 1.264 20 10 BDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC000035361331 991124653 /nfs/dbraw/zinc/12/46/53/991124653.db2.gz MXXPJDNYXDZHOI-UHFFFAOYSA-N 1 2 222.288 1.264 20 10 BDCDLO CN(CC[NH+](C)C)Cc1c(F)ccc(F)c1O ZINC001139683797 991312774 /nfs/dbraw/zinc/31/27/74/991312774.db2.gz DYRGJKYGONTMHK-UHFFFAOYSA-N 1 2 244.285 1.664 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(F)c1O ZINC000372647772 183129385 /nfs/dbraw/zinc/12/93/85/183129385.db2.gz JDUAKHBWANJICM-UWVGGRQHSA-N 1 2 243.253 1.436 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(F)c1O ZINC000372647772 183129388 /nfs/dbraw/zinc/12/93/88/183129388.db2.gz JDUAKHBWANJICM-UWVGGRQHSA-N 1 2 243.253 1.436 20 10 BDCDLO OC[C@H]1CC(F)(F)C[N@@H+]1Cc1ccccc1O ZINC000364838859 183147519 /nfs/dbraw/zinc/14/75/19/183147519.db2.gz AHIXAIXJFKJYMW-SNVBAGLBSA-N 1 2 243.253 1.594 20 10 BDCDLO OC[C@H]1CC(F)(F)C[N@H+]1Cc1ccccc1O ZINC000364838859 183147521 /nfs/dbraw/zinc/14/75/21/183147521.db2.gz AHIXAIXJFKJYMW-SNVBAGLBSA-N 1 2 243.253 1.594 20 10 BDCDLO Oc1c(F)cccc1C[NH2+]CC(F)F ZINC000159154222 183254907 /nfs/dbraw/zinc/25/49/07/183254907.db2.gz ZRIRLMKSFZKDTF-UHFFFAOYSA-N 1 2 205.179 1.886 20 10 BDCDLO CO[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000191139759 385286341 /nfs/dbraw/zinc/28/63/41/385286341.db2.gz CJAWQSUOMCJTND-MRVPVSSYSA-N 1 2 240.259 1.425 20 10 BDCDLO CO[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000191139745 385286655 /nfs/dbraw/zinc/28/66/55/385286655.db2.gz CJAWQSUOMCJTND-QMMMGPOBSA-N 1 2 240.259 1.425 20 10 BDCDLO C[C@@]1([NH2+]Cc2ccccc2O)CCOC1=O ZINC000289746923 385357402 /nfs/dbraw/zinc/35/74/02/385357402.db2.gz HYWXJBLVMBEBBS-GFCCVEGCSA-N 1 2 221.256 1.187 20 10 BDCDLO C[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000289425803 386301041 /nfs/dbraw/zinc/30/10/41/386301041.db2.gz JWWOGVSQNYIASP-MRVPVSSYSA-N 1 2 229.707 1.858 20 10 BDCDLO C[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000289425803 386301047 /nfs/dbraw/zinc/30/10/47/386301047.db2.gz JWWOGVSQNYIASP-MRVPVSSYSA-N 1 2 229.707 1.858 20 10 BDCDLO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2=O)c1 ZINC000289840670 386361552 /nfs/dbraw/zinc/36/15/52/386361552.db2.gz OXQACPOZKJRCRW-ZDUSSCGKSA-N 1 2 235.283 1.496 20 10 BDCDLO C[C@]1([NH2+]Cc2cccc(F)c2O)CCOC1=O ZINC000290936469 386489115 /nfs/dbraw/zinc/48/91/15/386489115.db2.gz PJLPAFADVRAFRK-LBPRGKRZSA-N 1 2 239.246 1.327 20 10 BDCDLO CN(C)c1ccc(C[NH2+][C@@]2(C)CCOC2=O)cc1 ZINC000289474289 172554675 /nfs/dbraw/zinc/55/46/75/172554675.db2.gz HPYADGZSKCWPOS-AWEZNQCLSA-N 1 2 248.326 1.548 20 10 BDCDLO CN(C)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127304010 173086905 /nfs/dbraw/zinc/08/69/05/173086905.db2.gz LQOYDHYMGSJZAI-UHFFFAOYSA-N 1 2 247.342 1.027 20 10 BDCDLO CN(C)c1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127304010 173086906 /nfs/dbraw/zinc/08/69/06/173086906.db2.gz LQOYDHYMGSJZAI-UHFFFAOYSA-N 1 2 247.342 1.027 20 10 BDCDLO COc1ccc(C[NH2+]Cc2ncn(C)n2)cc1C ZINC000218961021 175108768 /nfs/dbraw/zinc/10/87/68/175108768.db2.gz STASMNYJMFZVNU-UHFFFAOYSA-N 1 2 246.314 1.422 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccncc21 ZINC000492902310 226079770 /nfs/dbraw/zinc/07/97/70/226079770.db2.gz QUEZAOBLVWQFAN-UPHRSURJSA-N 1 2 240.266 1.407 20 10 BDCDLO Cc1ccncc1N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815489 534423824 /nfs/dbraw/zinc/42/38/24/534423824.db2.gz XGDHLCVNVPGWEK-ARJAWSKDSA-N 1 2 242.282 1.789 20 10 BDCDLO Cc1ccncc1N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815490 534422608 /nfs/dbraw/zinc/42/26/08/534422608.db2.gz XGDHLCVNVPGWEK-ONEGZZNKSA-N 1 2 242.282 1.789 20 10 BDCDLO CC1(CO)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894979855 583563308 /nfs/dbraw/zinc/56/33/08/583563308.db2.gz COSAODZDTSBCAB-UHFFFAOYSA-N 1 2 243.253 1.485 20 10 BDCDLO C[C@@H](CCO)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000895149180 583605537 /nfs/dbraw/zinc/60/55/37/583605537.db2.gz CTCLTFOBHHPOCP-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@@H](CCO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000895149180 583605538 /nfs/dbraw/zinc/60/55/38/583605538.db2.gz CTCLTFOBHHPOCP-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO Oc1c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc(F)c1F ZINC000895645661 583700671 /nfs/dbraw/zinc/70/06/71/583700671.db2.gz RZBGOFYUHCLHNF-PRHODGIISA-N 1 2 241.237 1.237 20 10 BDCDLO Oc1c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)ccc(F)c1F ZINC000895645661 583700672 /nfs/dbraw/zinc/70/06/72/583700672.db2.gz RZBGOFYUHCLHNF-PRHODGIISA-N 1 2 241.237 1.237 20 10 BDCDLO Cc1cc(O)c(C[NH2+][C@H]2CCOC2=O)cc1C ZINC000895801842 583731113 /nfs/dbraw/zinc/73/11/13/583731113.db2.gz UCQJLNDXROQORG-NSHDSACASA-N 1 2 235.283 1.414 20 10 BDCDLO COc1cccc(O)c1C[NH2+]Cc1cocn1 ZINC000730819059 584916894 /nfs/dbraw/zinc/91/68/94/584916894.db2.gz JNXGPPXMZTVKRU-UHFFFAOYSA-N 1 2 234.255 1.679 20 10 BDCDLO CN(Cc1ccccc1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816889313 586769472 /nfs/dbraw/zinc/76/94/72/586769472.db2.gz TZQGZOGCGFSXLL-UHFFFAOYSA-N 1 2 245.282 1.316 20 10 BDCDLO Oc1ccccc1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000826957914 587366758 /nfs/dbraw/zinc/36/67/58/587366758.db2.gz KTZYMZRDSXKPGO-LLVKDONJSA-N 1 2 243.253 1.594 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000826957914 587366759 /nfs/dbraw/zinc/36/67/59/587366759.db2.gz KTZYMZRDSXKPGO-LLVKDONJSA-N 1 2 243.253 1.594 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000827305149 587376464 /nfs/dbraw/zinc/37/64/64/587376464.db2.gz NZLTWMPUPBWZIV-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1ccc(O)c(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000827305149 587376465 /nfs/dbraw/zinc/37/64/65/587376465.db2.gz NZLTWMPUPBWZIV-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO C[C@H]([NH2+]Cc1cnon1)c1ccc(N(C)C)cc1 ZINC000851951559 588647273 /nfs/dbraw/zinc/64/72/73/588647273.db2.gz YTSBUROIKARQMO-JTQLQIEISA-N 1 2 246.314 1.986 20 10 BDCDLO C[C@@H](O)CC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876745496 590236143 /nfs/dbraw/zinc/23/61/43/590236143.db2.gz JKEIPVKFIPZQSF-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@@H](O)CC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876745496 590236145 /nfs/dbraw/zinc/23/61/45/590236145.db2.gz JKEIPVKFIPZQSF-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO Cc1ccc(C[N@H+](CCO)CC(F)F)c(O)c1 ZINC000877490667 590339812 /nfs/dbraw/zinc/33/98/12/590339812.db2.gz CMJLALCATNZYCY-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO Cc1ccc(C[N@@H+](CCO)CC(F)F)c(O)c1 ZINC000877490667 590339815 /nfs/dbraw/zinc/33/98/15/590339815.db2.gz CMJLALCATNZYCY-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO C[C@H](CCO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877614964 590375118 /nfs/dbraw/zinc/37/51/18/590375118.db2.gz KURHVEYOEZASST-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@H](CCO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877614964 590375121 /nfs/dbraw/zinc/37/51/21/590375121.db2.gz KURHVEYOEZASST-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000883139689 591550410 /nfs/dbraw/zinc/55/04/10/591550410.db2.gz WJPLZQDAZIGSER-DTORHVGOSA-N 1 2 229.226 1.283 20 10 BDCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000883182213 591564141 /nfs/dbraw/zinc/56/41/41/591564141.db2.gz WJPLZQDAZIGSER-KYZUINATSA-N 1 2 229.226 1.283 20 10 BDCDLO CC(C)(CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484338 712185881 /nfs/dbraw/zinc/18/58/81/712185881.db2.gz GSOYJJBIFFRQEA-UHFFFAOYSA-N 1 2 245.269 1.921 20 10 BDCDLO C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877320226 712630672 /nfs/dbraw/zinc/63/06/72/712630672.db2.gz CHABGQLNJSPMJX-SSDOTTSWSA-N 1 2 231.242 1.483 20 10 BDCDLO C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877320226 712630673 /nfs/dbraw/zinc/63/06/73/712630673.db2.gz CHABGQLNJSPMJX-SSDOTTSWSA-N 1 2 231.242 1.483 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907064 712876775 /nfs/dbraw/zinc/87/67/75/712876775.db2.gz IRDBTOMZYFPJIR-CZMCAQCFSA-N 1 2 241.718 1.906 20 10 BDCDLO C[N@H+](Cc1c(O)ccc(F)c1F)[C@H]1CCOC1 ZINC001233334783 978569443 /nfs/dbraw/zinc/56/94/43/978569443.db2.gz SXCRNYFZNMGJNV-QMMMGPOBSA-N 1 2 243.253 1.891 20 10 BDCDLO C[N@@H+](Cc1c(O)ccc(F)c1F)[C@H]1CCOC1 ZINC001233334783 978569447 /nfs/dbraw/zinc/56/94/47/978569447.db2.gz SXCRNYFZNMGJNV-QMMMGPOBSA-N 1 2 243.253 1.891 20 10 BDCDLO CCNC(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC000160217010 982527231 /nfs/dbraw/zinc/52/72/31/982527231.db2.gz ZYCNHABINYYQLP-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO CCNC(=O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000160217010 982527241 /nfs/dbraw/zinc/52/72/41/982527241.db2.gz ZYCNHABINYYQLP-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140582993 959002356 /nfs/dbraw/zinc/00/23/56/959002356.db2.gz SJDDHZCUKIPJNP-MADCSZMMSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@H]1O ZINC001140582993 959002380 /nfs/dbraw/zinc/00/23/80/959002380.db2.gz SJDDHZCUKIPJNP-MADCSZMMSA-N 1 2 243.253 1.483 20 10 BDCDLO Cc1ccc(C[N@@H+]2CCn3nccc3C2)c(O)c1 ZINC001140953614 960758706 /nfs/dbraw/zinc/75/87/06/960758706.db2.gz DRUADISFHFVEJV-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(C[N@H+]2CCn3nccc3C2)c(O)c1 ZINC001140953614 960758722 /nfs/dbraw/zinc/75/87/22/960758722.db2.gz DRUADISFHFVEJV-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO [NH3+]C[C@H]1CCCN1Cc1ccc(F)c(F)c1O ZINC001236250630 966321714 /nfs/dbraw/zinc/32/17/14/966321714.db2.gz ITNLJMOUQJZECU-SECBINFHSA-N 1 2 242.269 1.594 20 10 BDCDLO CCOc1cccc(C[NH+]2CC3(CCO3)C2)c1O ZINC001203613717 966707098 /nfs/dbraw/zinc/70/70/98/966707098.db2.gz GABKULXUOFJTMJ-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001204277257 966956999 /nfs/dbraw/zinc/95/69/99/966956999.db2.gz ALYXSTQCPMFVSO-PWSUYJOCSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001204277257 966957011 /nfs/dbraw/zinc/95/70/11/966957011.db2.gz ALYXSTQCPMFVSO-PWSUYJOCSA-N 1 2 221.256 1.071 20 10 BDCDLO [NH3+]C[C@H]1CCCN1Cc1c(F)ccc(F)c1O ZINC001236246381 979467984 /nfs/dbraw/zinc/46/79/84/979467984.db2.gz YNUMPYCXIXLUTF-MRVPVSSYSA-N 1 2 242.269 1.594 20 10 BDCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001237809074 980061054 /nfs/dbraw/zinc/06/10/54/980061054.db2.gz ZACOTSBGMRNIIK-SECBINFHSA-N 1 2 245.681 1.751 20 10 BDCDLO Cc1cc(F)cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001238070816 980138403 /nfs/dbraw/zinc/13/84/03/980138403.db2.gz PMNKJYBRJDSTKN-TXEJJXNPSA-N 1 2 237.274 1.813 20 10 BDCDLO Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001238070816 980138406 /nfs/dbraw/zinc/13/84/06/980138406.db2.gz PMNKJYBRJDSTKN-TXEJJXNPSA-N 1 2 237.274 1.813 20 10 BDCDLO COC(=O)C1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137832997 990858068 /nfs/dbraw/zinc/85/80/68/990858068.db2.gz OZMTWDOLIZWDBN-UHFFFAOYSA-N 1 2 239.246 1.136 20 10 BDCDLO Cc1ccc(O)c(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001301047421 995063178 /nfs/dbraw/zinc/06/31/78/995063178.db2.gz XGWMPWBTUCKNOW-UHFFFAOYSA-N 1 2 245.282 1.283 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000037074021 343332669 /nfs/dbraw/zinc/33/26/69/343332669.db2.gz HAAPXFRDLPBRIG-QMMMGPOBSA-N 1 2 239.271 1.052 20 10 BDCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC000132489545 188144954 /nfs/dbraw/zinc/14/49/54/188144954.db2.gz NRNVTRCCILYACX-SECBINFHSA-N 1 2 227.691 1.612 20 10 BDCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000132489545 188144956 /nfs/dbraw/zinc/14/49/56/188144956.db2.gz NRNVTRCCILYACX-SECBINFHSA-N 1 2 227.691 1.612 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CC(O)C2(CC2)C1 ZINC000368801167 183254803 /nfs/dbraw/zinc/25/48/03/183254803.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N 1 2 237.274 1.488 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CC(O)C2(CC2)C1 ZINC000368801167 183254804 /nfs/dbraw/zinc/25/48/04/183254804.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N 1 2 237.274 1.488 20 10 BDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccccc1O ZINC000184699837 384638437 /nfs/dbraw/zinc/63/84/37/384638437.db2.gz KDYHHEOWCGIOPK-QMMMGPOBSA-N 1 2 231.242 1.670 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165151963 385073251 /nfs/dbraw/zinc/07/32/51/385073251.db2.gz JNLKUJPIGYMGAY-ZETCQYMHSA-N 1 2 227.235 1.182 20 10 BDCDLO COC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000276451723 386323761 /nfs/dbraw/zinc/32/37/61/386323761.db2.gz JYMATRFIKQBKKL-ZDUSSCGKSA-N 1 2 249.310 1.742 20 10 BDCDLO COC(=O)[C@H]([NH2+]Cc1cccc(C)c1O)C1CC1 ZINC000276458863 386327569 /nfs/dbraw/zinc/32/75/69/386327569.db2.gz KYZKXIGVPCPNFL-GFCCVEGCSA-N 1 2 249.310 1.742 20 10 BDCDLO CC(=O)C(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289561559 386328640 /nfs/dbraw/zinc/32/86/40/386328640.db2.gz HCMJIKXHFLISRX-UHFFFAOYSA-N 1 2 230.267 1.811 20 10 BDCDLO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(F)c(F)c1O ZINC000187813592 386601086 /nfs/dbraw/zinc/60/10/86/386601086.db2.gz ONJAIXBLYYSIQM-NKWVEPMBSA-N 1 2 231.242 1.702 20 10 BDCDLO C[C@H](c1nncn1C)[N@H+](C)Cc1ccccc1O ZINC000287761032 177054111 /nfs/dbraw/zinc/05/41/11/177054111.db2.gz MGVBECVMTKBQBX-SNVBAGLBSA-N 1 2 246.314 1.714 20 10 BDCDLO C[C@H](c1nncn1C)[N@@H+](C)Cc1ccccc1O ZINC000287761032 177054113 /nfs/dbraw/zinc/05/41/13/177054113.db2.gz MGVBECVMTKBQBX-SNVBAGLBSA-N 1 2 246.314 1.714 20 10 BDCDLO C[N@@H+](CCCCO)Cc1cc(F)cc(F)c1O ZINC000894538193 583479330 /nfs/dbraw/zinc/47/93/30/583479330.db2.gz IYARBXBDYXRBNV-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO C[N@H+](CCCCO)Cc1cc(F)cc(F)c1O ZINC000894538193 583479327 /nfs/dbraw/zinc/47/93/27/583479327.db2.gz IYARBXBDYXRBNV-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1O)C1CC(O)C1 ZINC000761221947 585412320 /nfs/dbraw/zinc/41/23/20/585412320.db2.gz GXNPTYGRSZNPNJ-UHFFFAOYSA-N 1 2 225.263 1.486 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1O)C1CC(O)C1 ZINC000761221947 585412321 /nfs/dbraw/zinc/41/23/21/585412321.db2.gz GXNPTYGRSZNPNJ-UHFFFAOYSA-N 1 2 225.263 1.486 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3nncc3C2)c1 ZINC000848922865 588420923 /nfs/dbraw/zinc/42/09/23/588420923.db2.gz ZZXGMDNRPXGPJF-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1ccc(O)c(C[N@H+]2CCn3nncc3C2)c1 ZINC000848922865 588420925 /nfs/dbraw/zinc/42/09/25/588420925.db2.gz ZZXGMDNRPXGPJF-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO OC[C@H](CCF)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877613709 590373816 /nfs/dbraw/zinc/37/38/16/590373816.db2.gz AIKCPCOQGGONGZ-QMMMGPOBSA-N 1 2 249.232 1.481 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CCn2ccnc2C1 ZINC000134212226 591903722 /nfs/dbraw/zinc/90/37/22/591903722.db2.gz IOEJDCGDQKAGSZ-UHFFFAOYSA-N 1 2 229.283 1.605 20 10 BDCDLO Oc1ccccc1C[N@H+]1CCn2ccnc2C1 ZINC000134212226 591903723 /nfs/dbraw/zinc/90/37/23/591903723.db2.gz IOEJDCGDQKAGSZ-UHFFFAOYSA-N 1 2 229.283 1.605 20 10 BDCDLO Oc1ccccc1CN1CCn2cc[nH+]c2C1 ZINC000134212226 591903727 /nfs/dbraw/zinc/90/37/27/591903727.db2.gz IOEJDCGDQKAGSZ-UHFFFAOYSA-N 1 2 229.283 1.605 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)CO)c1cc(F)cc(F)c1O ZINC000134926206 591962385 /nfs/dbraw/zinc/96/23/85/591962385.db2.gz IXANYTFAWCRUIM-NKWVEPMBSA-N 1 2 231.242 1.702 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCC1 ZINC000309544439 633948954 /nfs/dbraw/zinc/94/89/54/633948954.db2.gz ZDDCASFARUDLED-UHFFFAOYSA-N 1 2 240.734 1.841 20 10 BDCDLO CCc1nnc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000159134630 641668756 /nfs/dbraw/zinc/66/87/56/641668756.db2.gz UWRJILXBJCAHOH-UHFFFAOYSA-N 1 2 246.314 1.705 20 10 BDCDLO CCc1nnc(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000159134630 641668760 /nfs/dbraw/zinc/66/87/60/641668760.db2.gz UWRJILXBJCAHOH-UHFFFAOYSA-N 1 2 246.314 1.705 20 10 BDCDLO Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1 ZINC000877459430 645797396 /nfs/dbraw/zinc/79/73/96/645797396.db2.gz JKHOOOUUYMSGSI-JTQLQIEISA-N 1 2 246.314 1.680 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825257072 712592134 /nfs/dbraw/zinc/59/21/34/712592134.db2.gz TVHSQSPMIVDEGL-DTORHVGOSA-N 1 2 245.681 1.798 20 10 BDCDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000398085989 711400653 /nfs/dbraw/zinc/40/06/53/711400653.db2.gz PWCOULVFQNYCQJ-SECBINFHSA-N 1 2 247.302 1.075 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720962181 712883771 /nfs/dbraw/zinc/88/37/71/712883771.db2.gz IRDBTOMZYFPJIR-WAAGHKOSSA-N 1 2 241.718 1.906 20 10 BDCDLO CN1CCOc2cc(C[NH+]3CC(C)(O)C3)ccc21 ZINC001141141297 960887248 /nfs/dbraw/zinc/88/72/48/960887248.db2.gz WTEVQOONLPFCPO-UHFFFAOYSA-N 1 2 248.326 1.082 20 10 BDCDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156216 960892688 /nfs/dbraw/zinc/89/26/88/960892688.db2.gz HHAZDNDIGREZLV-VIFPVBQESA-N 1 2 235.283 1.651 20 10 BDCDLO C[C@H]1CC(=O)CC[N@H+]1Cc1cc(O)ccc1O ZINC001141156216 960892692 /nfs/dbraw/zinc/89/26/92/960892692.db2.gz HHAZDNDIGREZLV-VIFPVBQESA-N 1 2 235.283 1.651 20 10 BDCDLO C[N@H+](Cc1ccon1)Cc1cc(O)ccc1O ZINC001141161787 960905476 /nfs/dbraw/zinc/90/54/76/960905476.db2.gz YFZMIZPNDMGSBL-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO C[N@@H+](Cc1ccon1)Cc1cc(O)ccc1O ZINC001141161787 960905495 /nfs/dbraw/zinc/90/54/95/960905495.db2.gz YFZMIZPNDMGSBL-UHFFFAOYSA-N 1 2 234.255 1.718 20 10 BDCDLO COc1cccc(C[NH+]2CC3(CCO3)C2)c1O ZINC001203596628 966699776 /nfs/dbraw/zinc/69/97/76/966699776.db2.gz MMBLQHQIDJOTIL-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO Oc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001204279287 966957797 /nfs/dbraw/zinc/95/77/97/966957797.db2.gz VYRDGIZJECJLIG-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO Oc1cc(C[N@@H+]2CCC[C@@H]2CF)cc(O)c1O ZINC001233016305 978415311 /nfs/dbraw/zinc/41/53/11/978415311.db2.gz SNVPTCJAIOPXSE-SECBINFHSA-N 1 2 241.262 1.737 20 10 BDCDLO Oc1cc(C[N@H+]2CCC[C@@H]2CF)cc(O)c1O ZINC001233016305 978415325 /nfs/dbraw/zinc/41/53/25/978415325.db2.gz SNVPTCJAIOPXSE-SECBINFHSA-N 1 2 241.262 1.737 20 10 BDCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCCOCC1 ZINC001233332019 978564112 /nfs/dbraw/zinc/56/41/12/978564112.db2.gz UQUCDCWUJAZGIS-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCCOCC1 ZINC001233332019 978564118 /nfs/dbraw/zinc/56/41/18/978564118.db2.gz UQUCDCWUJAZGIS-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC001181796029 979310623 /nfs/dbraw/zinc/31/06/23/979310623.db2.gz GVEKZHUNZSNSAJ-XVKPBYJWSA-N 1 2 243.253 1.626 20 10 BDCDLO CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590745062 982981364 /nfs/dbraw/zinc/98/13/64/982981364.db2.gz AMVWOLGALUIVJT-ZETCQYMHSA-N 1 2 233.275 1.243 20 10 BDCDLO CC[NH2+][C@H](CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590745657 982986767 /nfs/dbraw/zinc/98/67/67/982986767.db2.gz LOSFDXKRSYHGHU-SNVBAGLBSA-N 1 2 247.302 1.633 20 10 BDCDLO C[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001579505042 986041174 /nfs/dbraw/zinc/04/11/74/986041174.db2.gz GMMYFOBTZVZNEC-KCJUWKMLSA-N 1 2 240.734 1.886 20 10 BDCDLO C[C@H]1[NH2+]CC[C@@H]1NCc1cccc(Cl)c1O ZINC001579505042 986041181 /nfs/dbraw/zinc/04/11/81/986041181.db2.gz GMMYFOBTZVZNEC-KCJUWKMLSA-N 1 2 240.734 1.886 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138131461 990887735 /nfs/dbraw/zinc/88/77/35/990887735.db2.gz ZYCBMKDMFURIBH-GHMZBOCLSA-N 1 2 237.274 1.895 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138131461 990887737 /nfs/dbraw/zinc/88/77/37/990887737.db2.gz ZYCBMKDMFURIBH-GHMZBOCLSA-N 1 2 237.274 1.895 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140184075 991559374 /nfs/dbraw/zinc/55/93/74/991559374.db2.gz LWXUJFSUWZOBKU-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140184075 991559381 /nfs/dbraw/zinc/55/93/81/991559381.db2.gz LWXUJFSUWZOBKU-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO Cc1cc(O)c(C[NH2+]CC(F)(F)CO)cc1C ZINC000183874289 178196846 /nfs/dbraw/zinc/19/68/46/178196846.db2.gz PLBLFVCBDKSHSU-UHFFFAOYSA-N 1 2 245.269 1.726 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000037073664 343332899 /nfs/dbraw/zinc/33/28/99/343332899.db2.gz PDQYPGGMMFCVSV-QMMMGPOBSA-N 1 2 239.271 1.052 20 10 BDCDLO COC(=O)C[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000271271235 385812952 /nfs/dbraw/zinc/81/29/52/385812952.db2.gz NJARTOUQOGNYJH-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)C[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000271271235 385812956 /nfs/dbraw/zinc/81/29/56/385812956.db2.gz NJARTOUQOGNYJH-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000234573632 386081324 /nfs/dbraw/zinc/08/13/24/386081324.db2.gz VWPZWJVPDMOVQL-GFCCVEGCSA-N 1 2 235.283 1.433 20 10 BDCDLO Cc1nonc1C[N@@H+](C)Cc1ccccc1O ZINC000265128921 386309839 /nfs/dbraw/zinc/30/98/39/386309839.db2.gz MICYUNACJAKCLT-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO Cc1nonc1C[N@H+](C)Cc1ccccc1O ZINC000265128921 386309843 /nfs/dbraw/zinc/30/98/43/386309843.db2.gz MICYUNACJAKCLT-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO Nc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000368651594 386999917 /nfs/dbraw/zinc/99/99/17/386999917.db2.gz VXMKDFWHKUEZAW-SECBINFHSA-N 1 2 241.241 1.205 20 10 BDCDLO C[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000157758930 176705786 /nfs/dbraw/zinc/70/57/86/176705786.db2.gz BWKNZHFROXTGFD-SSDOTTSWSA-N 1 2 215.680 1.516 20 10 BDCDLO C[C@H](c1nnnn1C)[N@H+](C)Cc1ccccc1O ZINC000189663429 177055808 /nfs/dbraw/zinc/05/58/08/177055808.db2.gz NDQDJBBAFXEJKK-SECBINFHSA-N 1 2 247.302 1.109 20 10 BDCDLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1ccccc1O ZINC000189663429 177055810 /nfs/dbraw/zinc/05/58/10/177055810.db2.gz NDQDJBBAFXEJKK-SECBINFHSA-N 1 2 247.302 1.109 20 10 BDCDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877467644 583316391 /nfs/dbraw/zinc/31/63/91/583316391.db2.gz LNBVZBAUVHKQJK-IONNQARKSA-N 1 2 243.253 1.626 20 10 BDCDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877467644 583316393 /nfs/dbraw/zinc/31/63/93/583316393.db2.gz LNBVZBAUVHKQJK-IONNQARKSA-N 1 2 243.253 1.626 20 10 BDCDLO COC1(C)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894780661 583520318 /nfs/dbraw/zinc/52/03/18/583520318.db2.gz HORVRWNDVNCORH-UHFFFAOYSA-N 1 2 243.253 1.891 20 10 BDCDLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=CC(=O)CS1 ZINC000857980049 588927512 /nfs/dbraw/zinc/92/75/12/588927512.db2.gz SAQHJEWHXAVMLP-QMMMGPOBSA-N 1 2 249.295 1.525 20 10 BDCDLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC000897678347 584036642 /nfs/dbraw/zinc/03/66/42/584036642.db2.gz AIYUXJWHXZCUPF-XVKPBYJWSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC000897678347 584036645 /nfs/dbraw/zinc/03/66/45/584036645.db2.gz AIYUXJWHXZCUPF-XVKPBYJWSA-N 1 2 243.253 1.483 20 10 BDCDLO CCOC1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000839132030 585094159 /nfs/dbraw/zinc/09/41/59/585094159.db2.gz IQYADKLYDCAIND-UHFFFAOYSA-N 1 2 237.299 1.622 20 10 BDCDLO COc1cccc(O)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000769384041 585554921 /nfs/dbraw/zinc/55/49/21/585554921.db2.gz KJGIEFKVMYNZPC-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO C[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809742543 586515759 /nfs/dbraw/zinc/51/57/59/586515759.db2.gz CNZDUMXQJULCOH-ZETCQYMHSA-N 1 2 247.697 1.997 20 10 BDCDLO C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809742543 586515760 /nfs/dbraw/zinc/51/57/60/586515760.db2.gz CNZDUMXQJULCOH-ZETCQYMHSA-N 1 2 247.697 1.997 20 10 BDCDLO CC[N@H+](CC[NH3+])Cc1cccc(Cl)c1O ZINC000863644362 589306843 /nfs/dbraw/zinc/30/68/43/589306843.db2.gz SVDQKIPTOGSZJA-UHFFFAOYSA-N 1 2 228.723 1.826 20 10 BDCDLO COC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019885505 590032888 /nfs/dbraw/zinc/03/28/88/590032888.db2.gz YHFGHMNVBXATJG-QMMMGPOBSA-N 1 2 239.271 1.224 20 10 BDCDLO Cn1cncc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703422 590396079 /nfs/dbraw/zinc/39/60/79/590396079.db2.gz IPAQIBIWMHXEQV-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1cncc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703422 590396080 /nfs/dbraw/zinc/39/60/80/590396080.db2.gz IPAQIBIWMHXEQV-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000879650919 590843401 /nfs/dbraw/zinc/84/34/01/590843401.db2.gz WYSNYYPVYGJVGW-ZANVPECISA-N 1 2 249.310 1.994 20 10 BDCDLO Cc1cccc(C[NH2+]Cc2ccn[nH]2)c1O ZINC000162826265 633040537 /nfs/dbraw/zinc/04/05/37/633040537.db2.gz VYFXWEKFWQXNLB-UHFFFAOYSA-N 1 2 217.272 1.714 20 10 BDCDLO OC/C=C/C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708420544 712193941 /nfs/dbraw/zinc/19/39/41/712193941.db2.gz JMFXVHOZFUSJQT-OWOJBTEDSA-N 1 2 229.226 1.309 20 10 BDCDLO C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534685 712211969 /nfs/dbraw/zinc/21/19/69/712211969.db2.gz DDCHXPKUZGARAF-WRWORJQWSA-N 1 2 243.253 1.795 20 10 BDCDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c(O)c1 ZINC000398084872 711401063 /nfs/dbraw/zinc/40/10/63/711401063.db2.gz PLRIEHDUNWDEKU-SECBINFHSA-N 1 2 247.302 1.075 20 10 BDCDLO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708534683 712211622 /nfs/dbraw/zinc/21/16/22/712211622.db2.gz DDCHXPKUZGARAF-HQJQHLMTSA-N 1 2 243.253 1.795 20 10 BDCDLO OCC1C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233334357 978569487 /nfs/dbraw/zinc/56/94/87/978569487.db2.gz CQMLLUMIEFUVHP-UHFFFAOYSA-N 1 2 229.226 1.095 20 10 BDCDLO C[N@H+](CCO)Cc1c(O)ccc(F)c1Cl ZINC001236256830 979478492 /nfs/dbraw/zinc/47/84/92/979478492.db2.gz SEXCQRZHJBNLML-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO C[N@@H+](CCO)Cc1c(O)ccc(F)c1Cl ZINC001236256830 979478497 /nfs/dbraw/zinc/47/84/97/979478497.db2.gz SEXCQRZHJBNLML-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO Oc1cc(F)c(F)cc1C[NH+]1CC2(COC2)C1 ZINC001142508860 961464239 /nfs/dbraw/zinc/46/42/39/961464239.db2.gz OFQHZFQXSYIXBE-UHFFFAOYSA-N 1 2 241.237 1.503 20 10 BDCDLO [NH3+][C@]12C[C@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001236032146 966249057 /nfs/dbraw/zinc/24/90/57/966249057.db2.gz YITDROGCHDAXFT-MADCSZMMSA-N 1 2 240.253 1.203 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CCn2nccc2C1 ZINC001203561368 966689998 /nfs/dbraw/zinc/68/99/98/966689998.db2.gz SRLYBGYQCBXYSC-UHFFFAOYSA-N 1 2 229.283 1.605 20 10 BDCDLO Oc1ccccc1C[N@H+]1CCn2nccc2C1 ZINC001203561368 966690007 /nfs/dbraw/zinc/69/00/07/966690007.db2.gz SRLYBGYQCBXYSC-UHFFFAOYSA-N 1 2 229.283 1.605 20 10 BDCDLO Oc1c(F)ccc(F)c1CN1CCC[NH2+]CC1 ZINC001204667329 967128117 /nfs/dbraw/zinc/12/81/17/967128117.db2.gz HLBFWLDOBWYMQL-UHFFFAOYSA-N 1 2 242.269 1.466 20 10 BDCDLO CCc1ccc(CN2CC[NH+](C)CC2)c(O)c1 ZINC001236784387 979729324 /nfs/dbraw/zinc/72/93/24/979729324.db2.gz VXHUBELVYNTIJM-UHFFFAOYSA-N 1 2 234.343 1.702 20 10 BDCDLO CC[C@H]([NH3+])CN(C)Cc1c(O)cc(F)cc1F ZINC001236867894 979773522 /nfs/dbraw/zinc/77/35/22/979773522.db2.gz FFFOTEPAWURBSP-VIFPVBQESA-N 1 2 244.285 1.840 20 10 BDCDLO CCOc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001237042028 979809043 /nfs/dbraw/zinc/80/90/43/979809043.db2.gz CVWJOVYSKNBLMK-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO CCn1ccc(-c2ccc[nH+]c2N)cc1=O ZINC001243477516 985038180 /nfs/dbraw/zinc/03/81/80/985038180.db2.gz RJKHTTMSNVPKRB-UHFFFAOYSA-N 1 2 215.256 1.512 20 10 BDCDLO CN(C)C(=O)C[N@H+](C)Cc1c(O)cccc1F ZINC001137837436 990855549 /nfs/dbraw/zinc/85/55/49/990855549.db2.gz GVNNZIOYBJFPDQ-UHFFFAOYSA-N 1 2 240.278 1.051 20 10 BDCDLO CN(C)C(=O)C[N@@H+](C)Cc1c(O)cccc1F ZINC001137837436 990855552 /nfs/dbraw/zinc/85/55/52/990855552.db2.gz GVNNZIOYBJFPDQ-UHFFFAOYSA-N 1 2 240.278 1.051 20 10 BDCDLO C[C@@H](C(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC001318162723 991630526 /nfs/dbraw/zinc/63/05/26/991630526.db2.gz GKPRPZZNWJEDOI-JTQLQIEISA-N 1 2 245.282 1.466 20 10 BDCDLO C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CC[NH2+]C1 ZINC001576545878 993339269 /nfs/dbraw/zinc/33/92/69/993339269.db2.gz TYQJBYUVDUTREV-GFCCVEGCSA-N 1 2 242.269 1.512 20 10 BDCDLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000049368730 188124238 /nfs/dbraw/zinc/12/42/38/188124238.db2.gz HRXSUWAXZYXWAL-VHSXEESVSA-N 1 2 237.299 1.994 20 10 BDCDLO OCC(F)(F)C[NH2+]Cc1cccc(F)c1O ZINC000231901592 183033662 /nfs/dbraw/zinc/03/36/62/183033662.db2.gz KXHZCRDBJVRNFM-UHFFFAOYSA-N 1 2 235.205 1.249 20 10 BDCDLO Oc1ccc(F)cc1CN1CCn2c[nH+]cc2C1 ZINC000291568381 183275733 /nfs/dbraw/zinc/27/57/33/183275733.db2.gz NQKDSICBOPMAHZ-UHFFFAOYSA-N 1 2 247.273 1.744 20 10 BDCDLO Oc1ccccc1C[NH2+]Cc1ccn[nH]1 ZINC000041014071 183303977 /nfs/dbraw/zinc/30/39/77/183303977.db2.gz TTXYWMVCWUSPLH-UHFFFAOYSA-N 1 2 203.245 1.405 20 10 BDCDLO C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187813786 384319873 /nfs/dbraw/zinc/31/98/73/384319873.db2.gz ONJAIXBLYYSIQM-RNFRBKRXSA-N 1 2 231.242 1.702 20 10 BDCDLO C[C@H]([NH2+]CCF)c1cc([N+](=O)[O-])ccc1O ZINC000280873984 385380905 /nfs/dbraw/zinc/38/09/05/385380905.db2.gz AJPZRDWMSPVGCV-ZETCQYMHSA-N 1 2 228.223 1.921 20 10 BDCDLO COC(=O)[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000234563628 386079657 /nfs/dbraw/zinc/07/96/57/386079657.db2.gz VWPZWJVPDMOVQL-LBPRGKRZSA-N 1 2 235.283 1.433 20 10 BDCDLO Oc1c(F)cccc1C[N@H+](C1CC1)C1COC1 ZINC000296164742 386144618 /nfs/dbraw/zinc/14/46/18/386144618.db2.gz WSNWTTFOSANFJS-UHFFFAOYSA-N 1 2 237.274 1.895 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+](C1CC1)C1COC1 ZINC000296164742 386144627 /nfs/dbraw/zinc/14/46/27/386144627.db2.gz WSNWTTFOSANFJS-UHFFFAOYSA-N 1 2 237.274 1.895 20 10 BDCDLO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187813766 386602311 /nfs/dbraw/zinc/60/23/11/386602311.db2.gz ONJAIXBLYYSIQM-RQJHMYQMSA-N 1 2 231.242 1.702 20 10 BDCDLO C[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162866549 388254197 /nfs/dbraw/zinc/25/41/97/388254197.db2.gz AUFUXJGZDCVEDN-QMMMGPOBSA-N 1 2 229.707 1.906 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ncn(C)n1 ZINC000275622493 388345308 /nfs/dbraw/zinc/34/53/08/388345308.db2.gz AGEAIVBPEAGZBE-VHSXEESVSA-N 1 2 246.314 1.933 20 10 BDCDLO COc1ccc2c(c1)CCN2Cc1c[nH+]cn1C ZINC000177028164 175209212 /nfs/dbraw/zinc/20/92/12/175209212.db2.gz IEWNECHYOKETTE-UHFFFAOYSA-N 1 2 243.310 1.991 20 10 BDCDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000123385009 176046583 /nfs/dbraw/zinc/04/65/83/176046583.db2.gz AYLPATVYSGDERT-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000123385009 176046585 /nfs/dbraw/zinc/04/65/85/176046585.db2.gz AYLPATVYSGDERT-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO CN(C)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1F ZINC000894207891 583355859 /nfs/dbraw/zinc/35/58/59/583355859.db2.gz ANZJIKPZUPJXNC-UHFFFAOYSA-N 1 2 248.305 1.905 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1COCO1 ZINC000894875528 583541526 /nfs/dbraw/zinc/54/15/26/583541526.db2.gz FRKOQJRGKPTFFA-VIFPVBQESA-N 1 2 243.690 1.508 20 10 BDCDLO O=C(NCCc1[nH]cc[nH+]1)C1=CC(=O)CS1 ZINC000746691164 585172186 /nfs/dbraw/zinc/17/21/86/585172186.db2.gz BNJJQDNIKHHMRR-UHFFFAOYSA-N 1 2 237.284 1.149 20 10 BDCDLO C[C@@H]([NH2+][C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000774481032 585660210 /nfs/dbraw/zinc/66/02/10/585660210.db2.gz HBPYPHCFSVIIGM-ZWNOBZJWSA-N 1 2 248.326 1.719 20 10 BDCDLO CC1(C)C[NH+](CC(=O)NCc2ccccc2O)C1 ZINC000816912077 586771195 /nfs/dbraw/zinc/77/11/95/586771195.db2.gz JISYXRVOYOEGFP-UHFFFAOYSA-N 1 2 248.326 1.350 20 10 BDCDLO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942132 586845582 /nfs/dbraw/zinc/84/55/82/586845582.db2.gz XADDSTHUDCLDOS-MWLCHTKSSA-N 1 2 238.306 1.934 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817969363 586856140 /nfs/dbraw/zinc/85/61/40/586856140.db2.gz CPRHXCGBDGRQNH-NKWVEPMBSA-N 1 2 230.258 1.668 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876588458 590219272 /nfs/dbraw/zinc/21/92/72/590219272.db2.gz WGIDRFMMXJZCML-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876588458 590219273 /nfs/dbraw/zinc/21/92/73/590219273.db2.gz WGIDRFMMXJZCML-UHFFFAOYSA-N 1 2 223.272 1.305 20 10 BDCDLO CNC(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000132593998 591722336 /nfs/dbraw/zinc/72/23/36/591722336.db2.gz NWRBJRCLLVPQQH-UHFFFAOYSA-N 1 2 242.706 1.223 20 10 BDCDLO CNC(=O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132593998 591722340 /nfs/dbraw/zinc/72/23/40/591722340.db2.gz NWRBJRCLLVPQQH-UHFFFAOYSA-N 1 2 242.706 1.223 20 10 BDCDLO C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134899862 591958114 /nfs/dbraw/zinc/95/81/14/591958114.db2.gz OCEFYCUWARQNOH-RQJHMYQMSA-N 1 2 231.242 1.702 20 10 BDCDLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894857781 635957101 /nfs/dbraw/zinc/95/71/01/635957101.db2.gz SQPALSOTBOMLJH-JTQLQIEISA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894857781 635957105 /nfs/dbraw/zinc/95/71/05/635957105.db2.gz SQPALSOTBOMLJH-JTQLQIEISA-N 1 2 243.253 1.891 20 10 BDCDLO Cc1cccc(C[NH2+]CC(F)(F)CO)c1O ZINC000185661192 643349921 /nfs/dbraw/zinc/34/99/21/643349921.db2.gz PIUWNMGSVITDBI-UHFFFAOYSA-N 1 2 231.242 1.418 20 10 BDCDLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000398334230 711408635 /nfs/dbraw/zinc/40/86/35/711408635.db2.gz AHNDCTYDWYVOQP-UHFFFAOYSA-N 1 2 232.287 1.412 20 10 BDCDLO c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)co1 ZINC000397875727 711394106 /nfs/dbraw/zinc/39/41/06/711394106.db2.gz VOUVOFVYYJGNEW-UHFFFAOYSA-N 1 2 230.267 1.899 20 10 BDCDLO Nc1ccc(CO[C@@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001217854325 971446123 /nfs/dbraw/zinc/44/61/23/971446123.db2.gz FWDYTLNNWXZXFC-NSHDSACASA-N 1 2 242.269 1.783 20 10 BDCDLO CCOC(=O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001207417579 959928205 /nfs/dbraw/zinc/92/82/05/959928205.db2.gz ZVBPZXHQTFBFRK-UHFFFAOYSA-N 1 2 235.283 1.313 20 10 BDCDLO CCOC(=O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001207417579 959928212 /nfs/dbraw/zinc/92/82/12/959928212.db2.gz ZVBPZXHQTFBFRK-UHFFFAOYSA-N 1 2 235.283 1.313 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140620027 960465037 /nfs/dbraw/zinc/46/50/37/960465037.db2.gz ZWXMNFIQXMXKOI-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1cc(C)ccc1O ZINC001140620027 960465053 /nfs/dbraw/zinc/46/50/53/960465053.db2.gz ZWXMNFIQXMXKOI-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203875798 966806195 /nfs/dbraw/zinc/80/61/95/966806195.db2.gz VQOKICNMRJOKGP-SNVBAGLBSA-N 1 2 249.310 1.899 20 10 BDCDLO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203875798 966806199 /nfs/dbraw/zinc/80/61/99/966806199.db2.gz VQOKICNMRJOKGP-SNVBAGLBSA-N 1 2 249.310 1.899 20 10 BDCDLO COC[C@@H]1CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015861 978415298 /nfs/dbraw/zinc/41/52/98/978415298.db2.gz HHNFWAOCFAODKQ-VIFPVBQESA-N 1 2 239.271 1.024 20 10 BDCDLO COC[C@@H]1CC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015861 978415304 /nfs/dbraw/zinc/41/53/04/978415304.db2.gz HHNFWAOCFAODKQ-VIFPVBQESA-N 1 2 239.271 1.024 20 10 BDCDLO COC[C@H]1CC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233336291 978567882 /nfs/dbraw/zinc/56/78/82/978567882.db2.gz GRVXQEGZLPTCHY-MRVPVSSYSA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@H]1CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233336291 978567887 /nfs/dbraw/zinc/56/78/87/978567887.db2.gz GRVXQEGZLPTCHY-MRVPVSSYSA-N 1 2 243.253 1.891 20 10 BDCDLO [NH3+][C@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001236169664 979427584 /nfs/dbraw/zinc/42/75/84/979427584.db2.gz RCGQCDOTIDBMRE-ZETCQYMHSA-N 1 2 228.242 1.203 20 10 BDCDLO CN(C(=O)C[C@@H]([NH3+])C(F)F)c1ccc(N)cc1 ZINC001342239994 979726513 /nfs/dbraw/zinc/72/65/13/979726513.db2.gz OLQLEDMQQVSAHV-SECBINFHSA-N 1 2 243.257 1.214 20 10 BDCDLO CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590637872 982961187 /nfs/dbraw/zinc/96/11/87/982961187.db2.gz HKCFAFYUKJQAOV-QMMMGPOBSA-N 1 2 247.302 1.633 20 10 BDCDLO C[N@H+](Cc1c(O)cccc1F)C1(C)COC1 ZINC001137838904 990858826 /nfs/dbraw/zinc/85/88/26/990858826.db2.gz MEQUVRHZOQCCFA-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO C[N@@H+](Cc1c(O)cccc1F)C1(C)COC1 ZINC001137838904 990858829 /nfs/dbraw/zinc/85/88/29/990858829.db2.gz MEQUVRHZOQCCFA-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CC(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC001138124081 990886411 /nfs/dbraw/zinc/88/64/11/990886411.db2.gz YQOQOBYOEKUOEN-UHFFFAOYSA-N 1 2 211.236 1.552 20 10 BDCDLO Cc1nc([C@H](C)[NH2+]Cc2ccccc2O)no1 ZINC001261186873 992190844 /nfs/dbraw/zinc/19/08/44/992190844.db2.gz RSDCHECWXRWTOU-QMMMGPOBSA-N 1 2 233.271 1.934 20 10 BDCDLO CC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000160195118 353259257 /nfs/dbraw/zinc/25/92/57/353259257.db2.gz XRKARCSZTXKQTH-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO CCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000160195118 353259261 /nfs/dbraw/zinc/25/92/61/353259261.db2.gz XRKARCSZTXKQTH-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO OCC(F)(F)C[NH2+]Cc1ccccc1O ZINC000183873273 183035770 /nfs/dbraw/zinc/03/57/70/183035770.db2.gz WXLDBBIWTLDZQH-UHFFFAOYSA-N 1 2 217.215 1.109 20 10 BDCDLO Cn1cnnc1C[N@H+](C)Cc1ccccc1O ZINC000111235005 384584012 /nfs/dbraw/zinc/58/40/12/384584012.db2.gz QNZKWFPUDDWLDX-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO Cn1cnnc1C[N@@H+](C)Cc1ccccc1O ZINC000111235005 384584018 /nfs/dbraw/zinc/58/40/18/384584018.db2.gz QNZKWFPUDDWLDX-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO COC(=O)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000271468420 385830994 /nfs/dbraw/zinc/83/09/94/385830994.db2.gz YKIGZNZVEIBIRI-UHFFFAOYSA-N 1 2 235.283 1.530 20 10 BDCDLO COC(=O)C[N@@H+](Cc1ccccc1O)C1CC1 ZINC000271468420 385830996 /nfs/dbraw/zinc/83/09/96/385830996.db2.gz YKIGZNZVEIBIRI-UHFFFAOYSA-N 1 2 235.283 1.530 20 10 BDCDLO Cc1[nH]ncc1C[NH2+]Cc1ccccc1O ZINC000038011109 386110976 /nfs/dbraw/zinc/11/09/76/386110976.db2.gz PRFIYNPSHMPMNA-UHFFFAOYSA-N 1 2 217.272 1.714 20 10 BDCDLO CC[N@H+](CCCO)c1ccc(OC)cc1 ZINC000264209427 386218320 /nfs/dbraw/zinc/21/83/20/386218320.db2.gz LXWMPUDKVOBWMP-UHFFFAOYSA-N 1 2 209.289 1.904 20 10 BDCDLO CC[N@@H+](CCCO)c1ccc(OC)cc1 ZINC000264209427 386218326 /nfs/dbraw/zinc/21/83/26/386218326.db2.gz LXWMPUDKVOBWMP-UHFFFAOYSA-N 1 2 209.289 1.904 20 10 BDCDLO COC(=O)[C@@H]([NH2+]Cc1cccc(C)c1O)C1CC1 ZINC000276458868 386326819 /nfs/dbraw/zinc/32/68/19/386326819.db2.gz KYZKXIGVPCPNFL-LBPRGKRZSA-N 1 2 249.310 1.742 20 10 BDCDLO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ncn(C)n1 ZINC000275622492 388345237 /nfs/dbraw/zinc/34/52/37/388345237.db2.gz AGEAIVBPEAGZBE-UWVGGRQHSA-N 1 2 246.314 1.933 20 10 BDCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc[nH]2)c1 ZINC000037919246 175160756 /nfs/dbraw/zinc/16/07/56/175160756.db2.gz QIUBJTRTLFSIIE-QMMMGPOBSA-N 1 2 248.286 1.370 20 10 BDCDLO Oc1ccc(F)cc1C[NH2+]C(CF)CF ZINC000824554290 587275719 /nfs/dbraw/zinc/27/57/19/587275719.db2.gz DVQANJODVUUYHL-UHFFFAOYSA-N 1 2 219.206 1.929 20 10 BDCDLO CCn1cc(C[N@@H+]2Cc3cccc(O)c3C2)nn1 ZINC000895785189 583727277 /nfs/dbraw/zinc/72/72/77/583727277.db2.gz OWVULETWDMRHQF-UHFFFAOYSA-N 1 2 244.298 1.519 20 10 BDCDLO CCn1cc(C[N@H+]2Cc3cccc(O)c3C2)nn1 ZINC000895785189 583727278 /nfs/dbraw/zinc/72/72/78/583727278.db2.gz OWVULETWDMRHQF-UHFFFAOYSA-N 1 2 244.298 1.519 20 10 BDCDLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC000897678345 584035960 /nfs/dbraw/zinc/03/59/60/584035960.db2.gz AIYUXJWHXZCUPF-OIBJUYFYSA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC000897678345 584035962 /nfs/dbraw/zinc/03/59/62/584035962.db2.gz AIYUXJWHXZCUPF-OIBJUYFYSA-N 1 2 243.253 1.483 20 10 BDCDLO COC1(C)C[NH+](Cc2cccc(F)c2O)C1 ZINC000839100899 585090819 /nfs/dbraw/zinc/09/08/19/585090819.db2.gz FXQINSBHLIBVAZ-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1ccc(F)cc1C[NH+]1CC(OC(F)F)C1 ZINC000839143693 585094672 /nfs/dbraw/zinc/09/46/72/585094672.db2.gz JNYPKRDDZXSXFA-UHFFFAOYSA-N 1 2 247.216 1.955 20 10 BDCDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccccc1O ZINC000775985865 585688148 /nfs/dbraw/zinc/68/81/48/585688148.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccccc1O ZINC000775985865 585688149 /nfs/dbraw/zinc/68/81/49/585688149.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521805 585699911 /nfs/dbraw/zinc/69/99/11/585699911.db2.gz UNNVBAISOWFRPL-ZETCQYMHSA-N 1 2 247.697 1.997 20 10 BDCDLO C[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521805 585699912 /nfs/dbraw/zinc/69/99/12/585699912.db2.gz UNNVBAISOWFRPL-ZETCQYMHSA-N 1 2 247.697 1.997 20 10 BDCDLO Oc1ccccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000779017784 585743669 /nfs/dbraw/zinc/74/36/69/585743669.db2.gz BPRBOSGAYIALEO-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Oc1ccccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000779017784 585743670 /nfs/dbraw/zinc/74/36/70/585743670.db2.gz BPRBOSGAYIALEO-UHFFFAOYSA-N 1 2 229.283 1.674 20 10 BDCDLO Cc1cccc(C[N@@H+]2CCn3nncc3C2)c1O ZINC000848921831 588420817 /nfs/dbraw/zinc/42/08/17/588420817.db2.gz HPGGRXWXDICXKB-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1cccc(C[N@H+]2CCn3nncc3C2)c1O ZINC000848921831 588420818 /nfs/dbraw/zinc/42/08/18/588420818.db2.gz HPGGRXWXDICXKB-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO C[C@H]([NH2+]C/C=C\CO)c1cc(F)cc(F)c1O ZINC000850510710 588555446 /nfs/dbraw/zinc/55/54/46/588555446.db2.gz ZSDCAGVEYXHOSJ-KZUAUGPASA-N 1 2 243.253 1.870 20 10 BDCDLO CN(CCOCC(F)F)c1ccc([NH3+])cc1 ZINC000863558593 589298810 /nfs/dbraw/zinc/29/88/10/589298810.db2.gz OMXJGMCUIVRAMH-UHFFFAOYSA-N 1 2 230.258 1.987 20 10 BDCDLO OC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876660518 590227393 /nfs/dbraw/zinc/22/73/93/590227393.db2.gz UUAVZFDMXLZSIA-MRVPVSSYSA-N 1 2 243.253 1.485 20 10 BDCDLO OC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876660518 590227395 /nfs/dbraw/zinc/22/73/95/590227395.db2.gz UUAVZFDMXLZSIA-MRVPVSSYSA-N 1 2 243.253 1.485 20 10 BDCDLO Cc1cccc(O)c1C[N@H+](CCO)CC(F)F ZINC000877491446 590340382 /nfs/dbraw/zinc/34/03/82/590340382.db2.gz SSERWRUONFZTGA-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+](CCO)CC(F)F ZINC000877491446 590340385 /nfs/dbraw/zinc/34/03/85/590340385.db2.gz SSERWRUONFZTGA-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO C[C@@H](CCO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877614965 590374238 /nfs/dbraw/zinc/37/42/38/590374238.db2.gz KURHVEYOEZASST-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@@H](CCO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877614965 590374240 /nfs/dbraw/zinc/37/42/40/590374240.db2.gz KURHVEYOEZASST-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1ccon1)C2 ZINC000877702579 590396071 /nfs/dbraw/zinc/39/60/71/590396071.db2.gz CDQPEOZHYZXQAX-UHFFFAOYSA-N 1 2 216.240 1.896 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1ccon1)C2 ZINC000877702579 590396072 /nfs/dbraw/zinc/39/60/72/590396072.db2.gz CDQPEOZHYZXQAX-UHFFFAOYSA-N 1 2 216.240 1.896 20 10 BDCDLO Nc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000911659861 639692257 /nfs/dbraw/zinc/69/22/57/639692257.db2.gz FWVWGDRLKXNHAV-MRVPVSSYSA-N 1 2 229.230 1.190 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000165164071 640543582 /nfs/dbraw/zinc/54/35/82/640543582.db2.gz FNWQPGVTVMBCCT-LLVKDONJSA-N 1 2 241.718 1.906 20 10 BDCDLO Cn1nccc1CC[N@H+](C)c1ccc(N)cc1 ZINC000230764773 641090809 /nfs/dbraw/zinc/09/08/09/641090809.db2.gz MIKVZGOXRMPLOK-UHFFFAOYSA-N 1 2 230.315 1.681 20 10 BDCDLO Cn1nccc1CC[N@@H+](C)c1ccc(N)cc1 ZINC000230764773 641090815 /nfs/dbraw/zinc/09/08/15/641090815.db2.gz MIKVZGOXRMPLOK-UHFFFAOYSA-N 1 2 230.315 1.681 20 10 BDCDLO Cn1ncnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000080531303 644274233 /nfs/dbraw/zinc/27/42/33/644274233.db2.gz QELOMLAUNDGFAH-UHFFFAOYSA-N 1 2 244.298 1.040 20 10 BDCDLO CC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394191 712192785 /nfs/dbraw/zinc/19/27/85/712192785.db2.gz RNOKAFISHOBQLC-SECBINFHSA-N 1 2 231.242 1.531 20 10 BDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCOCC1 ZINC001142509000 964345512 /nfs/dbraw/zinc/34/55/12/964345512.db2.gz SKHGWBLTLDGJIM-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCOCC1 ZINC001142509000 964345523 /nfs/dbraw/zinc/34/55/23/964345523.db2.gz SKHGWBLTLDGJIM-UHFFFAOYSA-N 1 2 243.253 1.893 20 10 BDCDLO OCC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC001231912186 977799232 /nfs/dbraw/zinc/79/92/32/977799232.db2.gz XWWVYQRQUVZRHY-UHFFFAOYSA-N 1 2 227.691 1.470 20 10 BDCDLO CC(=O)OC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140949846 960745757 /nfs/dbraw/zinc/74/57/57/960745757.db2.gz NDCGPIURETWVQJ-UHFFFAOYSA-N 1 2 235.283 1.448 20 10 BDCDLO Oc1c(CN2CCC[NH2+]CC2)ccc(F)c1F ZINC001204674770 961397032 /nfs/dbraw/zinc/39/70/32/961397032.db2.gz CKISZDFWRZEOKX-UHFFFAOYSA-N 1 2 242.269 1.466 20 10 BDCDLO CCOc1cccc(C[N@@H+]2CCC23COC3)c1O ZINC001203609223 966704280 /nfs/dbraw/zinc/70/42/80/966704280.db2.gz MHEYJGZDJFPRFQ-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO CCOc1cccc(C[N@H+]2CCC23COC3)c1O ZINC001203609223 966704296 /nfs/dbraw/zinc/70/42/96/966704296.db2.gz MHEYJGZDJFPRFQ-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001137831517 967820282 /nfs/dbraw/zinc/82/02/82/967820282.db2.gz CGLKVEOYTIARTH-AOOOYVTPSA-N 1 2 237.274 1.895 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001137831517 967820283 /nfs/dbraw/zinc/82/02/83/967820283.db2.gz CGLKVEOYTIARTH-AOOOYVTPSA-N 1 2 237.274 1.895 20 10 BDCDLO C[C@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137832059 967824640 /nfs/dbraw/zinc/82/46/40/967824640.db2.gz ZBIVWVLWEIUZQG-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137832059 967824641 /nfs/dbraw/zinc/82/46/41/967824641.db2.gz ZBIVWVLWEIUZQG-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO CCc1ccc(C[N@@H+]2CC[C@H]2C(=O)OC)c(O)c1 ZINC001236784676 979728036 /nfs/dbraw/zinc/72/80/36/979728036.db2.gz YDCKXSPVTGJCLK-LBPRGKRZSA-N 1 2 249.310 1.702 20 10 BDCDLO CCc1ccc(C[N@H+]2CC[C@H]2C(=O)OC)c(O)c1 ZINC001236784676 979728047 /nfs/dbraw/zinc/72/80/47/979728047.db2.gz YDCKXSPVTGJCLK-LBPRGKRZSA-N 1 2 249.310 1.702 20 10 BDCDLO Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001239315928 980525586 /nfs/dbraw/zinc/52/55/86/980525586.db2.gz IJQKWPPWADJWEZ-JTQLQIEISA-N 1 2 228.242 1.645 20 10 BDCDLO Oc1ccc(C[N@H+](C2CC2)C2COC2)cc1O ZINC001203882556 982587004 /nfs/dbraw/zinc/58/70/04/982587004.db2.gz LHCMZPRUOYKEND-UHFFFAOYSA-N 1 2 235.283 1.461 20 10 BDCDLO Oc1ccc(C[N@@H+](C2CC2)C2COC2)cc1O ZINC001203882556 982587014 /nfs/dbraw/zinc/58/70/14/982587014.db2.gz LHCMZPRUOYKEND-UHFFFAOYSA-N 1 2 235.283 1.461 20 10 BDCDLO COC(=O)N1CCC([NH2+]c2ccc(N)cc2)CC1 ZINC000689497774 986673356 /nfs/dbraw/zinc/67/33/56/986673356.db2.gz YSZNXLJOQXCHKZ-UHFFFAOYSA-N 1 2 249.314 1.912 20 10 BDCDLO C[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831526 990854216 /nfs/dbraw/zinc/85/42/16/990854216.db2.gz CTAHADZOKQQKQN-UHFFFAOYSA-N 1 2 224.279 1.279 20 10 BDCDLO CN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831526 990854217 /nfs/dbraw/zinc/85/42/17/990854217.db2.gz CTAHADZOKQQKQN-UHFFFAOYSA-N 1 2 224.279 1.279 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1O)C1(C)COC1 ZINC001138128660 990886978 /nfs/dbraw/zinc/88/69/78/990886978.db2.gz SZSYDMRNMDOUBS-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1O)C1(C)COC1 ZINC001138128660 990886981 /nfs/dbraw/zinc/88/69/81/990886981.db2.gz SZSYDMRNMDOUBS-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CC(C)(CO)[NH2+]Cc1cccc(Cl)c1O ZINC000163728613 191059080 /nfs/dbraw/zinc/05/90/80/191059080.db2.gz ZARVKIFGQFDXDG-UHFFFAOYSA-N 1 2 229.707 1.906 20 10 BDCDLO OC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000132499437 183154223 /nfs/dbraw/zinc/15/42/23/183154223.db2.gz AAZUEZRNNUAJGC-VIFPVBQESA-N 1 2 241.718 1.860 20 10 BDCDLO OC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000132499437 183154226 /nfs/dbraw/zinc/15/42/26/183154226.db2.gz AAZUEZRNNUAJGC-VIFPVBQESA-N 1 2 241.718 1.860 20 10 BDCDLO CCC[N@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000295142132 169172693 /nfs/dbraw/zinc/17/26/93/169172693.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO CCC[N@@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000295142132 169172695 /nfs/dbraw/zinc/17/26/95/169172695.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO CCC[N@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000295142132 169172697 /nfs/dbraw/zinc/17/26/97/169172697.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO CCC[N@@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000295142132 169172699 /nfs/dbraw/zinc/17/26/99/169172699.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO CCC[N@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000295142132 169172701 /nfs/dbraw/zinc/17/27/01/169172701.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO CCC[N@@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000295142132 169172702 /nfs/dbraw/zinc/17/27/02/169172702.db2.gz ZSCSCFPCTMJGFA-UHFFFAOYSA-N 1 2 246.314 1.923 20 10 BDCDLO COC(=O)C(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000071407682 384165733 /nfs/dbraw/zinc/16/57/33/384165733.db2.gz SAWWPGMJOSUVBT-UHFFFAOYSA-N 1 2 237.299 1.742 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000160246603 384671533 /nfs/dbraw/zinc/67/15/33/384671533.db2.gz OXYLQNQSHJFJAH-PHIMTYICSA-N 1 2 237.274 1.895 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000160246603 384671547 /nfs/dbraw/zinc/67/15/47/384671547.db2.gz OXYLQNQSHJFJAH-PHIMTYICSA-N 1 2 237.274 1.895 20 10 BDCDLO C[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273614232 397999194 /nfs/dbraw/zinc/99/91/94/397999194.db2.gz WWHNQNDCKOLWAB-YUMQZZPRSA-N 1 2 240.259 1.332 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187869 584093744 /nfs/dbraw/zinc/09/37/44/584093744.db2.gz MKSNVMUEYZAPJJ-ZYHUDNBSSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187869 584093746 /nfs/dbraw/zinc/09/37/46/584093746.db2.gz MKSNVMUEYZAPJJ-ZYHUDNBSSA-N 1 2 243.253 1.436 20 10 BDCDLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1O ZINC000770489885 585574957 /nfs/dbraw/zinc/57/49/57/585574957.db2.gz CSYPYYCMRBKHHU-UHFFFAOYSA-N 1 2 247.254 1.059 20 10 BDCDLO C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817969362 586856040 /nfs/dbraw/zinc/85/60/40/586856040.db2.gz CPRHXCGBDGRQNH-BQBZGAKWSA-N 1 2 230.258 1.668 20 10 BDCDLO COc1cccc(O)c1C[NH2+]C(CF)CF ZINC000824555096 587275871 /nfs/dbraw/zinc/27/58/71/587275871.db2.gz PWAOELBHWDYTNE-UHFFFAOYSA-N 1 2 231.242 1.798 20 10 BDCDLO COc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1O ZINC000826770619 587362033 /nfs/dbraw/zinc/36/20/33/587362033.db2.gz YKDCVEDHEIIBFU-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO COc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1O ZINC000826770619 587362034 /nfs/dbraw/zinc/36/20/34/587362034.db2.gz YKDCVEDHEIIBFU-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO CN(CC1CC1)C(=O)CN(C)c1ccc([NH3+])cc1 ZINC000863557709 589298739 /nfs/dbraw/zinc/29/87/39/589298739.db2.gz UGNCKMQCXONSCE-UHFFFAOYSA-N 1 2 247.342 1.573 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+]1Cc2cnn(C)c2C1 ZINC000877632484 590379216 /nfs/dbraw/zinc/37/92/16/590379216.db2.gz ASALIMNTWUQDPB-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1cccc(O)c1C[N@H+]1Cc2cnn(C)c2C1 ZINC000877632484 590379217 /nfs/dbraw/zinc/37/92/17/590379217.db2.gz ASALIMNTWUQDPB-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1O ZINC000041014124 636951322 /nfs/dbraw/zinc/95/13/22/636951322.db2.gz XPRVGRJUPIZNFH-SECBINFHSA-N 1 2 217.272 1.966 20 10 BDCDLO OCC[NH2+]Cc1cccc(Cl)c1O ZINC000158471915 643078809 /nfs/dbraw/zinc/07/88/09/643078809.db2.gz PKGAICHJFFEZAB-UHFFFAOYSA-N 1 2 201.653 1.128 20 10 BDCDLO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000389901571 711097589 /nfs/dbraw/zinc/09/75/89/711097589.db2.gz CPEIBLMONVUSNY-ZCFIWIBFSA-N 1 2 245.225 1.864 20 10 BDCDLO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C ZINC000708481109 711958640 /nfs/dbraw/zinc/95/86/40/711958640.db2.gz OGZGCFVJOUUTII-QMMMGPOBSA-N 1 2 244.285 1.710 20 10 BDCDLO COCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000703459569 712076114 /nfs/dbraw/zinc/07/61/14/712076114.db2.gz QDIFRCKDPZZKJP-UHFFFAOYSA-N 1 2 231.242 1.749 20 10 BDCDLO COCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000703459569 712076116 /nfs/dbraw/zinc/07/61/16/712076116.db2.gz QDIFRCKDPZZKJP-UHFFFAOYSA-N 1 2 231.242 1.749 20 10 BDCDLO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487006 712210995 /nfs/dbraw/zinc/21/09/95/712210995.db2.gz UVOKSGYXNQJEJU-SSDOTTSWSA-N 1 2 245.269 1.919 20 10 BDCDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140582992 959004818 /nfs/dbraw/zinc/00/48/18/959004818.db2.gz SJDDHZCUKIPJNP-JVXZTZIISA-N 1 2 243.253 1.483 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001140582992 959004840 /nfs/dbraw/zinc/00/48/40/959004840.db2.gz SJDDHZCUKIPJNP-JVXZTZIISA-N 1 2 243.253 1.483 20 10 BDCDLO Oc1ccc(O)c(C[N@@H+]2CCC23COC3)c1 ZINC001141159218 960416467 /nfs/dbraw/zinc/41/64/67/960416467.db2.gz CJJWWYQJFMPWNG-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO Oc1ccc(O)c(C[N@H+]2CCC23COC3)c1 ZINC001141159218 960416480 /nfs/dbraw/zinc/41/64/80/960416480.db2.gz CJJWWYQJFMPWNG-UHFFFAOYSA-N 1 2 221.256 1.073 20 10 BDCDLO CC(=O)OC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140620918 960465831 /nfs/dbraw/zinc/46/58/31/960465831.db2.gz HFAHNVXYXPGGOW-UHFFFAOYSA-N 1 2 235.283 1.448 20 10 BDCDLO Oc1ccc(C[NH+]2CC(C(F)F)C2)cc1O ZINC001203884575 966810158 /nfs/dbraw/zinc/81/01/58/966810158.db2.gz VEEGCEVFVHULHR-UHFFFAOYSA-N 1 2 229.226 1.795 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001204277253 966959331 /nfs/dbraw/zinc/95/93/31/966959331.db2.gz ALYXSTQCPMFVSO-CMPLNLGQSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001204277253 966959340 /nfs/dbraw/zinc/95/93/40/966959340.db2.gz ALYXSTQCPMFVSO-CMPLNLGQSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1ccon1)CC2 ZINC001209567374 969549361 /nfs/dbraw/zinc/54/93/61/969549361.db2.gz HSPBASDGKBQNRS-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1ccon1)CC2 ZINC001209567374 969549366 /nfs/dbraw/zinc/54/93/66/969549366.db2.gz HSPBASDGKBQNRS-UHFFFAOYSA-N 1 2 230.267 1.939 20 10 BDCDLO C[N@H+](Cc1cccc(Cl)c1O)C1COC1 ZINC001231911417 977798920 /nfs/dbraw/zinc/79/89/20/977798920.db2.gz DSDXAUZJGOPKKR-UHFFFAOYSA-N 1 2 227.691 1.876 20 10 BDCDLO C[N@@H+](Cc1cccc(Cl)c1O)C1COC1 ZINC001231911417 977798925 /nfs/dbraw/zinc/79/89/25/977798925.db2.gz DSDXAUZJGOPKKR-UHFFFAOYSA-N 1 2 227.691 1.876 20 10 BDCDLO C[N@@H+](Cc1ccccc1O)Cc1ncc(F)cn1 ZINC001235015838 978952697 /nfs/dbraw/zinc/95/26/97/978952697.db2.gz GQUUJFJEINKFNP-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[N@H+](Cc1ccccc1O)Cc1ncc(F)cn1 ZINC001235015838 978952699 /nfs/dbraw/zinc/95/26/99/978952699.db2.gz GQUUJFJEINKFNP-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138122458 984801610 /nfs/dbraw/zinc/80/16/10/984801610.db2.gz GSKGMMWCDPYUFY-SECBINFHSA-N 1 2 237.274 1.942 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138122458 984801612 /nfs/dbraw/zinc/80/16/12/984801612.db2.gz GSKGMMWCDPYUFY-SECBINFHSA-N 1 2 237.274 1.942 20 10 BDCDLO CC(C)OC(=O)C[N@H+](C)Cc1ccccc1O ZINC001322868440 988396676 /nfs/dbraw/zinc/39/66/76/988396676.db2.gz HCGJWRSFGWLVRU-UHFFFAOYSA-N 1 2 237.299 1.776 20 10 BDCDLO CC(C)OC(=O)C[N@@H+](C)Cc1ccccc1O ZINC001322868440 988396695 /nfs/dbraw/zinc/39/66/95/988396695.db2.gz HCGJWRSFGWLVRU-UHFFFAOYSA-N 1 2 237.299 1.776 20 10 BDCDLO C[N@@H+](Cc1cc(F)ccc1O)Cc1ncccn1 ZINC001140057793 991506928 /nfs/dbraw/zinc/50/69/28/991506928.db2.gz MPUVZQBCLXSKFY-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[N@H+](Cc1cc(F)ccc1O)Cc1ncccn1 ZINC001140057793 991506937 /nfs/dbraw/zinc/50/69/37/991506937.db2.gz MPUVZQBCLXSKFY-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO Oc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140337812 991610597 /nfs/dbraw/zinc/61/05/97/991610597.db2.gz GQONWDISCAMONQ-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140337812 991610599 /nfs/dbraw/zinc/61/05/99/991610599.db2.gz GQONWDISCAMONQ-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO Cc1cc(O)c(C[NH2+][C@]2(C)CCOC2=O)cc1C ZINC000289724953 178197824 /nfs/dbraw/zinc/19/78/24/178197824.db2.gz GGSRHVYKDSQHRN-CQSZACIVSA-N 1 2 249.310 1.804 20 10 BDCDLO CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000138236110 345760657 /nfs/dbraw/zinc/76/06/57/345760657.db2.gz OYNGSISGRNZMAX-UHFFFAOYSA-N 1 2 238.306 1.669 20 10 BDCDLO OCC(F)(F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000183892410 183034274 /nfs/dbraw/zinc/03/42/74/183034274.db2.gz DIPNJTWNXKDGFG-UHFFFAOYSA-N 1 2 243.253 1.339 20 10 BDCDLO C[C@]1([NH2+]Cc2ccccc2O)CCOC1=O ZINC000289746927 385357369 /nfs/dbraw/zinc/35/73/69/385357369.db2.gz HYWXJBLVMBEBBS-LBPRGKRZSA-N 1 2 221.256 1.187 20 10 BDCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366564019 385637225 /nfs/dbraw/zinc/63/72/25/385637225.db2.gz ZCKASOQLNOSZGD-WCQYABFASA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366564019 385637229 /nfs/dbraw/zinc/63/72/29/385637229.db2.gz ZCKASOQLNOSZGD-WCQYABFASA-N 1 2 249.310 1.764 20 10 BDCDLO CC[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000162736144 388252438 /nfs/dbraw/zinc/25/24/38/388252438.db2.gz FJMVWYLFCNOFOC-SECBINFHSA-N 1 2 229.707 1.906 20 10 BDCDLO C[C@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000162830033 397958824 /nfs/dbraw/zinc/95/88/24/397958824.db2.gz ACCIFPRLKQTICL-QMMMGPOBSA-N 1 2 229.707 1.764 20 10 BDCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc[nH]2)c1 ZINC000037919247 175159783 /nfs/dbraw/zinc/15/97/83/175159783.db2.gz QIUBJTRTLFSIIE-MRVPVSSYSA-N 1 2 248.286 1.370 20 10 BDCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1 ZINC000294926027 177263254 /nfs/dbraw/zinc/26/32/54/177263254.db2.gz FXYMIVCJIJGTAI-NSHDSACASA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1 ZINC000294926027 177263255 /nfs/dbraw/zinc/26/32/55/177263255.db2.gz FXYMIVCJIJGTAI-NSHDSACASA-N 1 2 247.342 1.073 20 10 BDCDLO OC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000897357588 583936351 /nfs/dbraw/zinc/93/63/51/583936351.db2.gz LBBSFZWOKANWNP-CZMCAQCFSA-N 1 2 241.718 1.906 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187868 584093925 /nfs/dbraw/zinc/09/39/25/584093925.db2.gz MKSNVMUEYZAPJJ-PWSUYJOCSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187868 584093928 /nfs/dbraw/zinc/09/39/28/584093928.db2.gz MKSNVMUEYZAPJJ-PWSUYJOCSA-N 1 2 243.253 1.436 20 10 BDCDLO C[N@H+](Cc1cc[nH]n1)Cc1cc(F)ccc1O ZINC000779015090 585744015 /nfs/dbraw/zinc/74/40/15/585744015.db2.gz MTIVLVDFXFWOPW-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(F)ccc1O ZINC000779015090 585744016 /nfs/dbraw/zinc/74/40/16/585744016.db2.gz MTIVLVDFXFWOPW-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809745046 586516514 /nfs/dbraw/zinc/51/65/14/586516514.db2.gz CNZDUMXQJULCOH-SSDOTTSWSA-N 1 2 247.697 1.997 20 10 BDCDLO C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809745046 586516515 /nfs/dbraw/zinc/51/65/15/586516515.db2.gz CNZDUMXQJULCOH-SSDOTTSWSA-N 1 2 247.697 1.997 20 10 BDCDLO COC1(C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000813332367 586600328 /nfs/dbraw/zinc/60/03/28/586600328.db2.gz XABVGZDLXCAVBV-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO C[NH2+]CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953871 586849089 /nfs/dbraw/zinc/84/90/89/586849089.db2.gz VOZGGIFPNRLIQY-QMMMGPOBSA-N 1 2 239.275 1.170 20 10 BDCDLO C[C@@H](NCC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817954135 586849407 /nfs/dbraw/zinc/84/94/07/586849407.db2.gz VGBWOEQFDQRIMN-SECBINFHSA-N 1 2 238.306 1.934 20 10 BDCDLO OC/C=C/C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826937652 587366096 /nfs/dbraw/zinc/36/60/96/587366096.db2.gz REPYYPGUEMUBTE-OWOJBTEDSA-N 1 2 245.681 1.823 20 10 BDCDLO C[C@@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876792799 590241889 /nfs/dbraw/zinc/24/18/89/590241889.db2.gz ZMNGHOIHRPKWES-GFCCVEGCSA-N 1 2 243.253 1.627 20 10 BDCDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876792799 590241890 /nfs/dbraw/zinc/24/18/90/590241890.db2.gz ZMNGHOIHRPKWES-GFCCVEGCSA-N 1 2 243.253 1.627 20 10 BDCDLO C[C@H]([NH2+]CCCO)c1cc(F)cc(F)c1O ZINC000134904215 591957506 /nfs/dbraw/zinc/95/75/06/591957506.db2.gz CPBSONISPXIQSF-ZETCQYMHSA-N 1 2 231.242 1.703 20 10 BDCDLO NC(=O)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000191484433 641925036 /nfs/dbraw/zinc/92/50/36/641925036.db2.gz OCNTVJHJBYLANV-UHFFFAOYSA-N 1 2 240.690 1.153 20 10 BDCDLO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817980962 644995203 /nfs/dbraw/zinc/99/52/03/644995203.db2.gz YOMMZIUDLFVWSL-WCBMZHEXSA-N 1 2 226.295 1.919 20 10 BDCDLO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000389901570 711097673 /nfs/dbraw/zinc/09/76/73/711097673.db2.gz CPEIBLMONVUSNY-LURJTMIESA-N 1 2 245.225 1.864 20 10 BDCDLO Cn1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000389819322 711091450 /nfs/dbraw/zinc/09/14/50/711091450.db2.gz XWMATSWMRDJJJA-UHFFFAOYSA-N 1 2 244.298 1.040 20 10 BDCDLO Cc1c(O)ccc(C[NH+]2CCC(=O)CC2)c1O ZINC001140742551 960546823 /nfs/dbraw/zinc/54/68/23/960546823.db2.gz RPWVVYQXVRCHDX-UHFFFAOYSA-N 1 2 235.283 1.571 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747957 960554500 /nfs/dbraw/zinc/55/45/00/960554500.db2.gz PETIKQSSPBUMNQ-UHFFFAOYSA-N 1 2 239.271 1.011 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747957 960554519 /nfs/dbraw/zinc/55/45/19/960554519.db2.gz PETIKQSSPBUMNQ-UHFFFAOYSA-N 1 2 239.271 1.011 20 10 BDCDLO CCOC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141156219 960889718 /nfs/dbraw/zinc/88/97/18/960889718.db2.gz HIFJKYXMAJUMRV-UHFFFAOYSA-N 1 2 223.272 1.319 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156333 960891437 /nfs/dbraw/zinc/89/14/37/960891437.db2.gz JUYAQSRUALTNAR-SECBINFHSA-N 1 2 235.283 1.509 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156333 960891441 /nfs/dbraw/zinc/89/14/41/960891441.db2.gz JUYAQSRUALTNAR-SECBINFHSA-N 1 2 235.283 1.509 20 10 BDCDLO Oc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001141161798 960899836 /nfs/dbraw/zinc/89/98/36/960899836.db2.gz YPADRADBIIDMKL-PHIMTYICSA-N 1 2 221.256 1.071 20 10 BDCDLO Oc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001141161798 960899841 /nfs/dbraw/zinc/89/98/41/960899841.db2.gz YPADRADBIIDMKL-PHIMTYICSA-N 1 2 221.256 1.071 20 10 BDCDLO O=C1CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203877438 966805561 /nfs/dbraw/zinc/80/55/61/966805561.db2.gz GIWRENPIHVFORL-UHFFFAOYSA-N 1 2 235.283 1.653 20 10 BDCDLO O=C1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203877438 966805562 /nfs/dbraw/zinc/80/55/62/966805562.db2.gz GIWRENPIHVFORL-UHFFFAOYSA-N 1 2 235.283 1.653 20 10 BDCDLO Nc1ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)cc1 ZINC001206683929 968430923 /nfs/dbraw/zinc/43/09/23/968430923.db2.gz NPEXBEVKJQFPGU-NSHDSACASA-N 1 2 241.285 1.437 20 10 BDCDLO CN(Cc1c[nH+]cn1C)c1ccc(N)cc1 ZINC000401712630 970722929 /nfs/dbraw/zinc/72/29/29/970722929.db2.gz WQIKTXIDQCKWSK-UHFFFAOYSA-N 1 2 216.288 1.639 20 10 BDCDLO C[N@@H+](CCO)Cc1cc(F)cc(Cl)c1O ZINC001236257260 979475949 /nfs/dbraw/zinc/47/59/49/979475949.db2.gz XWOWMCXSWKEKKR-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO C[N@H+](CCO)Cc1cc(F)cc(Cl)c1O ZINC001236257260 979475946 /nfs/dbraw/zinc/47/59/46/979475946.db2.gz XWOWMCXSWKEKKR-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO CC[C@H]([NH3+])CN(C)Cc1c(F)ccc(F)c1O ZINC001236869877 979775233 /nfs/dbraw/zinc/77/52/33/979775233.db2.gz ZGUFOYFUCLXPTD-QMMMGPOBSA-N 1 2 244.285 1.840 20 10 BDCDLO CC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC001203561996 979792930 /nfs/dbraw/zinc/79/29/30/979792930.db2.gz AKZQYQMWGXGBDX-CYBMUJFWSA-N 1 2 235.283 1.182 20 10 BDCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC001203561996 979792948 /nfs/dbraw/zinc/79/29/48/979792948.db2.gz AKZQYQMWGXGBDX-CYBMUJFWSA-N 1 2 235.283 1.182 20 10 BDCDLO Cc1cc(F)cc(C[NH+]2CC(O)C2)c1O ZINC001238058823 980133134 /nfs/dbraw/zinc/13/31/34/980133134.db2.gz WPGVSVDEDNSQOV-UHFFFAOYSA-N 1 2 211.236 1.016 20 10 BDCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001238067952 980136747 /nfs/dbraw/zinc/13/67/47/980136747.db2.gz SPFAMFQFNLTHCU-NWDGAFQWSA-N 1 2 237.274 1.813 20 10 BDCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001238067952 980136753 /nfs/dbraw/zinc/13/67/53/980136753.db2.gz SPFAMFQFNLTHCU-NWDGAFQWSA-N 1 2 237.274 1.813 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831881 990855407 /nfs/dbraw/zinc/85/54/07/990855407.db2.gz QWHQGZAYJIXLIQ-IUCAKERBSA-N 1 2 243.253 1.436 20 10 BDCDLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)cccc1F ZINC001137831881 990855408 /nfs/dbraw/zinc/85/54/08/990855408.db2.gz QWHQGZAYJIXLIQ-IUCAKERBSA-N 1 2 243.253 1.436 20 10 BDCDLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138122576 990884879 /nfs/dbraw/zinc/88/48/79/990884879.db2.gz NSWITLIJWHOWDO-WDEREUQCSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1F ZINC001138122576 990884880 /nfs/dbraw/zinc/88/48/80/990884880.db2.gz NSWITLIJWHOWDO-WDEREUQCSA-N 1 2 243.253 1.700 20 10 BDCDLO CC[N@H+](Cc1cccc(F)c1O)C1COC1 ZINC001138128446 990887548 /nfs/dbraw/zinc/88/75/48/990887548.db2.gz KRNAMVSLDSDLMM-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CC[N@@H+](Cc1cccc(F)c1O)C1COC1 ZINC001138128446 990887550 /nfs/dbraw/zinc/88/75/50/990887550.db2.gz KRNAMVSLDSDLMM-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000133440092 384244110 /nfs/dbraw/zinc/24/41/10/384244110.db2.gz BWKNZHFROXTGFD-ZETCQYMHSA-N 1 2 215.680 1.516 20 10 BDCDLO COC[C@@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162865777 384699200 /nfs/dbraw/zinc/69/92/00/384699200.db2.gz LMRDFGHXEAVURD-VIFPVBQESA-N 1 2 245.706 1.143 20 10 BDCDLO C[N@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000284147973 385853779 /nfs/dbraw/zinc/85/37/79/385853779.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000284147973 385853781 /nfs/dbraw/zinc/85/37/81/385853781.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000284147973 385853783 /nfs/dbraw/zinc/85/37/83/385853783.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000284147973 385853792 /nfs/dbraw/zinc/85/37/92/385853792.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000284147973 385853797 /nfs/dbraw/zinc/85/37/97/385853797.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO C[N@@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000284147973 385853798 /nfs/dbraw/zinc/85/37/98/385853798.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 10 BDCDLO CCOC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000297497588 170337220 /nfs/dbraw/zinc/33/72/20/170337220.db2.gz UPXIUSXHMJROPW-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO COc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366545123 175259436 /nfs/dbraw/zinc/25/94/36/175259436.db2.gz NZJIBSVPSTYRFM-PWSUYJOCSA-N 1 2 235.283 1.374 20 10 BDCDLO COc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366545123 175259439 /nfs/dbraw/zinc/25/94/39/175259439.db2.gz NZJIBSVPSTYRFM-PWSUYJOCSA-N 1 2 235.283 1.374 20 10 BDCDLO C[NH2+]C[C@H](C)NCc1cc(Cl)cc(F)c1O ZINC000853248926 588728856 /nfs/dbraw/zinc/72/88/56/588728856.db2.gz LWPLZPMVZQXKGJ-ZETCQYMHSA-N 1 2 246.713 1.882 20 10 BDCDLO Cc1cccc(C[NH2+][C@H]2CCOC2=O)c1O ZINC000895801784 583730994 /nfs/dbraw/zinc/73/09/94/583730994.db2.gz LTJVACNPMZYZPM-JTQLQIEISA-N 1 2 221.256 1.106 20 10 BDCDLO C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)C[N@@H+]1C ZINC000775987309 585688671 /nfs/dbraw/zinc/68/86/71/585688671.db2.gz VKSQXHBMKHJWEF-NEPJUHHUSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)C[N@H+]1C ZINC000775987309 585688672 /nfs/dbraw/zinc/68/86/72/585688672.db2.gz VKSQXHBMKHJWEF-NEPJUHHUSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521803 585699905 /nfs/dbraw/zinc/69/99/05/585699905.db2.gz UNNVBAISOWFRPL-SSDOTTSWSA-N 1 2 247.697 1.997 20 10 BDCDLO C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521803 585699906 /nfs/dbraw/zinc/69/99/06/585699906.db2.gz UNNVBAISOWFRPL-SSDOTTSWSA-N 1 2 247.697 1.997 20 10 BDCDLO C[N@H+](Cc1ncc[nH]1)Cc1cc(F)ccc1O ZINC000813328450 586600553 /nfs/dbraw/zinc/60/05/53/586600553.db2.gz RCHJUCRIAXFWCV-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO C[N@@H+](Cc1ncc[nH]1)Cc1cc(F)ccc1O ZINC000813328450 586600554 /nfs/dbraw/zinc/60/05/54/586600554.db2.gz RCHJUCRIAXFWCV-UHFFFAOYSA-N 1 2 235.262 1.886 20 10 BDCDLO Oc1c(F)cccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841042617 587938784 /nfs/dbraw/zinc/93/87/84/587938784.db2.gz LTHOSMCSECAYGJ-SNVBAGLBSA-N 1 2 224.279 1.373 20 10 BDCDLO C[C@@H]([NH2+]C/C=C\CO)c1cc(F)cc(F)c1O ZINC000850510713 588555196 /nfs/dbraw/zinc/55/51/96/588555196.db2.gz ZSDCAGVEYXHOSJ-YAJNLLPGSA-N 1 2 243.253 1.870 20 10 BDCDLO C[C@@H](O)C1([NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000864053417 589335842 /nfs/dbraw/zinc/33/58/42/589335842.db2.gz WTDULXJMTIJGQU-SSDOTTSWSA-N 1 2 243.253 1.673 20 10 BDCDLO Cc1cccc(C[N@@H+]2CCn3ccnc3C2)c1O ZINC000124584994 590059877 /nfs/dbraw/zinc/05/98/77/590059877.db2.gz COXSXIWVCYLSDE-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1cccc(C[N@H+]2CCn3ccnc3C2)c1O ZINC000124584994 590059878 /nfs/dbraw/zinc/05/98/78/590059878.db2.gz COXSXIWVCYLSDE-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO CCC[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876538069 590211533 /nfs/dbraw/zinc/21/15/33/590211533.db2.gz KJWYXNYFJAFFLH-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO CCC[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876538069 590211535 /nfs/dbraw/zinc/21/15/35/590211535.db2.gz KJWYXNYFJAFFLH-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO C[C@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876792800 590242039 /nfs/dbraw/zinc/24/20/39/590242039.db2.gz ZMNGHOIHRPKWES-LBPRGKRZSA-N 1 2 243.253 1.627 20 10 BDCDLO C[C@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876792800 590242041 /nfs/dbraw/zinc/24/20/41/590242041.db2.gz ZMNGHOIHRPKWES-LBPRGKRZSA-N 1 2 243.253 1.627 20 10 BDCDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877551296 590355038 /nfs/dbraw/zinc/35/50/38/590355038.db2.gz YTTIPAOTBIZNKZ-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877551296 590355041 /nfs/dbraw/zinc/35/50/41/590355041.db2.gz YTTIPAOTBIZNKZ-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO Cc1cccc(O)c1C[NH2+]Cc1c[nH]nn1 ZINC000877649282 590383590 /nfs/dbraw/zinc/38/35/90/590383590.db2.gz SKJUNNCLPVVCLF-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO Cc1cccc(O)c1C[NH2+]Cc1cn[nH]n1 ZINC000877649282 590383592 /nfs/dbraw/zinc/38/35/92/590383592.db2.gz SKJUNNCLPVVCLF-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO Cc1cccc(C[NH+]2CCS(=O)CC2)c1O ZINC000162818436 633040414 /nfs/dbraw/zinc/04/04/14/633040414.db2.gz AQHMZLZPUFKXBL-UHFFFAOYSA-N 1 2 239.340 1.265 20 10 BDCDLO Nc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000911659862 639692654 /nfs/dbraw/zinc/69/26/54/639692654.db2.gz FWVWGDRLKXNHAV-QMMMGPOBSA-N 1 2 229.230 1.190 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000171938134 641023954 /nfs/dbraw/zinc/02/39/54/641023954.db2.gz KVNYTPXKHDWSCF-UHFFFAOYSA-N 1 2 243.690 1.650 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000171938134 641023959 /nfs/dbraw/zinc/02/39/59/641023959.db2.gz KVNYTPXKHDWSCF-UHFFFAOYSA-N 1 2 243.690 1.650 20 10 BDCDLO OC/C=C\C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708420545 712193820 /nfs/dbraw/zinc/19/38/20/712193820.db2.gz JMFXVHOZFUSJQT-UPHRSURJSA-N 1 2 229.226 1.309 20 10 BDCDLO COc1ccc(C[NH2+]Cc2cnn(C)n2)cc1C ZINC000389813381 711089519 /nfs/dbraw/zinc/08/95/19/711089519.db2.gz KIWVZUYRFZFNOS-UHFFFAOYSA-N 1 2 246.314 1.422 20 10 BDCDLO COCC1C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233331677 978561079 /nfs/dbraw/zinc/56/10/79/978561079.db2.gz GDBMHDSPIIDINF-UHFFFAOYSA-N 1 2 243.253 1.749 20 10 BDCDLO O=C1NCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000693868220 959458137 /nfs/dbraw/zinc/45/81/37/959458137.db2.gz AEWCDGKGVXEMHZ-VIFPVBQESA-N 1 2 240.690 1.024 20 10 BDCDLO CC[N@H+](Cc1cc(F)c(F)cc1O)C1COC1 ZINC001142524681 961481926 /nfs/dbraw/zinc/48/19/26/961481926.db2.gz GLLXTMBTQIFORO-UHFFFAOYSA-N 1 2 243.253 1.891 20 10 BDCDLO CC[N@@H+](Cc1cc(F)c(F)cc1O)C1COC1 ZINC001142524681 961481945 /nfs/dbraw/zinc/48/19/45/961481945.db2.gz GLLXTMBTQIFORO-UHFFFAOYSA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142534590 964374434 /nfs/dbraw/zinc/37/44/34/964374434.db2.gz OXXSUFGOUXPMLT-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@@H]1CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142534590 964374442 /nfs/dbraw/zinc/37/44/42/964374442.db2.gz OXXSUFGOUXPMLT-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142534589 964374609 /nfs/dbraw/zinc/37/46/09/964374609.db2.gz OXXSUFGOUXPMLT-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@H]1CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142534589 964374621 /nfs/dbraw/zinc/37/46/21/964374621.db2.gz OXXSUFGOUXPMLT-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO CCN(Cc1ccc(O)c(O)c1)C1C[NH+](C)C1 ZINC001203881180 966810018 /nfs/dbraw/zinc/81/00/18/966810018.db2.gz MQQYQVITUQLBJY-UHFFFAOYSA-N 1 2 236.315 1.234 20 10 BDCDLO C[N@H+](Cc1ccccc1O)Cc1cnccc1N ZINC001209737632 969598238 /nfs/dbraw/zinc/59/82/38/969598238.db2.gz QYWKTXCCJAKTMA-UHFFFAOYSA-N 1 2 243.310 1.832 20 10 BDCDLO C[N@@H+](Cc1ccccc1O)Cc1cnccc1N ZINC001209737632 969598244 /nfs/dbraw/zinc/59/82/44/969598244.db2.gz QYWKTXCCJAKTMA-UHFFFAOYSA-N 1 2 243.310 1.832 20 10 BDCDLO CCN1CCc2cc(OC3C[NH+](C)C3)ccc21 ZINC001233608783 978647406 /nfs/dbraw/zinc/64/74/06/978647406.db2.gz ZSIINLBFUJYZRQ-UHFFFAOYSA-N 1 2 232.327 1.762 20 10 BDCDLO Cc1cc(F)cc(C[NH+]2CC3(CCO3)C2)c1O ZINC001238065858 980136667 /nfs/dbraw/zinc/13/66/67/980136667.db2.gz CCFUCRHVOFTIAU-UHFFFAOYSA-N 1 2 237.274 1.814 20 10 BDCDLO COc1ccc(C[NH2+]CC(F)F)c(O)c1OC ZINC001352055763 982448354 /nfs/dbraw/zinc/44/83/54/982448354.db2.gz XQRLDNYHLGJCLG-UHFFFAOYSA-N 1 2 247.241 1.764 20 10 BDCDLO Cc1cccc(CN2CC3(CC[N@H+]3C)C2)c1O ZINC001276080574 984811892 /nfs/dbraw/zinc/81/18/92/984811892.db2.gz QSGQRFHYTCFIPR-UHFFFAOYSA-N 1 2 232.327 1.591 20 10 BDCDLO Cc1cccc(CN2CC3(CC[N@@H+]3C)C2)c1O ZINC001276080574 984811894 /nfs/dbraw/zinc/81/18/94/984811894.db2.gz QSGQRFHYTCFIPR-UHFFFAOYSA-N 1 2 232.327 1.591 20 10 BDCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1cnn[nH]1 ZINC001462452998 986397870 /nfs/dbraw/zinc/39/78/70/986397870.db2.gz KMQOZZRVFBFDBP-UHFFFAOYSA-N 1 2 240.213 1.078 20 10 BDCDLO Oc1c(F)cccc1C[NH+]1CC2(COC2)C1 ZINC001138122381 990883892 /nfs/dbraw/zinc/88/38/92/990883892.db2.gz ALOTYWDQJZEBMI-UHFFFAOYSA-N 1 2 223.247 1.364 20 10 BDCDLO Cc1c[nH]c(C[N@@H+]2CCc3cccc(O)c3C2)n1 ZINC001138938555 991110706 /nfs/dbraw/zinc/11/07/06/991110706.db2.gz WPJZAWZHOJJWGJ-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1c[nH]c(C[N@H+]2CCc3cccc(O)c3C2)n1 ZINC001138938555 991110709 /nfs/dbraw/zinc/11/07/09/991110709.db2.gz WPJZAWZHOJJWGJ-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1cc(O)c(C[NH2+][C@@]2(C)CCOC2=O)cc1C ZINC000289724948 178197919 /nfs/dbraw/zinc/19/79/19/178197919.db2.gz GGSRHVYKDSQHRN-AWEZNQCLSA-N 1 2 249.310 1.804 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366546743 188369681 /nfs/dbraw/zinc/36/96/81/188369681.db2.gz VZKVTXYUKLGDRW-WDEREUQCSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366546743 188369682 /nfs/dbraw/zinc/36/96/82/188369682.db2.gz VZKVTXYUKLGDRW-WDEREUQCSA-N 1 2 223.247 1.504 20 10 BDCDLO OCC(F)(F)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296387347 183034727 /nfs/dbraw/zinc/03/47/27/183034727.db2.gz JOOPAZHXBPZLBI-VIFPVBQESA-N 1 2 243.253 1.597 20 10 BDCDLO CC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000132478849 384189955 /nfs/dbraw/zinc/18/99/55/384189955.db2.gz IQTBTNGUIVFBDN-UHFFFAOYSA-N 1 2 229.707 1.860 20 10 BDCDLO CC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000132478849 384189958 /nfs/dbraw/zinc/18/99/58/384189958.db2.gz IQTBTNGUIVFBDN-UHFFFAOYSA-N 1 2 229.707 1.860 20 10 BDCDLO C[N@H+](Cc1csnn1)Cc1ccccc1O ZINC000120066068 384326033 /nfs/dbraw/zinc/32/60/33/384326033.db2.gz HUXGALATYXRYOK-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO C[N@@H+](Cc1csnn1)Cc1ccccc1O ZINC000120066068 384326037 /nfs/dbraw/zinc/32/60/37/384326037.db2.gz HUXGALATYXRYOK-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2nncn2C)c1 ZINC000290257112 384631432 /nfs/dbraw/zinc/63/14/32/384631432.db2.gz WFOWFASWAHJTNO-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1ccc(O)c(C[N@H+](C)Cc2nncn2C)c1 ZINC000290257112 384631443 /nfs/dbraw/zinc/63/14/43/384631443.db2.gz WFOWFASWAHJTNO-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)c(O)c1 ZINC000186214555 384829641 /nfs/dbraw/zinc/82/96/41/384829641.db2.gz QFLBBUNOBHICRC-JTQLQIEISA-N 1 2 246.314 1.680 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2n[nH]cc21 ZINC000492813591 385439656 /nfs/dbraw/zinc/43/96/56/385439656.db2.gz PTZUZWVHZHZHED-ARJAWSKDSA-N 1 2 243.270 1.125 20 10 BDCDLO CCOc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366564020 385636762 /nfs/dbraw/zinc/63/67/62/385636762.db2.gz ZCKASOQLNOSZGD-YPMHNXCESA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366564020 385636765 /nfs/dbraw/zinc/63/67/65/385636765.db2.gz ZCKASOQLNOSZGD-YPMHNXCESA-N 1 2 249.310 1.764 20 10 BDCDLO C[C@@H]([NH2+][C@@H](C)CO)c1cc([N+](=O)[O-])ccc1O ZINC000273613631 386016683 /nfs/dbraw/zinc/01/66/83/386016683.db2.gz WWHNQNDCKOLWAB-JGVFFNPUSA-N 1 2 240.259 1.332 20 10 BDCDLO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1O ZINC000295987799 386710476 /nfs/dbraw/zinc/71/04/76/386710476.db2.gz PHEVGJFSEAUYGX-PRJMDXOYSA-N 1 2 243.253 1.844 20 10 BDCDLO Cn1ccnc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000230935697 387271370 /nfs/dbraw/zinc/27/13/70/387271370.db2.gz XQLOPQVQTLUASP-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO Cn1ccnc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000230935697 387271374 /nfs/dbraw/zinc/27/13/74/387271374.db2.gz XQLOPQVQTLUASP-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1ccccc1O ZINC000189663412 176041041 /nfs/dbraw/zinc/04/10/41/176041041.db2.gz NDQDJBBAFXEJKK-VIFPVBQESA-N 1 2 247.302 1.109 20 10 BDCDLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1ccccc1O ZINC000189663412 176041042 /nfs/dbraw/zinc/04/10/42/176041042.db2.gz NDQDJBBAFXEJKK-VIFPVBQESA-N 1 2 247.302 1.109 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccncc21 ZINC000492902309 226079695 /nfs/dbraw/zinc/07/96/95/226079695.db2.gz QUEZAOBLVWQFAN-OWOJBTEDSA-N 1 2 240.266 1.407 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1COC1 ZINC000529675931 324376121 /nfs/dbraw/zinc/37/61/21/324376121.db2.gz SHIUAIAVDZXMGL-UHFFFAOYSA-N 1 2 245.681 1.921 20 10 BDCDLO CC[N@H+](CCCO)Cc1cc(F)cc(F)c1O ZINC000894054325 583289982 /nfs/dbraw/zinc/28/99/82/583289982.db2.gz LPZWCXUMARHCRY-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO CC[N@@H+](CCCO)Cc1cc(F)cc(F)c1O ZINC000894054325 583289983 /nfs/dbraw/zinc/28/99/83/583289983.db2.gz LPZWCXUMARHCRY-UHFFFAOYSA-N 1 2 245.269 1.875 20 10 BDCDLO C[C@@H]([NH2+][C@@H]1CCOC1=O)c1ccccc1O ZINC000019876314 583633365 /nfs/dbraw/zinc/63/33/65/583633365.db2.gz UVVJSESFQIDRSH-PSASIEDQSA-N 1 2 221.256 1.358 20 10 BDCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CNOC1 ZINC000904424640 584881175 /nfs/dbraw/zinc/88/11/75/584881175.db2.gz WYHFUGZPRMWMRQ-ZCFIWIBFSA-N 1 2 246.669 1.178 20 10 BDCDLO Cn1cc[nH+]c1CNC(=O)C1=CC(=O)CS1 ZINC000732286055 584935915 /nfs/dbraw/zinc/93/59/15/584935915.db2.gz OACSEPJTVCYNRL-UHFFFAOYSA-N 1 2 237.284 1.117 20 10 BDCDLO COc1cccc(O)c1C[NH2+]CC(F)F ZINC000839092100 585090608 /nfs/dbraw/zinc/09/06/08/585090608.db2.gz RJZYLQVVSLSKDW-UHFFFAOYSA-N 1 2 217.215 1.756 20 10 BDCDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1O ZINC000775987311 585688942 /nfs/dbraw/zinc/68/89/42/585688942.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccccc1O ZINC000775987311 585688943 /nfs/dbraw/zinc/68/89/43/585688943.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 1 2 234.343 1.917 20 10 BDCDLO Nc1ccc(C=C2SC(=S)NC2=O)c[nH+]1 ZINC000821022487 587089129 /nfs/dbraw/zinc/08/91/29/587089129.db2.gz RMKQHDRXVHUSRT-ZZXKWVIFSA-N 1 2 237.309 1.153 20 10 BDCDLO C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841060208 587941995 /nfs/dbraw/zinc/94/19/95/587941995.db2.gz UJBGNCBHADCKJF-SECBINFHSA-N 1 2 225.311 1.329 20 10 BDCDLO C[N@H+](Cc1cnon1)Cc1ccccc1O ZINC000851840228 588634437 /nfs/dbraw/zinc/63/44/37/588634437.db2.gz CPDGRJBHSKQQJS-UHFFFAOYSA-N 1 2 219.244 1.407 20 10 BDCDLO C[N@@H+](Cc1cnon1)Cc1ccccc1O ZINC000851840228 588634438 /nfs/dbraw/zinc/63/44/38/588634438.db2.gz CPDGRJBHSKQQJS-UHFFFAOYSA-N 1 2 219.244 1.407 20 10 BDCDLO Cc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)c(O)c1 ZINC000876760259 590238628 /nfs/dbraw/zinc/23/86/28/590238628.db2.gz PIEPERCVXJKVHB-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1ccc(C[N@H+]2CCc3cn[nH]c3C2)c(O)c1 ZINC000876760259 590238630 /nfs/dbraw/zinc/23/86/30/590238630.db2.gz PIEPERCVXJKVHB-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1ccc(C[NH2+]CC(F)(F)CO)c(O)c1 ZINC000877392957 590322167 /nfs/dbraw/zinc/32/21/67/590322167.db2.gz IZKKZSBSMKDPNW-UHFFFAOYSA-N 1 2 231.242 1.418 20 10 BDCDLO Cc1cccc(O)c1C[NH2+]CC(F)(F)CO ZINC000877391349 590322213 /nfs/dbraw/zinc/32/22/13/590322213.db2.gz CDJQFDJPRHSSTM-UHFFFAOYSA-N 1 2 231.242 1.418 20 10 BDCDLO Cc1ccc(C[N@@H+]2Cc3cnn(C)c3C2)c(O)c1 ZINC000877632599 590379055 /nfs/dbraw/zinc/37/90/55/590379055.db2.gz GULPNMPXCVLOBD-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1ccc(C[N@H+]2Cc3cnn(C)c3C2)c(O)c1 ZINC000877632599 590379058 /nfs/dbraw/zinc/37/90/58/590379058.db2.gz GULPNMPXCVLOBD-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO C[C@@H]([NH2+]C[C@H](C)O)c1cc(F)cc(F)c1O ZINC000134899880 591957974 /nfs/dbraw/zinc/95/79/74/591957974.db2.gz OCEFYCUWARQNOH-NKWVEPMBSA-N 1 2 231.242 1.702 20 10 BDCDLO C[N@H+](Cc1ccc(F)c(F)c1O)[C@H]1CCOC1 ZINC000703489204 712077588 /nfs/dbraw/zinc/07/75/88/712077588.db2.gz FBWFJXAHXVHPMC-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)[C@H]1CCOC1 ZINC000703489204 712077590 /nfs/dbraw/zinc/07/75/90/712077590.db2.gz FBWFJXAHXVHPMC-VIFPVBQESA-N 1 2 243.253 1.891 20 10 BDCDLO CC[C@@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708486927 712211189 /nfs/dbraw/zinc/21/11/89/712211189.db2.gz STFJFACSQXDOPT-LBPRGKRZSA-N 1 2 245.269 1.921 20 10 BDCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141160214 960895963 /nfs/dbraw/zinc/89/59/63/960895963.db2.gz UGHSPCZQMHLTID-QMMMGPOBSA-N 1 2 239.271 1.091 20 10 BDCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141160214 960895966 /nfs/dbraw/zinc/89/59/66/960895966.db2.gz UGHSPCZQMHLTID-QMMMGPOBSA-N 1 2 239.271 1.091 20 10 BDCDLO COCC[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233331743 978564247 /nfs/dbraw/zinc/56/42/47/978564247.db2.gz JFWWZKXEUQBFEH-UHFFFAOYSA-N 1 2 231.242 1.749 20 10 BDCDLO COCC[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233331743 978564255 /nfs/dbraw/zinc/56/42/55/978564255.db2.gz JFWWZKXEUQBFEH-UHFFFAOYSA-N 1 2 231.242 1.749 20 10 BDCDLO Cc1cc(F)cc(C[NH+]2CCOCC2)c1O ZINC001238057754 980135220 /nfs/dbraw/zinc/13/52/20/980135220.db2.gz MJDMWTISBGDVIE-UHFFFAOYSA-N 1 2 225.263 1.672 20 10 BDCDLO C[N@H+](Cc1cc(F)c(F)cc1O)C1COC1 ZINC001142524721 961476041 /nfs/dbraw/zinc/47/60/41/961476041.db2.gz ICEWXSXUWLOOIZ-UHFFFAOYSA-N 1 2 229.226 1.501 20 10 BDCDLO C[N@@H+](Cc1cc(F)c(F)cc1O)C1COC1 ZINC001142524721 961476054 /nfs/dbraw/zinc/47/60/54/961476054.db2.gz ICEWXSXUWLOOIZ-UHFFFAOYSA-N 1 2 229.226 1.501 20 10 BDCDLO COCC1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142509035 964344528 /nfs/dbraw/zinc/34/45/28/964344528.db2.gz UTIDENCFUXISEX-UHFFFAOYSA-N 1 2 243.253 1.749 20 10 BDCDLO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1cncnc1 ZINC001203884019 966810393 /nfs/dbraw/zinc/81/03/93/966810393.db2.gz PKCGGDLJAAHYHI-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO C[N@H+](Cc1ccc(O)c(O)c1)Cc1cncnc1 ZINC001203884019 966810398 /nfs/dbraw/zinc/81/03/98/966810398.db2.gz PKCGGDLJAAHYHI-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1O ZINC001203880821 966810763 /nfs/dbraw/zinc/81/07/63/966810763.db2.gz BKLIOKOLLUACHD-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO CC(=O)OC1C[NH+](Cc2cccc(C)c2O)C1 ZINC001231592079 977642797 /nfs/dbraw/zinc/64/27/97/977642797.db2.gz GOHSCYQAMZPSKA-UHFFFAOYSA-N 1 2 235.283 1.448 20 10 BDCDLO CC1(C)C[NH+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010339 978408283 /nfs/dbraw/zinc/40/82/83/978408283.db2.gz OVWAQBVWCZIWJP-UHFFFAOYSA-N 1 2 223.272 1.645 20 10 BDCDLO OC[C@]1(F)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831640 990853335 /nfs/dbraw/zinc/85/33/35/990853335.db2.gz IGAMWPLOOFLYTG-LBPRGKRZSA-N 1 2 243.253 1.438 20 10 BDCDLO OC[C@]1(F)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831640 990853338 /nfs/dbraw/zinc/85/33/38/990853338.db2.gz IGAMWPLOOFLYTG-LBPRGKRZSA-N 1 2 243.253 1.438 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832757 990858013 /nfs/dbraw/zinc/85/80/13/990858013.db2.gz GWNUPUWWRLILGG-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832757 990858018 /nfs/dbraw/zinc/85/80/18/990858018.db2.gz GWNUPUWWRLILGG-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO Cc1ccc(C)c(C[N@@H+]2CCC(=O)C2)c1O ZINC001140182581 991555176 /nfs/dbraw/zinc/55/51/76/991555176.db2.gz WHHBHAXTPSMKGG-UHFFFAOYSA-N 1 2 219.284 1.784 20 10 BDCDLO Cc1ccc(C)c(C[N@H+]2CCC(=O)C2)c1O ZINC001140182581 991555187 /nfs/dbraw/zinc/55/51/87/991555187.db2.gz WHHBHAXTPSMKGG-UHFFFAOYSA-N 1 2 219.284 1.784 20 10 BDCDLO C[C@H](CO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294423418 398261989 /nfs/dbraw/zinc/26/19/89/398261989.db2.gz WYQHXENVMCTBAJ-ZETCQYMHSA-N 1 2 247.697 1.903 20 10 BDCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368333492 384686086 /nfs/dbraw/zinc/68/60/86/384686086.db2.gz TYXGOUFPDPZTBA-KGLIPLIRSA-N 1 2 232.327 1.726 20 10 BDCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368333492 384686094 /nfs/dbraw/zinc/68/60/94/384686094.db2.gz TYXGOUFPDPZTBA-KGLIPLIRSA-N 1 2 232.327 1.726 20 10 BDCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368333493 384687909 /nfs/dbraw/zinc/68/79/09/384687909.db2.gz TYXGOUFPDPZTBA-UONOGXRCSA-N 1 2 232.327 1.726 20 10 BDCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368333493 384687914 /nfs/dbraw/zinc/68/79/14/384687914.db2.gz TYXGOUFPDPZTBA-UONOGXRCSA-N 1 2 232.327 1.726 20 10 BDCDLO CN(C)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000160235334 387071939 /nfs/dbraw/zinc/07/19/39/387071939.db2.gz KTYFXCKOGUAVIH-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO CN(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000160235334 387071945 /nfs/dbraw/zinc/07/19/45/387071945.db2.gz KTYFXCKOGUAVIH-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO C[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000165409654 173087671 /nfs/dbraw/zinc/08/76/71/173087671.db2.gz XKPIOAVKAFPAQM-UHFFFAOYSA-N 1 2 224.279 1.279 20 10 BDCDLO CN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000165409654 173087675 /nfs/dbraw/zinc/08/76/75/173087675.db2.gz XKPIOAVKAFPAQM-UHFFFAOYSA-N 1 2 224.279 1.279 20 10 BDCDLO COC(=O)C[N@H+](Cc1cccc(C)c1O)C1CC1 ZINC000271749233 173583862 /nfs/dbraw/zinc/58/38/62/173583862.db2.gz BLXIFOLLFZICCR-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)C[N@@H+](Cc1cccc(C)c1O)C1CC1 ZINC000271749233 173583863 /nfs/dbraw/zinc/58/38/63/173583863.db2.gz BLXIFOLLFZICCR-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO C[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187738009 176706583 /nfs/dbraw/zinc/70/65/83/176706583.db2.gz IMSDUUJUUBYCHQ-RNFRBKRXSA-N 1 2 231.242 1.702 20 10 BDCDLO C[C@H]([NH2+]CCCO)c1ccc(F)c(F)c1O ZINC000191181378 176844181 /nfs/dbraw/zinc/84/41/81/176844181.db2.gz DSTRZXYIGOLRML-ZETCQYMHSA-N 1 2 231.242 1.703 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCn2nccc21 ZINC000492761212 226048338 /nfs/dbraw/zinc/04/83/38/226048338.db2.gz FWJPGJMPOZOXHA-IHWYPQMZSA-N 1 2 243.270 1.056 20 10 BDCDLO Cc1cn[nH]c1C[NH2+]Cc1c(O)cccc1F ZINC000896636662 583819512 /nfs/dbraw/zinc/81/95/12/583819512.db2.gz DYKLBTWAVFWFLN-UHFFFAOYSA-N 1 2 235.262 1.853 20 10 BDCDLO Cc1c[nH]nc1C[NH2+]Cc1c(O)cccc1F ZINC000896636662 583819514 /nfs/dbraw/zinc/81/95/14/583819514.db2.gz DYKLBTWAVFWFLN-UHFFFAOYSA-N 1 2 235.262 1.853 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000897681469 584038935 /nfs/dbraw/zinc/03/89/35/584038935.db2.gz VRPWTDDILCOTIQ-GZMMTYOYSA-N 1 2 241.718 1.858 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000897681469 584038937 /nfs/dbraw/zinc/03/89/37/584038937.db2.gz VRPWTDDILCOTIQ-GZMMTYOYSA-N 1 2 241.718 1.858 20 10 BDCDLO O=C(C1=CC(=O)CS1)N1CCn2c[nH+]cc2C1 ZINC000812296011 586572956 /nfs/dbraw/zinc/57/29/56/586572956.db2.gz JEKOBLBLJXFOLB-UHFFFAOYSA-N 1 2 249.295 1.306 20 10 BDCDLO C[N@H+](CCF)Cc1cccc(F)c1O ZINC000816640227 586747116 /nfs/dbraw/zinc/74/71/16/586747116.db2.gz ZLWJNOSRJBNRKH-UHFFFAOYSA-N 1 2 201.216 1.933 20 10 BDCDLO C[N@@H+](CCF)Cc1cccc(F)c1O ZINC000816640227 586747117 /nfs/dbraw/zinc/74/71/17/586747117.db2.gz ZLWJNOSRJBNRKH-UHFFFAOYSA-N 1 2 201.216 1.933 20 10 BDCDLO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000850578467 588561501 /nfs/dbraw/zinc/56/15/01/588561501.db2.gz LJEXDUAEJVWNTA-XVYDVKMFSA-N 1 2 243.253 1.844 20 10 BDCDLO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876635834 590224010 /nfs/dbraw/zinc/22/40/10/590224010.db2.gz KBWXUPAJYJVPMC-VIFPVBQESA-N 1 2 243.253 1.627 20 10 BDCDLO OC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876635834 590224011 /nfs/dbraw/zinc/22/40/11/590224011.db2.gz KBWXUPAJYJVPMC-VIFPVBQESA-N 1 2 243.253 1.627 20 10 BDCDLO C[C@H](O)CC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876745497 590236468 /nfs/dbraw/zinc/23/64/68/590236468.db2.gz JKEIPVKFIPZQSF-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@H](O)CC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876745497 590236469 /nfs/dbraw/zinc/23/64/69/590236469.db2.gz JKEIPVKFIPZQSF-QMMMGPOBSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877527864 590349086 /nfs/dbraw/zinc/34/90/86/590349086.db2.gz WOCPWYUOJBOSML-SSDOTTSWSA-N 1 2 231.242 1.483 20 10 BDCDLO C[C@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877527864 590349088 /nfs/dbraw/zinc/34/90/88/590349088.db2.gz WOCPWYUOJBOSML-SSDOTTSWSA-N 1 2 231.242 1.483 20 10 BDCDLO OC[C@@H](CCF)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877613700 590373804 /nfs/dbraw/zinc/37/38/04/590373804.db2.gz AIKCPCOQGGONGZ-MRVPVSSYSA-N 1 2 249.232 1.481 20 10 BDCDLO O=C(CCn1cc[nH+]c1)NCc1ccccc1O ZINC000134240754 591904844 /nfs/dbraw/zinc/90/48/44/591904844.db2.gz JVJLUQMZOSCLLX-UHFFFAOYSA-N 1 2 245.282 1.295 20 10 BDCDLO C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134926183 591961861 /nfs/dbraw/zinc/96/18/61/591961861.db2.gz IXANYTFAWCRUIM-BQBZGAKWSA-N 1 2 231.242 1.702 20 10 BDCDLO c1nn[nH]c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922275176 643945575 /nfs/dbraw/zinc/94/55/75/643945575.db2.gz SWXTUNIFAQCOJP-UHFFFAOYSA-N 1 2 244.298 1.420 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827827377 645085793 /nfs/dbraw/zinc/08/57/93/645085793.db2.gz TVHSQSPMIVDEGL-KYZUINATSA-N 1 2 245.681 1.798 20 10 BDCDLO C[C@H]([NH2+]Cc1ccccc1O)c1ncn(C)n1 ZINC000391853515 711139985 /nfs/dbraw/zinc/13/99/85/711139985.db2.gz RUIQZOSNAAPJGP-VIFPVBQESA-N 1 2 232.287 1.372 20 10 BDCDLO CN(C(=O)C[C@H]([NH3+])C(F)F)c1ccc(N)cc1 ZINC001342239995 979725203 /nfs/dbraw/zinc/72/52/03/979725203.db2.gz OLQLEDMQQVSAHV-VIFPVBQESA-N 1 2 243.257 1.214 20 10 BDCDLO CN(Cc1cccc(F)c1O)[C@H]1CC[N@H+](C)C1 ZINC000310487144 971973539 /nfs/dbraw/zinc/97/35/39/971973539.db2.gz GGDSNROVRBROFI-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO CN(Cc1cccc(F)c1O)[C@H]1CC[N@@H+](C)C1 ZINC000310487144 971973544 /nfs/dbraw/zinc/97/35/44/971973544.db2.gz GGDSNROVRBROFI-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO CN1CC[C@H]([N@H+](C)Cc2cccc(F)c2O)C1 ZINC000310487144 971973548 /nfs/dbraw/zinc/97/35/48/971973548.db2.gz GGDSNROVRBROFI-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO CN1CC[C@H]([N@@H+](C)Cc2cccc(F)c2O)C1 ZINC000310487144 971973553 /nfs/dbraw/zinc/97/35/53/971973553.db2.gz GGDSNROVRBROFI-NSHDSACASA-N 1 2 238.306 1.667 20 10 BDCDLO Cc1c(O)ccc(C[NH+]2CC3(CCO3)C2)c1O ZINC001140747400 960554465 /nfs/dbraw/zinc/55/44/65/960554465.db2.gz BQAINOYIVIUYLW-UHFFFAOYSA-N 1 2 235.283 1.381 20 10 BDCDLO Oc1ccc(O)c(C[NH+]2CC3(C2)CCCO3)c1 ZINC001141156772 960889652 /nfs/dbraw/zinc/88/96/52/960889652.db2.gz UQRZHTNSFLQBRG-UHFFFAOYSA-N 1 2 235.283 1.463 20 10 BDCDLO COc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001203629270 966715215 /nfs/dbraw/zinc/71/52/15/966715215.db2.gz VJBHCKMITKGKIR-UHFFFAOYSA-N 1 2 235.283 1.376 20 10 BDCDLO C[N@H+](Cc1ccc(O)c(O)c1)Cc1cnccn1 ZINC001203882661 966810513 /nfs/dbraw/zinc/81/05/13/966810513.db2.gz PMGYEINUTNRGEE-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1cnccn1 ZINC001203882661 966810515 /nfs/dbraw/zinc/81/05/15/966810515.db2.gz PMGYEINUTNRGEE-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO Nc1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1 ZINC001211347798 970239279 /nfs/dbraw/zinc/23/92/79/970239279.db2.gz UAKKJDBWMSLCOY-UHFFFAOYSA-N 1 2 241.285 1.309 20 10 BDCDLO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC(O)C1 ZINC001233451904 978608504 /nfs/dbraw/zinc/60/85/04/978608504.db2.gz CXCTWBSGCTUSIE-UHFFFAOYSA-N 1 2 247.216 1.588 20 10 BDCDLO Nc1ccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC001120263633 989622355 /nfs/dbraw/zinc/62/23/55/989622355.db2.gz STRSSZJJVMXEJL-UHFFFAOYSA-N 1 2 245.326 1.075 20 10 BDCDLO Nc1ccc(C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC001120263633 989622360 /nfs/dbraw/zinc/62/23/60/989622360.db2.gz STRSSZJJVMXEJL-UHFFFAOYSA-N 1 2 245.326 1.075 20 10 BDCDLO Cc1cccc(C[NH2+][C@@]2(C)CCOC2=O)c1O ZINC000290956151 179100545 /nfs/dbraw/zinc/10/05/45/179100545.db2.gz RBUPQXKINQUVLI-ZDUSSCGKSA-N 1 2 235.283 1.496 20 10 BDCDLO Oc1ccc(F)cc1C[NH2+]CC(F)F ZINC000236560059 183274535 /nfs/dbraw/zinc/27/45/35/183274535.db2.gz NOJDFGVIOTXMJZ-UHFFFAOYSA-N 1 2 205.179 1.886 20 10 BDCDLO Oc1ccc(F)cc1C[NH+]1CC(n2ccnn2)C1 ZINC000374822368 183274654 /nfs/dbraw/zinc/27/46/54/183274654.db2.gz DSAKUQMSRJYZRJ-UHFFFAOYSA-N 1 2 248.261 1.180 20 10 BDCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]3C[C@H]31)OCO2 ZINC000368313087 183260422 /nfs/dbraw/zinc/26/04/22/183260422.db2.gz SOVQWRZILGRGEJ-KOLCDFICSA-N 1 2 249.266 1.094 20 10 BDCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H]3C[C@H]31)OCO2 ZINC000368313087 183260423 /nfs/dbraw/zinc/26/04/23/183260423.db2.gz SOVQWRZILGRGEJ-KOLCDFICSA-N 1 2 249.266 1.094 20 10 BDCDLO COC(=O)[C@H]([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000276451719 386325146 /nfs/dbraw/zinc/32/51/46/386325146.db2.gz JYMATRFIKQBKKL-CYBMUJFWSA-N 1 2 249.310 1.742 20 10 BDCDLO Oc1c(F)cccc1CN1CCn2c[nH+]cc2C1 ZINC000291711481 386573386 /nfs/dbraw/zinc/57/33/86/386573386.db2.gz ZVBHGGKIKBKKBL-UHFFFAOYSA-N 1 2 247.273 1.744 20 10 BDCDLO COc1ccc(O)c(C[NH2+]CC(F)F)c1 ZINC000147416965 175159576 /nfs/dbraw/zinc/15/95/76/175159576.db2.gz QKNMTZSMCNJEDT-UHFFFAOYSA-N 1 2 217.215 1.756 20 10 BDCDLO COc1cccc(C[NH2+]CC(F)(F)CO)c1O ZINC000183869415 175263744 /nfs/dbraw/zinc/26/37/44/175263744.db2.gz XXIYQKOGQPCLSW-UHFFFAOYSA-N 1 2 247.241 1.118 20 10 BDCDLO COc1cccc(C[NH2+]Cc2ccn[nH]2)c1O ZINC000041014160 175265457 /nfs/dbraw/zinc/26/54/57/175265457.db2.gz OGVKDAGKYNJMSX-UHFFFAOYSA-N 1 2 233.271 1.414 20 10 BDCDLO C[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC000165413963 176336921 /nfs/dbraw/zinc/33/69/21/176336921.db2.gz CMPPSUUUYGJYMW-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC000165413963 176336924 /nfs/dbraw/zinc/33/69/24/176336924.db2.gz CMPPSUUUYGJYMW-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[NH2+]C[C@@H](C)NCc1cc(Cl)cc(F)c1O ZINC000853248925 588729204 /nfs/dbraw/zinc/72/92/04/588729204.db2.gz LWPLZPMVZQXKGJ-SSDOTTSWSA-N 1 2 246.713 1.882 20 10 BDCDLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1=CC(=O)CS1 ZINC000854684812 588801194 /nfs/dbraw/zinc/80/11/94/588801194.db2.gz GARLEBPVCBCOLI-MRVPVSSYSA-N 1 2 249.295 1.525 20 10 BDCDLO Oc1c(C[NH2+]C[C@@H]2COCO2)ccc(F)c1F ZINC000894888925 583547569 /nfs/dbraw/zinc/54/75/69/583547569.db2.gz MFWXBHMCTVYEHG-MRVPVSSYSA-N 1 2 245.225 1.133 20 10 BDCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895654426 583701094 /nfs/dbraw/zinc/70/10/94/583701094.db2.gz RICHJUHYBKLTMB-CABZTGNLSA-N 1 2 239.702 1.612 20 10 BDCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895654426 583701095 /nfs/dbraw/zinc/70/10/95/583701095.db2.gz RICHJUHYBKLTMB-CABZTGNLSA-N 1 2 239.702 1.612 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000897681470 584039196 /nfs/dbraw/zinc/03/91/96/584039196.db2.gz VRPWTDDILCOTIQ-KCJUWKMLSA-N 1 2 241.718 1.858 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000897681470 584039197 /nfs/dbraw/zinc/03/91/97/584039197.db2.gz VRPWTDDILCOTIQ-KCJUWKMLSA-N 1 2 241.718 1.858 20 10 BDCDLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1O ZINC000775985864 585688356 /nfs/dbraw/zinc/68/83/56/585688356.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccccc1O ZINC000775985864 585688357 /nfs/dbraw/zinc/68/83/57/585688357.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 1 2 234.343 1.917 20 10 BDCDLO COc1ccc2c(c1)CCC[N@H+]2CCCO ZINC000796329894 586100824 /nfs/dbraw/zinc/10/08/24/586100824.db2.gz YNCXYGQBZSQVFW-UHFFFAOYSA-N 1 2 221.300 1.830 20 10 BDCDLO COc1ccc2c(c1)CCC[N@@H+]2CCCO ZINC000796329894 586100825 /nfs/dbraw/zinc/10/08/25/586100825.db2.gz YNCXYGQBZSQVFW-UHFFFAOYSA-N 1 2 221.300 1.830 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CCOCC12CC2 ZINC000802658648 586306820 /nfs/dbraw/zinc/30/68/20/586306820.db2.gz LGPPRPPYZYAQHO-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CCOCC12CC2 ZINC000802658648 586306822 /nfs/dbraw/zinc/30/68/22/586306822.db2.gz LGPPRPPYZYAQHO-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO OC[C@@]1(F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000802660333 586308517 /nfs/dbraw/zinc/30/85/17/586308517.db2.gz IPYSWVVXOGMASC-GFCCVEGCSA-N 1 2 243.253 1.438 20 10 BDCDLO OC[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000802660333 586308520 /nfs/dbraw/zinc/30/85/20/586308520.db2.gz IPYSWVVXOGMASC-GFCCVEGCSA-N 1 2 243.253 1.438 20 10 BDCDLO COc1cccc(O)c1C[NH2+]Cc1nonc1C ZINC000809744366 586516323 /nfs/dbraw/zinc/51/63/23/586516323.db2.gz HXTAOYGKUSEMPV-UHFFFAOYSA-N 1 2 249.270 1.382 20 10 BDCDLO CCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000814172523 586615596 /nfs/dbraw/zinc/61/55/96/586615596.db2.gz QKWZVZXEQUIBOY-OCCSQVGLSA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000814172523 586615597 /nfs/dbraw/zinc/61/55/97/586615597.db2.gz QKWZVZXEQUIBOY-OCCSQVGLSA-N 1 2 249.310 1.764 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)[NH3+] ZINC000849350232 588474960 /nfs/dbraw/zinc/47/49/60/588474960.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 1 2 226.295 1.700 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)[NH3+] ZINC000849350232 588474961 /nfs/dbraw/zinc/47/49/61/588474961.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 1 2 226.295 1.700 20 10 BDCDLO Cc1ccc(C[N@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000876750356 590237875 /nfs/dbraw/zinc/23/78/75/590237875.db2.gz VPUDTWROMXKCJT-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO Cc1ccc(C[N@@H+](C)Cc2nnc[nH]2)c(O)c1 ZINC000876750356 590237877 /nfs/dbraw/zinc/23/78/77/590237877.db2.gz VPUDTWROMXKCJT-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO CCOC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877470339 590335376 /nfs/dbraw/zinc/33/53/76/590335376.db2.gz CDEMEVMCNWNEMK-JTQLQIEISA-N 1 2 237.299 1.742 20 10 BDCDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877571644 590363373 /nfs/dbraw/zinc/36/33/73/590363373.db2.gz GVEKZHUNZSNSAJ-GMSGAONNSA-N 1 2 243.253 1.626 20 10 BDCDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877571644 590363375 /nfs/dbraw/zinc/36/33/75/590363375.db2.gz GVEKZHUNZSNSAJ-GMSGAONNSA-N 1 2 243.253 1.626 20 10 BDCDLO Cc1cc(O)c(C[NH+]2CC(C)(O)C2)c(Cl)c1 ZINC000877580888 590366102 /nfs/dbraw/zinc/36/61/02/590366102.db2.gz JCZKKVKVNXQXOL-UHFFFAOYSA-N 1 2 241.718 1.921 20 10 BDCDLO Cc1ccc(C[N@H+](C)Cc2cn(C)nn2)c(O)c1 ZINC000877630657 590377549 /nfs/dbraw/zinc/37/75/49/590377549.db2.gz IGVMTGVPSSZOCB-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Oc1c(C[NH2+][C@H]2C[C@H](O)C2)ccc(F)c1F ZINC000877640871 590382368 /nfs/dbraw/zinc/38/23/68/590382368.db2.gz GYHCJKUPFVEUIK-ZKCHVHJHSA-N 1 2 229.226 1.283 20 10 BDCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccccc1O ZINC000228802350 640897086 /nfs/dbraw/zinc/89/70/86/640897086.db2.gz AAVDYKSVZNAFCS-SECBINFHSA-N 1 2 232.287 1.372 20 10 BDCDLO C[C@@H](CN(C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708479852 712181029 /nfs/dbraw/zinc/18/10/29/712181029.db2.gz ASXXCQVINNVKGL-QMMMGPOBSA-N 1 2 244.285 1.710 20 10 BDCDLO C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309015076 959561953 /nfs/dbraw/zinc/56/19/53/959561953.db2.gz UCUJOZBSZDIKGS-ZCFIWIBFSA-N 1 2 233.670 1.655 20 10 BDCDLO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001140747817 960548439 /nfs/dbraw/zinc/54/84/39/960548439.db2.gz MNLTZTYNLZNIPM-CMPLNLGQSA-N 1 2 235.283 1.379 20 10 BDCDLO Cc1c(O)ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001140747817 960548456 /nfs/dbraw/zinc/54/84/56/960548456.db2.gz MNLTZTYNLZNIPM-CMPLNLGQSA-N 1 2 235.283 1.379 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140947817 960750919 /nfs/dbraw/zinc/75/09/19/960750919.db2.gz GYSBRFQVBZHMRP-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1ccc(C)cc1O ZINC001140947817 960750923 /nfs/dbraw/zinc/75/09/23/960750923.db2.gz GYSBRFQVBZHMRP-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001203634771 966716811 /nfs/dbraw/zinc/71/68/11/966716811.db2.gz USLDVEZZINUIKG-YPMHNXCESA-N 1 2 235.283 1.374 20 10 BDCDLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001203634771 966716827 /nfs/dbraw/zinc/71/68/27/966716827.db2.gz USLDVEZZINUIKG-YPMHNXCESA-N 1 2 235.283 1.374 20 10 BDCDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879870 966805496 /nfs/dbraw/zinc/80/54/96/966805496.db2.gz JLGRVIMFLVPLGA-NSHDSACASA-N 1 2 237.299 1.709 20 10 BDCDLO CC[C@H]1COCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879870 966805497 /nfs/dbraw/zinc/80/54/97/966805497.db2.gz JLGRVIMFLVPLGA-NSHDSACASA-N 1 2 237.299 1.709 20 10 BDCDLO C[N@H+](Cc1ccc(O)c(O)c1)Cc1ccncn1 ZINC001203883083 966810740 /nfs/dbraw/zinc/81/07/40/966810740.db2.gz DBILHQLBYUWHOK-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1ccncn1 ZINC001203883083 966810744 /nfs/dbraw/zinc/81/07/44/966810744.db2.gz DBILHQLBYUWHOK-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO Oc1cc(Cl)ccc1C[NH2+]Cc1cnn[nH]1 ZINC001206769797 968464063 /nfs/dbraw/zinc/46/40/63/968464063.db2.gz FMIQAOXWRIHBIX-UHFFFAOYSA-N 1 2 238.678 1.454 20 10 BDCDLO Oc1ccc(CNc2cc[nH+]cc2F)cc1O ZINC001169992674 969959024 /nfs/dbraw/zinc/95/90/24/969959024.db2.gz KQAHFUARWCJBMM-UHFFFAOYSA-N 1 2 234.230 1.666 20 10 BDCDLO Oc1cc(C[NH+]2CCSCC2)cc(O)c1O ZINC001233014275 978415836 /nfs/dbraw/zinc/41/58/36/978415836.db2.gz OABNGAGLDLJCOJ-UHFFFAOYSA-N 1 2 241.312 1.352 20 10 BDCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC001343507427 980136760 /nfs/dbraw/zinc/13/67/60/980136760.db2.gz GUXRNPXOTXWGGN-ZDUSSCGKSA-N 1 2 249.310 1.824 20 10 BDCDLO COc1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001203621467 980261575 /nfs/dbraw/zinc/26/15/75/980261575.db2.gz VISGRUOFSYXIQX-UHFFFAOYSA-N 1 2 235.283 1.566 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831880 990856928 /nfs/dbraw/zinc/85/69/28/990856928.db2.gz QWHQGZAYJIXLIQ-BDAKNGLRSA-N 1 2 243.253 1.436 20 10 BDCDLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(O)cccc1F ZINC001137831880 990856930 /nfs/dbraw/zinc/85/69/30/990856930.db2.gz QWHQGZAYJIXLIQ-BDAKNGLRSA-N 1 2 243.253 1.436 20 10 BDCDLO C[N@H+](Cc1cnccn1)Cc1c(O)cccc1F ZINC001137837518 990857502 /nfs/dbraw/zinc/85/75/02/990857502.db2.gz JZSBEJPMVJVFPN-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[N@@H+](Cc1cnccn1)Cc1c(O)cccc1F ZINC001137837518 990857509 /nfs/dbraw/zinc/85/75/09/990857509.db2.gz JZSBEJPMVJVFPN-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[C@@H]1CN(Cc2c(O)cccc2F)CC[N@@H+]1C ZINC001137838641 990858205 /nfs/dbraw/zinc/85/82/05/990858205.db2.gz FGICYZMPKMCGPI-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1CN(Cc2c(O)cccc2F)CC[N@H+]1C ZINC001137838641 990858208 /nfs/dbraw/zinc/85/82/08/990858208.db2.gz FGICYZMPKMCGPI-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCN1C ZINC001137838641 990858210 /nfs/dbraw/zinc/85/82/10/990858210.db2.gz FGICYZMPKMCGPI-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1C ZINC001137838641 990858214 /nfs/dbraw/zinc/85/82/14/990858214.db2.gz FGICYZMPKMCGPI-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO COC(C[N@H+](C)Cc1c(O)cccc1F)OC ZINC001137839159 990859204 /nfs/dbraw/zinc/85/92/04/990859204.db2.gz UGEJRPIDOJPLJE-UHFFFAOYSA-N 1 2 243.278 1.582 20 10 BDCDLO COC(C[N@@H+](C)Cc1c(O)cccc1F)OC ZINC001137839159 990859206 /nfs/dbraw/zinc/85/92/06/990859206.db2.gz UGEJRPIDOJPLJE-UHFFFAOYSA-N 1 2 243.278 1.582 20 10 BDCDLO CO[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057391 991507162 /nfs/dbraw/zinc/50/71/62/991507162.db2.gz DZTHJEULUJZQDT-JQWIXIFHSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057391 991507171 /nfs/dbraw/zinc/50/71/71/991507171.db2.gz DZTHJEULUJZQDT-JQWIXIFHSA-N 1 2 243.253 1.700 20 10 BDCDLO Cc1cc(NCCc2ccc(O)c(O)c2)nc[nH+]1 ZINC000301551084 178163607 /nfs/dbraw/zinc/16/36/07/178163607.db2.gz GZOBAAGVAGZIKJ-UHFFFAOYSA-N 1 2 245.282 1.851 20 10 BDCDLO Cc1cn2c(n1)C[N@@H+](Cc1ccccc1O)CC2 ZINC000374703592 398328665 /nfs/dbraw/zinc/32/86/65/398328665.db2.gz VTPMFMKJLYMPSW-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1cn2c(n1)C[N@H+](Cc1ccccc1O)CC2 ZINC000374703592 398328667 /nfs/dbraw/zinc/32/86/67/398328667.db2.gz VTPMFMKJLYMPSW-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)CO)c(O)c1 ZINC000184705210 188346554 /nfs/dbraw/zinc/34/65/54/188346554.db2.gz XJRIBXJGNHLPCH-VIFPVBQESA-N 1 2 245.269 1.979 20 10 BDCDLO CN(Cc1[nH+]ccn1C)c1ccc2c(c1)OCO2 ZINC000178882097 385422498 /nfs/dbraw/zinc/42/24/98/385422498.db2.gz IJLQBKOYRWRWDJ-UHFFFAOYSA-N 1 2 245.282 1.785 20 10 BDCDLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccccc1O ZINC000276872860 386386247 /nfs/dbraw/zinc/38/62/47/386386247.db2.gz YRDCPAGYAUAMSA-JTQLQIEISA-N 1 2 244.298 1.561 20 10 BDCDLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccccc1O ZINC000276872860 386386242 /nfs/dbraw/zinc/38/62/42/386386242.db2.gz YRDCPAGYAUAMSA-JTQLQIEISA-N 1 2 244.298 1.561 20 10 BDCDLO C[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1=O ZINC000290824643 386478842 /nfs/dbraw/zinc/47/88/42/386478842.db2.gz HBPLAAMGTFQKAT-LBPRGKRZSA-N 1 2 239.246 1.327 20 10 BDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000179559598 170217915 /nfs/dbraw/zinc/21/79/15/170217915.db2.gz HKGLUCQYKJDRGO-UHFFFAOYSA-N 1 2 249.310 1.920 20 10 BDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C1CC1 ZINC000179559598 170217917 /nfs/dbraw/zinc/21/79/17/170217917.db2.gz HKGLUCQYKJDRGO-UHFFFAOYSA-N 1 2 249.310 1.920 20 10 BDCDLO CCOC1C[NH+](Cc2cccc(F)c2O)C1 ZINC000297384379 170336746 /nfs/dbraw/zinc/33/67/46/170336746.db2.gz IUWDZNQOSOHLKH-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO CCc1nnc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000109773616 172049140 /nfs/dbraw/zinc/04/91/40/172049140.db2.gz UJMYTOTVMNAIQN-UHFFFAOYSA-N 1 2 247.298 1.970 20 10 BDCDLO CCc1nnc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000109773616 172049141 /nfs/dbraw/zinc/04/91/41/172049141.db2.gz UJMYTOTVMNAIQN-UHFFFAOYSA-N 1 2 247.298 1.970 20 10 BDCDLO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000060942015 174335490 /nfs/dbraw/zinc/33/54/90/174335490.db2.gz FOAQAUMQEPPXKS-UHFFFAOYSA-N 1 2 226.232 1.036 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000165410153 176306438 /nfs/dbraw/zinc/30/64/38/176306438.db2.gz BLWTXWIGOLVFBX-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000165410153 176306439 /nfs/dbraw/zinc/30/64/39/176306439.db2.gz BLWTXWIGOLVFBX-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO O=C1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000895801061 583730768 /nfs/dbraw/zinc/73/07/68/583730768.db2.gz FGTIMICJQZDCBQ-VIFPVBQESA-N 1 2 241.674 1.451 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187866 584093940 /nfs/dbraw/zinc/09/39/40/584093940.db2.gz MKSNVMUEYZAPJJ-CMPLNLGQSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187866 584093942 /nfs/dbraw/zinc/09/39/42/584093942.db2.gz MKSNVMUEYZAPJJ-CMPLNLGQSA-N 1 2 243.253 1.436 20 10 BDCDLO C[C@@H]([NH2+]CCCON)c1cc(F)cc(F)c1O ZINC000902426918 584594243 /nfs/dbraw/zinc/59/42/43/584594243.db2.gz YYLBXVPZPDMXSF-SSDOTTSWSA-N 1 2 246.257 1.601 20 10 BDCDLO CN(C)c1ccc(C[N@H+](C)Cc2cnn[nH]2)cc1 ZINC000734749068 584967849 /nfs/dbraw/zinc/96/78/49/584967849.db2.gz HWLNWXYWHYJZDO-UHFFFAOYSA-N 1 2 245.330 1.503 20 10 BDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC000734749068 584967850 /nfs/dbraw/zinc/96/78/50/584967850.db2.gz HWLNWXYWHYJZDO-UHFFFAOYSA-N 1 2 245.330 1.503 20 10 BDCDLO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]nn2)cc1 ZINC000734749068 584967851 /nfs/dbraw/zinc/96/78/51/584967851.db2.gz HWLNWXYWHYJZDO-UHFFFAOYSA-N 1 2 245.330 1.503 20 10 BDCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]nn2)cc1 ZINC000734749068 584967852 /nfs/dbraw/zinc/96/78/52/584967852.db2.gz HWLNWXYWHYJZDO-UHFFFAOYSA-N 1 2 245.330 1.503 20 10 BDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000748346134 585191044 /nfs/dbraw/zinc/19/10/44/585191044.db2.gz AHWFWROUSAOUBB-MRVPVSSYSA-N 1 2 240.328 1.230 20 10 BDCDLO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000748346134 585191045 /nfs/dbraw/zinc/19/10/45/585191045.db2.gz AHWFWROUSAOUBB-MRVPVSSYSA-N 1 2 240.328 1.230 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000793184973 586013455 /nfs/dbraw/zinc/01/34/55/586013455.db2.gz CXVCPTCCMMMBHI-JTQLQIEISA-N 1 2 237.299 1.660 20 10 BDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000793614909 586024309 /nfs/dbraw/zinc/02/43/09/586024309.db2.gz NAJWOIVMXYCELH-NEPJUHHUSA-N 1 2 249.310 1.682 20 10 BDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000793614909 586024310 /nfs/dbraw/zinc/02/43/10/586024310.db2.gz NAJWOIVMXYCELH-NEPJUHHUSA-N 1 2 249.310 1.682 20 10 BDCDLO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817942126 586845614 /nfs/dbraw/zinc/84/56/14/586845614.db2.gz XADDSTHUDCLDOS-GXSJLCMTSA-N 1 2 238.306 1.934 20 10 BDCDLO COc1cccc([C@H](C)[NH2+]Cc2ccn[nH]2)c1O ZINC000846148162 588258825 /nfs/dbraw/zinc/25/88/25/588258825.db2.gz XUFGKJLBMGEZGO-VIFPVBQESA-N 1 2 247.298 1.975 20 10 BDCDLO CCc1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000109769631 588592441 /nfs/dbraw/zinc/59/24/41/588592441.db2.gz BZUFTTDMSFORIV-UHFFFAOYSA-N 1 2 247.298 1.970 20 10 BDCDLO CCN(CC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000863644067 589307146 /nfs/dbraw/zinc/30/71/46/589307146.db2.gz ISUOSQCHPZNFRI-UHFFFAOYSA-N 1 2 246.713 1.965 20 10 BDCDLO COC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019885507 590033254 /nfs/dbraw/zinc/03/32/54/590033254.db2.gz YHFGHMNVBXATJG-MRVPVSSYSA-N 1 2 239.271 1.224 20 10 BDCDLO C[C@@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877527866 590348798 /nfs/dbraw/zinc/34/87/98/590348798.db2.gz WOCPWYUOJBOSML-ZETCQYMHSA-N 1 2 231.242 1.483 20 10 BDCDLO C[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877527866 590348801 /nfs/dbraw/zinc/34/88/01/590348801.db2.gz WOCPWYUOJBOSML-ZETCQYMHSA-N 1 2 231.242 1.483 20 10 BDCDLO Oc1c(C[NH2+][C@H]2C[C@@H](O)C2)ccc(F)c1F ZINC000877574350 590362581 /nfs/dbraw/zinc/36/25/81/590362581.db2.gz GYHCJKUPFVEUIK-OCAPTIKFSA-N 1 2 229.226 1.283 20 10 BDCDLO COC(=O)[C@@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000879649593 590841966 /nfs/dbraw/zinc/84/19/66/590841966.db2.gz WYSNYYPVYGJVGW-RNCFNFMXSA-N 1 2 249.310 1.994 20 10 BDCDLO C[C@@H]([NH2+]CCCO)c1cc(F)cc(F)c1O ZINC000134904239 591958429 /nfs/dbraw/zinc/95/84/29/591958429.db2.gz CPBSONISPXIQSF-SSDOTTSWSA-N 1 2 231.242 1.703 20 10 BDCDLO NOCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000904457867 637419854 /nfs/dbraw/zinc/41/98/54/637419854.db2.gz UJMOLZMDFPHRHQ-UHFFFAOYSA-N 1 2 248.685 1.555 20 10 BDCDLO CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817980959 644995589 /nfs/dbraw/zinc/99/55/89/644995589.db2.gz YOMMZIUDLFVWSL-SCZZXKLOSA-N 1 2 226.295 1.919 20 10 BDCDLO O=C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275761 966952825 /nfs/dbraw/zinc/95/28/25/966952825.db2.gz AGLBIZICQQLUKX-UHFFFAOYSA-N 1 2 221.256 1.263 20 10 BDCDLO O=C(NCC[NH+]1CC=CC1)C1=CC(=O)CS1 ZINC001328128130 972883710 /nfs/dbraw/zinc/88/37/10/972883710.db2.gz ATAOJVVQOHEALK-UHFFFAOYSA-N 1 2 238.312 1.055 20 10 BDCDLO Cc1ccc(C[NH+]2CC(N3CCCC3)C2)c(O)c1 ZINC001140949857 960746659 /nfs/dbraw/zinc/74/66/59/960746659.db2.gz NPNRDLRQIYBHJQ-UHFFFAOYSA-N 1 2 246.354 1.981 20 10 BDCDLO CC1(C)C[N@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203874069 966806609 /nfs/dbraw/zinc/80/66/09/966806609.db2.gz MVRRWWIKUQEXAQ-UHFFFAOYSA-N 1 2 237.299 1.709 20 10 BDCDLO CC1(C)C[N@@H+](Cc2ccc(O)c(O)c2)CCO1 ZINC001203874069 966806614 /nfs/dbraw/zinc/80/66/14/966806614.db2.gz MVRRWWIKUQEXAQ-UHFFFAOYSA-N 1 2 237.299 1.709 20 10 BDCDLO Cn1c[nH+]cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001243068518 970258400 /nfs/dbraw/zinc/25/84/00/970258400.db2.gz BNHLKFIZEDOALV-UHFFFAOYSA-N 1 2 240.266 1.334 20 10 BDCDLO C[C@H](C(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC001177926569 978466227 /nfs/dbraw/zinc/46/62/27/978466227.db2.gz GKPRPZZNWJEDOI-SNVBAGLBSA-N 1 2 245.282 1.466 20 10 BDCDLO CCOC1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483228 978610805 /nfs/dbraw/zinc/61/08/05/978610805.db2.gz RFSGIOIJRIGKNC-UHFFFAOYSA-N 1 2 239.271 1.024 20 10 BDCDLO C[N@@H+](Cc1ccc(O)cc1O)Cc1ncccn1 ZINC001204272042 978896439 /nfs/dbraw/zinc/89/64/39/978896439.db2.gz IJZQBJTWSONSKK-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO C[N@H+](Cc1ccc(O)cc1O)Cc1ncccn1 ZINC001204272042 978896440 /nfs/dbraw/zinc/89/64/40/978896440.db2.gz IJZQBJTWSONSKK-UHFFFAOYSA-N 1 2 245.282 1.520 20 10 BDCDLO CCc1ccc(C[N@H+](C)CC(=O)OC)c(O)c1 ZINC001236791740 979742619 /nfs/dbraw/zinc/74/26/19/979742619.db2.gz JILADOUZWKJDDK-UHFFFAOYSA-N 1 2 237.299 1.559 20 10 BDCDLO CCc1ccc(C[N@@H+](C)CC(=O)OC)c(O)c1 ZINC001236791740 979742627 /nfs/dbraw/zinc/74/26/27/979742627.db2.gz JILADOUZWKJDDK-UHFFFAOYSA-N 1 2 237.299 1.559 20 10 BDCDLO Cn1c[nH+]cc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001243072486 984504725 /nfs/dbraw/zinc/50/47/25/984504725.db2.gz PPVDIABMZJPVBZ-UHFFFAOYSA-N 1 2 239.278 1.939 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138122459 984801206 /nfs/dbraw/zinc/80/12/06/984801206.db2.gz GSKGMMWCDPYUFY-VIFPVBQESA-N 1 2 237.274 1.942 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138122459 984801207 /nfs/dbraw/zinc/80/12/07/984801207.db2.gz GSKGMMWCDPYUFY-VIFPVBQESA-N 1 2 237.274 1.942 20 10 BDCDLO O=C(Cn1cc[nH+]c1)N1Cc2cccc(O)c2C1 ZINC001455037648 985054111 /nfs/dbraw/zinc/05/41/11/985054111.db2.gz RRQXHPOTYUIBBH-UHFFFAOYSA-N 1 2 243.266 1.131 20 10 BDCDLO OCC(F)(F)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296387342 183035371 /nfs/dbraw/zinc/03/53/71/183035371.db2.gz JOOPAZHXBPZLBI-SECBINFHSA-N 1 2 243.253 1.597 20 10 BDCDLO Cn1ccnc1C[N@H+](C)Cc1cccc(F)c1O ZINC000160234341 384396240 /nfs/dbraw/zinc/39/62/40/384396240.db2.gz GZCFSNBXODBGSL-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO Cn1ccnc1C[N@@H+](C)Cc1cccc(F)c1O ZINC000160234341 384396242 /nfs/dbraw/zinc/39/62/42/384396242.db2.gz GZCFSNBXODBGSL-UHFFFAOYSA-N 1 2 249.289 1.897 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000083355200 384763810 /nfs/dbraw/zinc/76/38/10/384763810.db2.gz ZNWUWPMQVKAEPN-SSDOTTSWSA-N 1 2 227.235 1.182 20 10 BDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000280820343 385608208 /nfs/dbraw/zinc/60/82/08/385608208.db2.gz JXZBUTCCOPJODI-MRVPVSSYSA-N 1 2 241.262 1.525 20 10 BDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000280820343 385608211 /nfs/dbraw/zinc/60/82/11/385608211.db2.gz JXZBUTCCOPJODI-MRVPVSSYSA-N 1 2 241.262 1.525 20 10 BDCDLO C[N@H+](Cc1cnns1)Cc1ccccc1O ZINC000289968377 386377756 /nfs/dbraw/zinc/37/77/56/386377756.db2.gz JASVDQWLVTWGJU-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO C[N@@H+](Cc1cnns1)Cc1ccccc1O ZINC000289968377 386377761 /nfs/dbraw/zinc/37/77/61/386377761.db2.gz JASVDQWLVTWGJU-UHFFFAOYSA-N 1 2 235.312 1.876 20 10 BDCDLO C[C@@H]1Cc2c(-c3[nH+]ccn3C)cccc2C(=O)N1 ZINC000656369662 411236446 /nfs/dbraw/zinc/23/64/46/411236446.db2.gz RHFNVUBRIVBXHG-SECBINFHSA-N 1 2 241.294 1.762 20 10 BDCDLO COC[C@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162865669 174597831 /nfs/dbraw/zinc/59/78/31/174597831.db2.gz LMRDFGHXEAVURD-SECBINFHSA-N 1 2 245.706 1.143 20 10 BDCDLO FC(F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000147330186 583445133 /nfs/dbraw/zinc/44/51/33/583445133.db2.gz YELSVHWEWYSFNU-UHFFFAOYSA-N 1 2 213.227 1.976 20 10 BDCDLO CCOC1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894970895 583561390 /nfs/dbraw/zinc/56/13/90/583561390.db2.gz OYVUUMPSCXAYBI-UHFFFAOYSA-N 1 2 243.253 1.891 20 10 BDCDLO O=C(NCCn1cc[nH+]c1)C1=CC(=O)CS1 ZINC000732271271 584935333 /nfs/dbraw/zinc/93/53/33/584935333.db2.gz UBQBCTASYXKFGB-UHFFFAOYSA-N 1 2 237.284 1.080 20 10 BDCDLO C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965828 586854744 /nfs/dbraw/zinc/85/47/44/586854744.db2.gz CPRHXCGBDGRQNH-RNFRBKRXSA-N 1 2 230.258 1.668 20 10 BDCDLO C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965829 586855636 /nfs/dbraw/zinc/85/56/36/586855636.db2.gz CPRHXCGBDGRQNH-RQJHMYQMSA-N 1 2 230.258 1.668 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000822503266 587172088 /nfs/dbraw/zinc/17/20/88/587172088.db2.gz DTJJDNRQKUSZHJ-NXEZZACHSA-N 1 2 245.681 1.798 20 10 BDCDLO C[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876525895 590208337 /nfs/dbraw/zinc/20/83/37/590208337.db2.gz PVTOQOSBDBEMND-UHFFFAOYSA-N 1 2 217.215 1.095 20 10 BDCDLO C[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876525895 590208339 /nfs/dbraw/zinc/20/83/39/590208339.db2.gz PVTOQOSBDBEMND-UHFFFAOYSA-N 1 2 217.215 1.095 20 10 BDCDLO Cc1noc(C2([NH2+]Cc3ccccc3O)CC2)n1 ZINC000897897783 636844593 /nfs/dbraw/zinc/84/45/93/636844593.db2.gz KJBOETRTMDHESA-UHFFFAOYSA-N 1 2 245.282 1.863 20 10 BDCDLO CCC[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000083364801 643440455 /nfs/dbraw/zinc/44/04/55/643440455.db2.gz CEBJZVWCNUAGQK-LLVKDONJSA-N 1 2 237.299 1.824 20 10 BDCDLO Cc1cccc(C[NH2+]Cc2c[nH]nn2)c1O ZINC000398302746 711406301 /nfs/dbraw/zinc/40/63/01/711406301.db2.gz NKCKIXIHQGTRFK-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO Cc1cccc(C[NH2+]Cc2cn[nH]n2)c1O ZINC000398302746 711406304 /nfs/dbraw/zinc/40/63/04/711406304.db2.gz NKCKIXIHQGTRFK-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231848707 977756786 /nfs/dbraw/zinc/75/67/86/977756786.db2.gz JRPOPRGLHUMVQI-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1c(C)cc(C)cc1O ZINC001231848707 977756797 /nfs/dbraw/zinc/75/67/97/977756797.db2.gz JRPOPRGLHUMVQI-UHFFFAOYSA-N 1 2 237.299 1.614 20 10 BDCDLO Nc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218270519 971668053 /nfs/dbraw/zinc/66/80/53/971668053.db2.gz DGLQVEZHUGOOKP-JTQLQIEISA-N 1 2 228.242 1.645 20 10 BDCDLO Nc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000260159063 959623096 /nfs/dbraw/zinc/62/30/96/959623096.db2.gz RFRUDNFVJUDFJV-UHFFFAOYSA-N 1 2 200.245 1.990 20 10 BDCDLO Oc1ccccc1C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC000714555890 964099495 /nfs/dbraw/zinc/09/94/95/964099495.db2.gz NNELIZSSOWEZOV-NXEZZACHSA-N 1 2 213.227 1.884 20 10 BDCDLO COc1ccc(O)c(C[NH+]2CCC(=O)CC2)c1 ZINC001203669900 966733432 /nfs/dbraw/zinc/73/34/32/966733432.db2.gz HEUJQCRUDAUGRI-UHFFFAOYSA-N 1 2 235.283 1.566 20 10 BDCDLO C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203875797 966805456 /nfs/dbraw/zinc/80/54/56/966805456.db2.gz VQOKICNMRJOKGP-JTQLQIEISA-N 1 2 249.310 1.899 20 10 BDCDLO C[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203875797 966805459 /nfs/dbraw/zinc/80/54/59/966805459.db2.gz VQOKICNMRJOKGP-JTQLQIEISA-N 1 2 249.310 1.899 20 10 BDCDLO Cc1nc(NCc2ccc(O)c(O)c2)cc[nH+]1 ZINC001169994522 969971481 /nfs/dbraw/zinc/97/14/81/969971481.db2.gz CTYFSJPBCDGERP-UHFFFAOYSA-N 1 2 231.255 1.808 20 10 BDCDLO CCn1cc(C[N@H+](C)Cc2ccccc2O)nn1 ZINC001334523323 976549904 /nfs/dbraw/zinc/54/99/04/976549904.db2.gz KRBRPTBIJHRKDD-UHFFFAOYSA-N 1 2 246.314 1.636 20 10 BDCDLO CCn1cc(C[N@@H+](C)Cc2ccccc2O)nn1 ZINC001334523323 976549916 /nfs/dbraw/zinc/54/99/16/976549916.db2.gz KRBRPTBIJHRKDD-UHFFFAOYSA-N 1 2 246.314 1.636 20 10 BDCDLO CCOc1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001237041899 979809221 /nfs/dbraw/zinc/80/92/21/979809221.db2.gz PLNFRGLNDGGMQE-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO CCOc1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001237041899 979809225 /nfs/dbraw/zinc/80/92/25/979809225.db2.gz PLNFRGLNDGGMQE-UHFFFAOYSA-N 1 2 249.310 1.766 20 10 BDCDLO CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590745061 982979564 /nfs/dbraw/zinc/97/95/64/982979564.db2.gz AMVWOLGALUIVJT-SSDOTTSWSA-N 1 2 233.275 1.243 20 10 BDCDLO C[N@H+](Cc1ccncn1)Cc1cccc(F)c1O ZINC001138131085 990885693 /nfs/dbraw/zinc/88/56/93/990885693.db2.gz PBAXBSPFBFERGU-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO C[N@@H+](Cc1ccncn1)Cc1cccc(F)c1O ZINC001138131085 990885699 /nfs/dbraw/zinc/88/56/99/990885699.db2.gz PBAXBSPFBFERGU-UHFFFAOYSA-N 1 2 247.273 1.953 20 10 BDCDLO COC(=O)C(C)(C)[NH2+]Cc1ccccc1O ZINC000037085328 343333364 /nfs/dbraw/zinc/33/33/64/343333364.db2.gz AFRUNIBFTVZMQW-UHFFFAOYSA-N 1 2 223.272 1.433 20 10 BDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1cc(F)ccc1O ZINC000184712913 384639592 /nfs/dbraw/zinc/63/95/92/384639592.db2.gz JMPURMLBWYHDOE-SSDOTTSWSA-N 1 2 249.232 1.810 20 10 BDCDLO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000083367810 384765654 /nfs/dbraw/zinc/76/56/54/384765654.db2.gz RNIPMANEUGLVHH-VIFPVBQESA-N 1 2 240.259 1.161 20 10 BDCDLO CC[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000188466456 385056651 /nfs/dbraw/zinc/05/66/51/385056651.db2.gz BUCNDRWIEYPEQP-UHFFFAOYSA-N 1 2 242.706 1.353 20 10 BDCDLO CC[N@@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000188466456 385056655 /nfs/dbraw/zinc/05/66/55/385056655.db2.gz BUCNDRWIEYPEQP-UHFFFAOYSA-N 1 2 242.706 1.353 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000165157441 385072586 /nfs/dbraw/zinc/07/25/86/385072586.db2.gz DTIUVFSLGHXIRV-SSDOTTSWSA-N 1 2 243.690 1.697 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000165151727 385073492 /nfs/dbraw/zinc/07/34/92/385073492.db2.gz TUPHZTZUPIFTGT-VIFPVBQESA-N 1 2 223.272 1.352 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000234539447 386077614 /nfs/dbraw/zinc/07/76/14/386077614.db2.gz ZNWUWPMQVKAEPN-ZETCQYMHSA-N 1 2 227.235 1.182 20 10 BDCDLO CN(C)c1ccc(C[NH2+][C@]2(C)CCOC2=O)cc1 ZINC000289474290 386312560 /nfs/dbraw/zinc/31/25/60/386312560.db2.gz HPYADGZSKCWPOS-CQSZACIVSA-N 1 2 248.326 1.548 20 10 BDCDLO C[N@H+](CCC(N)=O)Cc1cccc(Cl)c1O ZINC000289913619 388364267 /nfs/dbraw/zinc/36/42/67/388364267.db2.gz XFINIYXYNQLLLW-UHFFFAOYSA-N 1 2 242.706 1.353 20 10 BDCDLO C[N@@H+](CCC(N)=O)Cc1cccc(Cl)c1O ZINC000289913619 388364269 /nfs/dbraw/zinc/36/42/69/388364269.db2.gz XFINIYXYNQLLLW-UHFFFAOYSA-N 1 2 242.706 1.353 20 10 BDCDLO CN(C)c1ccc(C[NH+]2CCOCC2)cc1F ZINC000154503686 172553069 /nfs/dbraw/zinc/55/30/69/172553069.db2.gz QIBYVBOIKKYSGN-UHFFFAOYSA-N 1 2 238.306 1.724 20 10 BDCDLO C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226562493 177292234 /nfs/dbraw/zinc/29/22/34/177292234.db2.gz ALVKSOUAGJDYKZ-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000226562493 177292236 /nfs/dbraw/zinc/29/22/36/177292236.db2.gz ALVKSOUAGJDYKZ-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1cccc2c1C[N@H+](Cc1cc[nH]n1)C2 ZINC000877703433 583344080 /nfs/dbraw/zinc/34/40/80/583344080.db2.gz JFNBCVWYYSGMKI-UHFFFAOYSA-N 1 2 215.256 1.631 20 10 BDCDLO Oc1cccc2c1C[N@@H+](Cc1cc[nH]n1)C2 ZINC000877703433 583344082 /nfs/dbraw/zinc/34/40/82/583344082.db2.gz JFNBCVWYYSGMKI-UHFFFAOYSA-N 1 2 215.256 1.631 20 10 BDCDLO C[C@H](CCO)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000895149179 583605531 /nfs/dbraw/zinc/60/55/31/583605531.db2.gz CTCLTFOBHHPOCP-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO C[C@H](CCO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000895149179 583605532 /nfs/dbraw/zinc/60/55/32/583605532.db2.gz CTCLTFOBHHPOCP-MRVPVSSYSA-N 1 2 245.269 1.873 20 10 BDCDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=CC(=O)CS1 ZINC000857886178 588921300 /nfs/dbraw/zinc/92/13/00/588921300.db2.gz UYRPFAHIPDFBCO-SSDOTTSWSA-N 1 2 249.295 1.005 20 10 BDCDLO CN(C)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1F ZINC000858197715 588938391 /nfs/dbraw/zinc/93/83/91/588938391.db2.gz HCJCIYIHYJCJBK-UHFFFAOYSA-N 1 2 249.293 1.300 20 10 BDCDLO COC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000839131125 585093828 /nfs/dbraw/zinc/09/38/28/585093828.db2.gz NEOWPKODPXYSNU-UHFFFAOYSA-N 1 2 227.691 1.876 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840955752 587931911 /nfs/dbraw/zinc/93/19/11/587931911.db2.gz YOVQOIQLSBYYLX-NSHDSACASA-N 1 2 243.253 1.702 20 10 BDCDLO Cc1ccc(C[NH+]2CCS(=O)CC2)c(O)c1 ZINC000876693750 590230896 /nfs/dbraw/zinc/23/08/96/590230896.db2.gz IVQOGIQLALYCLZ-UHFFFAOYSA-N 1 2 239.340 1.265 20 10 BDCDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877471476 590335126 /nfs/dbraw/zinc/33/51/26/590335126.db2.gz TUPORNNIZYKZNN-ZDUSSCGKSA-N 1 2 249.310 1.742 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877492405 590340086 /nfs/dbraw/zinc/34/00/86/590340086.db2.gz JUGWXXDXRPFSCF-SECBINFHSA-N 1 2 223.272 1.352 20 10 BDCDLO C[N@H+](CCCO)Cc1ccc(F)c(F)c1O ZINC000877498296 590341600 /nfs/dbraw/zinc/34/16/00/590341600.db2.gz BAJCNFUQDMQMTL-UHFFFAOYSA-N 1 2 231.242 1.485 20 10 BDCDLO C[N@@H+](CCCO)Cc1ccc(F)c(F)c1O ZINC000877498296 590341605 /nfs/dbraw/zinc/34/16/05/590341605.db2.gz BAJCNFUQDMQMTL-UHFFFAOYSA-N 1 2 231.242 1.485 20 10 BDCDLO Cc1cc(O)c(C[NH+]2CC(C)(O)C2)cc1Cl ZINC000877580689 590366127 /nfs/dbraw/zinc/36/61/27/590366127.db2.gz GWRDRCLEOYBTSX-UHFFFAOYSA-N 1 2 241.718 1.921 20 10 BDCDLO Oc1c(C[NH2+][C@@H]2CC[C@H]2O)ccc(F)c1F ZINC000877597281 590371393 /nfs/dbraw/zinc/37/13/93/590371393.db2.gz GPKCLVRFOJEZIS-RKDXNWHRSA-N 1 2 229.226 1.283 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+]1CCn2nncc2C1 ZINC000877616731 590374094 /nfs/dbraw/zinc/37/40/94/590374094.db2.gz GWVDDHLDSNPHJB-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1cccc(O)c1C[N@H+]1CCn2nncc2C1 ZINC000877616731 590374096 /nfs/dbraw/zinc/37/40/96/590374096.db2.gz GWVDDHLDSNPHJB-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000134211325 591903839 /nfs/dbraw/zinc/90/38/39/591903839.db2.gz GDOXNMKATVFNAS-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(O)c(C[N@H+]2CCn3ccnc3C2)c1 ZINC000134211325 591903842 /nfs/dbraw/zinc/90/38/42/591903842.db2.gz GDOXNMKATVFNAS-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(O)c(CN2CCn3cc[nH+]c3C2)c1 ZINC000134211325 591903845 /nfs/dbraw/zinc/90/38/45/591903845.db2.gz GDOXNMKATVFNAS-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO C[N@@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000135187012 591994647 /nfs/dbraw/zinc/99/46/47/591994647.db2.gz KHTNRNKUJJYTGP-UHFFFAOYSA-N 1 2 244.298 1.396 20 10 BDCDLO C[N@H+](Cc1ccccc1O)Cc1nccc(N)n1 ZINC000135187012 591994649 /nfs/dbraw/zinc/99/46/49/591994649.db2.gz KHTNRNKUJJYTGP-UHFFFAOYSA-N 1 2 244.298 1.396 20 10 BDCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1c(O)cccc1F ZINC000886592071 592270360 /nfs/dbraw/zinc/27/03/60/592270360.db2.gz KBYSDWCWUUISAJ-SSDOTTSWSA-N 1 2 249.232 1.810 20 10 BDCDLO COc1cccc(O)c1C[NH+]1CCOCC1 ZINC000031969696 641702035 /nfs/dbraw/zinc/70/20/35/641702035.db2.gz XLZOHRCCUXIMKD-UHFFFAOYSA-N 1 2 223.272 1.233 20 10 BDCDLO c1cn(Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000917358534 642042239 /nfs/dbraw/zinc/04/22/39/642042239.db2.gz AVPQDOQSAGQXAN-UHFFFAOYSA-N 1 2 243.310 1.768 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000179672863 642735041 /nfs/dbraw/zinc/73/50/41/642735041.db2.gz XIMVBBCUBGCEDA-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO CCOC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000179672863 642735051 /nfs/dbraw/zinc/73/50/51/642735051.db2.gz XIMVBBCUBGCEDA-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO Cc1ccc(O)c(C[NH2+]Cc2c[nH]nn2)c1 ZINC000398293931 711406697 /nfs/dbraw/zinc/40/66/97/711406697.db2.gz HYZLNWHLBHKOHQ-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO Cc1ccc(O)c(C[NH2+]Cc2cn[nH]n2)c1 ZINC000398293931 711406700 /nfs/dbraw/zinc/40/67/00/711406700.db2.gz HYZLNWHLBHKOHQ-UHFFFAOYSA-N 1 2 218.260 1.109 20 10 BDCDLO CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703490954 712077112 /nfs/dbraw/zinc/07/71/12/712077112.db2.gz OAZCKIMLTCSWHP-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703490954 712077113 /nfs/dbraw/zinc/07/71/13/712077113.db2.gz OAZCKIMLTCSWHP-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO Cc1c(O)ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC001140747821 960551066 /nfs/dbraw/zinc/55/10/66/960551066.db2.gz MNLTZTYNLZNIPM-PWSUYJOCSA-N 1 2 235.283 1.379 20 10 BDCDLO Cc1c(O)ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC001140747821 960551076 /nfs/dbraw/zinc/55/10/76/960551076.db2.gz MNLTZTYNLZNIPM-PWSUYJOCSA-N 1 2 235.283 1.379 20 10 BDCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC001140954273 960757030 /nfs/dbraw/zinc/75/70/30/960757030.db2.gz OKAMPRZZXDQWGA-AWEZNQCLSA-N 1 2 249.310 1.490 20 10 BDCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC001140954273 960757057 /nfs/dbraw/zinc/75/70/57/960757057.db2.gz OKAMPRZZXDQWGA-AWEZNQCLSA-N 1 2 249.310 1.490 20 10 BDCDLO OC[C@@]1(F)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875492 966806722 /nfs/dbraw/zinc/80/67/22/966806722.db2.gz NNDBNIVLDKUOAN-GFCCVEGCSA-N 1 2 241.262 1.004 20 10 BDCDLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875492 966806724 /nfs/dbraw/zinc/80/67/24/966806724.db2.gz NNDBNIVLDKUOAN-GFCCVEGCSA-N 1 2 241.262 1.004 20 10 BDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O)cc1O ZINC001204277797 966957586 /nfs/dbraw/zinc/95/75/86/966957586.db2.gz AIEWOSFVLVYJIL-MRVPVSSYSA-N 1 2 239.271 1.091 20 10 BDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O)cc1O ZINC001204277797 966957588 /nfs/dbraw/zinc/95/75/88/966957588.db2.gz AIEWOSFVLVYJIL-MRVPVSSYSA-N 1 2 239.271 1.091 20 10 BDCDLO CC(=O)OC1C[NH+](Cc2ccccc2O)C1 ZINC001203555811 966971410 /nfs/dbraw/zinc/97/14/10/966971410.db2.gz GQQHKYJXUOXUPZ-UHFFFAOYSA-N 1 2 221.256 1.140 20 10 BDCDLO CO[C@@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831773 967822288 /nfs/dbraw/zinc/82/22/88/967822288.db2.gz MTJUMQKBUGVRFQ-CMPLNLGQSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831773 967822292 /nfs/dbraw/zinc/82/22/92/967822292.db2.gz MTJUMQKBUGVRFQ-CMPLNLGQSA-N 1 2 243.253 1.700 20 10 BDCDLO Oc1cccc(F)c1CN1CCn2c[nH+]cc2C1 ZINC001137838696 967910469 /nfs/dbraw/zinc/91/04/69/967910469.db2.gz HTFNXCWADQBIDA-UHFFFAOYSA-N 1 2 247.273 1.744 20 10 BDCDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc(C)c1O ZINC001231591550 977642557 /nfs/dbraw/zinc/64/25/57/977642557.db2.gz GOIZHYWTHTWLKS-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc(C)c1O ZINC001231591550 977642567 /nfs/dbraw/zinc/64/25/67/977642567.db2.gz GOIZHYWTHTWLKS-NSHDSACASA-N 1 2 235.283 1.448 20 10 BDCDLO Oc1cc(C[NH+]2CC=CC2)cc(O)c1O ZINC001233010785 978405354 /nfs/dbraw/zinc/40/53/54/978405354.db2.gz UGLAFJIGBGCTCR-UHFFFAOYSA-N 1 2 207.229 1.175 20 10 BDCDLO Oc1cc(C[N@@H+]2CCCOCC2)cc(O)c1O ZINC001233010789 978416148 /nfs/dbraw/zinc/41/61/48/978416148.db2.gz ULNUGWIAEFPPIK-UHFFFAOYSA-N 1 2 239.271 1.026 20 10 BDCDLO Oc1cc(C[N@H+]2CCCOCC2)cc(O)c1O ZINC001233010789 978416154 /nfs/dbraw/zinc/41/61/54/978416154.db2.gz ULNUGWIAEFPPIK-UHFFFAOYSA-N 1 2 239.271 1.026 20 10 BDCDLO C[N@H+](Cc1c(O)ccc(F)c1F)[C@@H]1CCOC1 ZINC001233334782 978565987 /nfs/dbraw/zinc/56/59/87/978565987.db2.gz SXCRNYFZNMGJNV-MRVPVSSYSA-N 1 2 243.253 1.891 20 10 BDCDLO C[N@@H+](Cc1c(O)ccc(F)c1F)[C@@H]1CCOC1 ZINC001233334782 978565994 /nfs/dbraw/zinc/56/59/94/978565994.db2.gz SXCRNYFZNMGJNV-MRVPVSSYSA-N 1 2 243.253 1.891 20 10 BDCDLO C[C@H]1COCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483443 978612037 /nfs/dbraw/zinc/61/20/37/978612037.db2.gz ZESSAEJWEOKREY-QMMMGPOBSA-N 1 2 239.271 1.024 20 10 BDCDLO C[C@H]1COCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483443 978612044 /nfs/dbraw/zinc/61/20/44/978612044.db2.gz ZESSAEJWEOKREY-QMMMGPOBSA-N 1 2 239.271 1.024 20 10 BDCDLO COc1ccc(O)c(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001203669937 980558510 /nfs/dbraw/zinc/55/85/10/980558510.db2.gz IQBPYSQKIYISPK-JTQLQIEISA-N 1 2 249.310 1.954 20 10 BDCDLO COc1ccc(O)c(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001203669937 980558515 /nfs/dbraw/zinc/55/85/15/980558515.db2.gz IQBPYSQKIYISPK-JTQLQIEISA-N 1 2 249.310 1.954 20 10 BDCDLO COc1cccc(CN2CC3(CC[N@@H+]3C)C2)c1O ZINC001275273403 984530342 /nfs/dbraw/zinc/53/03/42/984530342.db2.gz OFOMOJQOZYSXEV-UHFFFAOYSA-N 1 2 248.326 1.291 20 10 BDCDLO COc1cccc(CN2CC3(CC[N@H+]3C)C2)c1O ZINC001275273403 984530352 /nfs/dbraw/zinc/53/03/52/984530352.db2.gz OFOMOJQOZYSXEV-UHFFFAOYSA-N 1 2 248.326 1.291 20 10 BDCDLO COCCn1ccc(-c2ccc[nH+]c2N)cc1=O ZINC001243477242 985039582 /nfs/dbraw/zinc/03/95/82/985039582.db2.gz NSISIKTWGLWEKZ-UHFFFAOYSA-N 1 2 245.282 1.139 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001137831508 990853723 /nfs/dbraw/zinc/85/37/23/990853723.db2.gz CALQCIZGXQZTEC-ZYHUDNBSSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001137831508 990853725 /nfs/dbraw/zinc/85/37/25/990853725.db2.gz CALQCIZGXQZTEC-ZYHUDNBSSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001137832646 990855069 /nfs/dbraw/zinc/85/50/69/990855069.db2.gz CALQCIZGXQZTEC-CMPLNLGQSA-N 1 2 243.253 1.436 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001137832646 990855071 /nfs/dbraw/zinc/85/50/71/990855071.db2.gz CALQCIZGXQZTEC-CMPLNLGQSA-N 1 2 243.253 1.436 20 10 BDCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832758 990855237 /nfs/dbraw/zinc/85/52/37/990855237.db2.gz GWNUPUWWRLILGG-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832758 990855239 /nfs/dbraw/zinc/85/52/39/990855239.db2.gz GWNUPUWWRLILGG-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCC12COC2 ZINC001140055142 991510480 /nfs/dbraw/zinc/51/04/80/991510480.db2.gz LFFTXBQXKGHGLW-UHFFFAOYSA-N 1 2 223.247 1.506 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCC12COC2 ZINC001140055142 991510486 /nfs/dbraw/zinc/51/04/86/991510486.db2.gz LFFTXBQXKGHGLW-UHFFFAOYSA-N 1 2 223.247 1.506 20 10 BDCDLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057387 991512037 /nfs/dbraw/zinc/51/20/37/991512037.db2.gz DZTHJEULUJZQDT-CMPLNLGQSA-N 1 2 243.253 1.700 20 10 BDCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057387 991512046 /nfs/dbraw/zinc/51/20/46/991512046.db2.gz DZTHJEULUJZQDT-CMPLNLGQSA-N 1 2 243.253 1.700 20 10 BDCDLO Cc1cccc(C[N@H+](CCO)CC(F)F)c1O ZINC000193024873 179070929 /nfs/dbraw/zinc/07/09/29/179070929.db2.gz VYYIXLGNGCFKIF-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO Cc1cccc(C[N@@H+](CCO)CC(F)F)c1O ZINC000193024873 179070931 /nfs/dbraw/zinc/07/09/31/179070931.db2.gz VYYIXLGNGCFKIF-UHFFFAOYSA-N 1 2 245.269 1.760 20 10 BDCDLO CN(C)C(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC000160199154 384392412 /nfs/dbraw/zinc/39/24/12/384392412.db2.gz HKYISXOTSXWYFT-UHFFFAOYSA-N 1 2 240.278 1.051 20 10 BDCDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000160199154 384392416 /nfs/dbraw/zinc/39/24/16/384392416.db2.gz HKYISXOTSXWYFT-UHFFFAOYSA-N 1 2 240.278 1.051 20 10 BDCDLO Cc1ccc(O)c([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184686695 384636800 /nfs/dbraw/zinc/63/68/00/384636800.db2.gz RUPJKDOVZVQWHP-VIFPVBQESA-N 1 2 245.269 1.979 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000083352579 384761962 /nfs/dbraw/zinc/76/19/62/384761962.db2.gz TUPHZTZUPIFTGT-SECBINFHSA-N 1 2 223.272 1.352 20 10 BDCDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c(O)c1 ZINC000186214535 384829077 /nfs/dbraw/zinc/82/90/77/384829077.db2.gz QFLBBUNOBHICRC-SNVBAGLBSA-N 1 2 246.314 1.680 20 10 BDCDLO Cc1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000109769622 385189979 /nfs/dbraw/zinc/18/99/79/385189979.db2.gz GFZRXQJOTAJJQE-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO Cc1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000109769622 385189985 /nfs/dbraw/zinc/18/99/85/385189985.db2.gz GFZRXQJOTAJJQE-UHFFFAOYSA-N 1 2 233.271 1.716 20 10 BDCDLO C[C@@H]([NH2+]CCF)c1cc([N+](=O)[O-])ccc1O ZINC000280873980 385379542 /nfs/dbraw/zinc/37/95/42/385379542.db2.gz AJPZRDWMSPVGCV-SSDOTTSWSA-N 1 2 228.223 1.921 20 10 BDCDLO COc1cc(O)c(C[NH2+]CC(F)F)cc1OC ZINC000298104944 386298437 /nfs/dbraw/zinc/29/84/37/386298437.db2.gz NSRTTZVLENYSHD-UHFFFAOYSA-N 1 2 247.241 1.764 20 10 BDCDLO C[C@@]1([NH2+]Cc2cccc(F)c2O)CCOC1=O ZINC000290936468 386490286 /nfs/dbraw/zinc/49/02/86/386490286.db2.gz PJLPAFADVRAFRK-GFCCVEGCSA-N 1 2 239.246 1.327 20 10 BDCDLO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187737950 386589766 /nfs/dbraw/zinc/58/97/66/386589766.db2.gz IMSDUUJUUBYCHQ-BQBZGAKWSA-N 1 2 231.242 1.702 20 10 BDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000493849931 388098866 /nfs/dbraw/zinc/09/88/66/388098866.db2.gz SBYXKZZRJRJVOQ-SNAWJCMRSA-N 1 2 228.255 1.481 20 10 BDCDLO CN(C)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000163728765 172370325 /nfs/dbraw/zinc/37/03/25/172370325.db2.gz ZZQWRRGUOFLTCY-UHFFFAOYSA-N 1 2 242.706 1.223 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1 ZINC000294926020 176304124 /nfs/dbraw/zinc/30/41/24/176304124.db2.gz FXYMIVCJIJGTAI-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC(=O)N1 ZINC000294926020 176304125 /nfs/dbraw/zinc/30/41/25/176304125.db2.gz FXYMIVCJIJGTAI-LLVKDONJSA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226562487 176337325 /nfs/dbraw/zinc/33/73/25/176337325.db2.gz ALVKSOUAGJDYKZ-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000226562487 176337326 /nfs/dbraw/zinc/33/73/26/176337326.db2.gz ALVKSOUAGJDYKZ-SECBINFHSA-N 1 2 225.263 1.752 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]CC1COC1 ZINC000529676821 324376229 /nfs/dbraw/zinc/37/62/29/324376229.db2.gz WJWOBCPUHVGTLU-UHFFFAOYSA-N 1 2 227.691 1.782 20 10 BDCDLO C[NH2+]C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000853248281 588729129 /nfs/dbraw/zinc/72/91/29/588729129.db2.gz CVACAEBEKNKVHV-QMMMGPOBSA-N 1 2 228.723 1.743 20 10 BDCDLO Cc1cccc(O)c1C[NH2+][C@H]1CCOC1=O ZINC000895808659 583729481 /nfs/dbraw/zinc/72/94/81/583729481.db2.gz LUPQKRPPVJOPDA-JTQLQIEISA-N 1 2 221.256 1.106 20 10 BDCDLO C[N@@H+]1CCO[C@@H](CSc2nccs2)C1 ZINC000727744579 583761964 /nfs/dbraw/zinc/76/19/64/583761964.db2.gz OZNLATDWADFCGQ-MRVPVSSYSA-N 1 2 230.358 1.566 20 10 BDCDLO C[N@H+]1CCO[C@@H](CSc2nccs2)C1 ZINC000727744579 583761966 /nfs/dbraw/zinc/76/19/66/583761966.db2.gz OZNLATDWADFCGQ-MRVPVSSYSA-N 1 2 230.358 1.566 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CNOC1 ZINC000904425595 584881669 /nfs/dbraw/zinc/88/16/69/584881669.db2.gz SFXRBNXGCCHZAK-QMMMGPOBSA-N 1 2 228.679 1.039 20 10 BDCDLO COC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000839127630 585093256 /nfs/dbraw/zinc/09/32/56/585093256.db2.gz HFRGGUSVUNIDGT-UHFFFAOYSA-N 1 2 227.691 1.876 20 10 BDCDLO COC1C[NH+](Cc2cccc(F)c2O)C1 ZINC000839131378 585093644 /nfs/dbraw/zinc/09/36/44/585093644.db2.gz TVWGPENDGGJAPK-UHFFFAOYSA-N 1 2 211.236 1.362 20 10 BDCDLO O=C(NCc1c[nH+]c[nH]1)C1=CC(=O)CS1 ZINC000748321071 585190877 /nfs/dbraw/zinc/19/08/77/585190877.db2.gz CSSTXPDDYNGBLQ-UHFFFAOYSA-N 1 2 223.257 1.107 20 10 BDCDLO O=C(NCc1c[nH]c[nH+]1)C1=CC(=O)CS1 ZINC000748321071 585190878 /nfs/dbraw/zinc/19/08/78/585190878.db2.gz CSSTXPDDYNGBLQ-UHFFFAOYSA-N 1 2 223.257 1.107 20 10 BDCDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1O ZINC000775985863 585688322 /nfs/dbraw/zinc/68/83/22/585688322.db2.gz PGZKXTOGCMQLMF-NWDGAFQWSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccccc1O ZINC000775985863 585688323 /nfs/dbraw/zinc/68/83/23/585688323.db2.gz PGZKXTOGCMQLMF-NWDGAFQWSA-N 1 2 234.343 1.917 20 10 BDCDLO CN(Cc1c[nH+]c[nH]1)c1ccc2c(c1)OCO2 ZINC000776102164 585690087 /nfs/dbraw/zinc/69/00/87/585690087.db2.gz MWNLZIKTOGUCMP-UHFFFAOYSA-N 1 2 231.255 1.775 20 10 BDCDLO CN(Cc1c[nH]c[nH+]1)c1ccc2c(c1)OCO2 ZINC000776102164 585690088 /nfs/dbraw/zinc/69/00/88/585690088.db2.gz MWNLZIKTOGUCMP-UHFFFAOYSA-N 1 2 231.255 1.775 20 10 BDCDLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1O ZINC000780947529 585786982 /nfs/dbraw/zinc/78/69/82/585786982.db2.gz MGZVKGKOGIYSJW-UHFFFAOYSA-N 1 2 247.254 1.059 20 10 BDCDLO OC[C@]1(F)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000802660334 586308799 /nfs/dbraw/zinc/30/87/99/586308799.db2.gz IPYSWVVXOGMASC-LBPRGKRZSA-N 1 2 243.253 1.438 20 10 BDCDLO OC[C@]1(F)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000802660334 586308801 /nfs/dbraw/zinc/30/88/01/586308801.db2.gz IPYSWVVXOGMASC-LBPRGKRZSA-N 1 2 243.253 1.438 20 10 BDCDLO C[C@@H](O)C[N@@H+](Cc1ccccc1O)CC(F)F ZINC000825098699 587303656 /nfs/dbraw/zinc/30/36/56/587303656.db2.gz MMNDIWHGXMCKJT-SECBINFHSA-N 1 2 245.269 1.840 20 10 BDCDLO C[C@@H](O)C[N@H+](Cc1ccccc1O)CC(F)F ZINC000825098699 587303658 /nfs/dbraw/zinc/30/36/58/587303658.db2.gz MMNDIWHGXMCKJT-SECBINFHSA-N 1 2 245.269 1.840 20 10 BDCDLO CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000850374033 588541586 /nfs/dbraw/zinc/54/15/86/588541586.db2.gz UFVSPXGBFBURLK-SNVBAGLBSA-N 1 2 240.259 1.161 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+]1CCn2ccnc2C1 ZINC000876676636 590229738 /nfs/dbraw/zinc/22/97/38/590229738.db2.gz SVGYSFOITRZKNL-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1cccc(O)c1C[N@H+]1CCn2ccnc2C1 ZINC000876676636 590229739 /nfs/dbraw/zinc/22/97/39/590229739.db2.gz SVGYSFOITRZKNL-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877467642 590333880 /nfs/dbraw/zinc/33/38/80/590333880.db2.gz LNBVZBAUVHKQJK-APPZFPTMSA-N 1 2 243.253 1.626 20 10 BDCDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877467642 590333882 /nfs/dbraw/zinc/33/38/82/590333882.db2.gz LNBVZBAUVHKQJK-APPZFPTMSA-N 1 2 243.253 1.626 20 10 BDCDLO CC1(O)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000877581212 590365456 /nfs/dbraw/zinc/36/54/56/590365456.db2.gz QXANQYSDPMPFQP-UHFFFAOYSA-N 1 2 227.691 1.612 20 10 BDCDLO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(F)c(F)c2O)C1 ZINC000877593802 590369641 /nfs/dbraw/zinc/36/96/41/590369641.db2.gz ZAOCDDPKBLWKJG-LYWQIFSTSA-N 1 2 243.253 1.673 20 10 BDCDLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)c(O)c1 ZINC000877616537 590375188 /nfs/dbraw/zinc/37/51/88/590375188.db2.gz DJMBBKAYPNNYQS-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Cc1ccc(C[N@H+]2CCn3nncc3C2)c(O)c1 ZINC000877616537 590375189 /nfs/dbraw/zinc/37/51/89/590375189.db2.gz DJMBBKAYPNNYQS-UHFFFAOYSA-N 1 2 244.298 1.308 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCOC1 ZINC000162872385 635144779 /nfs/dbraw/zinc/14/47/79/635144779.db2.gz JLHVRUKTIBACLQ-SECBINFHSA-N 1 2 227.691 1.924 20 10 BDCDLO OCCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000162824253 635132385 /nfs/dbraw/zinc/13/23/85/635132385.db2.gz XYRJPYVQEGJRCO-UHFFFAOYSA-N 1 2 245.706 1.144 20 10 BDCDLO OCC1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000162869865 635145947 /nfs/dbraw/zinc/14/59/47/635145947.db2.gz LXZMTWPFTQOBCU-UHFFFAOYSA-N 1 2 241.718 1.908 20 10 BDCDLO C[N@@H+](Cc1ccccc1O)Cc1ncccn1 ZINC000192102829 641961616 /nfs/dbraw/zinc/96/16/16/641961616.db2.gz ULBGPMCECQXKRU-UHFFFAOYSA-N 1 2 229.283 1.814 20 10 BDCDLO C[N@H+](Cc1ccccc1O)Cc1ncccn1 ZINC000192102829 641961620 /nfs/dbraw/zinc/96/16/20/641961620.db2.gz ULBGPMCECQXKRU-UHFFFAOYSA-N 1 2 229.283 1.814 20 10 BDCDLO c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)c[nH]1 ZINC000112344923 643333942 /nfs/dbraw/zinc/33/39/42/643333942.db2.gz JSUJMTSDOIJYEZ-UHFFFAOYSA-N 1 2 229.283 1.634 20 10 BDCDLO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817980956 644994256 /nfs/dbraw/zinc/99/42/56/644994256.db2.gz YOMMZIUDLFVWSL-PSASIEDQSA-N 1 2 226.295 1.919 20 10 BDCDLO C[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000708411533 712194170 /nfs/dbraw/zinc/19/41/70/712194170.db2.gz AUPMNLDLWKVSMF-UHFFFAOYSA-N 1 2 242.269 1.418 20 10 BDCDLO CN(C)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398370372 711409616 /nfs/dbraw/zinc/40/96/16/711409616.db2.gz QQMCIRFSGZUOIS-UHFFFAOYSA-N 1 2 231.303 1.161 20 10 BDCDLO OC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708441770 712194775 /nfs/dbraw/zinc/19/47/75/712194775.db2.gz LBCPTKKQRVXUJH-WKFQBHICSA-N 1 2 243.253 1.531 20 10 BDCDLO C[C@H](O)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487008 712211115 /nfs/dbraw/zinc/21/11/15/712211115.db2.gz UVOKSGYXNQJEJU-ZETCQYMHSA-N 1 2 245.269 1.919 20 10 BDCDLO CC1(C[NH3+])CN(Cc2c(O)cc(F)cc2F)C1 ZINC001206722624 968441931 /nfs/dbraw/zinc/44/19/31/968441931.db2.gz DQTWAZIVVIYILK-UHFFFAOYSA-N 1 2 242.269 1.451 20 10 BDCDLO C[N@@H+](Cc1cc(O)c(O)c(O)c1)C1(C)COC1 ZINC001233016711 978411002 /nfs/dbraw/zinc/41/10/02/978411002.db2.gz LSJAVFUGADOASG-UHFFFAOYSA-N 1 2 239.271 1.024 20 10 BDCDLO Oc1cc(F)cc(F)c1C[NH+]1CCC(O)CC1 ZINC001140579785 960441508 /nfs/dbraw/zinc/44/15/08/960441508.db2.gz GPMFUCQOIMIJNG-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO Cc1c(O)ccc(C[NH+]2CCN(C#N)CC2)c1O ZINC001140751178 960554877 /nfs/dbraw/zinc/55/48/77/960554877.db2.gz MGAUVHIKWHXBFE-UHFFFAOYSA-N 1 2 247.298 1.005 20 10 BDCDLO Oc1cc(O)c(CCNc2cccc[nH+]2)cc1O ZINC001168011241 963309999 /nfs/dbraw/zinc/30/99/99/963309999.db2.gz XBCAZLQRORQHRE-UHFFFAOYSA-N 1 2 246.266 1.853 20 10 BDCDLO CCOc1cccc(C[NH+]2CCC(=O)CC2)c1O ZINC001203602281 966702777 /nfs/dbraw/zinc/70/27/77/966702777.db2.gz MKBJHCARPATCKM-UHFFFAOYSA-N 1 2 249.310 1.956 20 10 BDCDLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001203634770 966715282 /nfs/dbraw/zinc/71/52/82/966715282.db2.gz USLDVEZZINUIKG-WCQYABFASA-N 1 2 235.283 1.374 20 10 BDCDLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001203634770 966715289 /nfs/dbraw/zinc/71/52/89/966715289.db2.gz USLDVEZZINUIKG-WCQYABFASA-N 1 2 235.283 1.374 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)[C@@H](C)CO1 ZINC001203880878 966808236 /nfs/dbraw/zinc/80/82/36/966808236.db2.gz JMODZXGQXBZPKD-VHSXEESVSA-N 1 2 237.299 1.707 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)[C@@H](C)CO1 ZINC001203880878 966808246 /nfs/dbraw/zinc/80/82/46/966808246.db2.gz JMODZXGQXBZPKD-VHSXEESVSA-N 1 2 237.299 1.707 20 10 BDCDLO C[C@]1([NH3+])CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001204782262 967165126 /nfs/dbraw/zinc/16/51/26/967165126.db2.gz BOCPYRFQTUOHHJ-LBPRGKRZSA-N 1 2 242.269 1.594 20 10 BDCDLO C[NH+](C)Cc1cn(CCc2ccc(N)cc2)nn1 ZINC001254081065 969483778 /nfs/dbraw/zinc/48/37/78/969483778.db2.gz JTOVGSBARFIQTG-UHFFFAOYSA-N 1 2 245.330 1.165 20 10 BDCDLO C[N@H+](Cc1cc(O)c(O)c(O)c1)C1(C)COC1 ZINC001233016711 978410998 /nfs/dbraw/zinc/41/09/98/978410998.db2.gz LSJAVFUGADOASG-UHFFFAOYSA-N 1 2 239.271 1.024 20 10 BDCDLO C[N@H+](CCF)Cc1cc(O)c(O)c(O)c1 ZINC001233016886 978414484 /nfs/dbraw/zinc/41/44/84/978414484.db2.gz BDEOUNXTLIUAQP-UHFFFAOYSA-N 1 2 215.224 1.205 20 10 BDCDLO C[N@@H+](CCF)Cc1cc(O)c(O)c(O)c1 ZINC001233016886 978414487 /nfs/dbraw/zinc/41/44/87/978414487.db2.gz BDEOUNXTLIUAQP-UHFFFAOYSA-N 1 2 215.224 1.205 20 10 BDCDLO COc1ccc(O)c(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC001203669939 980558295 /nfs/dbraw/zinc/55/82/95/980558295.db2.gz IQBPYSQKIYISPK-SNVBAGLBSA-N 1 2 249.310 1.954 20 10 BDCDLO COc1ccc(O)c(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC001203669939 980558299 /nfs/dbraw/zinc/55/82/99/980558299.db2.gz IQBPYSQKIYISPK-SNVBAGLBSA-N 1 2 249.310 1.954 20 10 BDCDLO c1nnc(C[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC001474306230 983902016 /nfs/dbraw/zinc/90/20/16/983902016.db2.gz HJIRSHMWCFECBK-UHFFFAOYSA-N 1 2 244.298 1.420 20 10 BDCDLO CCOC1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137831672 990853262 /nfs/dbraw/zinc/85/32/62/990853262.db2.gz JNQAHLDVODTEKF-UHFFFAOYSA-N 1 2 225.263 1.752 20 10 BDCDLO C[NH+]1CC2(CN(Cc3cccc(F)c3O)C2)C1 ZINC001138131112 990886360 /nfs/dbraw/zinc/88/63/60/990886360.db2.gz QOULGDHXUKAGIV-UHFFFAOYSA-N 1 2 236.290 1.279 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001138128447 990886549 /nfs/dbraw/zinc/88/65/49/990886549.db2.gz KSRWSHUAKBTUQM-AOOOYVTPSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001138128447 990886553 /nfs/dbraw/zinc/88/65/53/990886553.db2.gz KSRWSHUAKBTUQM-AOOOYVTPSA-N 1 2 223.247 1.504 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057795 991510451 /nfs/dbraw/zinc/51/04/51/991510451.db2.gz MQVODNGBCCPTIF-VIFPVBQESA-N 1 2 237.274 1.942 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057795 991510458 /nfs/dbraw/zinc/51/04/58/991510458.db2.gz MQVODNGBCCPTIF-VIFPVBQESA-N 1 2 237.274 1.942 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001140059212 991511648 /nfs/dbraw/zinc/51/16/48/991511648.db2.gz ZNQMVEIPWDKHTP-PHIMTYICSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001140059212 991511657 /nfs/dbraw/zinc/51/16/57/991511657.db2.gz ZNQMVEIPWDKHTP-PHIMTYICSA-N 1 2 223.247 1.504 20 10 BDCDLO CCc1nc(C[N@H+](C)Cc2ccccc2O)no1 ZINC000111235171 344584616 /nfs/dbraw/zinc/58/46/16/344584616.db2.gz HPGVCWDZKJNQGV-UHFFFAOYSA-N 1 2 247.298 1.970 20 10 BDCDLO CCc1nc(C[N@@H+](C)Cc2ccccc2O)no1 ZINC000111235171 344584620 /nfs/dbraw/zinc/58/46/20/344584620.db2.gz HPGVCWDZKJNQGV-UHFFFAOYSA-N 1 2 247.298 1.970 20 10 BDCDLO Cc1cccc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000276264032 179100735 /nfs/dbraw/zinc/10/07/35/179100735.db2.gz QGRCRIVOVXAMJQ-SNVBAGLBSA-N 1 2 246.314 1.680 20 10 BDCDLO OC[C@@H]1CC(F)(F)C[N@@H+]1Cc1ccccc1O ZINC000364838838 183116896 /nfs/dbraw/zinc/11/68/96/183116896.db2.gz AHIXAIXJFKJYMW-JTQLQIEISA-N 1 2 243.253 1.594 20 10 BDCDLO OC[C@@H]1CC(F)(F)C[N@H+]1Cc1ccccc1O ZINC000364838838 183116899 /nfs/dbraw/zinc/11/68/99/183116899.db2.gz AHIXAIXJFKJYMW-JTQLQIEISA-N 1 2 243.253 1.594 20 10 BDCDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(F)cc1O ZINC000184698456 384640017 /nfs/dbraw/zinc/64/00/17/384640017.db2.gz XDESEPYKEZSQGV-ZETCQYMHSA-N 1 2 249.232 1.810 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179710335 385486216 /nfs/dbraw/zinc/48/62/16/385486216.db2.gz FYHRQNVMLRRPKN-UHFFFAOYSA-N 1 2 243.690 1.650 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179710335 385486219 /nfs/dbraw/zinc/48/62/19/385486219.db2.gz FYHRQNVMLRRPKN-UHFFFAOYSA-N 1 2 243.690 1.650 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1cccc(F)c1O ZINC000272224697 385886170 /nfs/dbraw/zinc/88/61/70/385886170.db2.gz CPYHCTJVAVTZKJ-UHFFFAOYSA-N 1 2 227.235 1.136 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000272224697 385886175 /nfs/dbraw/zinc/88/61/75/385886175.db2.gz CPYHCTJVAVTZKJ-UHFFFAOYSA-N 1 2 227.235 1.136 20 10 BDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366554796 386832104 /nfs/dbraw/zinc/83/21/04/386832104.db2.gz CFIRKGOSTHLVRM-GXTWGEPZSA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366554796 386832111 /nfs/dbraw/zinc/83/21/11/386832111.db2.gz CFIRKGOSTHLVRM-GXTWGEPZSA-N 1 2 249.310 1.764 20 10 BDCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2n[nH]cc21 ZINC000282818741 398069273 /nfs/dbraw/zinc/06/92/73/398069273.db2.gz PTZUZWVHZHZHED-ONEGZZNKSA-N 1 2 243.270 1.125 20 10 BDCDLO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366544852 175259686 /nfs/dbraw/zinc/25/96/86/175259686.db2.gz NZJIBSVPSTYRFM-CMPLNLGQSA-N 1 2 235.283 1.374 20 10 BDCDLO COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366544852 175259687 /nfs/dbraw/zinc/25/96/87/175259687.db2.gz NZJIBSVPSTYRFM-CMPLNLGQSA-N 1 2 235.283 1.374 20 10 BDCDLO C[C@H]1C[N@H+](CCSc2nccs2)CCO1 ZINC000188301864 177254052 /nfs/dbraw/zinc/25/40/52/177254052.db2.gz UQZFLIUHNPCBSL-VIFPVBQESA-N 1 2 244.385 1.956 20 10 BDCDLO C[C@H]1C[N@@H+](CCSc2nccs2)CCO1 ZINC000188301864 177254054 /nfs/dbraw/zinc/25/40/54/177254054.db2.gz UQZFLIUHNPCBSL-VIFPVBQESA-N 1 2 244.385 1.956 20 10 BDCDLO C[C@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC000165414090 177292217 /nfs/dbraw/zinc/29/22/17/177292217.db2.gz CMPPSUUUYGJYMW-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC000165414090 177292218 /nfs/dbraw/zinc/29/22/18/177292218.db2.gz CMPPSUUUYGJYMW-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO COc1cccc(O)c1C[NH2+]Cc1cc(C)on1 ZINC000725848626 582904232 /nfs/dbraw/zinc/90/42/32/582904232.db2.gz ZDMLNGHVKNCERF-UHFFFAOYSA-N 1 2 248.282 1.987 20 10 BDCDLO CCOc1ccc(O)c(C[NH2+]Cc2c[nH]nn2)c1 ZINC000858197417 588938492 /nfs/dbraw/zinc/93/84/92/588938492.db2.gz DJKXXUPDTADIOC-UHFFFAOYSA-N 1 2 248.286 1.199 20 10 BDCDLO CCOc1ccc(O)c(C[NH2+]Cc2cn[nH]n2)c1 ZINC000858197417 588938493 /nfs/dbraw/zinc/93/84/93/588938493.db2.gz DJKXXUPDTADIOC-UHFFFAOYSA-N 1 2 248.286 1.199 20 10 BDCDLO Oc1ccccc1C[NH+]1CC(OCC(F)F)C1 ZINC000839138847 585094352 /nfs/dbraw/zinc/09/43/52/585094352.db2.gz UVIRUQOUIBULKM-UHFFFAOYSA-N 1 2 243.253 1.858 20 10 BDCDLO COc1ccc2c(c1)CCN2Cc1[nH+]ccn1C ZINC000750521542 585216415 /nfs/dbraw/zinc/21/64/15/585216415.db2.gz RYAIQFRIQFUODU-UHFFFAOYSA-N 1 2 243.310 1.991 20 10 BDCDLO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1O ZINC000817977640 586861230 /nfs/dbraw/zinc/86/12/30/586861230.db2.gz MFCQYIGPYXNUKX-XDRUHAPNSA-N 1 2 236.290 1.400 20 10 BDCDLO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043843 587938985 /nfs/dbraw/zinc/93/89/85/587938985.db2.gz XIJVCPFKTOKFHU-SNVBAGLBSA-N 1 2 240.734 1.887 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1O)C1CC([NH3+])C1 ZINC000843125620 588084065 /nfs/dbraw/zinc/08/40/65/588084065.db2.gz ZASJWVLEHBPITQ-UHFFFAOYSA-N 1 2 224.279 1.453 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1O)C1CC([NH3+])C1 ZINC000843125620 588084067 /nfs/dbraw/zinc/08/40/67/588084067.db2.gz ZASJWVLEHBPITQ-UHFFFAOYSA-N 1 2 224.279 1.453 20 10 BDCDLO O=C(C1=CC(=O)CS1)N1CCc2[nH]c[nH+]c2C1 ZINC000861762796 589177192 /nfs/dbraw/zinc/17/71/92/589177192.db2.gz GCOHHZMSDUEPHQ-UHFFFAOYSA-N 1 2 249.295 1.375 20 10 BDCDLO O=C(C1=CC(=O)CS1)N1CCc2[nH+]c[nH]c2C1 ZINC000861762796 589177193 /nfs/dbraw/zinc/17/71/93/589177193.db2.gz GCOHHZMSDUEPHQ-UHFFFAOYSA-N 1 2 249.295 1.375 20 10 BDCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c[nH]nn1 ZINC000862424516 589211642 /nfs/dbraw/zinc/21/16/42/589211642.db2.gz RCWFEYWURXPZSQ-UHFFFAOYSA-N 1 2 245.330 1.469 20 10 BDCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn[nH]n1 ZINC000862424516 589211643 /nfs/dbraw/zinc/21/16/43/589211643.db2.gz RCWFEYWURXPZSQ-UHFFFAOYSA-N 1 2 245.330 1.469 20 10 BDCDLO CC1([NH2+]Cc2ccc(F)c(F)c2O)COC1 ZINC000864049365 589334350 /nfs/dbraw/zinc/33/43/50/589334350.db2.gz GTKFGNCAFNNLDH-UHFFFAOYSA-N 1 2 229.226 1.549 20 10 BDCDLO COC(=O)C[N@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876799997 590243202 /nfs/dbraw/zinc/24/32/02/590243202.db2.gz FIBGYOUFAKFLAT-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)C[N@@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876799997 590243203 /nfs/dbraw/zinc/24/32/03/590243203.db2.gz FIBGYOUFAKFLAT-UHFFFAOYSA-N 1 2 249.310 1.838 20 10 BDCDLO COC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877476644 590335810 /nfs/dbraw/zinc/33/58/10/590335810.db2.gz JUGWXXDXRPFSCF-VIFPVBQESA-N 1 2 223.272 1.352 20 10 BDCDLO Cn1nccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703342 590395792 /nfs/dbraw/zinc/39/57/92/590395792.db2.gz CFTAVYSVZFDYED-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1nccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703342 590395795 /nfs/dbraw/zinc/39/57/95/590395795.db2.gz CFTAVYSVZFDYED-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO CCn1nncc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702918 590395865 /nfs/dbraw/zinc/39/58/65/590395865.db2.gz JZBLDIFNLMOSNM-UHFFFAOYSA-N 1 2 244.298 1.519 20 10 BDCDLO CCn1nncc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702918 590395869 /nfs/dbraw/zinc/39/58/69/590395869.db2.gz JZBLDIFNLMOSNM-UHFFFAOYSA-N 1 2 244.298 1.519 20 10 BDCDLO COC(=O)[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000879650918 590843992 /nfs/dbraw/zinc/84/39/92/590843992.db2.gz WYSNYYPVYGJVGW-TVQRCGJNSA-N 1 2 249.310 1.994 20 10 BDCDLO COC[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894857782 635956735 /nfs/dbraw/zinc/95/67/35/635956735.db2.gz SQPALSOTBOMLJH-SNVBAGLBSA-N 1 2 243.253 1.891 20 10 BDCDLO COC[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894857782 635956743 /nfs/dbraw/zinc/95/67/43/635956743.db2.gz SQPALSOTBOMLJH-SNVBAGLBSA-N 1 2 243.253 1.891 20 10 BDCDLO Cc1nc(C[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000223660493 635374908 /nfs/dbraw/zinc/37/49/08/635374908.db2.gz YKGANLGKKPKGFT-QMMMGPOBSA-N 1 2 233.271 1.934 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)C1CC1 ZINC000165163956 640542539 /nfs/dbraw/zinc/54/25/39/640542539.db2.gz FNWQPGVTVMBCCT-NSHDSACASA-N 1 2 241.718 1.906 20 10 BDCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(N)=O ZINC000381262499 710614438 /nfs/dbraw/zinc/61/44/38/710614438.db2.gz SJWPFIDGUUJDFF-RXMQYKEDSA-N 1 2 246.669 1.148 20 10 BDCDLO CC1(CO)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508579 961467481 /nfs/dbraw/zinc/46/74/81/961467481.db2.gz DFYAAGZMLDVINZ-UHFFFAOYSA-N 1 2 243.253 1.485 20 10 BDCDLO CCN(Cc1ccccc1O)[C@H]1CC[N@H+](C)C1 ZINC000710529725 962404934 /nfs/dbraw/zinc/40/49/34/962404934.db2.gz CGHPCSGEWDQLKY-ZDUSSCGKSA-N 1 2 234.343 1.918 20 10 BDCDLO CCN(Cc1ccccc1O)[C@H]1CC[N@@H+](C)C1 ZINC000710529725 962404940 /nfs/dbraw/zinc/40/49/40/962404940.db2.gz CGHPCSGEWDQLKY-ZDUSSCGKSA-N 1 2 234.343 1.918 20 10 BDCDLO [NH3+][C@]12C[C@H]1CN(Cc1ccc(F)c(F)c1O)C2 ZINC001236022326 966233786 /nfs/dbraw/zinc/23/37/86/966233786.db2.gz DGDRKXKRJDNJEN-UFBFGSQYSA-N 1 2 240.253 1.203 20 10 BDCDLO [NH3+][C@@]12C[C@@H]1CN(Cc1c(F)ccc(F)c1O)C2 ZINC001236032117 966248721 /nfs/dbraw/zinc/24/87/21/966248721.db2.gz YITDROGCHDAXFT-JMCQJSRRSA-N 1 2 240.253 1.203 20 10 BDCDLO Oc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203652031 966724264 /nfs/dbraw/zinc/72/42/64/966724264.db2.gz ZMDXKLCOIACUDK-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203652031 966724272 /nfs/dbraw/zinc/72/42/72/966724272.db2.gz ZMDXKLCOIACUDK-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(F)c(F)c1O ZINC001205196878 967424078 /nfs/dbraw/zinc/42/40/78/967424078.db2.gz CXYQXQZHUBWWHU-GMSGAONNSA-N 1 2 242.269 1.592 20 10 BDCDLO C[N@@H+]1CCC12CN(Cc1cccc(F)c1O)C2 ZINC001276537392 968810152 /nfs/dbraw/zinc/81/01/52/968810152.db2.gz GHHQAOYZPBRQAL-UHFFFAOYSA-N 1 2 236.290 1.421 20 10 BDCDLO C[N@H+]1CCC12CN(Cc1cccc(F)c1O)C2 ZINC001276537392 968810163 /nfs/dbraw/zinc/81/01/63/968810163.db2.gz GHHQAOYZPBRQAL-UHFFFAOYSA-N 1 2 236.290 1.421 20 10 BDCDLO Oc1c(Cl)cccc1C[NH+]1CC2(COC2)C1 ZINC001231910165 977799505 /nfs/dbraw/zinc/79/95/05/977799505.db2.gz XHLXXTRGRXLNPS-UHFFFAOYSA-N 1 2 239.702 1.878 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCCCC23COC3)cc1O ZINC001203882153 982580966 /nfs/dbraw/zinc/58/09/66/982580966.db2.gz FDPXZWIAFCZOLX-UHFFFAOYSA-N 1 2 249.310 1.853 20 10 BDCDLO Oc1ccc(C[N@H+]2CCCCC23COC3)cc1O ZINC001203882153 982580976 /nfs/dbraw/zinc/58/09/76/982580976.db2.gz FDPXZWIAFCZOLX-UHFFFAOYSA-N 1 2 249.310 1.853 20 10 BDCDLO CC[N@H+](Cc1ccc(O)c(O)c1)C1COC1 ZINC001203882164 982581720 /nfs/dbraw/zinc/58/17/20/982581720.db2.gz FMKQXBIVBXWYIX-UHFFFAOYSA-N 1 2 223.272 1.319 20 10 BDCDLO CC[N@@H+](Cc1ccc(O)c(O)c1)C1COC1 ZINC001203882164 982581729 /nfs/dbraw/zinc/58/17/29/982581729.db2.gz FMKQXBIVBXWYIX-UHFFFAOYSA-N 1 2 223.272 1.319 20 10 BDCDLO CCNC(=O)C[N@H+](C)Cc1c(O)cccc1F ZINC001137831707 990854443 /nfs/dbraw/zinc/85/44/43/990854443.db2.gz KQEXVSYOBJQEGL-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO CCNC(=O)C[N@@H+](C)Cc1c(O)cccc1F ZINC001137831707 990854446 /nfs/dbraw/zinc/85/44/46/990854446.db2.gz KQEXVSYOBJQEGL-UHFFFAOYSA-N 1 2 240.278 1.099 20 10 BDCDLO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1O ZINC001138128743 990886386 /nfs/dbraw/zinc/88/63/86/990886386.db2.gz WUDFRURHRBCNRV-QWRGUYRKSA-N 1 2 236.290 1.420 20 10 BDCDLO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1O ZINC001138128743 990886389 /nfs/dbraw/zinc/88/63/89/990886389.db2.gz WUDFRURHRBCNRV-QWRGUYRKSA-N 1 2 236.290 1.420 20 10 BDCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1O ZINC001138128743 990886392 /nfs/dbraw/zinc/88/63/92/990886392.db2.gz WUDFRURHRBCNRV-QWRGUYRKSA-N 1 2 236.290 1.420 20 10 BDCDLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1O ZINC001138128743 990886395 /nfs/dbraw/zinc/88/63/95/990886395.db2.gz WUDFRURHRBCNRV-QWRGUYRKSA-N 1 2 236.290 1.420 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053100522 384763481 /nfs/dbraw/zinc/76/34/81/384763481.db2.gz ICMWNKSNPASTOZ-UHFFFAOYSA-N 1 2 236.315 1.357 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053100522 384763488 /nfs/dbraw/zinc/76/34/88/384763488.db2.gz ICMWNKSNPASTOZ-UHFFFAOYSA-N 1 2 236.315 1.357 20 10 BDCDLO Oc1c(F)cccc1C[NH+]1CC(n2ccnn2)C1 ZINC000378543558 387788950 /nfs/dbraw/zinc/78/89/50/387788950.db2.gz WXYIWCDENCROGN-UHFFFAOYSA-N 1 2 248.261 1.180 20 10 BDCDLO C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273435645 176706854 /nfs/dbraw/zinc/70/68/54/176706854.db2.gz WWHNQNDCKOLWAB-HTQZYQBOSA-N 1 2 240.259 1.332 20 10 BDCDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877467645 583316299 /nfs/dbraw/zinc/31/62/99/583316299.db2.gz LNBVZBAUVHKQJK-VXNVDRBHSA-N 1 2 243.253 1.626 20 10 BDCDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877467645 583316303 /nfs/dbraw/zinc/31/63/03/583316303.db2.gz LNBVZBAUVHKQJK-VXNVDRBHSA-N 1 2 243.253 1.626 20 10 BDCDLO COc1cc(C)cc(C[NH2+]Cc2c[nH]nn2)c1O ZINC000895381061 583662338 /nfs/dbraw/zinc/66/23/38/583662338.db2.gz XJTFFSJFSBVADU-UHFFFAOYSA-N 1 2 248.286 1.117 20 10 BDCDLO COc1cc(C)cc(C[NH2+]Cc2cn[nH]n2)c1O ZINC000895381061 583662340 /nfs/dbraw/zinc/66/23/40/583662340.db2.gz XJTFFSJFSBVADU-UHFFFAOYSA-N 1 2 248.286 1.117 20 10 BDCDLO C[N@H+](Cc1ccc(F)c(F)c1O)CC(C)(C)O ZINC000876735626 584886795 /nfs/dbraw/zinc/88/67/95/584886795.db2.gz AABJQTUKGLVFDG-UHFFFAOYSA-N 1 2 245.269 1.873 20 10 BDCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)CC(C)(C)O ZINC000876735626 584886796 /nfs/dbraw/zinc/88/67/96/584886796.db2.gz AABJQTUKGLVFDG-UHFFFAOYSA-N 1 2 245.269 1.873 20 10 BDCDLO Cc1c[nH+]ccc1NC(=O)C1=CC(=O)CS1 ZINC000732289014 584935959 /nfs/dbraw/zinc/93/59/59/584935959.db2.gz AZQFKTCBJIUNSJ-UHFFFAOYSA-N 1 2 234.280 1.831 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000769469063 585557788 /nfs/dbraw/zinc/55/77/88/585557788.db2.gz RFMMUKZWFOEEQR-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1ccc(O)c(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000769469063 585557789 /nfs/dbraw/zinc/55/77/89/585557789.db2.gz RFMMUKZWFOEEQR-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO C[C@@H]([NH2+]CCN(C)C)c1cc(F)cc(F)c1O ZINC000806171653 586407038 /nfs/dbraw/zinc/40/70/38/586407038.db2.gz QTTWISVUTBSEMY-MRVPVSSYSA-N 1 2 244.285 1.883 20 10 BDCDLO CN1CC2(C[NH+](Cc3ccccc3O)C2)OC1=O ZINC000817413912 586801479 /nfs/dbraw/zinc/80/14/79/586801479.db2.gz LQQQGJDKQJLMOB-UHFFFAOYSA-N 1 2 248.282 1.029 20 10 BDCDLO C[C@@H](NCC(F)(F)C[NH3+])c1ccc(F)cc1O ZINC000817966683 586850873 /nfs/dbraw/zinc/85/08/73/586850873.db2.gz SYJXODUVVMSLOQ-SSDOTTSWSA-N 1 2 248.248 1.776 20 10 BDCDLO C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064142 587942233 /nfs/dbraw/zinc/94/22/33/587942233.db2.gz UJBGNCBHADCKJF-VIFPVBQESA-N 1 2 225.311 1.329 20 10 BDCDLO Oc1c(C[N@H+]2CC[C@H](O)C2)ccc(F)c1F ZINC000876590095 590219414 /nfs/dbraw/zinc/21/94/14/590219414.db2.gz RQPFTBOQDFEZIT-QMMMGPOBSA-N 1 2 229.226 1.237 20 10 BDCDLO Oc1c(C[N@@H+]2CC[C@H](O)C2)ccc(F)c1F ZINC000876590095 590219416 /nfs/dbraw/zinc/21/94/16/590219416.db2.gz RQPFTBOQDFEZIT-QMMMGPOBSA-N 1 2 229.226 1.237 20 10 BDCDLO Cc1cccc(O)c1C[N@H+](C)Cc1nnc[nH]1 ZINC000876748483 590237246 /nfs/dbraw/zinc/23/72/46/590237246.db2.gz CXTKVJACQUFGMQ-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+](C)Cc1nnc[nH]1 ZINC000876748483 590237247 /nfs/dbraw/zinc/23/72/47/590237247.db2.gz CXTKVJACQUFGMQ-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO CC[C@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877555898 590356950 /nfs/dbraw/zinc/35/69/50/590356950.db2.gz GJQQTSLITAQCPA-SECBINFHSA-N 1 2 245.269 1.873 20 10 BDCDLO CC[C@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877555898 590356953 /nfs/dbraw/zinc/35/69/53/590356953.db2.gz GJQQTSLITAQCPA-SECBINFHSA-N 1 2 245.269 1.873 20 10 BDCDLO CC[N@@H+]1CC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000882486606 591360700 /nfs/dbraw/zinc/36/07/00/591360700.db2.gz NABNGVJHMNYTQA-QMMMGPOBSA-N 1 2 240.328 1.278 20 10 BDCDLO CC[N@H+]1CC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000882486606 591360705 /nfs/dbraw/zinc/36/07/05/591360705.db2.gz NABNGVJHMNYTQA-QMMMGPOBSA-N 1 2 240.328 1.278 20 10 BDCDLO Cc1cc(O)c(CN2CC[NH+](C)CC2)cc1C ZINC000125076860 634460674 /nfs/dbraw/zinc/46/06/74/634460674.db2.gz IEKLEOSKEXLWNI-UHFFFAOYSA-N 1 2 234.343 1.756 20 10 BDCDLO C[C@H](CC(N)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000162705793 633035084 /nfs/dbraw/zinc/03/50/84/633035084.db2.gz OOCJZEMIPIUDIB-SSDOTTSWSA-N 1 2 242.706 1.399 20 10 BDCDLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)OC ZINC000305450816 642660434 /nfs/dbraw/zinc/66/04/34/642660434.db2.gz LQAHRUFDDCFUKX-GXSJLCMTSA-N 1 2 237.299 1.994 20 10 BDCDLO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)OC ZINC000305450819 642661965 /nfs/dbraw/zinc/66/19/65/642661965.db2.gz LQAHRUFDDCFUKX-MWLCHTKSSA-N 1 2 237.299 1.994 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]1O ZINC000393521445 711559893 /nfs/dbraw/zinc/55/98/93/711559893.db2.gz PJJVQSDZDCYTAK-NXEZZACHSA-N 1 2 227.691 1.659 20 10 BDCDLO CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708440492 712195203 /nfs/dbraw/zinc/19/52/03/712195203.db2.gz BYXZJMZRHLDZQX-JTQLQIEISA-N 1 2 242.269 1.464 20 10 BDCDLO OCC1C[NH+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937727 980113673 /nfs/dbraw/zinc/11/36/73/980113673.db2.gz UINSBVWKBMNKAL-UHFFFAOYSA-N 1 2 245.681 1.609 20 10 BDCDLO Nc1ccc(CO[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001217854324 971445072 /nfs/dbraw/zinc/44/50/72/971445072.db2.gz FWDYTLNNWXZXFC-LLVKDONJSA-N 1 2 242.269 1.783 20 10 BDCDLO Nc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218270520 971670062 /nfs/dbraw/zinc/67/00/62/971670062.db2.gz DGLQVEZHUGOOKP-SNVBAGLBSA-N 1 2 228.242 1.645 20 10 BDCDLO c1snnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398266937 958174818 /nfs/dbraw/zinc/17/48/18/958174818.db2.gz XTTBLAHFJSGXSQ-UHFFFAOYSA-N 1 2 247.323 1.763 20 10 BDCDLO C[NH+](C)C1CN(Cc2ccc(F)c(F)c2O)C1 ZINC001233074337 978460603 /nfs/dbraw/zinc/46/06/03/978460603.db2.gz NQMLEMMDTQHHJQ-UHFFFAOYSA-N 1 2 242.269 1.416 20 10 BDCDLO Cc1cccc(O)c1C[N@@H+]1CCCC(=O)C1 ZINC001237488485 979917846 /nfs/dbraw/zinc/91/78/46/979917846.db2.gz YVYSVIRKHFAEAE-UHFFFAOYSA-N 1 2 219.284 1.866 20 10 BDCDLO Cc1cccc(O)c1C[N@H+]1CCCC(=O)C1 ZINC001237488485 979917852 /nfs/dbraw/zinc/91/78/52/979917852.db2.gz YVYSVIRKHFAEAE-UHFFFAOYSA-N 1 2 219.284 1.866 20 10 BDCDLO CN(C)c1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001203937865 982954145 /nfs/dbraw/zinc/95/41/45/982954145.db2.gz WFJYUPKTMFMXDK-UHFFFAOYSA-N 1 2 232.327 1.727 20 10 BDCDLO C[N@@H+]1CCC12CN(Cc1c(O)cccc1F)C2 ZINC001276354275 986052976 /nfs/dbraw/zinc/05/29/76/986052976.db2.gz OVSOTAWSQLTYQB-UHFFFAOYSA-N 1 2 236.290 1.421 20 10 BDCDLO C[N@H+]1CCC12CN(Cc1c(O)cccc1F)C2 ZINC001276354275 986052993 /nfs/dbraw/zinc/05/29/93/986052993.db2.gz OVSOTAWSQLTYQB-UHFFFAOYSA-N 1 2 236.290 1.421 20 10 BDCDLO COC(=O)C1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138123875 990883604 /nfs/dbraw/zinc/88/36/04/990883604.db2.gz PKAZDMWURFZSIR-UHFFFAOYSA-N 1 2 239.246 1.136 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140056294 991511062 /nfs/dbraw/zinc/51/10/62/991511062.db2.gz PUOYOGXIBNNEEW-VXGBXAGGSA-N 1 2 237.274 1.895 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140056294 991511075 /nfs/dbraw/zinc/51/10/75/991511075.db2.gz PUOYOGXIBNNEEW-VXGBXAGGSA-N 1 2 237.274 1.895 20 10 BDCDLO O=C(Cc1[nH]cc[nH+]1)N1Cc2cccc(O)c2C1 ZINC001302788622 995128876 /nfs/dbraw/zinc/12/88/76/995128876.db2.gz YZEMRJZAWOGKNM-UHFFFAOYSA-N 1 2 243.266 1.200 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000042303891 343434075 /nfs/dbraw/zinc/43/40/75/343434075.db2.gz PRSDWRZFCDQMCP-SNVBAGLBSA-N 1 2 236.315 1.404 20 10 BDCDLO CNC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162832742 384693407 /nfs/dbraw/zinc/69/34/07/384693407.db2.gz CUJIUPRDKVVFPO-UHFFFAOYSA-N 1 2 242.706 1.271 20 10 BDCDLO CC[N@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000272274169 385890175 /nfs/dbraw/zinc/89/01/75/385890175.db2.gz LWZGXUDWDZKLHX-UHFFFAOYSA-N 1 2 241.262 1.526 20 10 BDCDLO CC[N@@H+](CC(=O)OC)Cc1cc(F)ccc1O ZINC000272274169 385890180 /nfs/dbraw/zinc/89/01/80/385890180.db2.gz LWZGXUDWDZKLHX-UHFFFAOYSA-N 1 2 241.262 1.526 20 10 BDCDLO COC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000234872500 386110200 /nfs/dbraw/zinc/11/02/00/386110200.db2.gz QOXVBVJDRYCFNF-SECBINFHSA-N 1 2 245.706 1.143 20 10 BDCDLO C[C@@H]([NH2+]CCCO)c1ccc(F)c(F)c1O ZINC000191181393 386771175 /nfs/dbraw/zinc/77/11/75/386771175.db2.gz DSTRZXYIGOLRML-SSDOTTSWSA-N 1 2 231.242 1.703 20 10 BDCDLO C[N@@H+]1CCN(Cc2ccccc2O)C(C)(C)C1 ZINC000271474367 173090828 /nfs/dbraw/zinc/09/08/28/173090828.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 1 2 234.343 1.918 20 10 BDCDLO C[N@H+]1CCN(Cc2ccccc2O)C(C)(C)C1 ZINC000271474367 173090832 /nfs/dbraw/zinc/09/08/32/173090832.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 1 2 234.343 1.918 20 10 BDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366556108 175157331 /nfs/dbraw/zinc/15/73/31/175157331.db2.gz FULLDAUCYQJQMN-YPMHNXCESA-N 1 2 235.283 1.374 20 10 BDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366556108 175157334 /nfs/dbraw/zinc/15/73/34/175157334.db2.gz FULLDAUCYQJQMN-YPMHNXCESA-N 1 2 235.283 1.374 20 10 BDCDLO C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000902408630 584575794 /nfs/dbraw/zinc/57/57/94/584575794.db2.gz ZSASWMKLYRTFCK-ZETCQYMHSA-N 1 2 242.269 1.812 20 10 BDCDLO C[C@H]([NH2+]CCCON)c1cc(F)cc(F)c1O ZINC000902426920 584594236 /nfs/dbraw/zinc/59/42/36/584594236.db2.gz YYLBXVPZPDMXSF-ZETCQYMHSA-N 1 2 246.257 1.601 20 10 BDCDLO C[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775639490 585682018 /nfs/dbraw/zinc/68/20/18/585682018.db2.gz XDAIRXGUMLVYCS-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO C[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775639490 585682019 /nfs/dbraw/zinc/68/20/19/585682019.db2.gz XDAIRXGUMLVYCS-UHFFFAOYSA-N 1 2 233.670 1.609 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000775648588 585682612 /nfs/dbraw/zinc/68/26/12/585682612.db2.gz DEQHFAWYFZPYLU-VIFPVBQESA-N 1 2 245.681 1.751 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000775648588 585682613 /nfs/dbraw/zinc/68/26/13/585682613.db2.gz DEQHFAWYFZPYLU-VIFPVBQESA-N 1 2 245.681 1.751 20 10 BDCDLO Oc1c(F)cccc1C[NH2+]C(CF)CF ZINC000824554120 587275867 /nfs/dbraw/zinc/27/58/67/587275867.db2.gz BDEFWJFVBYLEOR-UHFFFAOYSA-N 1 2 219.206 1.929 20 10 BDCDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000834905794 587770368 /nfs/dbraw/zinc/77/03/68/587770368.db2.gz LJEXDUAEJVWNTA-CNUIFLNQSA-N 1 2 243.253 1.844 20 10 BDCDLO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000850578466 588561662 /nfs/dbraw/zinc/56/16/62/588561662.db2.gz LJEXDUAEJVWNTA-FTLITQJKSA-N 1 2 243.253 1.844 20 10 BDCDLO Oc1c(F)cccc1C[NH+]1CC2(C1)CCCO2 ZINC000862484269 589216951 /nfs/dbraw/zinc/21/69/51/589216951.db2.gz IJAFZVARLRLEJS-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876566035 590216984 /nfs/dbraw/zinc/21/69/84/590216984.db2.gz WCAJOCWXFYTWPL-UHFFFAOYSA-N 1 2 237.299 1.696 20 10 BDCDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(O)c1O ZINC000126442679 590308033 /nfs/dbraw/zinc/30/80/33/590308033.db2.gz QVBUGQTTWMVNIC-UHFFFAOYSA-N 1 2 247.254 1.093 20 10 BDCDLO Cn1cc[nH+]c1CN1Cc2cccc(O)c2C1 ZINC000877703372 590395723 /nfs/dbraw/zinc/39/57/23/590395723.db2.gz FGTSEZLSKHFFFL-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1ccnc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703372 590395727 /nfs/dbraw/zinc/39/57/27/590395727.db2.gz FGTSEZLSKHFFFL-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO Cn1ccnc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703372 590395729 /nfs/dbraw/zinc/39/57/29/590395729.db2.gz FGTSEZLSKHFFFL-UHFFFAOYSA-N 1 2 229.283 1.642 20 10 BDCDLO NOCCC[NH2+]Cc1cccc(Cl)c1O ZINC000904455813 637416613 /nfs/dbraw/zinc/41/66/13/637416613.db2.gz BUGGLHIVWCVJMJ-UHFFFAOYSA-N 1 2 230.695 1.416 20 10 BDCDLO Oc1c(F)cccc1C[NH+]1CCOCC1 ZINC000165409256 640568527 /nfs/dbraw/zinc/56/85/27/640568527.db2.gz UPTDILJVIPXZND-UHFFFAOYSA-N 1 2 211.236 1.364 20 10 BDCDLO CC(=O)c1cc(F)cc(Cn2cc[nH+]c2)c1O ZINC000079396634 644178216 /nfs/dbraw/zinc/17/82/16/644178216.db2.gz WKYGCGFTVWXZLV-UHFFFAOYSA-N 1 2 234.230 1.979 20 10 BDCDLO C[N@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CCOC1 ZINC000703489203 712077089 /nfs/dbraw/zinc/07/70/89/712077089.db2.gz FBWFJXAHXVHPMC-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CCOC1 ZINC000703489203 712077092 /nfs/dbraw/zinc/07/70/92/712077092.db2.gz FBWFJXAHXVHPMC-SECBINFHSA-N 1 2 243.253 1.891 20 10 BDCDLO CC(=O)C[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258552 977982943 /nfs/dbraw/zinc/98/29/43/977982943.db2.gz AMWSIDFOKATEQU-UHFFFAOYSA-N 1 2 243.690 1.772 20 10 BDCDLO CC(=O)C[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258552 977982950 /nfs/dbraw/zinc/98/29/50/977982950.db2.gz AMWSIDFOKATEQU-UHFFFAOYSA-N 1 2 243.690 1.772 20 10 BDCDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156215 960891785 /nfs/dbraw/zinc/89/17/85/960891785.db2.gz HHAZDNDIGREZLV-SECBINFHSA-N 1 2 235.283 1.651 20 10 BDCDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cc(O)ccc1O ZINC001141156215 960891786 /nfs/dbraw/zinc/89/17/86/960891786.db2.gz HHAZDNDIGREZLV-SECBINFHSA-N 1 2 235.283 1.651 20 10 BDCDLO Oc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1O ZINC001203875081 966805098 /nfs/dbraw/zinc/80/50/98/966805098.db2.gz GWTVYFSRWOXXOG-SECBINFHSA-N 1 2 211.236 1.642 20 10 BDCDLO Oc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1O ZINC001203875081 966805106 /nfs/dbraw/zinc/80/51/06/966805106.db2.gz GWTVYFSRWOXXOG-SECBINFHSA-N 1 2 211.236 1.642 20 10 BDCDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203879865 966806846 /nfs/dbraw/zinc/80/68/46/966806846.db2.gz JLGRVIMFLVPLGA-LLVKDONJSA-N 1 2 237.299 1.709 20 10 BDCDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879865 966806852 /nfs/dbraw/zinc/80/68/52/966806852.db2.gz JLGRVIMFLVPLGA-LLVKDONJSA-N 1 2 237.299 1.709 20 10 BDCDLO C[C@@]1([NH3+])CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001204782261 967163728 /nfs/dbraw/zinc/16/37/28/967163728.db2.gz BOCPYRFQTUOHHJ-GFCCVEGCSA-N 1 2 242.269 1.594 20 10 BDCDLO Nc1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)cc1 ZINC001206683928 968434026 /nfs/dbraw/zinc/43/40/26/968434026.db2.gz NPEXBEVKJQFPGU-LLVKDONJSA-N 1 2 241.285 1.437 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233482785 978612081 /nfs/dbraw/zinc/61/20/81/978612081.db2.gz BSBMSLZOTWYKLG-QMMMGPOBSA-N 1 2 239.271 1.024 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233482785 978612085 /nfs/dbraw/zinc/61/20/85/978612085.db2.gz BSBMSLZOTWYKLG-QMMMGPOBSA-N 1 2 239.271 1.024 20 10 BDCDLO CC[N@H+](CC(=O)OC)Cc1ccc(O)cc1O ZINC001204282115 978949290 /nfs/dbraw/zinc/94/92/90/978949290.db2.gz NODIOHSKSOKAQV-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(O)cc1O ZINC001204282115 978949295 /nfs/dbraw/zinc/94/92/95/978949295.db2.gz NODIOHSKSOKAQV-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO CC1(CO)C[NH+](Cc2c(O)cccc2F)C1 ZINC001137832046 990856612 /nfs/dbraw/zinc/85/66/12/990856612.db2.gz YHDXOSSJYRBCHB-UHFFFAOYSA-N 1 2 225.263 1.346 20 10 BDCDLO Oc1c(F)cccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138131255 990887763 /nfs/dbraw/zinc/88/77/63/990887763.db2.gz UJKMUVBFEKGKHE-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO Oc1c(F)cccc1C[N@H+]1CCOC2(CC2)C1 ZINC001138131255 990887764 /nfs/dbraw/zinc/88/77/64/990887764.db2.gz UJKMUVBFEKGKHE-UHFFFAOYSA-N 1 2 237.274 1.896 20 10 BDCDLO C[N@H+](Cc1cccc(F)c1O)C1COC1 ZINC001138127831 990887842 /nfs/dbraw/zinc/88/78/42/990887842.db2.gz RFWODXFIUIMHRC-UHFFFAOYSA-N 1 2 211.236 1.362 20 10 BDCDLO C[N@@H+](Cc1cccc(F)c1O)C1COC1 ZINC001138127831 990887843 /nfs/dbraw/zinc/88/78/43/990887843.db2.gz RFWODXFIUIMHRC-UHFFFAOYSA-N 1 2 211.236 1.362 20 10 BDCDLO CC1(O)C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140461696 991644183 /nfs/dbraw/zinc/64/41/83/991644183.db2.gz REQCKGJZGALKOB-UHFFFAOYSA-N 1 2 227.691 1.612 20 10 BDCDLO COCC1C[NH+](Cc2c(O)cc(F)cc2F)C1 ZINC001140580098 991674930 /nfs/dbraw/zinc/67/49/30/991674930.db2.gz RBQKARXKPPUCIC-UHFFFAOYSA-N 1 2 243.253 1.749 20 10 BDCDLO Cc1cccc(C[N@H+](C)Cc2nnc[nH]2)c1O ZINC000180324516 179070225 /nfs/dbraw/zinc/07/02/25/179070225.db2.gz ZNQRBZFVXUXQCW-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO Cc1cccc(C[N@@H+](C)Cc2nnc[nH]2)c1O ZINC000180324516 179070228 /nfs/dbraw/zinc/07/02/28/179070228.db2.gz ZNQRBZFVXUXQCW-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO CC(C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162864170 202084282 /nfs/dbraw/zinc/08/42/82/202084282.db2.gz LKEVNRRPHAMGJF-UHFFFAOYSA-N 1 2 229.707 1.906 20 10 BDCDLO Oc1cc2c(cc1C[NH2+]Cc1ccn[nH]1)OCO2 ZINC000042880407 183260757 /nfs/dbraw/zinc/26/07/57/183260757.db2.gz CFTUVEZKLSRACR-UHFFFAOYSA-N 1 2 247.254 1.134 20 10 BDCDLO Oc1ccccc1CN1CC[NH+](C2CC2)CC1 ZINC000179556306 183301846 /nfs/dbraw/zinc/30/18/46/183301846.db2.gz HXHHIOJZNOIOKA-UHFFFAOYSA-N 1 2 232.327 1.672 20 10 BDCDLO Cc1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184686674 384637388 /nfs/dbraw/zinc/63/73/88/384637388.db2.gz RUPJKDOVZVQWHP-SECBINFHSA-N 1 2 245.269 1.979 20 10 BDCDLO Cn1ncnc1C[N@H+](C)Cc1ccccc1O ZINC000177154054 385191224 /nfs/dbraw/zinc/19/12/24/385191224.db2.gz RDPJJSPNXLMDMS-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO Cn1ncnc1C[N@@H+](C)Cc1ccccc1O ZINC000177154054 385191227 /nfs/dbraw/zinc/19/12/27/385191227.db2.gz RDPJJSPNXLMDMS-UHFFFAOYSA-N 1 2 232.287 1.153 20 10 BDCDLO Cc1ccc(O)c(C[NH2+][C@]2(C)CCOC2=O)c1 ZINC000289840667 386362372 /nfs/dbraw/zinc/36/23/72/386362372.db2.gz OXQACPOZKJRCRW-CYBMUJFWSA-N 1 2 235.283 1.496 20 10 BDCDLO C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187813573 386602639 /nfs/dbraw/zinc/60/26/39/386602639.db2.gz ONJAIXBLYYSIQM-BQBZGAKWSA-N 1 2 231.242 1.702 20 10 BDCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366554800 386830493 /nfs/dbraw/zinc/83/04/93/386830493.db2.gz CFIRKGOSTHLVRM-OCCSQVGLSA-N 1 2 249.310 1.764 20 10 BDCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366554800 386830498 /nfs/dbraw/zinc/83/04/98/386830498.db2.gz CFIRKGOSTHLVRM-OCCSQVGLSA-N 1 2 249.310 1.764 20 10 BDCDLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1ccccc1O ZINC000287761029 176039355 /nfs/dbraw/zinc/03/93/55/176039355.db2.gz MGVBECVMTKBQBX-JTQLQIEISA-N 1 2 246.314 1.714 20 10 BDCDLO C[C@@H]1C[N@H+](CCSc2nccs2)CCO1 ZINC000188301841 176292418 /nfs/dbraw/zinc/29/24/18/176292418.db2.gz UQZFLIUHNPCBSL-SECBINFHSA-N 1 2 244.385 1.956 20 10 BDCDLO C[C@@H]1C[N@@H+](CCSc2nccs2)CCO1 ZINC000188301841 176292420 /nfs/dbraw/zinc/29/24/20/176292420.db2.gz UQZFLIUHNPCBSL-SECBINFHSA-N 1 2 244.385 1.956 20 10 BDCDLO Cc1nnc(C[N@H+](C)Cc2ccccc2O)n1C ZINC000111235191 588731542 /nfs/dbraw/zinc/73/15/42/588731542.db2.gz XBHFVUXVEOTJMA-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1nnc(C[N@@H+](C)Cc2ccccc2O)n1C ZINC000111235191 588731543 /nfs/dbraw/zinc/73/15/43/588731543.db2.gz XBHFVUXVEOTJMA-UHFFFAOYSA-N 1 2 246.314 1.461 20 10 BDCDLO Cc1cn[nH]c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702743 583343630 /nfs/dbraw/zinc/34/36/30/583343630.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO Cc1c[nH]nc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702743 583343632 /nfs/dbraw/zinc/34/36/32/583343632.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO Cc1c[nH]nc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702743 583343635 /nfs/dbraw/zinc/34/36/35/583343635.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N 1 2 229.283 1.940 20 10 BDCDLO COc1cccc(O)c1C[NH+]1CC(OC)C1 ZINC000839129052 585093619 /nfs/dbraw/zinc/09/36/19/585093619.db2.gz VTUNDEISQNJURU-UHFFFAOYSA-N 1 2 223.272 1.231 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000775647847 585682325 /nfs/dbraw/zinc/68/23/25/585682325.db2.gz DEQHFAWYFZPYLU-SECBINFHSA-N 1 2 245.681 1.751 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000775647847 585682326 /nfs/dbraw/zinc/68/23/26/585682326.db2.gz DEQHFAWYFZPYLU-SECBINFHSA-N 1 2 245.681 1.751 20 10 BDCDLO C[N@H+](CCCO)Cc1cccc(Cl)c1O ZINC000799739503 586195767 /nfs/dbraw/zinc/19/57/67/586195767.db2.gz ILGUGZKBUQIOJF-UHFFFAOYSA-N 1 2 229.707 1.860 20 10 BDCDLO C[N@@H+](CCCO)Cc1cccc(Cl)c1O ZINC000799739503 586195768 /nfs/dbraw/zinc/19/57/68/586195768.db2.gz ILGUGZKBUQIOJF-UHFFFAOYSA-N 1 2 229.707 1.860 20 10 BDCDLO CC[C@@H](NCC[NH2+]C)c1ccc(F)cc1O ZINC000817953273 586848659 /nfs/dbraw/zinc/84/86/59/586848659.db2.gz YHGLUSDNJWNEQV-LLVKDONJSA-N 1 2 226.295 1.791 20 10 BDCDLO COc1ccc(O)c(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000826769659 587361798 /nfs/dbraw/zinc/36/17/98/587361798.db2.gz QNFSAWHBKJVMOW-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000826769659 587361799 /nfs/dbraw/zinc/36/17/99/587361799.db2.gz QNFSAWHBKJVMOW-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO COc1ccc(O)c(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000826769659 587361800 /nfs/dbraw/zinc/36/18/00/587361800.db2.gz QNFSAWHBKJVMOW-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO COc1ccc(O)c(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000826769659 587361801 /nfs/dbraw/zinc/36/18/01/587361801.db2.gz QNFSAWHBKJVMOW-UHFFFAOYSA-N 1 2 247.298 1.756 20 10 BDCDLO NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077371 588452356 /nfs/dbraw/zinc/45/23/56/588452356.db2.gz FGPLACLFOUMQQN-UHFFFAOYSA-N 1 2 234.086 1.682 20 10 BDCDLO Oc1c(C[NH+]2CCC(O)CC2)ccc(F)c1F ZINC000876540631 590212341 /nfs/dbraw/zinc/21/23/41/590212341.db2.gz KXWHDENLEIECMM-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO CC1(O)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000877580650 590364758 /nfs/dbraw/zinc/36/47/58/590364758.db2.gz FPUGSYUYCBTXKD-UHFFFAOYSA-N 1 2 227.691 1.612 20 10 BDCDLO CC1(O)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000877581309 590365830 /nfs/dbraw/zinc/36/58/30/590365830.db2.gz WEXLXWJEXOKURE-UHFFFAOYSA-N 1 2 211.236 1.098 20 10 BDCDLO C[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1O ZINC000309504504 632433142 /nfs/dbraw/zinc/43/31/42/632433142.db2.gz VOIKYISXMGILMJ-MRVPVSSYSA-N 1 2 228.723 1.825 20 10 BDCDLO C[C@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162865032 637339922 /nfs/dbraw/zinc/33/99/22/637339922.db2.gz QSWCCWFAYVVAJC-QMMMGPOBSA-N 1 2 229.707 1.906 20 10 BDCDLO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817980963 644994054 /nfs/dbraw/zinc/99/40/54/644994054.db2.gz YOMMZIUDLFVWSL-WPRPVWTQSA-N 1 2 226.295 1.919 20 10 BDCDLO CN1CC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000712563955 712446322 /nfs/dbraw/zinc/44/63/22/712446322.db2.gz BIMRDNZKCLVRMI-SNVBAGLBSA-N 1 2 240.734 1.839 20 10 BDCDLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1O ZINC000398086528 711400777 /nfs/dbraw/zinc/40/07/77/711400777.db2.gz QBAJLFACMNUVRV-JTQLQIEISA-N 1 2 247.302 1.157 20 10 BDCDLO C[C@@H]([NH2+]Cc1cn[nH]n1)c1ccccc1O ZINC000398319860 711407835 /nfs/dbraw/zinc/40/78/35/711407835.db2.gz YSHHTVNQAXGNTJ-MRVPVSSYSA-N 1 2 218.260 1.361 20 10 BDCDLO C[C@@H]([NH2+]Cc1c[nH]nn1)c1ccccc1O ZINC000398319860 711407833 /nfs/dbraw/zinc/40/78/33/711407833.db2.gz YSHHTVNQAXGNTJ-MRVPVSSYSA-N 1 2 218.260 1.361 20 10 BDCDLO CN1CC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000712563950 712446691 /nfs/dbraw/zinc/44/66/91/712446691.db2.gz BIMRDNZKCLVRMI-JTQLQIEISA-N 1 2 240.734 1.839 20 10 BDCDLO C[C@H](O)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877320233 712630807 /nfs/dbraw/zinc/63/08/07/712630807.db2.gz CHABGQLNJSPMJX-ZETCQYMHSA-N 1 2 231.242 1.483 20 10 BDCDLO C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877320233 712630809 /nfs/dbraw/zinc/63/08/09/712630809.db2.gz CHABGQLNJSPMJX-ZETCQYMHSA-N 1 2 231.242 1.483 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+]2CCn3nccc3C2)c1 ZINC001140623959 960464311 /nfs/dbraw/zinc/46/43/11/960464311.db2.gz YYSYLNNFTQHECL-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Cc1ccc(O)c(C[N@H+]2CCn3nccc3C2)c1 ZINC001140623959 960464320 /nfs/dbraw/zinc/46/43/20/960464320.db2.gz YYSYLNNFTQHECL-UHFFFAOYSA-N 1 2 243.310 1.913 20 10 BDCDLO Oc1ccc(O)c(C[N@@H+]2CCOCC23CC3)c1 ZINC001141161434 960896841 /nfs/dbraw/zinc/89/68/41/960896841.db2.gz ROBQDLWCAVOYHT-UHFFFAOYSA-N 1 2 235.283 1.463 20 10 BDCDLO Oc1ccc(O)c(C[N@H+]2CCOCC23CC3)c1 ZINC001141161434 960896843 /nfs/dbraw/zinc/89/68/43/960896843.db2.gz ROBQDLWCAVOYHT-UHFFFAOYSA-N 1 2 235.283 1.463 20 10 BDCDLO CC(C)OC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141162042 960899482 /nfs/dbraw/zinc/89/94/82/960899482.db2.gz KDSBQDVGKIXNGL-UHFFFAOYSA-N 1 2 237.299 1.707 20 10 BDCDLO Oc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000714555889 964099310 /nfs/dbraw/zinc/09/93/10/964099310.db2.gz NNELIZSSOWEZOV-AOOOYVTPSA-N 1 2 213.227 1.884 20 10 BDCDLO Oc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000714555889 964099325 /nfs/dbraw/zinc/09/93/25/964099325.db2.gz NNELIZSSOWEZOV-AOOOYVTPSA-N 1 2 213.227 1.884 20 10 BDCDLO CC1(C)COCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882239 966809253 /nfs/dbraw/zinc/80/92/53/966809253.db2.gz GNGROEAGVLCCRU-UHFFFAOYSA-N 1 2 237.299 1.709 20 10 BDCDLO CC1(C)COCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882239 966809256 /nfs/dbraw/zinc/80/92/56/966809256.db2.gz GNGROEAGVLCCRU-UHFFFAOYSA-N 1 2 237.299 1.709 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCOCC23CCC3)cc1O ZINC001203882718 966809859 /nfs/dbraw/zinc/80/98/59/966809859.db2.gz SMSQNOUIWXEWQI-UHFFFAOYSA-N 1 2 249.310 1.853 20 10 BDCDLO Oc1ccc(C[N@H+]2CCOCC23CCC3)cc1O ZINC001203882718 966809863 /nfs/dbraw/zinc/80/98/63/966809863.db2.gz SMSQNOUIWXEWQI-UHFFFAOYSA-N 1 2 249.310 1.853 20 10 BDCDLO CCOC(=O)C[N@H+](C)Cc1ccc(O)cc1O ZINC001204276283 966950279 /nfs/dbraw/zinc/95/02/79/966950279.db2.gz JHHKRDDZTSLMCK-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(O)cc1O ZINC001204276283 966950295 /nfs/dbraw/zinc/95/02/95/966950295.db2.gz JHHKRDDZTSLMCK-UHFFFAOYSA-N 1 2 239.271 1.093 20 10 BDCDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(N)cc1 ZINC001356083548 983571102 /nfs/dbraw/zinc/57/11/02/983571102.db2.gz SDZZHZKEWQZYQL-UHFFFAOYSA-N 1 2 216.288 1.624 20 10 BDCDLO CN(Cc1ccccc1O)C(=O)Cc1c[nH+]c[nH]1 ZINC001137345640 986815208 /nfs/dbraw/zinc/81/52/08/986815208.db2.gz QIBQACILMPDYOK-UHFFFAOYSA-N 1 2 245.282 1.316 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057794 991506763 /nfs/dbraw/zinc/50/67/63/991506763.db2.gz MQVODNGBCCPTIF-SECBINFHSA-N 1 2 237.274 1.942 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140057794 991506776 /nfs/dbraw/zinc/50/67/76/991506776.db2.gz MQVODNGBCCPTIF-SECBINFHSA-N 1 2 237.274 1.942 20 10 BDCDLO Oc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140461918 991643208 /nfs/dbraw/zinc/64/32/08/991643208.db2.gz YENILNAQXVKREH-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140461918 991643211 /nfs/dbraw/zinc/64/32/11/991643211.db2.gz YENILNAQXVKREH-GXSJLCMTSA-N 1 2 245.681 1.560 20 10 BDCDLO C[C@@H](CO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294423411 398262182 /nfs/dbraw/zinc/26/21/82/398262182.db2.gz WYQHXENVMCTBAJ-SSDOTTSWSA-N 1 2 247.697 1.903 20 10 BDCDLO Oc1ccc(Cl)cc1C[NH+]1CC(O)C1 ZINC000409422542 343813967 /nfs/dbraw/zinc/81/39/67/343813967.db2.gz FRKRRMQJJPJMRN-UHFFFAOYSA-N 1 2 213.664 1.222 20 10 BDCDLO Oc1cc2c(cc1C[NH2+]CC(F)F)OCO2 ZINC000147313172 183261347 /nfs/dbraw/zinc/26/13/47/183261347.db2.gz FWXSRHIKOJAWHU-UHFFFAOYSA-N 1 2 231.198 1.476 20 10 BDCDLO CN(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000234241136 386034147 /nfs/dbraw/zinc/03/41/47/386034147.db2.gz DKWPAWNPESHYFB-LBPRGKRZSA-N 1 2 238.306 1.667 20 10 BDCDLO CN(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000234241136 386034154 /nfs/dbraw/zinc/03/41/54/386034154.db2.gz DKWPAWNPESHYFB-LBPRGKRZSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1O ZINC000295987797 386708174 /nfs/dbraw/zinc/70/81/74/386708174.db2.gz PHEVGJFSEAUYGX-BIIVOSGPSA-N 1 2 243.253 1.844 20 10 BDCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000493849929 388360582 /nfs/dbraw/zinc/36/05/82/388360582.db2.gz SBYXKZZRJRJVOQ-PLNGDYQASA-N 1 2 228.255 1.481 20 10 BDCDLO C[C@H]1Cc2c(-c3[nH+]ccn3C)cccc2C(=O)N1 ZINC000656369663 411236394 /nfs/dbraw/zinc/23/63/94/411236394.db2.gz RHFNVUBRIVBXHG-VIFPVBQESA-N 1 2 241.294 1.762 20 10 BDCDLO CCOC(=O)C[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035081120 170218083 /nfs/dbraw/zinc/21/80/83/170218083.db2.gz XDXUYARMAVENIM-UHFFFAOYSA-N 1 2 248.326 1.796 20 10 BDCDLO CCOC(=O)C[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035081120 170218084 /nfs/dbraw/zinc/21/80/84/170218084.db2.gz XDXUYARMAVENIM-UHFFFAOYSA-N 1 2 248.326 1.796 20 10 BDCDLO CCn1ncnc1C[N@H+](C)Cc1ccccc1O ZINC000193426178 172279328 /nfs/dbraw/zinc/27/93/28/172279328.db2.gz IILMGEWWTLIWBD-UHFFFAOYSA-N 1 2 246.314 1.636 20 10 BDCDLO CCn1ncnc1C[N@@H+](C)Cc1ccccc1O ZINC000193426178 172279329 /nfs/dbraw/zinc/27/93/29/172279329.db2.gz IILMGEWWTLIWBD-UHFFFAOYSA-N 1 2 246.314 1.636 20 10 BDCDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000165410294 177264445 /nfs/dbraw/zinc/26/44/45/177264445.db2.gz BLWTXWIGOLVFBX-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000165410294 177264448 /nfs/dbraw/zinc/26/44/48/177264448.db2.gz BLWTXWIGOLVFBX-VIFPVBQESA-N 1 2 225.263 1.752 20 10 BDCDLO C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000853248278 588728791 /nfs/dbraw/zinc/72/87/91/588728791.db2.gz CVACAEBEKNKVHV-MRVPVSSYSA-N 1 2 228.723 1.743 20 10 BDCDLO O=C(N[C@H]1CCn2cc[nH+]c21)C1=CC(=O)CS1 ZINC000854684813 588801230 /nfs/dbraw/zinc/80/12/30/588801230.db2.gz GARLEBPVCBCOLI-QMMMGPOBSA-N 1 2 249.295 1.525 20 10 BDCDLO Oc1c(C[NH2+]C[C@H]2COCO2)ccc(F)c1F ZINC000894888928 583547320 /nfs/dbraw/zinc/54/73/20/583547320.db2.gz MFWXBHMCTVYEHG-QMMMGPOBSA-N 1 2 245.225 1.133 20 10 BDCDLO CC1(O)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894976637 583562303 /nfs/dbraw/zinc/56/23/03/583562303.db2.gz MORGQEHGGBINJB-UHFFFAOYSA-N 1 2 229.226 1.237 20 10 BDCDLO Oc1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc(F)c1F ZINC000895645665 583700768 /nfs/dbraw/zinc/70/07/68/583700768.db2.gz RZBGOFYUHCLHNF-UFBFGSQYSA-N 1 2 241.237 1.237 20 10 BDCDLO Oc1c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)ccc(F)c1F ZINC000895645665 583700771 /nfs/dbraw/zinc/70/07/71/583700771.db2.gz RZBGOFYUHCLHNF-UFBFGSQYSA-N 1 2 241.237 1.237 20 10 BDCDLO Cc1[nH]c(C(=O)NCc2ccccc2O)c[nH+]1 ZINC000731872351 584930108 /nfs/dbraw/zinc/93/01/08/584930108.db2.gz GLIJPJDBFXOWGC-UHFFFAOYSA-N 1 2 231.255 1.354 20 10 BDCDLO O=C(OCCn1cc[nH+]c1)c1cccc(O)c1O ZINC000758556721 585357141 /nfs/dbraw/zinc/35/71/41/585357141.db2.gz GIQABAQBLIIVSI-UHFFFAOYSA-N 1 2 248.238 1.151 20 10 BDCDLO COc1cccc(O)c1C[NH2+]CC(F)(F)CO ZINC000767194305 585515394 /nfs/dbraw/zinc/51/53/94/585515394.db2.gz JEIMYXCSFHJUKQ-UHFFFAOYSA-N 1 2 247.241 1.118 20 10 BDCDLO COC(=O)C[N@H+](C)Cc1c(O)cccc1OC ZINC000768401446 585538178 /nfs/dbraw/zinc/53/81/78/585538178.db2.gz RDEHBCVBCUGLGL-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO COC(=O)C[N@@H+](C)Cc1c(O)cccc1OC ZINC000768401446 585538179 /nfs/dbraw/zinc/53/81/79/585538179.db2.gz RDEHBCVBCUGLGL-UHFFFAOYSA-N 1 2 239.271 1.006 20 10 BDCDLO Cc1nonc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000809744194 586516728 /nfs/dbraw/zinc/51/67/28/586516728.db2.gz ZRLBORCVQMUPIU-UHFFFAOYSA-N 1 2 246.314 1.734 20 10 BDCDLO Cn1c[nH+]cc1CNC(=O)C1=CC(=O)CS1 ZINC000811589138 586561772 /nfs/dbraw/zinc/56/17/72/586561772.db2.gz MQSFTKRVOORLLW-UHFFFAOYSA-N 1 2 237.284 1.117 20 10 BDCDLO OC/C=C\C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826937653 587364906 /nfs/dbraw/zinc/36/49/06/587364906.db2.gz REPYYPGUEMUBTE-UPHRSURJSA-N 1 2 245.681 1.823 20 10 BDCDLO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000834905796 587770233 /nfs/dbraw/zinc/77/02/33/587770233.db2.gz LJEXDUAEJVWNTA-VDAHYXPESA-N 1 2 243.253 1.844 20 10 BDCDLO C[C@H](C[NH3+])N(C)Cc1cc(Cl)cc(F)c1O ZINC000843050857 588076608 /nfs/dbraw/zinc/07/66/08/588076608.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050857 588076610 /nfs/dbraw/zinc/07/66/10/588076610.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050857 588076612 /nfs/dbraw/zinc/07/66/12/588076612.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 1 2 246.713 1.964 20 10 BDCDLO CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077405 588452394 /nfs/dbraw/zinc/45/23/94/588452394.db2.gz GONCTEYQUABIMA-UHFFFAOYSA-N 1 2 248.113 1.943 20 10 BDCDLO C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652950 589307361 /nfs/dbraw/zinc/30/73/61/589307361.db2.gz ZXWVZMVVQYWXCI-ZETCQYMHSA-N 1 2 246.713 1.964 20 10 BDCDLO C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652950 589307363 /nfs/dbraw/zinc/30/73/63/589307363.db2.gz ZXWVZMVVQYWXCI-ZETCQYMHSA-N 1 2 246.713 1.964 20 10 BDCDLO Cc1nc(N(C)Cc2ccccc2O)nc(N)[nH+]1 ZINC000865646803 589454044 /nfs/dbraw/zinc/45/40/44/589454044.db2.gz FFJOPXHHYNNMBX-UHFFFAOYSA-N 1 2 245.286 1.104 20 10 BDCDLO Cc1nc(N)nc(N(C)Cc2ccccc2O)[nH+]1 ZINC000865646803 589454045 /nfs/dbraw/zinc/45/40/45/589454045.db2.gz FFJOPXHHYNNMBX-UHFFFAOYSA-N 1 2 245.286 1.104 20 10 BDCDLO OCC[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876579306 590217063 /nfs/dbraw/zinc/21/70/63/590217063.db2.gz DKXYPYOGXQTNKP-UHFFFAOYSA-N 1 2 243.253 1.627 20 10 BDCDLO Cc1cccc(O)c1C[NH+]1CCS(=O)CC1 ZINC000876692991 590231076 /nfs/dbraw/zinc/23/10/76/590231076.db2.gz LXBFUYSJYKDRAR-UHFFFAOYSA-N 1 2 239.340 1.265 20 10 BDCDLO CN(C)c1ccc(/C=C/C[NH+]2CC(C)(O)C2)cc1 ZINC000877581311 590365988 /nfs/dbraw/zinc/36/59/88/590365988.db2.gz WFYFEYVLZZCCMX-SNAWJCMRSA-N 1 2 246.354 1.832 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+]2Cc3cnn(C)c3C2)c1 ZINC000877632928 590378576 /nfs/dbraw/zinc/37/85/76/590378576.db2.gz RUBUXVDADNFNBK-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO Cc1ccc(O)c(C[N@H+]2Cc3cnn(C)c3C2)c1 ZINC000877632928 590378579 /nfs/dbraw/zinc/37/85/79/590378579.db2.gz RUBUXVDADNFNBK-UHFFFAOYSA-N 1 2 243.310 1.950 20 10 BDCDLO CC[N@@H+]1CC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000882486604 591362532 /nfs/dbraw/zinc/36/25/32/591362532.db2.gz NABNGVJHMNYTQA-MRVPVSSYSA-N 1 2 240.328 1.278 20 10 BDCDLO CC[N@H+]1CC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000882486604 591362537 /nfs/dbraw/zinc/36/25/37/591362537.db2.gz NABNGVJHMNYTQA-MRVPVSSYSA-N 1 2 240.328 1.278 20 10 BDCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000309528733 632468403 /nfs/dbraw/zinc/46/84/03/632468403.db2.gz CTCSXASJUHAYCC-NSHDSACASA-N 1 2 241.718 1.906 20 10 BDCDLO C[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1O ZINC000309504505 633938213 /nfs/dbraw/zinc/93/82/13/633938213.db2.gz VOIKYISXMGILMJ-QMMMGPOBSA-N 1 2 228.723 1.825 20 10 BDCDLO C[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703490642 712077239 /nfs/dbraw/zinc/07/72/39/712077239.db2.gz MYMAHEJHBDZIBO-UHFFFAOYSA-N 1 2 242.269 1.418 20 10 BDCDLO CN(Cc1cccc(F)c1O)[C@@H]1CC[N@H+](C)C1 ZINC000310487143 971973408 /nfs/dbraw/zinc/97/34/08/971973408.db2.gz GGDSNROVRBROFI-LLVKDONJSA-N 1 2 238.306 1.667 20 10 BDCDLO CN(Cc1cccc(F)c1O)[C@@H]1CC[N@@H+](C)C1 ZINC000310487143 971973412 /nfs/dbraw/zinc/97/34/12/971973412.db2.gz GGDSNROVRBROFI-LLVKDONJSA-N 1 2 238.306 1.667 20 10 BDCDLO CN1CC[C@@H]([N@H+](C)Cc2cccc(F)c2O)C1 ZINC000310487143 971973414 /nfs/dbraw/zinc/97/34/14/971973414.db2.gz GGDSNROVRBROFI-LLVKDONJSA-N 1 2 238.306 1.667 20 10 BDCDLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2O)C1 ZINC000310487143 971973420 /nfs/dbraw/zinc/97/34/20/971973420.db2.gz GGDSNROVRBROFI-LLVKDONJSA-N 1 2 238.306 1.667 20 10 BDCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141160213 960896720 /nfs/dbraw/zinc/89/67/20/960896720.db2.gz UGHSPCZQMHLTID-MRVPVSSYSA-N 1 2 239.271 1.091 20 10 BDCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141160213 960896724 /nfs/dbraw/zinc/89/67/24/960896724.db2.gz UGHSPCZQMHLTID-MRVPVSSYSA-N 1 2 239.271 1.091 20 10 BDCDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203883218 966809271 /nfs/dbraw/zinc/80/92/71/966809271.db2.gz GEPJVUFXGKPXEA-NSHDSACASA-N 1 2 235.283 1.651 20 10 BDCDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203883218 966809274 /nfs/dbraw/zinc/80/92/74/966809274.db2.gz GEPJVUFXGKPXEA-NSHDSACASA-N 1 2 235.283 1.651 20 10 BDCDLO CN(C)c1ccc(C[NH+]2CCN(C#N)CC2)cc1 ZINC001203935312 966824263 /nfs/dbraw/zinc/82/42/63/966824263.db2.gz CSAGISRLNGRXOZ-UHFFFAOYSA-N 1 2 244.342 1.351 20 10 BDCDLO Cc1nc(C[N@@H+]2CCc3cccc(O)c3C2)c[nH]1 ZINC001232464534 978112812 /nfs/dbraw/zinc/11/28/12/978112812.db2.gz GDTAOSRPLLLWLG-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1nc(C[N@H+]2CCc3cccc(O)c3C2)c[nH]1 ZINC001232464534 978112825 /nfs/dbraw/zinc/11/28/25/978112825.db2.gz GDTAOSRPLLLWLG-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)[nH]1 ZINC001232464534 978112829 /nfs/dbraw/zinc/11/28/29/978112829.db2.gz GDTAOSRPLLLWLG-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Cc1ncc(C[N@H+]2CCc3cccc(O)c3C2)[nH]1 ZINC001232464534 978112838 /nfs/dbraw/zinc/11/28/38/978112838.db2.gz GDTAOSRPLLLWLG-UHFFFAOYSA-N 1 2 243.310 1.982 20 10 BDCDLO Oc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC001204278639 978930423 /nfs/dbraw/zinc/93/04/23/978930423.db2.gz GQGRCBBVYXLVQG-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO Oc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC001204278639 978930429 /nfs/dbraw/zinc/93/04/29/978930429.db2.gz GQGRCBBVYXLVQG-UHFFFAOYSA-N 1 2 245.282 1.310 20 10 BDCDLO C[C@@H]1CN(Cc2cccc(F)c2O)CC[N@@H+]1C ZINC000160230847 982531963 /nfs/dbraw/zinc/53/19/63/982531963.db2.gz CPRXMVXGULJPPS-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1CN(Cc2cccc(F)c2O)CC[N@H+]1C ZINC000160230847 982531976 /nfs/dbraw/zinc/53/19/76/982531976.db2.gz CPRXMVXGULJPPS-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCN1C ZINC000160230847 982531986 /nfs/dbraw/zinc/53/19/86/982531986.db2.gz CPRXMVXGULJPPS-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1C ZINC000160230847 982531994 /nfs/dbraw/zinc/53/19/94/982531994.db2.gz CPRXMVXGULJPPS-SNVBAGLBSA-N 1 2 238.306 1.667 20 10 BDCDLO Nc1[nH+]cccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001243477027 985034537 /nfs/dbraw/zinc/03/45/37/985034537.db2.gz HFKSJWZJHCOGQE-UHFFFAOYSA-N 1 2 241.294 1.903 20 10 BDCDLO CCn1ccc(-c2c[nH+]c(N)c(C)c2)cc1=O ZINC001245539582 986926619 /nfs/dbraw/zinc/92/66/19/986926619.db2.gz GXCDESTYXBECTF-UHFFFAOYSA-N 1 2 229.283 1.821 20 10 BDCDLO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001137837630 990857991 /nfs/dbraw/zinc/85/79/91/990857991.db2.gz OKWUMFPPVDHDTC-IUCAKERBSA-N 1 2 223.247 1.504 20 10 BDCDLO Oc1cccc(F)c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001137837630 990857997 /nfs/dbraw/zinc/85/79/97/990857997.db2.gz OKWUMFPPVDHDTC-IUCAKERBSA-N 1 2 223.247 1.504 20 10 BDCDLO OCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293781140 183059534 /nfs/dbraw/zinc/05/95/34/183059534.db2.gz BAUIFUBPYBFHOJ-UHFFFAOYSA-N 1 2 233.670 1.657 20 10 BDCDLO OCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020596982 384626831 /nfs/dbraw/zinc/62/68/31/384626831.db2.gz FLPKVAMANMYKPF-UHFFFAOYSA-N 1 2 236.098 1.781 20 10 BDCDLO COC(=O)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000083355202 384761268 /nfs/dbraw/zinc/76/12/68/384761268.db2.gz JNLKUJPIGYMGAY-SSDOTTSWSA-N 1 2 227.235 1.182 20 10 BDCDLO Cc1ccc(O)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000127942159 384969349 /nfs/dbraw/zinc/96/93/49/384969349.db2.gz WCSVQYHCFNJHKL-UHFFFAOYSA-N 1 2 246.354 1.981 20 10 BDCDLO Cc1ccc(O)c(C[N@H+](C)Cc2nnc[nH]2)c1 ZINC000179797244 385491873 /nfs/dbraw/zinc/49/18/73/385491873.db2.gz BLOBJIWTWDEMHY-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2nnc[nH]2)c1 ZINC000179797244 385491876 /nfs/dbraw/zinc/49/18/76/385491876.db2.gz BLOBJIWTWDEMHY-UHFFFAOYSA-N 1 2 232.287 1.451 20 10 BDCDLO CC[N@H+](CC(N)=O)Cc1c(O)cccc1Cl ZINC000231829989 385823369 /nfs/dbraw/zinc/82/33/69/385823369.db2.gz RTKPNHUYGOJZAH-UHFFFAOYSA-N 1 2 242.706 1.353 20 10 BDCDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000186214141 387083307 /nfs/dbraw/zinc/08/33/07/387083307.db2.gz CYTSLGJPNJZSIG-JTQLQIEISA-N 1 2 246.314 1.680 20 10 BDCDLO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366556107 175158175 /nfs/dbraw/zinc/15/81/75/175158175.db2.gz FULLDAUCYQJQMN-WCQYABFASA-N 1 2 235.283 1.374 20 10 BDCDLO COc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366556107 175158176 /nfs/dbraw/zinc/15/81/76/175158176.db2.gz FULLDAUCYQJQMN-WCQYABFASA-N 1 2 235.283 1.374 20 10 BDCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000123385230 177059074 /nfs/dbraw/zinc/05/90/74/177059074.db2.gz AYLPATVYSGDERT-NSHDSACASA-N 1 2 247.342 1.073 20 10 BDCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000123385230 177059075 /nfs/dbraw/zinc/05/90/75/177059075.db2.gz AYLPATVYSGDERT-NSHDSACASA-N 1 2 247.342 1.073 20 10 BDCDLO C[N@@H+]1CCO[C@H](CSc2nccs2)C1 ZINC000727744580 583761833 /nfs/dbraw/zinc/76/18/33/583761833.db2.gz OZNLATDWADFCGQ-QMMMGPOBSA-N 1 2 230.358 1.566 20 10 BDCDLO C[N@H+]1CCO[C@H](CSc2nccs2)C1 ZINC000727744580 583761835 /nfs/dbraw/zinc/76/18/35/583761835.db2.gz OZNLATDWADFCGQ-QMMMGPOBSA-N 1 2 230.358 1.566 20 10 BDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CNOC1 ZINC000904425584 584881762 /nfs/dbraw/zinc/88/17/62/584881762.db2.gz RXLJAONWJJQRRN-QMMMGPOBSA-N 1 2 246.669 1.178 20 10 BDCDLO COCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756339206 585318070 /nfs/dbraw/zinc/31/80/70/585318070.db2.gz CJDXCMDCRLDQFL-QMMMGPOBSA-N 1 2 240.259 1.597 20 10 BDCDLO C[C@H]([NH2+][C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000774481028 585660187 /nfs/dbraw/zinc/66/01/87/585660187.db2.gz HBPYPHCFSVIIGM-GXFFZTMASA-N 1 2 248.326 1.719 20 10 BDCDLO C[C@@H]([NH2+][C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000774481030 585660242 /nfs/dbraw/zinc/66/02/42/585660242.db2.gz HBPYPHCFSVIIGM-MFKMUULPSA-N 1 2 248.326 1.719 20 10 BDCDLO CC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775639363 585682145 /nfs/dbraw/zinc/68/21/45/585682145.db2.gz VSDZSHSYIULCJV-UHFFFAOYSA-N 1 2 247.697 1.999 20 10 BDCDLO CC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775639363 585682146 /nfs/dbraw/zinc/68/21/46/585682146.db2.gz VSDZSHSYIULCJV-UHFFFAOYSA-N 1 2 247.697 1.999 20 10 BDCDLO C[C@@H]1[C@H](C)N(Cc2ccccc2O)CC[N@H+]1C ZINC000775985862 585688918 /nfs/dbraw/zinc/68/89/18/585688918.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 1 2 234.343 1.917 20 10 BDCDLO C[C@@H]1[C@H](C)N(Cc2ccccc2O)CC[N@@H+]1C ZINC000775985862 585688919 /nfs/dbraw/zinc/68/89/19/585688919.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 1 2 234.343 1.917 20 10 BDCDLO Oc1ccc(F)cc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000779021461 585744253 /nfs/dbraw/zinc/74/42/53/585744253.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N 1 2 247.273 1.813 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000779021461 585744254 /nfs/dbraw/zinc/74/42/54/585744254.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N 1 2 247.273 1.813 20 10 BDCDLO Oc1ccc(F)cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000779021461 585744256 /nfs/dbraw/zinc/74/42/56/585744256.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N 1 2 247.273 1.813 20 10 BDCDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793614913 586024163 /nfs/dbraw/zinc/02/41/63/586024163.db2.gz NAJWOIVMXYCELH-NWDGAFQWSA-N 1 2 249.310 1.682 20 10 BDCDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793614913 586024164 /nfs/dbraw/zinc/02/41/64/586024164.db2.gz NAJWOIVMXYCELH-NWDGAFQWSA-N 1 2 249.310 1.682 20 10 BDCDLO C[C@@H]([NH2+]CC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817934053 586843506 /nfs/dbraw/zinc/84/35/06/586843506.db2.gz AZWOYPLNDVNFLV-ZCFIWIBFSA-N 1 2 216.231 1.280 20 10 BDCDLO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1O ZINC000817977639 586862124 /nfs/dbraw/zinc/86/21/24/586862124.db2.gz MFCQYIGPYXNUKX-UVRHIYEWSA-N 1 2 236.290 1.400 20 10 BDCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825256996 587311242 /nfs/dbraw/zinc/31/12/42/587311242.db2.gz QHNCVLLUKRDOEW-DTORHVGOSA-N 1 2 227.691 1.659 20 10 BDCDLO COc1cccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1O ZINC000846148161 588258664 /nfs/dbraw/zinc/25/86/64/588258664.db2.gz XUFGKJLBMGEZGO-SECBINFHSA-N 1 2 247.298 1.975 20 10 BDCDLO Oc1c(C[N@H+]2CCC[C@@H](O)C2)ccc(F)c1F ZINC000876527345 590209134 /nfs/dbraw/zinc/20/91/34/590209134.db2.gz AXEDMAKIUSPEPL-SECBINFHSA-N 1 2 243.253 1.627 20 10 BDCDLO Oc1c(C[N@@H+]2CCC[C@@H](O)C2)ccc(F)c1F ZINC000876527345 590209135 /nfs/dbraw/zinc/20/91/35/590209135.db2.gz AXEDMAKIUSPEPL-SECBINFHSA-N 1 2 243.253 1.627 20 10 BDCDLO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876561435 590216014 /nfs/dbraw/zinc/21/60/14/590216014.db2.gz KBWXUPAJYJVPMC-SECBINFHSA-N 1 2 243.253 1.627 20 10 BDCDLO OC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876561435 590216015 /nfs/dbraw/zinc/21/60/15/590216015.db2.gz KBWXUPAJYJVPMC-SECBINFHSA-N 1 2 243.253 1.627 20 10 BDCDLO OC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876660520 590227485 /nfs/dbraw/zinc/22/74/85/590227485.db2.gz UUAVZFDMXLZSIA-QMMMGPOBSA-N 1 2 243.253 1.485 20 10 BDCDLO OC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876660520 590227486 /nfs/dbraw/zinc/22/74/86/590227486.db2.gz UUAVZFDMXLZSIA-QMMMGPOBSA-N 1 2 243.253 1.485 20 10 BDCDLO OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877045195 590274159 /nfs/dbraw/zinc/27/41/59/590274159.db2.gz RQYRTDCYVNXBQZ-SNVBAGLBSA-N 1 2 243.253 1.531 20 10 BDCDLO CC1([NH2+]Cc2cccc(Cl)c2O)COC1 ZINC000877691127 590392666 /nfs/dbraw/zinc/39/26/66/590392666.db2.gz JLHHVQXARZRXOV-UHFFFAOYSA-N 1 2 227.691 1.924 20 10 BDCDLO Cc1ccc(CN2CC[NH+](C)CC2)c(O)c1 ZINC000258232705 634601390 /nfs/dbraw/zinc/60/13/90/634601390.db2.gz YUPBKLBVZXHXQL-UHFFFAOYSA-N 1 2 220.316 1.448 20 10 BDCDLO [NH3+]C1(CNCc2c(O)ccc(Cl)c2F)CC1 ZINC000904443158 637410567 /nfs/dbraw/zinc/41/05/67/637410567.db2.gz HSGPPSAVINPKBP-UHFFFAOYSA-N 1 2 244.697 1.766 20 10 BDCDLO CCCOC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141160385 960894905 /nfs/dbraw/zinc/89/49/05/960894905.db2.gz WQDQNURFVGWMOF-UHFFFAOYSA-N 1 2 237.299 1.709 20 10 BDCDLO