smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000071029999 202339260 /nfs/dbraw/zinc/33/92/60/202339260.db2.gz LNNPXVXRLHGNGF-UHFFFAOYSA-N -1 2 333.728 2.010 10 0 EEAELM CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000354472288 466591132 /nfs/dbraw/zinc/59/11/32/466591132.db2.gz DYVPPWNFPZRCEF-HNNXBMFYSA-N -1 2 344.390 2.026 10 0 EEAELM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000583693257 468742128 /nfs/dbraw/zinc/74/21/28/468742128.db2.gz HSFVJUYBULDHDC-OAHLLOKOSA-N -1 2 327.402 2.152 10 0 EEAELM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777636143 577483782 /nfs/dbraw/zinc/48/37/82/577483782.db2.gz OCBWZOUKPPQNSK-UHFFFAOYSA-N -1 2 349.412 2.355 10 0 EEAELM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1s[n-]c(=O)c1Cl ZINC000356018396 153245913 /nfs/dbraw/zinc/24/59/13/153245913.db2.gz XRZWLJNVCMNKRX-UHFFFAOYSA-N -1 2 337.748 2.245 10 0 EEAELM CC(C)[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)[O-] ZINC000653542605 471659186 /nfs/dbraw/zinc/65/91/86/471659186.db2.gz WMABCPRWRBFISC-SECBINFHSA-N -1 2 340.430 2.167 10 0 EEAELM CCc1cc(=O)[nH]c(CN[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377644858 467104654 /nfs/dbraw/zinc/10/46/54/467104654.db2.gz FVYVXERXMXSZMK-MAUKXSAKSA-N -1 2 330.407 2.419 10 0 EEAELM CCOc1ccncc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000436480430 467540193 /nfs/dbraw/zinc/54/01/93/467540193.db2.gz WCXGSABOWZUPIZ-UHFFFAOYSA-N -1 2 340.332 2.118 10 0 EEAELM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000530315694 467975356 /nfs/dbraw/zinc/97/53/56/467975356.db2.gz SJOLGDPPQOFZNO-UHFFFAOYSA-N -1 2 341.414 2.469 10 0 EEAELM CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@@H](CC)C(=O)[O-])=N1 ZINC000653461654 471629175 /nfs/dbraw/zinc/62/91/75/471629175.db2.gz FCBDVNMSMNDOOJ-LBPRGKRZSA-N -1 2 331.372 2.076 10 0 EEAELM Cc1cc(F)c(C(=O)[O-])c(NS(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000663269391 472433444 /nfs/dbraw/zinc/43/34/44/472433444.db2.gz MVOXGZZRVLEJTF-UHFFFAOYSA-N -1 2 341.364 2.411 10 0 EEAELM COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3O)o2)[C@H](C)C1 ZINC000933166949 1207735543 /nfs/dbraw/zinc/73/55/43/1207735543.db2.gz XTNGAZVJVWWLTB-VXGBXAGGSA-N -1 2 331.372 2.216 10 0 EEAELM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)sc1C ZINC000055312424 214306850 /nfs/dbraw/zinc/30/68/50/214306850.db2.gz SUDVOUGOKVBMSQ-UHFFFAOYSA-N -1 2 330.387 2.414 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547881946 318331706 /nfs/dbraw/zinc/33/17/06/318331706.db2.gz PWYWASUOMSJVRG-UHFFFAOYSA-N -1 2 343.792 2.364 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)sc1C(=O)[O-] ZINC000279946419 464168782 /nfs/dbraw/zinc/16/87/82/464168782.db2.gz YFLNYJRBNRDFIO-UHFFFAOYSA-N -1 2 341.414 2.469 10 0 EEAELM C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1c1ccc(F)cc1 ZINC000371061101 465576673 /nfs/dbraw/zinc/57/66/73/465576673.db2.gz BTALGWDASXHPIS-NVXWUHKLSA-N -1 2 339.374 2.272 10 0 EEAELM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)[O-])c1 ZINC000067124052 462967031 /nfs/dbraw/zinc/96/70/31/462967031.db2.gz WAMKSVANMHBHPL-UHFFFAOYSA-N -1 2 342.354 2.464 10 0 EEAELM Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)[O-])cc1C ZINC000362349238 465669338 /nfs/dbraw/zinc/66/93/38/465669338.db2.gz SWIVPHRCVQVJKK-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000040556111 463463304 /nfs/dbraw/zinc/46/33/04/463463304.db2.gz WERWWNWGAGHLFF-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM Cc1cn(C)nc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000663265802 472430629 /nfs/dbraw/zinc/43/06/29/472430629.db2.gz JPRSUIUWWCCRHO-UHFFFAOYSA-N -1 2 337.401 2.351 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC1(F)CC1 ZINC000905988887 783621929 /nfs/dbraw/zinc/62/19/29/783621929.db2.gz UIHUPGLJRSQVNY-UHFFFAOYSA-N -1 2 331.365 2.417 10 0 EEAELM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242136 462689865 /nfs/dbraw/zinc/68/98/65/462689865.db2.gz CACOHGAOWSJLOP-UHFFFAOYSA-N -1 2 346.317 2.294 10 0 EEAELM Cc1cc(C(=O)Nc2c(O)cccc2Cl)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001298549925 1330099245 /nfs/dbraw/zinc/09/92/45/1330099245.db2.gz DEOIOGSINZKFJO-UHFFFAOYSA-N -1 2 346.730 2.356 10 0 EEAELM Cc1cc(C(=O)Nc2c(O)cccc2Cl)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001298549925 1330099247 /nfs/dbraw/zinc/09/92/47/1330099247.db2.gz DEOIOGSINZKFJO-UHFFFAOYSA-N -1 2 346.730 2.356 10 0 EEAELM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cncnc1 ZINC000278087695 274330828 /nfs/dbraw/zinc/33/08/28/274330828.db2.gz NBJHMLKMAMFONA-UHFFFAOYSA-N -1 2 341.414 2.335 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000581611393 324289681 /nfs/dbraw/zinc/28/96/81/324289681.db2.gz ZJMGNZSXPSULOJ-YGRLFVJLSA-N -1 2 343.401 2.091 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000547546761 318298812 /nfs/dbraw/zinc/29/88/12/318298812.db2.gz TUSGBFNRXOTLEK-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000581611391 324289778 /nfs/dbraw/zinc/28/97/78/324289778.db2.gz ZJMGNZSXPSULOJ-IINYFYTJSA-N -1 2 343.401 2.091 10 0 EEAELM COc1ccc(NS(=O)(=O)c2cccnc2Cl)c(C(=O)[O-])c1 ZINC000317154879 674598822 /nfs/dbraw/zinc/59/88/22/674598822.db2.gz LYOGXYBWGDEMHF-UHFFFAOYSA-N -1 2 342.760 2.243 10 0 EEAELM CCOc1ccncc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000436479563 314966614 /nfs/dbraw/zinc/96/66/14/314966614.db2.gz RPTCPZXRRWNAKP-UHFFFAOYSA-N -1 2 340.332 2.118 10 0 EEAELM Cc1cc(C(=O)Nc2cccnc2C2CC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001640235558 1352707849 /nfs/dbraw/zinc/70/78/49/1352707849.db2.gz GYRLXFCVVHUDTN-UHFFFAOYSA-N -1 2 337.339 2.269 10 0 EEAELM O=C([O-])Cc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000035219827 213014324 /nfs/dbraw/zinc/01/43/24/213014324.db2.gz QEGYJDPJVXVQRQ-UHFFFAOYSA-N -1 2 326.761 2.163 10 0 EEAELM Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c(C)c1C(=O)[O-] ZINC000291161309 275277085 /nfs/dbraw/zinc/27/70/85/275277085.db2.gz QTDLMPZWPSNSRM-UHFFFAOYSA-N -1 2 349.412 2.413 10 0 EEAELM COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000322188614 311597970 /nfs/dbraw/zinc/59/79/70/311597970.db2.gz IZOJGXXUZWUSOK-UHFFFAOYSA-N -1 2 337.353 2.208 10 0 EEAELM O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1ccc[n+]([O-])c1 ZINC000728609505 576509684 /nfs/dbraw/zinc/50/96/84/576509684.db2.gz HHCYMIXWEQNKRI-UHFFFAOYSA-N -1 2 349.272 2.376 10 0 EEAELM Cc1ncc(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])s1 ZINC000548260195 318368669 /nfs/dbraw/zinc/36/86/69/318368669.db2.gz RNAZRAKLJMVYRC-UHFFFAOYSA-N -1 2 330.362 2.398 10 0 EEAELM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2c(Cl)cnn2C)cc1F ZINC000577451592 320255457 /nfs/dbraw/zinc/25/54/57/320255457.db2.gz BLEOJSFFQPQIRC-UHFFFAOYSA-N -1 2 347.755 2.020 10 0 EEAELM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)on1 ZINC000229295331 464195410 /nfs/dbraw/zinc/19/54/10/464195410.db2.gz XHMRFQIFIKYDJB-WCQYABFASA-N -1 2 345.403 2.450 10 0 EEAELM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000021503062 212227807 /nfs/dbraw/zinc/22/78/07/212227807.db2.gz XUZNHBHMZZMIDC-UHFFFAOYSA-N -1 2 329.765 2.179 10 0 EEAELM C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cn21 ZINC000416406968 313214993 /nfs/dbraw/zinc/21/49/93/313214993.db2.gz HLVZWCFTMGVKQI-SNVBAGLBSA-N -1 2 335.385 2.279 10 0 EEAELM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240406 462689288 /nfs/dbraw/zinc/68/92/88/462689288.db2.gz GKJGHJMNHOGESE-UHFFFAOYSA-N -1 2 328.327 2.155 10 0 EEAELM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)on1 ZINC000229295320 464195934 /nfs/dbraw/zinc/19/59/34/464195934.db2.gz XHMRFQIFIKYDJB-DGCLKSJQSA-N -1 2 345.403 2.450 10 0 EEAELM CCCc1ccc(NS(=O)(=O)c2ccnn2CC)c(C(=O)[O-])c1 ZINC000471920568 467981629 /nfs/dbraw/zinc/98/16/29/467981629.db2.gz HFMVQUVCTFQUHO-UHFFFAOYSA-N -1 2 337.401 2.355 10 0 EEAELM Cc1ncc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767738660 577543938 /nfs/dbraw/zinc/54/39/38/577543938.db2.gz PGXUNKLDDPDLCL-UHFFFAOYSA-N -1 2 345.739 2.077 10 0 EEAELM O=C(NCCc1n[nH]c(=S)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC001625689930 1352455414 /nfs/dbraw/zinc/45/54/14/1352455414.db2.gz YELQWIDXMVQPPZ-UHFFFAOYSA-N -1 2 334.184 2.343 10 0 EEAELM Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000178715698 463949616 /nfs/dbraw/zinc/94/96/16/463949616.db2.gz OJAGCNFVQMBYNO-UHFFFAOYSA-N -1 2 347.382 2.087 10 0 EEAELM COc1ccc(CCCNC(=O)c2cccc3[nH]nnc32)cc1OC ZINC000187491600 464136063 /nfs/dbraw/zinc/13/60/63/464136063.db2.gz NOSOSADQVWHMCE-UHFFFAOYSA-N -1 2 340.383 2.338 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC(C)(C)OC ZINC000414374145 467408517 /nfs/dbraw/zinc/40/85/17/467408517.db2.gz OCEOXLGNUOYHQX-UHFFFAOYSA-N -1 2 349.380 2.089 10 0 EEAELM CCn1cc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cn1 ZINC000681561739 486274840 /nfs/dbraw/zinc/27/48/40/486274840.db2.gz LXXRFSUKHYWBKX-UHFFFAOYSA-N -1 2 343.792 2.364 10 0 EEAELM CC(C)c1nsc(C[NH2+]C/C=C\CNC(=O)c2ccccc2O)n1 ZINC001568816981 1124835068 /nfs/dbraw/zinc/83/50/68/1124835068.db2.gz DBHMAZQIEWGQGM-WAYWQWQTSA-N -1 2 346.456 2.443 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000581611390 324289595 /nfs/dbraw/zinc/28/95/95/324289595.db2.gz ZJMGNZSXPSULOJ-HZMBPMFUSA-N -1 2 343.401 2.091 10 0 EEAELM COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194599699 463891767 /nfs/dbraw/zinc/89/17/67/463891767.db2.gz GFYOHBBRSWRTEE-LLVKDONJSA-N -1 2 330.787 2.025 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000548589175 318397218 /nfs/dbraw/zinc/39/72/18/318397218.db2.gz FKDCJYPYFAKCTE-UHFFFAOYSA-N -1 2 337.401 2.066 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000573925257 469231786 /nfs/dbraw/zinc/23/17/86/469231786.db2.gz UBIZEDWZVWPSCN-HZMBPMFUSA-N -1 2 343.401 2.093 10 0 EEAELM O=C([O-])[C@]1(CNc2nc(C3CCCCC3)ns2)CCCOC1 ZINC000630463268 469859489 /nfs/dbraw/zinc/85/94/89/469859489.db2.gz KYSJQZBCPZHFDD-HNNXBMFYSA-N -1 2 325.434 2.301 10 0 EEAELM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2cnc(Cl)n2C)cc1F ZINC000776585033 577463377 /nfs/dbraw/zinc/46/33/77/577463377.db2.gz NDUCHQREAFQJGG-UHFFFAOYSA-N -1 2 347.755 2.020 10 0 EEAELM C[C@H](CN1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)c1ccc(O)cc1 ZINC000929130508 1206449973 /nfs/dbraw/zinc/44/99/73/1206449973.db2.gz ZVEDJXFTBSLBDB-QAPCUYQASA-N -1 2 332.444 2.008 10 0 EEAELM CN(Cc1ccco1)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001519587468 1119090430 /nfs/dbraw/zinc/09/04/30/1119090430.db2.gz PSBBIEWYKMZCNT-UHFFFAOYSA-N -1 2 333.783 2.356 10 0 EEAELM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)s1 ZINC000489004816 539968664 /nfs/dbraw/zinc/96/86/64/539968664.db2.gz CEZHPDXQWANTFA-UHFFFAOYSA-N -1 2 343.430 2.334 10 0 EEAELM Cn1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C1CC1 ZINC000769870822 577586158 /nfs/dbraw/zinc/58/61/58/577586158.db2.gz VSAYJMCMZCFOPD-UHFFFAOYSA-N -1 2 349.412 2.116 10 0 EEAELM CCn1cc(S(=O)(=O)Nc2cccc(CCCC(=O)[O-])c2)cn1 ZINC000585098462 785960741 /nfs/dbraw/zinc/96/07/41/785960741.db2.gz VOYUGUKFUGSKEJ-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)ccc1C(=O)[O-] ZINC000285073533 464445802 /nfs/dbraw/zinc/44/58/02/464445802.db2.gz KEWIIMYAKFYTEQ-UHFFFAOYSA-N -1 2 337.401 2.351 10 0 EEAELM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000577454754 320255743 /nfs/dbraw/zinc/25/57/43/320255743.db2.gz OWXXCPIBNZLFCD-UHFFFAOYSA-N -1 2 343.792 2.135 10 0 EEAELM CC(C)[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1n[nH]c(=O)s1 ZINC000241231008 464450658 /nfs/dbraw/zinc/45/06/58/464450658.db2.gz KRFFSPUKHXNXGN-UHFFFAOYSA-N -1 2 329.429 2.428 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000080672052 217325079 /nfs/dbraw/zinc/32/50/79/217325079.db2.gz NGIWTDYKVKVRLF-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(O)cccc2O)cc1 ZINC000530274921 467971158 /nfs/dbraw/zinc/97/11/58/467971158.db2.gz REBAJRLZXWGKNT-CQSZACIVSA-N -1 2 342.395 2.111 10 0 EEAELM COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(O)cccc2O)cc1 ZINC000530274921 467971162 /nfs/dbraw/zinc/97/11/62/467971162.db2.gz REBAJRLZXWGKNT-CQSZACIVSA-N -1 2 342.395 2.111 10 0 EEAELM Cc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c(C(=O)[O-])c1 ZINC000777613670 577483012 /nfs/dbraw/zinc/48/30/12/577483012.db2.gz DAWOGXGABHIOAN-UHFFFAOYSA-N -1 2 335.385 2.101 10 0 EEAELM Cc1cccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c1C(=O)[O-] ZINC000777630749 577483552 /nfs/dbraw/zinc/48/35/52/577483552.db2.gz TYKQKTSUNULVPL-UHFFFAOYSA-N -1 2 335.385 2.101 10 0 EEAELM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(O)cc(F)c2)c1F ZINC000768055500 577549621 /nfs/dbraw/zinc/54/96/21/577549621.db2.gz NWIBABRNEJCRRZ-UHFFFAOYSA-N -1 2 343.307 2.478 10 0 EEAELM O=C(c1cc2c(cc1O)CCCC2)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000408407275 467551640 /nfs/dbraw/zinc/55/16/40/467551640.db2.gz KUEVKLXNHWCINC-GOSISDBHSA-N -1 2 337.423 2.453 10 0 EEAELM CCc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1O ZINC001648129786 1353417642 /nfs/dbraw/zinc/41/76/42/1353417642.db2.gz QFPJSUFKOZRLPC-UHFFFAOYSA-N -1 2 340.339 2.265 10 0 EEAELM C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000459387606 245100001 /nfs/dbraw/zinc/10/00/01/245100001.db2.gz ZVBXROBGDZEILM-MRXNPFEDSA-N -1 2 338.411 2.297 10 0 EEAELM O=c1nc(C2CC[NH+](Cc3ccc(Br)s3)CC2)[nH][nH]1 ZINC000280726405 269387539 /nfs/dbraw/zinc/38/75/39/269387539.db2.gz CQAFLCHIIKDIIJ-UHFFFAOYSA-N -1 2 343.250 2.302 10 0 EEAELM C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000193207880 274055905 /nfs/dbraw/zinc/05/59/05/274055905.db2.gz UDPNJJHJTQYOHQ-SNVBAGLBSA-N -1 2 336.379 2.257 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000548196027 318364711 /nfs/dbraw/zinc/36/47/11/318364711.db2.gz NTSOPZVFIUWNHX-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM Cn1nc(NS(=O)(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000776428226 577459722 /nfs/dbraw/zinc/45/97/22/577459722.db2.gz VGLCHUSSIIIVMB-UHFFFAOYSA-N -1 2 331.353 2.072 10 0 EEAELM CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1cccc2[nH]nnc21 ZINC000119242481 292242850 /nfs/dbraw/zinc/24/28/50/292242850.db2.gz NDEUOKMQRSRJCN-CYBMUJFWSA-N -1 2 332.404 2.446 10 0 EEAELM C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccnn1CC1CCC1 ZINC001650043241 1353698332 /nfs/dbraw/zinc/69/83/32/1353698332.db2.gz XJUWNSHUXLSUII-LBPRGKRZSA-N -1 2 343.431 2.102 10 0 EEAELM CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354472292 466591175 /nfs/dbraw/zinc/59/11/75/466591175.db2.gz DYVPPWNFPZRCEF-OAHLLOKOSA-N -1 2 344.390 2.026 10 0 EEAELM COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@@H]1C ZINC000878989964 1200788962 /nfs/dbraw/zinc/78/89/62/1200788962.db2.gz SUINULXNGBBDAM-NWDGAFQWSA-N -1 2 331.372 2.073 10 0 EEAELM C[C@H]1CCCc2nc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cn21 ZINC000416406967 313214944 /nfs/dbraw/zinc/21/49/44/313214944.db2.gz HLVZWCFTMGVKQI-JTQLQIEISA-N -1 2 335.385 2.279 10 0 EEAELM O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(Cl)cc1O ZINC000629099641 469439199 /nfs/dbraw/zinc/43/91/99/469439199.db2.gz FSFQLIIONRCMLC-UHFFFAOYSA-N -1 2 339.804 2.465 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)sc1C(=O)[O-] ZINC000290881534 275248786 /nfs/dbraw/zinc/24/87/86/275248786.db2.gz BXEATXAPOKWQMH-UHFFFAOYSA-N -1 2 341.414 2.166 10 0 EEAELM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291176250 275278548 /nfs/dbraw/zinc/27/85/48/275278548.db2.gz SEHWPEJPESLQGI-UHFFFAOYSA-N -1 2 349.412 2.359 10 0 EEAELM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000577461170 320255971 /nfs/dbraw/zinc/25/59/71/320255971.db2.gz KYZHSHCIJBXGHM-UHFFFAOYSA-N -1 2 340.742 2.028 10 0 EEAELM COc1cc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c(OC)c1 ZINC000069814623 463332014 /nfs/dbraw/zinc/33/20/14/463332014.db2.gz ZKEMQDDGDQVDDO-UHFFFAOYSA-N -1 2 343.382 2.264 10 0 EEAELM COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000595621024 468926325 /nfs/dbraw/zinc/92/63/25/468926325.db2.gz LKDUHAAYBYEMRA-MXWKQRLJSA-N -1 2 347.337 2.225 10 0 EEAELM CC(C)(CNS(=O)(=O)c1ccc(Cl)nc1Cl)n1cc[nH+]c1 ZINC000867722588 1201666048 /nfs/dbraw/zinc/66/60/48/1201666048.db2.gz FABTWDUPFOGOKE-UHFFFAOYSA-N -1 2 349.243 2.299 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000471973569 467984040 /nfs/dbraw/zinc/98/40/40/467984040.db2.gz QYIFLRQKMVHJKK-LLVKDONJSA-N -1 2 337.401 2.282 10 0 EEAELM CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192901867 160176484 /nfs/dbraw/zinc/17/64/84/160176484.db2.gz DEHUEOBSMSIRKC-QMMMGPOBSA-N -1 2 342.358 2.252 10 0 EEAELM COc1cc(C)c(NS(=O)(=O)c2cnc(C)s2)c(C(=O)[O-])c1 ZINC000548264639 318368962 /nfs/dbraw/zinc/36/89/62/318368962.db2.gz OTLZQMSNYWSWMY-UHFFFAOYSA-N -1 2 342.398 2.268 10 0 EEAELM C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cn(-c2ccccc2)nn1 ZINC000182802515 323389057 /nfs/dbraw/zinc/38/90/57/323389057.db2.gz HBKRACICZWIUGT-LLVKDONJSA-N -1 2 333.355 2.030 10 0 EEAELM Cn1[nH]c([C@@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)nc1=N ZINC000581984519 324354176 /nfs/dbraw/zinc/35/41/76/324354176.db2.gz CNVCEDALYUUCLQ-AWEZNQCLSA-N -1 2 326.379 2.252 10 0 EEAELM C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000668431110 472124709 /nfs/dbraw/zinc/12/47/09/472124709.db2.gz WVKNMNGPVSDTCR-BETUJISGSA-N -1 2 344.415 2.023 10 0 EEAELM O=C1CC2(CCC2)[N@@H+](Cc2cccc(O)c2Br)CCN1 ZINC000895927610 684777828 /nfs/dbraw/zinc/77/78/28/684777828.db2.gz SXPWKAKPZKDAMD-UHFFFAOYSA-N -1 2 339.233 2.399 10 0 EEAELM CCOc1ccncc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000436475112 314965180 /nfs/dbraw/zinc/96/51/80/314965180.db2.gz FUXIIBBNAIQXRR-UHFFFAOYSA-N -1 2 340.332 2.118 10 0 EEAELM O=C([O-])c1cc(S(=O)(=O)Nc2cnoc2)cc(Cl)c1Cl ZINC000749555765 577977976 /nfs/dbraw/zinc/97/79/76/577977976.db2.gz WKYITMWARPMOTG-UHFFFAOYSA-N -1 2 337.140 2.480 10 0 EEAELM C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)nc1F ZINC000866497253 1201532648 /nfs/dbraw/zinc/53/26/48/1201532648.db2.gz IPXBJCIEZFOHAP-SNVBAGLBSA-N -1 2 335.832 2.027 10 0 EEAELM COc1ccc([C@H](C)NC(=O)c2cccc3[nH]nnc32)cc1OC ZINC000163546972 539536367 /nfs/dbraw/zinc/53/63/67/539536367.db2.gz QBXIBELGZFIJSH-JTQLQIEISA-N -1 2 326.356 2.466 10 0 EEAELM C[NH+](C)CCn1nccc1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000294199823 293394604 /nfs/dbraw/zinc/39/46/04/293394604.db2.gz UWWHFDBDCIKNSO-UHFFFAOYSA-N -1 2 326.759 2.195 10 0 EEAELM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000436587296 314978129 /nfs/dbraw/zinc/97/81/29/314978129.db2.gz XWTXIEICKZKYJV-UHFFFAOYSA-N -1 2 349.709 2.118 10 0 EEAELM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)c1C ZINC000769867478 577586119 /nfs/dbraw/zinc/58/61/19/577586119.db2.gz DQEHGGQDVXUDDP-UHFFFAOYSA-N -1 2 349.412 2.413 10 0 EEAELM Cc1cccc(F)c1S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000375379627 167122533 /nfs/dbraw/zinc/12/25/33/167122533.db2.gz NXSXGHNUPTWMCR-UHFFFAOYSA-N -1 2 346.387 2.193 10 0 EEAELM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055548568 463331107 /nfs/dbraw/zinc/33/11/07/463331107.db2.gz IDGKRKXZNMXBKY-UHFFFAOYSA-N -1 2 340.288 2.233 10 0 EEAELM CC1(c2nc(=NC(=O)c3cc(F)c(F)c([O-])c3F)s[nH]2)CC1 ZINC000529697462 317628968 /nfs/dbraw/zinc/62/89/68/317628968.db2.gz GSULJSNXVHISRE-UHFFFAOYSA-N -1 2 329.303 2.387 10 0 EEAELM COC(=O)c1nscc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436477883 467539266 /nfs/dbraw/zinc/53/92/66/467539266.db2.gz NNTBVGZSIHWKGR-UHFFFAOYSA-N -1 2 348.789 2.090 10 0 EEAELM CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001670601162 1176941107 /nfs/dbraw/zinc/94/11/07/1176941107.db2.gz NTZZUXZKIIQRJN-CQSZACIVSA-N -1 2 344.411 2.162 10 0 EEAELM Cc1noc(C(C)C)c1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC001455974078 1109030714 /nfs/dbraw/zinc/03/07/14/1109030714.db2.gz XSCWPWBNYDWRFS-UHFFFAOYSA-N -1 2 343.343 2.417 10 0 EEAELM Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000071029948 202339329 /nfs/dbraw/zinc/33/93/29/202339329.db2.gz KNUDZJCBOPTUAN-UHFFFAOYSA-N -1 2 329.765 2.179 10 0 EEAELM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280859390 269394467 /nfs/dbraw/zinc/39/44/67/269394467.db2.gz CCOLEDJZZVRLJT-UHFFFAOYSA-N -1 2 337.401 2.351 10 0 EEAELM O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(O)c(Cl)c1 ZINC000629099581 469439568 /nfs/dbraw/zinc/43/95/68/469439568.db2.gz DQUGPRQPLFZLGM-UHFFFAOYSA-N -1 2 339.804 2.465 10 0 EEAELM O=C([N-]OCc1ccccn1)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001451093756 1095767848 /nfs/dbraw/zinc/76/78/48/1095767848.db2.gz UZEQPAUGJTZXEW-UHFFFAOYSA-N -1 2 346.293 2.113 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)sc1C(=O)[O-] ZINC000448073820 242359092 /nfs/dbraw/zinc/35/90/92/242359092.db2.gz GPTNHLHTLBMNQX-UHFFFAOYSA-N -1 2 331.346 2.400 10 0 EEAELM CCO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O)C1CC1 ZINC000629291965 469492061 /nfs/dbraw/zinc/49/20/61/469492061.db2.gz SWCIIXYURTZHGE-OAHLLOKOSA-N -1 2 327.402 2.152 10 0 EEAELM CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001670601161 1176940582 /nfs/dbraw/zinc/94/05/82/1176940582.db2.gz NTZZUXZKIIQRJN-AWEZNQCLSA-N -1 2 344.411 2.162 10 0 EEAELM O=C([N-]OC/C=C/Cl)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001450763005 1095185256 /nfs/dbraw/zinc/18/52/56/1095185256.db2.gz NSBCNWLXUODHJS-DAFODLJHSA-N -1 2 329.690 2.270 10 0 EEAELM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC000071415373 202349629 /nfs/dbraw/zinc/34/96/29/202349629.db2.gz NUNDJLUKFYTQIG-UHFFFAOYSA-N -1 2 329.403 2.333 10 0 EEAELM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000548236853 318367185 /nfs/dbraw/zinc/36/71/85/318367185.db2.gz AXOOJFMVPFNEMG-BBBLOLIVSA-N -1 2 331.356 2.280 10 0 EEAELM O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)[N-]OCc1ccccc1 ZINC000119433923 462901232 /nfs/dbraw/zinc/90/12/32/462901232.db2.gz IHANDEJQKXMGLG-KRWDZBQOSA-N -1 2 340.427 2.063 10 0 EEAELM O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc(Cl)ccc1O ZINC000629099569 469439240 /nfs/dbraw/zinc/43/92/40/469439240.db2.gz DMJKDCBUUWCBPB-UHFFFAOYSA-N -1 2 339.804 2.465 10 0 EEAELM Cc1cc(F)c(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1C(=O)[O-] ZINC000768053638 577549609 /nfs/dbraw/zinc/54/96/09/577549609.db2.gz DQQQVDCWLJDPJH-UHFFFAOYSA-N -1 2 343.307 2.478 10 0 EEAELM Cn1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(C2CC2)n1 ZINC000515126945 467974939 /nfs/dbraw/zinc/97/49/39/467974939.db2.gz IHSQLNCQHQNZDN-UHFFFAOYSA-N -1 2 327.793 2.457 10 0 EEAELM O=S(=O)(Nc1cc2n(n1)CCCC2)c1cccc(Cl)c1[O-] ZINC000584034648 468788350 /nfs/dbraw/zinc/78/83/50/468788350.db2.gz CLDAPEDZMHIBJS-UHFFFAOYSA-N -1 2 327.793 2.379 10 0 EEAELM O=S(=O)([N-]c1cc2n(n1)CCCC2)c1cccc(Cl)c1O ZINC000584034648 468788354 /nfs/dbraw/zinc/78/83/54/468788354.db2.gz CLDAPEDZMHIBJS-UHFFFAOYSA-N -1 2 327.793 2.379 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000562743500 469058160 /nfs/dbraw/zinc/05/81/60/469058160.db2.gz VAVNVPHABVNYMW-UHFFFAOYSA-N -1 2 349.412 2.281 10 0 EEAELM CO[C@@H](C)c1nsc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000645371756 471227712 /nfs/dbraw/zinc/22/77/12/471227712.db2.gz HYJFUTXZVTUEPG-CFVMTHIKSA-N -1 2 332.473 2.425 10 0 EEAELM C[C@@H]([NH2+]Cc1ncc(Cl)s1)[C@H](C)NC(=O)c1ncccc1O ZINC001409305924 1188629076 /nfs/dbraw/zinc/62/90/76/1188629076.db2.gz KQPZIDQMJLMZRN-BDAKNGLRSA-N -1 2 340.836 2.194 10 0 EEAELM CN(C(=O)c1cc(O)c2ccccc2c1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295300875 780519034 /nfs/dbraw/zinc/51/90/34/780519034.db2.gz GXBWWNJELGWJQG-AEFFLSMTSA-N -1 2 326.396 2.091 10 0 EEAELM O=C([O-])CC1(Nc2cc(NC3(CC(=O)[O-])CCC3)[nH+]cn2)CCC1 ZINC000662885016 472290720 /nfs/dbraw/zinc/29/07/20/472290720.db2.gz WPTIIGCCGGDEJR-UHFFFAOYSA-N -1 2 334.376 2.095 10 0 EEAELM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccnc2Cl)c1 ZINC000087844855 676324033 /nfs/dbraw/zinc/32/40/33/676324033.db2.gz RVQBQPPEKOPSBM-UHFFFAOYSA-N -1 2 326.761 2.163 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC(C)(C)OC ZINC000436478107 314965789 /nfs/dbraw/zinc/96/57/89/314965789.db2.gz OUKJHACCOBCQNJ-UHFFFAOYSA-N -1 2 345.417 2.340 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CCOC(C)C ZINC000362011946 466480472 /nfs/dbraw/zinc/48/04/72/466480472.db2.gz GFBNPMKBLUMUPN-UHFFFAOYSA-N -1 2 349.380 2.089 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000581611392 324289800 /nfs/dbraw/zinc/28/98/00/324289800.db2.gz ZJMGNZSXPSULOJ-QMTHXVAHSA-N -1 2 343.401 2.091 10 0 EEAELM O=C1NC(=O)[C@]2(CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)N1 ZINC000192647218 464968161 /nfs/dbraw/zinc/96/81/61/464968161.db2.gz OPYLLJYLZYPLLD-OAHLLOKOSA-N -1 2 348.453 2.046 10 0 EEAELM COC[C@H](C)n1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000451035140 467232073 /nfs/dbraw/zinc/23/20/73/467232073.db2.gz ZJECFMYUSWZZFT-VIFPVBQESA-N -1 2 345.808 2.250 10 0 EEAELM COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2O)n1 ZINC000451035140 467232076 /nfs/dbraw/zinc/23/20/76/467232076.db2.gz ZJECFMYUSWZZFT-VIFPVBQESA-N -1 2 345.808 2.250 10 0 EEAELM CCc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)[O-])c1 ZINC000320098268 160536000 /nfs/dbraw/zinc/53/60/00/160536000.db2.gz LVLFHXIRRHYEBK-UHFFFAOYSA-N -1 2 343.792 2.135 10 0 EEAELM Cc1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000343096819 161103166 /nfs/dbraw/zinc/10/31/66/161103166.db2.gz GINZSSFLTCWYNC-UHFFFAOYSA-N -1 2 341.776 2.246 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cnoc2)ccc1OCCCC(=O)[O-] ZINC000586812066 469071905 /nfs/dbraw/zinc/07/19/05/469071905.db2.gz ATASWYRALUGQFM-UHFFFAOYSA-N -1 2 340.357 2.027 10 0 EEAELM O=C([N-]NC(=O)c1ccc(Cl)cc1O)c1c(O)cc(F)cc1F ZINC000066048166 681320712 /nfs/dbraw/zinc/32/07/12/681320712.db2.gz UNDKVHKZMMNZJU-UHFFFAOYSA-N -1 2 342.685 2.104 10 0 EEAELM Cc1cc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)ccc1O ZINC001454643418 1107466676 /nfs/dbraw/zinc/46/66/76/1107466676.db2.gz ZXGJRSFPLGBQJX-UHFFFAOYSA-N -1 2 340.339 2.035 10 0 EEAELM O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000364022825 165006246 /nfs/dbraw/zinc/00/62/46/165006246.db2.gz QKWNGCKPELJQOI-UHFFFAOYSA-N -1 2 345.362 2.039 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H](CC)OC ZINC000421158981 314057138 /nfs/dbraw/zinc/05/71/38/314057138.db2.gz SVZFKSBRBIYFFW-SECBINFHSA-N -1 2 349.380 2.089 10 0 EEAELM COc1cc(O)c(C(=O)c2ccc(F)cc2)cc1S(=O)(=O)[O-] ZINC000033608237 463422204 /nfs/dbraw/zinc/42/22/04/463422204.db2.gz JQQGRPUCPLTRPG-UHFFFAOYSA-N -1 2 326.301 2.018 10 0 EEAELM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]OCc1ccc(F)cc1 ZINC000194486864 463871758 /nfs/dbraw/zinc/87/17/58/463871758.db2.gz OLNXNUGFDHYXKI-NSHDSACASA-N -1 2 336.285 2.077 10 0 EEAELM CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000281183062 464363499 /nfs/dbraw/zinc/36/34/99/464363499.db2.gz QTBQXSBMNDEWLG-UHFFFAOYSA-N -1 2 341.364 2.182 10 0 EEAELM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccnc1Cl ZINC000036813468 795076911 /nfs/dbraw/zinc/07/69/11/795076911.db2.gz BQUIDKMNHIGMDF-UHFFFAOYSA-N -1 2 330.724 2.373 10 0 EEAELM CCCc1nc(=NC(=O)c2nc[nH]c2C(=O)c2ccccc2)s[n-]1 ZINC000357698488 153294120 /nfs/dbraw/zinc/29/41/20/153294120.db2.gz YWALYHMQRKVRTL-UHFFFAOYSA-N -1 2 341.396 2.119 10 0 EEAELM CCCc1nc(=NC(=O)c2[nH]cnc2C(=O)c2ccccc2)s[n-]1 ZINC000357698488 153294124 /nfs/dbraw/zinc/29/41/24/153294124.db2.gz YWALYHMQRKVRTL-UHFFFAOYSA-N -1 2 341.396 2.119 10 0 EEAELM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245014 462690828 /nfs/dbraw/zinc/69/08/28/462690828.db2.gz DWQSUPHIOXMNNM-UHFFFAOYSA-N -1 2 342.354 2.464 10 0 EEAELM CC[C@H](C)[NH+]1CCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1 ZINC000412398802 467079911 /nfs/dbraw/zinc/07/99/11/467079911.db2.gz YLXQPBNFHWHKPR-ZDUSSCGKSA-N -1 2 328.416 2.200 10 0 EEAELM Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)s1 ZINC000433831288 467356878 /nfs/dbraw/zinc/35/68/78/467356878.db2.gz CKUMHWSAWAQBKR-UHFFFAOYSA-N -1 2 342.398 2.273 10 0 EEAELM COc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000049566552 214020013 /nfs/dbraw/zinc/02/00/13/214020013.db2.gz MMYQPYMYPDQGOQ-UHFFFAOYSA-N -1 2 331.346 2.395 10 0 EEAELM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cccc2[nH]nnc21 ZINC000180147144 464251652 /nfs/dbraw/zinc/25/16/52/464251652.db2.gz FHODCXJVUYUZDC-JTQLQIEISA-N -1 2 343.337 2.245 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000281787130 464584851 /nfs/dbraw/zinc/58/48/51/464584851.db2.gz HRJBPXQFOOQSTO-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)sc1C(=O)[O-] ZINC000319038708 466593854 /nfs/dbraw/zinc/59/38/54/466593854.db2.gz KUYSSNJFQOELPA-UHFFFAOYSA-N -1 2 343.430 2.412 10 0 EEAELM CC(C)C[C@H](CN=c1[nH]nc(C2CCOCC2)s1)CC(=O)[O-] ZINC000652535487 471306449 /nfs/dbraw/zinc/30/64/49/471306449.db2.gz MUTJDSCTIGJJCN-NSHDSACASA-N -1 2 327.450 2.403 10 0 EEAELM CC(=O)Nc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000024528936 539330497 /nfs/dbraw/zinc/33/04/97/539330497.db2.gz DRYMBAHLXJTIBJ-UHFFFAOYSA-N -1 2 340.382 2.206 10 0 EEAELM COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194599712 463892256 /nfs/dbraw/zinc/89/22/56/463892256.db2.gz GFYOHBBRSWRTEE-NSHDSACASA-N -1 2 330.787 2.025 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000573925258 469232519 /nfs/dbraw/zinc/23/25/19/469232519.db2.gz UBIZEDWZVWPSCN-IINYFYTJSA-N -1 2 343.401 2.093 10 0 EEAELM C[C@@H](CN1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)c1ccc(O)cc1 ZINC000929130505 1206449963 /nfs/dbraw/zinc/44/99/63/1206449963.db2.gz ZVEDJXFTBSLBDB-MAUKXSAKSA-N -1 2 332.444 2.008 10 0 EEAELM O=C([O-])c1cccc(NS(=O)(=O)Cc2noc3ccccc32)c1O ZINC000547869454 318330960 /nfs/dbraw/zinc/33/09/60/318330960.db2.gz JQCDSNOWSFDBOZ-UHFFFAOYSA-N -1 2 348.336 2.174 10 0 EEAELM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000044260434 463672181 /nfs/dbraw/zinc/67/21/81/463672181.db2.gz VTMDQUFCIAIYOK-UHFFFAOYSA-N -1 2 330.724 2.373 10 0 EEAELM Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)o1 ZINC000358469504 465143710 /nfs/dbraw/zinc/14/37/10/465143710.db2.gz KQMPSQSTQBSVRU-UHFFFAOYSA-N -1 2 325.777 2.368 10 0 EEAELM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769870557 577586238 /nfs/dbraw/zinc/58/62/38/577586238.db2.gz LOYVJMMJJWDWBR-UHFFFAOYSA-N -1 2 335.385 2.105 10 0 EEAELM CCC[C@H](NC(=O)c1ccc(C(F)(F)F)c(O)c1)c1nn[n-]n1 ZINC001412640419 1205809105 /nfs/dbraw/zinc/80/91/05/1205809105.db2.gz JQTVWZXLIFPTOA-VIFPVBQESA-N -1 2 329.282 2.195 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000471923972 245422471 /nfs/dbraw/zinc/42/24/71/245422471.db2.gz RCLMVMXOGAEGKO-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM O=C([O-])[C@H](CNc1nc(C(F)(F)F)ns1)Cc1ccccc1 ZINC000568396518 319484881 /nfs/dbraw/zinc/48/48/81/319484881.db2.gz LCSPQEVWQXTMDR-VIFPVBQESA-N -1 2 331.319 2.334 10 0 EEAELM CCc1noc(C)c1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000339074343 465068243 /nfs/dbraw/zinc/06/82/43/465068243.db2.gz JJSIAZPQIIFUOB-UHFFFAOYSA-N -1 2 330.387 2.414 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(C)o1 ZINC000547545587 318298758 /nfs/dbraw/zinc/29/87/58/318298758.db2.gz WFGCAEIDRRVXAW-UHFFFAOYSA-N -1 2 340.313 2.304 10 0 EEAELM CCc1noc(C)c1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000339075222 465067399 /nfs/dbraw/zinc/06/73/99/465067399.db2.gz XPNJUYUPVNXDJP-UHFFFAOYSA-N -1 2 338.385 2.363 10 0 EEAELM O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000055548537 463330757 /nfs/dbraw/zinc/33/07/57/463330757.db2.gz DSRSIDQCAPEMFA-UHFFFAOYSA-N -1 2 340.288 2.233 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000471969909 467984179 /nfs/dbraw/zinc/98/41/79/467984179.db2.gz KXXOURAHKJJFMS-UHFFFAOYSA-N -1 2 343.792 2.364 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000573925260 469231768 /nfs/dbraw/zinc/23/17/68/469231768.db2.gz UBIZEDWZVWPSCN-YGRLFVJLSA-N -1 2 343.401 2.093 10 0 EEAELM Cc1c(S(=O)(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cnn1C ZINC000793410687 810306441 /nfs/dbraw/zinc/30/64/41/810306441.db2.gz HGDFCMXDTUWYCJ-UHFFFAOYSA-N -1 2 345.380 2.381 10 0 EEAELM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000390008091 467405286 /nfs/dbraw/zinc/40/52/86/467405286.db2.gz MQTWUNPUHNAOBO-UHFFFAOYSA-N -1 2 340.288 2.233 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-] ZINC000681561623 486274907 /nfs/dbraw/zinc/27/49/07/486274907.db2.gz ISENKGDXJNXHIC-UHFFFAOYSA-N -1 2 343.792 2.364 10 0 EEAELM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000548236856 318367097 /nfs/dbraw/zinc/36/70/97/318367097.db2.gz AXOOJFMVPFNEMG-UTLUCORTSA-N -1 2 331.356 2.280 10 0 EEAELM Cc1n[nH]c2cc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc12 ZINC000093909295 463052458 /nfs/dbraw/zinc/05/24/58/463052458.db2.gz FAOSZDJYOQCDMV-UHFFFAOYSA-N -1 2 335.341 2.272 10 0 EEAELM Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc12 ZINC000093909295 463052462 /nfs/dbraw/zinc/05/24/62/463052462.db2.gz FAOSZDJYOQCDMV-UHFFFAOYSA-N -1 2 335.341 2.272 10 0 EEAELM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OCc3ccccn3)=N2)c1 ZINC001637587081 1352678928 /nfs/dbraw/zinc/67/89/28/1352678928.db2.gz YNBCDESQMUNNRI-UHFFFAOYSA-N -1 2 342.330 2.282 10 0 EEAELM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2cnn(C(C)C)c2)cc1F ZINC000274934628 269076899 /nfs/dbraw/zinc/07/68/99/269076899.db2.gz DATWWWLCVDMOAM-UHFFFAOYSA-N -1 2 341.364 2.411 10 0 EEAELM Cc1noc(C)c1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000547615184 318303509 /nfs/dbraw/zinc/30/35/09/318303509.db2.gz JMOJAQWJLUFNGE-UHFFFAOYSA-N -1 2 328.321 2.238 10 0 EEAELM Cc1nn(C)cc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001261888432 1322194005 /nfs/dbraw/zinc/19/40/05/1322194005.db2.gz PPDIXYRMKCJLSX-UHFFFAOYSA-N -1 2 345.380 2.381 10 0 EEAELM COc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021008312 212199565 /nfs/dbraw/zinc/19/95/65/212199565.db2.gz MSHUTASIOKNNDO-UHFFFAOYSA-N -1 2 327.383 2.185 10 0 EEAELM O=C1NCc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3O)c21 ZINC000339210012 465144005 /nfs/dbraw/zinc/14/40/05/465144005.db2.gz VCMBEJAYZXVBGH-UHFFFAOYSA-N -1 2 338.772 2.090 10 0 EEAELM CSCc1nnc(CNC(=O)c2ccc(C(F)(F)F)c(O)c2)[nH]1 ZINC000924259419 1205951682 /nfs/dbraw/zinc/95/16/82/1205951682.db2.gz GERIXXCLBGADCU-UHFFFAOYSA-N -1 2 346.334 2.322 10 0 EEAELM Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001647331946 1353233611 /nfs/dbraw/zinc/23/36/11/1353233611.db2.gz YAPVOEHVVFVRNC-UHFFFAOYSA-N -1 2 345.447 2.113 10 0 EEAELM O=C([N-]OC/C=C\Cl)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001450763012 1095185147 /nfs/dbraw/zinc/18/51/47/1095185147.db2.gz NSBCNWLXUODHJS-RJRFIUFISA-N -1 2 329.690 2.270 10 0 EEAELM C[C@H](O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000049544876 214016831 /nfs/dbraw/zinc/01/68/31/214016831.db2.gz AUOGVWGQUJGOPY-QMMMGPOBSA-N -1 2 327.383 2.300 10 0 EEAELM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063911955 462681695 /nfs/dbraw/zinc/68/16/95/462681695.db2.gz YQAILOWWHYGJPS-UHFFFAOYSA-N -1 2 342.354 2.464 10 0 EEAELM COC(=O)c1cccc2nc(NC(=O)c3c[nH+]ccc3N(C)C)[nH]c21 ZINC000184003886 464936768 /nfs/dbraw/zinc/93/67/68/464936768.db2.gz VOWGJRPDLQOYLF-UHFFFAOYSA-N -1 2 339.355 2.063 10 0 EEAELM COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000451035139 467232005 /nfs/dbraw/zinc/23/20/05/467232005.db2.gz ZJECFMYUSWZZFT-SECBINFHSA-N -1 2 345.808 2.250 10 0 EEAELM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2O)n1 ZINC000451035139 467232008 /nfs/dbraw/zinc/23/20/08/467232008.db2.gz ZJECFMYUSWZZFT-SECBINFHSA-N -1 2 345.808 2.250 10 0 EEAELM C[C@](CN=c1[nH]nc(C2CCOCC2)s1)(C(=O)[O-])c1ccccc1 ZINC000650776825 470964534 /nfs/dbraw/zinc/96/45/34/470964534.db2.gz KHHMAXALQSFDPT-QGZVFWFLSA-N -1 2 347.440 2.308 10 0 EEAELM C[C@H](CN1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)c1ccc(O)cc1 ZINC000929130501 1206450154 /nfs/dbraw/zinc/45/01/54/1206450154.db2.gz ZVEDJXFTBSLBDB-CRAIPNDOSA-N -1 2 332.444 2.008 10 0 EEAELM Cc1ccc(-c2[nH][nH]c(=NC(=O)N=c3ncn(C(C)(C)C)[n-]3)c2C)o1 ZINC000459499834 245143586 /nfs/dbraw/zinc/14/35/86/245143586.db2.gz MGSXZSASZZAFFD-UHFFFAOYSA-N -1 2 343.391 2.121 10 0 EEAELM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2c(Cl)cnn2C)c1 ZINC000362349938 465671900 /nfs/dbraw/zinc/67/19/00/465671900.db2.gz XFWKIBWMAIJUJB-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM C[C@@](CN=c1[nH]nc(C2CCOCC2)s1)(C(=O)[O-])c1ccccc1 ZINC000650776824 470964456 /nfs/dbraw/zinc/96/44/56/470964456.db2.gz KHHMAXALQSFDPT-KRWDZBQOSA-N -1 2 347.440 2.308 10 0 EEAELM C[C@H](CNC(=O)c1cc(O)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242673 471289750 /nfs/dbraw/zinc/28/97/50/471289750.db2.gz CVHVVUFCGOPDMP-UTUOFQBUSA-N -1 2 326.824 2.273 10 0 EEAELM O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1cccnc1Cl ZINC000035219839 213014231 /nfs/dbraw/zinc/01/42/31/213014231.db2.gz XYHZZFHTPBGFPH-UHFFFAOYSA-N -1 2 330.724 2.373 10 0 EEAELM CC(C)=CCSC[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000548592696 318397436 /nfs/dbraw/zinc/39/74/36/318397436.db2.gz KABVCEZCJZWEAR-IUCAKERBSA-N -1 2 349.396 2.009 10 0 EEAELM COc1ccc(C[C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1OC ZINC000187804732 464164092 /nfs/dbraw/zinc/16/40/92/464164092.db2.gz HMWFEUJALAGFAB-LLVKDONJSA-N -1 2 340.383 2.336 10 0 EEAELM C[N@@H+](Cc1cc(O)ccc1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295169274 464730203 /nfs/dbraw/zinc/73/02/03/464730203.db2.gz UBEKWZSZPYQWCA-CABCVRRESA-N -1 2 341.249 2.060 10 0 EEAELM Cn1cc([C@@H]2C[C@H]2C(=O)N=c2nc(-c3ccsc3)[n-]s2)cn1 ZINC000367279431 466234676 /nfs/dbraw/zinc/23/46/76/466234676.db2.gz VXVYDXTXWHKCNR-WDEREUQCSA-N -1 2 331.426 2.164 10 0 EEAELM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000489003262 468115778 /nfs/dbraw/zinc/11/57/78/468115778.db2.gz AAVPOHTZDHAXQA-UHFFFAOYSA-N -1 2 342.398 2.219 10 0 EEAELM Cc1n[nH]c(C(F)F)c1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000647924420 471017639 /nfs/dbraw/zinc/01/76/39/471017639.db2.gz MRNLUYRCVRVAIV-UHFFFAOYSA-N -1 2 345.327 2.296 10 0 EEAELM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000906011252 783656742 /nfs/dbraw/zinc/65/67/42/783656742.db2.gz OITDDZJTBNHQRK-PPKCKEKNSA-N -1 2 337.319 2.170 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccnc1 ZINC000547934267 318334956 /nfs/dbraw/zinc/33/49/56/318334956.db2.gz KZBQITLAIDOIOR-UHFFFAOYSA-N -1 2 336.369 2.368 10 0 EEAELM COc1ccnc2[nH]cc([C@@H](c3ccccc3)C(C(=O)[O-])C(=O)O)c21 ZINC000140653099 463345889 /nfs/dbraw/zinc/34/58/89/463345889.db2.gz BUQMWTQZAHORNR-CYBMUJFWSA-N -1 2 340.335 2.489 10 0 EEAELM Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cn1 ZINC000753778391 577793241 /nfs/dbraw/zinc/79/32/41/577793241.db2.gz OVHGEZBLKWGOTA-UHFFFAOYSA-N -1 2 341.776 2.246 10 0 EEAELM COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000170551972 311392676 /nfs/dbraw/zinc/39/26/76/311392676.db2.gz NLHKICVHPJCLSD-UHFFFAOYSA-N -1 2 337.353 2.208 10 0 EEAELM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769871758 577586184 /nfs/dbraw/zinc/58/61/84/577586184.db2.gz PPYPHOPKTAKBJZ-UHFFFAOYSA-N -1 2 341.414 2.166 10 0 EEAELM Cc1n[nH]cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000281875832 269450906 /nfs/dbraw/zinc/45/09/06/269450906.db2.gz COEMREUCYPDSIN-UHFFFAOYSA-N -1 2 339.373 2.004 10 0 EEAELM COc1ccc2c(c1)ncc(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)c2O ZINC000161930522 311371030 /nfs/dbraw/zinc/37/10/30/311371030.db2.gz XTCSRXFIXOZLAN-SNVBAGLBSA-N -1 2 340.383 2.342 10 0 EEAELM C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000371061104 465577053 /nfs/dbraw/zinc/57/70/53/465577053.db2.gz BTALGWDASXHPIS-WBVHZDCISA-N -1 2 339.374 2.272 10 0 EEAELM CC(C)c1nsc(C[NH2+]C/C=C/CNC(=O)c2ccccc2O)n1 ZINC001568816980 1124834467 /nfs/dbraw/zinc/83/44/67/1124834467.db2.gz DBHMAZQIEWGQGM-AATRIKPKSA-N -1 2 346.456 2.443 10 0 EEAELM CC[C@H](CC([NH3+])(CC)CC)C(CC)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000098044210 219073651 /nfs/dbraw/zinc/07/36/51/219073651.db2.gz CTVURSZMWZVXKD-SNVBAGLBSA-N -1 2 345.313 2.382 10 0 EEAELM CC[C@H](CC([NH3+])(CC)CC)C(CC)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000098044210 219073653 /nfs/dbraw/zinc/07/36/53/219073653.db2.gz CTVURSZMWZVXKD-SNVBAGLBSA-N -1 2 345.313 2.382 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)[nH]n1 ZINC000080672952 217324467 /nfs/dbraw/zinc/32/44/67/217324467.db2.gz PTELCEQFCPUKOC-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(Cl)cc1F ZINC000539193160 318052721 /nfs/dbraw/zinc/05/27/21/318052721.db2.gz LULIPYMHOAKLFK-UHFFFAOYSA-N -1 2 347.755 2.020 10 0 EEAELM CC(C)[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000352599153 465541091 /nfs/dbraw/zinc/54/10/91/465541091.db2.gz XODHGDVUEKNBIP-UKRRQHHQSA-N -1 2 335.358 2.037 10 0 EEAELM CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000352599153 465541100 /nfs/dbraw/zinc/54/11/00/465541100.db2.gz XODHGDVUEKNBIP-UKRRQHHQSA-N -1 2 335.358 2.037 10 0 EEAELM CC(C)[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000352599153 465541102 /nfs/dbraw/zinc/54/11/02/465541102.db2.gz XODHGDVUEKNBIP-UKRRQHHQSA-N -1 2 335.358 2.037 10 0 EEAELM O=C([O-])[C@@]1(CNc2nc(C3CCCCC3)ns2)CCCOC1 ZINC000630463269 469860267 /nfs/dbraw/zinc/86/02/67/469860267.db2.gz KYSJQZBCPZHFDD-OAHLLOKOSA-N -1 2 325.434 2.301 10 0 EEAELM CC1(C(=O)[O-])CCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000647693729 470960393 /nfs/dbraw/zinc/96/03/93/470960393.db2.gz DFJSWVLSZKUZKJ-UHFFFAOYSA-N -1 2 346.412 2.346 10 0 EEAELM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000436993392 315020949 /nfs/dbraw/zinc/02/09/49/315020949.db2.gz BQLVBTCSTFSSPI-UHFFFAOYSA-N -1 2 349.364 2.216 10 0 EEAELM CC[N@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294747649 464594132 /nfs/dbraw/zinc/59/41/32/464594132.db2.gz XFVXCBDDOORWPN-UHFFFAOYSA-N -1 2 345.212 2.462 10 0 EEAELM O=C(c1cc2c(cc1O)CCCC2)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000408407277 467551760 /nfs/dbraw/zinc/55/17/60/467551760.db2.gz KUEVKLXNHWCINC-SFHVURJKSA-N -1 2 337.423 2.453 10 0 EEAELM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)s1 ZINC000042306095 204085903 /nfs/dbraw/zinc/08/59/03/204085903.db2.gz RPGAHDXAHDQGST-UHFFFAOYSA-N -1 2 344.439 2.121 10 0 EEAELM Oc1cccnc1C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328597419 258041912 /nfs/dbraw/zinc/04/19/12/258041912.db2.gz GYLZDPNRRCPZKP-HNNXBMFYSA-N -1 2 340.427 2.436 10 0 EEAELM CCOc1ccncc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000436478442 314965709 /nfs/dbraw/zinc/96/57/09/314965709.db2.gz QRDKJBDSFYADOW-UHFFFAOYSA-N -1 2 336.369 2.288 10 0 EEAELM C[C@@H](CN1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)c1ccc(O)cc1 ZINC000929130511 1206450089 /nfs/dbraw/zinc/45/00/89/1206450089.db2.gz ZVEDJXFTBSLBDB-YJBOKZPZSA-N -1 2 332.444 2.008 10 0 EEAELM O=C(CCCn1c(=O)[n-][nH]c1=O)Nc1cc(Cl)cc(Cl)c1O ZINC001295108307 1329780929 /nfs/dbraw/zinc/78/09/29/1329780929.db2.gz UBPXWVGKWARGPR-UHFFFAOYSA-N -1 2 347.158 2.121 10 0 EEAELM O=C([O-])c1c[nH]c(=O)c2cc(NS(=O)(=O)c3ccoc3)ccc12 ZINC000567634361 319399696 /nfs/dbraw/zinc/39/96/96/319399696.db2.gz XBTPKJVZOSUKHI-UHFFFAOYSA-N -1 2 334.309 2.032 10 0 EEAELM Cc1ccc2c(=O)c(C(=O)N3CCC(c4cc[nH]n4)CC3)c[nH]c2n1 ZINC000131933216 462833950 /nfs/dbraw/zinc/83/39/50/462833950.db2.gz CJRDXBSEJKHZQW-UHFFFAOYSA-N -1 2 337.383 2.387 10 0 EEAELM CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O)C1CC1 ZINC000629291964 469492330 /nfs/dbraw/zinc/49/23/30/469492330.db2.gz SWCIIXYURTZHGE-HNNXBMFYSA-N -1 2 327.402 2.152 10 0 EEAELM CCOc1nc2cc(C(=O)N3CCn4cc(C)[nH+]c4C3)ccc2[nH]1 ZINC000649367548 470561021 /nfs/dbraw/zinc/56/10/21/470561021.db2.gz WWIJURHUAKBYAC-UHFFFAOYSA-N -1 2 325.372 2.123 10 0 EEAELM Cc1c(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cnn1C ZINC000644629342 471000603 /nfs/dbraw/zinc/00/06/03/471000603.db2.gz HJVPHRGLJXBDSU-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@H](CC)C(=O)[O-])=N1 ZINC000653461653 471628853 /nfs/dbraw/zinc/62/88/53/471628853.db2.gz FCBDVNMSMNDOOJ-GFCCVEGCSA-N -1 2 331.372 2.076 10 0 EEAELM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000648887983 470382902 /nfs/dbraw/zinc/38/29/02/470382902.db2.gz DQHWTVPLWWFWEX-UHFFFAOYSA-N -1 2 340.742 2.028 10 0 EEAELM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769867414 577586077 /nfs/dbraw/zinc/58/60/77/577586077.db2.gz AIUWXDHICQNCHW-UHFFFAOYSA-N -1 2 335.385 2.105 10 0 EEAELM C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(-n2ccnn2)cc1 ZINC000182808136 323389356 /nfs/dbraw/zinc/38/93/56/323389356.db2.gz DNJCHFWJFQDVCZ-LLVKDONJSA-N -1 2 333.355 2.030 10 0 EEAELM CCOc1ccncc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000436479098 467539203 /nfs/dbraw/zinc/53/92/03/467539203.db2.gz TXLCWYSSAXVXHJ-UHFFFAOYSA-N -1 2 336.369 2.288 10 0 EEAELM CC1(c2nc(=NC(=O)c3cc(=O)c4ccccc4[nH]3)s[n-]2)CC1 ZINC000529702666 467898055 /nfs/dbraw/zinc/89/80/55/467898055.db2.gz LWOCBWRLMSOSCD-UHFFFAOYSA-N -1 2 326.381 2.105 10 0 EEAELM CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1 ZINC001631957650 1352591792 /nfs/dbraw/zinc/59/17/92/1352591792.db2.gz PLUSVMYWIQWCSD-UHFFFAOYSA-N -1 2 341.776 2.064 10 0 EEAELM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Cl)c2O)cn1 ZINC001631957650 1352591794 /nfs/dbraw/zinc/59/17/94/1352591794.db2.gz PLUSVMYWIQWCSD-UHFFFAOYSA-N -1 2 341.776 2.064 10 0 EEAELM Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC000435721317 314919648 /nfs/dbraw/zinc/91/96/48/314919648.db2.gz HVIHXHPKKMWCSS-UHFFFAOYSA-N -1 2 349.290 2.236 10 0 EEAELM COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000595621023 468925996 /nfs/dbraw/zinc/92/59/96/468925996.db2.gz LKDUHAAYBYEMRA-AXFHLTTASA-N -1 2 347.337 2.225 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000548521805 318394184 /nfs/dbraw/zinc/39/41/84/318394184.db2.gz SODORUSJDAJSFQ-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM O=S(=O)(Nc1ccc2nn[nH]c2c1)c1cccc2ncccc21 ZINC000130812556 462777637 /nfs/dbraw/zinc/77/76/37/462777637.db2.gz VLQFRNXCKKHPQA-UHFFFAOYSA-N -1 2 325.353 2.307 10 0 EEAELM O=S(=O)(CC[NH2+]Cc1cccc(O)c1Cl)CC(F)(F)F ZINC000850365140 1277200679 /nfs/dbraw/zinc/20/06/79/1277200679.db2.gz CLDHCTAAQQKCJV-UHFFFAOYSA-N -1 2 331.743 2.112 10 0 EEAELM O=Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CC=CCC3)c([O-])c2)o1 ZINC001626627453 1352468913 /nfs/dbraw/zinc/46/89/13/1352468913.db2.gz IIFCPZXKMBMRPJ-UHFFFAOYSA-N -1 2 340.379 2.456 10 0 EEAELM O=C([O-])c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1F ZINC000229619701 791331532 /nfs/dbraw/zinc/33/15/32/791331532.db2.gz PEMQJRMACNMMJB-UHFFFAOYSA-N -1 2 330.724 2.373 10 0 EEAELM CC(C)=CCSC[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548592700 318397516 /nfs/dbraw/zinc/39/75/16/318397516.db2.gz KABVCEZCJZWEAR-RKDXNWHRSA-N -1 2 349.396 2.009 10 0 EEAELM C=CC(=O)Nc1ccc(O)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC001636008535 1352656857 /nfs/dbraw/zinc/65/68/57/1352656857.db2.gz ABNYKDYYDVDMJN-UHFFFAOYSA-N -1 2 336.351 2.094 10 0 EEAELM Cc1ccc2c(n1)[n-]cc(C(=O)N=c1nc(C3(C)CC3)[nH]s1)c2=O ZINC000530267670 467970628 /nfs/dbraw/zinc/97/06/28/467970628.db2.gz VWTANRPHWSEXGN-UHFFFAOYSA-N -1 2 341.396 2.221 10 0 EEAELM Cc1ccc2c([O-])c(C(=O)N=c3nc(C4(C)CC4)[nH]s3)cnc2n1 ZINC000530267670 467970633 /nfs/dbraw/zinc/97/06/33/467970633.db2.gz VWTANRPHWSEXGN-UHFFFAOYSA-N -1 2 341.396 2.221 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000471899776 467980175 /nfs/dbraw/zinc/98/01/75/467980175.db2.gz OVRXDMXFRCVJIP-UHFFFAOYSA-N -1 2 341.414 2.124 10 0 EEAELM COCC(C)(C)N1CC[NH+](C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000930761046 1206580700 /nfs/dbraw/zinc/58/07/00/1206580700.db2.gz YGTQTUJWVHFCOU-OAHLLOKOSA-N -1 2 334.460 2.254 10 0 EEAELM O=C([N-]OCC(F)(F)F)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001149655314 794194536 /nfs/dbraw/zinc/19/45/36/794194536.db2.gz BHNVPWVGCPTMJT-UHFFFAOYSA-N -1 2 337.204 2.080 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)[nH]n1 ZINC000080672316 217324962 /nfs/dbraw/zinc/32/49/62/217324962.db2.gz QIUKMFUMWMJJSZ-UHFFFAOYSA-N -1 2 342.185 2.277 10 0 EEAELM Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc(C(=O)[O-])c1C ZINC000291152097 275276168 /nfs/dbraw/zinc/27/61/68/275276168.db2.gz QAIYXXAIEAWKHH-UHFFFAOYSA-N -1 2 349.412 2.413 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000547933606 318334796 /nfs/dbraw/zinc/33/47/96/318334796.db2.gz YOTYCHDVMAITMY-NSHDSACASA-N -1 2 337.401 2.282 10 0 EEAELM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071909724 463466782 /nfs/dbraw/zinc/46/67/82/463466782.db2.gz GPQPOHRTWWMIGA-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3cnc(C)o3)c2)n1 ZINC000600168006 468482468 /nfs/dbraw/zinc/48/24/68/468482468.db2.gz POZCZNANAHPCNV-UHFFFAOYSA-N -1 2 341.371 2.235 10 0 EEAELM Cc1cc(C)c(NS(=O)(=O)c2cnn(CC3CC3)c2)c(C(=O)[O-])c1 ZINC000777622979 577483265 /nfs/dbraw/zinc/48/32/65/577483265.db2.gz JKIHROHTJWAXRY-UHFFFAOYSA-N -1 2 349.412 2.409 10 0 EEAELM CCc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c(C(=O)[O-])c1 ZINC000777629847 577483524 /nfs/dbraw/zinc/48/35/24/577483524.db2.gz IXFZDPRSKOEOFD-UHFFFAOYSA-N -1 2 349.412 2.355 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)[nH]n1 ZINC000080672678 217324903 /nfs/dbraw/zinc/32/49/03/217324903.db2.gz VNNPSUYYUABVKA-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000541000636 318090353 /nfs/dbraw/zinc/09/03/53/318090353.db2.gz NKQKQBPCEMVMQG-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM Cn1nc(NS(=O)(=O)c2cccc(Cl)c2[O-])cc1C1CC1 ZINC000562541657 468985683 /nfs/dbraw/zinc/98/56/83/468985683.db2.gz DTWCLDLCSCLCDJ-UHFFFAOYSA-N -1 2 327.793 2.457 10 0 EEAELM Cn1nc([N-]S(=O)(=O)c2cccc(Cl)c2O)cc1C1CC1 ZINC000562541657 468985687 /nfs/dbraw/zinc/98/56/87/468985687.db2.gz DTWCLDLCSCLCDJ-UHFFFAOYSA-N -1 2 327.793 2.457 10 0 EEAELM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCC2 ZINC000055312463 214306359 /nfs/dbraw/zinc/30/63/59/214306359.db2.gz OZQIQTVFHNTBLU-UHFFFAOYSA-N -1 2 328.371 2.032 10 0 EEAELM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3)s1 ZINC000049545311 214016430 /nfs/dbraw/zinc/01/64/30/214016430.db2.gz MSXUYXODUPZCMN-UHFFFAOYSA-N -1 2 330.412 2.192 10 0 EEAELM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2O)c1C(N)=O ZINC000436473975 314965176 /nfs/dbraw/zinc/96/51/76/314965176.db2.gz AVKFKPTZZQXDHT-UHFFFAOYSA-N -1 2 340.788 2.254 10 0 EEAELM CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)S(=O)(=O)c1ncc[nH]1 ZINC000719935804 1213635450 /nfs/dbraw/zinc/63/54/50/1213635450.db2.gz GTFLBCQSKIKVPL-INIZCTEOSA-N -1 2 348.472 2.085 10 0 EEAELM Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000020003012 212093441 /nfs/dbraw/zinc/09/34/41/212093441.db2.gz OUUMTOPKFHODLY-UHFFFAOYSA-N -1 2 329.765 2.179 10 0 EEAELM Cn1[nH]c([C@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)nc1=N ZINC000581984520 324354307 /nfs/dbraw/zinc/35/43/07/324354307.db2.gz CNVCEDALYUUCLQ-CQSZACIVSA-N -1 2 326.379 2.252 10 0 EEAELM CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192901882 160176203 /nfs/dbraw/zinc/17/62/03/160176203.db2.gz DEHUEOBSMSIRKC-MRVPVSSYSA-N -1 2 342.358 2.252 10 0 EEAELM CC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1 ZINC000412398801 467079964 /nfs/dbraw/zinc/07/99/64/467079964.db2.gz YLXQPBNFHWHKPR-CYBMUJFWSA-N -1 2 328.416 2.200 10 0 EEAELM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777603902 577482841 /nfs/dbraw/zinc/48/28/41/577482841.db2.gz FGFOUDDTJPUIBC-UHFFFAOYSA-N -1 2 335.385 2.101 10 0 EEAELM C[C@@H](O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000049544975 214016176 /nfs/dbraw/zinc/01/61/76/214016176.db2.gz NRQVRQXGCQTPKM-MRVPVSSYSA-N -1 2 327.383 2.300 10 0 EEAELM C[C@H](O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000049544973 214016222 /nfs/dbraw/zinc/01/62/22/214016222.db2.gz NRQVRQXGCQTPKM-QMMMGPOBSA-N -1 2 327.383 2.300 10 0 EEAELM CCn1cc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cn1 ZINC000281888352 464623266 /nfs/dbraw/zinc/62/32/66/464623266.db2.gz OMAAEFHHIOTOSQ-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000471973570 467984295 /nfs/dbraw/zinc/98/42/95/467984295.db2.gz QYIFLRQKMVHJKK-NSHDSACASA-N -1 2 337.401 2.282 10 0 EEAELM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000768053407 577549617 /nfs/dbraw/zinc/54/96/17/577549617.db2.gz BZXBZVMDCJWPRE-UHFFFAOYSA-N -1 2 347.270 2.309 10 0 EEAELM O=c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)nc(-c2ccccc2)[nH]1 ZINC000459475454 245135912 /nfs/dbraw/zinc/13/59/12/245135912.db2.gz YKUAYVLBMBEKRI-IBGZPJMESA-N -1 2 341.411 2.231 10 0 EEAELM Cn1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C2CC2)n1 ZINC000291081154 275268234 /nfs/dbraw/zinc/26/82/34/275268234.db2.gz JVGRYXGMVVQQGA-UHFFFAOYSA-N -1 2 349.412 2.116 10 0 EEAELM Cn1ncc(NS(=O)(=O)c2cccc3ccccc32)c1C(=O)[O-] ZINC000537639772 318023840 /nfs/dbraw/zinc/02/38/40/318023840.db2.gz IEUMMOACIHDZCE-UHFFFAOYSA-N -1 2 331.353 2.072 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccnc1 ZINC000547938641 318335549 /nfs/dbraw/zinc/33/55/49/318335549.db2.gz ZTHBWOJLWNERIN-UHFFFAOYSA-N -1 2 340.332 2.118 10 0 EEAELM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC000489040776 468117484 /nfs/dbraw/zinc/11/74/84/468117484.db2.gz MKFSKXRBACARRX-UHFFFAOYSA-N -1 2 330.387 2.414 10 0 EEAELM O=C([O-])C(=O)Cc1cc(Br)c(O)c(Br)c1 ZINC000001529910 560181171 /nfs/dbraw/zinc/18/11/71/560181171.db2.gz NJXFZTOQSMPMRY-UHFFFAOYSA-N -1 2 337.951 2.113 10 0 in-vitro EEAELM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000436955487 315015858 /nfs/dbraw/zinc/01/58/58/315015858.db2.gz KSRBHSMQLMHNLU-UHFFFAOYSA-N -1 2 332.337 2.373 10 0 EEAELM O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1csc(=O)[nH]1 ZINC000525937455 317094579 /nfs/dbraw/zinc/09/45/79/317094579.db2.gz HTAASPUAGNTKJI-UHFFFAOYSA-N -1 2 337.832 2.290 10 0 EEAELM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC1(F)CC1 ZINC000905986612 783620108 /nfs/dbraw/zinc/62/01/08/783620108.db2.gz JCWBQBHSLOTPMM-UHFFFAOYSA-N -1 2 331.365 2.416 10 0 EEAELM CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000425329426 241126940 /nfs/dbraw/zinc/12/69/40/241126940.db2.gz UIJMVSAQSPUHMS-UHFFFAOYSA-N -1 2 328.416 2.128 10 0 EEAELM Cc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(F)c1F ZINC000625191242 470092337 /nfs/dbraw/zinc/09/23/37/470092337.db2.gz DFINYIRNWLQCRM-UHFFFAOYSA-N -1 2 341.383 2.285 10 0 EEAELM CN(C(=O)c1cc(O)c2ccccc2c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295300878 1182660497 /nfs/dbraw/zinc/66/04/97/1182660497.db2.gz GXBWWNJELGWJQG-WMZOPIPTSA-N -1 2 326.396 2.091 10 0 EEAELM O=c1c(-c2ccc(O)c(S(=O)(=O)[O-])c2)coc2cc(O)ccc12 ZINC000114117204 462627700 /nfs/dbraw/zinc/62/77/00/462627700.db2.gz NAOQDVOLCWVNEL-UHFFFAOYSA-N -1 2 334.305 2.118 10 0 EEAELM C[N@H+](Cc1cc(O)ccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000295169276 464731304 /nfs/dbraw/zinc/73/13/04/464731304.db2.gz UBEKWZSZPYQWCA-GJZGRUSLSA-N -1 2 341.249 2.060 10 0 EEAELM COCC(C)(C)N1CC[NH+](C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000930761044 1206580738 /nfs/dbraw/zinc/58/07/38/1206580738.db2.gz YGTQTUJWVHFCOU-HNNXBMFYSA-N -1 2 334.460 2.254 10 0 EEAELM CCc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1C(=O)[O-] ZINC000290887373 275249387 /nfs/dbraw/zinc/24/93/87/275249387.db2.gz CIVUXOXBQQVSSV-UHFFFAOYSA-N -1 2 349.412 2.359 10 0 EEAELM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[nH]1 ZINC000634619085 470271078 /nfs/dbraw/zinc/27/10/78/470271078.db2.gz OJJPRLZQPRGUHF-UHFFFAOYSA-N -1 2 330.319 2.015 10 0 EEAELM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC001413507390 1239976297 /nfs/dbraw/zinc/97/62/97/1239976297.db2.gz YSBHLFMRMIEVDW-UHFFFAOYSA-N -1 2 343.309 2.223 10 0 EEAELM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cc(Cl)cc(Cl)c1O ZINC001596292402 1349904896 /nfs/dbraw/zinc/90/48/96/1349904896.db2.gz IGUOXTCKJNPQDQ-UHFFFAOYSA-N -1 2 335.172 2.254 10 0 EEAELM O=C([N-]OCc1cccnc1)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001623400481 1352396561 /nfs/dbraw/zinc/39/65/61/1352396561.db2.gz CBKILSNJDCYTSC-UHFFFAOYSA-N -1 2 346.293 2.113 10 0 EEAELM Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000356500506 163471426 /nfs/dbraw/zinc/47/14/26/163471426.db2.gz XNLSRMCAVTXVEO-UHFFFAOYSA-N -1 2 341.776 2.246 10 0 EEAELM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000436568052 314976225 /nfs/dbraw/zinc/97/62/25/314976225.db2.gz VBHXLMANFYZRJV-UHFFFAOYSA-N -1 2 341.316 2.044 10 0 EEAELM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cccc3[nH]nnc32)[C@@H]1O ZINC000516408449 468026718 /nfs/dbraw/zinc/02/67/18/468026718.db2.gz LNCGJHJBPNFLID-OCCSQVGLSA-N -1 2 344.396 2.022 10 0 EEAELM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cccnc1Cl ZINC000053200379 214168771 /nfs/dbraw/zinc/16/87/71/214168771.db2.gz MWFUFPPUYXZYJB-UHFFFAOYSA-N -1 2 326.761 2.163 10 0 EEAELM O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1O ZINC000548524808 318394448 /nfs/dbraw/zinc/39/44/48/318394448.db2.gz BUNICTKPVHKPFC-UHFFFAOYSA-N -1 2 347.270 2.309 10 0 EEAELM CC/C(C)=C/C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001268939688 1183837942 /nfs/dbraw/zinc/83/79/42/1183837942.db2.gz NCLAYUWVEIDCCO-PZGQXFMXSA-N -1 2 342.443 2.201 10 0 EEAELM CC(C)[C@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)[O-] ZINC000653542606 471659043 /nfs/dbraw/zinc/65/90/43/471659043.db2.gz WMABCPRWRBFISC-VIFPVBQESA-N -1 2 340.430 2.167 10 0 EEAELM O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)O1 ZINC000930308294 1206548294 /nfs/dbraw/zinc/54/82/94/1206548294.db2.gz WGKOCSBLKGDGHY-OUAUKWLOSA-N -1 2 335.326 2.455 10 0 EEAELM C[N@H+](Cc1cccc(O)c1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000459574762 245173817 /nfs/dbraw/zinc/17/38/17/245173817.db2.gz UEUSMBVFZYHZPR-OCCSQVGLSA-N -1 2 341.249 2.060 10 0 EEAELM CN(C)c1ccc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000547548752 318298732 /nfs/dbraw/zinc/29/87/32/318298732.db2.gz QPQUQZVYNDRUQU-UHFFFAOYSA-N -1 2 326.399 2.313 10 0 EEAELM CC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000780421028 804794109 /nfs/dbraw/zinc/79/41/09/804794109.db2.gz SHWSSLPBBIPCGT-UHFFFAOYSA-N -1 2 349.364 2.402 10 0 EEAELM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1ccccc1 ZINC000357173208 465830741 /nfs/dbraw/zinc/83/07/41/465830741.db2.gz IZWXMYPWQXVTMD-UHFFFAOYSA-N -1 2 346.368 2.008 10 0 EEAELM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1(CF)CCOCC1 ZINC000449939383 467747865 /nfs/dbraw/zinc/74/78/65/467747865.db2.gz NAGSRWHNPOSXGG-UHFFFAOYSA-N -1 2 340.305 2.455 10 0 EEAELM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cccc(Cl)c1O ZINC000339200990 301961439 /nfs/dbraw/zinc/96/14/39/301961439.db2.gz HOHIZIIXWBUUQK-UHFFFAOYSA-N -1 2 340.788 2.254 10 0 EEAELM Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])s1 ZINC000547560702 318299642 /nfs/dbraw/zinc/29/96/42/318299642.db2.gz DQGSDMAGWGZFLS-UHFFFAOYSA-N -1 2 342.354 2.464 10 0 EEAELM CCc1c[nH]c(S(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000125789081 463578961 /nfs/dbraw/zinc/57/89/61/463578961.db2.gz RKKWORYXCLGKRC-UHFFFAOYSA-N -1 2 330.413 2.191 10 0 EEAELM O=C(NCC1CC[NH+](Cc2cn3ccsc3n2)CC1)C(F)(F)F ZINC000799172364 1208493744 /nfs/dbraw/zinc/49/37/44/1208493744.db2.gz LLHRGGYFYIZKGC-UHFFFAOYSA-N -1 2 346.378 2.286 10 0 EEAELM CC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000080868758 217336575 /nfs/dbraw/zinc/33/65/75/217336575.db2.gz RVRYQRDUSAYPAC-UHFFFAOYSA-N -1 2 346.411 2.215 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2cn[nH]c2)cc(Cl)c1Cl ZINC000443362762 315244092 /nfs/dbraw/zinc/24/40/92/315244092.db2.gz RMSGMAASSATDEO-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM CCc1noc(C)c1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000339073323 465066872 /nfs/dbraw/zinc/06/68/72/465066872.db2.gz YAPKUSFMABHXEB-UHFFFAOYSA-N -1 2 342.348 2.492 10 0 EEAELM COc1ccc(C[C@H](C)NC(=O)c2cccc3[nH]nnc32)cc1OC ZINC000187804714 464163384 /nfs/dbraw/zinc/16/33/84/464163384.db2.gz HMWFEUJALAGFAB-NSHDSACASA-N -1 2 340.383 2.336 10 0 EEAELM COc1ccc(NS(=O)(=O)c2c[nH]c(C(C)C)n2)cc1C(=O)[O-] ZINC000666174955 472335401 /nfs/dbraw/zinc/33/54/01/472335401.db2.gz JGXGNVCZQJGJNT-UHFFFAOYSA-N -1 2 339.373 2.041 10 0 EEAELM Cn1cc(S(=O)(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cn1 ZINC000751546011 577755214 /nfs/dbraw/zinc/75/52/14/577755214.db2.gz IFEXYPNGQKPOKH-UHFFFAOYSA-N -1 2 331.353 2.072 10 0 EEAELM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(O)c1 ZINC000548194045 318364334 /nfs/dbraw/zinc/36/43/34/318364334.db2.gz OKZLQTRGXROCJO-UHFFFAOYSA-N -1 2 347.270 2.309 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000571227763 319736939 /nfs/dbraw/zinc/73/69/39/319736939.db2.gz JTBSLRHSJHKWJR-UHFFFAOYSA-N -1 2 341.414 2.124 10 0 EEAELM Cc1nc(C)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)s1 ZINC000531780881 468074510 /nfs/dbraw/zinc/07/45/10/468074510.db2.gz WMRIWEDILPUEFK-UHFFFAOYSA-N -1 2 342.398 2.273 10 0 EEAELM CC(=O)c1ccc(O)c([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000634791032 470313537 /nfs/dbraw/zinc/31/35/37/470313537.db2.gz IJBFBFHIGUYWAP-UHFFFAOYSA-N -1 2 327.402 2.153 10 0 EEAELM CSCCO[N-]C(=O)C1=NN(c2cc(C)ccc2F)CC1=O ZINC001156650302 1318137371 /nfs/dbraw/zinc/13/73/71/1318137371.db2.gz RCULBHYYLZFZFT-UHFFFAOYSA-N -1 2 325.365 2.050 10 0 EEAELM COc1cc(C)c(NS(=O)(=O)c2c(C)noc2C)c(C(=O)[O-])c1 ZINC000273528381 256304438 /nfs/dbraw/zinc/30/44/38/256304438.db2.gz UAQBHYJSRWVKGM-UHFFFAOYSA-N -1 2 340.357 2.107 10 0 EEAELM Cc1ncc(S(=O)(=O)[N-]c2ccc([NH+](C)C)cc2C(=O)[O-])s1 ZINC000548210455 318365231 /nfs/dbraw/zinc/36/52/31/318365231.db2.gz NQCSAXQJPFMOEE-UHFFFAOYSA-N -1 2 341.414 2.017 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000573925259 319979511 /nfs/dbraw/zinc/97/95/11/319979511.db2.gz UBIZEDWZVWPSCN-QMTHXVAHSA-N -1 2 343.401 2.093 10 0 EEAELM Cc1cnc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c(O)c1 ZINC000427010126 241364367 /nfs/dbraw/zinc/36/43/67/241364367.db2.gz VLAUTINZXRSXCI-UHFFFAOYSA-N -1 2 326.381 2.212 10 0 EEAELM Cc1cn2cc(NS(=O)(=O)c3cc4c(cc3C)OCO4)ccc2[nH+]1 ZINC000360770731 164377630 /nfs/dbraw/zinc/37/76/30/164377630.db2.gz FYMJFUUNIHZUEC-UHFFFAOYSA-N -1 2 345.380 2.481 10 0 EEAELM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)c[nH]c2n1 ZINC000368902513 166149489 /nfs/dbraw/zinc/14/94/89/166149489.db2.gz ULLPFBKXNBJEQB-LBPRGKRZSA-N -1 2 337.383 2.387 10 0 EEAELM O=C([O-])[C@@H](CNc1nc(C(F)(F)F)ns1)Cc1ccccc1 ZINC000568396517 319485084 /nfs/dbraw/zinc/48/50/84/319485084.db2.gz LCSPQEVWQXTMDR-SECBINFHSA-N -1 2 331.319 2.334 10 0 EEAELM O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)N1 ZINC000192647234 464968225 /nfs/dbraw/zinc/96/82/25/464968225.db2.gz OPYLLJYLZYPLLD-HNNXBMFYSA-N -1 2 348.453 2.046 10 0 EEAELM Cc1cc(C)c(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)[O-])c1 ZINC000320176584 466604984 /nfs/dbraw/zinc/60/49/84/466604984.db2.gz KQELGWRELSVZHQ-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM Cc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cnc1C ZINC001153428034 1316827660 /nfs/dbraw/zinc/82/76/60/1316827660.db2.gz MQIDQDHNBCDEGL-UHFFFAOYSA-N -1 2 325.328 2.009 10 0 EEAELM O=C([O-])c1c(NS(=O)(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000547569747 318300188 /nfs/dbraw/zinc/30/01/88/318300188.db2.gz RBFWANHUWDLHHH-UHFFFAOYSA-N -1 2 340.288 2.233 10 0 EEAELM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1c([O-])cc(F)cc1F ZINC000671855471 486009755 /nfs/dbraw/zinc/00/97/55/486009755.db2.gz XKYXHZWGDAVGGW-UHFFFAOYSA-N -1 2 332.266 2.413 10 0 EEAELM O=c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)nc(-c2ccccc2)[nH]1 ZINC000459475457 245137047 /nfs/dbraw/zinc/13/70/47/245137047.db2.gz YKUAYVLBMBEKRI-LJQANCHMSA-N -1 2 341.411 2.231 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000547933605 318334905 /nfs/dbraw/zinc/33/49/05/318334905.db2.gz YOTYCHDVMAITMY-LLVKDONJSA-N -1 2 337.401 2.282 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000548196976 318364614 /nfs/dbraw/zinc/36/46/14/318364614.db2.gz NTEJPZRVZQFFMZ-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM O=c1[nH]c(C[N@H+]2CCC[C@@H](OCCO)C2)nc2c3ccccc3oc21 ZINC000360284434 465551267 /nfs/dbraw/zinc/55/12/67/465551267.db2.gz GAAAQGZUBCSBNF-GFCCVEGCSA-N -1 2 343.383 2.055 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccoc1 ZINC000349042672 465937605 /nfs/dbraw/zinc/93/76/05/465937605.db2.gz VNUALHWNTCIDLA-UHFFFAOYSA-N -1 2 329.305 2.316 10 0 EEAELM CCn1cc(S(=O)(=O)Nc2sc(C)nc2C)cc1C(=O)[O-] ZINC000270996356 539699382 /nfs/dbraw/zinc/69/93/82/539699382.db2.gz BBCVGWMLMPUBPI-UHFFFAOYSA-N -1 2 329.403 2.080 10 0 EEAELM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@H](CC)OC ZINC000421158982 314056857 /nfs/dbraw/zinc/05/68/57/314056857.db2.gz SVZFKSBRBIYFFW-VIFPVBQESA-N -1 2 349.380 2.089 10 0 EEAELM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000548236855 318367239 /nfs/dbraw/zinc/36/72/39/318367239.db2.gz AXOOJFMVPFNEMG-OPRDCNLKSA-N -1 2 331.356 2.280 10 0 EEAELM Cc1n[nH]cc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-] ZINC000681561631 486274591 /nfs/dbraw/zinc/27/45/91/486274591.db2.gz JFQUDWOUEUMUEA-UHFFFAOYSA-N -1 2 329.765 2.179 10 0 EEAELM COc1cnc([C@@H]2CCCN2C(=O)c2cnc(C(C)C)[nH]2)[nH]c1=O ZINC001413766849 1258091121 /nfs/dbraw/zinc/09/11/21/1258091121.db2.gz NDIRHMTWXZYIOT-NSHDSACASA-N -1 2 331.376 2.015 10 0 EEAELM CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC000922168200 799626985 /nfs/dbraw/zinc/62/69/85/799626985.db2.gz IOVSZDQQTAFAOH-ZDUSSCGKSA-N -1 2 328.368 2.289 10 0 EEAELM C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000459387605 245100629 /nfs/dbraw/zinc/10/06/29/245100629.db2.gz ZVBXROBGDZEILM-INIZCTEOSA-N -1 2 338.411 2.297 10 0 EEAELM C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000288608710 275075374 /nfs/dbraw/zinc/07/53/74/275075374.db2.gz UOJLPQVVSVUQOI-QXEWZRGKSA-N -1 2 341.337 2.240 10 0 EEAELM CCn1nc(C)c(S(=O)(=O)Nc2cc(C)ccc2C(=O)[O-])c1C ZINC000564669076 319100401 /nfs/dbraw/zinc/10/04/01/319100401.db2.gz YPNOVPHWYQYJLT-UHFFFAOYSA-N -1 2 337.401 2.327 10 0 EEAELM CCc1cc(=O)[nH]c(CN[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377644862 467105007 /nfs/dbraw/zinc/10/50/07/467105007.db2.gz FVYVXERXMXSZMK-QAPCUYQASA-N -1 2 330.407 2.419 10 0 EEAELM O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc(O)ccc2Cl)CC1 ZINC000625400743 470135696 /nfs/dbraw/zinc/13/56/96/470135696.db2.gz MQFUPULWIWLHGB-UHFFFAOYSA-N -1 2 344.864 2.046 10 0 EEAELM CCOC(=O)c1cccc2nc(NC(=O)c3ccc(O)cn3)[nH]c21 ZINC001180281793 800355590 /nfs/dbraw/zinc/35/55/90/800355590.db2.gz DGPNOZQIQDFDFN-UHFFFAOYSA-N -1 2 326.312 2.093 10 0 EEAELM O=c1[n-]c(SCC2CCC(CSc3n[nH]c(=O)[nH]3)CC2)n[nH]1 ZINC000447304833 242263796 /nfs/dbraw/zinc/26/37/96/242263796.db2.gz JQTWQBPLDZQXBK-UHFFFAOYSA-N -1 2 342.450 2.025 10 0 EEAELM CC1(c2nc(=NC(=O)c3nn(-c4ccccc4)cc3[O-])s[nH]2)CC1 ZINC000529698246 317629697 /nfs/dbraw/zinc/62/96/97/317629697.db2.gz NCQZBUSYJWLREA-UHFFFAOYSA-N -1 2 341.396 2.155 10 0 EEAELM CC(C)=CCSC[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548592685 318397214 /nfs/dbraw/zinc/39/72/14/318397214.db2.gz KABVCEZCJZWEAR-BDAKNGLRSA-N -1 2 349.396 2.009 10 0 EEAELM C[C@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(-n2ccnn2)cc1 ZINC000182808115 323389249 /nfs/dbraw/zinc/38/92/49/323389249.db2.gz DNJCHFWJFQDVCZ-NSHDSACASA-N -1 2 333.355 2.030 10 0 EEAELM Cc1cccc2c(=O)c(C(=O)N3CCc4cc[nH]c(=O)c4C3)c[nH]c12 ZINC000365269824 466762187 /nfs/dbraw/zinc/76/21/87/466762187.db2.gz UEYLFZNLWKTEQT-UHFFFAOYSA-N -1 2 335.363 2.136 10 0 EEAELM CCc1cc(=O)[nH]c(CN[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)n1 ZINC000377644865 467104902 /nfs/dbraw/zinc/10/49/02/467104902.db2.gz FVYVXERXMXSZMK-YJBOKZPZSA-N -1 2 330.407 2.419 10 0 EEAELM Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000013267489 207377207 /nfs/dbraw/zinc/37/72/07/207377207.db2.gz NMUUQDAVEYIMPT-UHFFFAOYSA-N -1 2 330.749 2.444 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-] ZINC000681561743 486274598 /nfs/dbraw/zinc/27/45/98/486274598.db2.gz LYQCIUFIBVAINB-UHFFFAOYSA-N -1 2 343.792 2.364 10 0 EEAELM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC001633135502 1352606068 /nfs/dbraw/zinc/60/60/68/1352606068.db2.gz GIUWOSCURQSAIW-UHFFFAOYSA-N -1 2 335.172 2.254 10 0 EEAELM Cc1[nH]nc(C(=O)Nc2c(C)c(Br)ccc2O)c1[O-] ZINC001450233617 1105306513 /nfs/dbraw/zinc/30/65/13/1105306513.db2.gz ZQLRVUQFVHEKQO-UHFFFAOYSA-N -1 2 326.150 2.453 10 0 EEAELM CCc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c(O)c1 ZINC000191251035 464808016 /nfs/dbraw/zinc/80/80/16/464808016.db2.gz JRDAGTRBYBEIRM-UHFFFAOYSA-N -1 2 342.443 2.036 10 0 EEAELM COC(=O)[C@@H]1C[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@H]1C ZINC000592127757 468632324 /nfs/dbraw/zinc/63/23/24/468632324.db2.gz PJRSUTCQSUKOKY-ZYHUDNBSSA-N -1 2 341.367 2.323 10 0 EEAELM Cn1nccc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000751547753 577755257 /nfs/dbraw/zinc/75/52/57/577755257.db2.gz ZQZAECNNBQYYSQ-UHFFFAOYSA-N -1 2 331.353 2.072 10 0 EEAELM Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000358462022 465137465 /nfs/dbraw/zinc/13/74/65/465137465.db2.gz KMDKCCRVVSCHLZ-UHFFFAOYSA-N -1 2 335.360 2.391 10 0 EEAELM O=c1[nH]c(C[N@H+]2CCC[C@H](OCCO)C2)nc2c3ccccc3oc21 ZINC000360284436 465551416 /nfs/dbraw/zinc/55/14/16/465551416.db2.gz GAAAQGZUBCSBNF-LBPRGKRZSA-N -1 2 343.383 2.055 10 0 EEAELM C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000371061103 465576549 /nfs/dbraw/zinc/57/65/49/465576549.db2.gz BTALGWDASXHPIS-RDJZCZTQSA-N -1 2 339.374 2.272 10 0 EEAELM CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)=N1 ZINC000647261845 470869927 /nfs/dbraw/zinc/86/99/27/470869927.db2.gz VSABAQSKZHHTJB-QWHCGFSZSA-N -1 2 343.383 2.123 10 0 EEAELM O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)O1 ZINC000930308295 1206548412 /nfs/dbraw/zinc/54/84/12/1206548412.db2.gz WGKOCSBLKGDGHY-VWYCJHECSA-N -1 2 335.326 2.455 10 0 EEAELM Cc1cn2ccc(C(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2[nH+]1 ZINC000071529090 215784326 /nfs/dbraw/zinc/78/43/26/215784326.db2.gz CJJUKKKHFNJGQK-UHFFFAOYSA-N -1 2 339.307 2.291 10 0 EEAELM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000540999657 318090502 /nfs/dbraw/zinc/09/05/02/318090502.db2.gz AVYWEFFGPSBTAW-UHFFFAOYSA-N -1 2 349.412 2.037 10 0 EEAELM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000378131846 467206569 /nfs/dbraw/zinc/20/65/69/467206569.db2.gz GNZJPCCKTHKXEY-UHFFFAOYSA-N -1 2 337.353 2.412 10 0 EEAELM COCCCn1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000451012851 467225390 /nfs/dbraw/zinc/22/53/90/467225390.db2.gz XWEYAWWJWNJSFJ-UHFFFAOYSA-N -1 2 345.808 2.079 10 0 EEAELM COCCCn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2O)n1 ZINC000451012851 467225394 /nfs/dbraw/zinc/22/53/94/467225394.db2.gz XWEYAWWJWNJSFJ-UHFFFAOYSA-N -1 2 345.808 2.079 10 0 EEAELM CO[C@H](C)c1nsc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000645371763 471227427 /nfs/dbraw/zinc/22/74/27/471227427.db2.gz HYJFUTXZVTUEPG-YUELXQCFSA-N -1 2 332.473 2.425 10 0 EEAELM Cc1ccc(N2CCC(NC(=O)c3ccc4n[nH]nc4c3)CC2)[nH+]c1 ZINC000124250205 463400807 /nfs/dbraw/zinc/40/08/07/463400807.db2.gz DJZKICHCWBJYNC-UHFFFAOYSA-N -1 2 336.399 2.060 10 0 EEAELM O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1 ZINC000175775693 464621807 /nfs/dbraw/zinc/62/18/07/464621807.db2.gz FWBCETGBKFCLEW-UHFFFAOYSA-N -1 2 326.396 2.154 10 0 EEAELM Cc1ccsc1-c1nc(=NC(=O)N(C)C[C@H](C)C(=O)[O-])s[nH]1 ZINC000417798694 466937622 /nfs/dbraw/zinc/93/76/22/466937622.db2.gz UHSGZGBGZYQAJR-QMMMGPOBSA-N -1 2 340.430 2.181 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000471928019 467981982 /nfs/dbraw/zinc/98/19/82/467981982.db2.gz PZPOWFBSSUTPGV-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000516171490 468016135 /nfs/dbraw/zinc/01/61/35/468016135.db2.gz JKKWDCQHZPTFGK-UHFFFAOYSA-N -1 2 341.414 2.166 10 0 EEAELM CC/C(C)=C\C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001268939687 1183837894 /nfs/dbraw/zinc/83/78/94/1183837894.db2.gz NCLAYUWVEIDCCO-BDZIDZOKSA-N -1 2 342.443 2.201 10 0 EEAELM Cc1cc(SCC(=O)NOCC(=O)[O-])c(C)cc1Br ZINC000069055052 215357352 /nfs/dbraw/zinc/35/73/52/215357352.db2.gz XMUMRWBZBAXXMT-UHFFFAOYSA-N -1 2 348.218 2.290 10 0 EEAELM CCCc1ccc(NS(=O)(=O)c2cncn2CC)c(C(=O)[O-])c1 ZINC000547915397 318333632 /nfs/dbraw/zinc/33/36/32/318333632.db2.gz HEFHNFRLOOVXGT-UHFFFAOYSA-N -1 2 337.401 2.355 10 0 EEAELM O=C1N=NC([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)O1 ZINC000930308292 1206548425 /nfs/dbraw/zinc/54/84/25/1206548425.db2.gz WGKOCSBLKGDGHY-GMTAPVOTSA-N -1 2 335.326 2.455 10 0 EEAELM O=C([O-])C1C2CCCC2CN1S(=O)(=O)c1cccc2cccnc21 ZINC000364643704 165218706 /nfs/dbraw/zinc/21/87/06/165218706.db2.gz WVVJTGPQIPIUCV-XEZPLFJOSA-N -1 2 346.408 2.109 10 0 EEAELM O=C(c1cc2c(cc1O)CCCC2)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000333030134 312080993 /nfs/dbraw/zinc/08/09/93/312080993.db2.gz HHEVRLOMEZMKPE-SFHVURJKSA-N -1 2 337.423 2.453 10 0 EEAELM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccnc1 ZINC000547935080 318335149 /nfs/dbraw/zinc/33/51/49/318335149.db2.gz QWUNYCMEIGCUNY-UHFFFAOYSA-N -1 2 336.369 2.369 10 0 EEAELM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000583693256 468742574 /nfs/dbraw/zinc/74/25/74/468742574.db2.gz HSFVJUYBULDHDC-HNNXBMFYSA-N -1 2 327.402 2.152 10 0 EEAELM CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000425329313 241126195 /nfs/dbraw/zinc/12/61/95/241126195.db2.gz SYHZRVVWGWHPCH-UHFFFAOYSA-N -1 2 328.416 2.128 10 0 EEAELM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1cccc2[nH]nnc21 ZINC000119242607 292242905 /nfs/dbraw/zinc/24/29/05/292242905.db2.gz NDEUOKMQRSRJCN-ZDUSSCGKSA-N -1 2 332.404 2.446 10 0 EEAELM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278840 463674487 /nfs/dbraw/zinc/67/44/87/463674487.db2.gz UJSXZBYXPIFFRL-UHFFFAOYSA-N -1 2 329.765 2.179 10 0 EEAELM Cc1noc(C)c1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000282005153 464665612 /nfs/dbraw/zinc/66/56/12/464665612.db2.gz WQQKXESIKOYWSY-UHFFFAOYSA-N -1 2 338.385 2.500 10 0 EEAELM O=C1N=NC([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)O1 ZINC000930308293 1206548401 /nfs/dbraw/zinc/54/84/01/1206548401.db2.gz WGKOCSBLKGDGHY-MXWKQRLJSA-N -1 2 335.326 2.455 10 0 EEAELM Cc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])nn1C ZINC000822264461 798649933 /nfs/dbraw/zinc/64/99/33/798649933.db2.gz FSTLKNALSHWKDX-UHFFFAOYSA-N -1 2 337.401 2.351 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000080672435 217325221 /nfs/dbraw/zinc/32/52/21/217325221.db2.gz RMZXFJVNQGHAAW-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)s[nH]1 ZINC000583977748 468780133 /nfs/dbraw/zinc/78/01/33/468780133.db2.gz XOPJITFWQLRHCH-MNOVXSKESA-N -1 2 349.485 2.165 10 0 EEAELM C[C@@H](CNC(=O)c1cc(O)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242672 471289774 /nfs/dbraw/zinc/28/97/74/471289774.db2.gz CVHVVUFCGOPDMP-SDDRHHMPSA-N -1 2 326.824 2.273 10 0 EEAELM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)=N1 ZINC000647262689 470869980 /nfs/dbraw/zinc/86/99/80/470869980.db2.gz KIXNDDYBDLQNSO-CMPLNLGQSA-N -1 2 347.346 2.009 10 0 EEAELM Oc1cccnc1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328597420 258041858 /nfs/dbraw/zinc/04/18/58/258041858.db2.gz GYLZDPNRRCPZKP-OAHLLOKOSA-N -1 2 340.427 2.436 10 0 EEAELM C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1c1ccc(F)cc1 ZINC000371061098 465575513 /nfs/dbraw/zinc/57/55/13/465575513.db2.gz BTALGWDASXHPIS-DOTOQJQBSA-N -1 2 339.374 2.272 10 0 EEAELM Cc1cc(=O)[nH]cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000370426778 466873329 /nfs/dbraw/zinc/87/33/29/466873329.db2.gz ZGOAXHLPVIKSKY-UHFFFAOYSA-N -1 2 331.282 2.411 10 0 EEAELM C[N@@H+](Cc1cccc(O)c1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000459574759 245171732 /nfs/dbraw/zinc/17/17/32/245171732.db2.gz UEUSMBVFZYHZPR-JSGCOSHPSA-N -1 2 341.249 2.060 10 0 EEAELM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000319327058 311594171 /nfs/dbraw/zinc/59/41/71/311594171.db2.gz OOILFOYPHDLPST-UHFFFAOYSA-N -1 2 343.430 2.412 10 0 EEAELM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cccc2[nH]nnc21 ZINC000180147125 464251828 /nfs/dbraw/zinc/25/18/28/464251828.db2.gz FHODCXJVUYUZDC-SNVBAGLBSA-N -1 2 343.337 2.245 10 0 EEAELM COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(O)cccc2O)cc1 ZINC000530274918 467971462 /nfs/dbraw/zinc/97/14/62/467971462.db2.gz REBAJRLZXWGKNT-AWEZNQCLSA-N -1 2 342.395 2.111 10 0 EEAELM COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(O)cccc2O)cc1 ZINC000530274918 467971464 /nfs/dbraw/zinc/97/14/64/467971464.db2.gz REBAJRLZXWGKNT-AWEZNQCLSA-N -1 2 342.395 2.111 10 0 EEAELM CC(C)=CCSC[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000548592694 318397506 /nfs/dbraw/zinc/39/75/06/318397506.db2.gz KABVCEZCJZWEAR-DTWKUNHWSA-N -1 2 349.396 2.009 10 0 EEAELM Cc1cn(C)nc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000663266178 472430974 /nfs/dbraw/zinc/43/09/74/472430974.db2.gz NLSGRKGTSJREPH-UHFFFAOYSA-N -1 2 349.412 2.106 10 0 EEAELM Cc1nn(C)cc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-] ZINC000672786713 486195231 /nfs/dbraw/zinc/19/52/31/486195231.db2.gz BMZCSTUTVKBFTR-UHFFFAOYSA-N -1 2 343.792 2.189 10 0 EEAELM CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC000922168199 799627526 /nfs/dbraw/zinc/62/75/26/799627526.db2.gz IOVSZDQQTAFAOH-CYBMUJFWSA-N -1 2 328.368 2.289 10 0 EEAELM COc1ccc([C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1OC ZINC000163547102 539535716 /nfs/dbraw/zinc/53/57/16/539535716.db2.gz QBXIBELGZFIJSH-SNVBAGLBSA-N -1 2 326.356 2.466 10 0 EEAELM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)[nH]n1 ZINC000080672239 217325117 /nfs/dbraw/zinc/32/51/17/217325117.db2.gz VNXJIRRMPXVGRC-UHFFFAOYSA-N -1 2 336.156 2.216 10 0 EEAELM COC(=O)[C@@H]1CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)[C@@H]1C ZINC000347086492 466380215 /nfs/dbraw/zinc/38/02/15/466380215.db2.gz DWDFISNWXYNSBK-GHMZBOCLSA-N -1 2 341.367 2.465 10 0 EEAELM CCc1cc(=O)[nH]c(CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)n1 ZINC000377644856 467105057 /nfs/dbraw/zinc/10/50/57/467105057.db2.gz FVYVXERXMXSZMK-CRAIPNDOSA-N -1 2 330.407 2.419 10 0 EEAELM N#Cc1c(F)cccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000390008239 684501848 /nfs/dbraw/zinc/50/18/48/684501848.db2.gz MSWLFTMTUNTWBD-UHFFFAOYSA-N -1 2 338.291 2.335 10 0 EEAELM CCn1nccc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000274442152 269033706 /nfs/dbraw/zinc/03/37/06/269033706.db2.gz PAQNVJBQGIKRJK-UHFFFAOYSA-N -1 2 337.401 2.111 10 0 EEAELM Cc1cc(C)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1C(=O)[O-] ZINC000291117366 275272203 /nfs/dbraw/zinc/27/22/03/275272203.db2.gz NCORFMHWSBSPPP-UHFFFAOYSA-N -1 2 349.412 2.413 10 0 EEAELM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1O ZINC000436479978 314966155 /nfs/dbraw/zinc/96/61/55/314966155.db2.gz ULWWRNHKQAONFL-UHFFFAOYSA-N -1 2 340.788 2.206 10 0 EEAELM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000548236854 318367019 /nfs/dbraw/zinc/36/70/19/318367019.db2.gz AXOOJFMVPFNEMG-KXUCPTDWSA-N -1 2 331.356 2.280 10 0 EEAELM CCn1cncc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000548524707 318394379 /nfs/dbraw/zinc/39/43/79/318394379.db2.gz SWCXJZALSWTWHJ-UHFFFAOYSA-N -1 2 329.765 2.055 10 0 EEAELM CC(C)Cc1nsc(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000563213656 318984954 /nfs/dbraw/zinc/98/49/54/318984954.db2.gz JICZNRDMGZCISV-UHFFFAOYSA-N -1 2 335.429 2.277 10 0 EEAELM C[C@H](NC(=O)c1cccc2[nH]nnc21)c1cn(-c2ccccc2)nn1 ZINC000182802498 323389413 /nfs/dbraw/zinc/38/94/13/323389413.db2.gz HBKRACICZWIUGT-NSHDSACASA-N -1 2 333.355 2.030 10 0 EEAELM O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000063911188 462681625 /nfs/dbraw/zinc/68/16/25/462681625.db2.gz RUZOHNSGSOKVFC-UHFFFAOYSA-N -1 2 328.327 2.155 10 0 EEAELM O=C(c1cccc(O)c1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000081021789 292201472 /nfs/dbraw/zinc/20/14/72/292201472.db2.gz GMULDXZMTAMGDN-UHFFFAOYSA-N -1 2 344.386 2.368 10 0 EEAELM O=c1c2ccc(O)cc2occ1-c1ccc(OS(=O)(=O)[O-])cc1 ZINC000013544730 462894393 /nfs/dbraw/zinc/89/43/93/462894393.db2.gz CQRHJEVIKOKQMO-UHFFFAOYSA-N -1 2 334.305 2.347 10 0 biogenic,in-vitro EEAELM C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccnn1CC1CCC1 ZINC001650043240 1353698162 /nfs/dbraw/zinc/69/81/62/1353698162.db2.gz XJUWNSHUXLSUII-GFCCVEGCSA-N -1 2 343.431 2.102 10 0 EEAELM CO[N-]C(=O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001651247562 1354045866 /nfs/dbraw/zinc/04/58/66/1354045866.db2.gz HQIRMPZJQWJDMD-UHFFFAOYSA-N -1 2 334.759 2.120 10 0 EEAELM COc1ccnc2[nH]cc([C@H](c3ccccc3)C(C(=O)[O-])C(=O)O)c21 ZINC000140652913 463346129 /nfs/dbraw/zinc/34/61/29/463346129.db2.gz BUQMWTQZAHORNR-ZDUSSCGKSA-N -1 2 340.335 2.489 10 0 EEAELM C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)nc1F ZINC000866497252 1201532426 /nfs/dbraw/zinc/53/24/26/1201532426.db2.gz IPXBJCIEZFOHAP-JTQLQIEISA-N -1 2 335.832 2.027 10 0 EEAELM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1c(O)cc(F)cc1F ZINC000171809508 463929424 /nfs/dbraw/zinc/92/94/24/463929424.db2.gz HFOSLRIQFGQSDD-UHFFFAOYSA-N -1 2 333.250 2.266 10 0 EEAELM COCCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000173545986 464280685 /nfs/dbraw/zinc/28/06/85/464280685.db2.gz NWMDBWBBCIUPKQ-UHFFFAOYSA-N -1 2 335.231 2.397 10 0 EEAELM COc1cnc([C@H]2CCCN2C(=O)c2cnc(C(C)C)[nH]2)[nH]c1=O ZINC001413766845 1258090819 /nfs/dbraw/zinc/09/08/19/1258090819.db2.gz NDIRHMTWXZYIOT-LLVKDONJSA-N -1 2 331.376 2.015 10 0 EEAELM CC(C)(C)c1csc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000049498942 214012707 /nfs/dbraw/zinc/01/27/07/214012707.db2.gz AEMLMVGLIFYWGW-UHFFFAOYSA-N -1 2 329.403 2.268 10 0 EEAELM O=C(c1cc2c(cc1O)CCCC2)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000333030132 312080974 /nfs/dbraw/zinc/08/09/74/312080974.db2.gz HHEVRLOMEZMKPE-GOSISDBHSA-N -1 2 337.423 2.453 10 0 EEAELM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2ccc3[nH]nnc3c2)n1 ZINC000140086509 463338201 /nfs/dbraw/zinc/33/82/01/463338201.db2.gz PWBLBEXRASUGCJ-UHFFFAOYSA-N -1 2 348.322 2.094 10 0 EEAELM CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(O)c1)c1nn[n-]n1 ZINC001412640411 1205809218 /nfs/dbraw/zinc/80/92/18/1205809218.db2.gz JQTVWZXLIFPTOA-SECBINFHSA-N -1 2 329.282 2.195 10 0 EEAELM COc1ccc2c(c1)ncc(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c2O ZINC000161930627 311371160 /nfs/dbraw/zinc/37/11/60/311371160.db2.gz XTCSRXFIXOZLAN-JTQLQIEISA-N -1 2 340.383 2.342 10 0 EEAELM CC(C)(CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000867722513 1201666054 /nfs/dbraw/zinc/66/60/54/1201666054.db2.gz BUBYNWCHIBJLCE-UHFFFAOYSA-N -1 2 349.243 2.299 10 0 EEAELM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000906011250 783656790 /nfs/dbraw/zinc/65/67/90/783656790.db2.gz OITDDZJTBNHQRK-BKDNQFJXSA-N -1 2 337.319 2.170 10 0 EEAELM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547560174 318299386 /nfs/dbraw/zinc/29/93/86/318299386.db2.gz AJVOQOWZNODCOD-UHFFFAOYSA-N -1 2 342.354 2.464 10 0 EEAELM Cc1ccsc1-c1nc(=NC(=O)N(C)C[C@@H](C)C(=O)[O-])s[nH]1 ZINC000417798693 466938040 /nfs/dbraw/zinc/93/80/40/466938040.db2.gz UHSGZGBGZYQAJR-MRVPVSSYSA-N -1 2 340.430 2.181 10 0 EEAELM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cnoc2)c1 ZINC000731340267 577094226 /nfs/dbraw/zinc/09/42/26/577094226.db2.gz MJALUBNVNSAESN-UHFFFAOYSA-N -1 2 337.140 2.480 10 0 EEAELM Cc1cc(C(=O)Nc2cnoc2C(C)C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001645334205 1352776526 /nfs/dbraw/zinc/77/65/26/1352776526.db2.gz XCZUUHXXLDAWKN-UHFFFAOYSA-N -1 2 329.316 2.108 10 0 EEAELM Cc1n[nH]c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)ccc12 ZINC000354210025 466378294 /nfs/dbraw/zinc/37/82/94/466378294.db2.gz VKOCDIAMZRVJRD-UHFFFAOYSA-N -1 2 347.352 2.076 10 0 EEAELM Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)ccc12 ZINC000354210025 466378301 /nfs/dbraw/zinc/37/83/01/466378301.db2.gz VKOCDIAMZRVJRD-UHFFFAOYSA-N -1 2 347.352 2.076 10 0 EEAELM