smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nn1c(SCCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)nnc1-c1ccc(Br)cc1 ZINC000009695098 194899412 /nfs/dbraw/zinc/89/94/12/194899412.db2.gz IPCDVCQFVDVICK-UHFFFAOYSA-N -1 3 487.339 2.426 40 0 JEABHM CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]([N-]S(=O)(=O)c4cccs4)CO[C@H]23)cc1 ZINC000004235831 518373775 /nfs/dbraw/zinc/37/37/75/518373775.db2.gz SLZMMRVDTYXKPK-BURFUSLBSA-N -1 3 452.510 2.013 40 0 biogenic,in-vitro JEABHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000022524696 521990985 /nfs/dbraw/zinc/99/09/85/521990985.db2.gz HNSOJXANZCUESY-UHFFFAOYSA-N -1 3 457.961 2.165 40 0 JEABHM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000044948755 525025513 /nfs/dbraw/zinc/02/55/13/525025513.db2.gz DWRQSYMSOTWYEJ-UHFFFAOYSA-N -1 3 453.542 2.104 40 0 JEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(=O)N1CCOCC1 ZINC000022513510 525082650 /nfs/dbraw/zinc/08/26/50/525082650.db2.gz CKCAARSJNLQIDH-UHFFFAOYSA-N -1 3 459.524 2.095 40 0 JEABHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21 ZINC000022610492 527173579 /nfs/dbraw/zinc/17/35/79/527173579.db2.gz BJEIPPQVTDLUMZ-JTQLQIEISA-N -1 3 471.823 2.343 40 0 JEABHM O=S(=O)([N-]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000020033468 527232013 /nfs/dbraw/zinc/23/20/13/527232013.db2.gz LDOPMBGMCQPLQM-UHFFFAOYSA-N -1 3 465.380 2.493 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000020009978 555585954 /nfs/dbraw/zinc/58/59/54/555585954.db2.gz XLKGGRKUWGPNPA-HXUWFJFHSA-N -1 3 496.029 2.077 40 0 JEABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020032539 555607765 /nfs/dbraw/zinc/60/77/65/555607765.db2.gz WFXGCGOUMOVLRI-UHFFFAOYSA-N -1 3 489.575 2.138 40 0 JEABHM O=C(N1CCOCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000013083588 556280402 /nfs/dbraw/zinc/28/04/02/556280402.db2.gz RELFHICDPKKVCQ-HNNXBMFYSA-N -1 3 457.922 2.260 40 0 JEABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(OC)c1 ZINC000040388744 569824697 /nfs/dbraw/zinc/82/46/97/569824697.db2.gz VWAZLBAQOMNSPK-GUTXKFCHSA-N -1 3 455.515 2.334 40 0 JEABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c(OC)c1 ZINC000139075583 569866955 /nfs/dbraw/zinc/86/69/55/569866955.db2.gz VWAZLBAQOMNSPK-UMVBOHGHSA-N -1 3 455.515 2.334 40 0 JEABHM O=S(=O)([N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000224455007 569944988 /nfs/dbraw/zinc/94/49/88/569944988.db2.gz CMMIATXTZHJTQF-UHFFFAOYSA-N -1 3 495.406 2.372 40 0 JEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2)cc1 ZINC000408674669 570009341 /nfs/dbraw/zinc/00/93/41/570009341.db2.gz DZXUFSSDEIESNG-UHFFFAOYSA-N -1 3 475.567 2.297 40 0 JEABHM CC(C)n1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc21 ZINC000257331066 570147862 /nfs/dbraw/zinc/14/78/62/570147862.db2.gz XRGCGPRAOXOXBR-HYBUGGRVSA-N -1 3 499.543 2.406 40 0 JEABHM COCC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000001324988 194086137 /nfs/dbraw/zinc/08/61/37/194086137.db2.gz RPXSCYBRRNDPAR-UHFFFAOYSA-N -1 3 451.314 2.222 40 0 JEABHM COc1ccc(OCCN2c3ccccc3[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009925753 195023773 /nfs/dbraw/zinc/02/37/73/195023773.db2.gz MIMYGBAZYKZUKI-QFIPXVFZSA-N -1 3 454.508 2.276 40 0 JEABHM COc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000006161775 525021855 /nfs/dbraw/zinc/02/18/55/525021855.db2.gz NKRDTXCFVSCJAN-UHFFFAOYSA-N -1 3 494.577 2.448 40 0 JEABHM COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[n-]3)C2)cc1 ZINC000006161884 525033962 /nfs/dbraw/zinc/03/39/62/525033962.db2.gz VJGQGNNSCZWGAN-SFHVURJKSA-N -1 3 494.577 2.448 40 0 JEABHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)CC2)cc1 ZINC000022533349 525541048 /nfs/dbraw/zinc/54/10/48/525541048.db2.gz MEDUDLGSDMFIDL-UHFFFAOYSA-N -1 3 471.988 2.167 40 0 JEABHM O=S(=O)([N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccs2)n1)c1cccs1 ZINC000005433868 527244007 /nfs/dbraw/zinc/24/40/07/527244007.db2.gz PLZMACAMHSKCCI-WRFANHODSA-N -1 3 450.567 2.192 40 0 biogenic,in-vitro JEABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccccc4)C2)[n-]c3=O)cc1 ZINC000013150676 555356318 /nfs/dbraw/zinc/35/63/18/555356318.db2.gz IHEAIFLGUWGGEJ-SFHVURJKSA-N -1 3 464.551 2.440 40 0 JEABHM O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21 ZINC000019961041 555572448 /nfs/dbraw/zinc/57/24/48/555572448.db2.gz BNTXAOXBXGJVRI-SFHVURJKSA-N -1 3 461.478 2.463 40 0 JEABHM CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000010434040 555708844 /nfs/dbraw/zinc/70/88/44/555708844.db2.gz YBDSBWZKNIZDMI-UHFFFAOYSA-N -1 3 484.575 2.083 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2CC)CC(=O)N3)CC1 ZINC000038828259 569808196 /nfs/dbraw/zinc/80/81/96/569808196.db2.gz IKPLXJNRGNZIDL-MRXNPFEDSA-N -1 3 467.526 2.176 40 0 JEABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1 ZINC000038828417 569808209 /nfs/dbraw/zinc/80/82/09/569808209.db2.gz HZVKIUIITNBPRM-MRXNPFEDSA-N -1 3 453.499 2.392 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc(OC)c1OC ZINC000040389101 569824921 /nfs/dbraw/zinc/82/49/21/569824921.db2.gz STMZFLWETZXUJP-JSGCOSHPSA-N -1 3 471.514 2.239 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000107923528 569857975 /nfs/dbraw/zinc/85/79/75/569857975.db2.gz LPMLJQKHHNSLHS-UHFFFAOYSA-N -1 3 491.547 2.161 40 0 JEABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)n1 ZINC000108150455 569858881 /nfs/dbraw/zinc/85/88/81/569858881.db2.gz ADMPZSSEGPLVOS-UHFFFAOYSA-N -1 3 482.562 2.338 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc(OC)c1OC ZINC000139093354 569867099 /nfs/dbraw/zinc/86/70/99/569867099.db2.gz STMZFLWETZXUJP-TZMCWYRMSA-N -1 3 471.514 2.239 40 0 JEABHM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(C)n3)cc2)c1 ZINC000222735847 569889925 /nfs/dbraw/zinc/88/99/25/569889925.db2.gz RMMMHJQMFGYOLP-UHFFFAOYSA-N -1 3 477.568 2.210 40 0 JEABHM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3nnc(C)[nH]3)cc2)c1 ZINC000222735847 569889926 /nfs/dbraw/zinc/88/99/26/569889926.db2.gz RMMMHJQMFGYOLP-UHFFFAOYSA-N -1 3 477.568 2.210 40 0 JEABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1C ZINC000408593776 569965185 /nfs/dbraw/zinc/96/51/85/569965185.db2.gz OEJODUZMZDCPNZ-UHFFFAOYSA-N -1 3 461.584 2.322 40 0 JEABHM COC(=O)c1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc(C(=O)OC)c1 ZINC000408610380 569972462 /nfs/dbraw/zinc/97/24/62/569972462.db2.gz TXNJGEXXKUHLIM-LLVKDONJSA-N -1 3 484.914 2.227 40 0 JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O ZINC000408659360 569999535 /nfs/dbraw/zinc/99/95/35/569999535.db2.gz SEZNLMIUKCCOAG-CYBMUJFWSA-N -1 3 475.885 2.032 40 0 JEABHM CCOC(=O)COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000225928004 570028085 /nfs/dbraw/zinc/02/80/85/570028085.db2.gz LZJLOYFEPAHLRO-UHFFFAOYSA-N -1 3 468.478 2.497 40 0 JEABHM COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2[O-])cc1 ZINC000238923548 570047878 /nfs/dbraw/zinc/04/78/78/570047878.db2.gz OSPUWYWJNWIARF-JYJZCUDQSA-N -1 3 604.561 2.124 40 0 JEABHM CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c([O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000239296777 570050210 /nfs/dbraw/zinc/05/02/10/570050210.db2.gz DHEYTJVPOXJDMJ-FYQRJBHISA-N -1 3 579.580 2.044 40 0 JEABHM CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(Br)c(=O)[n-]c1=O)CO2 ZINC000257270347 570129690 /nfs/dbraw/zinc/12/96/90/570129690.db2.gz MTVWNIPPDLUNOL-FZKQIMNGSA-N -1 3 474.352 2.194 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408635414 195484749 /nfs/dbraw/zinc/48/47/49/195484749.db2.gz ATNISYXRZSVZAK-UHFFFAOYSA-N -1 3 453.948 2.302 40 0 JEABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000020032810 555608097 /nfs/dbraw/zinc/60/80/97/555608097.db2.gz DUHNVMKKDPFRST-UHFFFAOYSA-N -1 3 489.575 2.138 40 0 JEABHM CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)CC1 ZINC000033595283 569628358 /nfs/dbraw/zinc/62/83/58/569628358.db2.gz YMZOZRLQLQJJGC-UHFFFAOYSA-N -1 3 477.539 2.176 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2OCC)CC(=O)N3)CC1 ZINC000038828248 569808212 /nfs/dbraw/zinc/80/82/12/569808212.db2.gz QSTXKYVGDXTXDO-HNNXBMFYSA-N -1 3 483.525 2.013 40 0 JEABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c(OC)c1 ZINC000040388748 569824739 /nfs/dbraw/zinc/82/47/39/569824739.db2.gz VWAZLBAQOMNSPK-NFAWXSAZSA-N -1 3 455.515 2.334 40 0 JEABHM CCN1CCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)CC1 ZINC000223255865 569905110 /nfs/dbraw/zinc/90/51/10/569905110.db2.gz ZJABZGBMKYTGEY-UHFFFAOYSA-N -1 3 450.373 2.423 40 0 JEABHM O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408606914 569971389 /nfs/dbraw/zinc/97/13/89/569971389.db2.gz PIWHIIWATSLBQA-LJQANCHMSA-N -1 3 486.421 2.331 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 ZINC000408637258 569987355 /nfs/dbraw/zinc/98/73/55/569987355.db2.gz YUSQRLTWPAPHMX-UHFFFAOYSA-N -1 3 481.958 2.252 40 0 JEABHM COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000408654082 569995934 /nfs/dbraw/zinc/99/59/34/569995934.db2.gz JKGUPKVANINBQR-CYBMUJFWSA-N -1 3 475.885 2.032 40 0 JEABHM COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000408654083 569995941 /nfs/dbraw/zinc/99/59/41/569995941.db2.gz JKGUPKVANINBQR-ZDUSSCGKSA-N -1 3 475.885 2.032 40 0 JEABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 ZINC000408693278 570015943 /nfs/dbraw/zinc/01/59/43/570015943.db2.gz MIEWASZYVZINKP-UHFFFAOYSA-N -1 3 468.915 2.408 40 0 JEABHM COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000226045461 570033921 /nfs/dbraw/zinc/03/39/21/570033921.db2.gz RWOUVESPIOZIRY-UHFFFAOYSA-N -1 3 484.534 2.027 40 0 JEABHM CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3F)c([O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238950506 570048227 /nfs/dbraw/zinc/04/82/27/570048227.db2.gz YKEMJYWTAXGIRJ-NIDMROIKSA-N -1 3 576.526 2.419 40 0 JEABHM CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000408534506 570189513 /nfs/dbraw/zinc/18/95/13/570189513.db2.gz SQICTPRVQJZRBC-UHFFFAOYSA-N -1 3 465.503 2.306 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000408559601 570199931 /nfs/dbraw/zinc/19/99/31/570199931.db2.gz MTEPQABHLBYMQI-UHFFFAOYSA-N -1 3 455.330 2.488 40 0 JEABHM O=C(c1ccccn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N-]S(=O)(=O)c3cccs3)ccc12 ZINC000003841412 194363584 /nfs/dbraw/zinc/36/35/84/194363584.db2.gz MZFMGSNHHBUTFN-LSDHHAIUSA-N -1 3 456.549 2.365 40 0 biogenic,in-vitro JEABHM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1 ZINC000022520046 525023702 /nfs/dbraw/zinc/02/37/02/525023702.db2.gz XFIKQHGRIVPMSY-UHFFFAOYSA-N -1 3 467.569 2.412 40 0 JEABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000044903214 525217144 /nfs/dbraw/zinc/21/71/44/525217144.db2.gz VLTVLNUIBZXUSN-UHFFFAOYSA-N -1 3 451.932 2.398 40 0 JEABHM O=C(N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccc([O-])cc4)ccc3NC(=O)[C@H]12)c1cnccn1 ZINC000008299650 554565430 /nfs/dbraw/zinc/56/54/30/554565430.db2.gz QECFIPDRAPUMFL-AUXABGFDSA-N -1 3 455.474 2.318 40 0 biogenic,in-vitro JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000138516689 569865864 /nfs/dbraw/zinc/86/58/64/569865864.db2.gz VZIVDYKVBYYNBT-CQSZACIVSA-N -1 3 489.912 2.341 40 0 JEABHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1 ZINC000222718274 569889440 /nfs/dbraw/zinc/88/94/40/569889440.db2.gz OKERNELDKMUAHA-UHFFFAOYSA-N -1 3 462.022 2.492 40 0 JEABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223053256 569897849 /nfs/dbraw/zinc/89/78/49/569897849.db2.gz GATPGVGOMGDMNJ-CZUORRHYSA-N -1 3 453.499 2.247 40 0 JEABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000224269688 569938658 /nfs/dbraw/zinc/93/86/58/569938658.db2.gz JBPZMOLJAGCCEY-UHFFFAOYSA-N -1 3 493.401 2.065 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCCN1CCOCC1 ZINC000408593768 569965161 /nfs/dbraw/zinc/96/51/61/569965161.db2.gz ODXCFXBDYVGEKL-UHFFFAOYSA-N -1 3 467.975 2.358 40 0 JEABHM COc1ccc(CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000408617291 569976190 /nfs/dbraw/zinc/97/61/90/569976190.db2.gz CKEOULHGPVJDCO-CYBMUJFWSA-N -1 3 456.948 2.392 40 0 JEABHM COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000225574585 570006802 /nfs/dbraw/zinc/00/68/02/570006802.db2.gz DGRQIEJLEIITRK-UHFFFAOYSA-N -1 3 476.989 2.493 40 0 JEABHM COCCOc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cn1 ZINC000225928664 570028164 /nfs/dbraw/zinc/02/81/64/570028164.db2.gz YKXGHVNMNKZLCD-UHFFFAOYSA-N -1 3 457.911 2.490 40 0 JEABHM COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2[O-])cc1 ZINC000238923547 570047832 /nfs/dbraw/zinc/04/78/32/570047832.db2.gz OSPUWYWJNWIARF-FYYQJAJYSA-N -1 3 604.561 2.124 40 0 JEABHM CC(=O)N[C@H]1CC2(CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC2)OC[C@]1(C)O ZINC000257303069 570139329 /nfs/dbraw/zinc/13/93/29/570139329.db2.gz SFQYKSPRTYEVIW-URXFXBBRSA-N -1 3 462.587 2.458 40 0 JEABHM COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000005433756 523138359 /nfs/dbraw/zinc/13/83/59/523138359.db2.gz YKGRPZSBBSDGSI-RAUXBKROSA-N -1 3 474.564 2.139 40 0 biogenic,in-vitro JEABHM COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)c2cccs2)n1 ZINC000005433964 524275395 /nfs/dbraw/zinc/27/53/95/524275395.db2.gz HGWMRJNYNBNRMD-XAMWDVODSA-N -1 3 474.564 2.139 40 0 biogenic,in-vitro JEABHM 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CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)CC1 ZINC000038828335 569808285 /nfs/dbraw/zinc/80/82/85/569808285.db2.gz LOQUUICWKFGJIZ-INIZCTEOSA-N -1 3 467.526 2.231 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)CC1 ZINC000038828290 569808334 /nfs/dbraw/zinc/80/83/34/569808334.db2.gz UFDYYUNGSPDVPY-QGZVFWFLSA-N -1 3 467.526 2.231 40 0 JEABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388797 569824744 /nfs/dbraw/zinc/82/47/44/569824744.db2.gz GATPGVGOMGDMNJ-BBRMVZONSA-N -1 3 453.499 2.247 40 0 JEABHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000216486308 569879138 /nfs/dbraw/zinc/87/91/38/569879138.db2.gz BUVRVPWWQJVZRT-UHFFFAOYSA-N -1 3 457.961 2.165 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(C)n3)cc2)cc1 ZINC000222697794 569888856 /nfs/dbraw/zinc/88/88/56/569888856.db2.gz FDHRKNZNKLYDBB-UHFFFAOYSA-N -1 3 477.568 2.210 40 0 JEABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000222705775 569889081 /nfs/dbraw/zinc/88/90/81/569889081.db2.gz PFHRKQAUSOMPMF-ZDUSSCGKSA-N -1 3 460.603 2.356 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408617011 569975975 /nfs/dbraw/zinc/97/59/75/569975975.db2.gz BZSHKVBZTYQVDU-HNNXBMFYSA-N -1 3 495.985 2.089 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000408622165 569978626 /nfs/dbraw/zinc/97/86/26/569978626.db2.gz MSFCECMUZHZUJC-MRXNPFEDSA-N -1 3 451.976 2.360 40 0 JEABHM COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c(OC)c1 ZINC000408657900 569998528 /nfs/dbraw/zinc/99/85/28/569998528.db2.gz PTJCOYJCMHQRII-ZDUSSCGKSA-N -1 3 475.885 2.032 40 0 JEABHM CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)CC1 ZINC000408676299 570010656 /nfs/dbraw/zinc/01/06/56/570010656.db2.gz MYNBHPJHJRPCGB-UHFFFAOYSA-N -1 3 461.540 2.475 40 0 JEABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3)c2)n1 ZINC000226087712 570036887 /nfs/dbraw/zinc/03/68/87/570036887.db2.gz WZESLTHMAHMVKH-UHFFFAOYSA-N -1 3 456.524 2.450 40 0 JEABHM CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1 ZINC000257210260 570111070 /nfs/dbraw/zinc/11/10/70/570111070.db2.gz BTVKIXIFPZAGNJ-OAHLLOKOSA-N -1 3 456.934 2.121 40 0 JEABHM CC(C)c1ccc([O-])c(C(=O)N2CCC3(CC2)C[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)CO3)c1 ZINC000257240859 570120526 /nfs/dbraw/zinc/12/05/26/570120526.db2.gz HVMISKUIGIKLIO-CVDCTZTESA-N -1 3 457.527 2.165 40 0 JEABHM CN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1 ZINC000408560289 570200382 /nfs/dbraw/zinc/20/03/82/570200382.db2.gz OIRACOZAXYGVBN-UHFFFAOYSA-N -1 3 468.373 2.403 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCCN1CCOCC1 ZINC000408589353 570208740 /nfs/dbraw/zinc/20/87/40/570208740.db2.gz FEFVAAYTJJNOMZ-UHFFFAOYSA-N -1 3 498.399 2.077 40 0 JEABHM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc([O-])c(I)c3)C2=O)o1 ZINC000034690794 569645826 /nfs/dbraw/zinc/64/58/26/569645826.db2.gz PMVRWTSOYYMMJR-GHXNOFRVSA-N -1 3 468.203 2.469 40 0 JEABHM COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c(I)c1Cl ZINC000036611843 569777637 /nfs/dbraw/zinc/77/76/37/569777637.db2.gz VPFLZBOTSZHUCN-NSHDSACASA-N -1 3 452.632 2.460 40 0 JEABHM COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C21 ZINC000101025441 569779820 /nfs/dbraw/zinc/77/98/20/569779820.db2.gz IVWIRFXXLFTTTL-FXPVBKGRSA-N -1 3 455.311 2.119 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2OCC)CC(=O)N3)CC1 ZINC000038828246 569808200 /nfs/dbraw/zinc/80/82/00/569808200.db2.gz QSTXKYVGDXTXDO-OAHLLOKOSA-N -1 3 483.525 2.013 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2CC)CC(=O)N3)CC1 ZINC000038828261 569808203 /nfs/dbraw/zinc/80/82/03/569808203.db2.gz IKPLXJNRGNZIDL-INIZCTEOSA-N -1 3 467.526 2.176 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)CC1 ZINC000038828288 569808279 /nfs/dbraw/zinc/80/82/79/569808279.db2.gz UFDYYUNGSPDVPY-KRWDZBQOSA-N -1 3 467.526 2.231 40 0 JEABHM COc1ccc(OC)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388684 569824456 /nfs/dbraw/zinc/82/44/56/569824456.db2.gz IQCREORWFRODAQ-GUTXKFCHSA-N -1 3 455.515 2.334 40 0 JEABHM CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000138895236 569866616 /nfs/dbraw/zinc/86/66/16/569866616.db2.gz DAZASAAFVZPYSS-HNNXBMFYSA-N -1 3 457.870 2.218 40 0 JEABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 ZINC000139112734 569867250 /nfs/dbraw/zinc/86/72/50/569867250.db2.gz UIEAOWAYIHJOKQ-LSDHHAIUSA-N -1 3 453.499 2.375 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCSc1nc[nH]n1 ZINC000222714073 569889352 /nfs/dbraw/zinc/88/93/52/569889352.db2.gz DXHFEEIAFNQLBW-UHFFFAOYSA-N -1 3 451.505 2.032 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000223384500 569909473 /nfs/dbraw/zinc/90/94/73/569909473.db2.gz UXSIGDPRAUFDII-UHFFFAOYSA-N -1 3 470.569 2.142 40 0 JEABHM CCCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1 ZINC000224666548 569952892 /nfs/dbraw/zinc/95/28/92/569952892.db2.gz WYJQYHZNEXDSJS-UHFFFAOYSA-N -1 3 458.587 2.322 40 0 JEABHM COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)s1 ZINC000225073093 569973356 /nfs/dbraw/zinc/97/33/56/569973356.db2.gz XOJLXQNGSUSDOU-UHFFFAOYSA-N -1 3 486.597 2.239 40 0 JEABHM CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000408653108 569995327 /nfs/dbraw/zinc/99/53/27/569995327.db2.gz HYLHMDPAFRWCNO-OAHLLOKOSA-N -1 3 457.870 2.218 40 0 JEABHM CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000408653107 569995401 /nfs/dbraw/zinc/99/54/01/569995401.db2.gz HYLHMDPAFRWCNO-HNNXBMFYSA-N -1 3 457.870 2.218 40 0 JEABHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]c1nnc(SC(C)C)s1 ZINC000225596885 570008599 /nfs/dbraw/zinc/00/85/99/570008599.db2.gz MCCZMTNGKAJJEH-UHFFFAOYSA-N -1 3 458.587 2.320 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)c(C)c2)cc1 ZINC000408674541 570009263 /nfs/dbraw/zinc/00/92/63/570009263.db2.gz AASJFUXQLCXTQW-UHFFFAOYSA-N -1 3 477.583 2.022 40 0 JEABHM CN(C)CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(C(=O)COCC(=O)[O-])CC[C@H]3O[C@@H]21 ZINC000257243717 570121141 /nfs/dbraw/zinc/12/11/41/570121141.db2.gz IIGAHVYXCLDFRI-UYCVCSCRSA-N -1 3 476.570 2.194 40 0 JEABHM CCn1c(C)nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc21 ZINC000257267741 570128790 /nfs/dbraw/zinc/12/87/90/570128790.db2.gz MIOVCQIVJLUSCE-HYBUGGRVSA-N -1 3 499.543 2.153 40 0 JEABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409172552 570155485 /nfs/dbraw/zinc/15/54/85/570155485.db2.gz KQPSFHKSALBAJE-UHFFFAOYSA-N -1 3 486.377 2.345 40 0 JEABHM CC(C)(C)OC(=O)NCCCC[C@H](NC1(CNC(=O)OCc2ccccc2)COC1)C(=O)[O-] ZINC000306145970 570178863 /nfs/dbraw/zinc/17/88/63/570178863.db2.gz XPKYPKXHPQCTFO-SFHVURJKSA-N -1 3 465.547 2.420 40 0 JEABHM COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccc4c(c3)OCO4)[n-]c2=O)cc1 ZINC000022720590 523248992 /nfs/dbraw/zinc/24/89/92/523248992.db2.gz TZJMDRUOACZZHT-UHFFFAOYSA-N -1 3 452.452 2.360 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(CC)cc2)CC(=O)N3)CC1 ZINC000038828189 569808091 /nfs/dbraw/zinc/80/80/91/569808091.db2.gz UOXFCASZEHUGJE-QGZVFWFLSA-N -1 3 467.526 2.176 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OCC)cc2)CC(=O)N3)CC1 ZINC000038828207 569808105 /nfs/dbraw/zinc/80/81/05/569808105.db2.gz QAIMKFBKKZSWKD-QGZVFWFLSA-N -1 3 483.525 2.013 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)CC1 ZINC000038828269 569808206 /nfs/dbraw/zinc/80/82/06/569808206.db2.gz QLIOIBCOCTYYBY-QGZVFWFLSA-N -1 3 467.526 2.231 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc(OC)c1OC ZINC000139081765 569866983 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RLSQJQPXPULUDO-UHFFFAOYSA-N -1 3 472.523 2.022 40 0 JEABHM CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000226085809 570036802 /nfs/dbraw/zinc/03/68/02/570036802.db2.gz OAMQICXBUJBTNL-UHFFFAOYSA-N -1 3 456.524 2.451 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCCN1CCOCC1 ZINC000408588744 570208615 /nfs/dbraw/zinc/20/86/15/570208615.db2.gz DVPSKGUXBNIOGR-UHFFFAOYSA-N -1 3 487.500 2.333 40 0 JEABHM CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]([N-]S(=O)(=O)Cc4ccccc4)CO[C@H]23)cc1 ZINC000004235832 518374474 /nfs/dbraw/zinc/37/44/74/518374474.db2.gz NMANOVXEQYYRDE-DOIPELPJSA-N -1 3 460.508 2.092 40 0 biogenic,in-vitro JEABHM CC(=O)N1CCCN(CC[C@H]2CN(C(=O)c3ccnc(Cl)c3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481100 519526241 /nfs/dbraw/zinc/52/62/41/519526241.db2.gz AESKMZLXPSQNTD-HKUYNNGSSA-N -1 3 450.967 2.232 40 0 biogenic,in-vitro JEABHM CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)CSCC(=O)[O-])C1 ZINC000004237225 521932633 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COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1Cl ZINC000408591133 570209208 /nfs/dbraw/zinc/20/92/08/570209208.db2.gz IZVLEKGFERDTHP-UHFFFAOYSA-N -1 3 498.001 2.367 40 0 JEABHM COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000005413225 523138815 /nfs/dbraw/zinc/13/88/15/523138815.db2.gz XZANQSAWLQRRSU-MYDTUXCISA-N -1 3 482.562 2.219 40 0 biogenic,in-vitro JEABHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21 ZINC000022610490 527173690 /nfs/dbraw/zinc/17/36/90/527173690.db2.gz BJEIPPQVTDLUMZ-SNVBAGLBSA-N -1 3 471.823 2.343 40 0 JEABHM O=C1Nc2ccc(Br)cc2C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)[C@@H]12 ZINC000008297869 554565245 /nfs/dbraw/zinc/56/52/45/554565245.db2.gz LPKRDSDTVICSFA-JSGCOSHPSA-N -1 3 456.343 2.024 40 0 biogenic,in-vitro JEABHM O=C(N1CCOCC1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000013083112 556278810 /nfs/dbraw/zinc/27/88/10/556278810.db2.gz DFOOXZUGNPGDRT-UHFFFAOYSA-N -1 3 457.922 2.260 40 0 JEABHM CS(=O)(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000013083207 556279164 /nfs/dbraw/zinc/27/91/64/556279164.db2.gz ZUXCKFPXIMKGMO-UHFFFAOYSA-N -1 3 457.343 2.421 40 0 JEABHM O=C(N1CCOCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000013083190 556279194 /nfs/dbraw/zinc/27/91/94/556279194.db2.gz YUVYXSZMWBYYLJ-UHFFFAOYSA-N -1 3 457.922 2.260 40 0 JEABHM CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OCC)cc2)CC(=O)N3)CC1 ZINC000038828208 569808023 /nfs/dbraw/zinc/80/80/23/569808023.db2.gz QAIMKFBKKZSWKD-KRWDZBQOSA-N -1 3 483.525 2.013 40 0 JEABHM CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000138853848 569866532 /nfs/dbraw/zinc/86/65/32/569866532.db2.gz SJAZYYHPWMKHTG-HNNXBMFYSA-N -1 3 487.896 2.192 40 0 JEABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1[O-] ZINC000214316486 569876573 /nfs/dbraw/zinc/87/65/73/569876573.db2.gz NAHKNIGWXIALMT-NTEUORMPSA-N -1 3 471.329 2.449 40 0 JEABHM CN(C)S(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000224231365 569937365 /nfs/dbraw/zinc/93/73/65/569937365.db2.gz CWPDYSSURHLXBC-UHFFFAOYSA-N -1 3 450.941 2.228 40 0 JEABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1OC ZINC000408600611 569968623 /nfs/dbraw/zinc/96/86/23/569968623.db2.gz BFCAYLXKEPKCAA-HNNXBMFYSA-N -1 3 450.513 2.131 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCCCN1CCOCC1 ZINC000408601364 569969015 /nfs/dbraw/zinc/96/90/15/569969015.db2.gz GAAHSPYDHYZGHS-UHFFFAOYSA-N -1 3 467.975 2.358 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408617015 569975968 /nfs/dbraw/zinc/97/59/68/569975968.db2.gz BZSHKVBZTYQVDU-OAHLLOKOSA-N -1 3 495.985 2.089 40 0 JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000408650500 569993727 /nfs/dbraw/zinc/99/37/27/569993727.db2.gz BBJKUMNSRMTGDL-CQSZACIVSA-N -1 3 489.912 2.341 40 0 JEABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000408678672 570011332 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/nfs/dbraw/zinc/86/65/72/569866572.db2.gz NRDFFVLGRFVALC-AWEZNQCLSA-N -1 3 489.912 2.341 40 0 JEABHM COc1ccc(OC)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000139073627 569867009 /nfs/dbraw/zinc/86/70/09/569867009.db2.gz IQCREORWFRODAQ-VNHYZAJKSA-N -1 3 455.515 2.334 40 0 JEABHM COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224419083 569944033 /nfs/dbraw/zinc/94/40/33/569944033.db2.gz RZRACZQCVPLJSA-UHFFFAOYSA-N -1 3 472.560 2.366 40 0 JEABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1Cl ZINC000408610072 569972327 /nfs/dbraw/zinc/97/23/27/569972327.db2.gz UVARQJXQMKZGTG-UHFFFAOYSA-N -1 3 467.975 2.276 40 0 JEABHM COC(=O)c1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc(C(=O)OC)c1 ZINC000408610381 569972439 /nfs/dbraw/zinc/97/24/39/569972439.db2.gz TXNJGEXXKUHLIM-NSHDSACASA-N -1 3 484.914 2.227 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000408622163 569978646 /nfs/dbraw/zinc/97/86/46/569978646.db2.gz 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2.484 40 0 JEABHM CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000226071354 570035830 /nfs/dbraw/zinc/03/58/30/570035830.db2.gz BROSJEZNZLTNRW-UHFFFAOYSA-N -1 3 456.524 2.403 40 0 JEABHM CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000226073691 570035932 /nfs/dbraw/zinc/03/59/32/570035932.db2.gz HIVOFMDBYVMUGY-UHFFFAOYSA-N -1 3 456.524 2.403 40 0 JEABHM CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1 ZINC000257210259 570111087 /nfs/dbraw/zinc/11/10/87/570111087.db2.gz BTVKIXIFPZAGNJ-HNNXBMFYSA-N -1 3 456.934 2.121 40 0 JEABHM NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1 ZINC000408557238 570198107 /nfs/dbraw/zinc/19/81/07/570198107.db2.gz FVETZJPRHZBGRQ-UHFFFAOYSA-N -1 3 496.383 2.353 40 0 JEABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)c(Cl)c2)cc1 ZINC000408587057 570208260 /nfs/dbraw/zinc/20/82/60/570208260.db2.gz BDWOZFSIUSHWMM-UHFFFAOYSA-N -1 3 467.975 2.276 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCCN1CCOCC1 ZINC000408588455 570208570 /nfs/dbraw/zinc/20/85/70/570208570.db2.gz CUIUROVUSAELDL-UHFFFAOYSA-N -1 3 471.938 2.107 40 0 JEABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)N4CCOCC4)CC2)[n-]c3=O)cc1 ZINC000001324752 194085780 /nfs/dbraw/zinc/08/57/80/194085780.db2.gz QZXJRIIZMFUBDJ-UHFFFAOYSA-N -1 3 479.585 2.492 40 0 JEABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000020050566 555619682 /nfs/dbraw/zinc/61/96/82/555619682.db2.gz BLFWJPOLUPYQJB-UHFFFAOYSA-N -1 3 467.569 2.494 40 0 JEABHM CCCc1nc(C)c2c(=O)[n-]c(-c3cc(OCC)ccc3S(=O)(=O)N3CCN(CC)CC3)nn12 ZINC000021985943 555859553 /nfs/dbraw/zinc/85/95/53/555859553.db2.gz LFWVHRZBSXWGQS-UHFFFAOYSA-N -1 3 488.614 2.070 40 0 JEABHM O=C(N1CCOCC1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000013083329 556279425 /nfs/dbraw/zinc/27/94/25/556279425.db2.gz LOLCPYNVROCJCY-HNNXBMFYSA-N -1 3 457.922 2.260 40 0 JEABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000033591518 569628432 /nfs/dbraw/zinc/62/84/32/569628432.db2.gz CZTKCSJQDSWXPU-UHFFFAOYSA-N -1 3 475.548 2.461 40 0 JEABHM CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000138853731 569866484 /nfs/dbraw/zinc/86/64/84/569866484.db2.gz SJAZYYHPWMKHTG-OAHLLOKOSA-N -1 3 487.896 2.192 40 0 JEABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(OC)c1 ZINC000139075354 569866952 /nfs/dbraw/zinc/86/69/52/569866952.db2.gz VWAZLBAQOMNSPK-VNHYZAJKSA-N -1 3 455.515 2.334 40 0 JEABHM COc1ccc(OC)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000139073738 569866974 /nfs/dbraw/zinc/86/69/74/569866974.db2.gz IQCREORWFRODAQ-KCQAQPDRSA-N -1 3 455.515 2.334 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc(OC)c1OC ZINC000139081650 569866998 /nfs/dbraw/zinc/86/69/98/569866998.db2.gz AJJOVVXGKYQDKS-TZMCWYRMSA-N -1 3 471.514 2.097 40 0 JEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)cc1 ZINC000222704332 569889077 /nfs/dbraw/zinc/88/90/77/569889077.db2.gz VWNTUYTVCFUFFG-UHFFFAOYSA-N -1 3 477.568 2.292 40 0 JEABHM COc1ccc(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1C(=O)N1CCCC1 ZINC000225958812 570029813 /nfs/dbraw/zinc/02/98/13/570029813.db2.gz PDHTUTHYGQQWAT-QFIPXVFZSA-N -1 3 463.531 2.473 40 0 JEABHM COc1ccc(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1C(=O)N1CCCC1 ZINC000225958829 570029826 /nfs/dbraw/zinc/02/98/26/570029826.db2.gz PDHTUTHYGQQWAT-JOCHJYFZSA-N -1 3 463.531 2.473 40 0 JEABHM COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1OC ZINC000226056739 570034817 /nfs/dbraw/zinc/03/48/17/570034817.db2.gz QRUULCCJUVYSJC-UHFFFAOYSA-N -1 3 472.523 2.022 40 0 JEABHM CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c([O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238924272 570047986 /nfs/dbraw/zinc/04/79/86/570047986.db2.gz RNTZZLCNXJPCLR-PCPRHZMTSA-N -1 3 616.572 2.051 40 0 JEABHM COc1ccc(OCCN2c3ccccc3[C@@]3(SC([N-]C(C)=O)=NN3C(C)=O)C2=O)cc1 ZINC000009925752 195023859 /nfs/dbraw/zinc/02/38/59/195023859.db2.gz MIMYGBAZYKZUKI-JOCHJYFZSA-N -1 3 454.508 2.276 40 0 JEABHM Cc1ccnc(SCc2cc(=O)[n-]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)n1 ZINC000013611332 555534298 /nfs/dbraw/zinc/53/42/98/555534298.db2.gz HCDBAIVVZHMKBO-UHFFFAOYSA-N -1 3 452.540 2.212 40 0 JEABHM CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000020038632 555612484 /nfs/dbraw/zinc/61/24/84/555612484.db2.gz XGWAQWNHUXTADJ-HNNXBMFYSA-N -1 3 484.575 2.083 40 0 JEABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1 ZINC000010314167 555679636 /nfs/dbraw/zinc/67/96/36/555679636.db2.gz ODSTYBQMTQMPIS-UHFFFAOYSA-N -1 3 480.612 2.253 40 0 JEABHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000018703444 556323530 /nfs/dbraw/zinc/32/35/30/556323530.db2.gz KZVWQJBEPCUUQR-UHFFFAOYSA-N -1 3 460.537 2.487 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc(OC)c1OC ZINC000040388865 569824662 /nfs/dbraw/zinc/82/46/62/569824662.db2.gz AJJOVVXGKYQDKS-OCCSQVGLSA-N -1 3 471.514 2.097 40 0 JEABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388796 569824767 /nfs/dbraw/zinc/82/47/67/569824767.db2.gz GATPGVGOMGDMNJ-XJKSGUPXSA-N -1 3 453.499 2.247 40 0 JEABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 ZINC000040390523 569825164 /nfs/dbraw/zinc/82/51/64/569825164.db2.gz UIEAOWAYIHJOKQ-CABCVRRESA-N -1 3 453.499 2.375 40 0 JEABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(OC)c1 ZINC000139075463 569867022 /nfs/dbraw/zinc/86/70/22/569867022.db2.gz VWAZLBAQOMNSPK-KCQAQPDRSA-N -1 3 455.515 2.334 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc(OC)c1OC ZINC000139093468 569867058 /nfs/dbraw/zinc/86/70/58/569867058.db2.gz STMZFLWETZXUJP-GXTWGEPZSA-N -1 3 471.514 2.239 40 0 JEABHM COc1ccccc1N1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000408624630 569979835 /nfs/dbraw/zinc/97/98/35/569979835.db2.gz QXWFVSMSVQYCTA-OAHLLOKOSA-N -1 3 467.975 2.373 40 0 JEABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408627284 569981053 /nfs/dbraw/zinc/98/10/53/569981053.db2.gz ZDUVBQAIJHMHMB-NSHDSACASA-N -1 3 486.930 2.458 40 0 JEABHM CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1 ZINC000408652603 569995004 /nfs/dbraw/zinc/99/50/04/569995004.db2.gz GEFKVDVJQTYRFJ-CQSZACIVSA-N -1 3 459.886 2.414 40 0 JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O ZINC000408659362 569999548 /nfs/dbraw/zinc/99/95/48/569999548.db2.gz SEZNLMIUKCCOAG-ZDUSSCGKSA-N -1 3 475.885 2.032 40 0 JEABHM COCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325037 194086178 /nfs/dbraw/zinc/08/61/78/194086178.db2.gz ANQKHMNSCURWIL-UHFFFAOYSA-N -1 3 451.314 2.222 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc(OC)c1OC ZINC000022610250 522714209 /nfs/dbraw/zinc/71/42/09/522714209.db2.gz VDRWQHKPLOGSNJ-AWEZNQCLSA-N -1 3 471.514 2.097 40 0 JEABHM CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[n-]2)CC1 ZINC000013565052 555500872 /nfs/dbraw/zinc/50/08/72/555500872.db2.gz YOUNUQNOXYLGLG-UHFFFAOYSA-N -1 3 476.896 2.015 40 0 JEABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000020009975 555585964 /nfs/dbraw/zinc/58/59/64/555585964.db2.gz XLKGGRKUWGPNPA-FQEVSTJZSA-N -1 3 496.029 2.077 40 0 JEABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000020032551 555607814 /nfs/dbraw/zinc/60/78/14/555607814.db2.gz WKZZJWPVOOMWKT-UHFFFAOYSA-N -1 3 489.575 2.138 40 0 JEABHM COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C21 ZINC000013017261 556209295 /nfs/dbraw/zinc/20/92/95/556209295.db2.gz IVWIRFXXLFTTTL-KKZNHRDASA-N -1 3 455.311 2.119 40 0 JEABHM 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JEABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(OC)c1OC ZINC000224600674 569950136 /nfs/dbraw/zinc/95/01/36/569950136.db2.gz ZTKPTJRXRHWRNV-UHFFFAOYSA-N -1 3 464.525 2.295 40 0 JEABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCCCN1CCOCC1 ZINC000408595640 569966386 /nfs/dbraw/zinc/96/63/86/569966386.db2.gz SLWRKEVJTCJKAB-UHFFFAOYSA-N -1 3 485.965 2.497 40 0 JEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)c(Cl)c2)cc1 ZINC000408637138 569987148 /nfs/dbraw/zinc/98/71/48/569987148.db2.gz YLBZLYHGUNDVPJ-UHFFFAOYSA-N -1 3 498.001 2.367 40 0 JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O ZINC000408660083 569999987 /nfs/dbraw/zinc/99/99/87/569999987.db2.gz UNXIUOAVDKTFHE-ZDUSSCGKSA-N -1 3 475.885 2.032 40 0 JEABHM O=S(=O)([N-]c1ccc(OCCOCCO)cc1)c1ccc(I)cc1 ZINC000226855289 570038976 /nfs/dbraw/zinc/03/89/76/570038976.db2.gz AKWJUFAHOOLSSY-UHFFFAOYSA-N -1 3 463.293 2.480 40 0 JEABHM CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c([O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000239296778 570050257 /nfs/dbraw/zinc/05/02/57/570050257.db2.gz DHEYTJVPOXJDMJ-IYMLOVEFSA-N -1 3 579.580 2.044 40 0 JEABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)c1 ZINC000408590503 570209012 /nfs/dbraw/zinc/20/90/12/570209012.db2.gz HOXCUFANBJFERM-UHFFFAOYSA-N -1 3 461.584 2.322 40 0 JEABHM CC(=O)Nc1ccc(S(=O)(=O)NN=c2nc(N3CCCCC3)nc(N3CCCCC3)[n-]2)cc1 ZINC000008615730 519731316 /nfs/dbraw/zinc/73/13/16/519731316.db2.gz BAWNJLQNUNOTAO-UHFFFAOYSA-N -1 3 474.591 2.116 40 0 JEABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 ZINC000020494048 521684467 /nfs/dbraw/zinc/68/44/67/521684467.db2.gz HXCBZOJPXJIQLO-UHFFFAOYSA-N -1 3 455.558 2.396 40 0 JEABHM COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc(OC)c1OC ZINC000022610248 522706973 /nfs/dbraw/zinc/70/69/73/522706973.db2.gz VDRWQHKPLOGSNJ-CQSZACIVSA-N -1 3 471.514 2.097 40 0 JEABHM COc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1 ZINC000022721114 524167018 /nfs/dbraw/zinc/16/70/18/524167018.db2.gz BXGAAZKCLZYUSH-UHFFFAOYSA-N -1 3 480.506 2.326 40 0 JEABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000020460857 525216421 /nfs/dbraw/zinc/21/64/21/525216421.db2.gz HJFFLAPRKASKMQ-UHFFFAOYSA-N -1 3 451.932 2.398 40 0 JEABHM COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000005434210 554491003 /nfs/dbraw/zinc/49/10/03/554491003.db2.gz KBZFURAKCZPWEP-JFJDKTSWSA-N -1 3 482.562 2.219 40 0 biogenic,in-vitro JEABHM CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008253639 554564407 /nfs/dbraw/zinc/56/44/07/554564407.db2.gz DRUJBOVJCAENTP-CJRSTVEYSA-N -1 3 495.605 2.276 40 0 biogenic,in-vitro JEABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022227919 555886754 /nfs/dbraw/zinc/88/67/54/555886754.db2.gz SCEQCRQZTHOZKA-UHFFFAOYSA-N -1 3 489.015 2.281 40 0 JEABHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12 ZINC000013084107 556281434 /nfs/dbraw/zinc/28/14/34/556281434.db2.gz NEPGMWSZSMVWOU-UHFFFAOYSA-N -1 3 479.497 2.287 40 0 JEABHM COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc(C(=O)OC)c1 ZINC000040399190 569826078 /nfs/dbraw/zinc/82/60/78/569826078.db2.gz XMGPYSLFYZWWAD-INIZCTEOSA-N -1 3 491.460 2.151 40 0 JEABHM COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000138516819 569865862 /nfs/dbraw/zinc/86/58/62/569865862.db2.gz VZIVDYKVBYYNBT-AWEZNQCLSA-N -1 3 489.912 2.341 40 0 JEABHM CCSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1 ZINC000225000024 569968358 /nfs/dbraw/zinc/96/83/58/569968358.db2.gz UBYHVCNPTSNCQY-UHFFFAOYSA-N -1 3 462.022 2.492 40 0 JEABHM COc1ccccc1N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000408624626 569979813 /nfs/dbraw/zinc/97/98/13/569979813.db2.gz QXWFVSMSVQYCTA-HNNXBMFYSA-N -1 3 467.975 2.373 40 0 JEABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1C ZINC000225566710 570006147 /nfs/dbraw/zinc/00/61/47/570006147.db2.gz LHTBAOQDMSQHFV-UHFFFAOYSA-N -1 3 467.613 2.357 40 0 JEABHM COc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)s2)cc1 ZINC000225621434 570010262 /nfs/dbraw/zinc/01/02/62/570010262.db2.gz NTAGIESWWNNLKN-UHFFFAOYSA-N -1 3 490.563 2.496 40 0 JEABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000408593170 570209727 /nfs/dbraw/zinc/20/97/27/570209727.db2.gz MVPWKYRTXHGHQF-UHFFFAOYSA-N -1 3 477.583 2.103 40 0 JEABHM