smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1OCc1ccccc1 ZINC000007539437 204242464 /nfs/dbraw/zinc/24/24/64/204242464.db2.gz KRERCZJIWUVHCV-UHFFFAOYSA-N -1 1 391.467 4.652 40 0 GJABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000008208088 204265131 /nfs/dbraw/zinc/26/51/31/204265131.db2.gz DKRGEKZQSPMZQT-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1c[nH]nc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257268114 212014890 /nfs/dbraw/zinc/01/48/90/212014890.db2.gz MKHHDKYEZGWHAB-NRFANRHFSA-N -1 1 375.472 4.811 40 0 GJABMM c1csc([N-]c2nccc([C@H]3CCCCN3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378113 205340024 /nfs/dbraw/zinc/34/00/24/205340024.db2.gz WARVKXIIVPOFBB-LJQANCHMSA-N -1 1 390.516 4.885 40 0 GJABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1 ZINC000223650262 206003924 /nfs/dbraw/zinc/00/39/24/206003924.db2.gz YREUWPBVWVMQNU-UHFFFAOYSA-N -1 1 399.537 4.831 40 0 GJABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 ZINC000257204381 206158979 /nfs/dbraw/zinc/15/89/79/206158979.db2.gz AUHNIFJPVDZTPV-MRXNPFEDSA-N -1 1 399.564 4.525 40 0 GJABMM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000107417995 136191898 /nfs/dbraw/zinc/19/18/98/136191898.db2.gz BNMDBLCKHAZOTG-UHFFFAOYSA-N -1 1 385.316 4.785 40 0 GJABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(Cl)cccc1Cl ZINC000008496548 533917816 /nfs/dbraw/zinc/91/78/16/533917816.db2.gz QQOPOEWSDATMOM-UHFFFAOYSA-N -1 1 381.288 4.667 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)c1 ZINC000121300256 570405626 /nfs/dbraw/zinc/40/56/26/570405626.db2.gz UAAKUSDQRMMGIP-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223666026 570477541 /nfs/dbraw/zinc/47/75/41/570477541.db2.gz SASGVIZGKGRXHD-UHFFFAOYSA-N -1 1 377.531 4.703 40 0 GJABMM CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000030032377 570485825 /nfs/dbraw/zinc/48/58/25/570485825.db2.gz ZMVIPMIFYPGWTD-UHFFFAOYSA-N -1 1 394.496 4.611 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000007601314 570760826 /nfs/dbraw/zinc/76/08/26/570760826.db2.gz OMJQVDBUWJMZPH-UHFFFAOYSA-N -1 1 398.532 4.615 40 0 GJABMM S=c1[n-]ncn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000007602595 570761532 /nfs/dbraw/zinc/76/15/32/570761532.db2.gz XJODTVWMNQHINM-UHFFFAOYSA-N -1 1 381.288 4.570 40 0 GJABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008339105 570768233 /nfs/dbraw/zinc/76/82/33/570768233.db2.gz KABUWNPNQYVQAV-UHFFFAOYSA-N -1 1 392.887 4.618 40 0 GJABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(Cl)cc1Cl ZINC000008496602 570769365 /nfs/dbraw/zinc/76/93/65/570769365.db2.gz JEMJHTNAENYDAN-UHFFFAOYSA-N -1 1 381.288 4.667 40 0 GJABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010314782 570787808 /nfs/dbraw/zinc/78/78/08/570787808.db2.gz KYNGUBRZEBHTLE-UHFFFAOYSA-N -1 1 394.496 4.611 40 0 GJABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000113936184 529686879 /nfs/dbraw/zinc/68/68/79/529686879.db2.gz VCXYAKNEJLOFBU-UHFFFAOYSA-N -1 1 394.496 4.611 40 0 GJABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000223953720 206009576 /nfs/dbraw/zinc/00/95/76/206009576.db2.gz IUTHWEGCGAWECR-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2c1 ZINC000224311653 206017890 /nfs/dbraw/zinc/01/78/90/206017890.db2.gz QXHJGLYJKMVWJJ-UHFFFAOYSA-N -1 1 397.496 4.971 40 0 GJABMM Cc1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3[O-])nc2c1 ZINC000070462059 206208351 /nfs/dbraw/zinc/20/83/51/206208351.db2.gz GFEGOLYYBDPRIB-UHFFFAOYSA-N -1 1 385.634 4.818 40 0 GJABMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000001465413 206212043 /nfs/dbraw/zinc/21/20/43/206212043.db2.gz GPRLKUAFGUBUIG-UHFFFAOYSA-N -1 1 388.169 4.952 40 0 GJABMM Cc1ccccc1Cc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[n-]c1=O ZINC000020798009 210363412 /nfs/dbraw/zinc/36/34/12/210363412.db2.gz JNDWTDRMTISHIA-UHFFFAOYSA-N -1 1 399.498 4.590 40 0 GJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000408907760 533688087 /nfs/dbraw/zinc/68/80/87/533688087.db2.gz QUYJGIXWWKMBEL-UHFFFAOYSA-N -1 1 395.484 4.748 40 0 GJABMM CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000408628203 528088765 /nfs/dbraw/zinc/08/87/65/528088765.db2.gz QTRNOHJLBVFAHE-UHFFFAOYSA-N -1 1 397.500 4.820 40 0 GJABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000022255064 570311298 /nfs/dbraw/zinc/31/12/98/570311298.db2.gz CTTTUNGHGOKBIZ-UHFFFAOYSA-N -1 1 396.921 4.712 40 0 GJABMM Cc1cc(C)n(-c2ncc(-c3c([O-])c(Cl)c(Cl)c(O)c3Cl)s2)n1 ZINC000033352977 570525915 /nfs/dbraw/zinc/52/59/15/570525915.db2.gz UFNMSEONVDLWEC-UHFFFAOYSA-N -1 1 390.679 4.984 40 0 GJABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc4ccccc4c3)cc2sc1=O ZINC000225702751 570606058 /nfs/dbraw/zinc/60/60/58/570606058.db2.gz IIIRGOKTCQGCAH-UHFFFAOYSA-N -1 1 398.509 4.598 40 0 GJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000005184714 570731805 /nfs/dbraw/zinc/73/18/05/570731805.db2.gz VMNLVRBLQWBXIY-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000007602665 570761333 /nfs/dbraw/zinc/76/13/33/570761333.db2.gz ZRBLLSOCYDFZMG-UHFFFAOYSA-N -1 1 395.315 4.879 40 0 GJABMM C[C@@H](O)c1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3)o2)cc1 ZINC000008535230 570769945 /nfs/dbraw/zinc/76/99/45/570769945.db2.gz CJEMIJRLURZIDU-CQSZACIVSA-N -1 1 392.484 4.665 40 0 GJABMM CCSc1ccc(Cc2nnc([N-]C(=O)c3nc4ccccc4s3)o2)cc1 ZINC000036659622 570783289 /nfs/dbraw/zinc/78/32/89/570783289.db2.gz CAMFDORMLBMRMR-UHFFFAOYSA-N -1 1 396.497 4.634 40 0 GJABMM Cc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000010314193 570787296 /nfs/dbraw/zinc/78/72/96/570787296.db2.gz AQHCAQUCRCMZKR-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cc([O-])ccc21 ZINC000004692322 204065718 /nfs/dbraw/zinc/06/57/18/204065718.db2.gz JNOJCKISCDAZHR-UHFFFAOYSA-N -1 1 394.426 4.731 40 0 GJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC000001064029 570239817 /nfs/dbraw/zinc/23/98/17/570239817.db2.gz HYAGKGPPKFHPHY-UHFFFAOYSA-N -1 1 379.481 4.644 40 0 GJABMM COc1cccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3o2)c1 ZINC000021579269 570306251 /nfs/dbraw/zinc/30/62/51/570306251.db2.gz HDQBHDNYYLNFJB-UHFFFAOYSA-N -1 1 394.452 4.613 40 0 GJABMM CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c([O-])c1 ZINC000408626847 570379045 /nfs/dbraw/zinc/37/90/45/570379045.db2.gz IVSHPFLYHPWCIF-UHFFFAOYSA-N -1 1 397.500 4.766 40 0 GJABMM Cc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])c1 ZINC000005795913 570457400 /nfs/dbraw/zinc/45/74/00/570457400.db2.gz AFCSSNFAAMLELE-UHFFFAOYSA-N -1 1 376.909 4.778 40 0 GJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000224555955 570518264 /nfs/dbraw/zinc/51/82/64/570518264.db2.gz YMIMZKDVCCLHOY-UHFFFAOYSA-N -1 1 386.517 4.623 40 0 GJABMM Clc1ccc([N-]c2nnc(-c3nscc3NCc3cccnc3)o2)cc1 ZINC000049089893 570661983 /nfs/dbraw/zinc/66/19/83/570661983.db2.gz XBQMEFQKOJIWAO-UHFFFAOYSA-N -1 1 384.852 4.597 40 0 GJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c(C)c1 ZINC000006023984 570737336 /nfs/dbraw/zinc/73/73/36/570737336.db2.gz NKQUDOWRJRVJML-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008339092 570768116 /nfs/dbraw/zinc/76/81/16/570768116.db2.gz RKHMGADKQQRPDE-UHFFFAOYSA-N -1 1 392.887 4.618 40 0 GJABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008338986 570768292 /nfs/dbraw/zinc/76/82/92/570768292.db2.gz UPVRIDNVGZHPAT-UHFFFAOYSA-N -1 1 390.512 4.979 40 0 GJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000409380457 534082311 /nfs/dbraw/zinc/08/23/11/534082311.db2.gz DUAYHISAGYXGPN-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000003014715 570299703 /nfs/dbraw/zinc/29/97/03/570299703.db2.gz BYAUYHGCJQVZBG-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000007601277 570760952 /nfs/dbraw/zinc/76/09/52/570760952.db2.gz XSCFOJFZIBULLS-UHFFFAOYSA-N -1 1 388.924 4.869 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000007601328 570761092 /nfs/dbraw/zinc/76/10/92/570761092.db2.gz VXNCMSUCEXFLQP-UHFFFAOYSA-N -1 1 388.924 4.869 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1C ZINC000408605374 231077694 /nfs/dbraw/zinc/07/76/94/231077694.db2.gz JYCMVGAOQJGYTC-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1cccc(O[C@H](C)c2nnc([N-]C(=O)c3cc(C(C)C)on3)s2)c1C ZINC000019235696 210232618 /nfs/dbraw/zinc/23/26/18/210232618.db2.gz XLXGGAUSSNYEMN-CYBMUJFWSA-N -1 1 386.477 4.659 40 0 GJABMM Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1C ZINC000223934422 206008867 /nfs/dbraw/zinc/00/88/67/206008867.db2.gz LADGVGAEWNGLHA-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223932653 206009303 /nfs/dbraw/zinc/00/93/03/206009303.db2.gz RTAHOAAJJQMFSO-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccc(Br)cc1 ZINC000005260281 211623265 /nfs/dbraw/zinc/62/32/65/211623265.db2.gz DIFOPPXPRNCJRV-UHFFFAOYSA-N -1 1 388.286 4.917 40 0 GJABMM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc2c(c1)CCN2 ZINC000078403711 211147627 /nfs/dbraw/zinc/14/76/27/211147627.db2.gz CIGXNZQXPKEVEH-UHFFFAOYSA-N -1 1 382.510 4.607 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000223946418 570491256 /nfs/dbraw/zinc/49/12/56/570491256.db2.gz NYVFWBYURZCSCF-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1cccc(OCC)c1OCc1ccccc1 ZINC000007601451 570760846 /nfs/dbraw/zinc/76/08/46/570760846.db2.gz ROFQQPNRHOBALO-UHFFFAOYSA-N -1 1 398.532 4.615 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000015354489 570892549 /nfs/dbraw/zinc/89/25/49/570892549.db2.gz QEKTXIPEPFXQTK-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000008180686 204264877 /nfs/dbraw/zinc/26/48/77/204264877.db2.gz XUNNIRJMUIXPSH-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000224895800 206031462 /nfs/dbraw/zinc/03/14/62/206031462.db2.gz JHVGFEVPRIXDBJ-UHFFFAOYSA-N -1 1 397.374 4.548 40 0 GJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(C)c1 ZINC000225056250 206035218 /nfs/dbraw/zinc/03/52/18/206035218.db2.gz DMNQWICAPNDWEO-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM CCc1ccc2nc(Nc3nc(C)c(Cc4cccc(C)c4)c(=O)[n-]3)nc(C)c2c1 ZINC000020797962 210362366 /nfs/dbraw/zinc/36/23/66/210362366.db2.gz FWOHVNWCOOHIPA-UHFFFAOYSA-N -1 1 399.498 4.535 40 0 GJABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408563708 528046706 /nfs/dbraw/zinc/04/67/06/528046706.db2.gz WSWHWNXWOUDBIJ-UHFFFAOYSA-N -1 1 397.500 4.514 40 0 GJABMM CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000408624041 528105478 /nfs/dbraw/zinc/10/54/78/528105478.db2.gz AQPRMLIDGZEZDJ-UHFFFAOYSA-N -1 1 397.500 4.902 40 0 GJABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1OCC ZINC000408682415 528587973 /nfs/dbraw/zinc/58/79/73/528587973.db2.gz YIUNBIDAAPSMHF-UHFFFAOYSA-N -1 1 390.288 4.592 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c1 ZINC000225051249 570545286 /nfs/dbraw/zinc/54/52/86/570545286.db2.gz QMNVAJGYEXQAMH-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000007602209 570760782 /nfs/dbraw/zinc/76/07/82/570760782.db2.gz XAPMUQBZFIUMAI-UHFFFAOYSA-N -1 1 383.864 4.660 40 0 GJABMM Cc1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000007602657 570761558 /nfs/dbraw/zinc/76/15/58/570761558.db2.gz XUXCJCDUJMBTKA-UHFFFAOYSA-N -1 1 395.315 4.879 40 0 GJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120085 570782902 /nfs/dbraw/zinc/78/29/02/570782902.db2.gz FWTOJGFWDBFBHF-UHFFFAOYSA-N -1 1 378.453 4.528 40 0 GJABMM Cc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000010314580 570787698 /nfs/dbraw/zinc/78/76/98/570787698.db2.gz VKJLGOQDAXQVAQ-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000223932573 211847536 /nfs/dbraw/zinc/84/75/36/211847536.db2.gz WLMFLNBGXVMQBE-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM S=c1[n-]ncn1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000007602525 534460295 /nfs/dbraw/zinc/46/02/95/534460295.db2.gz PKCWZHPFAHLGFP-UHFFFAOYSA-N -1 1 381.288 4.570 40 0 GJABMM CCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000408628416 528088662 /nfs/dbraw/zinc/08/86/62/528088662.db2.gz STLLZWGEJOEEPZ-UHFFFAOYSA-N -1 1 383.473 4.512 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007602302 528680167 /nfs/dbraw/zinc/68/01/67/528680167.db2.gz ZXLDNHVBMKCKOQ-UHFFFAOYSA-N -1 1 378.885 4.559 40 0 GJABMM CCCc1c(=O)[n-]c(Nc2nc(C)c3cc(C)ccc3n2)nc1-c1ccccc1 ZINC000020634030 570273481 /nfs/dbraw/zinc/27/34/81/570273481.db2.gz DIPNRZUSZRDCQC-UHFFFAOYSA-N -1 1 385.471 4.693 40 0 GJABMM CCCc1c(=O)[n-]c(Nc2nc(C)c3cccc(C)c3n2)nc1-c1ccccc1 ZINC000020634021 570273569 /nfs/dbraw/zinc/27/35/69/570273569.db2.gz LRXMNXLUURASLC-UHFFFAOYSA-N -1 1 385.471 4.693 40 0 GJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1OCC ZINC000007927704 570432520 /nfs/dbraw/zinc/43/25/20/570432520.db2.gz MQTBQDWYTYKQHY-UHFFFAOYSA-N -1 1 390.288 4.592 40 0 GJABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000225506237 570581509 /nfs/dbraw/zinc/58/15/09/570581509.db2.gz ZWHPNVQXLCMDTN-UHFFFAOYSA-N -1 1 392.546 4.510 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000007601278 570760840 /nfs/dbraw/zinc/76/08/40/570760840.db2.gz XMJQQKMAHWAHFD-UHFFFAOYSA-N -1 1 388.924 4.869 40 0 GJABMM Cc1cc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000010314857 570787717 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CCc1cccc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314252 570787309 /nfs/dbraw/zinc/78/73/09/570787309.db2.gz QITDPRMOMCJMGH-UHFFFAOYSA-N -1 1 394.496 4.611 40 0 GJABMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2C ZINC000016807641 207079264 /nfs/dbraw/zinc/07/92/64/207079264.db2.gz NJJPBFWJRJUSOD-UHFFFAOYSA-N -1 1 377.849 4.706 40 0 GJABMM O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937306 207172090 /nfs/dbraw/zinc/17/20/90/207172090.db2.gz CKVLWVSMKFHGDL-UHFFFAOYSA-N -1 1 399.475 4.840 40 0 GJABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000011613861 221118218 /nfs/dbraw/zinc/11/82/18/221118218.db2.gz IONPSOZUFRMUJA-UHFFFAOYSA-N -1 1 381.375 4.668 40 0 GJABMM c1csc([N-]c2nccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377993 222245425 /nfs/dbraw/zinc/24/54/25/222245425.db2.gz WSLSDQOKRVXBIT-IBGZPJMESA-N -1 1 388.500 4.562 40 0 GJABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc2N1 ZINC000078404111 222296357 /nfs/dbraw/zinc/29/63/57/222296357.db2.gz HLAFMRZPSJHMHN-OAHLLOKOSA-N -1 1 396.537 4.995 40 0 GJABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2N1 ZINC000078404127 222296693 /nfs/dbraw/zinc/29/66/93/222296693.db2.gz IBBWGBXUUCLSFJ-OAHLLOKOSA-N -1 1 380.469 4.636 40 0 GJABMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226862375 570462101 /nfs/dbraw/zinc/46/21/01/570462101.db2.gz ZFWSKNGCKGKJEB-UHFFFAOYSA-N -1 1 388.286 4.502 40 0 GJABMM CCOC(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1 ZINC000408990115 570689691 /nfs/dbraw/zinc/68/96/91/570689691.db2.gz MOXGHPPKCDKHOP-UHFFFAOYSA-N -1 1 382.485 4.900 40 0 GJABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000007601396 570761027 /nfs/dbraw/zinc/76/10/27/570761027.db2.gz DAPNVWYZKKMDJE-UHFFFAOYSA-N -1 1 398.532 4.533 40 0 GJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 ZINC000408923237 231131574 /nfs/dbraw/zinc/13/15/74/231131574.db2.gz UUVMWPYTYHCZBC-UHFFFAOYSA-N -1 1 397.525 4.605 40 0 GJABMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1OCCC ZINC000072414173 222257770 /nfs/dbraw/zinc/25/77/70/222257770.db2.gz GIORZXPETQLGDY-UHFFFAOYSA-N -1 1 377.506 4.682 40 0 GJABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2N1 ZINC000078404128 222297420 /nfs/dbraw/zinc/29/74/20/222297420.db2.gz IBBWGBXUUCLSFJ-HNNXBMFYSA-N -1 1 380.469 4.636 40 0 GJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000408597661 528588202 /nfs/dbraw/zinc/58/82/02/528588202.db2.gz VRTBXLCYZYKWRD-UHFFFAOYSA-N -1 1 379.787 4.558 40 0 GJABMM Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc1 ZINC000005746133 570273573 /nfs/dbraw/zinc/27/35/73/570273573.db2.gz JMEIKKZPNIJREU-UHFFFAOYSA-N -1 1 388.423 4.835 40 0 GJABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3[O-])nc2c1 ZINC000408629088 570381169 /nfs/dbraw/zinc/38/11/69/570381169.db2.gz ZCXINHMMAOPZIA-UHFFFAOYSA-N -1 1 397.500 4.622 40 0 GJABMM [O-]c1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 ZINC000005648967 570449808 /nfs/dbraw/zinc/44/98/08/570449808.db2.gz VJEYWADLANULRT-UHFFFAOYSA-N -1 1 384.464 4.676 40 0 GJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1 ZINC000223638060 570475795 /nfs/dbraw/zinc/47/57/95/570475795.db2.gz XNECNOOJYVDOIT-UHFFFAOYSA-N -1 1 397.496 4.508 40 0 GJABMM CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223920771 570490093 /nfs/dbraw/zinc/49/00/93/570490093.db2.gz SGDIOSLHYKGRCP-UHFFFAOYSA-N -1 1 394.496 4.611 40 0 GJABMM Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223932501 570491029 /nfs/dbraw/zinc/49/10/29/570491029.db2.gz SNPBNVLCWPHJEL-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000047156172 570653229 /nfs/dbraw/zinc/65/32/29/570653229.db2.gz FACWYSYABJJTMJ-UHFFFAOYSA-N -1 1 394.496 4.665 40 0 GJABMM Cc1nnc(SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[O-])[nH]1 ZINC000006588301 570748831 /nfs/dbraw/zinc/74/88/31/570748831.db2.gz JCFIPFFHLOVNIZ-AUWJEWJLSA-N -1 1 396.255 4.898 40 0 GJABMM Cc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000006588301 570748832 /nfs/dbraw/zinc/74/88/32/570748832.db2.gz JCFIPFFHLOVNIZ-AUWJEWJLSA-N -1 1 396.255 4.898 40 0 GJABMM Fc1ccc(COc2ccc3ccccc3c2CNn2cn[n-]c2=S)cc1 ZINC000007541591 570760382 /nfs/dbraw/zinc/76/03/82/570760382.db2.gz DEMHAROTOPSLSV-UHFFFAOYSA-N -1 1 380.448 4.556 40 0 GJABMM S=c1[n-]ncn1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000007602596 570761304 /nfs/dbraw/zinc/76/13/04/570761304.db2.gz QJSHEJLVGJCNOT-UHFFFAOYSA-N -1 1 381.288 4.570 40 0 GJABMM CCOc1ccc(Nc2nc(C)c(Cc3cccc4ccccc43)c(=O)[n-]2)cc1 ZINC000009939373 570777973 /nfs/dbraw/zinc/77/79/73/570777973.db2.gz VOBVRSFIJNMATB-UHFFFAOYSA-N -1 1 385.467 4.965 40 0 GJABMM CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000016439880 570913780 /nfs/dbraw/zinc/91/37/80/570913780.db2.gz JUKOZIWDDNHBKC-WUXMJOGZSA-N -1 1 377.227 4.643 40 0 GJABMM