smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000001179571 568821453 /nfs/dbraw/zinc/82/14/53/568821453.db2.gz MJXOHVARUYJWBD-YVLHZVERSA-N -1 1 419.955 5.115 40 10 HKCBMM CC(C)=CCc1c(=O)c2c([O-])c(-c3ccc(O)c(O)c3)coc-2c2c1OC(C)(C)CC2 ZINC000001583706 569074147 /nfs/dbraw/zinc/07/41/47/569074147.db2.gz AFXRALVWINXBHQ-UHFFFAOYSA-N -1 1 422.477 5.189 40 10 HKCBMM O=C(c1ccccc1)c1cc(C[NH+](C2CCCCC2)C2CCCCC2)c([O-])cc1[O-] ZINC000001701307 557281748 /nfs/dbraw/zinc/28/17/48/557281748.db2.gz NUFTWVIZQJXPHZ-UHFFFAOYSA-N -1 1 407.554 5.796 40 10 HKCBMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1 ZINC000005259967 569255657 /nfs/dbraw/zinc/25/56/57/569255657.db2.gz PGDYHUZLMOJXCV-UHFFFAOYSA-N -1 1 423.534 5.287 40 10 HKCBMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000005538522 560737899 /nfs/dbraw/zinc/73/78/99/560737899.db2.gz ZVFCHSYMRKYHBU-UHFFFAOYSA-N -1 1 413.926 5.297 40 10 HKCBMM CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)c(O)c4)coc1-3)C=CC(C)(C)O2 ZINC000005601526 291286346 /nfs/dbraw/zinc/28/63/46/291286346.db2.gz PSEBCAMYGWGJMH-UHFFFAOYSA-N -1 1 420.461 5.270 40 10 biogenic,in-vitro HKCBMM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3[O-])C2=O)cc1 ZINC000006388011 557700907 /nfs/dbraw/zinc/70/09/07/557700907.db2.gz GIFJKBBLIJQFGA-XMHGGMMESA-N -1 1 417.892 5.916 40 10 HKCBMM Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc([O-])c(Br)c2)S1 ZINC000006767326 560746727 /nfs/dbraw/zinc/74/67/27/560746727.db2.gz RWLKYPLLPZEYOG-OVCLIPMQSA-N -1 1 423.719 5.199 40 10 HKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000009233791 557831017 /nfs/dbraw/zinc/83/10/17/557831017.db2.gz VPPQLHSLMLPODN-FYJGNVAPSA-N -1 1 421.543 5.306 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000009310474 557836177 /nfs/dbraw/zinc/83/61/77/557836177.db2.gz ROHIPGIFRVDPOP-CAOOACKPSA-N -1 1 419.358 5.485 40 10 HKCBMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000013345614 569410749 /nfs/dbraw/zinc/41/07/49/569410749.db2.gz GUAAZYLENWVOAF-QURGRASLSA-N -1 1 415.858 5.254 40 10 HKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc2ccccc21 ZINC000013566887 560813740 /nfs/dbraw/zinc/81/37/40/560813740.db2.gz ZSIZYNPBTIBLMU-BKUYFWCQSA-N -1 1 421.543 5.306 40 10 HKCBMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Oc1ccc(Cl)cc1Cl ZINC000016227620 558779799 /nfs/dbraw/zinc/77/97/99/558779799.db2.gz LLNQLRMARNZZRH-VIZOYTHASA-N -1 1 412.319 5.283 40 10 HKCBMM CC(=Nc1cccc(Cl)c1C)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000017082299 560862036 /nfs/dbraw/zinc/86/20/36/560862036.db2.gz USECVMREFCZHPF-XLNRJJMWSA-N -1 1 401.897 5.785 40 10 HKCBMM CC(=Nc1cccc2ccccc21)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000017082673 560862319 /nfs/dbraw/zinc/86/23/19/560862319.db2.gz SDQOTJITRLXKLH-PLRJNAJWSA-N -1 1 403.485 5.977 40 10 HKCBMM CC(=Nc1ccc(Cl)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017083274 560862368 /nfs/dbraw/zinc/86/23/68/560862368.db2.gz KKDIXHZAFGSBSL-QNGOZBTKSA-N -1 1 405.860 5.616 40 10 HKCBMM CC(=Nc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000017088549 560863455 /nfs/dbraw/zinc/86/34/55/560863455.db2.gz HBYPJXKTSJWSHJ-PGMHBOJBSA-N -1 1 410.502 5.433 40 10 HKCBMM CC(=Nc1cccc(Cl)c1C)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017092024 560866766 /nfs/dbraw/zinc/86/67/66/560866766.db2.gz VVRDSYZVMVTGSF-JWGURIENSA-N -1 1 419.887 5.925 40 10 HKCBMM CC(=Nc1cccc2ccccc21)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000017092677 560867243 /nfs/dbraw/zinc/86/72/43/560867243.db2.gz LZEWQMNDWAILEJ-BWAHOGKJSA-N -1 1 421.475 6.116 40 10 HKCBMM CC(=Nc1ccc(Cl)c(Cl)c1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000017092905 560867468 /nfs/dbraw/zinc/86/74/68/560867468.db2.gz RZZPIBDVKRYIGB-QNGOZBTKSA-N -1 1 422.315 6.130 40 10 HKCBMM CCOc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)[N-]C3=O)cc2c1 ZINC000022079705 558462998 /nfs/dbraw/zinc/46/29/98/558462998.db2.gz RCEHIUCVDQBGOH-LDADJPATSA-N -1 1 424.572 5.274 40 10 HKCBMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000032189095 526093816 /nfs/dbraw/zinc/09/38/16/526093816.db2.gz VVFYXVULBIVTPW-MTJSOVHGSA-N -1 1 422.481 5.136 40 10 HKCBMM CCCCc1c([O-])n(-c2ccccc2)n(-c2ccc(OCc3ccccc3)cc2)c1=O ZINC000033506176 558769076 /nfs/dbraw/zinc/76/90/76/558769076.db2.gz VQAREFIHUMMGEN-XMMPIXPASA-N -1 1 414.505 5.367 40 10 in-vitro HKCBMM CCCCc1c([O-])n(-c2ccccc2)n(-c2ccc(OCc3ccccc3)cc2)c1=O ZINC000033506177 558769169 /nfs/dbraw/zinc/76/91/69/558769169.db2.gz VQAREFIHUMMGEN-DEOSSOPVSA-N -1 1 414.505 5.367 40 10 in-vitro HKCBMM CC(=Nc1ccc(Cl)c(Cl)c1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917152 560734853 /nfs/dbraw/zinc/73/48/53/560734853.db2.gz JTDIYSJVAGIQQM-YVLHZVERSA-N -1 1 417.321 5.712 40 10 HKCBMM CC(=Nc1ccccc1-c1ccccc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917187 560734878 /nfs/dbraw/zinc/73/48/78/560734878.db2.gz KWYFVKBWXKHIDC-KQWNVCNZSA-N -1 1 424.529 6.072 40 10 HKCBMM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 ZINC000103918760 560734763 /nfs/dbraw/zinc/73/47/63/560734763.db2.gz IWFPELRRIJQFHS-UYRXBGFRSA-N -1 1 410.930 5.839 40 10 HKCBMM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccc(Br)c1 ZINC000103918866 560734735 /nfs/dbraw/zinc/73/47/35/560734735.db2.gz DHGNHWTUQQMCNP-UYRXBGFRSA-N -1 1 416.294 5.477 40 10 HKCBMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc2ccccc21 ZINC000103919077 560734905 /nfs/dbraw/zinc/73/49/05/560734905.db2.gz UGYHWUSEOMMRAA-KQWNVCNZSA-N -1 1 414.465 5.637 40 10 HKCBMM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1 ZINC000103919312 560734804 /nfs/dbraw/zinc/73/48/04/560734804.db2.gz KAVMMJGAODHOTO-RGEXLXHISA-N -1 1 403.404 5.474 40 10 HKCBMM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1 ZINC000103919317 560734795 /nfs/dbraw/zinc/73/47/95/560734795.db2.gz TXEPDKYLVADSCG-UYRXBGFRSA-N -1 1 421.394 5.613 40 10 HKCBMM COc1ccc(Oc2ccc(-n3c(C)cc(C=C4SC(=O)[N-]C4=O)c3C)cc2)cc1 ZINC000106692789 560745446 /nfs/dbraw/zinc/74/54/46/560745446.db2.gz QMFKWPVVEYCIFG-BKUYFWCQSA-N -1 1 420.490 5.219 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000107842135 569361145 /nfs/dbraw/zinc/36/11/45/569361145.db2.gz LAWSUPXISCHDTD-AUWJEWJLSA-N -1 1 414.310 5.200 40 10 HKCBMM CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Cl)c1[O-] ZINC000107976930 569361232 /nfs/dbraw/zinc/36/12/32/569361232.db2.gz LNKIOWGHANEEBS-DHDCSXOGSA-N -1 1 409.294 5.180 40 10 HKCBMM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(F)c1 ZINC000112125257 560776676 /nfs/dbraw/zinc/77/66/76/560776676.db2.gz FCQAQIMTFDYHBJ-MOSHPQCFSA-N -1 1 401.869 5.377 40 10 HKCBMM CC(=Nc1cc(Cl)cc(Cl)c1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112125910 560776709 /nfs/dbraw/zinc/77/67/09/560776709.db2.gz UWNIJVSYTOLHEL-YVLHZVERSA-N -1 1 405.241 5.010 40 10 HKCBMM CC(=Nc1ccc(Cl)c(Cl)c1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112125931 560776689 /nfs/dbraw/zinc/77/66/89/560776689.db2.gz RRPGJZGPJFAEMN-YVLHZVERSA-N -1 1 405.241 5.010 40 10 HKCBMM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(Cl)c1 ZINC000112126436 560776795 /nfs/dbraw/zinc/77/67/95/560776795.db2.gz IDBGKZUIHFIVRQ-UNOMPAQXSA-N -1 1 406.288 6.021 40 10 HKCBMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(F)c1 ZINC000112286305 560777906 /nfs/dbraw/zinc/77/79/06/560777906.db2.gz DRXYGDCRUXMQQK-UNOMPAQXSA-N -1 1 416.840 5.276 40 10 HKCBMM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1-c1ccccc1 ZINC000112287209 560777944 /nfs/dbraw/zinc/77/79/44/560777944.db2.gz MGDSAFOSOZYGDN-BWAHOGKJSA-N -1 1 413.496 6.382 40 10 HKCBMM CC(=Nc1ccccc1-c1ccccc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112287395 560777989 /nfs/dbraw/zinc/77/79/89/560777989.db2.gz ZPFGBPRVILDLOG-KQWNVCNZSA-N -1 1 412.449 5.370 40 10 HKCBMM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(Cl)c1 ZINC000112291383 560778293 /nfs/dbraw/zinc/77/82/93/560778293.db2.gz TWYBTPZAIZPSFU-MOSHPQCFSA-N -1 1 418.324 5.891 40 10 HKCBMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1C(C)C ZINC000225586985 568654718 /nfs/dbraw/zinc/65/47/18/568654718.db2.gz VXPMZVBJOQFJPJ-UHFFFAOYSA-N -1 1 423.534 5.159 40 10 HKCBMM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226862146 559274221 /nfs/dbraw/zinc/27/42/21/559274221.db2.gz NKBAXTDMWKMBRV-OCEACIFDSA-N -1 1 413.502 6.155 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408529500 558466340 /nfs/dbraw/zinc/46/63/40/558466340.db2.gz IHSDYBCFCVLJFS-ODLFYWEKSA-N -1 1 411.935 5.561 40 10 HKCBMM Cc1ccc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2Cl)cc1 ZINC000408531664 558471908 /nfs/dbraw/zinc/47/19/08/558471908.db2.gz PWCWZVRNWHYFRC-NVNXTCNLSA-N -1 1 410.347 5.370 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408532072 558474502 /nfs/dbraw/zinc/47/45/02/558474502.db2.gz SGMACPYQEJTKGJ-AUWJEWJLSA-N -1 1 414.310 5.200 40 10 HKCBMM O=C1[N-]C(=S)SC1=CC1=CC(=NNc2cccc(C(F)(F)F)c2)C=CC1=O ZINC000408724612 558586930 /nfs/dbraw/zinc/58/69/30/558586930.db2.gz GCXWODKFVCPPFE-QSTNYVNOSA-N -1 1 409.414 5.315 40 10 HKCBMM O=C1[N-]C(=S)SC1=CC1=CC(=NNc2ccc(Cl)cc2Cl)C=CC1=O ZINC000408727171 558589409 /nfs/dbraw/zinc/58/94/09/558589409.db2.gz VAMGLYDFOCNIPE-SXKXGMSHSA-N -1 1 410.307 5.603 40 10 HKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1cccc(Cl)c1C ZINC000408734457 558592987 /nfs/dbraw/zinc/59/29/87/558592987.db2.gz GNRGRZAXWGNNDB-UHFFFAOYSA-N -1 1 423.969 6.312 40 10 HKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408734693 557800874 /nfs/dbraw/zinc/80/08/74/557800874.db2.gz IOZREXVHGMPMBE-UHFFFAOYSA-N -1 1 423.969 6.312 40 10 HKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1cccc(Cl)c1 ZINC000408734785 558593813 /nfs/dbraw/zinc/59/38/13/558593813.db2.gz JVQJPUMVODDJLP-UHFFFAOYSA-N -1 1 409.942 6.004 40 10 HKCBMM CCOc1ccc(-n2c(C)cc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)c2C)cc1 ZINC000408734889 558593819 /nfs/dbraw/zinc/59/38/19/558593819.db2.gz LESDPCDBQKMTBM-UHFFFAOYSA-N -1 1 419.550 5.749 40 10 HKCBMM CCOC(=O)c1ccc(-n2c(C)cc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)c2C)cc1 ZINC000408735214 557801792 /nfs/dbraw/zinc/80/17/92/557801792.db2.gz ORHRFUBRTKKSJH-UHFFFAOYSA-N -1 1 421.522 5.265 40 10 HKCBMM COc1ccc(-n2c(C)cc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)c2C)cc1 ZINC000408735301 558594098 /nfs/dbraw/zinc/59/40/98/558594098.db2.gz QBNJTMIMCZDDHD-UHFFFAOYSA-N -1 1 405.523 5.359 40 10 HKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000408735627 557801898 /nfs/dbraw/zinc/80/18/98/557801898.db2.gz VEAYKCMWRMFVIT-UHFFFAOYSA-N -1 1 409.942 6.004 40 10 HKCBMM COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c([O-])c3)C2=O)cc1 ZINC000408738751 558598791 /nfs/dbraw/zinc/59/87/91/558598791.db2.gz NQMSDPMCSACWGO-QGOAFFKASA-N -1 1 403.865 5.526 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408810451 560643988 /nfs/dbraw/zinc/64/39/88/560643988.db2.gz KOZLMJJDDUSQJW-ODLFYWEKSA-N -1 1 411.935 5.561 40 10 HKCBMM Cc1cc(C=C2SC(=S)[N-]C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408846663 558679852 /nfs/dbraw/zinc/67/98/52/558679852.db2.gz RFSMATSWEJXWLZ-FRKPEAEDSA-N -1 1 424.374 5.678 40 10 HKCBMM Cc1cc(C=C2SC(=S)[N-]C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408850513 558684130 /nfs/dbraw/zinc/68/41/30/558684130.db2.gz BGSGPGQVKOYYNX-LZYBPNLTSA-N -1 1 424.374 5.678 40 10 HKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1C ZINC000408922862 558748419 /nfs/dbraw/zinc/74/84/19/558748419.db2.gz GYGWLRINOMUWKI-YVLHZVERSA-N -1 1 419.955 5.115 40 10 HKCBMM O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1[O-] ZINC000408986024 558837683 /nfs/dbraw/zinc/83/76/83/558837683.db2.gz OMUZGIIXJGAGDQ-SFQUDFHCSA-N -1 1 408.284 6.170 40 10 HKCBMM Cc1c(Cl)cccc1NCc1cc(Br)cc(Br)c1[O-] ZINC000409113336 558938486 /nfs/dbraw/zinc/93/84/86/558938486.db2.gz FNVDXNCMQORBKG-UHFFFAOYSA-N -1 1 405.517 5.491 40 10 HKCBMM Cc1ccc(NCc2cc(Br)cc(Br)c2[O-])cc1Cl ZINC000409114770 558939963 /nfs/dbraw/zinc/93/99/63/558939963.db2.gz LCAIIGGBFMANNH-UHFFFAOYSA-N -1 1 405.517 5.491 40 10 HKCBMM Cc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1[O-] ZINC000409114949 558940313 /nfs/dbraw/zinc/94/03/13/558940313.db2.gz FNUJNWHDXIEWDB-UHFFFAOYSA-N -1 1 405.517 5.491 40 10 HKCBMM O=C1/C(=C\c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409177222 558999100 /nfs/dbraw/zinc/99/91/00/558999100.db2.gz DYFQHTQMWJHJLD-MKMNVTDBSA-N -1 1 400.283 5.244 40 10 HKCBMM Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n1 ZINC000409187916 560688030 /nfs/dbraw/zinc/68/80/30/560688030.db2.gz DEHODKHWXRGXAS-APSNUPSMSA-N -1 1 423.325 5.045 40 10 HKCBMM Cc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n[nH]1 ZINC000409187916 560688032 /nfs/dbraw/zinc/68/80/32/560688032.db2.gz DEHODKHWXRGXAS-APSNUPSMSA-N -1 1 423.325 5.045 40 10 HKCBMM O=C1[N-]C(=S)S/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409208991 559019333 /nfs/dbraw/zinc/01/93/33/559019333.db2.gz BKDSQHPUIDRMBM-CIAFOILYSA-N -1 1 400.528 5.332 40 10 HKCBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409328622 560709946 /nfs/dbraw/zinc/70/99/46/560709946.db2.gz ZAZIGWNLWCQTFT-AUWJEWJLSA-N -1 1 415.845 5.470 40 10 HKCBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409330737 560710355 /nfs/dbraw/zinc/71/03/55/560710355.db2.gz LTHUMRUEZRWKMR-NSIKDUERSA-N -1 1 416.738 5.758 40 10 HKCBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409331184 560710358 /nfs/dbraw/zinc/71/03/58/560710358.db2.gz MKNFOUWZPFWGDO-NSIKDUERSA-N -1 1 416.738 5.758 40 10 HKCBMM COc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(Cl)c3)SC2=S)cc1Cl ZINC000409338230 560712463 /nfs/dbraw/zinc/71/24/63/560712463.db2.gz GDYLGHBOSUHNRP-VIZOYTHASA-N -1 1 412.319 5.113 40 10 HKCBMM