smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(C)o1 ZINC000120765828 823059997 /nfs/dbraw/zinc/05/99/97/823059997.db2.gz OCLFNUGHQSPKGR-UHFFFAOYSA-N 0 2 393.446 4.037 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cc(F)ccc2C)n1 ZINC000121627938 823218768 /nfs/dbraw/zinc/21/87/68/823218768.db2.gz CZWYTOYGVZKDLW-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Cl)s1 ZINC000057689837 823321735 /nfs/dbraw/zinc/32/17/35/823321735.db2.gz KPFUYMFRWXDBDS-UHFFFAOYSA-N 0 2 384.891 4.218 20 10 GICDLN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000028964889 820377908 /nfs/dbraw/zinc/37/79/08/820377908.db2.gz DUFYWMZJDBMERP-MGWVCDIQSA-N 0 2 378.475 4.080 20 10 GICDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000041573568 821212121 /nfs/dbraw/zinc/21/21/21/821212121.db2.gz GSHMKQXHNCPSHT-UHFFFAOYSA-N 0 2 386.285 4.313 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000057690402 823322005 /nfs/dbraw/zinc/32/20/05/823322005.db2.gz HQDVRRIXOONPLV-UHFFFAOYSA-N 0 2 385.392 4.025 20 10 GICDLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl ZINC000028976943 820379208 /nfs/dbraw/zinc/37/92/08/820379208.db2.gz KSVKHGBZTUUQPH-ZSOIEALJSA-N 0 2 392.845 4.360 20 10 GICDLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000178179283 822343821 /nfs/dbraw/zinc/34/38/21/822343821.db2.gz OZBNMPAOMZTAAQ-UHFFFAOYSA-N 0 2 399.419 4.333 20 10 GICDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cc(C)cc(F)c3)n2)s1 ZINC000178180547 822344283 /nfs/dbraw/zinc/34/42/83/822344283.db2.gz ODFCLABEEYDGDN-UHFFFAOYSA-N 0 2 383.495 4.132 20 10 GICDLN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000057949355 823349838 /nfs/dbraw/zinc/34/98/38/823349838.db2.gz DGAHNTJFLJKUOF-FQEVSTJZSA-N 0 2 391.383 4.080 20 10 GICDLN COc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000057719901 823324449 /nfs/dbraw/zinc/32/44/49/823324449.db2.gz ZOEQOBSSXTUTGC-UHFFFAOYSA-N 0 2 380.878 4.273 20 10 GICDLN COc1ccc(-c2nc(NS(=O)(=O)c3sc(C)nc3C)sc2C)cc1 ZINC000177081386 823366355 /nfs/dbraw/zinc/36/63/55/823366355.db2.gz ORSUBCYUBXOQDJ-UHFFFAOYSA-N 0 2 395.531 4.001 20 10 GICDLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000033315457 821055106 /nfs/dbraw/zinc/05/51/06/821055106.db2.gz XXIATVPAMIKIIK-ZSOIEALJSA-N 0 2 392.845 4.360 20 10 GICDLN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(C(F)(F)F)nc1 ZINC000181309043 821747763 /nfs/dbraw/zinc/74/77/63/821747763.db2.gz HEJKXHPHLGWPGQ-UHFFFAOYSA-N 0 2 391.421 4.086 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(CC(F)(F)F)cc1 ZINC000191747743 823755768 /nfs/dbraw/zinc/75/57/68/823755768.db2.gz QKBQHWLFNYEBST-UHFFFAOYSA-N 0 2 388.392 4.309 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C)c(F)c2)n1 ZINC000121628293 823218890 /nfs/dbraw/zinc/21/88/90/823218890.db2.gz NVSNFRBBGAUYJA-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000057690224 823321910 /nfs/dbraw/zinc/32/19/10/823321910.db2.gz CHWJEZVEJIBKKF-UHFFFAOYSA-N 0 2 386.285 4.313 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccccc1C(F)(F)F ZINC000057690244 823321864 /nfs/dbraw/zinc/32/18/64/823321864.db2.gz CWWBPJBHORBCGO-UHFFFAOYSA-N 0 2 385.392 4.025 20 10 GICDLN O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(Cl)c1 ZINC000058693383 823432728 /nfs/dbraw/zinc/43/27/28/823432728.db2.gz DYMOSEZFYGYKQK-UHFFFAOYSA-N 0 2 376.890 4.363 20 10 GICDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000040945903 821166405 /nfs/dbraw/zinc/16/64/05/821166405.db2.gz GQIJPYFBZDNGPN-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc(C)oc2C)n1 ZINC000183108346 822425619 /nfs/dbraw/zinc/42/56/19/822425619.db2.gz ANNADCZWOIENMO-UHFFFAOYSA-N 0 2 378.475 4.138 20 10 GICDLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000057721507 823324950 /nfs/dbraw/zinc/32/49/50/823324950.db2.gz UZEBRDXMWWQJMB-UHFFFAOYSA-N 0 2 394.424 4.092 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc(CC(F)(F)F)cc1 ZINC000191741222 823753960 /nfs/dbraw/zinc/75/39/60/823753960.db2.gz AUHVLMNFQKTUSH-UHFFFAOYSA-N 0 2 399.419 4.111 20 10 GICDLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000057719875 823324783 /nfs/dbraw/zinc/32/47/83/823324783.db2.gz AQWDZDZBOBBWFF-UHFFFAOYSA-N 0 2 392.889 4.467 20 10 GICDLN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000028977662 820379229 /nfs/dbraw/zinc/37/92/29/820379229.db2.gz FAGPEZMFJCCNEP-CXUHLZMHSA-N 0 2 386.454 4.323 20 10 GICDLN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000028977686 820379415 /nfs/dbraw/zinc/37/94/15/820379415.db2.gz INPYEPBWZYOODE-CXUHLZMHSA-N 0 2 386.454 4.323 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000103299493 208423094 /nfs/dbraw/zinc/42/30/94/208423094.db2.gz NZGCIISGCKHHOZ-UHFFFAOYSA-N 0 2 380.878 4.273 20 10 GICDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] ZINC000176578857 823240842 /nfs/dbraw/zinc/24/08/42/823240842.db2.gz WRCYIOUXVWRMCY-UHFFFAOYSA-N 0 2 399.837 4.074 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cccc(C(F)(F)F)c1 ZINC000057690232 823321940 /nfs/dbraw/zinc/32/19/40/823321940.db2.gz VBNYLNVDLJVZMN-UHFFFAOYSA-N 0 2 385.392 4.025 20 10 GICDLN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000189428582 823413824 /nfs/dbraw/zinc/41/38/24/823413824.db2.gz SFLNZGIOSSEEGV-UHFFFAOYSA-N 0 2 380.516 4.249 20 10 GICDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(CC(F)(F)F)cc1 ZINC000191741063 823753091 /nfs/dbraw/zinc/75/30/91/823753091.db2.gz RTIUAMJFJRGNDC-UHFFFAOYSA-N 0 2 399.419 4.111 20 10 GICDLN COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000057735357 823326547 /nfs/dbraw/zinc/32/65/47/823326547.db2.gz LTFNEGZQHUWHHM-UHFFFAOYSA-N 0 2 386.907 4.334 20 10 GICDLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000006328950 817677416 /nfs/dbraw/zinc/67/74/16/817677416.db2.gz URNAJDJGMAEHRG-UHFFFAOYSA-N 0 2 394.424 4.092 20 10 GICDLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000057692678 823322302 /nfs/dbraw/zinc/32/23/02/823322302.db2.gz DOCBFPVPVZKJOI-UHFFFAOYSA-N 0 2 390.461 4.261 20 10 GICDLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c1 ZINC000057720194 823324459 /nfs/dbraw/zinc/32/44/59/823324459.db2.gz HPTBYZZENDNJHZ-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000028964901 820377877 /nfs/dbraw/zinc/37/78/77/820377877.db2.gz DUFYWMZJDBMERP-KYMBZKNXSA-N 0 2 378.475 4.080 20 10 GICDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1Cl ZINC000007052410 817748095 /nfs/dbraw/zinc/74/80/95/817748095.db2.gz NYQCYCOOPTTXTN-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc(C)c3F)n2)s1 ZINC000181038076 821605765 /nfs/dbraw/zinc/60/57/65/821605765.db2.gz MOVAHXJZYJDCDM-UHFFFAOYSA-N 0 2 383.495 4.132 20 10 GICDLN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000006366746 817683445 /nfs/dbraw/zinc/68/34/45/817683445.db2.gz BXVOBOQYLJQDOB-GHRIWEEISA-N 0 2 387.483 4.375 20 10 GICDLN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000006366746 817683452 /nfs/dbraw/zinc/68/34/52/817683452.db2.gz BXVOBOQYLJQDOB-GHRIWEEISA-N 0 2 387.483 4.375 20 10 GICDLN Cc1sc(NS(=O)(=O)c2ccc(Cl)nc2)nc1-c1ccc(F)cc1 ZINC000057692696 823322274 /nfs/dbraw/zinc/32/22/74/823322274.db2.gz MOHYHTFVDKTSDC-UHFFFAOYSA-N 0 2 383.857 4.107 20 10 GICDLN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000028977665 820379440 /nfs/dbraw/zinc/37/94/40/820379440.db2.gz QZRUOCIFAZIGIS-CXUHLZMHSA-N 0 2 386.454 4.323 20 10 GICDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000040945708 821166449 /nfs/dbraw/zinc/16/64/49/821166449.db2.gz CUGCKVHNAZOPEZ-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN Cc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000040945841 821166738 /nfs/dbraw/zinc/16/67/38/821166738.db2.gz ARGUGXZEYSYPMD-UHFFFAOYSA-N 0 2 389.458 4.136 20 10 GICDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1C ZINC000007323182 817818111 /nfs/dbraw/zinc/81/81/11/817818111.db2.gz HMHLJXPXMBOOIR-UHFFFAOYSA-N 0 2 389.458 4.136 20 10 GICDLN CCc1cccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000028977878 820379255 /nfs/dbraw/zinc/37/92/55/820379255.db2.gz UBGLELJWPHSUCG-MHWRWJLKSA-N 0 2 386.454 4.269 20 10 GICDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3c(C)cccc3F)n2)s1 ZINC000186398713 822888093 /nfs/dbraw/zinc/88/80/93/822888093.db2.gz CWHGGZHJWMLJBP-UHFFFAOYSA-N 0 2 383.495 4.132 20 10 GICDLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000057692675 823322262 /nfs/dbraw/zinc/32/22/62/823322262.db2.gz BJDGONCWWSDSEG-UHFFFAOYSA-N 0 2 390.461 4.261 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2c(C)cccc2F)n1 ZINC000186392906 822887094 /nfs/dbraw/zinc/88/70/94/822887094.db2.gz ONZQSDQSIMZKCA-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Cl ZINC000057689846 823321728 /nfs/dbraw/zinc/32/17/28/823321728.db2.gz OIIVVYGPUUHUCN-UHFFFAOYSA-N 0 2 378.862 4.157 20 10 GICDLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000057719880 823324583 /nfs/dbraw/zinc/32/45/83/823324583.db2.gz TYRLZCOOMSNDLU-UHFFFAOYSA-N 0 2 392.889 4.467 20 10 GICDLN Cc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)o1 ZINC000183111220 822425888 /nfs/dbraw/zinc/42/58/88/822425888.db2.gz KDNKRNDLLWTRKS-UHFFFAOYSA-N 0 2 393.446 4.037 20 10 GICDLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000126147309 823800037 /nfs/dbraw/zinc/80/00/37/823800037.db2.gz QNOJCBGPVWEYEP-UHFFFAOYSA-N 0 2 382.850 4.060 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cnc(Cl)c(Cl)c1 ZINC000006858706 817720631 /nfs/dbraw/zinc/72/06/31/817720631.db2.gz ONBUWBJIXHBZFQ-UHFFFAOYSA-N 0 2 386.285 4.313 20 10 GICDLN Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180715024 821413652 /nfs/dbraw/zinc/41/36/52/821413652.db2.gz GXVCDTKTPJIJRN-AEFFLSMTSA-N 0 2 382.287 4.024 20 10 GICDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180715024 821413658 /nfs/dbraw/zinc/41/36/58/821413658.db2.gz GXVCDTKTPJIJRN-AEFFLSMTSA-N 0 2 382.287 4.024 20 10 GICDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180715024 821413662 /nfs/dbraw/zinc/41/36/62/821413662.db2.gz GXVCDTKTPJIJRN-AEFFLSMTSA-N 0 2 382.287 4.024 20 10 GICDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000185608622 822801722 /nfs/dbraw/zinc/80/17/22/822801722.db2.gz FXXFQKQHQQPBPW-UHFFFAOYSA-N 0 2 399.497 4.108 20 10 GICDLN O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1 ZINC000003078250 817416737 /nfs/dbraw/zinc/41/67/37/817416737.db2.gz GVVADJJIRXCSDK-UHFFFAOYSA-N 0 2 397.077 4.262 20 10 GICDLN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1C ZINC000003768670 817494933 /nfs/dbraw/zinc/49/49/33/817494933.db2.gz QABOCEVUKDSNRT-SXGWCWSVSA-N 0 2 386.454 4.323 20 10 GICDLN Cc1sc(NS(=O)(=O)c2cccc3cccnc32)nc1-c1ccccc1 ZINC000005924715 817630714 /nfs/dbraw/zinc/63/07/14/817630714.db2.gz FBRMQOXRTDGZOQ-UHFFFAOYSA-N 0 2 381.482 4.468 20 10 GICDLN COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000057692692 823322178 /nfs/dbraw/zinc/32/21/78/823322178.db2.gz UBLQIZBACWVWSB-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN Cc1cccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1C ZINC000028977657 820379338 /nfs/dbraw/zinc/37/93/38/820379338.db2.gz CWNZLQODLXWVMK-CXUHLZMHSA-N 0 2 386.454 4.323 20 10 GICDLN Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180715039 821413629 /nfs/dbraw/zinc/41/36/29/821413629.db2.gz GXVCDTKTPJIJRN-FUHWJXTLSA-N 0 2 382.287 4.024 20 10 GICDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180715039 821413633 /nfs/dbraw/zinc/41/36/33/821413633.db2.gz GXVCDTKTPJIJRN-FUHWJXTLSA-N 0 2 382.287 4.024 20 10 GICDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180715039 821413641 /nfs/dbraw/zinc/41/36/41/821413641.db2.gz GXVCDTKTPJIJRN-FUHWJXTLSA-N 0 2 382.287 4.024 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cc(C)cc(F)c2)n1 ZINC000178180306 822344582 /nfs/dbraw/zinc/34/45/82/822344582.db2.gz WOIJYSYYJJJAKC-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cc(C)ccc2F)n1 ZINC000121628100 823218748 /nfs/dbraw/zinc/21/87/48/823218748.db2.gz RBHTXRRXLDMSHP-UHFFFAOYSA-N 0 2 378.450 4.067 20 10 GICDLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000013776374 818215584 /nfs/dbraw/zinc/21/55/84/818215584.db2.gz QMTUGYVKSXGQAX-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1Cl ZINC000057690293 823321995 /nfs/dbraw/zinc/32/19/95/823321995.db2.gz MGZWIJBZGSVMJZ-UHFFFAOYSA-N 0 2 386.285 4.313 20 10 GICDLN COc1ccccc1-c1csc(NS(=O)(=O)c2ccccc2SC)n1 ZINC000186968652 822989408 /nfs/dbraw/zinc/98/94/08/822989408.db2.gz OJTLLVQIRBLABX-UHFFFAOYSA-N 0 2 392.527 4.341 20 10 GICDLN CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005924349 817630838 /nfs/dbraw/zinc/63/08/38/817630838.db2.gz SHRRJYXAZHLADX-UHFFFAOYSA-N 0 2 389.458 4.082 20 10 GICDLN COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2sc(C)nc2C)n1 ZINC000177083362 823367039 /nfs/dbraw/zinc/36/70/39/823367039.db2.gz BPYQDDBPUARVAC-UHFFFAOYSA-N 0 2 395.531 4.001 20 10 GICDLN Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000028977671 820379190 /nfs/dbraw/zinc/37/91/90/820379190.db2.gz RYCAQEAGTPTOMT-OQLLNIDSSA-N 0 2 386.454 4.323 20 10 GICDLN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1F ZINC000028977874 820379458 /nfs/dbraw/zinc/37/94/58/820379458.db2.gz YSJHLPHFBGQKKC-VIZOYTHASA-N 0 2 390.417 4.154 20 10 GICDLN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc([N+](=O)[O-])c1O ZINC000035582347 821065686 /nfs/dbraw/zinc/06/56/86/821065686.db2.gz IIQSCKAGAXTRKF-SXGWCWSVSA-N 0 2 399.428 4.008 20 10 GICDLN Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1C ZINC000040945655 821166665 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COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000185609577 822801854 /nfs/dbraw/zinc/80/18/54/822801854.db2.gz SKWKZMQZWANNQI-UHFFFAOYSA-N 0 2 399.497 4.108 20 10 GICDLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000057690766 823321825 /nfs/dbraw/zinc/32/18/25/823321825.db2.gz XZJNLRPIXVAQOI-UHFFFAOYSA-N 0 2 394.424 4.092 20 10 GICDLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)c1 ZINC000057720141 823324691 /nfs/dbraw/zinc/32/46/91/823324691.db2.gz FEMBGZNHUGMQSA-UHFFFAOYSA-N 0 2 395.849 4.173 20 10 GICDLN O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc2nsnc21 ZINC000026548258 820112573 /nfs/dbraw/zinc/11/25/73/820112573.db2.gz YUIAAHOSRZSMQG-UHFFFAOYSA-N 0 2 398.469 4.025 20 10 GICDLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000057690773 823321898 /nfs/dbraw/zinc/32/18/98/823321898.db2.gz UAGLPUYXTNKPPE-UHFFFAOYSA-N 0 2 394.424 4.092 20 10 GICDLN CCc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000028977708 820379289 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