smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000097990665 219065636 /nfs/dbraw/zinc/06/56/36/219065636.db2.gz WYNSPLJVXOEJMR-MDWZMJQESA-N -1 0 342.401 3.186 40 10 EGCBRM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 ZINC000001465864 304245725 /nfs/dbraw/zinc/24/57/25/304245725.db2.gz OBQPPMYJVOKFAX-UKTHLTGXSA-N -1 0 342.401 3.186 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)cc1 ZINC000059135780 257851149 /nfs/dbraw/zinc/85/11/49/257851149.db2.gz BNEMSJYYDORMPD-FMIVXFBMSA-N -1 0 342.351 3.203 40 10 EGCBRM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000005835140 452905931 /nfs/dbraw/zinc/90/59/31/452905931.db2.gz FVLKKHRUPRHFJS-VNKGSWCUSA-N -1 0 339.413 3.136 40 10 EGCBRM COc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1O ZINC000252482768 455807944 /nfs/dbraw/zinc/80/79/44/455807944.db2.gz DNITUDFXBMEJOH-UHFFFAOYSA-N -1 0 349.742 3.133 40 10 EGCBRM COc1ccc(N=NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000644163625 461905031 /nfs/dbraw/zinc/90/50/31/461905031.db2.gz QEEFJGYSUOAAFS-OAHLLOKOSA-N -1 0 327.340 3.184 40 10 EGCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2cccn2C)S1 ZINC000020226991 202037011 /nfs/dbraw/zinc/03/70/11/202037011.db2.gz XAYAZQROXNWXJJ-NTEUORMPSA-N -1 0 341.392 3.114 40 10 EGCBRM Nc1cccc(-c2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000020336480 212120708 /nfs/dbraw/zinc/12/07/08/212120708.db2.gz DNQYYEDOTAYWNU-UHFFFAOYSA-N -1 0 331.422 3.193 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 ZINC000000179593 452528444 /nfs/dbraw/zinc/52/84/44/452528444.db2.gz NYQCRFFOZATJJX-UVTDQMKNSA-N -1 0 326.739 3.006 40 10 EGCBRM CN(C)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc4ccccc4n32)cc1 ZINC000102243794 454497426 /nfs/dbraw/zinc/49/74/26/454497426.db2.gz NXFLAZUAZVLECC-KRWDZBQOSA-N -1 0 334.379 3.086 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408876281 457589082 /nfs/dbraw/zinc/58/90/82/457589082.db2.gz NORIDMZMSSHRQH-XFXZXTDPSA-N -1 0 344.729 3.146 40 10 EGCBRM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S ZINC000004478811 298215743 /nfs/dbraw/zinc/21/57/43/298215743.db2.gz OTMCYCWFUBECRC-XREMMQICSA-N -1 0 345.804 3.153 40 10 EGCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374604 452864498 /nfs/dbraw/zinc/86/44/98/452864498.db2.gz YDTZKSDZBWOXTE-SUIFULHWSA-N -1 0 344.417 3.042 40 10 EGCBRM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000006523473 452949721 /nfs/dbraw/zinc/94/97/21/452949721.db2.gz KHXBNYFXWAHCLK-UKTHLTGXSA-N -1 0 340.404 3.340 40 10 EGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O ZINC000016162427 453596920 /nfs/dbraw/zinc/59/69/20/453596920.db2.gz QDMWSJDQJAZDAH-GXDHUFHOSA-N -1 0 340.404 3.285 40 10 EGCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)c1 ZINC000408898021 457589686 /nfs/dbraw/zinc/58/96/86/457589686.db2.gz KNZPSWZFSXOUSC-XNTDXEJSSA-N -1 0 338.338 3.109 40 10 EGCBRM Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000001602789 452669511 /nfs/dbraw/zinc/66/95/11/452669511.db2.gz PRTJJFWCXPFMPU-UHFFFAOYSA-N -1 0 331.422 3.193 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000003189367 452747669 /nfs/dbraw/zinc/74/76/69/452747669.db2.gz WEFXFAYDBLLFJW-GXDHUFHOSA-N -1 0 337.291 3.102 40 10 EGCBRM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccco1 ZINC000016161002 453597297 /nfs/dbraw/zinc/59/72/97/453597297.db2.gz MTLSFNWXJWBOOF-WQLSENKSSA-N -1 0 330.727 3.437 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1 ZINC000059135687 454254019 /nfs/dbraw/zinc/25/40/19/454254019.db2.gz USXJJLFZHBZAHB-ZRDIBKRKSA-N -1 0 326.352 3.497 40 10 EGCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc(O)cc2)S1 ZINC000109597687 1293090621 /nfs/dbraw/zinc/09/06/21/1293090621.db2.gz NNBPSFHADSQEAR-NTEUORMPSA-N -1 0 340.360 3.173 40 10 EGCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004478799 304173936 /nfs/dbraw/zinc/17/39/36/304173936.db2.gz RJZWGPFJTILSFD-SRXBQZRASA-N -1 0 345.401 3.307 40 10 EGCBRM Cc1ccsc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000007166593 453039139 /nfs/dbraw/zinc/03/91/39/453039139.db2.gz HUTYTVJFMKAPCA-YFHOEESVSA-N -1 0 327.452 3.123 40 10 EGCBRM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000013576057 453472295 /nfs/dbraw/zinc/47/22/95/453472295.db2.gz ORYTUYUCLOMYRU-XFFZJAGNSA-N -1 0 349.173 3.160 40 10 EGCBRM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1 ZINC000059105559 454253239 /nfs/dbraw/zinc/25/32/39/454253239.db2.gz UIFKRBZWNMXGKO-UHFFFAOYSA-N -1 0 334.690 3.329 40 10 EGCBRM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/NC(=O)[N-]C3=O)cc21 ZINC000223482214 456057630 /nfs/dbraw/zinc/05/76/30/456057630.db2.gz UYPHTYDDVYLDKP-OQLLNIDSSA-N -1 0 325.412 3.277 40 10 EGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000007262866 1291067147 /nfs/dbraw/zinc/06/71/47/1291067147.db2.gz RGWSJDWDLVIHQF-QBQSQJOESA-N -1 0 325.411 3.043 40 10 EGCBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000015013891 280279302 /nfs/dbraw/zinc/27/93/02/280279302.db2.gz XVMLYJSNFUNHIV-UVTDQMKNSA-N -1 0 332.787 3.135 40 10 EGCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c1 ZINC000019792092 212067467 /nfs/dbraw/zinc/06/74/67/212067467.db2.gz VRPQUHSRDPZSRE-WQLSENKSSA-N -1 0 331.374 3.384 40 10 EGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000004745737 210269129 /nfs/dbraw/zinc/26/91/29/210269129.db2.gz RGWSJDWDLVIHQF-VUBLIPMDSA-N -1 0 325.411 3.043 40 10 EGCBRM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408742823 457587609 /nfs/dbraw/zinc/58/76/09/457587609.db2.gz YHOUQZHBNLGUHU-SFQUDFHCSA-N -1 0 334.375 3.476 40 10 EGCBRM CC(=C\c1ccco1)/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000408902571 457589994 /nfs/dbraw/zinc/58/99/94/457589994.db2.gz KFXYVXOVANBRAR-VMPIADEKSA-N -1 0 340.310 3.031 40 10 EGCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)c1 ZINC000409020346 457592754 /nfs/dbraw/zinc/59/27/54/457592754.db2.gz OGLZFUJXDOQFFJ-NTEUORMPSA-N -1 0 342.445 3.196 40 10 EGCBRM Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000000441042 294375248 /nfs/dbraw/zinc/37/52/48/294375248.db2.gz CRIVBUAUNIRSSO-UKTHLTGXSA-N -1 0 345.811 3.350 40 10 EGCBRM Cn1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000005374021 452865462 /nfs/dbraw/zinc/86/54/62/452865462.db2.gz VQPSRFMAWKTHBS-NTUHNPAUSA-N -1 0 344.417 3.129 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1O ZINC000059106204 454253612 /nfs/dbraw/zinc/25/36/12/454253612.db2.gz XSDWXOQPDSUIAY-UKTHLTGXSA-N -1 0 326.283 3.038 40 10 EGCBRM O=C([O-])CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000005816392 210542426 /nfs/dbraw/zinc/54/24/26/210542426.db2.gz OPNDXLNWPYYXSV-YFHOEESVSA-N -1 0 327.814 3.016 40 10 EGCBRM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408897987 257886484 /nfs/dbraw/zinc/88/64/84/257886484.db2.gz KDNGROAZNWMPCD-SFQUDFHCSA-N -1 0 334.375 3.224 40 10 EGCBRM O=C1c2ccccc2C(=O)c2c(O)c(Cc3ccccc3)cc(O)c21 ZINC000005327881 452858098 /nfs/dbraw/zinc/85/80/98/452858098.db2.gz OFUVJHVCKUIANE-UHFFFAOYSA-N -1 0 330.339 3.464 40 10 EGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005374050 452864531 /nfs/dbraw/zinc/86/45/31/452864531.db2.gz VSEKXUGNKDYGLQ-HYVKJMSASA-N -1 0 341.479 3.449 40 10 EGCBRM Cc1cc(=O)oc2c1ccc([O-])c2C1=NN(C=O)[C@@H](c2ccccc2)C1 ZINC000017194140 453631002 /nfs/dbraw/zinc/63/10/02/453631002.db2.gz QLTDYGIOVYGJHR-MRXNPFEDSA-N -1 0 348.358 3.115 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc(O)c1 ZINC000059135727 454254506 /nfs/dbraw/zinc/25/45/06/454254506.db2.gz NZTIWVPLZZHXHL-FMIVXFBMSA-N -1 0 342.351 3.203 40 10 EGCBRM CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000096663456 454375990 /nfs/dbraw/zinc/37/59/90/454375990.db2.gz CBRJJVMVLFDJFO-XYOKQWHBSA-N -1 0 335.450 3.270 40 10 EGCBRM CCN1c2cc(C)c(/C=C3/NC(=O)[N-]C3=O)cc2[C@H](C)CC1(C)C ZINC000208319016 456019282 /nfs/dbraw/zinc/01/92/82/456019282.db2.gz LVHJGCHQNKLBBC-KMHUVPDISA-N -1 0 327.428 3.287 40 10 EGCBRM CCc1nc(SC(=Cc2ccc(N(CC)CC)cc2)C(=O)[O-])n[nH]1 ZINC000213396784 456023720 /nfs/dbraw/zinc/02/37/20/456023720.db2.gz WPBUHHJWXBMHAP-KAMYIIQDSA-N -1 0 346.456 3.431 40 10 EGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)o1 ZINC000409127235 457595159 /nfs/dbraw/zinc/59/51/59/457595159.db2.gz CCJCWCVNUJYNPV-NTEUORMPSA-N -1 0 340.404 3.036 40 10 EGCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005374042 452865885 /nfs/dbraw/zinc/86/58/85/452865885.db2.gz VSEKXUGNKDYGLQ-PVVKEOSYSA-N -1 0 341.479 3.449 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1 ZINC000059106208 454253547 /nfs/dbraw/zinc/25/35/47/454253547.db2.gz JBHDXPMMEHDYBO-NTEUORMPSA-N -1 0 328.274 3.472 40 10 EGCBRM CCN1c2cc(C)c(/C=C3/NC(=O)[N-]C3=O)cc2C(C)=CC1(C)C ZINC000208522236 456019071 /nfs/dbraw/zinc/01/90/71/456019071.db2.gz HQHOEFRIWCWXOW-OQLLNIDSSA-N -1 0 325.412 3.197 40 10 EGCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408908396 457590070 /nfs/dbraw/zinc/59/00/70/457590070.db2.gz CFFLCRQCSGUUIP-RIYZIHGNSA-N -1 0 344.729 3.146 40 10 EGCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)cc1 ZINC000409235265 457597381 /nfs/dbraw/zinc/59/73/81/457597381.db2.gz ZHCUOBGLANZRPD-OQLLNIDSSA-N -1 0 340.404 3.234 40 10 EGCBRM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000001870914 209801492 /nfs/dbraw/zinc/80/14/92/209801492.db2.gz NUQFKDQDRDRLHV-DHZHZOJOSA-N -1 0 341.841 3.406 40 10 EGCBRM CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000007166737 453038963 /nfs/dbraw/zinc/03/89/63/453038963.db2.gz CBRJJVMVLFDJFO-WQLSENKSSA-N -1 0 335.450 3.270 40 10 EGCBRM CC(C)(C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000034713522 453920293 /nfs/dbraw/zinc/92/02/93/453920293.db2.gz SNKHDZFNGJKBGQ-LGMDPLHJSA-N -1 0 336.391 3.325 40 10 EGCBRM CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])SC1=S ZINC000113830984 454936136 /nfs/dbraw/zinc/93/61/36/454936136.db2.gz GUJSQEWFAKEYAD-RUDMXATFSA-N -1 0 344.801 3.175 40 10 EGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)s3)C2=O)c1 ZINC000408968089 457590105 /nfs/dbraw/zinc/59/01/05/457590105.db2.gz WIQZSSBSCSRFKQ-XYOKQWHBSA-N -1 0 346.795 3.376 40 10 EGCBRM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913793 457590354 /nfs/dbraw/zinc/59/03/54/457590354.db2.gz NWDGGIBQPFHABD-MHWRWJLKSA-N -1 0 338.338 3.055 40 10 EGCBRM CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000409398407 457598618 /nfs/dbraw/zinc/59/86/18/457598618.db2.gz AKFDCAXULPCLSI-PTNGSMBKSA-N -1 0 342.782 3.200 40 10 EGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)s1 ZINC000408844722 257887426 /nfs/dbraw/zinc/88/74/26/257887426.db2.gz FDQMHRNREFRUCL-OQLLNIDSSA-N -1 0 340.404 3.340 40 10 EGCBRM COc1ccc(N2C(=O)C(=Cc3ccsc3)C(=O)[N-]C2=S)cc1 ZINC000000441049 286323456 /nfs/dbraw/zinc/32/34/56/286323456.db2.gz YAKJBBQYDFRABX-MDWZMJQESA-N -1 0 344.417 3.428 40 10 EGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(C)c2)SC1=S ZINC000005373454 452865821 /nfs/dbraw/zinc/86/58/21/452865821.db2.gz NREKYQNWLAYJKD-VWLVURMCSA-N -1 0 335.450 3.450 40 10 EGCBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1C ZINC000408527497 457581021 /nfs/dbraw/zinc/58/10/21/457581021.db2.gz FWWSYNPVHYTGCX-LFIBNONCSA-N -1 0 349.390 3.191 40 10 EGCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 ZINC000005660030 452892192 /nfs/dbraw/zinc/89/21/92/452892192.db2.gz IPYQKUSAYRQBNG-MDWZMJQESA-N -1 0 342.401 3.186 40 10 EGCBRM CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000408810395 457588398 /nfs/dbraw/zinc/58/83/98/457588398.db2.gz JORLXIJFWRZULT-MDWZMJQESA-N -1 0 329.333 3.311 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408965438 457589468 /nfs/dbraw/zinc/58/94/68/457589468.db2.gz HNMGPEXWPGEWSZ-DHZHZOJOSA-N -1 0 348.836 3.233 40 10 EGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409245789 457597199 /nfs/dbraw/zinc/59/71/99/457597199.db2.gz ZDGJQNCXWOYWMW-XYOKQWHBSA-N -1 0 344.754 3.216 40 10 EGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1 ZINC000408990387 257883707 /nfs/dbraw/zinc/88/37/07/257883707.db2.gz XJKSCJCQEJEHKB-ATVHPVEESA-N -1 0 334.375 3.224 40 10 EGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2C)SC1=S ZINC000005373412 452865648 /nfs/dbraw/zinc/86/56/48/452865648.db2.gz MZEINPMWVLULSZ-VWLVURMCSA-N -1 0 335.450 3.450 40 10 EGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1Cl ZINC000408984573 457591341 /nfs/dbraw/zinc/59/13/41/457591341.db2.gz JCONWHXNAFUPKP-ZROIWOOFSA-N -1 0 340.766 3.315 40 10 EGCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccco2)C(=O)[N-]C1=S ZINC000409102604 457593959 /nfs/dbraw/zinc/59/39/59/457593959.db2.gz DNMOXAWACGFDDK-DHZHZOJOSA-N -1 0 346.795 3.073 40 10 EGCBRM CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000409405128 457598877 /nfs/dbraw/zinc/59/88/77/457598877.db2.gz GMDZAMASHVFASI-UVTDQMKNSA-N -1 0 342.782 3.200 40 10 EGCBRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000008326894 1291102051 /nfs/dbraw/zinc/10/20/51/1291102051.db2.gz VSEKXUGNKDYGLQ-IGISWIECSA-N -1 0 341.479 3.449 40 10 EGCBRM O=C([O-])CCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S ZINC000003570672 210057596 /nfs/dbraw/zinc/05/75/96/210057596.db2.gz WBWMFHLPCJCVFY-UXBLZVDNSA-N -1 0 345.804 3.155 40 10 EGCBRM O=c1cc2c(=O)c3ccccc3c3c4ccc([O-])c(O)c4oc(c1O)c23 ZINC000095869944 304817791 /nfs/dbraw/zinc/81/77/91/304817791.db2.gz FAVCQGOMARIMEY-UHFFFAOYSA-N -1 0 346.294 3.167 40 10 EGCBRM CN(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000203446 452534517 /nfs/dbraw/zinc/53/45/17/452534517.db2.gz SAXJVFTTWMMNML-INIZCTEOSA-N -1 0 346.814 3.352 40 10 EGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000008371575 453196784 /nfs/dbraw/zinc/19/67/84/453196784.db2.gz VRDXJLTTYAVUHT-OQLLNIDSSA-N -1 0 340.766 3.315 40 10 EGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2)C1=O ZINC000408872763 457589034 /nfs/dbraw/zinc/58/90/34/457589034.db2.gz IINOXDHEAGVEOE-JLHYYAGUSA-N -1 0 340.766 3.315 40 10 EGCBRM CCc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1 ZINC000005373502 288527268 /nfs/dbraw/zinc/52/72/68/288527268.db2.gz ANISMWCLRZYGLV-VWLVURMCSA-N -1 0 335.450 3.313 40 10 EGCBRM Cc1ccccc1N1C(=O)C(=Cc2cccn2C)C(=O)[N-]C1=S ZINC000001298893 452650914 /nfs/dbraw/zinc/65/09/14/452650914.db2.gz YJEUTESYFJHDIU-JLHYYAGUSA-N -1 0 325.393 3.005 40 10 EGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000019891128 1291193661 /nfs/dbraw/zinc/19/36/61/1291193661.db2.gz IZDRRPFNECLQEI-RVVCGMRGSA-N -1 0 339.438 3.289 40 10 EGCBRM CC(C)(C)N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CCC3)C1=O ZINC000102551630 1292978450 /nfs/dbraw/zinc/97/84/50/1292978450.db2.gz OFSXNKZHCUGWAS-GXDHUFHOSA-N -1 0 327.384 3.188 40 10 EGCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000005373829 286789039 /nfs/dbraw/zinc/78/90/39/286789039.db2.gz IZDRRPFNECLQEI-KBKYEYNWSA-N -1 0 339.438 3.289 40 10 EGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000005373839 452864928 /nfs/dbraw/zinc/86/49/28/452864928.db2.gz IZDRRPFNECLQEI-PGNPSOMDSA-N -1 0 339.438 3.289 40 10 EGCBRM CC(C)N1c2ccc(/C=C3/NC(=O)[N-]C3=O)cc2[C@@H](C)CC1(C)C ZINC000223550530 456058813 /nfs/dbraw/zinc/05/88/13/456058813.db2.gz FVKYZDUBQYYQMU-DGGAMASNSA-N -1 0 327.428 3.368 40 10 EGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)cc1Cl ZINC000409231613 457595897 /nfs/dbraw/zinc/59/58/97/457595897.db2.gz DDFNTHVLOFOEHX-WUXMJOGZSA-N -1 0 346.795 3.073 40 10 EGCBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000007262945 1291067016 /nfs/dbraw/zinc/06/70/16/1291067016.db2.gz RGWSJDWDLVIHQF-PAKSIRSJSA-N -1 0 325.411 3.043 40 10 EGCBRM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1cccc(F)c1 ZINC000226095666 242088719 /nfs/dbraw/zinc/08/87/19/242088719.db2.gz AGQPHWROXYWWEA-KPKJPENVSA-N -1 0 334.709 3.080 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000001225738 452648501 /nfs/dbraw/zinc/64/85/01/452648501.db2.gz CTTXWYHQYXTDOY-GXDHUFHOSA-N -1 0 337.291 3.102 40 10 EGCBRM CN(C)c1ccc([C@H]2CC(C(=O)[O-])=Nc3nc4ccccc4n32)cc1 ZINC000102243798 454497367 /nfs/dbraw/zinc/49/73/67/454497367.db2.gz NXFLAZUAZVLECC-QGZVFWFLSA-N -1 0 334.379 3.086 40 10 EGCBRM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408822273 457588862 /nfs/dbraw/zinc/58/88/62/457588862.db2.gz LKCZWIFDCCDIET-BOPFTXTBSA-N -1 0 331.375 3.428 40 10 EGCBRM CC1(C)Cc2c(cc(CC(=O)[O-])n2-c2ccc([N+](=O)[O-])cc2)C(=O)C1 ZINC000072221220 257686622 /nfs/dbraw/zinc/68/66/22/257686622.db2.gz FYBLRLVNNMAVGS-UHFFFAOYSA-N -1 0 342.351 3.168 40 10 EGCBRM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000000209189 452537976 /nfs/dbraw/zinc/53/79/76/452537976.db2.gz LZBPRDUNDSUHTR-RIYZIHGNSA-N -1 0 326.312 3.023 40 10 EGCBRM Cc1cccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000005373459 452865291 /nfs/dbraw/zinc/86/52/91/452865291.db2.gz YANYQNRCYWCESP-FSBNRTBOSA-N -1 0 335.450 3.305 40 10 EGCBRM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000007166083 453039514 /nfs/dbraw/zinc/03/95/14/453039514.db2.gz WYNSPLJVXOEJMR-JYRVWZFOSA-N -1 0 342.401 3.186 40 10 EGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000038162706 453939802 /nfs/dbraw/zinc/93/98/02/453939802.db2.gz VFESEMDEAOKQDR-PTNGSMBKSA-N -1 0 336.347 3.461 40 10 EGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O ZINC000409220719 457596108 /nfs/dbraw/zinc/59/61/08/457596108.db2.gz DVYNCFCJJGNZTA-DHZHZOJOSA-N -1 0 346.795 3.376 40 10 EGCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2cccnc2)S1 ZINC000035648165 1291394020 /nfs/dbraw/zinc/39/40/20/1291394020.db2.gz GSWAJJUQHQHUNE-VGOFMYFVSA-N -1 0 339.376 3.171 40 10 EGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)ccc3C)C2=O)c1 ZINC000101112772 219116184 /nfs/dbraw/zinc/11/61/84/219116184.db2.gz OXVUGIMZSFYUGL-WJDWOHSUSA-N -1 0 349.390 3.191 40 10 EGCBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005893696 452907753 /nfs/dbraw/zinc/90/77/53/452907753.db2.gz TWRCCMVAWAFZFA-OYGDSYQHSA-N -1 0 339.413 3.280 40 10 EGCBRM Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000408755779 457587885 /nfs/dbraw/zinc/58/78/85/457587885.db2.gz FLJDNZNKLVWVKI-OQLLNIDSSA-N -1 0 343.818 3.409 40 10 EGCBRM CC(=C\c1ccco1)/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408893417 457589631 /nfs/dbraw/zinc/58/96/31/457589631.db2.gz AGIPQDQOPSCINR-WFVPKAAFSA-N -1 0 336.347 3.201 40 10 EGCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000006635778 1291049278 /nfs/dbraw/zinc/04/92/78/1291049278.db2.gz OBXUPGFMBXWKFX-DFYQSJSGSA-N -1 0 325.411 3.124 40 10 EGCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc[nH]2)S1 ZINC000006613974 1291049869 /nfs/dbraw/zinc/04/98/69/1291049869.db2.gz ZMCYBNIYTSBNIS-JYRVWZFOSA-N -1 0 327.365 3.104 40 10 EGCBRM O=C1[N-]N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1 ZINC000000342448 452566622 /nfs/dbraw/zinc/56/66/22/452566622.db2.gz RUGYIKVYDGAVDT-ZROIWOOFSA-N -1 0 332.281 3.167 40 10 EGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000006083644 452919131 /nfs/dbraw/zinc/91/91/31/452919131.db2.gz JNVLKLWJXUKIFC-FLIBITNWSA-N -1 0 346.795 3.376 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408873686 457588384 /nfs/dbraw/zinc/58/83/84/457588384.db2.gz WFUSKQFSGSYWAS-UVTDQMKNSA-N -1 0 342.807 3.171 40 10 EGCBRM Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000104204100 219361093 /nfs/dbraw/zinc/36/10/93/219361093.db2.gz PVWSZUQCZGCZPJ-YISVQYQQSA-N -1 0 341.758 3.246 40 10 EGCBRM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000005835639 280186614 /nfs/dbraw/zinc/18/66/14/280186614.db2.gz FVLKKHRUPRHFJS-YTRUQHMWSA-N -1 0 339.413 3.136 40 10 EGCBRM O=C([O-])CCCN1C(=O)/C(=C\c2c(F)cccc2F)SC1=S ZINC000006210106 452924374 /nfs/dbraw/zinc/92/43/74/452924374.db2.gz CEXKSQFJFGYDMG-YRNVUSSQSA-N -1 0 343.376 3.031 40 10 EGCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000006167723 452925403 /nfs/dbraw/zinc/92/54/03/452925403.db2.gz MWNNJIZVIVFQCF-LCYFTJDESA-N -1 0 326.377 3.031 40 10 EGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)cc1C ZINC000408852127 457588760 /nfs/dbraw/zinc/58/87/60/457588760.db2.gz INFWEUOLYFEXOJ-XNTDXEJSSA-N -1 0 338.338 3.109 40 10 EGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000100998476 219113788 /nfs/dbraw/zinc/11/37/88/219113788.db2.gz BOAITPAMGJWPKA-OAHLLOKOSA-N -1 0 327.365 3.478 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc(F)c1 ZINC000059135080 454254249 /nfs/dbraw/zinc/25/42/49/454254249.db2.gz NQDWSIAFWIQNHC-NTEUORMPSA-N -1 0 328.274 3.472 40 10 EGCBRM Cc1cc(C)c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1C ZINC000096663493 454376119 /nfs/dbraw/zinc/37/61/19/454376119.db2.gz XAWITOWUSVAYEP-MDWZMJQESA-N -1 0 335.450 3.288 40 10 EGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C)cc2)C1=O ZINC000408526944 457581235 /nfs/dbraw/zinc/58/12/35/457581235.db2.gz DNCLIFGGCJQAJF-FOWTUZBSSA-N -1 0 349.390 3.136 40 10 EGCBRM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408817189 457588412 /nfs/dbraw/zinc/58/84/12/457588412.db2.gz XHEAPXFTWJSBQP-ZSOIEALJSA-N -1 0 342.376 3.116 40 10 EGCBRM O=C([O-])c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000019891612 304231596 /nfs/dbraw/zinc/23/15/96/304231596.db2.gz NUVMJVTVRVSLOZ-MDWZMJQESA-N -1 0 345.401 3.379 40 10 EGCBRM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Cl)s2)SC1=S ZINC000014177046 453514222 /nfs/dbraw/zinc/51/42/22/453514222.db2.gz WQXPKEOQZUIULB-SOFGYWHQSA-N -1 0 347.870 3.468 40 10 EGCBRM Cc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)cc1C(=O)[O-] ZINC000059105254 454253285 /nfs/dbraw/zinc/25/32/85/454253285.db2.gz JOODSNDFNHZKPN-NTUHNPAUSA-N -1 0 329.333 3.277 40 10 EGCBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408536300 457581312 /nfs/dbraw/zinc/58/13/12/457581312.db2.gz VYYPPCKNTGCNSQ-NTCAYCPXSA-N -1 0 349.390 3.136 40 10 EGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1C ZINC000408784788 457587621 /nfs/dbraw/zinc/58/76/21/457587621.db2.gz XKHKLUSJKNQLHU-GZTJUZNOSA-N -1 0 334.375 3.278 40 10 EGCBRM O=C([O-])CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S ZINC000001013868 452640725 /nfs/dbraw/zinc/64/07/25/452640725.db2.gz YYRLVKBVJKUTJD-YWEYNIOJSA-N -1 0 348.232 3.279 40 10 EGCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374605 452865382 /nfs/dbraw/zinc/86/53/82/452865382.db2.gz YDTZKSDZBWOXTE-KIWPFMIBSA-N -1 0 344.417 3.042 40 10 EGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000006798366 452990571 /nfs/dbraw/zinc/99/05/71/452990571.db2.gz AQISBYLINCAQFN-NPFCYVKHSA-N -1 0 332.359 3.218 40 10 EGCBRM CC(=Nc1cccnc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112111758 454880865 /nfs/dbraw/zinc/88/08/65/454880865.db2.gz UPEOAXNBQDQQJS-WJDWOHSUSA-N -1 0 337.339 3.098 40 10 EGCBRM Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O ZINC000408757979 457587839 /nfs/dbraw/zinc/58/78/39/457587839.db2.gz SYLSBUAYGSSJOD-LICLKQGHSA-N -1 0 337.427 3.372 40 10 EGCBRM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)s1 ZINC000408901771 457590381 /nfs/dbraw/zinc/59/03/81/457590381.db2.gz ZXPDFMZONFYGCZ-OQLLNIDSSA-N -1 0 340.404 3.340 40 10 EGCBRM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1 ZINC000102546163 1292978539 /nfs/dbraw/zinc/97/85/39/1292978539.db2.gz ILLBGDBGGTUGGV-JLHYYAGUSA-N -1 0 331.372 3.098 40 10 EGCBRM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000004426252 210190293 /nfs/dbraw/zinc/19/02/93/210190293.db2.gz BBTRREVUPCHCQA-XYOKQWHBSA-N -1 0 331.374 3.384 40 10 EGCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000019793840 212068986 /nfs/dbraw/zinc/06/89/86/212068986.db2.gz RJZWGPFJTILSFD-KIWPFMIBSA-N -1 0 345.401 3.307 40 10 EGCBRM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)[N-]C3=O)cc21 ZINC000208473210 278493761 /nfs/dbraw/zinc/49/37/61/278493761.db2.gz QLAMCFBFKRDAPP-AWNIVKPZSA-N -1 0 331.803 3.152 40 10 EGCBRM O=C([O-])CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000000966824 452638620 /nfs/dbraw/zinc/63/86/20/452638620.db2.gz NEACZKMYFFINAR-JXMROGBWSA-N -1 0 327.814 3.016 40 10 EGCBRM CCN1c2cc(C)c(/C=C3/NC(=O)[N-]C3=O)cc2[C@@H](C)CC1(C)C ZINC000223577474 456058902 /nfs/dbraw/zinc/05/89/02/456058902.db2.gz LVHJGCHQNKLBBC-DGGAMASNSA-N -1 0 327.428 3.287 40 10 EGCBRM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O ZINC000409000949 457591584 /nfs/dbraw/zinc/59/15/84/457591584.db2.gz OBARPEANESDOSD-UKTHLTGXSA-N -1 0 342.445 3.196 40 10 EGCBRM Cc1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)o1 ZINC000020226950 212114046 /nfs/dbraw/zinc/11/40/46/212114046.db2.gz HLYYKJOXRGSKMF-MDWZMJQESA-N -1 0 328.349 3.369 40 10 EGCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccco3)SC2=S)ccc1O ZINC000019891119 212079371 /nfs/dbraw/zinc/07/93/71/212079371.db2.gz POCZJMHZDYVIMR-GHXNOFRVSA-N -1 0 347.373 3.089 40 10 EGCBRM CN(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000203443 452534756 /nfs/dbraw/zinc/53/47/56/452534756.db2.gz SAXJVFTTWMMNML-MRXNPFEDSA-N -1 0 346.814 3.352 40 10 EGCBRM Cc1cc(C)c(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1C ZINC000007166550 453038813 /nfs/dbraw/zinc/03/88/13/453038813.db2.gz XAWITOWUSVAYEP-JYRVWZFOSA-N -1 0 335.450 3.288 40 10 EGCBRM CC[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409409991 457598994 /nfs/dbraw/zinc/59/89/94/457598994.db2.gz YDMQYADCVNAETN-RVAQLADHSA-N -1 0 336.391 3.325 40 10 EGCBRM O=C([O-])CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000000966920 209695919 /nfs/dbraw/zinc/69/59/19/209695919.db2.gz CDYUPXAPPDEIKP-YCRREMRBSA-N -1 0 348.232 3.279 40 10 EGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000019891135 212080116 /nfs/dbraw/zinc/08/01/16/212080116.db2.gz VSEKXUGNKDYGLQ-SMULGIRPSA-N -1 0 341.479 3.449 40 10 EGCBRM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c1 ZINC000013475931 453468410 /nfs/dbraw/zinc/46/84/10/453468410.db2.gz BHFPIPOWNHCUDR-GHXNOFRVSA-N -1 0 331.374 3.134 40 10 EGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1C ZINC000033385770 453915017 /nfs/dbraw/zinc/91/50/17/453915017.db2.gz RWICPLCUBBCTFF-XNTDXEJSSA-N -1 0 329.400 3.277 40 10 EGCBRM O=C1N=C(Nc2ccccc2)SC1=Cc1cccc([N+](=O)[O-])c1[O-] ZINC000033908401 453918519 /nfs/dbraw/zinc/91/85/19/453918519.db2.gz BTBILZVRCPXJCK-UKTHLTGXSA-N -1 0 341.348 3.383 40 10 EGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)cc3)C2=O)cc1 ZINC000408984531 457591119 /nfs/dbraw/zinc/59/11/19/457591119.db2.gz IVXMWYPPXFLIBF-ATVHPVEESA-N -1 0 334.375 3.224 40 10 EGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)cc1Cl ZINC000409228049 457596161 /nfs/dbraw/zinc/59/61/61/457596161.db2.gz SWSKNLOATFHFGH-XYOKQWHBSA-N -1 0 346.795 3.073 40 10 EGCBRM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005374104 280186780 /nfs/dbraw/zinc/18/67/80/280186780.db2.gz UVENSBNAADANJK-SEVUFMINSA-N -1 0 339.413 3.136 40 10 EGCBRM CC(C)CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000033306918 453914330 /nfs/dbraw/zinc/91/43/30/453914330.db2.gz CAJSAWMFPCQONH-WUXMJOGZSA-N -1 0 338.410 3.158 40 10 EGCBRM CCc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)cc1 ZINC000107971549 454779220 /nfs/dbraw/zinc/77/92/20/454779220.db2.gz QEJWSCIFTAAFQH-GXDHUFHOSA-N -1 0 342.445 3.142 40 10 EGCBRM Cc1ccsc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000013546844 302299140 /nfs/dbraw/zinc/29/91/40/302299140.db2.gz PPFOBCIFOITYDE-XFXZXTDPSA-N -1 0 326.377 3.031 40 10 EGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccsc2)C1=O ZINC000409242105 457597277 /nfs/dbraw/zinc/59/72/77/457597277.db2.gz LXUZJVTWEZUGCU-YRNVUSSQSA-N -1 0 346.795 3.376 40 10 EGCBRM CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000013574906 453472588 /nfs/dbraw/zinc/47/25/88/453472588.db2.gz ZUICYHSFKVTBBI-PTNGSMBKSA-N -1 0 342.782 3.200 40 10 EGCBRM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S ZINC000069972885 454162129 /nfs/dbraw/zinc/16/21/29/454162129.db2.gz VTSBRBZFKUKBDM-WDZFZDKYSA-N -1 0 343.376 3.031 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 ZINC000224858597 456069771 /nfs/dbraw/zinc/06/97/71/456069771.db2.gz TZXJPTYHLCAVJM-GXDHUFHOSA-N -1 0 342.807 3.171 40 10 EGCBRM Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000104204096 204099953 /nfs/dbraw/zinc/09/99/53/204099953.db2.gz PVWSZUQCZGCZPJ-ATQAJOFPSA-N -1 0 341.758 3.246 40 10 EGCBRM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005374098 452865622 /nfs/dbraw/zinc/86/56/22/452865622.db2.gz UVENSBNAADANJK-RDQDRAATSA-N -1 0 339.413 3.136 40 10 EGCBRM CCc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)[O-])o1 ZINC000007365663 453066912 /nfs/dbraw/zinc/06/69/12/453066912.db2.gz IVIDQBWBSLBZHC-SDNWHVSQSA-N -1 0 345.424 3.450 40 10 EGCBRM Cc1ccc(C)n1-c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000059961069 454265191 /nfs/dbraw/zinc/26/51/91/454265191.db2.gz FIADZSLJOUKQAZ-UHFFFAOYSA-N -1 0 333.438 3.351 40 10 EGCBRM Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(C)c1 ZINC000013343543 201891662 /nfs/dbraw/zinc/89/16/62/201891662.db2.gz VATYYYGHBSIZSQ-LCYFTJDESA-N -1 0 335.450 3.369 40 10 EGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005893655 283476574 /nfs/dbraw/zinc/47/65/74/283476574.db2.gz TWRCCMVAWAFZFA-SERMCNLOSA-N -1 0 339.413 3.280 40 10 EGCBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1 ZINC000000453638 304655531 /nfs/dbraw/zinc/65/55/31/304655531.db2.gz RVGJFMMFZLFJSP-ZROIWOOFSA-N -1 0 337.291 3.102 40 10 EGCBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(C)c2)SC1=S ZINC000005373456 452865394 /nfs/dbraw/zinc/86/53/94/452865394.db2.gz NREKYQNWLAYJKD-FNWMBBJUSA-N -1 0 335.450 3.450 40 10 EGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cnn(-c2ccccc2)n1 ZINC000100955118 454468302 /nfs/dbraw/zinc/46/83/02/454468302.db2.gz WXEWLFPQFOWWMX-UAFUQJIBSA-N -1 0 345.366 3.142 40 10 EGCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc[nH]2)S1 ZINC000020226984 202037161 /nfs/dbraw/zinc/03/71/61/202037161.db2.gz ZMCYBNIYTSBNIS-MDWZMJQESA-N -1 0 327.365 3.104 40 10 EGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000435988 304680128 /nfs/dbraw/zinc/68/01/28/304680128.db2.gz YPBYPPFDNRJIMT-MDWZMJQESA-N -1 0 333.174 3.455 40 10 EGCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1 ZINC000005374645 452865251 /nfs/dbraw/zinc/86/52/51/452865251.db2.gz OXASDSGYGOWCMI-WQLSENKSSA-N -1 0 330.390 3.119 40 10 EGCBRM CCCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000090447648 454305684 /nfs/dbraw/zinc/30/56/84/454305684.db2.gz MLMFINZRYUHFSV-NBVRZTHBSA-N -1 0 336.391 3.327 40 10 EGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408776498 457588048 /nfs/dbraw/zinc/58/80/48/457588048.db2.gz ZVVYOLRAQKVIMU-GZTJUZNOSA-N -1 0 334.375 3.278 40 10 EGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1F ZINC000408900740 457589982 /nfs/dbraw/zinc/58/99/82/457589982.db2.gz UIUPPELOKLJFPX-UKTHLTGXSA-N -1 0 344.729 3.146 40 10 EGCBRM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccsc1 ZINC000409229753 457595630 /nfs/dbraw/zinc/59/56/30/457595630.db2.gz UPPAVNFLFBMWLN-JXMROGBWSA-N -1 0 348.836 3.233 40 10 EGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000408987901 457590920 /nfs/dbraw/zinc/59/09/20/457590920.db2.gz PICSENSVAKWUBR-WJDWOHSUSA-N -1 0 338.338 3.055 40 10 EGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)cc1 ZINC000408984017 457591429 /nfs/dbraw/zinc/59/14/29/457591429.db2.gz HTPRBZORMZEQHR-PTNGSMBKSA-N -1 0 338.338 3.055 40 10 EGCBRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000006635879 1291050072 /nfs/dbraw/zinc/05/00/72/1291050072.db2.gz AYBJANZMICZZHE-HQQGHWSLSA-N -1 0 339.438 3.433 40 10 EGCBRM Cc1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)o1 ZINC000019891074 202025461 /nfs/dbraw/zinc/02/54/61/202025461.db2.gz HLYYKJOXRGSKMF-JYRVWZFOSA-N -1 0 328.349 3.369 40 10 EGCBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000004745740 210268479 /nfs/dbraw/zinc/26/84/79/210268479.db2.gz RGWSJDWDLVIHQF-UEUZTHOGSA-N -1 0 325.411 3.043 40 10 EGCBRM Cc1cc(=O)oc2c1ccc([O-])c2C1=NN(C=O)[C@H](c2ccccc2)C1 ZINC000005885980 280306089 /nfs/dbraw/zinc/30/60/89/280306089.db2.gz QLTDYGIOVYGJHR-INIZCTEOSA-N -1 0 348.358 3.115 40 10 EGCBRM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000344834 452568596 /nfs/dbraw/zinc/56/85/96/452568596.db2.gz LDJUKZFDLRSGIK-OVCLIPMQSA-N -1 0 337.766 3.283 40 10 EGCBRM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000033297576 453913756 /nfs/dbraw/zinc/91/37/56/453913756.db2.gz UULQWQZZJJLJPF-LDADJPATSA-N -1 0 349.390 3.257 40 10 EGCBRM O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000058865900 454239568 /nfs/dbraw/zinc/23/95/68/454239568.db2.gz NJKFLJAAMGFTDV-UHFFFAOYSA-N -1 0 343.162 3.453 40 10 EGCBRM CC(C)c1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1 ZINC000001314548 452652627 /nfs/dbraw/zinc/65/26/27/452652627.db2.gz ZMIRUUDEIHTNIN-SEEODLKFSA-N -1 0 335.450 3.484 40 10 EGCBRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C)o2)SC1=S ZINC000005373837 452864455 /nfs/dbraw/zinc/86/44/55/452864455.db2.gz IZDRRPFNECLQEI-RSBGCTCZSA-N -1 0 339.438 3.289 40 10 EGCBRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c1 ZINC000005410474 452869307 /nfs/dbraw/zinc/86/93/07/452869307.db2.gz VRPQUHSRDPZSRE-XYOKQWHBSA-N -1 0 331.374 3.384 40 10 EGCBRM 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