smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccsc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107198245 1024078686 /nfs/dbraw/zinc/07/86/86/1024078686.db2.gz IBTXRUFTYAKHFA-UHFFFAOYSA-N -1 3 347.490 4.165 50 0 EIAAHM O=c1ccnc(C(=Cc2ccc(Cl)c(F)c2)Cc2ccccc2)[n-]1 ZINC000170612944 1036706913 /nfs/dbraw/zinc/70/69/13/1036706913.db2.gz ZSDTTWVVPMWHMM-PTNGSMBKSA-N -1 3 340.785 4.346 50 0 EIAAHM Cc1c(CNCc2ccccc2C)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000021025838 202061512 /nfs/dbraw/zinc/06/15/12/202061512.db2.gz PKYHEVSBVQTDPQ-UHFFFAOYSA-N -1 3 348.446 4.391 50 0 EIAAHM Cc1nc(-c2cccnc2)sc1C(=O)[N-]c1c(F)cccc1F ZINC000022237505 202081179 /nfs/dbraw/zinc/08/11/79/202081179.db2.gz AJFSRSKXNRCWNP-UHFFFAOYSA-N -1 3 331.347 4.044 50 0 EIAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000026368772 202141347 /nfs/dbraw/zinc/14/13/47/202141347.db2.gz BFAZNNILQMHYCI-UHFFFAOYSA-N -1 3 333.800 4.321 50 0 EIAAHM CC(C)c1ccc(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)cc1 ZINC000027662596 202159088 /nfs/dbraw/zinc/15/90/88/202159088.db2.gz SCDMLAUWFYDYBL-CYBMUJFWSA-N -1 3 328.412 4.083 50 0 EIAAHM Cc1cc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)ccc1Cl ZINC000027664253 202159463 /nfs/dbraw/zinc/15/94/63/202159463.db2.gz GOOMKYZMINEOOK-UHFFFAOYSA-N -1 3 342.782 4.321 50 0 EIAAHM CCc1ccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccccc3)no2)cc1 ZINC000027664479 202159563 /nfs/dbraw/zinc/15/95/63/202159563.db2.gz YIHGANMFAXPSDU-AWEZNQCLSA-N -1 3 336.391 4.310 50 0 EIAAHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000041095264 202472682 /nfs/dbraw/zinc/47/26/82/202472682.db2.gz FAGAWXMXNXBFOW-ZANVPECISA-N -1 3 336.284 4.159 50 0 EIAAHM O=C([O-])c1ccccc1[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000072165693 203179522 /nfs/dbraw/zinc/17/95/22/203179522.db2.gz DPVPMDVZDPYIJJ-INIZCTEOSA-N -1 3 348.402 4.029 50 0 EIAAHM O=C([O-])c1ccccc1[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000072165694 203180055 /nfs/dbraw/zinc/18/00/55/203180055.db2.gz DPVPMDVZDPYIJJ-MRXNPFEDSA-N -1 3 348.402 4.029 50 0 EIAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3ccc(F)cc3)n[nH]2)cc1Cl ZINC000072238556 203184192 /nfs/dbraw/zinc/18/41/92/203184192.db2.gz ALHKGJKOWABHDW-UHFFFAOYSA-N -1 3 345.761 4.136 50 0 EIAAHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1F ZINC000041091276 204002435 /nfs/dbraw/zinc/00/24/35/204002435.db2.gz ULFPMOSARSQEQT-UHFFFAOYSA-N -1 3 334.199 4.242 50 0 EIAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccccc2F)C1 ZINC000102740906 204048496 /nfs/dbraw/zinc/04/84/96/204048496.db2.gz JFSATGIQNCVJJM-AWEZNQCLSA-N -1 3 328.347 4.080 50 0 EIAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)on1 ZINC000012422378 207144482 /nfs/dbraw/zinc/14/44/82/207144482.db2.gz FMRUUZSMMDWGHR-UHFFFAOYSA-N -1 3 325.802 4.074 50 0 EIAAHM CC[C@@H](C)NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000000480380 563336049 /nfs/dbraw/zinc/33/60/49/563336049.db2.gz SUBHKUZTUIHMJA-CZUORRHYSA-N -1 3 331.843 4.482 50 0 EIAAHM COc1ccc(/C=C/c2ccc3cccc([O-])c3n2)c(OC)c1OC ZINC000004140896 563495936 /nfs/dbraw/zinc/49/59/36/563495936.db2.gz VBCORLLIMLGHGR-DHZHZOJOSA-N -1 3 337.375 4.137 50 0 EIAAHM [O-]C(=C[C@@](O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1 ZINC000004197923 563497690 /nfs/dbraw/zinc/49/76/90/563497690.db2.gz NQEQEWWIEDXSKV-CQSZACIVSA-N -1 3 332.318 4.109 50 0 EIAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1[O-] ZINC000004512096 563503979 /nfs/dbraw/zinc/50/39/79/563503979.db2.gz YWTWYAIVGOFHLW-UHFFFAOYSA-N -1 3 328.755 4.261 50 0 EIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000004671167 563507724 /nfs/dbraw/zinc/50/77/24/563507724.db2.gz AWDHBGKVQYBCHT-UHFFFAOYSA-N -1 3 334.199 4.242 50 0 EIAAHM C=CN1CCC(=C([O-])c2cc(-c3ccccc3)nc3ccccc32)C1=O ZINC000006658252 563576349 /nfs/dbraw/zinc/57/63/49/563576349.db2.gz SUVSFHWVUMCRSK-QGZVFWFLSA-N -1 3 342.398 4.077 50 0 EIAAHM CCSc1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000017028255 563829400 /nfs/dbraw/zinc/82/94/00/563829400.db2.gz SHZFHKHQNDVPTN-UHFFFAOYSA-N -1 3 349.412 4.302 50 0 EIAAHM Cc1ccc(NC(=S)Nc2ccc(Br)cc2)c([O-])c1 ZINC000017070832 563833516 /nfs/dbraw/zinc/83/35/16/563833516.db2.gz UEWWRELIWUEQKK-UHFFFAOYSA-N -1 3 337.242 4.272 50 0 EIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000394056 563842244 /nfs/dbraw/zinc/84/22/44/563842244.db2.gz KJDDAZPFGUKHAX-UHFFFAOYSA-N -1 3 335.428 4.367 50 0 EIAAHM Cc1cccc(SC2CCN(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000067490374 563962273 /nfs/dbraw/zinc/96/22/73/563962273.db2.gz WYLDGUGJHRPLPK-UHFFFAOYSA-N -1 3 341.476 4.450 50 0 EIAAHM CCc1ccc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2[O-])cc1 ZINC000000359384 563991645 /nfs/dbraw/zinc/99/16/45/563991645.db2.gz USDVTJLJZRHTAY-AWEZNQCLSA-N -1 3 327.424 4.486 50 0 EIAAHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cccc(F)c1Cl ZINC000079702223 564001018 /nfs/dbraw/zinc/00/10/18/564001018.db2.gz NEAIKYUZZCERSV-UHFFFAOYSA-N -1 3 333.775 4.250 50 0 EIAAHM Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)c1 ZINC000005926944 564057026 /nfs/dbraw/zinc/05/70/26/564057026.db2.gz TXMUDFRMWABBJK-UHFFFAOYSA-N -1 3 341.798 4.305 50 0 EIAAHM Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)c1 ZINC000005926944 564057027 /nfs/dbraw/zinc/05/70/27/564057027.db2.gz TXMUDFRMWABBJK-UHFFFAOYSA-N -1 3 341.798 4.305 50 0 EIAAHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2n[n-]nc2c1 ZINC000012547437 564058992 /nfs/dbraw/zinc/05/89/92/564058992.db2.gz WJLYJYZSVCWCNU-UHFFFAOYSA-N -1 3 330.347 4.003 50 0 EIAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CCCC1 ZINC000053814196 564084105 /nfs/dbraw/zinc/08/41/05/564084105.db2.gz BEPHZCINLPQJTQ-UHFFFAOYSA-N -1 3 339.464 4.026 50 0 EIAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)C(F)(F)F ZINC000001986349 564090377 /nfs/dbraw/zinc/09/03/77/564090377.db2.gz UYQSKOREBWGUGB-UHFFFAOYSA-N -1 3 343.326 4.093 50 0 EIAAHM O=C(COc1ccccc1Cl)[N-]c1cc(-c2ccccc2)no1 ZINC000006811472 564098641 /nfs/dbraw/zinc/09/86/41/564098641.db2.gz JQXMZTJSCRWUSL-UHFFFAOYSA-N -1 3 328.755 4.013 50 0 EIAAHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc2ccccc2c1 ZINC000007405587 564107960 /nfs/dbraw/zinc/10/79/60/564107960.db2.gz JFYWCCJTBPQXDT-UHFFFAOYSA-N -1 3 335.787 4.433 50 0 EIAAHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000675589433 564115987 /nfs/dbraw/zinc/11/59/87/564115987.db2.gz VNEJNZJARQCOFJ-INIZCTEOSA-N -1 3 336.391 4.209 50 0 EIAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](c1cccs1)SCC(=O)N2 ZINC000095475263 564141386 /nfs/dbraw/zinc/14/13/86/564141386.db2.gz OGFJKYCTFGJZLN-CQSZACIVSA-N -1 3 349.481 4.167 50 0 EIAAHM CC(C)(C)c1csc([N-]C(=O)c2cc(-c3ccccc3F)on2)n1 ZINC000030039203 564155300 /nfs/dbraw/zinc/15/53/00/564155300.db2.gz QWHAZLCDNFSTRL-UHFFFAOYSA-N -1 3 345.399 4.487 50 0 EIAAHM CN(Cc1cccc(C(=O)[O-])c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000263397788 564161468 /nfs/dbraw/zinc/16/14/68/564161468.db2.gz HDNJNNHQUTUYGW-OALUTQOASA-N -1 3 339.435 4.063 50 0 EIAAHM CCCc1nnc([N-]C(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000007996126 564162048 /nfs/dbraw/zinc/16/20/48/564162048.db2.gz OCBBUPRKXXYFFJ-UHFFFAOYSA-N -1 3 344.465 4.175 50 0 EIAAHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000008326976 564164432 /nfs/dbraw/zinc/16/44/32/564164432.db2.gz OOFWSWYJHGPRPA-UZZMVUAXSA-N -1 3 339.526 4.021 50 0 EIAAHM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2[O-])cc1 ZINC000008404708 564165164 /nfs/dbraw/zinc/16/51/64/564165164.db2.gz OMMBTUQVXULKMJ-UHFFFAOYSA-N -1 3 327.424 4.487 50 0 EIAAHM [O-]c1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1 ZINC000096295712 201375738 /nfs/dbraw/zinc/37/57/38/201375738.db2.gz HGLIQONJYMUJHT-UHFFFAOYSA-N -1 3 333.160 4.351 50 0 EIAAHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000006628266 201688031 /nfs/dbraw/zinc/68/80/31/201688031.db2.gz ZIWGGQFWIFNRPJ-LLVKDONJSA-N -1 3 338.300 4.487 50 0 EIAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000071279860 203088242 /nfs/dbraw/zinc/08/82/42/203088242.db2.gz BGLSPYARUNTFPW-ZDUSSCGKSA-N -1 3 331.441 4.257 50 0 EIAAHM Cc1cccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)c1[O-] ZINC000071613974 203101278 /nfs/dbraw/zinc/10/12/78/203101278.db2.gz UIFXYDQINCMQOD-MRXNPFEDSA-N -1 3 341.426 4.325 50 0 EIAAHM O=C(c1ccccc1[O-])N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071730596 203104451 /nfs/dbraw/zinc/10/44/51/203104451.db2.gz GMPYLIUIBVMGHQ-AWEZNQCLSA-N -1 3 345.389 4.155 50 0 EIAAHM O=C(c1cccc([O-])c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071759611 203108865 /nfs/dbraw/zinc/10/88/65/203108865.db2.gz PJWJCMJKTABNPD-INIZCTEOSA-N -1 3 327.399 4.016 50 0 EIAAHM O=C([O-])c1ccccc1[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000072174018 203181878 /nfs/dbraw/zinc/18/18/78/203181878.db2.gz VQDIJHGCIWJBFC-CYBMUJFWSA-N -1 3 333.790 4.167 50 0 EIAAHM CCc1cc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c([O-])cc1O ZINC000101373212 204005382 /nfs/dbraw/zinc/00/53/82/204005382.db2.gz CCOQIEJNCYMOKV-UHFFFAOYSA-N -1 3 330.771 4.496 50 0 EIAAHM CC[C@H](C)Sc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079417 564160390 /nfs/dbraw/zinc/16/03/90/564160390.db2.gz ZQHWPIUUVOLMER-ZETCQYMHSA-N -1 3 345.852 4.474 50 0 EIAAHM O=S(=O)([N-]c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000000186078 563255528 /nfs/dbraw/zinc/25/55/28/563255528.db2.gz FUGYLNQMOSTUIS-UHFFFAOYSA-N -1 3 335.734 4.160 50 0 EIAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc3ccccc32)N1 ZINC000000408723 563307647 /nfs/dbraw/zinc/30/76/47/563307647.db2.gz VZLUBLQTLIFDKP-UXHICEINSA-N -1 3 342.398 4.009 50 0 biogenic EIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C ZINC000006667888 563577078 /nfs/dbraw/zinc/57/70/78/563577078.db2.gz DIEPYOCGHDPYPR-UHFFFAOYSA-N -1 3 339.844 4.156 50 0 EIAAHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000013109862 563688108 /nfs/dbraw/zinc/68/81/08/563688108.db2.gz MFJGWBASWUCPNS-UHFFFAOYSA-N -1 3 338.162 4.072 50 0 EIAAHM C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N1CCC[C@@H](C)C1 ZINC000014186435 563748591 /nfs/dbraw/zinc/74/85/91/563748591.db2.gz GPCPYXWKQMVFMV-NEPJUHHUSA-N -1 3 343.452 4.038 50 0 EIAAHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1 ZINC000014223695 563752024 /nfs/dbraw/zinc/75/20/24/563752024.db2.gz VFHLMHYXFUELCP-UHFFFAOYSA-N -1 3 333.453 4.147 50 0 EIAAHM O=C([O-])c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 ZINC000015083777 563777192 /nfs/dbraw/zinc/77/71/92/563777192.db2.gz AMVRJANYNHWTDN-UHFFFAOYSA-N -1 3 339.366 4.116 50 0 EIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 ZINC000016780605 563824081 /nfs/dbraw/zinc/82/40/81/563824081.db2.gz USDBKCJDSYHCTH-UHFFFAOYSA-N -1 3 347.480 4.356 50 0 EIAAHM Cc1cc2c([nH]c(=S)n(-c3cc(C(C)(C)C)ccc3[O-])c2=O)s1 ZINC000017072160 563835742 /nfs/dbraw/zinc/83/57/42/563835742.db2.gz JIYMXQHHBKPLMG-UHFFFAOYSA-N -1 3 346.477 4.047 50 0 EIAAHM Cc1cccc(N([O-])C(=O)Oc2cccc(NC(=O)OC(C)C)c2)c1 ZINC000022015127 563918446 /nfs/dbraw/zinc/91/84/46/563918446.db2.gz XEEOTTTVAKNONB-UHFFFAOYSA-N -1 3 344.367 4.347 50 0 EIAAHM Cc1noc(C)c1[N-]C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000058024132 563936815 /nfs/dbraw/zinc/93/68/15/563936815.db2.gz SHZVMNBZDCDTIH-UHFFFAOYSA-N -1 3 331.372 4.115 50 0 EIAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 ZINC000005643070 564006927 /nfs/dbraw/zinc/00/69/27/564006927.db2.gz UEZUJIKAUISELV-MLGOLLRUSA-N -1 3 345.468 4.033 50 0 EIAAHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc([O-])cc1 ZINC000005693661 564019146 /nfs/dbraw/zinc/01/91/46/564019146.db2.gz UWROJMPQLGYGFM-HXUWFJFHSA-N -1 3 332.355 4.173 50 0 EIAAHM c1csc(-c2nc(SCc3ncc(-c4ccccc4)o3)n[n-]2)c1 ZINC000008230889 564034967 /nfs/dbraw/zinc/03/49/67/564034967.db2.gz CEVLTXTUWAPAGY-UHFFFAOYSA-N -1 3 340.433 4.481 50 0 EIAAHM Cc1ccccc1OCc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000001001045 564053974 /nfs/dbraw/zinc/05/39/74/564053974.db2.gz NGLOYHYGZLSFOW-UHFFFAOYSA-N -1 3 332.359 4.483 50 0 EIAAHM COc1ccc(-c2noc([N-]c3cc(C)cc(C)c3)n2)cc1OC ZINC000015680997 564070736 /nfs/dbraw/zinc/07/07/36/564070736.db2.gz IEMQFMJSORAXOD-UHFFFAOYSA-N -1 3 325.368 4.114 50 0 EIAAHM O=C([N-]c1ccccc1Cl)c1cc(OCc2ccccc2)no1 ZINC000090610016 564084939 /nfs/dbraw/zinc/08/49/39/564084939.db2.gz UHQVXGBDXRXZFT-UHFFFAOYSA-N -1 3 328.755 4.159 50 0 EIAAHM C[C@@H]1CCCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000007285543 564106445 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[O-]c1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751697 563965187 /nfs/dbraw/zinc/96/51/87/563965187.db2.gz JELJQMFQTAUVQB-KRWDZBQOSA-N -1 3 338.234 4.273 50 0 EIAAHM Cc1cc(C)cc(CSc2ncc(CN3CCCCC3)c(=O)[n-]2)c1 ZINC000043804338 563974275 /nfs/dbraw/zinc/97/42/75/563974275.db2.gz WRKGTZCMMKKQGH-UHFFFAOYSA-N -1 3 343.496 4.077 50 0 EIAAHM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1 ZINC000000211351 563988610 /nfs/dbraw/zinc/98/86/10/563988610.db2.gz DJPGKGJRDKNESZ-UHFFFAOYSA-N -1 3 345.354 4.294 50 0 EIAAHM O=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1ccc([O-])cc1 ZINC000001211270 564003038 /nfs/dbraw/zinc/00/30/38/564003038.db2.gz YXUKVFZVBCRIGF-NTEUORMPSA-N -1 3 331.780 4.287 50 0 EIAAHM CCOc1ccccc1C(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000002082077 564058257 /nfs/dbraw/zinc/05/82/57/564058257.db2.gz RIWBDTMYMPHOAL-UHFFFAOYSA-N -1 3 331.240 4.033 50 0 EIAAHM CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000120885040 564060538 /nfs/dbraw/zinc/06/05/38/564060538.db2.gz PBFIIQNKTHMLBE-HIFRSBDPSA-N -1 3 339.439 4.070 50 0 EIAAHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000001599484 564081690 /nfs/dbraw/zinc/08/16/90/564081690.db2.gz DWURMHZPNXLARL-UHFFFAOYSA-N -1 3 332.355 4.099 50 0 EIAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1ccccc1 ZINC000007285400 564106412 /nfs/dbraw/zinc/10/64/12/564106412.db2.gz HRNMSLPDVMTFFE-UHFFFAOYSA-N -1 3 347.443 4.288 50 0 EIAAHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CCCCCCC3)nc2)n1 ZINC000170623496 564110442 /nfs/dbraw/zinc/11/04/42/564110442.db2.gz CMDWRPJYPCEXSJ-UHFFFAOYSA-N -1 3 340.471 4.167 50 0 EIAAHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000041095267 564173092 /nfs/dbraw/zinc/17/30/92/564173092.db2.gz FAGAWXMXNXBFOW-NOZJJQNGSA-N -1 3 336.284 4.159 50 0 EIAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 ZINC000071279294 564174794 /nfs/dbraw/zinc/17/47/94/564174794.db2.gz QPMJPOXPGDBRAY-ZDUSSCGKSA-N -1 3 337.379 4.141 50 0 EIAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000071279861 564174826 /nfs/dbraw/zinc/17/48/26/564174826.db2.gz BGLSPYARUNTFPW-CYBMUJFWSA-N -1 3 331.441 4.257 50 0 EIAAHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004659137 210240359 /nfs/dbraw/zinc/24/03/59/210240359.db2.gz VVYGRXJWHDHGLU-NSHDSACASA-N -1 3 338.300 4.488 50 0 EIAAHM CCCN(CCC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000058337590 214551296 /nfs/dbraw/zinc/55/12/96/214551296.db2.gz ZKRZQTUMZJUCKQ-UHFFFAOYSA-N -1 3 341.480 4.274 50 0 EIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000004618292 210231734 /nfs/dbraw/zinc/23/17/34/210231734.db2.gz XRMMSJLYCDGSBX-UHFFFAOYSA-N -1 3 327.405 4.039 50 0 EIAAHM O=C(Nc1ccccc1OCCOc1ccccc1)c1ccc([O-])cc1 ZINC000063872563 214774479 /nfs/dbraw/zinc/77/44/79/214774479.db2.gz FJJGOGLJJUZJTJ-UHFFFAOYSA-N -1 3 349.386 4.102 50 0 EIAAHM CCSc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000003612298 210065887 /nfs/dbraw/zinc/06/58/87/210065887.db2.gz MXAZTDWBGGGHOY-UHFFFAOYSA-N -1 3 337.401 4.096 50 0 EIAAHM C[C@H]1CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccc3ncccc3c2)C1 ZINC000102602630 219213358 /nfs/dbraw/zinc/21/33/58/219213358.db2.gz XZKYGSHMXHSJRY-QGHHPUGFSA-N -1 3 347.378 4.099 50 0 EIAAHM CCN(CC)c1ccc2cc(-c3nc4ccccc4[n-]3)c(=O)oc2c1 ZINC000000044953 209388603 /nfs/dbraw/zinc/38/86/03/209388603.db2.gz GOLORTLGFDVFDW-UHFFFAOYSA-N -1 3 333.391 4.183 50 0 biogenic EIAAHM Cc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)c1C ZINC000072427505 216218580 /nfs/dbraw/zinc/21/85/80/216218580.db2.gz FQQIIOBXJWNGMT-UHFFFAOYSA-N -1 3 341.798 4.305 50 0 EIAAHM Cc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)c1C ZINC000072427505 216218582 /nfs/dbraw/zinc/21/85/82/216218582.db2.gz FQQIIOBXJWNGMT-UHFFFAOYSA-N -1 3 341.798 4.305 50 0 EIAAHM O=c1[n-]c(-c2ccc3cc[nH]c3n2)nc2cc(Cl)c(Cl)cc12 ZINC000242047849 243010933 /nfs/dbraw/zinc/01/09/33/243010933.db2.gz VQPQGANAMDVQHZ-UHFFFAOYSA-N -1 3 331.162 4.186 50 0 EIAAHM O=C(Nc1ccccc1[O-])c1cc(-c2ccncc2)nc2ccccc21 ZINC000012527375 211399098 /nfs/dbraw/zinc/39/90/98/211399098.db2.gz RXMOBJSCFJWAHW-UHFFFAOYSA-N -1 3 341.370 4.255 50 0 EIAAHM CSc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000009694992 211116852 /nfs/dbraw/zinc/11/68/52/211116852.db2.gz DVTGAZLQCBUWKR-UHFFFAOYSA-N -1 3 327.858 4.004 50 0 EIAAHM CCOc1cc([O-])c(-c2n[nH]c(C)c2-c2nc(C)cs2)cc1CC ZINC000009110903 211040148 /nfs/dbraw/zinc/04/01/48/211040148.db2.gz QKYKAMAUUGFTMC-UHFFFAOYSA-N -1 3 343.452 4.484 50 0 EIAAHM O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)[N-]Cc1ccccc1 ZINC000000172875 527109958 /nfs/dbraw/zinc/10/99/58/527109958.db2.gz TXBDCWHEPDPCDF-UHFFFAOYSA-N -1 3 339.247 4.049 50 0 EIAAHM c1csc(-c2nsc(Sc3n[n-]c(-c4ccccc4)n3)n2)c1 ZINC000000127404 563237235 /nfs/dbraw/zinc/23/72/35/563237235.db2.gz AHVHAOXVAUASEY-UHFFFAOYSA-N -1 3 343.462 4.203 50 0 EIAAHM Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)n1 ZINC000000300198 563275641 /nfs/dbraw/zinc/27/56/41/563275641.db2.gz MJZPVJAZGCSQSL-UHFFFAOYSA-N -1 3 342.402 4.319 50 0 EIAAHM Cc1ccccc1CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000000618429 563360263 /nfs/dbraw/zinc/36/02/63/563360263.db2.gz CIBFXYXYVQAPTB-UHFFFAOYSA-N -1 3 347.490 4.453 50 0 EIAAHM CC(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000002501173 563434536 /nfs/dbraw/zinc/43/45/36/563434536.db2.gz XQXQIOIYGHJLBZ-UHFFFAOYSA-N -1 3 327.409 4.163 50 0 EIAAHM CC(C)c1ccc(C(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000002501173 563434538 /nfs/dbraw/zinc/43/45/38/563434538.db2.gz XQXQIOIYGHJLBZ-UHFFFAOYSA-N -1 3 327.409 4.163 50 0 EIAAHM CC(C)c1ccc(C(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000002501173 563434539 /nfs/dbraw/zinc/43/45/39/563434539.db2.gz XQXQIOIYGHJLBZ-UHFFFAOYSA-N -1 3 327.409 4.163 50 0 EIAAHM Cc1ccc(-n2c(COc3ccccc3Cl)n[n-]c2=S)cc1 ZINC000002582291 563443296 /nfs/dbraw/zinc/44/32/96/563443296.db2.gz ZVIVZWQFCLTPAT-UHFFFAOYSA-N -1 3 331.828 4.097 50 0 EIAAHM CCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000002846496 563455279 /nfs/dbraw/zinc/45/52/79/563455279.db2.gz TUMZLROMNYYTSU-UHFFFAOYSA-N -1 3 333.453 4.120 50 0 EIAAHM CCCCS(=O)(=O)[N-]c1ccc2c(c1)ncn2C1CCCCC1 ZINC000006467624 563568755 /nfs/dbraw/zinc/56/87/55/563568755.db2.gz KLEMSSSVSLEGOD-UHFFFAOYSA-N -1 3 335.473 4.083 50 0 EIAAHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000014247557 563754994 /nfs/dbraw/zinc/75/49/94/563754994.db2.gz YGZCNDYPRYELIK-UHFFFAOYSA-N -1 3 341.798 4.100 50 0 EIAAHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3[O-])cs2)cc1 ZINC000014247417 563755023 /nfs/dbraw/zinc/75/50/23/563755023.db2.gz NEBBPIAATZGHRW-UHFFFAOYSA-N -1 3 338.432 4.314 50 0 EIAAHM CC[C@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c([O-])c1 ZINC000015768858 563792293 /nfs/dbraw/zinc/79/22/93/563792293.db2.gz ONAJLRGEMFPPIK-LBPRGKRZSA-N -1 3 329.396 4.175 50 0 EIAAHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000016101628 563803577 /nfs/dbraw/zinc/80/35/77/563803577.db2.gz WVITYTGCKZEZEY-UHFFFAOYSA-N -1 3 338.162 4.072 50 0 EIAAHM CC(C)c1c(C(=O)Nc2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000024662036 563873808 /nfs/dbraw/zinc/87/38/08/563873808.db2.gz ZYKXHEYGKBNHJH-UHFFFAOYSA-N -1 3 339.370 4.093 50 0 EIAAHM CC(C)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000029189513 563905259 /nfs/dbraw/zinc/90/52/59/563905259.db2.gz IURNGNITQVFCSJ-GOSISDBHSA-N -1 3 347.418 4.156 50 0 EIAAHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(Cl)cc1Cl ZINC000041095130 563924263 /nfs/dbraw/zinc/92/42/63/563924263.db2.gz ORPFIEBMMIVMQX-NSHDSACASA-N -1 3 344.263 4.341 50 0 EIAAHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C4CC4)s3)s2)o1 ZINC000033149510 563964001 /nfs/dbraw/zinc/96/40/01/563964001.db2.gz VFZPQDCRSHJVJN-UHFFFAOYSA-N -1 3 346.437 4.001 50 0 EIAAHM Cc1cc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)ccc1[O-] ZINC000071388817 563964264 /nfs/dbraw/zinc/96/42/64/563964264.db2.gz UXJSMNGRJQIKAO-MRXNPFEDSA-N -1 3 341.426 4.325 50 0 EIAAHM Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c([O-])c1 ZINC000071419476 563964397 /nfs/dbraw/zinc/96/43/97/563964397.db2.gz JOEHMTRLKKWRAJ-INIZCTEOSA-N -1 3 341.426 4.325 50 0 EIAAHM [O-]c1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751698 563965178 /nfs/dbraw/zinc/96/51/78/563965178.db2.gz JELJQMFQTAUVQB-QGZVFWFLSA-N -1 3 338.234 4.273 50 0 EIAAHM O=C(c1cccc([O-])c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071759610 563965312 /nfs/dbraw/zinc/96/53/12/563965312.db2.gz PJWJCMJKTABNPD-MRXNPFEDSA-N -1 3 327.399 4.016 50 0 EIAAHM O=c1nc(-c2ccccn2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000046438358 563982427 /nfs/dbraw/zinc/98/24/27/563982427.db2.gz FOGWHLFDHMCPKP-UHFFFAOYSA-N -1 3 339.807 4.367 50 0 EIAAHM Cc1nc2cc(C(=O)Nc3ccccc3[O-])ccc2n1-c1ccccc1 ZINC000005266957 564001783 /nfs/dbraw/zinc/00/17/83/564001783.db2.gz VBNSLWDBGSAWBU-UHFFFAOYSA-N -1 3 343.386 4.292 50 0 EIAAHM Cc1nn(-c2ccccc2)c(-c2ccc(O)cc2[O-])c1-c1ccccn1 ZINC000006784757 564097702 /nfs/dbraw/zinc/09/77/02/564097702.db2.gz DZZLYQJVRKUILC-UHFFFAOYSA-N -1 3 343.386 4.321 50 0 EIAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C ZINC000007053068 564103905 /nfs/dbraw/zinc/10/39/05/564103905.db2.gz VSMQELXJEMQVEC-UHFFFAOYSA-N -1 3 345.342 4.003 50 0 EIAAHM O=Cc1ccc(Sc2n[n-]c(-c3ccc(Cl)cc3Cl)n2)o1 ZINC000014162091 564112254 /nfs/dbraw/zinc/11/22/54/564112254.db2.gz CCPJSXDYLKWUMS-UHFFFAOYSA-N -1 3 340.191 4.335 50 0 EIAAHM CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000095472341 564141297 /nfs/dbraw/zinc/14/12/97/564141297.db2.gz AMQXHKIDOSKESL-MRXNPFEDSA-N -1 3 345.468 4.305 50 0 EIAAHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)sc1Cl ZINC000263095234 564159506 /nfs/dbraw/zinc/15/95/06/564159506.db2.gz IHRWTIOLORVNBX-IEBDPFPHSA-N -1 3 334.268 4.273 50 0 EIAAHM O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 ZINC000004479412 210198369 /nfs/dbraw/zinc/19/83/69/210198369.db2.gz VQIIKFUUODCBRY-UHFFFAOYSA-N -1 3 340.191 4.357 50 0 EIAAHM C[C@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183913233 235260315 /nfs/dbraw/zinc/26/03/15/235260315.db2.gz FHKKVACZVMIPHX-CQSZACIVSA-N -1 3 339.391 4.203 50 0 EIAAHM COc1ccccc1OC1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000072126584 216017749 /nfs/dbraw/zinc/01/77/49/216017749.db2.gz HVANPPUCNNNXAO-UHFFFAOYSA-N -1 3 347.842 4.098 50 0 EIAAHM CS(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112675 211149066 /nfs/dbraw/zinc/14/90/66/211149066.db2.gz BWLIXVKWNQTDJE-UHFFFAOYSA-N -1 3 327.858 4.004 50 0 EIAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000007402058 210794668 /nfs/dbraw/zinc/79/46/68/210794668.db2.gz PLQCOBLGQIREQC-UHFFFAOYSA-N -1 3 335.734 4.160 50 0 EIAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc3ccccc32)N1 ZINC000000408722 563307727 /nfs/dbraw/zinc/30/77/27/563307727.db2.gz VZLUBLQTLIFDKP-VQTJNVASSA-N -1 3 342.398 4.009 50 0 biogenic EIAAHM COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000013126450 563689583 /nfs/dbraw/zinc/68/95/83/563689583.db2.gz PHSKGWBKURXITR-UHFFFAOYSA-N -1 3 347.374 4.217 50 0 EIAAHM O=C(Nc1ccccc1[O-])c1ccc2noc(-c3ccccc3)c2c1 ZINC000024760400 563875459 /nfs/dbraw/zinc/87/54/59/563875459.db2.gz BPIJGMISCRGLRG-UHFFFAOYSA-N -1 3 330.343 4.453 50 0 EIAAHM Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000030826527 563910827 /nfs/dbraw/zinc/91/08/27/563910827.db2.gz UVYCKLPXRPMYRA-UHFFFAOYSA-N -1 3 345.358 4.156 50 0 EIAAHM Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1[O-] ZINC000071721670 563964793 /nfs/dbraw/zinc/96/47/93/563964793.db2.gz KONBRAGMXSRMIT-KRWDZBQOSA-N -1 3 341.426 4.325 50 0 EIAAHM O=C([O-])c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000105820 563974072 /nfs/dbraw/zinc/97/40/72/563974072.db2.gz FWHZZAAMJICPRH-UHFFFAOYSA-N -1 3 349.264 4.402 50 0 EIAAHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000013330151 563999723 /nfs/dbraw/zinc/99/97/23/563999723.db2.gz DBRKIFMTFWNOLP-CQSZACIVSA-N -1 3 345.798 4.048 50 0 EIAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 ZINC000005643140 564006912 /nfs/dbraw/zinc/00/69/12/564006912.db2.gz UEZUJIKAUISELV-LRDDRELGSA-N -1 3 345.468 4.033 50 0 EIAAHM O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc([O-])c1 ZINC000000507489 564019746 /nfs/dbraw/zinc/01/97/46/564019746.db2.gz OACLREPQKGGQNB-UHFFFAOYSA-N -1 3 348.789 4.412 50 0 EIAAHM CC(C)CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000045751815 564028641 /nfs/dbraw/zinc/02/86/41/564028641.db2.gz BHBJPWYVJLMMRQ-UHFFFAOYSA-N -1 3 325.412 4.092 50 0 EIAAHM CCCCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000005867471 564056744 /nfs/dbraw/zinc/05/67/44/564056744.db2.gz GJNSCIWRZZAZTQ-UHFFFAOYSA-N -1 3 348.859 4.457 50 0 EIAAHM CCc1ccc([O-])c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000083820598 564063541 /nfs/dbraw/zinc/06/35/41/564063541.db2.gz MEPRZRJWPNAIHY-UHFFFAOYSA-N -1 3 341.426 4.189 50 0 EIAAHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1[O-] ZINC000013002624 564086328 /nfs/dbraw/zinc/08/63/28/564086328.db2.gz OXQVWGQVZIGOLT-UHFFFAOYSA-N -1 3 344.823 4.350 50 0 EIAAHM CCOc1ccc(-c2nc(-c3ccc(O)cc3[O-])cs2)cc1OC ZINC000006648953 564095304 /nfs/dbraw/zinc/09/53/04/564095304.db2.gz OLKJDKJCAQLQLM-UHFFFAOYSA-N -1 3 343.404 4.296 50 0 EIAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nonc1-c1ccccc1 ZINC000006756503 564097280 /nfs/dbraw/zinc/09/72/80/564097280.db2.gz WNYORVKBABCFFP-UHFFFAOYSA-N -1 3 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Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)cc1C ZINC000012475321 211392438 /nfs/dbraw/zinc/39/24/38/211392438.db2.gz JOPTZJLWKMYIKY-UHFFFAOYSA-N -1 3 341.798 4.305 50 0 EIAAHM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000011613860 211226043 /nfs/dbraw/zinc/22/60/43/211226043.db2.gz OGEYRHPYJLNGIW-UHFFFAOYSA-N -1 3 334.199 4.242 50 0 EIAAHM O=C([N-]c1nnc([C@H]2CCCO2)o1)c1sc2ccccc2c1Cl ZINC000010970670 211197015 /nfs/dbraw/zinc/19/70/15/211197015.db2.gz MGEOIJKKCJQCJR-SECBINFHSA-N -1 3 349.799 4.042 50 0 EIAAHM Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000096012460 218513852 /nfs/dbraw/zinc/51/38/52/218513852.db2.gz GJDSRRPQKANHIY-UHFFFAOYSA-N -1 3 328.755 4.261 50 0 EIAAHM O=c1cc(-c2ccccc2)nc(Nc2ccc(N3CCCCC3)cc2)[n-]1 ZINC000057732442 132201282 /nfs/dbraw/zinc/20/12/82/132201282.db2.gz XWEZDAJKJVSEBT-UHFFFAOYSA-N -1 3 346.434 4.171 50 0 EIAAHM COc1ccc(Cc2nnc([N-]c3c(C)cccc3C)o2)cc1OC ZINC000000100515 563226024 /nfs/dbraw/zinc/22/60/24/563226024.db2.gz UMXJVWCGAJJJMV-UHFFFAOYSA-N -1 3 339.395 4.038 50 0 EIAAHM COC(=O)c1sc(-c2cccs2)cc1[N-]C(=O)c1ccco1 ZINC000000117124 563232522 /nfs/dbraw/zinc/23/25/22/563232522.db2.gz PMFQDTADDHRUMH-UHFFFAOYSA-N -1 3 333.390 4.109 50 0 EIAAHM Cc1cccc(-n2c(=O)c3ccccc3nc2-c2ccccc2[O-])c1 ZINC000000349672 563289124 /nfs/dbraw/zinc/28/91/24/563289124.db2.gz ZFVCBEYYAXFXAY-UHFFFAOYSA-N -1 3 328.371 4.067 50 0 EIAAHM CCc1ccc2oc(C(=O)[N-]c3nnc(SC)s3)c(C)c2c1 ZINC000000615672 563358166 /nfs/dbraw/zinc/35/81/66/563358166.db2.gz FGHWLIRNRXUXKI-UHFFFAOYSA-N -1 3 333.438 4.129 50 0 EIAAHM Cc1cccc(CSc2nnc([N-]C(=O)c3cccs3)s2)c1 ZINC000002871352 563459030 /nfs/dbraw/zinc/45/90/30/563459030.db2.gz JIZFXVGRELTXRT-UHFFFAOYSA-N -1 3 347.490 4.453 50 0 EIAAHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1[O-] ZINC000014093068 563739339 /nfs/dbraw/zinc/73/93/39/563739339.db2.gz VMLYFQVTHWYDDG-UHFFFAOYSA-N -1 3 342.782 4.272 50 0 EIAAHM CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c([O-])c1 ZINC000015768854 563792145 /nfs/dbraw/zinc/79/21/45/563792145.db2.gz ONAJLRGEMFPPIK-GFCCVEGCSA-N -1 3 329.396 4.175 50 0 EIAAHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1 ZINC000017251888 563841688 /nfs/dbraw/zinc/84/16/88/563841688.db2.gz NPHIRSIMSGIIDK-UHFFFAOYSA-N -1 3 335.841 4.096 50 0 aggregator EIAAHM Cc1cccc(C)c1OCC(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC000027993984 563900827 /nfs/dbraw/zinc/90/08/27/563900827.db2.gz XYDNNRPAWGNFIN-UHFFFAOYSA-N -1 3 340.354 4.115 50 0 EIAAHM Cc1ccccc1OCc1n[n-]c(=S)n1-c1cccc(Cl)c1 ZINC000006533983 563929787 /nfs/dbraw/zinc/92/97/87/563929787.db2.gz IKEWVQLGYSPTAF-UHFFFAOYSA-N -1 3 331.828 4.097 50 0 EIAAHM Cc1ccc(C)c([C@H](C)NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC000060382104 563951791 /nfs/dbraw/zinc/95/17/91/563951791.db2.gz VENFSFNOBSIUBO-JTQLQIEISA-N -1 3 327.306 4.193 50 0 EIAAHM Cc1ccc(C)c([C@@H](C)NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC000060382103 563951820 /nfs/dbraw/zinc/95/18/20/563951820.db2.gz VENFSFNOBSIUBO-SNVBAGLBSA-N -1 3 327.306 4.193 50 0 EIAAHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1csc(-c2ccsc2)n1 ZINC000299742797 563963800 /nfs/dbraw/zinc/96/38/00/563963800.db2.gz KLZJDTDTUOAAAF-DFBGVHRSSA-N -1 3 348.493 4.089 50 0 EIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](C)CC)cc1 ZINC000005652720 564007078 /nfs/dbraw/zinc/00/70/78/564007078.db2.gz UGAMTMKRSAEPCS-AWEZNQCLSA-N -1 3 333.453 4.400 50 0 EIAAHM O=C(Nc1ccc(N2CCCCC2)cc1)c1c[n-]nc1-c1ccccc1 ZINC000008725467 564007109 /nfs/dbraw/zinc/00/71/09/564007109.db2.gz IFKFISOWGZJXBG-UHFFFAOYSA-N -1 3 346.434 4.319 50 0 EIAAHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000045621937 564028562 /nfs/dbraw/zinc/02/85/62/564028562.db2.gz OMFCRVINTPLCHF-UHFFFAOYSA-N -1 3 347.374 4.289 50 0 EIAAHM Cc1c2cccc(Cl)c2oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000013008397 564086487 /nfs/dbraw/zinc/08/64/87/564086487.db2.gz AKMYPJMMCOFAHJ-UHFFFAOYSA-N -1 3 333.800 4.376 50 0 EIAAHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000006627732 564094659 /nfs/dbraw/zinc/09/46/59/564094659.db2.gz ZVONHDMJJYONDM-LLVKDONJSA-N -1 3 338.300 4.487 50 0 EIAAHM Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3ccccc3F)on2)cc1 ZINC000006757696 564097290 /nfs/dbraw/zinc/09/72/90/564097290.db2.gz ZILGTTIXGAEONR-ZDUSSCGKSA-N -1 3 340.354 4.195 50 0 EIAAHM CCn1c2ccccc2c(CNCc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000006803631 564098310 /nfs/dbraw/zinc/09/83/10/564098310.db2.gz XROPJKIVNRNJSA-UHFFFAOYSA-N -1 3 342.826 4.303 50 0 EIAAHM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1ccccc1Cl ZINC000006894418 564100948 /nfs/dbraw/zinc/10/09/48/564100948.db2.gz PJDCHUDPBXIEJL-UHFFFAOYSA-N -1 3 328.799 4.118 50 0 EIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000007403975 564107925 /nfs/dbraw/zinc/10/79/25/564107925.db2.gz YHRLJVFNUPCEDU-UHFFFAOYSA-N -1 3 334.199 4.242 50 0 EIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000007405598 564107962 /nfs/dbraw/zinc/10/79/62/564107962.db2.gz URZNCERUHUNTRE-UHFFFAOYSA-N -1 3 327.808 4.232 50 0 EIAAHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000252488438 564119417 /nfs/dbraw/zinc/11/94/17/564119417.db2.gz IRVBVQLGWHHDQI-CYBMUJFWSA-N -1 3 349.308 4.110 50 0 EIAAHM O=S(=O)([N-]c1cc(Cc2ccccc2)ccc1O)C1=CCCCC1 ZINC000253426407 564131147 /nfs/dbraw/zinc/13/11/47/564131147.db2.gz ZUSGACYAVPQPOV-UHFFFAOYSA-N -1 3 343.448 4.183 50 0 EIAAHM Cc1ccc([O-])c(CNc2cc(C(C)(C)C)nn2-c2ccccc2)n1 ZINC000079073323 564137836 /nfs/dbraw/zinc/13/78/36/564137836.db2.gz ODQSOEVOTVAOOP-UHFFFAOYSA-N -1 3 336.439 4.191 50 0 EIAAHM CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000095472342 564141276 /nfs/dbraw/zinc/14/12/76/564141276.db2.gz AMQXHKIDOSKESL-INIZCTEOSA-N -1 3 345.468 4.305 50 0 EIAAHM Cc1cc([N-]C(=O)c2ccc(COc3c(C)cccc3C)o2)no1 ZINC000002786943 564152615 /nfs/dbraw/zinc/15/26/15/564152615.db2.gz WXJICZKHMPZWSL-UHFFFAOYSA-N -1 3 326.352 4.024 50 0 EIAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)c1ccc(F)cc1 ZINC000008230899 564163727 /nfs/dbraw/zinc/16/37/27/564163727.db2.gz YNCFRBNPROKTNB-SECBINFHSA-N -1 3 333.413 4.036 50 0 EIAAHM COc1ccc(Cl)c2c(=O)c(CN3CCCC[C@H]3C)c(C)[n-]c12 ZINC000008717471 564166843 /nfs/dbraw/zinc/16/68/43/564166843.db2.gz GHIHOVVBHIOILI-LLVKDONJSA-N -1 3 334.847 4.285 50 0 EIAAHM C[C@H]1CCCCN1Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000008747851 564167219 /nfs/dbraw/zinc/16/72/19/564167219.db2.gz MGMIYLSZUGFUKH-NSHDSACASA-N -1 3 345.493 4.088 50 0 EIAAHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000574823641 1045147888 /nfs/dbraw/zinc/14/78/88/1045147888.db2.gz PCRRCHMDMPQHNY-WQGACYEGSA-N -1 3 348.830 4.069 50 0 EIAAHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(OC)c1OC ZINC000004140775 210131429 /nfs/dbraw/zinc/13/14/29/210131429.db2.gz NISRURWXXKDTGV-VQHVLOKHSA-N -1 3 337.375 4.137 50 0 EIAAHM NC(=O)c1c([N-]c2nc3c(cccc3F)s2)sc2c1CCCC2 ZINC000004137678 210128913 /nfs/dbraw/zinc/12/89/13/210128913.db2.gz ISVCRFIVDJABDB-UHFFFAOYSA-N -1 3 347.440 4.218 50 0 EIAAHM Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccccc1[O-] ZINC000067756973 215204149 /nfs/dbraw/zinc/20/41/49/215204149.db2.gz QKQJQZAVIAVWKS-UHFFFAOYSA-N -1 3 348.402 4.126 50 0 EIAAHM O=c1oc2ccccc2cc1-c1csc(=NNc2ccccc2)[n-]1 ZINC000001814052 209796822 /nfs/dbraw/zinc/79/68/22/209796822.db2.gz GTJUCWGHYQSFFU-UHFFFAOYSA-N -1 3 335.388 4.356 50 0 EIAAHM Cc1c(CNCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000021025676 212200547 /nfs/dbraw/zinc/20/05/47/212200547.db2.gz XTXXXMRBMBCNJT-UHFFFAOYSA-N -1 3 348.446 4.391 50 0 EIAAHM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCc2ccccc2C1 ZINC000012391670 211367791 /nfs/dbraw/zinc/36/77/91/211367791.db2.gz OFGTYYROOWJJJE-GOSISDBHSA-N -1 3 340.810 4.005 50 0 EIAAHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)c1 ZINC000011914999 211267268 /nfs/dbraw/zinc/26/72/68/211267268.db2.gz SGEOTHDQPFVQMG-CQSZACIVSA-N -1 3 342.439 4.391 50 0 EIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)c2ccccc12 ZINC000011613857 211226341 /nfs/dbraw/zinc/22/63/41/211226341.db2.gz XPQAEQXSYQNBRJ-UHFFFAOYSA-N -1 3 345.395 4.178 50 0 EIAAHM CC(C)CNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000009531811 211100485 /nfs/dbraw/zinc/10/04/85/211100485.db2.gz CKYMNMPIWFKGSD-INIZCTEOSA-N -1 3 331.843 4.340 50 0 EIAAHM COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c([O-])c1 ZINC000009357340 211074238 /nfs/dbraw/zinc/07/42/38/211074238.db2.gz ISTKTDUPVOFTJT-UHFFFAOYSA-N -1 3 334.297 4.477 50 0 EIAAHM Cc1ccc(-c2cc([N-]C(=O)COc3cccc(C)c3C)on2)cc1 ZINC000008868471 211013351 /nfs/dbraw/zinc/01/33/51/211013351.db2.gz QCOVPGDXIWCPPT-UHFFFAOYSA-N -1 3 336.391 4.284 50 0 EIAAHM CCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1CCCCCC2 ZINC000004894645 210314193 /nfs/dbraw/zinc/31/41/93/210314193.db2.gz FMUVDYOLQQSLTB-UHFFFAOYSA-N -1 3 349.374 4.085 50 0 EIAAHM O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[n-]1 ZINC000000071026 563215382 /nfs/dbraw/zinc/21/53/82/563215382.db2.gz UKZLKDOQCWALRX-UHFFFAOYSA-N -1 3 341.164 4.099 50 0 EIAAHM Cc1oc2ccc([O-])cc2c1C(=O)c1ccc(Br)cc1 ZINC000000446183 563317413 /nfs/dbraw/zinc/31/74/13/563317413.db2.gz BQJQUXCHZULJOI-UHFFFAOYSA-N -1 3 331.165 4.440 50 0 EIAAHM O=S(=O)([N-]CCC1=CCCCC1)c1cc(Cl)ccc1Cl ZINC000000469014 563330084 /nfs/dbraw/zinc/33/00/84/563330084.db2.gz JUZTYQWOQLKMFR-UHFFFAOYSA-N -1 3 334.268 4.162 50 0 EIAAHM CC(C)(C)NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000000480377 563336068 /nfs/dbraw/zinc/33/60/68/563336068.db2.gz NGDHLKQXARAGOX-OAHLLOKOSA-N -1 3 331.843 4.482 50 0 EIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C)cc1C(C)C ZINC000001057050 563371470 /nfs/dbraw/zinc/37/14/70/563371470.db2.gz OPWWQLKMWVXYAB-UHFFFAOYSA-N -1 3 333.453 4.236 50 0 EIAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cccs1 ZINC000002846968 563455347 /nfs/dbraw/zinc/45/53/47/563455347.db2.gz IPGLKRIAANYMAV-UHFFFAOYSA-N -1 3 333.463 4.144 50 0 aggregator EIAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000005598789 563541802 /nfs/dbraw/zinc/54/18/02/563541802.db2.gz AOUUWYTZMVSURT-UHFFFAOYSA-N -1 3 329.343 4.123 50 0 EIAAHM Cc1cc(Cl)ccc1OCc1n[n-]c(=S)n1-c1ccccc1 ZINC000002549869 563587228 /nfs/dbraw/zinc/58/72/28/563587228.db2.gz JEURIIQPMNMJGR-UHFFFAOYSA-N -1 3 331.828 4.097 50 0 EIAAHM Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000012985974 563681906 /nfs/dbraw/zinc/68/19/06/563681906.db2.gz MKYPWEJNQKZQMS-UHFFFAOYSA-N -1 3 330.434 4.446 50 0 EIAAHM CC(=O)c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC000013692198 563712592 /nfs/dbraw/zinc/71/25/92/563712592.db2.gz WRKPVMYIQKRTHR-UHFFFAOYSA-N -1 3 340.766 4.049 50 0 EIAAHM CC(=O)c1cccc(NC(=O)c2cnc3c(Cl)cccc3c2[O-])c1 ZINC000013692198 563712596 /nfs/dbraw/zinc/71/25/96/563712596.db2.gz WRKPVMYIQKRTHR-UHFFFAOYSA-N -1 3 340.766 4.049 50 0 EIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000014256121 563756439 /nfs/dbraw/zinc/75/64/39/563756439.db2.gz BUVIRWWSBJACHB-AWEZNQCLSA-N -1 3 333.453 4.400 50 0 EIAAHM Cc1cc(C)cc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccccc3)no2)c1 ZINC000027740220 563899004 /nfs/dbraw/zinc/89/90/04/563899004.db2.gz SATQFJCISSIVCJ-HNNXBMFYSA-N -1 3 336.391 4.364 50 0 EIAAHM CCN(CC)c1nc2sc(C(=O)Nc3ccccc3[O-])cc2s1 ZINC000058356555 563943466 /nfs/dbraw/zinc/94/34/66/563943466.db2.gz JKGLLCAPKDDHIM-UHFFFAOYSA-N -1 3 347.465 4.162 50 0 EIAAHM Cc1cccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c1[O-] ZINC000071613976 563964590 /nfs/dbraw/zinc/96/45/90/563964590.db2.gz UIFXYDQINCMQOD-INIZCTEOSA-N -1 3 341.426 4.325 50 0 EIAAHM Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c([O-])c1 ZINC000071738462 563964898 /nfs/dbraw/zinc/96/48/98/563964898.db2.gz YRMLGOUIGSHBOO-KRWDZBQOSA-N -1 3 341.426 4.325 50 0 EIAAHM COc1ccc(-c2nonc2[N-]C(=O)c2oc3ccccc3c2C)cc1 ZINC000005485631 564004648 /nfs/dbraw/zinc/00/46/48/564004648.db2.gz UTIINIJCEQFGSI-UHFFFAOYSA-N -1 3 349.346 4.052 50 0 EIAAHM O=C([N-]c1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl ZINC000000789895 564034314 /nfs/dbraw/zinc/03/43/14/564034314.db2.gz UARLICAAVXOKAQ-UHFFFAOYSA-N -1 3 342.129 4.116 50 0 EIAAHM COc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1[O-] ZINC000075572402 564089582 /nfs/dbraw/zinc/08/95/82/564089582.db2.gz UEWMHEPUCKNVHT-UHFFFAOYSA-N -1 3 340.379 4.092 50 0 EIAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(-c2ccccc2F)o1 ZINC000006653523 564095469 /nfs/dbraw/zinc/09/54/69/564095469.db2.gz SPBULJXKQPPHPT-UHFFFAOYSA-N -1 3 329.356 4.067 50 0 EIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000007055977 564103979 /nfs/dbraw/zinc/10/39/79/564103979.db2.gz MCFUSCCHNBESSZ-UHFFFAOYSA-N -1 3 345.342 4.003 50 0 EIAAHM Cc1c([O-])ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000057536126 564154878 /nfs/dbraw/zinc/15/48/78/564154878.db2.gz ALNZQUPDMFFBHN-SFHVURJKSA-N -1 3 335.403 4.144 50 0 EIAAHM O=C1N(c2ccccc2)c2ccc3ccccc3c2[C@]1([O-])C(F)(F)F ZINC000003163919 564155523 /nfs/dbraw/zinc/15/55/23/564155523.db2.gz KDKRGFAUAWGRBG-GOSISDBHSA-N -1 3 343.304 4.268 50 0 EIAAHM CCOc1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000008739968 564167148 /nfs/dbraw/zinc/16/71/48/564167148.db2.gz RMPWZRITMISCQL-UHFFFAOYSA-N -1 3 340.379 4.290 50 0 biogenic EIAAHM O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3)C12 ZINC000102744016 219227499 /nfs/dbraw/zinc/22/74/99/219227499.db2.gz AHOFYAJZRCKICY-SJCJKPOMSA-N -1 3 348.362 4.292 50 0 EIAAHM Cc1c(CNCc2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025088 212200658 /nfs/dbraw/zinc/20/06/58/212200658.db2.gz JFOXEXGFYVNXKA-UHFFFAOYSA-N -1 3 348.446 4.391 50 0 EIAAHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(Br)c[nH]2)c1 ZINC000021006813 212199171 /nfs/dbraw/zinc/19/91/71/212199171.db2.gz CTJGIKMLXTVJKP-UHFFFAOYSA-N -1 3 337.217 4.033 50 0 EIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(C)(C)C ZINC000011613714 211226545 /nfs/dbraw/zinc/22/65/45/211226545.db2.gz VKENIUOYRGDYRY-UHFFFAOYSA-N -1 3 347.480 4.410 50 0 EIAAHM Cc1ccc2c(CNCc3cccc(Cl)c3)c(C(=O)[O-])n(C)c2c1 ZINC000009532778 211100314 /nfs/dbraw/zinc/10/03/14/211100314.db2.gz ZCQGYCGAJZRYAM-UHFFFAOYSA-N -1 3 342.826 4.128 50 0 EIAAHM C[C@@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C(=O)[O-] ZINC000183913212 534046438 /nfs/dbraw/zinc/04/64/38/534046438.db2.gz FHKKVACZVMIPHX-AWEZNQCLSA-N -1 3 339.391 4.203 50 0 EIAAHM CC(C)(C)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003464468 518558840 /nfs/dbraw/zinc/55/88/40/518558840.db2.gz 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327.767 4.259 50 0 EIAAHM Cc1noc(-c2ccc(O)cc2[O-])c1-c1ccc(Br)cc1 ZINC000006757795 564097264 /nfs/dbraw/zinc/09/72/64/564097264.db2.gz PEDJZSZHADDLMW-UHFFFAOYSA-N -1 3 346.180 4.491 50 0 EIAAHM CCOc1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000006831524 564099194 /nfs/dbraw/zinc/09/91/94/564099194.db2.gz ZJXGBVWHZHPEFH-UHFFFAOYSA-N -1 3 328.393 4.364 50 0 EIAAHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)c([O-])c2O1 ZINC000170626940 564110550 /nfs/dbraw/zinc/11/05/50/564110550.db2.gz MENAOTRHNHJPPC-NRFANRHFSA-N -1 3 341.451 4.068 50 0 EIAAHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000007996151 564162069 /nfs/dbraw/zinc/16/20/69/564162069.db2.gz JIAAMHPRUXLDMI-UHFFFAOYSA-N -1 3 342.449 4.100 50 0 EIAAHM CCc1ccc(OCC(=O)[N-]c2cc(-c3ccc(C)cc3)no2)cc1 ZINC000008612410 564166084 /nfs/dbraw/zinc/16/60/84/564166084.db2.gz FRLSKOPSGLCCCV-UHFFFAOYSA-N -1 3 336.391 4.230 50 0 aggregator EIAAHM O=c1[n-]c(-c2ccc(C(F)(F)F)cc2)nc2c3ccccc3oc21 ZINC000004558383 210220127 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ZINC000008392780 564035569 /nfs/dbraw/zinc/03/55/69/564035569.db2.gz CREAGJLBBIMPMT-UHFFFAOYSA-N -1 3 339.420 4.238 50 0 EIAAHM CC[C@@H]1CCCC[C@H]1N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000120885294 564060526 /nfs/dbraw/zinc/06/05/26/564060526.db2.gz PBFIIQNKTHMLBE-UKRRQHHQSA-N -1 3 339.439 4.070 50 0 EIAAHM Cc1cc(C)n(-c2nc3sc4c(c3c(=S)[n-]2)CC(C)(C)OC4)n1 ZINC000006062689 564073298 /nfs/dbraw/zinc/07/32/98/564073298.db2.gz LOXPOGVCHGFZHO-UHFFFAOYSA-N -1 3 346.481 4.008 50 0 EIAAHM O=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[O-] ZINC000669369923 564084016 /nfs/dbraw/zinc/08/40/16/564084016.db2.gz PEWFBHHKKPSQDS-UHFFFAOYSA-N -1 3 334.371 4.363 50 0 EIAAHM O=C([N-]c1ccc(F)cc1F)c1noc2c1CCc1sccc1-2 ZINC000006915942 564101320 /nfs/dbraw/zinc/10/13/20/564101320.db2.gz RYPNKXWLGLBVTQ-UHFFFAOYSA-N -1 3 332.331 4.032 50 0 EIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(C)C ZINC000007361131 564107471 /nfs/dbraw/zinc/10/74/71/564107471.db2.gz UNKYNLRFKYFWMS-UHFFFAOYSA-N -1 3 333.453 4.236 50 0 EIAAHM CC[C@@H](C)CN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000170625046 564110379 /nfs/dbraw/zinc/11/03/79/564110379.db2.gz BZFZSTHBWTXYTB-CYBMUJFWSA-N -1 3 341.480 4.130 50 0 EIAAHM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc(F)cc1Cl ZINC000042090623 564110712 /nfs/dbraw/zinc/11/07/12/564110712.db2.gz HNKKJSFNHNAWMZ-UHFFFAOYSA-N -1 3 333.775 4.250 50 0 EIAAHM COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1[O-] ZINC000170642088 564118955 /nfs/dbraw/zinc/11/89/55/564118955.db2.gz RHYLZNMFRSRZNO-QGZVFWFLSA-N -1 3 325.408 4.158 50 0 EIAAHM CC(C)c1ncc(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000095430953 564140365 /nfs/dbraw/zinc/14/03/65/564140365.db2.gz PZYSTQIABTZBEU-UHFFFAOYSA-N -1 3 336.467 4.099 50 0 EIAAHM Cc1cccc([O-])c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000095983422 564143777 /nfs/dbraw/zinc/14/37/77/564143777.db2.gz XCDITAOBOBUQFQ-UHFFFAOYSA-N -1 3 342.395 4.300 50 0 EIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000008195584 564163515 /nfs/dbraw/zinc/16/35/15/564163515.db2.gz 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336.627 4.448 50 0 EIAAHM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1[O-] ZINC000001886753 563415632 /nfs/dbraw/zinc/41/56/32/563415632.db2.gz KSJDITCHRTYNTC-UHFFFAOYSA-N -1 3 340.206 4.497 50 0 EIAAHM Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)ccc3[O-])sc2n1 ZINC000001917309 563416499 /nfs/dbraw/zinc/41/64/99/563416499.db2.gz LTXZQAWURWPZIB-UHFFFAOYSA-N -1 3 347.827 4.107 50 0 EIAAHM Cc1oc2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c2c1C ZINC000005206260 563522895 /nfs/dbraw/zinc/52/28/95/563522895.db2.gz YSZNPGHZINERDU-UHFFFAOYSA-N -1 3 330.347 4.013 50 0 EIAAHM CCCCc1ccc(NC(=O)C(=S)[N-]Cc2ccccc2)cc1 ZINC000002534495 563640236 /nfs/dbraw/zinc/64/02/36/563640236.db2.gz UFISJYXCCAIXMN-UHFFFAOYSA-N -1 3 326.465 4.085 50 0 EIAAHM [O-]c1cccc2ccc(/C=C/c3cc4c(cc3Cl)OCO4)nc12 ZINC000015015690 563772421 /nfs/dbraw/zinc/77/24/21/563772421.db2.gz ZOZYGAUGABSNNJ-FNORWQNLSA-N -1 3 325.751 4.493 50 0 EIAAHM COc1cccc(-c2noc([N-]c3ccc(C)c(C)c3)n2)c1OC ZINC000071928103 563805551 /nfs/dbraw/zinc/80/55/51/563805551.db2.gz 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