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(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000009569387 132234827 /nfs/dbraw/zinc/23/48/27/132234827.db2.gz KEJOVPVHAFXSID-UHFFFAOYSA-N -1 1 448.569 5.295 50 0 IKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2ccccc2c1 ZINC000003306081 132263560 /nfs/dbraw/zinc/26/35/60/132263560.db2.gz WOJXZQBFKKHQJV-UHFFFAOYSA-N -1 1 434.483 5.650 50 0 IKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000041154416 519838864 /nfs/dbraw/zinc/83/88/64/519838864.db2.gz YNLNGNHXCKYVMY-UHFFFAOYSA-N -1 1 449.981 5.097 50 0 IKAAMM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCCCC1 ZINC000022130638 520236597 /nfs/dbraw/zinc/23/65/97/520236597.db2.gz RTSYBQURJCTBPV-UHFFFAOYSA-N -1 1 440.487 5.415 50 0 IKAAMM CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000017270017 520254207 /nfs/dbraw/zinc/25/42/07/520254207.db2.gz YMHFVAKHESCKGU-UHFFFAOYSA-N -1 1 432.545 6.490 50 0 IKAAMM CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020594902 521283546 /nfs/dbraw/zinc/28/35/46/521283546.db2.gz ZCDWXVVBOPFKHH-UHFFFAOYSA-N -1 1 439.606 5.639 50 0 IKAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1)[nH]c1c2C(=O)CCC1 ZINC000020990408 523845342 /nfs/dbraw/zinc/84/53/42/523845342.db2.gz DFMUXCIXRKZAST-UHFFFAOYSA-N -1 1 436.455 5.069 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000012918487 524115249 /nfs/dbraw/zinc/11/52/49/524115249.db2.gz VDKAHOSBTDFDLQ-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000021784323 524205841 /nfs/dbraw/zinc/20/58/41/524205841.db2.gz PIVVUKGRXHXBKF-KRWDZBQOSA-N -1 1 425.941 5.219 50 0 IKAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccccc2OC(C)C)CC(=O)N3)cc1 ZINC000021784496 524648520 /nfs/dbraw/zinc/64/85/20/524648520.db2.gz CGXCBOOTECAOMJ-SFHVURJKSA-N -1 1 435.549 5.044 50 0 IKAAMM Cc1cc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)ccc1Br ZINC000021034137 525287869 /nfs/dbraw/zinc/28/78/69/525287869.db2.gz ASEAUKXARKTHQV-UHFFFAOYSA-N -1 1 447.354 5.399 50 0 IKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1CCc1nc2ccccc2n1C ZINC000021357184 525785536 /nfs/dbraw/zinc/78/55/36/525785536.db2.gz KBYSYZTZUYJILT-UHFFFAOYSA-N -1 1 439.968 5.121 50 0 IKAAMM O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000012798457 526652168 /nfs/dbraw/zinc/65/21/68/526652168.db2.gz MQWRKATZHDWWHY-UHFFFAOYSA-N -1 1 425.937 5.509 50 0 IKAAMM O=C1S/C(=C\c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000012351760 527103362 /nfs/dbraw/zinc/10/33/62/527103362.db2.gz BUUYDFWRTGCDNM-UUASQNMZSA-N -1 1 442.693 5.184 50 0 IKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(Cc2ccccc2)cc1 ZINC000017189680 527141425 /nfs/dbraw/zinc/14/14/25/527141425.db2.gz GQDNXPIZELABCF-UHFFFAOYSA-N -1 1 436.536 6.512 50 0 IKAAMM Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)c2)o1 ZINC000021032399 527216351 /nfs/dbraw/zinc/21/63/51/527216351.db2.gz DAGDSCYZJVIJBX-UHFFFAOYSA-N -1 1 430.835 5.431 50 0 IKAAMM O=C(Nc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012572963 527342881 /nfs/dbraw/zinc/34/28/81/527342881.db2.gz JKNHQPORZNMTDJ-UHFFFAOYSA-N -1 1 436.320 5.438 50 0 IKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccsc1 ZINC000022593870 527371950 /nfs/dbraw/zinc/37/19/50/527371950.db2.gz KYJIGKQUOYLLSE-UHFFFAOYSA-N -1 1 440.518 5.116 50 0 IKAAMM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000000666701 555528618 /nfs/dbraw/zinc/52/86/18/555528618.db2.gz KFRFLJNVXDSCTA-UHFFFAOYSA-N -1 1 429.259 5.768 50 0 IKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000000674619 555533424 /nfs/dbraw/zinc/53/34/24/555533424.db2.gz VVMPYOUUBIRYLT-UHFFFAOYSA-N -1 1 436.577 5.654 50 0 IKAAMM C[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c2C1 ZINC000000717498 555549118 /nfs/dbraw/zinc/54/91/18/555549118.db2.gz DNFAENMWYCRFCS-AWEZNQCLSA-N -1 1 425.937 6.165 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1 ZINC000000752710 555553502 /nfs/dbraw/zinc/55/35/02/555553502.db2.gz HFAONBQKKWOWOS-UHFFFAOYSA-N -1 1 447.556 6.104 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1ccc2cccc3c2c1CC3 ZINC000000971769 555591526 /nfs/dbraw/zinc/59/15/26/555591526.db2.gz KCCVNTQXZJQDPH-UHFFFAOYSA-N -1 1 425.513 5.054 50 0 IKAAMM O=S(=O)([N-]c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1cccc(Cl)c1 ZINC000001023325 555604031 /nfs/dbraw/zinc/60/40/31/555604031.db2.gz NDNOIUZZXOGXEH-UHFFFAOYSA-N -1 1 443.830 5.832 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001049436 555612477 /nfs/dbraw/zinc/61/24/77/555612477.db2.gz SPUQSCRFPWYDCM-UHFFFAOYSA-N -1 1 434.439 5.067 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2ccccc2Br)cc1 ZINC000001125884 555640758 /nfs/dbraw/zinc/64/07/58/555640758.db2.gz SUZKVWYFHNXGJJ-UHFFFAOYSA-N -1 1 431.355 5.170 50 0 IKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001128778 555643086 /nfs/dbraw/zinc/64/30/86/555643086.db2.gz REGILILZAAWJEK-UHFFFAOYSA-N -1 1 435.332 5.355 50 0 IKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)c2ccc(Br)cc2)ccc1C ZINC000001196863 555677313 /nfs/dbraw/zinc/67/73/13/555677313.db2.gz FEVNDEMWYSAJOZ-UHFFFAOYSA-N -1 1 444.350 5.098 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001207070 555680901 /nfs/dbraw/zinc/68/09/01/555680901.db2.gz BIJMTDWAVQDZGA-UHFFFAOYSA-N -1 1 430.847 6.366 50 0 IKAAMM COc1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1OC ZINC000001208160 555681289 /nfs/dbraw/zinc/68/12/89/555681289.db2.gz PANHHDGUKMHYRU-UHFFFAOYSA-N -1 1 438.867 5.052 50 0 IKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000002158021 555750558 /nfs/dbraw/zinc/75/05/58/555750558.db2.gz ZESDSUFNJBVUNX-UHFFFAOYSA-N -1 1 438.176 5.832 50 0 IKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)C ZINC000002484247 555783931 /nfs/dbraw/zinc/78/39/31/555783931.db2.gz CJHJXUIJCTWCQG-UHFFFAOYSA-N -1 1 429.538 5.405 50 0 IKAAMM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000002502145 555784586 /nfs/dbraw/zinc/78/45/86/555784586.db2.gz CNFAPVOWCWDDTI-UHFFFAOYSA-N -1 1 437.517 5.605 50 0 IKAAMM CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000002881064 555855215 /nfs/dbraw/zinc/85/52/15/555855215.db2.gz PEVKBHFZUPHTTA-UHFFFAOYSA-N -1 1 440.590 5.387 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1 ZINC000002883705 555856959 /nfs/dbraw/zinc/85/69/59/555856959.db2.gz PZNAIIPTRCDANS-UHFFFAOYSA-N -1 1 432.904 5.149 50 0 IKAAMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000002886770 555858313 /nfs/dbraw/zinc/85/83/13/555858313.db2.gz JFFWWKRLIFHKJX-UHFFFAOYSA-N -1 1 446.981 5.423 50 0 IKAAMM Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000002890041 555859397 /nfs/dbraw/zinc/85/93/97/555859397.db2.gz OQFIPAIYXFPOMF-UHFFFAOYSA-N -1 1 442.540 5.715 50 0 IKAAMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000002958623 555867337 /nfs/dbraw/zinc/86/73/37/555867337.db2.gz KHDGYNGNTRUHKH-OVCLIPMQSA-N -1 1 440.771 6.011 50 0 IKAAMM CC(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)(c1ccccc1)c1ccccc1 ZINC000002972479 555869698 /nfs/dbraw/zinc/86/96/98/555869698.db2.gz JHISJAFSOVXCOO-UHFFFAOYSA-N -1 1 434.495 6.145 50 0 IKAAMM Cc1ccc(C(=O)Sc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006150551 556078248 /nfs/dbraw/zinc/07/82/48/556078248.db2.gz MWAFWDSRCAVCKO-UHFFFAOYSA-N -1 1 448.569 5.459 50 0 IKAAMM CC[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000006197449 556080185 /nfs/dbraw/zinc/08/01/85/556080185.db2.gz NEKIJDOCELLVQH-HHHXNRCGSA-N -1 1 430.617 6.513 50 0 IKAAMM CC[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000006197576 556080224 /nfs/dbraw/zinc/08/02/24/556080224.db2.gz NEKIJDOCELLVQH-MHZLTWQESA-N -1 1 430.617 6.513 50 0 IKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)c1 ZINC000006269537 556083266 /nfs/dbraw/zinc/08/32/66/556083266.db2.gz QVKQMEHYIQURRY-UHFFFAOYSA-N -1 1 432.904 5.149 50 0 IKAAMM O=C(Nc1ccccc1-c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000006270627 556083364 /nfs/dbraw/zinc/08/33/64/556083364.db2.gz HIDXZLMOXHHXTB-UHFFFAOYSA-N -1 1 428.513 5.407 50 0 IKAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)c1C ZINC000006768359 556103553 /nfs/dbraw/zinc/10/35/53/556103553.db2.gz MMHBJCHKONHHQO-UHFFFAOYSA-N -1 1 442.625 5.274 50 0 IKAAMM CCCCCCc1cc2cc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)oc2cc1[O-] ZINC000002688225 556119301 /nfs/dbraw/zinc/11/93/01/556119301.db2.gz HRLXHPNUQCDUBH-UHFFFAOYSA-N -1 1 438.904 5.247 50 0 IKAAMM O=C([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002800495 556142414 /nfs/dbraw/zinc/14/24/14/556142414.db2.gz BNKBIMBQIWXFBJ-UHFFFAOYSA-N -1 1 448.697 5.194 50 0 IKAAMM Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)[N-]C1=O ZINC000013756791 556300836 /nfs/dbraw/zinc/30/08/36/556300836.db2.gz FPYPMIFTPVAAGV-DWFNGTSHSA-N -1 1 441.577 6.803 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679518 556305852 /nfs/dbraw/zinc/30/58/52/556305852.db2.gz ZTLNSYKCXVKNTN-QFIPXVFZSA-N -1 1 447.878 5.250 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccs2)cc1 ZINC000009679596 556306289 /nfs/dbraw/zinc/30/62/89/556306289.db2.gz BCWAAQWPHPENFX-FQEVSTJZSA-N -1 1 435.530 5.126 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccs2)cc1 ZINC000009679596 556306295 /nfs/dbraw/zinc/30/62/95/556306295.db2.gz BCWAAQWPHPENFX-FQEVSTJZSA-N -1 1 435.530 5.126 50 0 IKAAMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000013898603 556330530 /nfs/dbraw/zinc/33/05/30/556330530.db2.gz FHMOOGJAFONTAA-CHHVJCJISA-N -1 1 426.346 5.910 50 0 IKAAMM Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000013936076 556336060 /nfs/dbraw/zinc/33/60/60/556336060.db2.gz MAWUNROUVDIEDC-UHFFFAOYSA-N -1 1 431.970 5.258 50 0 IKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NC2CCCC2)cc1 ZINC000013937411 556336977 /nfs/dbraw/zinc/33/69/77/556336977.db2.gz DIWKWQYAKDPBST-UHFFFAOYSA-N -1 1 444.409 5.023 50 0 IKAAMM CCc1cc2c(COC(=O)c3c4ccccc4nc4c3CCCCC4)cc(=O)oc2cc1[O-] ZINC000013038188 556443793 /nfs/dbraw/zinc/44/37/93/556443793.db2.gz PKZADTVQLOUJNN-UHFFFAOYSA-N -1 1 443.499 5.235 50 0 IKAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2oc(SCc3ccccc3)nc2c1 ZINC000013149007 556490715 /nfs/dbraw/zinc/49/07/15/556490715.db2.gz VWJKJTBHVUIJIH-UHFFFAOYSA-N -1 1 430.938 5.574 50 0 IKAAMM COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000013576861 556526354 /nfs/dbraw/zinc/52/63/54/556526354.db2.gz BDBFJQDWNODXKG-UHFFFAOYSA-N -1 1 427.504 5.303 50 0 IKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1sc2ccccc2c1Cl ZINC000015799360 556552367 /nfs/dbraw/zinc/55/23/67/556552367.db2.gz PTPGYORPXPWKSJ-UHFFFAOYSA-N -1 1 436.945 6.789 50 0 IKAAMM S=c1[n-]nc(C2CC2)n1CCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000072307738 556562022 /nfs/dbraw/zinc/56/20/22/556562022.db2.gz NCZSRZSDMNKXTF-UHFFFAOYSA-N -1 1 428.974 5.255 50 0 IKAAMM CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000016448351 556608502 /nfs/dbraw/zinc/60/85/02/556608502.db2.gz DWRBRNFAGNCEQJ-UHFFFAOYSA-N -1 1 436.577 5.536 50 0 IKAAMM CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000016956498 556650441 /nfs/dbraw/zinc/65/04/41/556650441.db2.gz IHRGYHRDNJEIJP-ZHZULCJRSA-N -1 1 435.574 6.047 50 0 IKAAMM Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000016995516 556652400 /nfs/dbraw/zinc/65/24/00/556652400.db2.gz ADPMKYRATMXDRA-MTJSOVHGSA-N -1 1 449.601 6.212 50 0 IKAAMM Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000017015928 556653055 /nfs/dbraw/zinc/65/30/55/556653055.db2.gz KBJAQLMPKAXCQQ-NDENLUEZSA-N -1 1 435.574 5.964 50 0 IKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1OC ZINC000011866290 556666219 /nfs/dbraw/zinc/66/62/19/556666219.db2.gz YUBGFHAJLAXCRB-UHFFFAOYSA-N -1 1 428.488 5.421 50 0 IKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000011866309 556666259 /nfs/dbraw/zinc/66/62/59/556666259.db2.gz SRANRZIGNQKVDK-UHFFFAOYSA-N -1 1 443.503 5.428 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000033025826 556701648 /nfs/dbraw/zinc/70/16/48/556701648.db2.gz QAMVVYLBDFNGID-UHFFFAOYSA-N -1 1 448.563 6.823 50 0 IKAAMM CCC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 ZINC000003389456 556814102 /nfs/dbraw/zinc/81/41/02/556814102.db2.gz QMMHDUZGVSVXRQ-UHFFFAOYSA-N -1 1 437.561 6.170 50 0 IKAAMM Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)NC4CCCC4)cc3)cc2)c1 ZINC000033130268 556870146 /nfs/dbraw/zinc/87/01/46/556870146.db2.gz VYDGMNAMURGWGE-UHFFFAOYSA-N -1 1 434.561 5.135 50 0 IKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169232 556880553 /nfs/dbraw/zinc/88/05/53/556880553.db2.gz WAZOJRIYKDDOQE-UHFFFAOYSA-N -1 1 442.993 6.370 50 0 IKAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)c1 ZINC000033169098 556881358 /nfs/dbraw/zinc/88/13/58/556881358.db2.gz CPKWNDQKBVNDPZ-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000033173786 556883952 /nfs/dbraw/zinc/88/39/52/556883952.db2.gz KTMVDNYUCHMVEH-UHFFFAOYSA-N -1 1 435.880 5.228 50 0 IKAAMM Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000033173785 556883964 /nfs/dbraw/zinc/88/39/64/556883964.db2.gz BYXBHSJOQNUPAB-UHFFFAOYSA-N -1 1 435.880 5.228 50 0 IKAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2cccc(C)c2)n1 ZINC000033170083 556885429 /nfs/dbraw/zinc/88/54/29/556885429.db2.gz XLRPOYWMRUFTTI-UHFFFAOYSA-N -1 1 448.573 5.320 50 0 IKAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2sc1=O ZINC000046017473 557020438 /nfs/dbraw/zinc/02/04/38/557020438.db2.gz LKFROLSJVSQSDW-UHFFFAOYSA-N -1 1 430.595 5.322 50 0 IKAAMM Cc1cccc(Oc2ccc(NC(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)cc2)c1 ZINC000010832550 557033281 /nfs/dbraw/zinc/03/32/81/557033281.db2.gz KTXUIJDLKDYUTK-UHFFFAOYSA-N -1 1 444.560 6.046 50 0 IKAAMM CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000017196808 557039895 /nfs/dbraw/zinc/03/98/95/557039895.db2.gz MEMHDOVIZZTWSV-WQRHYEAKSA-N -1 1 441.965 5.921 50 0 IKAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC000033275363 557053955 /nfs/dbraw/zinc/05/39/55/557053955.db2.gz FGQRFGSJJKUVFO-UHFFFAOYSA-N -1 1 433.577 5.259 50 0 IKAAMM Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000032948340 557056095 /nfs/dbraw/zinc/05/60/95/557056095.db2.gz YJRNMHKJWIWJSM-UHFFFAOYSA-N -1 1 431.995 5.759 50 0 IKAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)c(C)c1 ZINC000033290006 557071793 /nfs/dbraw/zinc/07/17/93/557071793.db2.gz UWIJYRUHUNBFGU-UHFFFAOYSA-N -1 1 435.640 5.444 50 0 IKAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)s2)cs1 ZINC000033308415 557088947 /nfs/dbraw/zinc/08/89/47/557088947.db2.gz UWUPHHJLKNNVCT-UHFFFAOYSA-N -1 1 434.486 5.188 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000011358334 557110954 /nfs/dbraw/zinc/11/09/54/557110954.db2.gz GDMCAEUDPFTYNZ-UHFFFAOYSA-N -1 1 435.578 5.295 50 0 IKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073045 557233267 /nfs/dbraw/zinc/23/32/67/557233267.db2.gz XCIBQLZNHUIDPG-UHFFFAOYSA-N -1 1 436.293 5.611 50 0 IKAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018085239 557235937 /nfs/dbraw/zinc/23/59/37/557235937.db2.gz CZUDJILWSYVQCR-ZLNRFVROSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1ccc(C(=O)Sc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000000825916 557268760 /nfs/dbraw/zinc/26/87/60/557268760.db2.gz ZHTTVEJDTVLBHT-UHFFFAOYSA-N -1 1 448.569 5.459 50 0 IKAAMM COc1ccc(-c2nsc([N-]C(=O)c3sc4cc(C)ccc4c3Cl)n2)cc1OC ZINC000027794517 557274842 /nfs/dbraw/zinc/27/48/42/557274842.db2.gz YSXQIQCIFFBHGB-UHFFFAOYSA-N -1 1 445.953 5.651 50 0 IKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000000834414 557329266 /nfs/dbraw/zinc/32/92/66/557329266.db2.gz DSFQNOSQYVRWMF-UHFFFAOYSA-N -1 1 435.545 6.195 50 0 aggregator IKAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)c1 ZINC000033289257 557332296 /nfs/dbraw/zinc/33/22/96/557332296.db2.gz VVCPHOJWVWTQEB-UHFFFAOYSA-N -1 1 444.965 5.735 50 0 IKAAMM [O-]c1c(-c2ccccn2)cc2ccccc2c1-c1c(O)c(-c2ccccn2)cc2ccccc21 ZINC000107502127 557336894 /nfs/dbraw/zinc/33/68/94/557336894.db2.gz XSBMCSCMQZOZOJ-UHFFFAOYSA-N -1 1 440.502 7.195 50 0 IKAAMM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102743259 557376602 /nfs/dbraw/zinc/37/66/02/557376602.db2.gz BPCKCISMEYBLFD-WXFUMESZSA-N -1 1 426.516 5.035 50 0 IKAAMM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2cccc(Cl)c2)cc(=O)[n-]1 ZINC000045924669 557549904 /nfs/dbraw/zinc/54/99/04/557549904.db2.gz PHILEHNXSADJFH-UHFFFAOYSA-N -1 1 444.343 6.412 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000003241510 562933272 /nfs/dbraw/zinc/93/32/72/562933272.db2.gz CHZFJLOPJJNRIH-UHFFFAOYSA-N -1 1 449.557 5.172 50 0 IKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3Cl)c2C(=O)C1 ZINC000008606280 562956912 /nfs/dbraw/zinc/95/69/12/562956912.db2.gz DAMBNYUXAOFCSR-UHFFFAOYSA-N -1 1 438.332 5.696 50 0 IKAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccccc2)n1 ZINC000008612071 562958971 /nfs/dbraw/zinc/95/89/71/562958971.db2.gz YAGSYYLNDPLWNU-UHFFFAOYSA-N -1 1 437.908 5.472 50 0 IKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000009358460 562969547 /nfs/dbraw/zinc/96/95/47/562969547.db2.gz GSNYPQINNIPFKR-UHFFFAOYSA-N -1 1 445.331 5.651 50 0 aggregator IKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057141 568642481 /nfs/dbraw/zinc/64/24/81/568642481.db2.gz JFCKRHPBVAPAFM-IBGZPJMESA-N -1 1 449.576 5.024 50 0 IKAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cc(Br)ccc1Cl ZINC000000989645 568649095 /nfs/dbraw/zinc/64/90/95/568649095.db2.gz KBRXRYULRRQXAR-UHFFFAOYSA-N -1 1 443.684 5.869 50 0 IKAAMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)ccc2s1 ZINC000001100393 568658005 /nfs/dbraw/zinc/65/80/05/568658005.db2.gz YLFNAUNHXQIJQQ-UHFFFAOYSA-N -1 1 430.938 5.851 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000006023355 568740241 /nfs/dbraw/zinc/74/02/41/568740241.db2.gz NPEUXSMVPWBZJU-GOSISDBHSA-N -1 1 439.621 6.682 50 0 IKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000014257274 568787071 /nfs/dbraw/zinc/78/70/71/568787071.db2.gz ILIPUTVKNZRMPU-UHFFFAOYSA-N -1 1 448.182 5.288 50 0 IKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)ccc1OC(C)C ZINC000085411781 568817986 /nfs/dbraw/zinc/81/79/86/568817986.db2.gz QNMCPILMAIXJHZ-NRFANRHFSA-N -1 1 429.586 5.754 50 0 IKAAMM COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1OCc1ccccc1F ZINC000085412232 568818053 /nfs/dbraw/zinc/81/80/53/568818053.db2.gz UMXKUYBTERFLHI-NRFANRHFSA-N -1 1 441.528 5.370 50 0 IKAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)ccc2s1 ZINC000015870412 568851641 /nfs/dbraw/zinc/85/16/41/568851641.db2.gz ZYQGZYDIZUAPGA-UHFFFAOYSA-N -1 1 431.583 5.034 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1C ZINC000015870251 568851749 /nfs/dbraw/zinc/85/17/49/568851749.db2.gz VMYXSDMXHMPCBO-UHFFFAOYSA-N -1 1 443.594 5.233 50 0 IKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000015870487 568852000 /nfs/dbraw/zinc/85/20/00/568852000.db2.gz BWIUDHIKPWCJLY-UHFFFAOYSA-N -1 1 439.968 5.296 50 0 IKAAMM Cc1ccc(C(=O)Sc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000006406869 568894463 /nfs/dbraw/zinc/89/44/63/568894463.db2.gz IDWJSIHSUORTGI-UHFFFAOYSA-N -1 1 434.542 5.150 50 0 IKAAMM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668135 568943181 /nfs/dbraw/zinc/94/31/81/568943181.db2.gz UZLQWFNPYIALFG-UHFFFAOYSA-N -1 1 445.516 5.203 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC(C)C)sc3c2)cc1Cl ZINC000064747838 568950496 /nfs/dbraw/zinc/95/04/96/568950496.db2.gz QBZCPUWZVRPRSG-UHFFFAOYSA-N -1 1 428.988 5.260 50 0 IKAAMM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000064862330 568974035 /nfs/dbraw/zinc/97/40/35/568974035.db2.gz KVHJTYOGPGLBGF-UHFFFAOYSA-N -1 1 449.576 5.045 50 0 IKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000064948566 568994395 /nfs/dbraw/zinc/99/43/95/568994395.db2.gz XWIFMKRRNBYXHL-UHFFFAOYSA-N -1 1 445.500 5.567 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1cc(Br)ccc1Cl ZINC000036360858 569086675 /nfs/dbraw/zinc/08/66/75/569086675.db2.gz XADZDUSEWSYETK-UHFFFAOYSA-N -1 1 444.672 5.264 50 0 IKAAMM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000065060294 569095996 /nfs/dbraw/zinc/09/59/96/569095996.db2.gz DTVOEHSEMXKBLQ-UHFFFAOYSA-N -1 1 426.922 5.111 50 0 IKAAMM CCOc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)c(C)o2)cc1OC ZINC000016841315 569163244 /nfs/dbraw/zinc/16/32/44/569163244.db2.gz GIFYBWWQQUTKNS-UHFFFAOYSA-N -1 1 449.532 5.512 50 0 IKAAMM CCOc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c(C)o1 ZINC000016841821 569163387 /nfs/dbraw/zinc/16/33/87/569163387.db2.gz FOYDPHLIZPRKFF-UHFFFAOYSA-N -1 1 447.560 5.736 50 0 IKAAMM CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(F)cc2Cl)cc1 ZINC000027527516 569263235 /nfs/dbraw/zinc/26/32/35/569263235.db2.gz FVPOZDZDAYZBLG-UHFFFAOYSA-N -1 1 449.913 5.537 50 0 IKAAMM CCCCCCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 ZINC000002291064 569267910 /nfs/dbraw/zinc/26/79/10/569267910.db2.gz YHINXVIKSAWBES-UHFFFAOYSA-N -1 1 443.341 5.302 50 0 IKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])n1 ZINC000002432973 569303697 /nfs/dbraw/zinc/30/36/97/569303697.db2.gz ODXRBGGTZKLXAG-UHFFFAOYSA-N -1 1 438.314 5.984 50 0 IKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc3)n2)c(C)c1 ZINC000013360682 569314041 /nfs/dbraw/zinc/31/40/41/569314041.db2.gz YBCARJPYXOAHOJ-UHFFFAOYSA-N -1 1 438.936 6.080 50 0 IKAAMM O=C([O-])c1cccc2cccc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)c21 ZINC000020312599 569360004 /nfs/dbraw/zinc/36/00/04/569360004.db2.gz FHKAHTBVFUHDIC-UHFFFAOYSA-N -1 1 430.696 5.299 50 0 IKAAMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000095466270 569370941 /nfs/dbraw/zinc/37/09/41/569370941.db2.gz AWVBQSKVPMYOOO-UHFFFAOYSA-N -1 1 432.561 5.109 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117407 569384093 /nfs/dbraw/zinc/38/40/93/569384093.db2.gz WYKUGNAGJSYPGW-BBRMVZONSA-N -1 1 441.475 5.091 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117409 569384165 /nfs/dbraw/zinc/38/41/65/569384165.db2.gz WYKUGNAGJSYPGW-XJKSGUPXSA-N -1 1 441.475 5.091 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117817 569384205 /nfs/dbraw/zinc/38/42/05/569384205.db2.gz PQAJZABVZXRVIX-BLLLJJGKSA-N -1 1 426.369 5.499 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)OCc1ccc2ccccc2c1 ZINC000096564464 569401299 /nfs/dbraw/zinc/40/12/99/569401299.db2.gz GCEWLJOFKHUVLA-UHFFFAOYSA-N -1 1 444.874 6.756 50 0 IKAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2s1 ZINC000002637427 569413124 /nfs/dbraw/zinc/41/31/24/569413124.db2.gz PYQFTBANKHWGQO-UHFFFAOYSA-N -1 1 438.905 5.491 50 0 IKAAMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000028781600 569420720 /nfs/dbraw/zinc/42/07/20/569420720.db2.gz UDKPNCSBWGMYBF-UHFFFAOYSA-N -1 1 434.311 5.051 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000030391460 569441984 /nfs/dbraw/zinc/44/19/84/569441984.db2.gz IPNFHQJRVGBWFE-UHFFFAOYSA-N -1 1 448.523 5.273 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000031317586 569455796 /nfs/dbraw/zinc/45/57/96/569455796.db2.gz CDCFWYLFQXMULO-UHFFFAOYSA-N -1 1 446.498 5.126 50 0 IKAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067293333 569467783 /nfs/dbraw/zinc/46/77/83/569467783.db2.gz XGSLJXSCGQYHOJ-MEFGMAGPSA-N -1 1 425.366 5.037 50 0 IKAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067293338 569467815 /nfs/dbraw/zinc/46/78/15/569467815.db2.gz YNHJXBJALSTGII-MEFGMAGPSA-N -1 1 425.366 5.037 50 0 IKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C(F)(F)F)c2)nc1 ZINC000067294373 569467866 /nfs/dbraw/zinc/46/78/66/569467866.db2.gz ZJWPCUZLDVGADO-SLMZUGIISA-N -1 1 439.393 5.345 50 0 IKAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298163 569468115 /nfs/dbraw/zinc/46/81/15/569468115.db2.gz GHGMPMYEIGXGDC-BWAHOGKJSA-N -1 1 431.395 5.098 50 0 IKAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298170 569468122 /nfs/dbraw/zinc/46/81/22/569468122.db2.gz KCFYUEFWOYDJHO-BWAHOGKJSA-N -1 1 431.395 5.098 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)cc1 ZINC000008765738 569474796 /nfs/dbraw/zinc/47/47/96/569474796.db2.gz ZYWORNFNBSXOGS-INIZCTEOSA-N 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5.038 50 0 IKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000035404398 555998945 /nfs/dbraw/zinc/99/89/45/555998945.db2.gz BCQSMKCOKJDWHP-CXUHLZMHSA-N -1 1 425.453 5.622 50 0 IKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000004660828 556005274 /nfs/dbraw/zinc/00/52/74/556005274.db2.gz AJJVEZHOCKLQBO-SFHVURJKSA-N -1 1 425.594 6.508 50 0 IKAAMM CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 ZINC000006059805 556073104 /nfs/dbraw/zinc/07/31/04/556073104.db2.gz LNFAZIGWVYVNRQ-MRXNPFEDSA-N -1 1 446.012 6.737 50 0 IKAAMM CCC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 ZINC000006059807 556073203 /nfs/dbraw/zinc/07/32/03/556073203.db2.gz LNFAZIGWVYVNRQ-INIZCTEOSA-N -1 1 446.012 6.737 50 0 IKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 ZINC000006059803 556073249 /nfs/dbraw/zinc/07/32/49/556073249.db2.gz ABTZYGAATWMHJB-KRWDZBQOSA-N -1 1 433.573 6.635 50 0 IKAAMM O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1 ZINC000006446748 556088535 /nfs/dbraw/zinc/08/85/35/556088535.db2.gz VNWWFYHHRVJWFA-UHFFFAOYSA-N -1 1 442.474 6.320 50 0 IKAAMM COc1ccc(-c2n[n-]c(=S)n2C[C@@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000002793186 556144715 /nfs/dbraw/zinc/14/47/15/556144715.db2.gz ZMMBRVWTGVBYCC-SFHVURJKSA-N -1 1 445.972 5.336 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(CC)cc1)c1ccccc21 ZINC000008425975 556168586 /nfs/dbraw/zinc/16/85/86/556168586.db2.gz QLDHLSMOUMEYBV-UHFFFAOYSA-N -1 1 437.517 5.434 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000008438992 556174907 /nfs/dbraw/zinc/17/49/07/556174907.db2.gz NURWEEMTLJFITE-MRXNPFEDSA-N -1 1 435.545 5.910 50 0 IKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc2oc1-c1ccccc1 ZINC000008439203 556175286 /nfs/dbraw/zinc/17/52/86/556175286.db2.gz IYDZKEMPSCGWJP-UHFFFAOYSA-N -1 1 449.528 5.694 50 0 IKAAMM CCCc1oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2c1C(=O)OCC 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COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000015857193 556557864 /nfs/dbraw/zinc/55/78/64/556557864.db2.gz FUGAZIFDRANJGW-QNGOZBTKSA-N -1 1 441.549 5.165 50 0 IKAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000072311547 556586096 /nfs/dbraw/zinc/58/60/96/556586096.db2.gz FUESGLIYBZHQFR-OAQYLSRUSA-N -1 1 436.581 5.150 50 0 IKAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC000072311548 556586339 /nfs/dbraw/zinc/58/63/39/556586339.db2.gz FUESGLIYBZHQFR-NRFANRHFSA-N -1 1 436.581 5.150 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000016448240 556608514 /nfs/dbraw/zinc/60/85/14/556608514.db2.gz WCOQSXCSUZYXAJ-UHFFFAOYSA-N -1 1 434.439 5.067 50 0 IKAAMM O=S(=O)([N-]c1cccc(-c2cn3ccccc3n2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000016474572 556609936 /nfs/dbraw/zinc/60/99/36/556609936.db2.gz KKKCXSYHXLZGNN-UHFFFAOYSA-N -1 1 437.524 5.373 50 0 IKAAMM CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc([O-])c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 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O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130321 556870047 /nfs/dbraw/zinc/87/00/47/556870047.db2.gz OXHUPRSWCPXXFF-UHFFFAOYSA-N -1 1 446.503 5.546 50 0 IKAAMM O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130323 556870111 /nfs/dbraw/zinc/87/01/11/556870111.db2.gz OIPUHENJIXNDPZ-UHFFFAOYSA-N -1 1 446.503 5.546 50 0 IKAAMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130330 556870138 /nfs/dbraw/zinc/87/01/38/556870138.db2.gz FFYNNRVRBYYXPK-UHFFFAOYSA-N -1 1 442.540 5.084 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)cc3)sc2c1 ZINC000033169222 556880598 /nfs/dbraw/zinc/88/05/98/556880598.db2.gz DEGDITCDAHILKL-UHFFFAOYSA-N -1 1 428.510 5.220 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169238 556880657 /nfs/dbraw/zinc/88/06/57/556880657.db2.gz ZDPPPSFUXCJRLS-UHFFFAOYSA-N -1 1 430.938 5.426 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169047 556881150 /nfs/dbraw/zinc/88/11/50/556881150.db2.gz YUNKPUZFZCVDQS-UHFFFAOYSA-N -1 1 428.966 5.980 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)cc1 ZINC000033169060 556881367 /nfs/dbraw/zinc/88/13/67/556881367.db2.gz DQWRXNGLOKMJII-UHFFFAOYSA-N -1 1 428.966 6.034 50 0 IKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000033169121 556881375 /nfs/dbraw/zinc/88/13/75/556881375.db2.gz BPTWNLOIGKQIPX-UHFFFAOYSA-N -1 1 434.586 5.951 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)sc2c1 ZINC000033169193 556881445 /nfs/dbraw/zinc/88/14/45/556881445.db2.gz OOADHAONNCULLW-UHFFFAOYSA-N -1 1 428.510 5.220 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1 ZINC000033169162 556881456 /nfs/dbraw/zinc/88/14/56/556881456.db2.gz RRLSXROFRSXRLD-UHFFFAOYSA-N -1 1 434.586 5.951 50 0 IKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000033169130 556881520 /nfs/dbraw/zinc/88/15/20/556881520.db2.gz VGLBAOZXLYTYGK-UHFFFAOYSA-N -1 1 428.966 6.034 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1 ZINC000033169089 556881569 /nfs/dbraw/zinc/88/15/69/556881569.db2.gz NRCKJQFHWTUVHC-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033173546 556883512 /nfs/dbraw/zinc/88/35/12/556883512.db2.gz MIJQXXNKMLOTQQ-UHFFFAOYSA-N -1 1 430.835 5.377 50 0 IKAAMM Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000033173827 556884012 /nfs/dbraw/zinc/88/40/12/556884012.db2.gz BWQDCUYFPPRUNG-UHFFFAOYSA-N -1 1 435.880 5.228 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c(C)c(C)cc(C)c4C)cc3)sc2c1 ZINC000013948075 556976397 /nfs/dbraw/zinc/97/63/97/556976397.db2.gz VYAFIGYPGAIXSO-UHFFFAOYSA-N -1 1 436.602 6.306 50 0 IKAAMM CCOc1ccc(-c2nc(CSc3nc(-c4cccc(OC)c4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000023126196 557007932 /nfs/dbraw/zinc/00/79/32/557007932.db2.gz WWEHHOCSISHGMY-UHFFFAOYSA-N -1 1 449.532 5.512 50 0 IKAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000017196565 557039903 /nfs/dbraw/zinc/03/99/03/557039903.db2.gz DSCCTLQRRFTYSE-QHCPKHFHSA-N -1 1 439.968 5.045 50 0 IKAAMM O=c1[n-]c(SCc2cccc(F)c2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948330 557045955 /nfs/dbraw/zinc/04/59/55/557045955.db2.gz CDIDQQDTECPNLI-UHFFFAOYSA-N -1 1 435.958 5.590 50 0 IKAAMM CCOc1ccc(-c2csc3c2[n-]c(N2CCc4ccccc4C2)nc3=O)cc1OCC ZINC000048989253 557083399 /nfs/dbraw/zinc/08/33/99/557083399.db2.gz INSPOQPLHKLLSM-UHFFFAOYSA-N -1 1 447.560 5.012 50 0 IKAAMM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc(NC2CCCCC2)n1 ZINC000033326929 557108890 /nfs/dbraw/zinc/10/88/90/557108890.db2.gz MBNCSOLQUXQOQN-UHFFFAOYSA-N -1 1 443.598 5.136 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000017917230 557128644 /nfs/dbraw/zinc/12/86/44/557128644.db2.gz CZGHBPAVGARDAP-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc(Cl)s1 ZINC000023982931 557129435 /nfs/dbraw/zinc/12/94/35/557129435.db2.gz XUVLCAFEPVZNHQ-UHFFFAOYSA-N -1 1 427.334 5.108 50 0 IKAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000017962758 557133415 /nfs/dbraw/zinc/13/34/15/557133415.db2.gz AIEAUCKZDOVYMT-QGZVFWFLSA-N -1 1 446.576 5.427 50 0 IKAAMM Cc1c(NC(=O)c2ccc(Cl)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1 ZINC000000719269 557149327 /nfs/dbraw/zinc/14/93/27/557149327.db2.gz CAGJXEMBPFYAGR-UHFFFAOYSA-N -1 1 443.952 5.563 50 0 aggregator IKAAMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2oc3ccccc3c2c1 ZINC000016525532 557155025 /nfs/dbraw/zinc/15/50/25/557155025.db2.gz FLNMDNKLOCDGAJ-UHFFFAOYSA-N -1 1 449.915 6.833 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000024765185 557164920 /nfs/dbraw/zinc/16/49/20/557164920.db2.gz QZPDJADJSCJTTH-UHFFFAOYSA-N -1 1 449.359 5.284 50 0 IKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CSc1cccs1 ZINC000000778189 557173686 /nfs/dbraw/zinc/17/36/86/557173686.db2.gz ZDQWKRGTTDEBDA-UHFFFAOYSA-N -1 1 426.357 5.177 50 0 IKAAMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000024927528 557180556 /nfs/dbraw/zinc/18/05/56/557180556.db2.gz GPYUHXJXGTWCJN-UHFFFAOYSA-N -1 1 446.580 5.056 50 0 IKAAMM O=C(Nc1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)c1ccc2ccccc2c1[O-] ZINC000000797342 557212063 /nfs/dbraw/zinc/21/20/63/557212063.db2.gz RQZAUKPTDOLJPL-UHFFFAOYSA-N -1 1 442.858 5.252 50 0 IKAAMM O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)cc(Cc2ccccc2)c1[O-] ZINC000025560463 557214812 /nfs/dbraw/zinc/21/48/12/557214812.db2.gz RDDSTDREQIMRSH-UHFFFAOYSA-N -1 1 441.141 6.849 50 0 IKAAMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098071669 557233034 /nfs/dbraw/zinc/23/30/34/557233034.db2.gz FJFQMVMTZYRNDE-UHFFFAOYSA-N -1 1 432.620 5.061 50 0 IKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072884 557233237 /nfs/dbraw/zinc/23/32/37/557233237.db2.gz ZOWKAPRVUODBDK-UHFFFAOYSA-N -1 1 449.075 5.576 50 0 IKAAMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073019 557233247 /nfs/dbraw/zinc/23/32/47/557233247.db2.gz ZQCZSCSRXSMBRR-UHFFFAOYSA-N -1 1 448.182 5.288 50 0 IKAAMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073014 557233334 /nfs/dbraw/zinc/23/33/34/557233334.db2.gz KZFKOALZGPUGKX-UHFFFAOYSA-N -1 1 436.293 5.566 50 0 IKAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072960 557233341 /nfs/dbraw/zinc/23/33/41/557233341.db2.gz AHLNQJSPFVPXCK-UHFFFAOYSA-N -1 1 436.293 5.611 50 0 IKAAMM Cc1cc(=O)[n-]c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)n1 ZINC000018114098 557237575 /nfs/dbraw/zinc/23/75/75/557237575.db2.gz LULXDVCKNIDTEZ-UHFFFAOYSA-N -1 1 430.316 5.045 50 0 IKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[nH]c1=S ZINC000101495170 557289085 /nfs/dbraw/zinc/28/90/85/557289085.db2.gz KMCJCCUZYAJROK-LJQANCHMSA-N -1 1 437.590 5.769 50 0 IKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n1C1CCCCC1 ZINC000101766602 557295718 /nfs/dbraw/zinc/29/57/18/557295718.db2.gz IZESJYWWWXCFEK-NRFANRHFSA-N -1 1 447.560 5.105 50 0 IKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=S ZINC000101767009 557295821 /nfs/dbraw/zinc/29/58/21/557295821.db2.gz ICECQTJDOWHSJP-FQEVSTJZSA-N -1 1 445.569 5.660 50 0 IKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=S ZINC000101767015 557295831 /nfs/dbraw/zinc/29/58/31/557295831.db2.gz ICECQTJDOWHSJP-HXUWFJFHSA-N -1 1 445.569 5.660 50 0 IKAAMM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000102706571 557366584 /nfs/dbraw/zinc/36/65/84/557366584.db2.gz VCKMBHWNGBOGEH-KKUQBAQOSA-N -1 1 434.495 5.199 50 0 IKAAMM O=C(c1ccc(Cl)cc1)[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000524730496 557369190 /nfs/dbraw/zinc/36/91/90/557369190.db2.gz LBDYFOPUCFKBSV-INIZCTEOSA-N -1 1 446.842 5.095 50 0 biogenic IKAAMM COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)c(C)o2)cc1OC ZINC000045924911 557549964 /nfs/dbraw/zinc/54/99/64/557549964.db2.gz PTSCFWTZUAGGGZ-UHFFFAOYSA-N -1 1 435.505 5.122 50 0 IKAAMM CCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000892345 557860513 /nfs/dbraw/zinc/86/05/13/557860513.db2.gz CBFITEZYNMDVPK-UHFFFAOYSA-N -1 1 434.565 5.168 50 0 IKAAMM CCCCCCc1cc2cc(-c3csc(-c4ccc(OC)cc4)n3)c(=O)oc2cc1[O-] ZINC000001650063 562923780 /nfs/dbraw/zinc/92/37/80/562923780.db2.gz TVVUAZIQQXSKBU-UHFFFAOYSA-N -1 1 435.545 6.421 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008595429 562953488 /nfs/dbraw/zinc/95/34/88/562953488.db2.gz IKJZPZSLIGICJC-JOCHJYFZSA-N -1 1 447.491 5.204 50 0 aggregator IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008595429 562953489 /nfs/dbraw/zinc/95/34/89/562953489.db2.gz IKJZPZSLIGICJC-JOCHJYFZSA-N -1 1 447.491 5.204 50 0 aggregator IKAAMM CCOc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(F)cccc2F)cc1 ZINC000008654528 562960196 /nfs/dbraw/zinc/96/01/96/562960196.db2.gz LGFGVEORMFFFLX-UHFFFAOYSA-N -1 1 436.414 5.614 50 0 IKAAMM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000008683812 562962007 /nfs/dbraw/zinc/96/20/07/562962007.db2.gz LMZQJGGRXMHMEB-UHFFFAOYSA-N -1 1 435.574 5.346 50 0 aggregator IKAAMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4nc5cccnc5s4)cc3)cc2s1 ZINC000008683788 562962018 /nfs/dbraw/zinc/96/20/18/562962018.db2.gz MDIUHSXLUNWCLE-UHFFFAOYSA-N -1 1 438.559 5.077 50 0 IKAAMM CCCCCCc1cc2cc(-c3csc(/C=C/c4ccccc4)n3)c(=O)oc2cc1[O-] ZINC000009070552 562966836 /nfs/dbraw/zinc/96/68/36/562966836.db2.gz HGBMOUZLBAYJRN-OUKQBFOZSA-N -1 1 431.557 6.915 50 0 IKAAMM CCCCCCc1cc2cc(-c3csc(/C=C\c4ccccc4)n3)c(=O)oc2cc1[O-] ZINC000038166544 563096873 /nfs/dbraw/zinc/09/68/73/563096873.db2.gz HGBMOUZLBAYJRN-SEYXRHQNSA-N -1 1 431.557 6.915 50 0 IKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057258 568642053 /nfs/dbraw/zinc/64/20/53/568642053.db2.gz VQMYPPVXYBQQQE-IBGZPJMESA-N -1 1 449.576 5.024 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000001068346 568656476 /nfs/dbraw/zinc/65/64/76/568656476.db2.gz VLZBYDFLHLSHAF-UHFFFAOYSA-N -1 1 436.558 5.677 50 0 IKAAMM Cc1nc(SCc2nc(-c3ccc(F)c(Cl)c3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000044169048 568749042 /nfs/dbraw/zinc/74/90/42/568749042.db2.gz QXLPWSXSXHZVKL-UHFFFAOYSA-N -1 1 442.903 5.216 50 0 IKAAMM COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1OCc1ccc(F)cc1 ZINC000085411816 568818038 /nfs/dbraw/zinc/81/80/38/568818038.db2.gz STOIZOANMHTBKQ-NRFANRHFSA-N -1 1 441.528 5.370 50 0 IKAAMM COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1OCc1ccccc1F ZINC000085412235 568818298 /nfs/dbraw/zinc/81/82/98/568818298.db2.gz UMXKUYBTERFLHI-OAQYLSRUSA-N -1 1 441.528 5.370 50 0 IKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccccc1F ZINC000085412297 568818451 /nfs/dbraw/zinc/81/84/51/568818451.db2.gz QQDWTAXNHYFUJY-NRFANRHFSA-N -1 1 441.528 5.370 50 0 IKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2s1)c1ccccc1 ZINC000015870165 568851662 /nfs/dbraw/zinc/85/16/62/568851662.db2.gz ZULKSCCWPAGPOV-UHFFFAOYSA-N -1 1 443.937 5.003 50 0 IKAAMM O=S(=O)([N-]c1cccc(C2SCCCS2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911583 568880710 /nfs/dbraw/zinc/88/07/10/568880710.db2.gz ZWMUUHZQGBQBIM-UHFFFAOYSA-N -1 1 437.505 5.514 50 0 IKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000033421087 568896108 /nfs/dbraw/zinc/89/61/08/568896108.db2.gz CBPKMHTUUJZCCF-DEDYPNTBSA-N -1 1 427.591 6.291 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000035671350 568897284 /nfs/dbraw/zinc/89/72/84/568897284.db2.gz NNVQQSHNAWDONZ-UHFFFAOYSA-N -1 1 426.498 5.185 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000035671469 568897358 /nfs/dbraw/zinc/89/73/58/568897358.db2.gz HZJZTJXAVMGOFQ-UHFFFAOYSA-N -1 1 442.953 5.700 50 0 IKAAMM COc1ccc(-c2nc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000064700413 568944356 /nfs/dbraw/zinc/94/43/56/568944356.db2.gz ILSFTURQJFXRCQ-UHFFFAOYSA-N -1 1 439.924 5.767 50 0 IKAAMM Cc1ccc(-n2[n-]c(-c3ccccc3)c(-c3ccc(NC(=O)c4ccccc4)cc3)c2=O)cc1 ZINC000036094141 568950872 /nfs/dbraw/zinc/95/08/72/568950872.db2.gz MVUXHPUTVCPIBS-UHFFFAOYSA-N -1 1 445.522 6.473 50 0 IKAAMM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)s2)n1 ZINC000064769478 568953223 /nfs/dbraw/zinc/95/32/23/568953223.db2.gz OYTCVATURHTZAT-UHFFFAOYSA-N -1 1 446.541 5.492 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c(Cl)c1 ZINC000065098084 569104469 /nfs/dbraw/zinc/10/44/69/569104469.db2.gz WMDLUJDNMMJWJI-UHFFFAOYSA-N -1 1 449.916 5.367 50 0 IKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 ZINC000013133787 569125501 /nfs/dbraw/zinc/12/55/01/569125501.db2.gz DFCSGITUCYYBDN-UHFFFAOYSA-N -1 1 436.320 5.438 50 0 IKAAMM O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000065330910 569137112 /nfs/dbraw/zinc/13/71/12/569137112.db2.gz YRSJLBJSOROENA-UHFFFAOYSA-N -1 1 448.401 5.349 50 0 IKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)cc1 ZINC000016840788 569163262 /nfs/dbraw/zinc/16/32/62/569163262.db2.gz MDUIRKSMWKEYKS-UHFFFAOYSA-N -1 1 439.924 5.767 50 0 IKAAMM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2ccncc2)cc(=O)[n-]1 ZINC000016841814 569163372 /nfs/dbraw/zinc/16/33/72/569163372.db2.gz PZVMCMVCDXCMSE-UHFFFAOYSA-N -1 1 434.521 5.287 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 ZINC000001049608 569176415 /nfs/dbraw/zinc/17/64/15/569176415.db2.gz ALJHWPOQISBSTC-UHFFFAOYSA-N -1 1 428.941 5.318 50 0 IKAAMM CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000003105223 569177703 /nfs/dbraw/zinc/17/77/03/569177703.db2.gz BFWNRBUQJXWHKC-UHFFFAOYSA-N -1 1 426.563 5.078 50 0 IKAAMM Cc1c(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c2ccccc2n1C ZINC000002109713 569181864 /nfs/dbraw/zinc/18/18/64/569181864.db2.gz GJOBZDOUGHHJEF-UHFFFAOYSA-N -1 1 439.467 5.227 50 0 biogenic IKAAMM Cc1c(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc2n1C ZINC000002109713 569181866 /nfs/dbraw/zinc/18/18/66/569181866.db2.gz GJOBZDOUGHHJEF-UHFFFAOYSA-N -1 1 439.467 5.227 50 0 biogenic IKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000002193995 569190821 /nfs/dbraw/zinc/19/08/21/569190821.db2.gz QRMOQAQBVLGPTD-UHFFFAOYSA-N -1 1 447.466 5.341 50 0 IKAAMM COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000002241933 569213632 /nfs/dbraw/zinc/21/36/32/569213632.db2.gz SQUIIQMWVFKZOY-UHFFFAOYSA-N -1 1 447.922 5.648 50 0 IKAAMM COc1cc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc(OC)c1OC ZINC000027521432 569218223 /nfs/dbraw/zinc/21/82/23/569218223.db2.gz XGWRYGNOKYBBMP-UHFFFAOYSA-N -1 1 448.475 5.095 50 0 IKAAMM CCCOc1c(Br)cc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000027532019 569266422 /nfs/dbraw/zinc/26/64/22/569266422.db2.gz QWNLQEMXPNYNLI-YHYXMXQVSA-N -1 1 437.178 5.330 50 0 IKAAMM CCCCCCn1c([O-])c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 ZINC000002291651 569268011 /nfs/dbraw/zinc/26/80/11/569268011.db2.gz DQULTHWXWDUYLU-UHFFFAOYSA-N -1 1 433.335 5.847 50 0 IKAAMM O=S(=O)([N-]c1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000008857292 569291423 /nfs/dbraw/zinc/29/14/23/569291423.db2.gz CZSYJWGANAEJRY-VGOFMYFVSA-N -1 1 426.950 5.921 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000013074113 569309152 /nfs/dbraw/zinc/30/91/52/569309152.db2.gz SGHZFUSNKZGHTE-UHFFFAOYSA-N -1 1 425.394 5.823 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1 ZINC000013359197 569313901 /nfs/dbraw/zinc/31/39/01/569313901.db2.gz BKILOVLWGNQKAX-UHFFFAOYSA-N -1 1 434.517 5.517 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)c(C)c4)co3)cc2)cc1 ZINC000013360720 569313998 /nfs/dbraw/zinc/31/39/98/569313998.db2.gz YEORWKNTWZZJOX-UHFFFAOYSA-N -1 1 434.517 5.435 50 0 IKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)cc3)n2)c(C)c1 ZINC000013360679 569314044 /nfs/dbraw/zinc/31/40/44/569314044.db2.gz XCGBKIOEHPWBFY-UHFFFAOYSA-N -1 1 446.572 6.550 50 0 IKAAMM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000096399613 569400305 /nfs/dbraw/zinc/40/03/05/569400305.db2.gz ZJBVBRWSLFGYBS-UHFFFAOYSA-N -1 1 432.514 5.616 50 0 IKAAMM CC1(C)SC(=S)N(Nc2ccccc2)[C@@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000096564695 569401350 /nfs/dbraw/zinc/40/13/50/569401350.db2.gz JCXUXWREPDYIBJ-LJQANCHMSA-N -1 1 438.578 5.528 50 0 IKAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000002639965 569413488 /nfs/dbraw/zinc/41/34/88/569413488.db2.gz XVWWKAGPBHRGRB-UHFFFAOYSA-N -1 1 448.588 5.296 50 0 IKAAMM CCCCCOc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000002642998 569413739 /nfs/dbraw/zinc/41/37/39/569413739.db2.gz KNFQRWGLTMODIF-UHFFFAOYSA-N -1 1 448.544 5.578 50 0 IKAAMM Cc1ccc2oc(-c3ccc(NC(=O)CCn4c5ccccc5oc4=S)cc3[O-])nc2c1 ZINC000002923408 569425524 /nfs/dbraw/zinc/42/55/24/569425524.db2.gz USRMUCMLVVELEE-UHFFFAOYSA-N -1 1 445.500 5.815 50 0 biogenic IKAAMM O=S(=O)([N-]c1cc2c3c(oc2c(Br)c1)CCCC3)c1ccc(Cl)cc1 ZINC000003056953 569439397 /nfs/dbraw/zinc/43/93/97/569439397.db2.gz SWSSVDGCKUFSSK-UHFFFAOYSA-N -1 1 440.746 5.528 50 0 IKAAMM O=C(NC1CCCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003331550 569446479 /nfs/dbraw/zinc/44/64/79/569446479.db2.gz VXCSTSQDWQXXNV-UHFFFAOYSA-N -1 1 441.380 5.247 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Sc3ccccc3)cc2C)c1 ZINC000058079762 569446798 /nfs/dbraw/zinc/44/67/98/569446798.db2.gz DXKSBHXLBSJEJZ-UHFFFAOYSA-N -1 1 446.601 6.014 50 0 IKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000032093136 569459734 /nfs/dbraw/zinc/45/97/34/569459734.db2.gz FMDRSQLZPKHJCP-UHFFFAOYSA-N -1 1 437.455 5.427 50 0 IKAAMM COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000032461021 569461847 /nfs/dbraw/zinc/46/18/47/569461847.db2.gz OEWDSUKIIYHZPM-OAQYLSRUSA-N -1 1 436.581 5.069 50 0 IKAAMM CC(=O)N1c2ccccc2CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000008426408 569464137 /nfs/dbraw/zinc/46/41/37/569464137.db2.gz DZCCOVRLUCLVNR-UHFFFAOYSA-N -1 1 442.540 5.424 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2Cl ZINC000008765706 569474801 /nfs/dbraw/zinc/47/48/01/569474801.db2.gz BCSLXOWOKHCADM-UHFFFAOYSA-N -1 1 428.293 5.026 50 0 IKAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3 ZINC000008870346 569480546 /nfs/dbraw/zinc/48/05/46/569480546.db2.gz LTTYQPZPDNDAMK-UHFFFAOYSA-N -1 1 439.577 5.995 50 0 IKAAMM CCC(C)(C)[C@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 ZINC000008870288 569480563 /nfs/dbraw/zinc/48/05/63/569480563.db2.gz FFNROQRXQSGOTQ-INIZCTEOSA-N -1 1 446.012 6.737 50 0 IKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccccc3)c(C)cc2oc1-c1ccccc1 ZINC000008870304 569480568 /nfs/dbraw/zinc/48/05/68/569480568.db2.gz WXSBUBQTBTXJMO-UHFFFAOYSA-N -1 1 435.501 5.386 50 0 IKAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C[C@H](C(C)(C)C)CC3 ZINC000008870298 569480570 /nfs/dbraw/zinc/48/05/70/569480570.db2.gz NDAUSSIBTZHZIR-OAHLLOKOSA-N -1 1 431.985 6.346 50 0 IKAAMM CCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000008870326 569480597 /nfs/dbraw/zinc/48/05/97/569480597.db2.gz NASGKWOSOSVJLY-UHFFFAOYSA-N -1 1 429.538 5.325 50 0 IKAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(Br)cc1)C[C@H](C)CC3 ZINC000008870363 569480637 /nfs/dbraw/zinc/48/06/37/569480637.db2.gz WBGCWUBQHMBAAR-GFCCVEGCSA-N -1 1 434.355 5.429 50 0 IKAAMM CCc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3[O-])nc2c1 ZINC000008895132 569483693 /nfs/dbraw/zinc/48/36/93/569483693.db2.gz HGBOGBHRGGWKEJ-UHFFFAOYSA-N -1 1 434.495 6.682 50 0 IKAAMM Cc1ccccc1NC(=O)N([O-])[C@H]1N(c2ccccc2C)C(=O)N(CCC(C)C)C1(C)C ZINC000008926372 569487249 /nfs/dbraw/zinc/48/72/49/569487249.db2.gz PSMWGZMFZMYGTH-JOCHJYFZSA-N -1 1 438.572 5.620 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2N(C)c2ccccc2)c1 ZINC000040122761 569489660 /nfs/dbraw/zinc/48/96/60/569489660.db2.gz NIJPLHQUKLYMOM-UHFFFAOYSA-N -1 1 429.549 5.323 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000040135708 569490768 /nfs/dbraw/zinc/49/07/68/569490768.db2.gz VAMQGEPWLDUGSH-UHFFFAOYSA-N -1 1 436.556 5.151 50 0 IKAAMM Cc1cc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)ccc1Cl ZINC000008974175 569492847 /nfs/dbraw/zinc/49/28/47/569492847.db2.gz CJPXTZGLBMIODJ-UHFFFAOYSA-N -1 1 425.937 6.227 50 0 IKAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)ccc1Cl ZINC000008974156 569492867 /nfs/dbraw/zinc/49/28/67/569492867.db2.gz AOCWVDAUIULEII-OAHLLOKOSA-N -1 1 431.985 6.346 50 0 IKAAMM CCCCCN1C(=O)N(c2ccccc2C)[C@@H](N([O-])C(=O)Nc2ccccc2C)C1(C)C ZINC000009019511 569496919 /nfs/dbraw/zinc/49/69/19/569496919.db2.gz MMCTVUKDVKRYIG-QFIPXVFZSA-N -1 1 438.572 5.764 50 0 IKAAMM S=c1[n-]nc2c3c(nc(SCc4ccccc4)n12)-c1ccccc1CC31CCCCC1 ZINC000009044386 569497990 /nfs/dbraw/zinc/49/79/90/569497990.db2.gz XMRHVTSDOVNLGN-UHFFFAOYSA-N -1 1 444.629 6.130 50 0 IKAAMM CN1C(=S)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000009124720 569504410 /nfs/dbraw/zinc/50/44/10/569504410.db2.gz AWZPWJQLNRBYOS-INIZCTEOSA-N -1 1 439.368 5.058 50 0 IKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccccc3F)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000009130252 569505950 /nfs/dbraw/zinc/50/59/50/569505950.db2.gz VULGKHFBRDKDGH-UHFFFAOYSA-N -1 1 435.886 5.778 50 0 IKAAMM Cc1ccc(C)c(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c([O-])c2)c1 ZINC000009130205 569506023 /nfs/dbraw/zinc/50/60/23/569506023.db2.gz ZPTQCQARTKAEJD-UHFFFAOYSA-N -1 1 431.923 5.948 50 0 IKAAMM CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000009130720 569506124 /nfs/dbraw/zinc/50/61/24/569506124.db2.gz JFTYMQVWZWIISZ-UHFFFAOYSA-N -1 1 427.220 5.629 50 0 IKAAMM O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1 ZINC000009299700 569520585 /nfs/dbraw/zinc/52/05/85/569520585.db2.gz BDXPHUVIJSGJLK-QYQHSDTDSA-N -1 1 440.286 5.625 50 0 IKAAMM Cc1ccc([C@@H](c2ccc(C)cc2)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)o1 ZINC000009327473 569522736 /nfs/dbraw/zinc/52/27/36/569522736.db2.gz DXJDCUUOVWECFO-SANMLTNESA-N -1 1 431.557 6.186 50 0 IKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000009409949 569531189 /nfs/dbraw/zinc/53/11/89/569531189.db2.gz WDDKEFZVJRAMQY-UHFFFAOYSA-N -1 1 434.879 5.883 50 0 IKAAMM CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000009410306 569531352 /nfs/dbraw/zinc/53/13/52/569531352.db2.gz BCKTXXMHUZFPDD-UHFFFAOYSA-N -1 1 442.515 6.236 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccc(OC)c(OC)c3)c([O-])c2)cc1 ZINC000009430451 569533957 /nfs/dbraw/zinc/53/39/57/569533957.db2.gz CZICELXLFNNUCM-UHFFFAOYSA-N -1 1 440.499 5.755 50 0 IKAAMM Cc1cc2nc(-c3cc(NC(=O)c4cccc(Br)c4)ccc3[O-])oc2cc1C ZINC000009780008 569567468 /nfs/dbraw/zinc/56/74/68/569567468.db2.gz HHOMDFVNHQMAPY-UHFFFAOYSA-N -1 1 437.293 5.832 50 0 IKAAMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3[O-])nc2c1 ZINC000009934679 569573777 /nfs/dbraw/zinc/57/37/77/569573777.db2.gz LFSYMJFUDJADIL-UHFFFAOYSA-N -1 1 443.484 5.382 50 0 IKAAMM O=C(Cc1sc(Cc2nc3ccccc3s2)nc1[O-])Nc1ccc2ccccc2c1 ZINC000010275412 569580371 /nfs/dbraw/zinc/58/03/71/569580371.db2.gz RSAJSGRVOBZJJS-IBGZPJMESA-N -1 1 431.542 5.061 50 0 IKAAMM Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000009085856 132302187 /nfs/dbraw/zinc/30/21/87/132302187.db2.gz ZQQBWXNFGPEBLJ-KRWDZBQOSA-N -1 1 433.577 5.569 50 0 IKAAMM CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020550343 519837828 /nfs/dbraw/zinc/83/78/28/519837828.db2.gz XOIWLXJBKANNSY-UHFFFAOYSA-N -1 1 425.579 5.420 50 0 IKAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2s1 ZINC000015870025 521230164 /nfs/dbraw/zinc/23/01/64/521230164.db2.gz ZKTJMQULKIVGKO-UHFFFAOYSA-N -1 1 443.594 5.493 50 0 IKAAMM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021664264 523285685 /nfs/dbraw/zinc/28/56/85/523285685.db2.gz VQDKUVMKBJVZJM-UHFFFAOYSA-N -1 1 439.968 5.296 50 0 IKAAMM COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000001408966 524804847 /nfs/dbraw/zinc/80/48/47/524804847.db2.gz SVVGXUXJVZXOTF-VWLOTQADSA-N -1 1 448.519 5.353 50 0 IKAAMM Cc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c([O-])c1 ZINC000011866325 525173298 /nfs/dbraw/zinc/17/32/98/525173298.db2.gz RGPNHVAUHNXLQM-UHFFFAOYSA-N -1 1 436.433 6.422 50 0 IKAAMM Cc1ccc(SCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C)c1 ZINC000012687007 525650237 /nfs/dbraw/zinc/65/02/37/525650237.db2.gz OSPDVYBPVGXLDU-UHFFFAOYSA-N -1 1 436.558 5.104 50 0 IKAAMM Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)c(C)c1 ZINC000021784245 525791758 /nfs/dbraw/zinc/79/17/58/525791758.db2.gz DACHHELQZQZFSV-KRWDZBQOSA-N -1 1 425.941 5.219 50 0 IKAAMM C[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[n-]c(=O)c21 ZINC000017058530 525823713 /nfs/dbraw/zinc/82/37/13/525823713.db2.gz CAEXUQRJYCOYCC-MHZLTWQESA-N -1 1 446.616 6.002 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3Cl)sc2c1 ZINC000033169061 526242302 /nfs/dbraw/zinc/24/23/02/526242302.db2.gz ICNXRSPJWZZVSM-UHFFFAOYSA-N -1 1 442.993 6.343 50 0 IKAAMM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2cccnc2)cc(=O)[n-]1 ZINC000035480788 526733198 /nfs/dbraw/zinc/73/31/98/526733198.db2.gz FACFCZILCNTLCZ-UHFFFAOYSA-N -1 1 434.521 5.287 50 0 IKAAMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc2ccccc2c1 ZINC000012344349 527102081 /nfs/dbraw/zinc/10/20/81/527102081.db2.gz LUXIKIOPLGLGCD-YBFXNURJSA-N -1 1 440.318 5.544 50 0 IKAAMM O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013113309 527225398 /nfs/dbraw/zinc/22/53/98/527225398.db2.gz UBGIPURZLLUBOG-UHFFFAOYSA-N -1 1 449.576 5.120 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1ccccc1 ZINC000012377093 527245985 /nfs/dbraw/zinc/24/59/85/527245985.db2.gz KWUJJKDYYRLPHP-UHFFFAOYSA-N -1 1 443.450 5.359 50 0 IKAAMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557588 527248447 /nfs/dbraw/zinc/24/84/47/527248447.db2.gz UDAQGKMHCIUKCH-UHFFFAOYSA-N -1 1 427.910 5.049 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1 ZINC000000751853 555553231 /nfs/dbraw/zinc/55/32/31/555553231.db2.gz CHDIFDCRIFQONB-UHFFFAOYSA-N -1 1 433.529 5.850 50 0 biogenic IKAAMM 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RBEMTVLQFMOKBA-SFHVURJKSA-N -1 1 447.600 6.846 50 0 IKAAMM C[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)c4ccccc34)c2C1 ZINC000008439282 556175509 /nfs/dbraw/zinc/17/55/09/556175509.db2.gz LARANPFIXPUHNA-KRWDZBQOSA-N -1 1 447.600 6.809 50 0 IKAAMM Cc1ccc2c(Cl)c(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)sc2c1 ZINC000008440007 556176165 /nfs/dbraw/zinc/17/61/65/556176165.db2.gz AKQJQDSVWKJNOO-UHFFFAOYSA-N -1 1 449.985 6.398 50 0 IKAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569610 556299741 /nfs/dbraw/zinc/29/97/41/556299741.db2.gz YBTNUJJHEYPTPH-IBGZPJMESA-N -1 1 441.597 5.180 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679516 556305816 /nfs/dbraw/zinc/30/58/16/556305816.db2.gz ZTLNSYKCXVKNTN-JOCHJYFZSA-N -1 1 447.878 5.250 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCc1ccc(F)cc1 ZINC000032736145 556305994 /nfs/dbraw/zinc/30/59/94/556305994.db2.gz CNEMQOZACQAQPC-UHFFFAOYSA-N -1 1 446.931 5.160 50 0 IKAAMM Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000013936074 556335850 /nfs/dbraw/zinc/33/58/50/556335850.db2.gz RRNJTBKEFICRFS-UHFFFAOYSA-N -1 1 431.970 5.258 50 0 IKAAMM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[n-]c(=O)c23)C1 ZINC000013941841 556338971 /nfs/dbraw/zinc/33/89/71/556338971.db2.gz OWDIWCMLJNWJJP-ZDUSSCGKSA-N -1 1 438.980 6.716 50 0 IKAAMM CC(C)(C)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1F ZINC000004417471 556501090 /nfs/dbraw/zinc/50/10/90/556501090.db2.gz CIIDUEWHQSPZIA-UHFFFAOYSA-N -1 1 431.495 6.240 50 0 IKAAMM Cc1ccc(Cc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)o2)cc1 ZINC000015869241 556559862 /nfs/dbraw/zinc/55/98/62/556559862.db2.gz JORHMQWTEYGQGF-UHFFFAOYSA-N -1 1 439.924 5.090 50 0 IKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)n2)c(C)c1 ZINC000015869256 556560034 /nfs/dbraw/zinc/56/00/34/556560034.db2.gz MDWVHJUIPSPCTE-UHFFFAOYSA-N -1 1 438.936 6.080 50 0 IKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003067714 556578595 /nfs/dbraw/zinc/57/85/95/556578595.db2.gz PTZYPBSIXLYMRA-UHFFFAOYSA-N -1 1 434.439 5.067 50 0 IKAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C)c1 ZINC000016362315 556603149 /nfs/dbraw/zinc/60/31/49/556603149.db2.gz VASLLVVZKMNBHD-UHFFFAOYSA-N -1 1 426.513 5.112 50 0 IKAAMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401604 556605966 /nfs/dbraw/zinc/60/59/66/556605966.db2.gz BSZRTHRHKMBVRT-UHFFFAOYSA-N -1 1 444.300 5.155 50 0 IKAAMM CSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(F)cc2)n1 ZINC000016741973 556635820 /nfs/dbraw/zinc/63/58/20/556635820.db2.gz YTPZFHBEJBSRRT-UHFFFAOYSA-N -1 1 441.871 5.221 50 0 IKAAMM CCOc1ccc(CCn2c(CC34CC5CC(CC(C5)C3)C4)n[n-]c2=S)cc1OCC ZINC000033797169 556636186 /nfs/dbraw/zinc/63/61/86/556636186.db2.gz VPPYNDCFJLBWHZ-UHFFFAOYSA-N -1 1 441.641 5.740 50 0 IKAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033007528 556656441 /nfs/dbraw/zinc/65/64/41/556656441.db2.gz BFXHQIMGOGGBSM-UHFFFAOYSA-N -1 1 443.594 5.493 50 0 IKAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1)c1ccccc1 ZINC000033007665 556656453 /nfs/dbraw/zinc/65/64/53/556656453.db2.gz SHYHDWNVEWLHQA-UHFFFAOYSA-N -1 1 443.937 5.003 50 0 IKAAMM CCc1c(C)scc1C(=O)Nn1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S ZINC000017095569 556659026 /nfs/dbraw/zinc/65/90/26/556659026.db2.gz VSVDFVGKFJJRBX-UHFFFAOYSA-N -1 1 427.576 5.104 50 0 IKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000011866301 556666229 /nfs/dbraw/zinc/66/62/29/556666229.db2.gz YANDKVWRPOXOQO-UHFFFAOYSA-N -1 1 428.488 5.846 50 0 IKAAMM [O-]c1cc(OCc2ccccc2)ccc1-c1ncncc1-c1ccc(Br)cc1 ZINC000011866388 556666620 /nfs/dbraw/zinc/66/66/20/556666620.db2.gz DSSDOIHKWUVMFV-UHFFFAOYSA-N -1 1 433.305 5.858 50 0 IKAAMM COc1ccc(-c2cc(C(=O)[N-]c3oc4ccccc4c3C(=O)c3ccccc3)no2)cc1 ZINC000011915061 556674093 /nfs/dbraw/zinc/67/40/93/556674093.db2.gz JXXNZLCGPMDVOV-UHFFFAOYSA-N -1 1 438.439 5.580 50 0 IKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 ZINC000003323310 556810401 /nfs/dbraw/zinc/81/04/01/556810401.db2.gz DOCCWFIKBCOOHT-UHFFFAOYSA-N -1 1 426.563 5.214 50 0 IKAAMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000003367812 556812114 /nfs/dbraw/zinc/81/21/14/556812114.db2.gz XCBCBFBVQARMRS-UHFFFAOYSA-N -1 1 431.300 5.315 50 0 IKAAMM CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc3c2C1 ZINC000005508712 556819207 /nfs/dbraw/zinc/81/92/07/556819207.db2.gz YGUDNDMRQRUJAA-GOSISDBHSA-N -1 1 425.594 6.392 50 0 IKAAMM O=C(Nn1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3)c1cc2c(s1)CCCCC2 ZINC000019644001 556839008 /nfs/dbraw/zinc/83/90/08/556839008.db2.gz HLGPLDFHAUYVJM-UHFFFAOYSA-N -1 1 445.635 5.104 50 0 IKAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113762 556860743 /nfs/dbraw/zinc/86/07/43/556860743.db2.gz IBGAEBGQRDIKTB-UHFFFAOYSA-N -1 1 445.544 5.360 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169033 556881254 /nfs/dbraw/zinc/88/12/54/556881254.db2.gz ORWZJCAPDIDZGC-UHFFFAOYSA-N -1 1 430.938 5.426 50 0 IKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000033173609 556883535 /nfs/dbraw/zinc/88/35/35/556883535.db2.gz DQIIFGZHTMLPFW-UHFFFAOYSA-N -1 1 444.862 5.685 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(CC(C)C)cc4)cc3)sc2c1 ZINC000013948061 556976297 /nfs/dbraw/zinc/97/62/97/556976297.db2.gz JQBVHGJIYNCGAL-UHFFFAOYSA-N -1 1 436.602 6.271 50 0 IKAAMM CCOc1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000023126197 557007916 /nfs/dbraw/zinc/00/79/16/557007916.db2.gz IMTLDDOHOYHMEO-UHFFFAOYSA-N -1 1 449.532 5.100 50 0 IKAAMM Cc1ccc(-n2c3nc(SCc4ccccc4Cl)[n-]c(=O)c3sc2=S)cc1 ZINC000032948576 557056830 /nfs/dbraw/zinc/05/68/30/557056830.db2.gz YTIQLMHMKGLCSS-UHFFFAOYSA-N -1 1 431.995 5.759 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4C)cc3Cl)sc2c1 ZINC000033289258 557070476 /nfs/dbraw/zinc/07/04/76/557070476.db2.gz YSKCIBDLLDRCET-UHFFFAOYSA-N -1 1 428.966 6.034 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(Cl)c4)cc3)sc2c1 ZINC000033289328 557070837 /nfs/dbraw/zinc/07/08/37/557070837.db2.gz RZPNFDWLJBFOSQ-UHFFFAOYSA-N -1 1 444.965 5.735 50 0 IKAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)s2)n1 ZINC000033290001 557071778 /nfs/dbraw/zinc/07/17/78/557071778.db2.gz QCEOWMVPHMQQQY-UHFFFAOYSA-N -1 1 434.486 5.188 50 0 IKAAMM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017860198 557126687 /nfs/dbraw/zinc/12/66/87/557126687.db2.gz BPCKCISMEYBLFD-SMIHKQSGSA-N -1 1 426.516 5.035 50 0 IKAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017920679 557128901 /nfs/dbraw/zinc/12/89/01/557128901.db2.gz FWPXXWJCAFWHHE-ZLNRFVROSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1c(NC(=O)c2ccccc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000719271 557149231 /nfs/dbraw/zinc/14/92/31/557149231.db2.gz YZBKVGFAKFOIOI-UHFFFAOYSA-N -1 1 443.952 5.563 50 0 aggregator IKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1Cl ZINC000024776151 557166643 /nfs/dbraw/zinc/16/66/43/557166643.db2.gz JETXJPFVOSTVNU-UHFFFAOYSA-N -1 1 449.359 5.284 50 0 IKAAMM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100914564 557200347 /nfs/dbraw/zinc/20/03/47/557200347.db2.gz FWPXXWJCAFWHHE-ZRBLBEILSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101076911 557226405 /nfs/dbraw/zinc/22/64/05/557226405.db2.gz CZUDJILWSYVQCR-ZRBLBEILSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC000098072707 557233043 /nfs/dbraw/zinc/23/30/43/557233043.db2.gz PVWGNVGGWKLFSS-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072740 557233058 /nfs/dbraw/zinc/23/30/58/557233058.db2.gz CBTMYWQUXRTCHW-UHFFFAOYSA-N -1 1 448.182 5.288 50 0 IKAAMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072805 557233074 /nfs/dbraw/zinc/23/30/74/557233074.db2.gz FCIXXCGJKNDYQJ-UHFFFAOYSA-N -1 1 432.620 5.061 50 0 IKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1Cl ZINC000098072942 557233216 /nfs/dbraw/zinc/23/32/16/557233216.db2.gz AYMGZWNMQKULSB-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018059883 557233946 /nfs/dbraw/zinc/23/39/46/557233946.db2.gz YZORGGDPVBBSOO-VXNXHJTFSA-N -1 1 446.934 5.262 50 0 IKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n1C1CCCCC1 ZINC000101766608 557295809 /nfs/dbraw/zinc/29/58/09/557295809.db2.gz IZESJYWWWXCFEK-OAQYLSRUSA-N -1 1 447.560 5.105 50 0 IKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101766994 557295826 /nfs/dbraw/zinc/29/58/26/557295826.db2.gz XZFBFYZMMIIWCM-MRXNPFEDSA-N -1 1 429.954 5.160 50 0 IKAAMM COc1cccc(-n2c3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948249 557317831 /nfs/dbraw/zinc/31/78/31/557317831.db2.gz DLVRPWUXXWQWKD-UHFFFAOYSA-N -1 1 447.994 5.459 50 0 IKAAMM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 ZINC000033007583 557320571 /nfs/dbraw/zinc/32/05/71/557320571.db2.gz MUCASCXOEIYFCT-UHFFFAOYSA-N -1 1 429.567 5.103 50 0 IKAAMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OCc1ccc(Br)cc1 ZINC000033436954 557335417 /nfs/dbraw/zinc/33/54/17/557335417.db2.gz HURDKEWIPNGAHV-DHDCSXOGSA-N -1 1 436.352 5.366 50 0 IKAAMM O=C1C[C@@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730126 557368883 /nfs/dbraw/zinc/36/88/83/557368883.db2.gz WTIPLJORJPPRHV-SFHVURJKSA-N -1 1 435.435 5.155 50 0 biogenic IKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000524730126 557368886 /nfs/dbraw/zinc/36/88/86/557368886.db2.gz WTIPLJORJPPRHV-SFHVURJKSA-N -1 1 435.435 5.155 50 0 biogenic IKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000524731778 557370167 /nfs/dbraw/zinc/37/01/67/557370167.db2.gz KILAVLQXCNZKAJ-CYBMUJFWSA-N -1 1 438.357 5.024 50 0 biogenic IKAAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000102925164 557409745 /nfs/dbraw/zinc/40/97/45/557409745.db2.gz ITDRVXPRQKGHKR-LJQANCHMSA-N -1 1 445.544 6.113 50 0 IKAAMM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000045924666 557549451 /nfs/dbraw/zinc/54/94/51/557549451.db2.gz SLSHFHKQWRPKNQ-UHFFFAOYSA-N -1 1 437.952 5.991 50 0 IKAAMM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226989794 557811560 /nfs/dbraw/zinc/81/15/60/557811560.db2.gz CZUDJILWSYVQCR-YTFSRNRJSA-N -1 1 432.907 5.008 50 0 IKAAMM COc1ccc2c(CNCc3ccco3)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000008589021 562951032 /nfs/dbraw/zinc/95/10/32/562951032.db2.gz QEHUTFISSDMFGC-UHFFFAOYSA-N -1 1 442.874 5.072 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595841 562953708 /nfs/dbraw/zinc/95/37/08/562953708.db2.gz AYTJBHBSFSYSOQ-QHCPKHFHSA-N -1 1 443.528 5.373 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595841 562953710 /nfs/dbraw/zinc/95/37/10/562953710.db2.gz AYTJBHBSFSYSOQ-QHCPKHFHSA-N -1 1 443.528 5.373 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595840 562953727 /nfs/dbraw/zinc/95/37/27/562953727.db2.gz AYTJBHBSFSYSOQ-HSZRJFAPSA-N -1 1 443.528 5.373 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595840 562953728 /nfs/dbraw/zinc/95/37/28/562953728.db2.gz AYTJBHBSFSYSOQ-HSZRJFAPSA-N -1 1 443.528 5.373 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)cc2Cl ZINC000008682308 562961685 /nfs/dbraw/zinc/96/16/85/562961685.db2.gz UPLYJBUDTFQPAL-UHFFFAOYSA-N -1 1 442.320 5.334 50 0 IKAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000017962757 568620853 /nfs/dbraw/zinc/62/08/53/568620853.db2.gz AIEAUCKZDOVYMT-KRWDZBQOSA-N -1 1 446.576 5.427 50 0 IKAAMM O=C(Nc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000015408542 568622740 /nfs/dbraw/zinc/62/27/40/568622740.db2.gz PUQDJFSPEKKHRX-UHFFFAOYSA-N -1 1 439.295 5.186 50 0 IKAAMM CCOc1ccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[n-]2)cc1OCC ZINC000001080782 568657287 /nfs/dbraw/zinc/65/72/87/568657287.db2.gz RSEPBPGAKNVOTR-UHFFFAOYSA-N -1 1 439.562 5.028 50 0 IKAAMM CCC(C)(C)c1ccc(Oc2ccccc2NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000005950882 568739342 /nfs/dbraw/zinc/73/93/42/568739342.db2.gz YOKZEPPHXJVUBM-UHFFFAOYSA-N -1 1 425.528 7.278 50 0 IKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc34)c2C(=O)C1 ZINC000001405393 568786803 /nfs/dbraw/zinc/78/68/03/568786803.db2.gz GYNCFIIRXBODMF-UHFFFAOYSA-N -1 1 437.492 5.681 50 0 IKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000085654768 568834026 /nfs/dbraw/zinc/83/40/26/568834026.db2.gz ACVKUCFPEWGZIB-UHFFFAOYSA-N -1 1 431.473 5.259 50 0 IKAAMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3n2CC)c1 ZINC000015870500 568852014 /nfs/dbraw/zinc/85/20/14/568852014.db2.gz IDFMGHJCQQMKMK-UHFFFAOYSA-N -1 1 433.577 5.205 50 0 IKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000015870676 568852204 /nfs/dbraw/zinc/85/22/04/568852204.db2.gz LWBLQDGBLGCGBQ-UHFFFAOYSA-N -1 1 439.968 5.121 50 0 IKAAMM Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000016035661 568867880 /nfs/dbraw/zinc/86/78/80/568867880.db2.gz BRQORNZSNPSHJC-UHFFFAOYSA-N -1 1 449.359 5.284 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccccc2Cl)s1 ZINC000035671471 568897309 /nfs/dbraw/zinc/89/73/09/568897309.db2.gz IRGQZADGGSBOEJ-UHFFFAOYSA-N -1 1 442.953 5.700 50 0 IKAAMM CC(C)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000064557960 568931851 /nfs/dbraw/zinc/93/18/51/568931851.db2.gz SOXBCSYQXMRUDT-JOCHJYFZSA-N -1 1 433.529 5.141 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3)sc2c1 ZINC000002026617 568931952 /nfs/dbraw/zinc/93/19/52/568931952.db2.gz YJSRHKFUJBBLAT-UHFFFAOYSA-N -1 1 430.554 6.226 50 0 IKAAMM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c1-c1ccno1 ZINC000064845294 568972081 /nfs/dbraw/zinc/97/20/81/568972081.db2.gz HBHKSCNKSUCRDK-UHFFFAOYSA-N -1 1 431.583 5.057 50 0 IKAAMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000013133869 569125563 /nfs/dbraw/zinc/12/55/63/569125563.db2.gz OMUVUCYDJUCXHR-UHFFFAOYSA-N -1 1 448.466 5.375 50 0 IKAAMM O=c1nc(N2CCC(Cc3ccccc3)CC2)[n-]c2c(-c3ccc(Cl)cc3)csc21 ZINC000065314518 569135577 /nfs/dbraw/zinc/13/55/77/569135577.db2.gz YHDOJNRYORBCPA-UHFFFAOYSA-N -1 1 435.980 5.764 50 0 IKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)c1 ZINC000016840797 569163247 /nfs/dbraw/zinc/16/32/47/569163247.db2.gz ZTEXQPDNWVTCGA-UHFFFAOYSA-N -1 1 439.924 5.767 50 0 IKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)cc1 ZINC000016840800 569163273 /nfs/dbraw/zinc/16/32/73/569163273.db2.gz JEONKGSFJZPVQC-UHFFFAOYSA-N -1 1 439.924 5.767 50 0 IKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000016977065 569168907 /nfs/dbraw/zinc/16/89/07/569168907.db2.gz WDFCUECRTUOFLU-UHFFFAOYSA-N -1 1 431.304 5.728 50 0 IKAAMM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)cc1 ZINC000003123011 569181070 /nfs/dbraw/zinc/18/10/70/569181070.db2.gz AKXJAFSMLGDBFW-UHFFFAOYSA-N -1 1 425.528 7.278 50 0 IKAAMM CCCCCCc1cc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2cc1[O-] ZINC000002181951 569190390 /nfs/dbraw/zinc/19/03/90/569190390.db2.gz AJWHOYLWOMTONI-UHFFFAOYSA-N -1 1 444.325 5.636 50 0 IKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3Cl)cc2[O-])n1 ZINC000002208128 569193848 /nfs/dbraw/zinc/19/38/48/569193848.db2.gz GNDKZJAHPNUEMT-UHFFFAOYSA-N -1 1 438.314 5.984 50 0 IKAAMM Nc1nc(-c2ccc(OCc3ccccc3)cc2[O-])c(-c2ccccc2)c(C(F)(F)F)n1 ZINC000002216221 569203514 /nfs/dbraw/zinc/20/35/14/569203514.db2.gz PRSHUXFEVUMOLW-UHFFFAOYSA-N -1 1 437.421 5.696 50 0 IKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000002217086 569203777 /nfs/dbraw/zinc/20/37/77/569203777.db2.gz IUGINDNKDJYMII-UHFFFAOYSA-N -1 1 447.466 5.341 50 0 IKAAMM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000199017583 569209612 /nfs/dbraw/zinc/20/96/12/569209612.db2.gz PHRDLLPKIFNXDQ-IBGZPJMESA-N -1 1 447.434 5.736 50 0 IKAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000002231607 569210700 /nfs/dbraw/zinc/21/07/00/569210700.db2.gz CBXASVOCSAWITH-UHFFFAOYSA-N -1 1 433.895 5.339 50 0 IKAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000002238368 569212884 /nfs/dbraw/zinc/21/28/84/569212884.db2.gz LZSFIOJTLCEJLW-UHFFFAOYSA-N -1 1 427.504 5.303 50 0 IKAAMM CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1[O-] ZINC000002329196 569274430 /nfs/dbraw/zinc/27/44/30/569274430.db2.gz JXMKSHHMGWUGOP-UHFFFAOYSA-N -1 1 446.322 5.312 50 0 IKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000002351535 569282796 /nfs/dbraw/zinc/28/27/96/569282796.db2.gz OBIHVZIFRXPJMR-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/57/06/26/556570626.db2.gz SJQMGTWWNVPJQM-UHFFFAOYSA-N -1 1 445.997 5.476 50 0 IKAAMM COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(Cl)c(Br)c1[O-] ZINC000001130299 556573738 /nfs/dbraw/zinc/57/37/38/556573738.db2.gz FCVHDAUZRFDGAP-GFCCVEGCSA-N -1 1 432.701 5.444 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)cc1 ZINC000016310557 556599684 /nfs/dbraw/zinc/59/96/84/556599684.db2.gz XPCCAEIAXJJCNV-UHFFFAOYSA-N -1 1 442.540 5.715 50 0 IKAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C)s1 ZINC000033007768 556656436 /nfs/dbraw/zinc/65/64/36/556656436.db2.gz KCLQGJQLJNDYNV-UHFFFAOYSA-N -1 1 443.594 5.412 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3ncnc(C(F)(F)F)c3-c3ccccc3)c([O-])c2)cc1 ZINC000011866303 556666240 /nfs/dbraw/zinc/66/62/40/556666240.db2.gz WCZNWSGKWDTWAF-UHFFFAOYSA-N -1 1 448.444 6.757 50 0 IKAAMM COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Br)cc2)c([O-])c1 ZINC000011866391 556666451 /nfs/dbraw/zinc/66/64/51/556666451.db2.gz QYIWMUSYWSJUPR-UHFFFAOYSA-N -1 1 425.204 5.306 50 0 IKAAMM COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c1 ZINC000011866364 556666492 /nfs/dbraw/zinc/66/64/92/556666492.db2.gz XDTSAFUPGYPSTK-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000011866336 556666536 /nfs/dbraw/zinc/66/65/36/556666536.db2.gz XNTVGOPHJNHTAG-UHFFFAOYSA-N -1 1 443.503 5.510 50 0 IKAAMM Cc1nc(SCc2c(Cl)ccc(Cl)c2Cl)[n-]c(=O)c1Cc1ccccc1 ZINC000011905603 556670944 /nfs/dbraw/zinc/67/09/44/556670944.db2.gz UZUGBIQTKTYJDY-UHFFFAOYSA-N -1 1 425.768 5.922 50 0 IKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1 ZINC000018250127 556688213 /nfs/dbraw/zinc/68/82/13/556688213.db2.gz ORGDCOGGQPRDRU-UHFFFAOYSA-N -1 1 436.515 5.266 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000033025720 556701452 /nfs/dbraw/zinc/70/14/52/556701452.db2.gz CVMPHZCYDYHIOZ-UHFFFAOYSA-N -1 1 427.323 5.398 50 0 IKAAMM CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(OC)c(OC)c3)[n-]c1C(C)(C)S2 ZINC000136569031 556820443 /nfs/dbraw/zinc/82/04/43/556820443.db2.gz LPUGIFCQAAMHGX-UHFFFAOYSA-N -1 1 428.579 5.959 50 0 IKAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000033116526 556862494 /nfs/dbraw/zinc/86/24/94/556862494.db2.gz NCNLDWBIQKGLFC-UHFFFAOYSA-N -1 1 437.540 5.090 50 0 IKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033116540 556862528 /nfs/dbraw/zinc/86/25/28/556862528.db2.gz SPBMKJWLHOYXOT-UHFFFAOYSA-N -1 1 439.968 5.296 50 0 IKAAMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033116563 556862555 /nfs/dbraw/zinc/86/25/55/556862555.db2.gz PRQRXTZYNQZIIY-UHFFFAOYSA-N -1 1 425.941 5.111 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000033124001 556864306 /nfs/dbraw/zinc/86/43/06/556864306.db2.gz HCXCKZZBNWUVBS-UHFFFAOYSA-N -1 1 445.363 5.527 50 0 IKAAMM CC(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130304 556870080 /nfs/dbraw/zinc/87/00/80/556870080.db2.gz DZWCQMUTFHXFHT-UHFFFAOYSA-N -1 1 440.540 5.069 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(Cl)c4C)cc3)sc2c1 ZINC000033169217 556880668 /nfs/dbraw/zinc/88/06/68/556880668.db2.gz WJMUGBXIVSRMIZ-UHFFFAOYSA-N -1 1 444.965 5.735 50 0 IKAAMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169048 556881223 /nfs/dbraw/zinc/88/12/23/556881223.db2.gz IDXNUOGCEJOLCJ-UHFFFAOYSA-N -1 1 432.929 5.865 50 0 IKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169039 556881266 /nfs/dbraw/zinc/88/12/66/556881266.db2.gz RPCGWDYBFCDMMR-UHFFFAOYSA-N -1 1 428.966 6.034 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1 ZINC000033169189 556881412 /nfs/dbraw/zinc/88/14/12/556881412.db2.gz QVNJRBNOPBAFBM-UHFFFAOYSA-N -1 1 430.938 5.426 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)cc3Cl)sc2c1 ZINC000033169063 556881464 /nfs/dbraw/zinc/88/14/64/556881464.db2.gz HUSNVGOUQPQPFR-UHFFFAOYSA-N -1 1 442.993 6.343 50 0 IKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169249 556881875 /nfs/dbraw/zinc/88/18/75/556881875.db2.gz GWJGGGVGFOQLBZ-UHFFFAOYSA-N -1 1 442.949 5.620 50 0 IKAAMM CSc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1 ZINC000033173427 556883217 /nfs/dbraw/zinc/88/32/17/556883217.db2.gz KHCWCGZIIIBEHF-UHFFFAOYSA-N -1 1 428.457 5.192 50 0 IKAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173347 556883278 /nfs/dbraw/zinc/88/32/78/556883278.db2.gz NXHHDGPTGOPKFT-UHFFFAOYSA-N -1 1 430.835 5.431 50 0 IKAAMM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000033173846 556884032 /nfs/dbraw/zinc/88/40/32/556884032.db2.gz BZDFVZIEYRXOCM-UHFFFAOYSA-N -1 1 429.489 5.191 50 0 IKAAMM COc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c(C)o1 ZINC000023126199 557007906 /nfs/dbraw/zinc/00/79/06/557007906.db2.gz CZFZLMBBAFRNHB-UHFFFAOYSA-N -1 1 433.533 5.346 50 0 IKAAMM COc1cccc(-n2c3nc(SCc4cccc(Cl)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948251 557045937 /nfs/dbraw/zinc/04/59/37/557045937.db2.gz KQQGIWQNUFQLJF-UHFFFAOYSA-N -1 1 447.994 5.459 50 0 IKAAMM CCCCCCc1cc2cc(-c3csc(Nc4ccccc4F)n3)c(=O)oc2cc1[O-] ZINC000017269930 557048591 /nfs/dbraw/zinc/04/85/91/557048591.db2.gz FJDJEGLRYBZORJ-UHFFFAOYSA-N -1 1 438.524 6.628 50 0 biogenic IKAAMM Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000032948334 557055944 /nfs/dbraw/zinc/05/59/44/557055944.db2.gz ZJBJEOVTSRBRNJ-UHFFFAOYSA-N -1 1 431.995 5.759 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)c(C)c3)sc2c1 ZINC000033289298 557070939 /nfs/dbraw/zinc/07/09/39/557070939.db2.gz SJALFIPCCQBZCR-UHFFFAOYSA-N -1 1 438.574 5.698 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)sc2c1 ZINC000033289322 557071088 /nfs/dbraw/zinc/07/10/88/557071088.db2.gz VONBIPMRBYCYEL-UHFFFAOYSA-N -1 1 448.491 6.091 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000010916881 557099016 /nfs/dbraw/zinc/09/90/16/557099016.db2.gz QWECOAVCSCOEAC-UHFFFAOYSA-N -1 1 431.359 5.016 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCC1CCCCC1 ZINC000024759729 557135246 /nfs/dbraw/zinc/13/52/46/557135246.db2.gz PWHYPMPQEICKBE-UHFFFAOYSA-N -1 1 434.989 5.748 50 0 IKAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000011443602 557148331 /nfs/dbraw/zinc/14/83/31/557148331.db2.gz XDSMJZZSDSPRHS-JTQLQIEISA-N -1 1 430.580 5.015 50 0 IKAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011513555 557156824 /nfs/dbraw/zinc/15/68/24/557156824.db2.gz BMNYBVPSBFJQKZ-UHFFFAOYSA-N -1 1 442.953 5.754 50 0 IKAAMM COc1ccccc1Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000011518793 557156830 /nfs/dbraw/zinc/15/68/30/557156830.db2.gz PYSQFTCEZQZFFD-UHFFFAOYSA-N -1 1 446.532 5.356 50 0 IKAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)Nc1cccc(Cl)c1Cl ZINC000024752049 557162625 /nfs/dbraw/zinc/16/26/25/557162625.db2.gz RTRKMDKCBMVUOA-UHFFFAOYSA-N -1 1 448.375 5.249 50 0 IKAAMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000024778811 557167386 /nfs/dbraw/zinc/16/73/86/557167386.db2.gz RLGOJUQRUJHSNJ-UHFFFAOYSA-N -1 1 446.580 5.056 50 0 IKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccccc4)cc3Br)c2C(=O)C1 ZINC000000752701 557168236 /nfs/dbraw/zinc/16/82/36/557168236.db2.gz IFWIOPLERUOKRU-UHFFFAOYSA-N -1 1 448.338 5.151 50 0 IKAAMM Cc1ccccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000024980286 557185229 /nfs/dbraw/zinc/18/52/29/557185229.db2.gz RVKZYFRPOQYKCY-UHFFFAOYSA-N -1 1 449.359 5.284 50 0 IKAAMM O=C(Oc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 ZINC000003184972 557194257 /nfs/dbraw/zinc/19/42/57/557194257.db2.gz RIEGMEDSHCQEPF-UHFFFAOYSA-N -1 1 437.904 5.513 50 0 IKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072848 557233000 /nfs/dbraw/zinc/23/30/00/557233000.db2.gz QRZCDLQVESZWJZ-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072860 557233285 /nfs/dbraw/zinc/23/32/85/557233285.db2.gz JDZVHGBBPXSKJF-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM O=c1[n-]c(SCCOc2ccccc2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948318 557317693 /nfs/dbraw/zinc/31/76/93/557317693.db2.gz LYUQWYXIGJGAAX-UHFFFAOYSA-N -1 1 447.994 5.329 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1Cl ZINC000033289341 557332355 /nfs/dbraw/zinc/33/23/55/557332355.db2.gz DPSFQJACYMNJBZ-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000102925161 557409656 /nfs/dbraw/zinc/40/96/56/557409656.db2.gz ITDRVXPRQKGHKR-IBGZPJMESA-N -1 1 445.544 6.113 50 0 IKAAMM Cc1ccc(C(=O)Nc2ccc(-c3c(C(C)C)[n-]n(-c4ccc(C)cc4)c3=O)cc2)cc1 ZINC000103155618 557424508 /nfs/dbraw/zinc/42/45/08/557424508.db2.gz NVHVTBDRVFTFJS-UHFFFAOYSA-N -1 1 425.532 6.237 50 0 IKAAMM O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl ZINC000015906118 557466302 /nfs/dbraw/zinc/46/63/02/557466302.db2.gz URCYLZKABXHHDE-FMIVXFBMSA-N -1 1 447.343 5.446 50 0 IKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4OC)oc3C)n2)c1 ZINC000045924793 557549894 /nfs/dbraw/zinc/54/98/94/557549894.db2.gz WPYQBZLXTKOULP-UHFFFAOYSA-N -1 1 435.505 5.122 50 0 IKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000028703284 563061666 /nfs/dbraw/zinc/06/16/66/563061666.db2.gz YVKUMFSZMLLNJL-HYARGMPZSA-N -1 1 433.554 6.174 50 0 IKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000999925 568649805 /nfs/dbraw/zinc/64/98/05/568649805.db2.gz KBPCPCRFQSRDEQ-UHFFFAOYSA-N -1 1 431.517 5.593 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000006023354 568740219 /nfs/dbraw/zinc/74/02/19/568740219.db2.gz NPEUXSMVPWBZJU-SFHVURJKSA-N -1 1 439.621 6.682 50 0 IKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC000012541756 568744054 /nfs/dbraw/zinc/74/40/54/568744054.db2.gz QQTCXZULJRAQLG-UHFFFAOYSA-N -1 1 448.466 5.375 50 0 IKAAMM O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1[O-] ZINC000003671010 568754097 /nfs/dbraw/zinc/75/40/97/568754097.db2.gz IVTOVMABBYGDCU-UHFFFAOYSA-N -1 1 449.428 7.123 50 0 IKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)ccc1OC(C)C ZINC000085411783 568817979 /nfs/dbraw/zinc/81/79/79/568817979.db2.gz QNMCPILMAIXJHZ-OAQYLSRUSA-N -1 1 429.586 5.754 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000085411778 568818068 /nfs/dbraw/zinc/81/80/68/568818068.db2.gz GJTHFZUCXBAZTR-HXUWFJFHSA-N -1 1 427.957 5.876 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000085411758 568818112 /nfs/dbraw/zinc/81/81/12/568818112.db2.gz YCMTYKUDCAJKOE-HXUWFJFHSA-N -1 1 427.957 5.876 50 0 IKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccccc1F ZINC000085412300 568818408 /nfs/dbraw/zinc/81/84/08/568818408.db2.gz QQDWTAXNHYFUJY-OAQYLSRUSA-N -1 1 441.528 5.370 50 0 IKAAMM CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001514535 568839343 /nfs/dbraw/zinc/83/93/43/568839343.db2.gz HAZCROFMYAJNGW-QGZVFWFLSA-N -1 1 437.327 5.283 50 0 IKAAMM O=C(Oc1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[O-] ZINC000002163980 568842109 /nfs/dbraw/zinc/84/21/09/568842109.db2.gz NHDAZUXSEJSRFH-UHFFFAOYSA-N -1 1 438.888 5.251 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000012991472 568896331 /nfs/dbraw/zinc/89/63/31/568896331.db2.gz CLUTULRLKJVCCZ-CYBMUJFWSA-N -1 1 435.380 5.490 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000035671491 568897176 /nfs/dbraw/zinc/89/71/76/568897176.db2.gz OLLVSURQLZYXHU-UHFFFAOYSA-N -1 1 440.430 6.019 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccccc2F)s1 ZINC000035671360 568897210 /nfs/dbraw/zinc/89/72/10/568897210.db2.gz RBLMMJDLTSBMJH-UHFFFAOYSA-N -1 1 426.498 5.185 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SC/C=C/c2ccccc2)s1 ZINC000035671493 568897269 /nfs/dbraw/zinc/89/72/69/568897269.db2.gz BBRBQLPDSZCHQV-DHZHZOJOSA-N -1 1 434.546 5.559 50 0 IKAAMM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668059 568943068 /nfs/dbraw/zinc/94/30/68/568943068.db2.gz DUPNPKJBMGKIAM-UHFFFAOYSA-N -1 1 427.526 5.064 50 0 IKAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc(OC)c1 ZINC000064669947 568943398 /nfs/dbraw/zinc/94/33/98/568943398.db2.gz HMDICXSDZDYDOG-UHFFFAOYSA-N -1 1 432.567 5.060 50 0 IKAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000064669950 568943423 /nfs/dbraw/zinc/94/34/23/568943423.db2.gz PGARBGFOKBBPHP-UHFFFAOYSA-N -1 1 444.578 5.219 50 0 IKAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000064669995 568943705 /nfs/dbraw/zinc/94/37/05/568943705.db2.gz JRVGTTIQJAXIOT-UHFFFAOYSA-N -1 1 429.567 5.001 50 0 IKAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c(C)c1 ZINC000064845888 568971970 /nfs/dbraw/zinc/97/19/70/568971970.db2.gz DIHKVPYXEWDNDL-UHFFFAOYSA-N -1 1 447.626 5.592 50 0 IKAAMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862266 568974138 /nfs/dbraw/zinc/97/41/38/568974138.db2.gz VDJGWYPBTIKMIK-UHFFFAOYSA-N -1 1 441.597 5.016 50 0 IKAAMM Cc1nc(SCc2nc(-c3ccc(OC(C)C)cc3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000065330897 569137047 /nfs/dbraw/zinc/13/70/47/569137047.db2.gz XSCMINWMJGBDNX-UHFFFAOYSA-N -1 1 448.548 5.211 50 0 IKAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000065330972 569137101 /nfs/dbraw/zinc/13/71/01/569137101.db2.gz DBACYKPSXVGYNR-UHFFFAOYSA-N -1 1 446.410 5.090 50 0 IKAAMM CCOc1ccccc1-c1noc(CSc2nc(-c3cccc(Cl)c3)cc(=O)[n-]2)n1 ZINC000065330955 569137116 /nfs/dbraw/zinc/13/71/16/569137116.db2.gz XRQSSCCWSBLQGO-UHFFFAOYSA-N -1 1 440.912 5.244 50 0 IKAAMM COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000016841320 569163229 /nfs/dbraw/zinc/16/32/29/569163229.db2.gz BSNCQYNEMGTAHC-UHFFFAOYSA-N -1 1 435.505 5.122 50 0 IKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000002196910 569191527 /nfs/dbraw/zinc/19/15/27/569191527.db2.gz MJUZHWOLBBOTDE-UHFFFAOYSA-N -1 1 447.922 5.648 50 0 IKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000002202131 569192472 /nfs/dbraw/zinc/19/24/72/569192472.db2.gz ADGYYUPCWDRUPE-UHFFFAOYSA-N -1 1 433.895 5.339 50 0 IKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000002238892 569212823 /nfs/dbraw/zinc/21/28/23/569212823.db2.gz ACPMWNORQYWXKQ-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000002339265 569275029 /nfs/dbraw/zinc/27/50/29/569275029.db2.gz STZSELGIPNUQOC-UHFFFAOYSA-N -1 1 447.922 5.648 50 0 IKAAMM Cc1ccc(COc2ccc(-c3nc(N)nc(C)c3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000002365752 569288343 /nfs/dbraw/zinc/28/83/43/569288343.db2.gz AEHZCKCAZYZDRQ-UHFFFAOYSA-N -1 1 431.923 5.948 50 0 IKAAMM Cc1cc(-n2c3nc(SCC(=O)C(C)(C)C)[n-]c(=O)c3sc2=S)ccc1Cl ZINC000002452434 569305856 /nfs/dbraw/zinc/30/58/56/569305856.db2.gz ZGLNNPPIWKYIHF-UHFFFAOYSA-N -1 1 440.015 5.586 50 0 IKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(CC(C)C)cc4)c3)n2)cc1 ZINC000013359170 569313826 /nfs/dbraw/zinc/31/38/26/569313826.db2.gz LEMKSECSHIJYPO-UHFFFAOYSA-N -1 1 446.572 6.316 50 0 IKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000013359182 569313857 /nfs/dbraw/zinc/31/38/57/569313857.db2.gz RMKLQOOWWJJJGU-UHFFFAOYSA-N -1 1 432.545 6.241 50 0 IKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4cc(C)cc(C)c4)cc3)n2)c(C)c1 ZINC000013360691 569314048 /nfs/dbraw/zinc/31/40/48/569314048.db2.gz VEBFQZMITAEPIZ-UHFFFAOYSA-N -1 1 432.545 6.043 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 ZINC000078623870 569316693 /nfs/dbraw/zinc/31/66/93/569316693.db2.gz VMKSKKAWBKSMDJ-UHFFFAOYSA-N -1 1 434.439 5.067 50 0 IKAAMM CC1(C)SC(=S)N(Nc2ccccc2)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000096564693 569401265 /nfs/dbraw/zinc/40/12/65/569401265.db2.gz JCXUXWREPDYIBJ-IBGZPJMESA-N -1 1 438.578 5.528 50 0 IKAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c(C)c1 ZINC000002643184 569413926 /nfs/dbraw/zinc/41/39/26/569413926.db2.gz FGYDRBIICLAPDS-UHFFFAOYSA-N -1 1 444.556 5.439 50 0 IKAAMM Cc1ccc2oc(-c3cc(NC(=O)CCn4c5ccccc5oc4=S)ccc3[O-])nc2c1 ZINC000002923407 569425520 /nfs/dbraw/zinc/42/55/20/569425520.db2.gz LQXICYMNYNBIBH-UHFFFAOYSA-N -1 1 445.500 5.815 50 0 biogenic IKAAMM Cc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000003180539 569441352 /nfs/dbraw/zinc/44/13/52/569441352.db2.gz RSCOBFAOKOYBDO-UHFFFAOYSA-N -1 1 435.332 5.355 50 0 IKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)C1c2ccccc2-c2ccccc21 ZINC000059476768 569461611 /nfs/dbraw/zinc/46/16/11/569461611.db2.gz YUGZMEFITOPEMS-UHFFFAOYSA-N -1 1 434.520 6.420 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc2ccccc2c1 ZINC000008441593 569464506 /nfs/dbraw/zinc/46/45/06/569464506.db2.gz QLFDDEOKKPFZMU-UHFFFAOYSA-N -1 1 442.565 6.431 50 0 IKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C(F)(F)F)cc2)n1 ZINC000067297970 569468091 /nfs/dbraw/zinc/46/80/91/569468091.db2.gz DQDZHXXWWKBUDM-SLMZUGIISA-N -1 1 439.393 5.345 50 0 IKAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C(F)(F)F)c1 ZINC000008720271 569471617 /nfs/dbraw/zinc/47/16/17/569471617.db2.gz HENCWONAEYMTIM-UHFFFAOYSA-N -1 1 428.476 5.007 50 0 IKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1C ZINC000008857549 569479865 /nfs/dbraw/zinc/47/98/65/569479865.db2.gz JAONASINMYZOSW-HNNXBMFYSA-N -1 1 433.573 6.437 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008870330 569480538 /nfs/dbraw/zinc/48/05/38/569480538.db2.gz IHFCRBWHMHHWHV-UHFFFAOYSA-N -1 1 449.956 5.851 50 0 IKAAMM CCCCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N([O-])C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000008926013 569487157 /nfs/dbraw/zinc/48/71/57/569487157.db2.gz VIJRBCGJYRUDPI-QFIPXVFZSA-N -1 1 438.572 5.764 50 0 IKAAMM C[C@@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[n-]c(=O)c23)C1 ZINC000008952035 569489924 /nfs/dbraw/zinc/48/99/24/569489924.db2.gz KNGRNGMYTNAHKD-CQSZACIVSA-N -1 1 436.964 6.009 50 0 IKAAMM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2C1=O ZINC000008961159 569491014 /nfs/dbraw/zinc/49/10/14/569491014.db2.gz RFEFBICKYDBZLV-UHFFFAOYSA-N -1 1 442.924 5.222 50 0 IKAAMM Cc1cc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)ccc1Cl ZINC000008974158 569492888 /nfs/dbraw/zinc/49/28/88/569492888.db2.gz BVYOFFLDFIIEIV-UHFFFAOYSA-N -1 1 439.920 5.868 50 0 IKAAMM CCCCCCc1cc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2cc1[O-] ZINC000008994031 569495508 /nfs/dbraw/zinc/49/55/08/569495508.db2.gz DMCVYGRRQVUFJJ-UHFFFAOYSA-N -1 1 435.549 6.192 50 0 biogenic IKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000009058967 569499257 /nfs/dbraw/zinc/49/92/57/569499257.db2.gz CQHKEUBTASIISR-UHFFFAOYSA-N -1 1 434.879 5.883 50 0 IKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1[O-] ZINC000009130550 569506062 /nfs/dbraw/zinc/50/60/62/569506062.db2.gz QBYWBFYURYRQJW-UHFFFAOYSA-N -1 1 436.870 5.896 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccccc3OC)c([O-])c2)cc1 ZINC000009186368 569510179 /nfs/dbraw/zinc/51/01/79/569510179.db2.gz YTMYDUUNOAXRBI-UHFFFAOYSA-N -1 1 425.488 5.329 50 0 IKAAMM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1F)c1ccc(Br)o1 ZINC000009413915 569531872 /nfs/dbraw/zinc/53/18/72/569531872.db2.gz VJVGANMPTPWOSY-UHFFFAOYSA-N -1 1 443.228 5.432 50 0 IKAAMM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1ccc(Br)o1 ZINC000009414021 569531981 /nfs/dbraw/zinc/53/19/81/569531981.db2.gz TZGFOLPTUYBGFK-UHFFFAOYSA-N -1 1 443.228 5.432 50 0 IKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000009450733 569536326 /nfs/dbraw/zinc/53/63/26/569536326.db2.gz FDDUZCSLMWUVMZ-UHFFFAOYSA-N -1 1 435.886 5.778 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679574 569559891 /nfs/dbraw/zinc/55/98/91/569559891.db2.gz BWKNJTTYDQAHRI-JOCHJYFZSA-N -1 1 447.491 5.204 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009679574 569559892 /nfs/dbraw/zinc/55/98/92/569559892.db2.gz BWKNJTTYDQAHRI-JOCHJYFZSA-N -1 1 447.491 5.204 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009679524 569559971 /nfs/dbraw/zinc/55/99/71/569559971.db2.gz BSFFJRYVMFNPJD-DEOSSOPVSA-N -1 1 441.487 5.159 50 0 IKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705388 519442956 /nfs/dbraw/zinc/44/29/56/519442956.db2.gz KWRZHJAKDLPHGU-UHFFFAOYSA-N -1 1 433.533 5.403 50 0 IKAAMM CCOC(=O)C1=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)[N-]c2ccccc2N=C1CC ZINC000012529484 520508472 /nfs/dbraw/zinc/50/84/72/520508472.db2.gz WZBXFGSBZIXMSI-UHFFFAOYSA-N -1 1 447.322 5.498 50 0 IKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000015870235 524194246 /nfs/dbraw/zinc/19/42/46/524194246.db2.gz JOTKFABHRKQMNL-UHFFFAOYSA-N -1 1 443.594 5.233 50 0 IKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1 ZINC000012680388 524693802 /nfs/dbraw/zinc/69/38/02/524693802.db2.gz NCPJQKRUEYTSJQ-UHFFFAOYSA-N -1 1 449.576 5.038 50 0 IKAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021784515 525186385 /nfs/dbraw/zinc/18/63/85/525186385.db2.gz BVAZGUWTTIHCBQ-GOSISDBHSA-N -1 1 435.549 5.044 50 0 IKAAMM Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Br)ccc3[O-])oc2cc1C ZINC000022077459 525667054 /nfs/dbraw/zinc/66/70/54/525667054.db2.gz FSKLFJDJVGBCJC-UHFFFAOYSA-N -1 1 437.293 5.832 50 0 IKAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033441 527248923 /nfs/dbraw/zinc/24/89/23/527248923.db2.gz OCWMJKCVPFORLQ-UHFFFAOYSA-N -1 1 442.846 5.692 50 0 IKAAMM O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020523388 527253699 /nfs/dbraw/zinc/25/36/99/527253699.db2.gz JWWCGHMZEJBXGM-UHFFFAOYSA-N -1 1 435.933 5.089 50 0 IKAAMM O=S(=O)([N-]c1ccccc1NC(=S)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000013043452 527255729 /nfs/dbraw/zinc/25/57/29/527255729.db2.gz GOSSKRSDPNVNQS-UHFFFAOYSA-N -1 1 435.933 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446.503 5.546 50 0 IKAAMM Cc1ccccc1-c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000033130340 556870341 /nfs/dbraw/zinc/87/03/41/556870341.db2.gz PZUHSFHHGBTJNL-UHFFFAOYSA-N -1 1 442.540 5.715 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000033169049 556881121 /nfs/dbraw/zinc/88/11/21/556881121.db2.gz KPVIVGZIEZSTKV-UHFFFAOYSA-N -1 1 436.892 5.696 50 0 IKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169044 556881181 /nfs/dbraw/zinc/88/11/81/556881181.db2.gz RQFQWEOBOLZPGH-UHFFFAOYSA-N -1 1 442.993 6.541 50 0 IKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169051 556881427 /nfs/dbraw/zinc/88/14/27/556881427.db2.gz ZRRXZUMYNOAOEC-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1OC ZINC000033169118 556881472 /nfs/dbraw/zinc/88/14/72/556881472.db2.gz NTBMSAKDMUJZLA-UHFFFAOYSA-N -1 1 440.546 5.090 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc3)sc2c1 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COc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000032948674 557057471 /nfs/dbraw/zinc/05/74/71/557057471.db2.gz RGIIVAGXTQWCBE-UHFFFAOYSA-N -1 1 447.994 5.459 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3)sc2c1 ZINC000033289337 557070856 /nfs/dbraw/zinc/07/08/56/557070856.db2.gz YECJFFLJBUIYAF-UHFFFAOYSA-N -1 1 428.510 5.220 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)c(C)c3)sc2c1 ZINC000033289283 557070889 /nfs/dbraw/zinc/07/08/89/557070889.db2.gz IFTIMDGDWSZXID-UHFFFAOYSA-N -1 1 428.510 5.220 50 0 IKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000033299274 557077597 /nfs/dbraw/zinc/07/75/97/557077597.db2.gz XGAZGZYBRJSVPY-UHFFFAOYSA-N -1 1 430.473 5.456 50 0 IKAAMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001183028 557119945 /nfs/dbraw/zinc/11/99/45/557119945.db2.gz SWTNDJUPGHKYRN-UHFFFAOYSA-N -1 1 441.778 5.232 50 0 IKAAMM O=S(=O)([N-]c1cccc(-c2cn3ccsc3n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000000629374 557122408 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50 0 IKAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072849 557233320 /nfs/dbraw/zinc/23/33/20/557233320.db2.gz PVGXALYHMIIANX-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072879 557233364 /nfs/dbraw/zinc/23/33/64/557233364.db2.gz OEDITPFDJDYEFX-UHFFFAOYSA-N -1 1 449.075 5.576 50 0 IKAAMM COc1ccc(-c2cc3[n-]c(CN(C)Cc4ccc(SC)cc4)nc(=O)c3s2)cc1 ZINC000027351476 557260827 /nfs/dbraw/zinc/26/08/27/557260827.db2.gz AOPVZISZFAJDSM-UHFFFAOYSA-N -1 1 437.590 5.014 50 0 IKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=S ZINC000101495167 557289017 /nfs/dbraw/zinc/28/90/17/557289017.db2.gz KMCJCCUZYAJROK-IBGZPJMESA-N -1 1 437.590 5.769 50 0 IKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102707412 557367182 /nfs/dbraw/zinc/36/71/82/557367182.db2.gz CKHWGQAGHQQPTC-UODIDJSMSA-N -1 1 434.495 5.199 50 0 IKAAMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102707411 557367321 /nfs/dbraw/zinc/36/73/21/557367321.db2.gz CKHWGQAGHQQPTC-KKUQBAQOSA-N -1 1 434.495 5.199 50 0 IKAAMM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000045924672 557549839 /nfs/dbraw/zinc/54/98/39/557549839.db2.gz LXUXEMRGANWFRE-UHFFFAOYSA-N -1 1 444.343 6.412 50 0 IKAAMM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226984188 557811493 /nfs/dbraw/zinc/81/14/93/557811493.db2.gz YZORGGDPVBBSOO-RBZQAINGSA-N -1 1 446.934 5.262 50 0 IKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc21 ZINC000002497190 562928221 /nfs/dbraw/zinc/92/82/21/562928221.db2.gz AKDOTHBVBPITBB-UHFFFAOYSA-N -1 1 427.909 5.860 50 0 IKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(F)cc4)nc3c2)cc1 ZINC000003239982 562933177 /nfs/dbraw/zinc/93/31/77/562933177.db2.gz GFRMCHKENLBOCS-UHFFFAOYSA-N -1 1 444.509 5.069 50 0 IKAAMM Cc1cc(C)cc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)c1 ZINC000008831162 562964943 /nfs/dbraw/zinc/96/49/43/562964943.db2.gz NCUDVNZAZRQKIJ-UHFFFAOYSA-N -1 1 448.592 5.170 50 0 aggregator IKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000015055761 568635350 /nfs/dbraw/zinc/63/53/50/568635350.db2.gz XBQKRMFAKYUPCX-APSNUPSMSA-N -1 1 426.346 5.910 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Cl)c2)cc1 ZINC000000944074 568641888 /nfs/dbraw/zinc/64/18/88/568641888.db2.gz NZEVCCLBLGEOHB-UHFFFAOYSA-N -1 1 431.941 5.704 50 0 IKAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057262 568642183 /nfs/dbraw/zinc/64/21/83/568642183.db2.gz VQMYPPVXYBQQQE-LJQANCHMSA-N -1 1 449.576 5.024 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000001074046 568657644 /nfs/dbraw/zinc/65/76/44/568657644.db2.gz HHDKBBOQFBEUIL-UHFFFAOYSA-N -1 1 434.439 5.067 50 0 IKAAMM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001099438 568659135 /nfs/dbraw/zinc/65/91/35/568659135.db2.gz IFNCQBCYAPLIPC-UHFFFAOYSA-N -1 1 446.981 5.013 50 0 IKAAMM Cc1nc(SCc2nc(-c3ccc(Cl)c(F)c3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000044169043 568749077 /nfs/dbraw/zinc/74/90/77/568749077.db2.gz KEJNXQCBNLNFRP-UHFFFAOYSA-N -1 1 442.903 5.216 50 0 IKAAMM CSc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)c1 ZINC000019170811 568760396 /nfs/dbraw/zinc/76/03/96/568760396.db2.gz CGWGTCJBRDUXGY-UHFFFAOYSA-N -1 1 446.981 5.423 50 0 IKAAMM Cc1ccc(NC(=O)N([O-])[C@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 ZINC000001278391 568775982 /nfs/dbraw/zinc/77/59/82/568775982.db2.gz VJEBRRFJUZARAN-JOCHJYFZSA-N -1 1 436.556 5.516 50 0 IKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000001407713 568787323 /nfs/dbraw/zinc/78/73/23/568787323.db2.gz DSCCTLQRRFTYSE-HSZRJFAPSA-N -1 1 439.968 5.045 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000085411755 568818006 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FHQWKSGJCRTHJX-JOCHJYFZSA-N -1 1 430.508 5.157 50 0 IKAAMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000009251302 569515815 /nfs/dbraw/zinc/51/58/15/569515815.db2.gz JUNVVSRMNOAODH-UHFFFAOYSA-N -1 1 435.505 5.418 50 0 IKAAMM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000009320531 569522533 /nfs/dbraw/zinc/52/25/33/569522533.db2.gz VKKPTLMEGGYFCG-UHFFFAOYSA-N -1 1 435.954 5.273 50 0 IKAAMM CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000009344937 569524062 /nfs/dbraw/zinc/52/40/62/569524062.db2.gz MRIHBBBHHCWANO-UHFFFAOYSA-N -1 1 432.451 5.758 50 0 IKAAMM COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000009345680 569524131 /nfs/dbraw/zinc/52/41/31/569524131.db2.gz HESXKURXMADQIJ-UHFFFAOYSA-N -1 1 447.466 5.259 50 0 IKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000009410337 569531359 /nfs/dbraw/zinc/53/13/59/569531359.db2.gz UPQLGLHCCBNAPQ-UHFFFAOYSA-N -1 1 428.488 5.846 50 0 IKAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000009481726 569539504 /nfs/dbraw/zinc/53/95/04/569539504.db2.gz DNKLAWPSIYKGKP-UHFFFAOYSA-N -1 1 426.498 5.185 50 0 IKAAMM O=C(Cc1sc(Cc2nc3ccccc3s2)nc1[O-])Nc1ccc2ccccc2c1 ZINC000010275405 569580344 /nfs/dbraw/zinc/58/03/44/569580344.db2.gz RSAJSGRVOBZJJS-LJQANCHMSA-N -1 1 431.542 5.061 50 0 IKAAMM Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000009085855 132302182 /nfs/dbraw/zinc/30/21/82/132302182.db2.gz ZQQBWXNFGPEBLJ-QGZVFWFLSA-N -1 1 433.577 5.569 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705378 519045565 /nfs/dbraw/zinc/04/55/65/519045565.db2.gz BCJHYCPENQXXBT-UHFFFAOYSA-N -1 1 433.533 5.502 50 0 IKAAMM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033274870 519866494 /nfs/dbraw/zinc/86/64/94/519866494.db2.gz URUODFFAHCRGEB-UHFFFAOYSA-N -1 1 440.609 5.093 50 0 IKAAMM CCCCCCc1cc2cc(-c3cn4c5ccc(C)cc5sc4n3)c(=O)oc2cc1[O-] ZINC000020645661 520135766 /nfs/dbraw/zinc/13/57/66/520135766.db2.gz JQXIIXLBXOPUCA-UHFFFAOYSA-N -1 1 432.545 6.459 50 0 IKAAMM CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCCC1 ZINC000012523947 520236377 /nfs/dbraw/zinc/23/63/77/520236377.db2.gz XJQYSPCNUSZTIW-UHFFFAOYSA-N -1 1 426.460 5.025 50 0 IKAAMM CCCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OCCC ZINC000012741589 520390593 /nfs/dbraw/zinc/39/05/93/520390593.db2.gz GMRNDRBFBKYNLW-UHFFFAOYSA-N -1 1 440.569 5.132 50 0 IKAAMM CCn1cc(-c2cc(C(F)F)nc3sc4c(nc(-c5ccsc5)[n-]c4=O)c32)c(C)n1 ZINC000019638227 523298804 /nfs/dbraw/zinc/29/88/04/523298804.db2.gz QFCOZLABXLAXAH-UHFFFAOYSA-N -1 1 443.504 5.391 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000012760930 524114345 /nfs/dbraw/zinc/11/43/45/524114345.db2.gz WQOVVMZNYVOBKT-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(OC(C)C)cc2)CC(=O)N3)c1 ZINC000021784719 524462883 /nfs/dbraw/zinc/46/28/83/524462883.db2.gz YYFYJCJNBXIXSB-LJQANCHMSA-N -1 1 435.549 5.044 50 0 IKAAMM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1Cl ZINC000020990054 524688975 /nfs/dbraw/zinc/68/89/75/524688975.db2.gz VSTDFBMPIABOPX-UHFFFAOYSA-N -1 1 446.956 5.094 50 0 IKAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021784511 525185939 /nfs/dbraw/zinc/18/59/39/525185939.db2.gz BVAZGUWTTIHCBQ-SFHVURJKSA-N -1 1 435.549 5.044 50 0 IKAAMM Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)[N-]C1=O ZINC000017138623 525396389 /nfs/dbraw/zinc/39/63/89/525396389.db2.gz FPYPMIFTPVAAGV-VKIDYWOHSA-N -1 1 441.577 6.803 50 0 IKAAMM Cc1c(CNCc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000021024303 525724968 /nfs/dbraw/zinc/72/49/68/525724968.db2.gz HGXYNNUVYVGETR-UHFFFAOYSA-N -1 1 441.369 5.212 50 0 IKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000020568077 525778262 /nfs/dbraw/zinc/77/82/62/525778262.db2.gz NYASSOTUFCPHOD-UHFFFAOYSA-N -1 1 428.941 5.021 50 0 IKAAMM Cc1ccc(-c2csc(Cc3nc([O-])c(CC(=O)Nc4ccccc4C)s3)n2)cc1 ZINC000012793424 525779868 /nfs/dbraw/zinc/77/98/68/525779868.db2.gz OHJNFCSTBRNYDS-LJQANCHMSA-N -1 1 435.574 5.039 50 0 IKAAMM Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)c(C)c1 ZINC000021784256 525988035 /nfs/dbraw/zinc/98/80/35/525988035.db2.gz FXHBNXZIHHGLIY-QGZVFWFLSA-N -1 1 425.941 5.219 50 0 IKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2s1)C1CCCCC1 ZINC000015870262 527512171 /nfs/dbraw/zinc/51/21/71/527512171.db2.gz UBNGDKRBJZBABO-UHFFFAOYSA-N -1 1 449.985 5.269 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2cccc3c2c1CC3 ZINC000000629260 555514002 /nfs/dbraw/zinc/51/40/02/555514002.db2.gz PIQYZCVHBFURJI-UHFFFAOYSA-N -1 1 431.542 5.115 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000629268 555514061 /nfs/dbraw/zinc/51/40/61/555514061.db2.gz GUAYVWGQCZXZQX-UHFFFAOYSA-N -1 1 431.542 5.531 50 0 IKAAMM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000000847728 555569882 /nfs/dbraw/zinc/56/98/82/555569882.db2.gz BYQVQWDBWVSLOE-UHFFFAOYSA-N -1 1 439.295 5.186 50 0 IKAAMM O=S(=O)([N-]c1ccc(Oc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000000991940 555596834 /nfs/dbraw/zinc/59/68/34/555596834.db2.gz IDDMFIGNZORHGD-UHFFFAOYSA-N -1 1 425.509 6.586 50 0 IKAAMM Cc1csc2c1ncnc2Sc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001026532 555604366 /nfs/dbraw/zinc/60/43/66/555604366.db2.gz JMEVPGHSIXRYDU-UHFFFAOYSA-N -1 1 427.576 5.260 50 0 IKAAMM O=C(Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1[O-] ZINC000001041846 555610018 /nfs/dbraw/zinc/61/00/18/555610018.db2.gz MUZVEBBPPDRKRV-UHFFFAOYSA-N -1 1 432.332 5.760 50 0 IKAAMM O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Br)ccc1[O-] ZINC000001041793 555610031 /nfs/dbraw/zinc/61/00/31/555610031.db2.gz COYGLAHOQQLALN-UHFFFAOYSA-N -1 1 425.307 5.684 50 0 IKAAMM Cc1c(Cl)cccc1NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001062707 555617023 /nfs/dbraw/zinc/61/70/23/555617023.db2.gz ILXUFWQQRJBVAK-UHFFFAOYSA-N -1 1 435.863 5.145 50 0 biogenic IKAAMM Cc1c(Cl)cccc1NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001062707 555617026 /nfs/dbraw/zinc/61/70/26/555617026.db2.gz ILXUFWQQRJBVAK-UHFFFAOYSA-N -1 1 435.863 5.145 50 0 biogenic IKAAMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001069389 555620204 /nfs/dbraw/zinc/62/02/04/555620204.db2.gz DZPVDXBMWJTAHS-UHFFFAOYSA-N -1 1 436.320 5.438 50 0 IKAAMM CC(=O)N1c2ccccc2CCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000001095610 555627856 /nfs/dbraw/zinc/62/78/56/555627856.db2.gz RYZUCJLBOPVZMR-UHFFFAOYSA-N -1 1 442.540 5.424 50 0 IKAAMM O=S(=O)([N-]c1ccc(CSc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000001137763 555647811 /nfs/dbraw/zinc/64/78/11/555647811.db2.gz WIEPJFIFQMDDTH-UHFFFAOYSA-N -1 1 434.380 5.542 50 0 IKAAMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000001161375 555662154 /nfs/dbraw/zinc/66/21/54/555662154.db2.gz XGDKKQQRUXDVMM-UHFFFAOYSA-N -1 1 435.427 5.150 50 0 IKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000001166323 555664115 /nfs/dbraw/zinc/66/41/15/555664115.db2.gz MCWZMIDUVZXGBW-UHFFFAOYSA-N -1 1 439.464 5.216 50 0 IKAAMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cc2ccccc2o1 ZINC000001177055 555670219 /nfs/dbraw/zinc/67/02/19/555670219.db2.gz SEEBDXBRNCVZTH-UHFFFAOYSA-N -1 1 429.457 5.073 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Br)c2)c(C)c1 ZINC000001210024 555681892 /nfs/dbraw/zinc/68/18/92/555681892.db2.gz KSZGYGGMKADUAL-UHFFFAOYSA-N -1 1 448.338 5.132 50 0 IKAAMM CCc1ccc2oc(-c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3[O-])nc2c1 ZINC000001210790 555682212 /nfs/dbraw/zinc/68/22/12/555682212.db2.gz CORAMDDJSVJNBZ-UHFFFAOYSA-N -1 1 448.475 5.041 50 0 IKAAMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(Cl)cc1NC(=O)c1ccccc1 ZINC000001228919 555686276 /nfs/dbraw/zinc/68/62/76/555686276.db2.gz HGMVZNVLTVHNMX-UHFFFAOYSA-N -1 1 446.890 5.712 50 0 IKAAMM Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3[O-])nc2c1 ZINC000001818486 555718445 /nfs/dbraw/zinc/71/84/45/555718445.db2.gz OWMJSDPMNCHEIS-RUDMXATFSA-N -1 1 439.298 6.468 50 0 IKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)OC(C)C ZINC000002184763 555754993 /nfs/dbraw/zinc/75/49/93/555754993.db2.gz MZFNDIVELPINLO-UHFFFAOYSA-N -1 1 437.517 5.569 50 0 IKAAMM [O-]c1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc21 ZINC000002506658 555785237 /nfs/dbraw/zinc/78/52/37/555785237.db2.gz BRTBEAXHUYEXSY-UHFFFAOYSA-N -1 1 444.122 6.596 50 0 IKAAMM [O-]c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1Cl ZINC000002821803 555830123 /nfs/dbraw/zinc/83/01/23/555830123.db2.gz UBEWXGPHLXEUDC-NRFANRHFSA-N -1 1 448.935 5.693 50 0 IKAAMM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1 ZINC000002998511 555876969 /nfs/dbraw/zinc/87/69/69/555876969.db2.gz FPOZSRLDDFDDOD-UHFFFAOYSA-N -1 1 445.544 5.625 50 0 IKAAMM O=C([N-]c1nnc(SC/C=C/c2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000003016856 555880973 /nfs/dbraw/zinc/88/09/73/555880973.db2.gz LEWHEHWJPVGNMC-RMKNXTFCSA-N -1 1 444.006 6.464 50 0 IKAAMM CCCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006023430 556072442 /nfs/dbraw/zinc/07/24/42/556072442.db2.gz IFTQTIBCRQQXMJ-UHFFFAOYSA-N -1 1 448.592 5.558 50 0 IKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000006059802 556073256 /nfs/dbraw/zinc/07/32/56/556073256.db2.gz ABTZYGAATWMHJB-QGZVFWFLSA-N -1 1 433.573 6.635 50 0 IKAAMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000002762685 556135712 /nfs/dbraw/zinc/13/57/12/556135712.db2.gz UVPSSDRUHRDBOI-UHFFFAOYSA-N -1 1 436.320 5.438 50 0 IKAAMM COc1ccc(-c2n[n-]c(=S)n2C[C@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000002793185 556144676 /nfs/dbraw/zinc/14/46/76/556144676.db2.gz ZMMBRVWTGVBYCC-GOSISDBHSA-N -1 1 445.972 5.336 50 0 IKAAMM Cc1cc2nc(-c3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3[O-])oc2cc1C ZINC000008385099 556160869 /nfs/dbraw/zinc/16/08/69/556160869.db2.gz URACCCURZBPSGE-UHFFFAOYSA-N -1 1 448.931 6.938 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc21 ZINC000008439229 556175408 /nfs/dbraw/zinc/17/54/08/556175408.db2.gz CWAVLVMRPKQQPS-UHFFFAOYSA-N -1 1 429.538 5.451 50 0 IKAAMM Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Br)ccc3[O-])oc2c(C)c1 ZINC000009135192 556249285 /nfs/dbraw/zinc/24/92/85/556249285.db2.gz OEZDFAXBNVUDJT-UHFFFAOYSA-N -1 1 437.293 5.832 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(COCC(F)(F)C(F)F)cc2)cc1 ZINC000009526083 556297050 /nfs/dbraw/zinc/29/70/50/556297050.db2.gz BTHHBBQURPMXRC-UHFFFAOYSA-N -1 1 433.467 5.202 50 0 IKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(Br)cc1 ZINC000013898934 556330970 /nfs/dbraw/zinc/33/09/70/556330970.db2.gz ITLPRBJYZZCIBW-SXGWCWSVSA-N -1 1 436.352 5.366 50 0 IKAAMM CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[n-]c(=O)c23)C1 ZINC000013941839 556338935 /nfs/dbraw/zinc/33/89/35/556338935.db2.gz OWDIWCMLJNWJJP-CYBMUJFWSA-N -1 1 438.980 6.716 50 0 IKAAMM Cc1ccc([O-])c(C(=O)c2cc(-c3nnc(-c4ccc(Cl)cc4)o3)n(C3CCCC3)c2)c1 ZINC000013097519 556458228 /nfs/dbraw/zinc/45/82/28/556458228.db2.gz WANOCXCHXKONCF-UHFFFAOYSA-N -1 1 447.922 6.219 50 0 IKAAMM Cc1nc(SCc2c(Cl)cccc2Cl)[n-]c(=O)c1Cc1c(F)cccc1Cl ZINC000013468251 556507605 /nfs/dbraw/zinc/50/76/05/556507605.db2.gz AZUCHUDNGZUPPX-UHFFFAOYSA-N -1 1 443.758 6.473 50 0 IKAAMM CCCCCCc1cc2cc(C(=O)Nc3ccccc3Br)c(=O)oc2cc1[O-] ZINC000013633625 556540177 /nfs/dbraw/zinc/54/01/77/556540177.db2.gz XYHZJEBGJDMILP-UHFFFAOYSA-N -1 1 444.325 5.636 50 0 IKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000015869143 556559716 /nfs/dbraw/zinc/55/97/16/556559716.db2.gz XNLPBXAGALYZRL-UHFFFAOYSA-N -1 1 425.897 5.166 50 0 IKAAMM Cc1sc(-c2ccco2)nc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000072308008 556563626 /nfs/dbraw/zinc/56/36/26/556563626.db2.gz CPQMPDFDNNXMMQ-UHFFFAOYSA-N -1 1 449.513 5.034 50 0 IKAAMM O=C1c2ccccc2-c2c1cccc2[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000016213184 556591067 /nfs/dbraw/zinc/59/10/67/556591067.db2.gz LDTKQKRZDALXFN-UHFFFAOYSA-N -1 1 425.465 5.598 50 0 IKAAMM COc1cc2ccccc2cc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000033728976 556626831 /nfs/dbraw/zinc/62/68/31/556626831.db2.gz CPHJASJZNVKNFE-UHFFFAOYSA-N -1 1 442.496 5.170 50 0 IKAAMM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1)c1ccc(Br)o1 ZINC000011758389 556652760 /nfs/dbraw/zinc/65/27/60/556652760.db2.gz HXCFGZOBNGUVLM-UHFFFAOYSA-N -1 1 425.238 5.293 50 0 IKAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C)s1 ZINC000033007699 556656555 /nfs/dbraw/zinc/65/65/55/556656555.db2.gz LFMIJSUCHQSIMN-UHFFFAOYSA-N -1 1 431.583 5.052 50 0 IKAAMM CCc1c(C)scc1C(=O)Nn1c(=O)c2c([n-]c1=S)sc1c2CCCCCC1 ZINC000017098624 556663556 /nfs/dbraw/zinc/66/35/56/556663556.db2.gz GSESJHDNKJGYHM-UHFFFAOYSA-N -1 1 433.624 5.096 50 0 IKAAMM COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000011865071 556664629 /nfs/dbraw/zinc/66/46/29/556664629.db2.gz LYCHWCJXOUAOBI-UHFFFAOYSA-N -1 1 443.503 5.428 50 0 IKAAMM COc1ccc(Oc2c(C)nc(N)nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000011865072 556664636 /nfs/dbraw/zinc/66/46/36/556664636.db2.gz WZDIDEYNVACCCN-UHFFFAOYSA-N -1 1 429.476 5.120 50 0 IKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1OC ZINC000011866269 556666184 /nfs/dbraw/zinc/66/61/84/556666184.db2.gz TUVGTXRRFPMPOL-UHFFFAOYSA-N -1 1 428.488 5.421 50 0 IKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1OC ZINC000011866289 556666214 /nfs/dbraw/zinc/66/62/14/556666214.db2.gz XMLWXXSHUFIWPS-UHFFFAOYSA-N -1 1 442.515 5.729 50 0 IKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000011866297 556666223 /nfs/dbraw/zinc/66/62/23/556666223.db2.gz PCVMDDBOYTWQNR-UHFFFAOYSA-N -1 1 434.879 5.883 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3ncncc3Oc3ccccc3OCC)c([O-])c2)cc1 ZINC000011866355 556666562 /nfs/dbraw/zinc/66/65/62/556666562.db2.gz WNEYTTVOCJJYGP-UHFFFAOYSA-N -1 1 440.499 6.262 50 0 IKAAMM COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])c1 ZINC000011866366 556666609 /nfs/dbraw/zinc/66/66/09/556666609.db2.gz HTVNAGDYSBLZNT-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000002641959 556799973 /nfs/dbraw/zinc/79/99/73/556799973.db2.gz VWJZUNAEAFPPHP-UHFFFAOYSA-N -1 1 442.953 5.700 50 0 IKAAMM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000064450487 556824249 /nfs/dbraw/zinc/82/42/49/556824249.db2.gz CQRZNVWUKOMQNQ-UHFFFAOYSA-N -1 1 429.498 5.022 50 0 IKAAMM COc1ccc(CCn2c(=S)[n-]nc2C2c3ccccc3Oc3ccccc32)cc1OC ZINC000019643679 556838573 /nfs/dbraw/zinc/83/85/73/556838573.db2.gz OVDBFLASWOTVAJ-UHFFFAOYSA-N -1 1 445.544 5.486 50 0 IKAAMM COc1ccc(-c2nnc([N-]C(=O)c3sc4cccc(Cl)c4c3Cl)s2)cc1 ZINC000526052462 556848668 /nfs/dbraw/zinc/84/86/68/556848668.db2.gz QEKBGKFQUCNYSH-UHFFFAOYSA-N -1 1 436.345 5.988 50 0 IKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000033116546 556862337 /nfs/dbraw/zinc/86/23/37/556862337.db2.gz KGNGCSLKXASXAN-UHFFFAOYSA-N -1 1 437.540 5.090 50 0 IKAAMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130316 556870093 /nfs/dbraw/zinc/87/00/93/556870093.db2.gz XVSXZCWLPYJMLM-UHFFFAOYSA-N -1 1 434.561 5.217 50 0 IKAAMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033169038 556881239 /nfs/dbraw/zinc/88/12/39/556881239.db2.gz IIKJJNLDKSTZJH-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000033169108 556881384 /nfs/dbraw/zinc/88/13/84/556881384.db2.gz POWODCJMLRLFRO-UHFFFAOYSA-N -1 1 436.602 6.306 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)sc2c1 ZINC000033169067 556881540 /nfs/dbraw/zinc/88/15/40/556881540.db2.gz AMMFGDXWXSPNEE-UHFFFAOYSA-N -1 1 446.956 6.173 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)sc2c1 ZINC000033169072 556881563 /nfs/dbraw/zinc/88/15/63/556881563.db2.gz HRROAISSLHCHIX-UHFFFAOYSA-N -1 1 444.965 5.735 50 0 IKAAMM Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000033173401 556883229 /nfs/dbraw/zinc/88/32/29/556883229.db2.gz KILCPRYCXZVAQI-UHFFFAOYSA-N -1 1 430.835 5.431 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 ZINC000011264143 557015743 /nfs/dbraw/zinc/01/57/43/557015743.db2.gz YHYINTPNDDIVFC-UHFFFAOYSA-N -1 1 445.592 5.194 50 0 IKAAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2C)cc1 ZINC000001435850 557021003 /nfs/dbraw/zinc/02/10/03/557021003.db2.gz VXVCAXJSVUXFOO-JOCHJYFZSA-N -1 1 433.891 5.440 50 0 IKAAMM Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948322 557045909 /nfs/dbraw/zinc/04/59/09/557045909.db2.gz VPOUUSDIVNEQRS-UHFFFAOYSA-N -1 1 431.995 5.759 50 0 IKAAMM CCC(C)(C)[C@@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735781 557053914 /nfs/dbraw/zinc/05/39/14/557053914.db2.gz DSYFTFPCOMTHDI-GOSISDBHSA-N -1 1 425.594 6.392 50 0 IKAAMM Cc1ccccc1-n1c2nc(SCc3ccccc3Cl)[n-]c(=O)c2sc1=S ZINC000032948399 557054757 /nfs/dbraw/zinc/05/47/57/557054757.db2.gz GBMIOPKVNHCTEM-UHFFFAOYSA-N -1 1 431.995 5.759 50 0 IKAAMM O=c1[n-]c(SCc2c(F)cccc2Cl)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948507 557058727 /nfs/dbraw/zinc/05/87/27/557058727.db2.gz NRHNBGTXAMELJE-UHFFFAOYSA-N -1 1 435.958 5.590 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3Cl)sc2c1 ZINC000033289263 557070510 /nfs/dbraw/zinc/07/05/10/557070510.db2.gz RNWAFGVPPMEFEC-UHFFFAOYSA-N -1 1 428.966 6.034 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)cc(C)c4)cc3Cl)sc2c1 ZINC000033289266 557070971 /nfs/dbraw/zinc/07/09/71/557070971.db2.gz JXAUJQVFGMPEMN-UHFFFAOYSA-N -1 1 442.993 6.343 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(OC)cc4s3)cc2C)cc1 ZINC000033289286 557071071 /nfs/dbraw/zinc/07/10/71/557071071.db2.gz BGHCYNNROQDRBV-UHFFFAOYSA-N -1 1 440.546 5.090 50 0 IKAAMM Cc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c2)n1 ZINC000033297622 557073227 /nfs/dbraw/zinc/07/32/27/557073227.db2.gz ZRPCIJMZNUZMCI-UHFFFAOYSA-N -1 1 429.386 5.052 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(Cl)c1 ZINC000033297787 557073613 /nfs/dbraw/zinc/07/36/13/557073613.db2.gz UDVRNQCNLOLXEW-UHFFFAOYSA-N -1 1 427.016 5.932 50 0 IKAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C)n1 ZINC000033292539 557076054 /nfs/dbraw/zinc/07/60/54/557076054.db2.gz PQLWRJPNDCLYQE-UHFFFAOYSA-N -1 1 448.573 5.320 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 ZINC000011358297 557110970 /nfs/dbraw/zinc/11/09/70/557110970.db2.gz KEUYVSNQVINUIA-UHFFFAOYSA-N -1 1 435.578 5.295 50 0 IKAAMM CCCOc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1OCC ZINC000098086464 557122968 /nfs/dbraw/zinc/12/29/68/557122968.db2.gz WPUOCXNKFDGYIL-UHFFFAOYSA-N -1 1 439.562 5.359 50 0 IKAAMM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000024928609 557180832 /nfs/dbraw/zinc/18/08/32/557180832.db2.gz PHTABWPWHKQLMR-UHFFFAOYSA-N -1 1 449.359 5.284 50 0 IKAAMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)n1C1CC1 ZINC000024992368 557187989 /nfs/dbraw/zinc/18/79/89/557187989.db2.gz JDEUQTQRLFCQKJ-UHFFFAOYSA-N -1 1 443.956 5.146 50 0 IKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072992 557233157 /nfs/dbraw/zinc/23/31/57/557233157.db2.gz VVZQWHZNWUPVPZ-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072977 557233176 /nfs/dbraw/zinc/23/31/76/557233176.db2.gz XQOJUBPCZIZYTD-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000101248493 557298445 /nfs/dbraw/zinc/29/84/45/557298445.db2.gz UNPWUJZCWFCHDA-ZRBLBEILSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102703517 557366042 /nfs/dbraw/zinc/36/60/42/557366042.db2.gz FWPXXWJCAFWHHE-YTFSRNRJSA-N -1 1 432.907 5.008 50 0 IKAAMM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000102706572 557366400 /nfs/dbraw/zinc/36/64/00/557366400.db2.gz VCKMBHWNGBOGEH-UODIDJSMSA-N -1 1 434.495 5.199 50 0 IKAAMM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707026 557366802 /nfs/dbraw/zinc/36/68/02/557366802.db2.gz XDVFYFCTFGIXLK-CCDWMCETSA-N -1 1 438.458 5.030 50 0 IKAAMM O=C(c1ccc(Cl)cc1)[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000524730497 557369168 /nfs/dbraw/zinc/36/91/68/557369168.db2.gz LBDYFOPUCFKBSV-MRXNPFEDSA-N -1 1 446.842 5.095 50 0 biogenic IKAAMM O=C(Nc1ccccc1Cl)c1cc2ccc([O-])cc2o/c1=N\Nc1ccc(Cl)cc1 ZINC000050011496 557369392 /nfs/dbraw/zinc/36/93/92/557369392.db2.gz WGGNRXHSFYIZNM-QYQHSDTDSA-N -1 1 440.286 5.625 50 0 IKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000524731779 557370116 /nfs/dbraw/zinc/37/01/16/557370116.db2.gz KILAVLQXCNZKAJ-ZDUSSCGKSA-N -1 1 438.357 5.024 50 0 biogenic IKAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000045924681 557549832 /nfs/dbraw/zinc/54/98/32/557549832.db2.gz YTPMGNWGFSGSDK-UHFFFAOYSA-N -1 1 437.952 5.991 50 0 IKAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000226826006 557809443 /nfs/dbraw/zinc/80/94/43/557809443.db2.gz UNPWUJZCWFCHDA-DNVJHFABSA-N -1 1 432.907 5.008 50 0 IKAAMM CCOc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2)cc1 ZINC000013028008 562984278 /nfs/dbraw/zinc/98/42/78/562984278.db2.gz DGBQGAUCKZUSGL-UHFFFAOYSA-N -1 1 447.896 5.030 50 0 IKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057026 568642177 /nfs/dbraw/zinc/64/21/77/568642177.db2.gz KUTPDKBSZYAXJP-IBGZPJMESA-N -1 1 449.576 5.024 50 0 IKAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057144 568642525 /nfs/dbraw/zinc/64/25/25/568642525.db2.gz JFCKRHPBVAPAFM-LJQANCHMSA-N -1 1 449.576 5.024 50 0 IKAAMM Cc1ccc(/C=C(/c2nnc([N-]c3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000082087227 568735141 /nfs/dbraw/zinc/73/51/41/568735141.db2.gz ZARHCFLADLYWLL-JWGURIENSA-N -1 1 431.517 5.402 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 ZINC000003368339 568747766 /nfs/dbraw/zinc/74/77/66/568747766.db2.gz WQEQOWSYTILFID-UHFFFAOYSA-N -1 1 449.528 5.461 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cc21 ZINC000003368388 568747785 /nfs/dbraw/zinc/74/77/85/568747785.db2.gz CCVBJKBAICCTBD-UHFFFAOYSA-N -1 1 449.956 5.851 50 0 IKAAMM Cc1ccc(NC(=O)N([O-])[C@@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 ZINC000001278390 568776007 /nfs/dbraw/zinc/77/60/07/568776007.db2.gz VJEBRRFJUZARAN-QFIPXVFZSA-N -1 1 436.556 5.516 50 0 IKAAMM O=S(=O)([N-]c1cccc(COCc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000001405925 568787147 /nfs/dbraw/zinc/78/71/47/568787147.db2.gz IWVZUUMNBJAZMF-UHFFFAOYSA-N -1 1 439.430 5.362 50 0 IKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000001445196 568816134 /nfs/dbraw/zinc/81/61/34/568816134.db2.gz PWDKENAYFQNPIK-QHCPKHFHSA-N -1 1 448.567 5.847 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000085411774 568818123 /nfs/dbraw/zinc/81/81/23/568818123.db2.gz GJTHFZUCXBAZTR-FQEVSTJZSA-N -1 1 427.957 5.876 50 0 IKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2ccc(C)cc2)no1 ZINC000085654774 568834121 /nfs/dbraw/zinc/83/41/21/568834121.db2.gz ZHFLJRWEUPSGIO-UHFFFAOYSA-N -1 1 445.500 5.567 50 0 IKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2s1)c1ccccc1 ZINC000015870194 568851774 /nfs/dbraw/zinc/85/17/74/568851774.db2.gz UPNXNLKAGOTGMF-UHFFFAOYSA-N -1 1 443.937 5.003 50 0 IKAAMM Cc1c([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n[nH]c1-c1ccncc1 ZINC000089547772 568937257 /nfs/dbraw/zinc/93/72/57/568937257.db2.gz ROWQSAOOHAWNGG-UHFFFAOYSA-N -1 1 440.912 5.027 50 0 IKAAMM Cc1c(S(=O)(=O)[N-]c2ccccc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668152 568943036 /nfs/dbraw/zinc/94/30/36/568943036.db2.gz JTWOHQKRPUVSQW-UHFFFAOYSA-N -1 1 427.526 5.064 50 0 IKAAMM Cc1c(S(=O)(=O)[N-]c2cccc(C)c2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668150 568943175 /nfs/dbraw/zinc/94/31/75/568943175.db2.gz RIEVPLPZXXEIDY-UHFFFAOYSA-N -1 1 441.553 5.372 50 0 IKAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1Cl ZINC000064669990 568943485 /nfs/dbraw/zinc/94/34/85/568943485.db2.gz MKIWCMRLXCHVPC-UHFFFAOYSA-N -1 1 436.986 5.705 50 0 IKAAMM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2F)on1 ZINC000064845440 568971940 /nfs/dbraw/zinc/97/19/40/568971940.db2.gz WTWQNHPMEULSDE-UHFFFAOYSA-N -1 1 445.335 5.031 50 0 IKAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c(C)c1 ZINC000064845606 568972078 /nfs/dbraw/zinc/97/20/78/568972078.db2.gz DSYSAZNPAKKHFN-UHFFFAOYSA-N -1 1 433.599 5.284 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000036358661 569085287 /nfs/dbraw/zinc/08/52/87/569085287.db2.gz JIPXZEMRCNSSAD-UHFFFAOYSA-N -1 1 431.835 5.761 50 0 IKAAMM CCOc1cccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)c1 ZINC000065330981 569137037 /nfs/dbraw/zinc/13/70/37/569137037.db2.gz VJXPVZSOURZQNP-UHFFFAOYSA-N -1 1 440.912 5.244 50 0 IKAAMM COc1ccc(-c2nc(CSc3nc(-c4cccc(OC)c4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000016840826 569163225 /nfs/dbraw/zinc/16/32/25/569163225.db2.gz HQIFNPANIGVULJ-UHFFFAOYSA-N -1 1 435.505 5.122 50 0 IKAAMM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013928 569170859 /nfs/dbraw/zinc/17/08/59/569170859.db2.gz NGVYILJBEIVUDQ-UHFFFAOYSA-N -1 1 449.511 5.212 50 0 IKAAMM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000008985821 569174759 /nfs/dbraw/zinc/17/47/59/569174759.db2.gz LQSBJXZKXJMVIH-LICLKQGHSA-N -1 1 446.503 5.432 50 0 IKAAMM CCCCCCc1cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2cc1[O-] ZINC000002181936 569190371 /nfs/dbraw/zinc/19/03/71/569190371.db2.gz NCQXBPRUJUYUEL-UHFFFAOYSA-N -1 1 444.325 5.636 50 0 IKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])n1 ZINC000002206128 569193416 /nfs/dbraw/zinc/19/34/16/569193416.db2.gz CMRDAROLMITUHS-UHFFFAOYSA-N -1 1 438.314 5.984 50 0 IKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000002223995 569204692 /nfs/dbraw/zinc/20/46/92/569204692.db2.gz BZXXHYUTGOKHGS-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000198439180 569209358 /nfs/dbraw/zinc/20/93/58/569209358.db2.gz PHRDLLPKIFNXDQ-LJQANCHMSA-N -1 1 447.434 5.736 50 0 IKAAMM O=C(CCn1c2ccccc2oc1=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000002923406 569211318 /nfs/dbraw/zinc/21/13/18/569211318.db2.gz RJCVUKNRGBBBBH-UHFFFAOYSA-N -1 1 431.473 5.506 50 0 IKAAMM COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)c1 ZINC000253410297 569265751 /nfs/dbraw/zinc/26/57/51/569265751.db2.gz NEAQKEYQXPADDA-QGZVFWFLSA-N -1 1 448.858 5.269 50 0 biogenic IKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000002329334 569274466 /nfs/dbraw/zinc/27/44/66/569274466.db2.gz FURRXROMOYHUTQ-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1OC ZINC000002429980 569302993 /nfs/dbraw/zinc/30/29/93/569302993.db2.gz GAIFQJUMMQVZQQ-UHFFFAOYSA-N -1 1 432.451 5.252 50 0 IKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000002443573 569304272 /nfs/dbraw/zinc/30/42/72/569304272.db2.gz FBRDJNPHTZVYQO-UHFFFAOYSA-N -1 1 427.504 5.303 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000002443959 569304359 /nfs/dbraw/zinc/30/43/59/569304359.db2.gz KCPUKMLXYZUJKD-UHFFFAOYSA-N -1 1 429.907 5.974 50 0 IKAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2)cs1 ZINC000013358043 569313770 /nfs/dbraw/zinc/31/37/70/569313770.db2.gz ZGQYFRNHJSUWPE-UHFFFAOYSA-N -1 1 437.384 5.299 50 0 IKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1 ZINC000013359152 569313886 /nfs/dbraw/zinc/31/38/86/569313886.db2.gz IQZLXOQTMPZJCU-UHFFFAOYSA-N -1 1 446.572 6.415 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360676 569313978 /nfs/dbraw/zinc/31/39/78/569313978.db2.gz JKVINYLUIRYUPM-UHFFFAOYSA-N -1 1 432.545 5.989 50 0 IKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360700 569314036 /nfs/dbraw/zinc/31/40/36/569314036.db2.gz ZOWQALVPJDBSKG-UHFFFAOYSA-N -1 1 446.572 6.379 50 0 IKAAMM CC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000096576605 569401395 /nfs/dbraw/zinc/40/13/95/569401395.db2.gz WWBJVYZTTKZOHY-UHFFFAOYSA-N -1 1 444.512 5.096 50 0 IKAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)c1C ZINC000003653584 569455677 /nfs/dbraw/zinc/45/56/77/569455677.db2.gz ZGAFLMFYFKRXNE-UHFFFAOYSA-N -1 1 441.574 5.723 50 0 IKAAMM Cc1nc2ccccc2c2nc([N-]C(=O)c3sc4cccc(Cl)c4c3Cl)nn21 ZINC000003667930 569456036 /nfs/dbraw/zinc/45/60/36/569456036.db2.gz XIULDGSNOPQDMK-UHFFFAOYSA-N -1 1 428.304 5.360 50 0 IKAAMM COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000032461018 569461820 /nfs/dbraw/zinc/46/18/20/569461820.db2.gz OEWDSUKIIYHZPM-NRFANRHFSA-N -1 1 436.581 5.069 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c3c(cccc31)CC2 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IKAAMM C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[n-]c(=O)c21 ZINC000008927602 569487307 /nfs/dbraw/zinc/48/73/07/569487307.db2.gz CAEXUQRJYCOYCC-HHHXNRCGSA-N -1 1 446.616 6.002 50 0 IKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934189 569487908 /nfs/dbraw/zinc/48/79/08/569487908.db2.gz LUJLJNXUWBUNPH-JOCHJYFZSA-N -1 1 448.498 5.296 50 0 IKAAMM COc1cc(Br)cc2c1Oc1nc(-c3ccc(C(C)C)cc3)[n-]c(=O)c1C2 ZINC000009290441 569519758 /nfs/dbraw/zinc/51/97/58/569519758.db2.gz RMTJWGHSJPUJBO-UHFFFAOYSA-N -1 1 427.298 5.028 50 0 IKAAMM CCCCCCc1cc2cc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c(=O)oc2cc1[O-] ZINC000069871452 569522078 /nfs/dbraw/zinc/52/20/78/569522078.db2.gz HTVMLBOIAMAFPB-UHFFFAOYSA-N -1 1 446.547 6.636 50 0 IKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1C ZINC000009355981 569525357 /nfs/dbraw/zinc/52/53/57/569525357.db2.gz ACWLKPGWSOHMKZ-UHFFFAOYSA-N -1 1 449.359 5.663 50 0 IKAAMM Cc1ccccc1COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c([O-])c1 ZINC000009409513 569531089 /nfs/dbraw/zinc/53/10/89/569531089.db2.gz XCWHYBUUYIWGKQ-UHFFFAOYSA-N -1 1 447.332 6.166 50 0 IKAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000009410071 569531244 /nfs/dbraw/zinc/53/12/44/569531244.db2.gz RAOKSQLNKAEKIK-UHFFFAOYSA-N -1 1 433.895 5.339 50 0 IKAAMM CSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000009431752 569534229 /nfs/dbraw/zinc/53/42/29/569534229.db2.gz KSVPHAYFSFEPMA-UHFFFAOYSA-N -1 1 438.896 5.103 50 0 IKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1 ZINC000009431836 569534326 /nfs/dbraw/zinc/53/43/26/569534326.db2.gz HXDRZXWVTSVRFS-UHFFFAOYSA-N -1 1 438.003 5.028 50 0 IKAAMM Cc1ccccc1-c1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009572641 569547788 /nfs/dbraw/zinc/54/77/88/569547788.db2.gz AJLGSTQUWRWCFT-UHFFFAOYSA-N -1 1 425.893 5.223 50 0 IKAAMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1 ZINC000009660256 569556729 /nfs/dbraw/zinc/55/67/29/569556729.db2.gz QBBZUQLFHKVAQL-QYQHSDTDSA-N 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CC1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000020900630 520992225 /nfs/dbraw/zinc/99/22/25/520992225.db2.gz VOJSZGBPMZOSOT-UHFFFAOYSA-N -1 1 435.505 5.274 50 0 IKAAMM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=S)[N-]C3=O)c1C)CCCC2 ZINC000017162922 521414931 /nfs/dbraw/zinc/41/49/31/521414931.db2.gz RSLLSIIKDVVSHF-MHWRWJLKSA-N -1 1 446.619 5.540 50 0 IKAAMM CCCN(CCC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000020900611 521643323 /nfs/dbraw/zinc/64/33/23/521643323.db2.gz LKEMKSVIUZSISR-UHFFFAOYSA-N -1 1 437.521 5.664 50 0 IKAAMM CCCN(CCC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000021525829 521643398 /nfs/dbraw/zinc/64/33/98/521643398.db2.gz AFCBJEOORGWKFM-UHFFFAOYSA-N -1 1 449.482 5.741 50 0 IKAAMM CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020573312 522038416 /nfs/dbraw/zinc/03/84/16/522038416.db2.gz ICTYOAUBCHBCQI-KRWDZBQOSA-N -1 1 439.606 5.810 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1 ZINC000012901054 524116230 /nfs/dbraw/zinc/11/62/30/524116230.db2.gz PXXBRKGHDLWVRK-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM Cc1ccc(C)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000012772921 524138666 /nfs/dbraw/zinc/13/86/66/524138666.db2.gz MXOIEPPIRHGJHP-UHFFFAOYSA-N -1 1 444.556 5.439 50 0 IKAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccccc2OC(C)C)CC(=O)N3)c1 ZINC000021784507 524463224 /nfs/dbraw/zinc/46/32/24/524463224.db2.gz OXDYFAPGQYHOCQ-GOSISDBHSA-N -1 1 435.549 5.044 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1 ZINC000015870250 525611970 /nfs/dbraw/zinc/61/19/70/525611970.db2.gz GCVDOEZMIIIUPF-UHFFFAOYSA-N -1 1 443.594 5.233 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000012858073 525787182 /nfs/dbraw/zinc/78/71/82/525787182.db2.gz FWYJUYQRIJDRMN-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)c(C)c1 ZINC000021784249 525988309 /nfs/dbraw/zinc/98/83/09/525988309.db2.gz DACHHELQZQZFSV-QGZVFWFLSA-N -1 1 425.941 5.219 50 0 IKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1ccc(F)cc1 ZINC000015906137 527130363 /nfs/dbraw/zinc/13/03/63/527130363.db2.gz KZGVVUBQIQVATP-UHFFFAOYSA-N -1 1 439.295 5.186 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020739255 527235304 /nfs/dbraw/zinc/23/53/04/527235304.db2.gz WJCRQUXJGUTJQC-UHFFFAOYSA-N -1 1 431.835 5.761 50 0 IKAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532627 527248889 /nfs/dbraw/zinc/24/88/89/527248889.db2.gz JKAJJVAIPBEGIW-UHFFFAOYSA-N -1 1 428.863 5.520 50 0 IKAAMM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc2c(c1)CCCC2 ZINC000021711452 527252009 /nfs/dbraw/zinc/25/20/09/527252009.db2.gz GMAFWTPHEAOTSG-UHFFFAOYSA-N -1 1 431.517 5.083 50 0 IKAAMM O=C(Nc1cccc(Cl)c1Cl)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1 ZINC000012463743 527346464 /nfs/dbraw/zinc/34/64/64/527346464.db2.gz LZHRBDGLHJDCNC-QYQHSDTDSA-N -1 1 440.286 5.625 50 0 IKAAMM O=C1[N-]C(=S)SC1=Cc1cc(Cl)ccc1OCCOCCOc1ccccc1 ZINC000020530004 527514891 /nfs/dbraw/zinc/51/48/91/527514891.db2.gz WIJBWPRJKXYKCZ-AQTBWJFISA-N -1 1 435.954 5.144 50 0 IKAAMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1sc2cc(F)ccc2c1Cl ZINC000020836401 527536686 /nfs/dbraw/zinc/53/66/86/527536686.db2.gz PJTSGSBLOZULEE-UHFFFAOYSA-N -1 1 435.958 6.090 50 0 IKAAMM O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000000722730 555550441 /nfs/dbraw/zinc/55/04/41/555550441.db2.gz VANKDHAUOYRUAM-KPKJPENVSA-N -1 1 435.277 5.615 50 0 IKAAMM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3c2C(=O)C1 ZINC000000751877 555553607 /nfs/dbraw/zinc/55/36/07/555553607.db2.gz HUZZDOMFZJOHFB-UHFFFAOYSA-N -1 1 448.338 5.151 50 0 IKAAMM O=C(C=Cc1nc2ccccc2s1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009467981 555576246 /nfs/dbraw/zinc/57/62/46/555576246.db2.gz BWPLCWKOWKEPQY-ZHACJKMWSA-N -1 1 445.525 5.018 50 0 IKAAMM CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 ZINC000000944093 555587718 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444.512 5.532 50 0 IKAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)c1C ZINC000001122394 555638513 /nfs/dbraw/zinc/63/85/13/555638513.db2.gz BKJGWFKWRWCHHK-UHFFFAOYSA-N -1 1 428.598 5.028 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1 ZINC000001169882 555665877 /nfs/dbraw/zinc/66/58/77/555665877.db2.gz SLWXJYLHRFLHKY-UHFFFAOYSA-N -1 1 426.950 5.931 50 0 IKAAMM COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1Cl ZINC000001207283 555680940 /nfs/dbraw/zinc/68/09/40/555680940.db2.gz HWPLGYNEUOLPHS-UHFFFAOYSA-N -1 1 429.259 5.768 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cc(Br)ccc1Cl ZINC000001209799 555681816 /nfs/dbraw/zinc/68/18/16/555681816.db2.gz XOEWENJUJROPAT-UHFFFAOYSA-N -1 1 443.684 5.869 50 0 IKAAMM COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000001408965 555693988 /nfs/dbraw/zinc/69/39/88/555693988.db2.gz SVVGXUXJVZXOTF-RUZDIDTESA-N -1 1 448.519 5.353 50 0 IKAAMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501375 555702219 /nfs/dbraw/zinc/70/22/19/555702219.db2.gz FUMCGWZCKDJTCK-UHFFFAOYSA-N -1 1 427.595 5.343 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)cc1 ZINC000001773943 555713976 /nfs/dbraw/zinc/71/39/76/555713976.db2.gz UTWTVTCBYWNARU-UHFFFAOYSA-N -1 1 433.573 6.563 50 0 IKAAMM Cc1ccccc1[C@@H]1c2ccccc2OC(c2cccs2)=C1C=C1SC(=S)[N-]C1=O ZINC000002054395 555729823 /nfs/dbraw/zinc/72/98/23/555729823.db2.gz RWBUMFPLCDRAEN-NNVROAHOSA-N -1 1 447.606 6.864 50 0 IKAAMM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000002184814 555754830 /nfs/dbraw/zinc/75/48/30/555754830.db2.gz FHBYBMTVKFCQBR-UHFFFAOYSA-N -1 1 429.538 5.622 50 0 IKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000002184803 555755009 /nfs/dbraw/zinc/75/50/09/555755009.db2.gz PUBFPGMRGYRKEK-SFHVURJKSA-N -1 1 447.600 6.928 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000002483517 555783897 /nfs/dbraw/zinc/78/38/97/555783897.db2.gz IGVXMFAGMDUSNO-UHFFFAOYSA-N -1 1 437.517 5.489 50 0 IKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(F)cc3)c3ccccc23)c1C(=O)OC(C)C ZINC000002484245 555783923 /nfs/dbraw/zinc/78/39/23/555783923.db2.gz LFPFXZHVIJCDSN-UHFFFAOYSA-N -1 1 441.480 5.400 50 0 IKAAMM O=C([O-])c1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002490191 555784145 /nfs/dbraw/zinc/78/41/45/555784145.db2.gz XDGGPEOGVGKEHB-UHFFFAOYSA-N -1 1 444.490 6.340 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc21 ZINC000002497236 555784593 /nfs/dbraw/zinc/78/45/93/555784593.db2.gz TYFYARNDKJALHQ-UHFFFAOYSA-N -1 1 427.453 5.011 50 0 IKAAMM CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000002819917 555829792 /nfs/dbraw/zinc/82/97/92/555829792.db2.gz YZYAPTMNHQOFKA-UHFFFAOYSA-N -1 1 446.174 5.582 50 0 IKAAMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1Cl ZINC000002879625 555854279 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PUBFPGMRGYRKEK-GOSISDBHSA-N -1 1 447.600 6.928 50 0 IKAAMM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C(C)C)c1 ZINC000002941703 556151338 /nfs/dbraw/zinc/15/13/38/556151338.db2.gz RUCDFXQWJHJWOC-UHFFFAOYSA-N -1 1 427.532 6.876 50 0 IKAAMM CCCCCCc1cc2cc(-c3cn4c5ccc(OC)cc5sc4n3)c(=O)oc2cc1[O-] ZINC000008441045 556176833 /nfs/dbraw/zinc/17/68/33/556176833.db2.gz KUBYSIYOOYVPPQ-UHFFFAOYSA-N -1 1 448.544 6.159 50 0 IKAAMM Cc1nc(SCc2c(F)cccc2Cl)[n-]c(=O)c1Cc1c(F)cccc1Cl ZINC000008648032 556195708 /nfs/dbraw/zinc/19/57/08/556195708.db2.gz XIQLNEGRTAXBJC-UHFFFAOYSA-N -1 1 427.303 5.959 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccccc4)c(C(C)=O)c3c2)cc1 ZINC000008765713 556212374 /nfs/dbraw/zinc/21/23/74/556212374.db2.gz BLHULRBTNLYVHQ-UHFFFAOYSA-N -1 1 435.501 5.502 50 0 IKAAMM Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)cc1 ZINC000009380146 556287033 /nfs/dbraw/zinc/28/70/33/556287033.db2.gz HFPWOBRGXLQVBE-UHFFFAOYSA-N -1 1 434.546 5.012 50 0 IKAAMM Cc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)o1 ZINC000009601506 556302431 /nfs/dbraw/zinc/30/24/31/556302431.db2.gz XYHXGGRCXFEABW-UHFFFAOYSA-N -1 1 440.503 5.168 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013896639 556329577 /nfs/dbraw/zinc/32/95/77/556329577.db2.gz CKEFQARBMOSLDF-UHFFFAOYSA-N -1 1 449.359 5.033 50 0 IKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000013936082 556335966 /nfs/dbraw/zinc/33/59/66/556335966.db2.gz JPHGCVUSEFWXLW-UHFFFAOYSA-N -1 1 435.933 5.089 50 0 IKAAMM Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C ZINC000013936103 556336015 /nfs/dbraw/zinc/33/60/15/556336015.db2.gz ITMMOKRZYZZEHV-UHFFFAOYSA-N -1 1 445.997 5.567 50 0 IKAAMM COc1ccc(Cl)cc1-c1n[nH]c(SCc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC000012985895 556426727 /nfs/dbraw/zinc/42/67/27/556426727.db2.gz HYERJGSVCPQPLY-UHFFFAOYSA-N -1 1 449.916 5.478 50 0 IKAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccccc2F)s1 ZINC000013120573 556472560 /nfs/dbraw/zinc/47/25/60/556472560.db2.gz HXHXSLQEZFFNDU-UHFFFAOYSA-N -1 1 426.498 5.185 50 0 IKAAMM CCCCCCc1cc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2cc1[O-] ZINC000004421767 556508526 /nfs/dbraw/zinc/50/85/26/556508526.db2.gz NXNPQTDOCKCZLN-UHFFFAOYSA-N -1 1 439.512 6.023 50 0 biogenic IKAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000032901469 556535055 /nfs/dbraw/zinc/53/50/55/556535055.db2.gz CEIDNOOLDNVGRC-UHFFFAOYSA-N -1 1 448.375 5.249 50 0 IKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)C1CCCCC1 ZINC000015906472 556562875 /nfs/dbraw/zinc/56/28/75/556562875.db2.gz RJKNWBVFPYXRMK-UHFFFAOYSA-N -1 1 427.353 5.313 50 0 IKAAMM CCOc1cc(OCC)cc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000022135474 556577921 /nfs/dbraw/zinc/57/79/21/556577921.db2.gz YWLKCOZOAUGENJ-UHFFFAOYSA-N -1 1 446.503 5.867 50 0 IKAAMM CCc1cc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc(C)c3-c2ccccc2)cs1 ZINC000017095571 556659084 /nfs/dbraw/zinc/65/90/84/556659084.db2.gz CRDPNNRDJGPPBR-UHFFFAOYSA-N 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Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064450464 556823880 /nfs/dbraw/zinc/82/38/80/556823880.db2.gz NRNUXFRTYAFFQI-UHFFFAOYSA-N -1 1 425.535 5.191 50 0 IKAAMM S=c1[n-]nc(CSCc2ccccc2Br)n1Cc1ccc(Cl)cc1 ZINC000019632573 556833377 /nfs/dbraw/zinc/83/33/77/556833377.db2.gz UFMBNBCXMGARIQ-UHFFFAOYSA-N -1 1 440.819 5.838 50 0 IKAAMM O=C(Nn1c(=O)c2c([n-]c1=S)sc1c2CCCCCC1)c1csc2ccccc12 ZINC000019634784 556834631 /nfs/dbraw/zinc/83/46/31/556834631.db2.gz ZOHKUSIAHOJEFM-UHFFFAOYSA-N -1 1 441.603 5.378 50 0 IKAAMM O=C(Nn1c(=O)c2c([n-]c1=S)sc1c2CCCCCC1)c1csc2c1CCCC2 ZINC000019643987 556838747 /nfs/dbraw/zinc/83/87/47/556838747.db2.gz AVBWJKQVVSJOQF-UHFFFAOYSA-N -1 1 445.635 5.104 50 0 IKAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000033116514 556862120 /nfs/dbraw/zinc/86/21/20/556862120.db2.gz MSJUMVYFYZAKCR-UHFFFAOYSA-N -1 1 439.968 5.296 50 0 IKAAMM Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)Nc4ccccc4)cc3)cc2)c1 ZINC000033130270 556870182 /nfs/dbraw/zinc/87/01/82/556870182.db2.gz URCTWELDEIHXQC-UHFFFAOYSA-N -1 1 442.540 5.715 50 0 IKAAMM CC(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130278 556870215 /nfs/dbraw/zinc/87/02/15/556870215.db2.gz XJAJWNKZYRYZAX-UHFFFAOYSA-N -1 1 440.540 5.069 50 0 IKAAMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130307 556870224 /nfs/dbraw/zinc/87/02/24/556870224.db2.gz AVCAOOZRUYNLMW-UHFFFAOYSA-N -1 1 440.540 5.214 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3Cl)sc2c1 ZINC000033169081 556881392 /nfs/dbraw/zinc/88/13/92/556881392.db2.gz VDKWBNOZICAULH-UHFFFAOYSA-N -1 1 444.965 5.735 50 0 IKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033169124 556881535 /nfs/dbraw/zinc/88/15/35/556881535.db2.gz ZINKSBLHBAANFT-UHFFFAOYSA-N -1 1 436.602 6.271 50 0 IKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000033173552 556883636 /nfs/dbraw/zinc/88/36/36/556883636.db2.gz RSCYHAJRWHTPLX-UHFFFAOYSA-N -1 1 444.862 5.685 50 0 IKAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000033170078 556885448 /nfs/dbraw/zinc/88/54/48/556885448.db2.gz UATPIMBFCPTVGM-UHFFFAOYSA-N -1 1 448.573 5.320 50 0 IKAAMM CCOc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)c(C)o2)cc1 ZINC000023126195 557007911 /nfs/dbraw/zinc/00/79/11/557007911.db2.gz BWRHXJMCRBNBFB-UHFFFAOYSA-N -1 1 447.560 5.736 50 0 IKAAMM Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000020395425 557013426 /nfs/dbraw/zinc/01/34/26/557013426.db2.gz BCPCJHCPANVRNP-UHFFFAOYSA-N -1 1 431.970 5.258 50 0 IKAAMM CCC(C)(C)[C@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735782 557053815 /nfs/dbraw/zinc/05/38/15/557053815.db2.gz DSYFTFPCOMTHDI-SFHVURJKSA-N -1 1 425.594 6.392 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(Cl)c4)cc3Cl)sc2c1 ZINC000033289261 557070486 /nfs/dbraw/zinc/07/04/86/557070486.db2.gz FWNCONLJZXZNMU-UHFFFAOYSA-N -1 1 449.384 6.379 50 0 IKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)c(C)c3)sc2c1 ZINC000033289293 557070906 /nfs/dbraw/zinc/07/09/06/557070906.db2.gz IJJRWHIHSMEDPC-UHFFFAOYSA-N -1 1 438.574 5.698 50 0 IKAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(OC)cc3s2)cc1C ZINC000033289310 557070918 /nfs/dbraw/zinc/07/09/18/557070918.db2.gz NGYFHLBFSSWDGC-UHFFFAOYSA-N -1 1 438.574 5.644 50 0 IKAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)c(F)c1 ZINC000095067895 557156169 /nfs/dbraw/zinc/15/61/69/557156169.db2.gz YELZZOHADNPCGU-UHFFFAOYSA-N -1 1 432.620 5.061 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000024833375 557171245 /nfs/dbraw/zinc/17/12/45/557171245.db2.gz OSFZFBBIHQEQSV-UHFFFAOYSA-N -1 1 426.545 5.516 50 0 IKAAMM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101036239 557214474 /nfs/dbraw/zinc/21/44/74/557214474.db2.gz YZORGGDPVBBSOO-SMIHKQSGSA-N -1 1 446.934 5.262 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000018216744 557252532 /nfs/dbraw/zinc/25/25/32/557252532.db2.gz FURYISFVXXYDIR-UHFFFAOYSA-N -1 1 428.608 5.033 50 0 IKAAMM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101110769 557256017 /nfs/dbraw/zinc/25/60/17/557256017.db2.gz BPCKCISMEYBLFD-VXNXHJTFSA-N -1 1 426.516 5.035 50 0 IKAAMM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494831 557288663 /nfs/dbraw/zinc/28/86/63/557288663.db2.gz KXKUNCXKBWJAIC-IBGZPJMESA-N -1 1 437.590 5.630 50 0 IKAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102703523 557366135 /nfs/dbraw/zinc/36/61/35/557366135.db2.gz FWPXXWJCAFWHHE-DNVJHFABSA-N -1 1 432.907 5.008 50 0 IKAAMM O=C1C[C@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730125 557369163 /nfs/dbraw/zinc/36/91/63/557369163.db2.gz WTIPLJORJPPRHV-GOSISDBHSA-N -1 1 435.435 5.155 50 0 biogenic IKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000524730125 557369164 /nfs/dbraw/zinc/36/91/64/557369164.db2.gz WTIPLJORJPPRHV-GOSISDBHSA-N -1 1 435.435 5.155 50 0 biogenic IKAAMM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102743256 557376789 /nfs/dbraw/zinc/37/67/89/557376789.db2.gz BPCKCISMEYBLFD-RBZQAINGSA-N -1 1 426.516 5.035 50 0 IKAAMM O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000015905995 557466356 /nfs/dbraw/zinc/46/63/56/557466356.db2.gz RASQLJPRIAXTQV-AWNIVKPZSA-N -1 1 447.343 5.446 50 0 IKAAMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)ccc1Br ZINC000002467898 562928116 /nfs/dbraw/zinc/92/81/16/562928116.db2.gz NVRHTHNEOWSTIU-UHFFFAOYSA-N -1 1 442.338 5.102 50 0 IKAAMM CSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000008612019 562958941 /nfs/dbraw/zinc/95/89/41/562958941.db2.gz JHWQGNZAZVDGLT-UHFFFAOYSA-N -1 1 437.908 5.390 50 0 IKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc2c(s1)CCCC2 ZINC000008693875 562963695 /nfs/dbraw/zinc/96/36/95/562963695.db2.gz CLSOZRUCCMAFPW-UHFFFAOYSA-N -1 1 446.981 5.333 50 0 IKAAMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1COc1cccc(C(F)(F)F)c1 ZINC000001019075 568651220 /nfs/dbraw/zinc/65/12/20/568651220.db2.gz ZIPUVXIYNNYBKS-LZYBPNLTSA-N -1 1 425.453 5.622 50 0 IKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1 ZINC000003368311 568747617 /nfs/dbraw/zinc/74/76/17/568747617.db2.gz IYBKUNPXULGTDS-UHFFFAOYSA-N -1 1 447.556 6.203 50 0 IKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc2ccccc2o1 ZINC000003422486 568748870 /nfs/dbraw/zinc/74/88/70/568748870.db2.gz ACFXGYNZPQRXQY-UHFFFAOYSA-N -1 1 426.881 5.139 50 0 IKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccc(F)cc1 ZINC000085412308 568818471 /nfs/dbraw/zinc/81/84/71/568818471.db2.gz ADUKFQFOALXOOA-OAQYLSRUSA-N -1 1 441.528 5.370 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2nc3ccccc3n2C(C)C)cc1 ZINC000006079501 568821494 /nfs/dbraw/zinc/82/14/94/568821494.db2.gz ZVKUSHLVNNYMAD-UHFFFAOYSA-N -1 1 434.565 5.339 50 0 IKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2cccc(C)c2)no1 ZINC000085654771 568834084 /nfs/dbraw/zinc/83/40/84/568834084.db2.gz QJKUGTWLNSHNJM-UHFFFAOYSA-N -1 1 445.500 5.567 50 0 IKAAMM COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[N@H+](C(C)C)C2 ZINC000015823475 568840222 /nfs/dbraw/zinc/84/02/22/568840222.db2.gz RYGSGDRLOTXEHO-UHFFFAOYSA-N -1 1 448.997 5.422 50 0 IKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000015870781 568852222 /nfs/dbraw/zinc/85/22/22/568852222.db2.gz ORCLKNWGKQWTKN-UHFFFAOYSA-N -1 1 433.577 5.341 50 0 IKAAMM CC(C)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000064557962 568931957 /nfs/dbraw/zinc/93/19/57/568931957.db2.gz SOXBCSYQXMRUDT-QFIPXVFZSA-N -1 1 433.529 5.141 50 0 IKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064558215 568932159 /nfs/dbraw/zinc/93/21/59/568932159.db2.gz CDDLAIPGLHXNGI-QHCPKHFHSA-N -1 1 447.556 5.197 50 0 IKAAMM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558174 568932170 /nfs/dbraw/zinc/93/21/70/568932170.db2.gz PGAHIFZVOBRPJQ-QHCPKHFHSA-N -1 1 447.556 5.450 50 0 IKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000036357888 569084860 /nfs/dbraw/zinc/08/48/60/569084860.db2.gz XQNYUOHEXLZUNY-UHFFFAOYSA-N -1 1 437.455 5.427 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(Br)c1 ZINC000065004100 569086807 /nfs/dbraw/zinc/08/68/07/569086807.db2.gz SGJYAAYCULONQX-UHFFFAOYSA-N -1 1 439.356 5.152 50 0 IKAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000013129442 569125417 /nfs/dbraw/zinc/12/54/17/569125417.db2.gz CFGMKGCHODWKPW-UHFFFAOYSA-N -1 1 447.984 5.010 50 0 IKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1 ZINC000065330977 569137123 /nfs/dbraw/zinc/13/71/23/569137123.db2.gz AYUWQPHOWYOPMP-UHFFFAOYSA-N -1 1 448.548 5.498 50 0 IKAAMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000089642583 569160367 /nfs/dbraw/zinc/16/03/67/569160367.db2.gz JLYHPBNNQGJJGX-INIZCTEOSA-N -1 1 443.642 5.414 50 0 IKAAMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000089642584 569160370 /nfs/dbraw/zinc/16/03/70/569160370.db2.gz JLYHPBNNQGJJGX-MRXNPFEDSA-N -1 1 443.642 5.414 50 0 IKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)c1 ZINC000016840786 569163265 /nfs/dbraw/zinc/16/32/65/569163265.db2.gz WHWHRNQUEKRVBB-UHFFFAOYSA-N -1 1 439.924 5.767 50 0 IKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000016977060 569168960 /nfs/dbraw/zinc/16/89/60/569168960.db2.gz FOLITJWCPUPDJO-UHFFFAOYSA-N -1 1 431.304 5.728 50 0 IKAAMM COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000002200857 569192485 /nfs/dbraw/zinc/19/24/85/569192485.db2.gz YGUYBULGZDZXLX-UHFFFAOYSA-N -1 1 447.922 5.648 50 0 IKAAMM Cc1nc(N)nc(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])c1-c1ccccc1 ZINC000002207026 569193501 /nfs/dbraw/zinc/19/35/01/569193501.db2.gz YTQQFAQJHXYOKS-UHFFFAOYSA-N -1 1 435.886 5.778 50 0 IKAAMM CCCCc1ccc(-n2c([S-])nnc2-c2cc3c(s2)n(C)nc3C(F)(F)F)cc1 ZINC000008853859 569291207 /nfs/dbraw/zinc/29/12/07/569291207.db2.gz KTSURQMZCFTDIR-UHFFFAOYSA-N -1 1 437.516 5.533 50 0 IKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000002380924 569291945 /nfs/dbraw/zinc/29/19/45/569291945.db2.gz CNINXXSKMAVABP-UHFFFAOYSA-N -1 1 429.476 5.120 50 0 IKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013358298 569313741 /nfs/dbraw/zinc/31/37/41/569313741.db2.gz VFJWEIFUHKDHCI-UHFFFAOYSA-N -1 1 433.533 5.403 50 0 IKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360660 569313950 /nfs/dbraw/zinc/31/39/50/569313950.db2.gz WHOZKTDYKUHCIJ-UHFFFAOYSA-N -1 1 434.517 5.435 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117408 569384063 /nfs/dbraw/zinc/38/40/63/569384063.db2.gz WYKUGNAGJSYPGW-CZUORRHYSA-N -1 1 441.475 5.091 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000096117816 569384310 /nfs/dbraw/zinc/38/43/10/569384310.db2.gz PQAJZABVZXRVIX-MLGOLLRUSA-N -1 1 426.369 5.499 50 0 IKAAMM CCc1c(C)sc2nc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)[n-]c(=O)c12 ZINC000003372412 569448497 /nfs/dbraw/zinc/44/84/97/569448497.db2.gz ODAUKCJXUYHAKO-UHFFFAOYSA-N -1 1 441.915 5.567 50 0 IKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 ZINC000058439497 569454717 /nfs/dbraw/zinc/45/47/17/569454717.db2.gz OTLFQGYVBUSTKE-UHFFFAOYSA-N -1 1 442.368 5.202 50 0 IKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C(F)(F)F)c2)n1 ZINC000067297967 569468094 /nfs/dbraw/zinc/46/80/94/569468094.db2.gz GYSCPOYBVZZOFH-SLMZUGIISA-N -1 1 439.393 5.345 50 0 IKAAMM C[C@H]1CCc2c3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4c3oc2C1 ZINC000008765742 569474771 /nfs/dbraw/zinc/47/47/71/569474771.db2.gz BSZQPAYTTZRKDN-AWEZNQCLSA-N -1 1 425.937 6.165 50 0 IKAAMM Cc1ccccc1S(=O)(=O)[N-]c1cc2c3c(oc2c2ccccc12)CC[C@@H](C(C)(C)C)C3 ZINC000008765747 569474819 /nfs/dbraw/zinc/47/48/19/569474819.db2.gz DGHYPXGPGFJVLX-GOSISDBHSA-N -1 1 447.600 6.846 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(C(C)=O)c(C)oc3c(Br)c2)cc1 ZINC000008765701 569474834 /nfs/dbraw/zinc/47/48/34/569474834.db2.gz ALFBBPQFQKCZEB-UHFFFAOYSA-N -1 1 436.327 5.070 50 0 IKAAMM Cc1oc2cc(C)c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)C ZINC000008870347 569480531 /nfs/dbraw/zinc/48/05/31/569480531.db2.gz PEVBRNHOYNKRBC-UHFFFAOYSA-N -1 1 443.565 5.713 50 0 IKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)(C)C ZINC000008870415 569480611 /nfs/dbraw/zinc/48/06/11/569480611.db2.gz NUUSTRVBXPMOHL-UHFFFAOYSA-N -1 1 443.565 5.795 50 0 IKAAMM CCCCCN1C(=O)N(c2ccc(C)cc2)[C@H](N([O-])C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000008926378 569487264 /nfs/dbraw/zinc/48/72/64/569487264.db2.gz VIJRBCGJYRUDPI-JOCHJYFZSA-N -1 1 438.572 5.764 50 0 IKAAMM Cc1c(CNCc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1ccccc1C 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CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c1ccccc21 ZINC000004149912 555968574 /nfs/dbraw/zinc/96/85/74/555968574.db2.gz URRVZXFEHWTPPL-UHFFFAOYSA-N -1 1 437.517 5.652 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000004148304 555968650 /nfs/dbraw/zinc/96/86/50/555968650.db2.gz GFFWXRSMXHALKX-SFHVURJKSA-N -1 1 425.594 6.337 50 0 IKAAMM C[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c2C1 ZINC000005494155 556056674 /nfs/dbraw/zinc/05/66/74/556056674.db2.gz DNFAENMWYCRFCS-CQSZACIVSA-N -1 1 425.937 6.165 50 0 IKAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006212939 556080601 /nfs/dbraw/zinc/08/06/01/556080601.db2.gz YHSVFZPPUSNPEN-UHFFFAOYSA-N -1 1 438.549 5.046 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000002685447 556119025 /nfs/dbraw/zinc/11/90/25/556119025.db2.gz XKVRNTVMDSRAFF-UHFFFAOYSA-N -1 1 433.501 5.337 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)cc2Cl ZINC000008439200 556175137 /nfs/dbraw/zinc/17/51/37/556175137.db2.gz MQLQHOHSXSIVMV-UHFFFAOYSA-N -1 1 435.929 5.297 50 0 IKAAMM CCC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 ZINC000008439055 556175227 /nfs/dbraw/zinc/17/52/27/556175227.db2.gz QFEZCSCCPLXCFI-IBGZPJMESA-N -1 1 439.621 6.898 50 0 IKAAMM CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 ZINC000008439053 556175278 /nfs/dbraw/zinc/17/52/78/556175278.db2.gz QFEZCSCCPLXCFI-LJQANCHMSA-N -1 1 439.621 6.898 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000008439231 556175418 /nfs/dbraw/zinc/17/54/18/556175418.db2.gz HBVIKGRTDLFQHC-UHFFFAOYSA-N -1 1 445.537 5.288 50 0 IKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1C ZINC000008439287 556175571 /nfs/dbraw/zinc/17/55/71/556175571.db2.gz ILDBWDLKVIPFDS-UHFFFAOYSA-N -1 1 433.529 5.831 50 0 IKAAMM Cc1ccc(CSc2nnc([N-]C(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 ZINC000008440054 556176120 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556666245 /nfs/dbraw/zinc/66/62/45/556666245.db2.gz AGYFVIFOPYXXGZ-UHFFFAOYSA-N -1 1 448.906 5.766 50 0 IKAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000011866350 556666513 /nfs/dbraw/zinc/66/65/13/556666513.db2.gz WGTLSVUYGRRJCP-UHFFFAOYSA-N -1 1 433.895 5.339 50 0 IKAAMM O=c1cc(C(F)(F)F)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[n-]1 ZINC000018227477 556687723 /nfs/dbraw/zinc/68/77/23/556687723.db2.gz ZJNXEXXWTWKTBE-UHFFFAOYSA-N -1 1 449.841 5.514 50 0 IKAAMM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000033025726 556701385 /nfs/dbraw/zinc/70/13/85/556701385.db2.gz YDUDKRTWZNDGFN-UHFFFAOYSA-N -1 1 430.573 6.683 50 0 IKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025786 556701683 /nfs/dbraw/zinc/70/16/83/556701683.db2.gz WONQDUHWVTZUFN-UHFFFAOYSA-N -1 1 438.980 6.488 50 0 IKAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025839 556701694 /nfs/dbraw/zinc/70/16/94/556701694.db2.gz 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CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)c(Cl)c1 ZINC000033289265 557071061 /nfs/dbraw/zinc/07/10/61/557071061.db2.gz WJJHYMSMSMFYNK-UHFFFAOYSA-N -1 1 442.993 6.288 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000010916882 557099084 /nfs/dbraw/zinc/09/90/84/557099084.db2.gz KHDPXMSWRMAXPW-UHFFFAOYSA-N -1 1 431.359 5.016 50 0 IKAAMM CCc1ccccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000023623882 557101426 /nfs/dbraw/zinc/10/14/26/557101426.db2.gz FUKWQYIARRPJGM-UHFFFAOYSA-N -1 1 444.556 5.384 50 0 IKAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000017917857 557128714 /nfs/dbraw/zinc/12/87/14/557128714.db2.gz UNPWUJZCWFCHDA-ZLNRFVROSA-N -1 1 432.907 5.008 50 0 IKAAMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002847872 557134138 /nfs/dbraw/zinc/13/41/38/557134138.db2.gz AXHPOFDOEOMBKT-UHFFFAOYSA-N -1 1 431.772 5.777 50 0 IKAAMM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000017994268 557137434 /nfs/dbraw/zinc/13/74/34/557137434.db2.gz XDVFYFCTFGIXLK-DSNGMDLFSA-N -1 1 438.458 5.030 50 0 IKAAMM CC(=O)N1CC2=C(C1=O)[C@H](c1ccc([O-])c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414613 557146072 /nfs/dbraw/zinc/14/60/72/557146072.db2.gz YFVHMUJHURDIMU-OAQYLSRUSA-N -1 1 435.911 5.431 50 0 IKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc21 ZINC000000755097 557169732 /nfs/dbraw/zinc/16/97/32/557169732.db2.gz KDVUJEGTLDKHTR-UHFFFAOYSA-N -1 1 443.908 5.525 50 0 IKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072705 557232928 /nfs/dbraw/zinc/23/29/28/557232928.db2.gz QOYYXWZPMZEOMT-UHFFFAOYSA-N -1 1 449.075 5.576 50 0 IKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl ZINC000098072738 557233023 /nfs/dbraw/zinc/23/30/23/557233023.db2.gz ARJAVHBFBSPZAZ-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072974 557233197 /nfs/dbraw/zinc/23/31/97/557233197.db2.gz MFRIGRKYAFXSCD-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1Cl ZINC000098073000 557233359 /nfs/dbraw/zinc/23/33/59/557233359.db2.gz LPHUATQOKRQNOJ-UHFFFAOYSA-N -1 1 428.657 5.231 50 0 IKAAMM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494836 557288728 /nfs/dbraw/zinc/28/87/28/557288728.db2.gz KXKUNCXKBWJAIC-LJQANCHMSA-N -1 1 437.590 5.630 50 0 IKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101766991 557295916 /nfs/dbraw/zinc/29/59/16/557295916.db2.gz XZFBFYZMMIIWCM-INIZCTEOSA-N -1 1 429.954 5.160 50 0 IKAAMM COc1cccc(-n2c3nc(SCc4ccccc4Cl)[n-]c(=O)c3sc2=S)c1 ZINC000032948247 557317841 /nfs/dbraw/zinc/31/78/41/557317841.db2.gz GKIBZKVKWHJSDK-UHFFFAOYSA-N -1 1 447.994 5.459 50 0 IKAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000033130325 557325302 /nfs/dbraw/zinc/32/53/02/557325302.db2.gz JAMKAGLKIKNUPS-UHFFFAOYSA-N -1 1 442.540 5.715 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4C)cc3Cl)sc2c1 ZINC000033169065 557326396 /nfs/dbraw/zinc/32/63/96/557326396.db2.gz YYLISPCKEFGCRA-UHFFFAOYSA-N -1 1 446.956 6.173 50 0 IKAAMM COc1cccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)c(C)o2)c1OC ZINC000045924701 557549873 /nfs/dbraw/zinc/54/98/73/557549873.db2.gz ONZUJXFXZLPLMO-UHFFFAOYSA-N -1 1 435.505 5.122 50 0 IKAAMM COc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)c(C)o2)cc1 ZINC000045924854 557549886 /nfs/dbraw/zinc/54/98/86/557549886.db2.gz FBSLJVYAKNKVEQ-UHFFFAOYSA-N -1 1 433.533 5.346 50 0 IKAAMM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000045924684 557549912 /nfs/dbraw/zinc/54/99/12/557549912.db2.gz NWXZUSCOWVEOHT-UHFFFAOYSA-N -1 1 433.533 5.892 50 0 IKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595431 562953461 /nfs/dbraw/zinc/95/34/61/562953461.db2.gz IKJZPZSLIGICJC-QFIPXVFZSA-N -1 1 447.491 5.204 50 0 aggregator IKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595431 562953463 /nfs/dbraw/zinc/95/34/63/562953463.db2.gz IKJZPZSLIGICJC-QFIPXVFZSA-N -1 1 447.491 5.204 50 0 aggregator IKAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057029 568642538 /nfs/dbraw/zinc/64/25/38/568642538.db2.gz KUTPDKBSZYAXJP-LJQANCHMSA-N -1 1 449.576 5.024 50 0 IKAAMM Cc1ccc(N(C(=O)c2ccccc2[O-])C2(C(=O)Nc3ccccc3)CCCCC2)cc1 ZINC000003667581 568753884 /nfs/dbraw/zinc/75/38/84/568753884.db2.gz CYCJQDGWSXREAE-UHFFFAOYSA-N -1 1 428.532 5.689 50 0 IKAAMM COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)cc(=O)c-3c2[O-])cc1OC ZINC000001317802 568779468 /nfs/dbraw/zinc/77/94/68/568779468.db2.gz LHCWCFLQWDNOEY-UHFFFAOYSA-N -1 1 438.863 5.415 50 0 biogenic IKAAMM COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)cc([O-])c3c2=O)cc1OC ZINC000001317802 568779469 /nfs/dbraw/zinc/77/94/69/568779469.db2.gz LHCWCFLQWDNOEY-UHFFFAOYSA-N -1 1 438.863 5.415 50 0 biogenic IKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000001445195 568816080 /nfs/dbraw/zinc/81/60/80/568816080.db2.gz PWDKENAYFQNPIK-HSZRJFAPSA-N -1 1 448.567 5.847 50 0 IKAAMM COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1OCc1ccc(F)cc1 ZINC000085411821 568818002 /nfs/dbraw/zinc/81/80/02/568818002.db2.gz STOIZOANMHTBKQ-OAQYLSRUSA-N -1 1 441.528 5.370 50 0 IKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccc(F)cc1 ZINC000085412305 568818436 /nfs/dbraw/zinc/81/84/36/568818436.db2.gz ADUKFQFOALXOOA-NRFANRHFSA-N -1 1 441.528 5.370 50 0 IKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2ccc(F)cc2)no1 ZINC000085654784 568834040 /nfs/dbraw/zinc/83/40/40/568834040.db2.gz XWXDWCHLCDIXLE-UHFFFAOYSA-N -1 1 449.463 5.398 50 0 IKAAMM CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001514531 568839356 /nfs/dbraw/zinc/83/93/56/568839356.db2.gz HAZCROFMYAJNGW-KRWDZBQOSA-N -1 1 437.327 5.283 50 0 IKAAMM CC[N@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000015823469 568840165 /nfs/dbraw/zinc/84/01/65/568840165.db2.gz GFJCQNQOCYNWRD-UHFFFAOYSA-N -1 1 434.970 5.033 50 0 IKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000006146675 568846253 /nfs/dbraw/zinc/84/62/53/568846253.db2.gz ZFECLBZPQNTKHY-UHFFFAOYSA-N -1 1 430.529 5.510 50 0 IKAAMM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2s1 ZINC000015870103 568851447 /nfs/dbraw/zinc/85/14/47/568851447.db2.gz SLHJPQSUCSRWJN-UHFFFAOYSA-N -1 1 429.567 5.103 50 0 IKAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870281 568851600 /nfs/dbraw/zinc/85/16/00/568851600.db2.gz PSOMZRVELDFASI-UHFFFAOYSA-N -1 1 443.594 5.178 50 0 IKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000015870462 568851758 /nfs/dbraw/zinc/85/17/58/568851758.db2.gz VTJMZCQEOZBFQB-UHFFFAOYSA-N -1 1 433.577 5.259 50 0 IKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870261 568851778 /nfs/dbraw/zinc/85/17/78/568851778.db2.gz VUFLMPKNPORIDY-UHFFFAOYSA-N -1 1 443.594 5.178 50 0 IKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012993463 568897034 /nfs/dbraw/zinc/89/70/34/568897034.db2.gz NZFNPQSXJFQPFB-UHFFFAOYSA-N -1 1 435.380 5.272 50 0 IKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000035671393 568897353 /nfs/dbraw/zinc/89/73/53/568897353.db2.gz YRIRNUYFQILPLQ-UHFFFAOYSA-N -1 1 436.467 6.188 50 0 IKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064558213 568932033 /nfs/dbraw/zinc/93/20/33/568932033.db2.gz CDDLAIPGLHXNGI-HSZRJFAPSA-N -1 1 447.556 5.197 50 0 IKAAMM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558172 568932148 /nfs/dbraw/zinc/93/21/48/568932148.db2.gz PGAHIFZVOBRPJQ-HSZRJFAPSA-N -1 1 447.556 5.450 50 0 IKAAMM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668087 568943108 /nfs/dbraw/zinc/94/31/08/568943108.db2.gz YNYPLTREDYFBEY-UHFFFAOYSA-N -1 1 441.553 5.372 50 0 IKAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000064837548 568969416 /nfs/dbraw/zinc/96/94/16/568969416.db2.gz YZODBCDIXYESBR-UHFFFAOYSA-N -1 1 435.343 5.139 50 0 IKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)cc1 ZINC000065330985 569137071 /nfs/dbraw/zinc/13/70/71/569137071.db2.gz YKIJTMAJRNXBMD-UHFFFAOYSA-N -1 1 448.548 5.085 50 0 IKAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000170623149 569148305 /nfs/dbraw/zinc/14/83/05/569148305.db2.gz HDQMUBKYFVXRQZ-UHFFFAOYSA-N -1 1 446.866 5.276 50 0 IKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc(OC)c1O ZINC000071283631 569150826 /nfs/dbraw/zinc/15/08/26/569150826.db2.gz JLCLWEBNEIPZQD-FQEVSTJZSA-N -1 1 431.558 5.483 50 0 IKAAMM CCOc1ccccc1-c1nc(CSc2nc(-c3ccc(OC)cc3)cc(=O)[n-]2)c(C)o1 ZINC000016841824 569163370 /nfs/dbraw/zinc/16/33/70/569163370.db2.gz DEAGJAUWCOLKFG-UHFFFAOYSA-N -1 1 449.532 5.512 50 0 IKAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000002194917 569191383 /nfs/dbraw/zinc/19/13/83/569191383.db2.gz OFZAWMYGLPSOJC-UHFFFAOYSA-N -1 1 429.476 5.120 50 0 IKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])n1 ZINC000002241095 569213629 /nfs/dbraw/zinc/21/36/29/569213629.db2.gz HDXFCSVJARYPAQ-UHFFFAOYSA-N -1 1 448.320 5.440 50 0 IKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000027527578 569263365 /nfs/dbraw/zinc/26/33/65/569263365.db2.gz HPPZMIDITUTGMY-DHDCSXOGSA-N -1 1 436.352 5.366 50 0 IKAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3[O-])nc2c1 ZINC000027527745 569263464 /nfs/dbraw/zinc/26/34/64/569263464.db2.gz NZIQXOIEQSHPSC-UHFFFAOYSA-N -1 1 430.504 5.824 50 0 IKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000245309382 569269846 /nfs/dbraw/zinc/26/98/46/569269846.db2.gz CKHWGQAGHQQPTC-TWJOJJKGSA-N -1 1 434.495 5.199 50 0 IKAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000002325743 569274343 /nfs/dbraw/zinc/27/43/43/569274343.db2.gz NMLQZJUNGBHAHE-UHFFFAOYSA-N -1 1 449.894 5.465 50 0 IKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])n1 ZINC000002339831 569275041 /nfs/dbraw/zinc/27/50/41/569275041.db2.gz DQBWAFNTSLNTJX-UHFFFAOYSA-N -1 1 438.314 5.984 50 0 IKAAMM O=C([O-])COc1ccc(-c2csc3ccccc32)cc1CN1CCc2ccccc2C1 ZINC000299786648 569283682 /nfs/dbraw/zinc/28/36/82/569283682.db2.gz XNVRDEKWYUEBSA-UHFFFAOYSA-N -1 1 429.541 5.590 50 0 IKAAMM O=c1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000008873829 569291838 /nfs/dbraw/zinc/29/18/38/569291838.db2.gz JIGNXPLJEVSIEB-UHFFFAOYSA-N -1 1 443.808 6.727 50 0 IKAAMM CCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000013097209 569309681 /nfs/dbraw/zinc/30/96/81/569309681.db2.gz QGDPRRNGDUTUBM-UHFFFAOYSA-N -1 1 446.931 5.485 50 0 IKAAMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC000013098924 569310026 /nfs/dbraw/zinc/31/00/26/569310026.db2.gz SPNFWEUDQZPCOT-UHFFFAOYSA-N -1 1 432.904 5.149 50 0 IKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c2cccnc12 ZINC000002455789 569311387 /nfs/dbraw/zinc/31/13/87/569311387.db2.gz HFPCMJPZRAUWNP-UHFFFAOYSA-N -1 1 430.835 5.107 50 0 IKAAMM C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013145496 569311913 /nfs/dbraw/zinc/31/19/13/569311913.db2.gz HLFRHMIDMJZEGI-GFCCVEGCSA-N -1 1 442.443 5.171 50 0 IKAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000013360697 569314031 /nfs/dbraw/zinc/31/40/31/569314031.db2.gz MYLLBKKPSCDDLI-UHFFFAOYSA-N -1 1 434.517 5.435 50 0 IKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000096117406 569384086 /nfs/dbraw/zinc/38/40/86/569384086.db2.gz WYKUGNAGJSYPGW-CJNGLKHVSA-N -1 1 441.475 5.091 50 0 IKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4noc5ccccc54)cc3)sc2c1 ZINC000096124217 569385554 /nfs/dbraw/zinc/38/55/54/569385554.db2.gz IOWNTNULCASIQD-UHFFFAOYSA-N -1 1 435.530 5.355 50 0 IKAAMM O=C([N-]c1ncn(Cc2ccccc2Cl)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002798826 569422192 /nfs/dbraw/zinc/42/21/92/569422192.db2.gz JCLWCMGLIZBNAH-UHFFFAOYSA-N -1 1 448.697 5.194 50 0 IKAAMM CCc1ccc(-n2c3nc(SCc4cccc(F)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000003027145 569436335 /nfs/dbraw/zinc/43/63/35/569436335.db2.gz UTTKMGRBUDDENV-UHFFFAOYSA-N -1 1 429.567 5.499 50 0 IKAAMM O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000003214759 569441777 /nfs/dbraw/zinc/44/17/77/569441777.db2.gz YUQIUXSQKYRVPB-UHFFFAOYSA-N -1 1 439.295 5.186 50 0 IKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003213717 569441831 /nfs/dbraw/zinc/44/18/31/569441831.db2.gz NAVTXSNHBPNXQI-UHFFFAOYSA-N -1 1 435.501 5.207 50 0 IKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1 ZINC000058003238 569444538 /nfs/dbraw/zinc/44/45/38/569444538.db2.gz JNHRVHDGYXAHPO-UHFFFAOYSA-N -1 1 433.581 5.556 50 0 IKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000003307230 569445285 /nfs/dbraw/zinc/44/52/85/569445285.db2.gz WNYTZVRORYLTBJ-UHFFFAOYSA-N -1 1 449.359 5.663 50 0 IKAAMM Cc1ccccc1S(=O)(=O)[N-]c1cc2c3c(oc2c2ccccc12)CC[C@H](C(C)(C)C)C3 ZINC000008765746 569474781 /nfs/dbraw/zinc/47/47/81/569474781.db2.gz DGHYPXGPGFJVLX-SFHVURJKSA-N -1 1 447.600 6.846 50 0 IKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCNc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000008783524 569475904 /nfs/dbraw/zinc/47/59/04/569475904.db2.gz YJMUICAGKLVFMA-UHFFFAOYSA-N -1 1 446.931 5.273 50 0 IKAAMM CCCc1oc2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OCC ZINC000008870339 569480515 /nfs/dbraw/zinc/48/05/15/569480515.db2.gz RCVJTWWMDQSEHQ-UHFFFAOYSA-N -1 1 435.929 5.325 50 0 IKAAMM CCCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000008870361 569480542 /nfs/dbraw/zinc/48/05/42/569480542.db2.gz WNIVMEVZQFZLOM-UHFFFAOYSA-N -1 1 429.538 5.506 50 0 IKAAMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000008917405 569486017 /nfs/dbraw/zinc/48/60/17/569486017.db2.gz KILOVEALJNXPQR-UHFFFAOYSA-N -1 1 428.213 5.411 50 0 IKAAMM Cc1ccc(NC(=O)N([O-])[C@@H]2N(c3ccc(C)cc3)C(=O)N(CCC(C)C)C2(C)C)cc1 ZINC000008926371 569487270 /nfs/dbraw/zinc/48/72/70/569487270.db2.gz IESWCZIMZMMQTJ-QFIPXVFZSA-N -1 1 438.572 5.620 50 0 IKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934188 569487900 /nfs/dbraw/zinc/48/79/00/569487900.db2.gz LUJLJNXUWBUNPH-QFIPXVFZSA-N -1 1 448.498 5.296 50 0 IKAAMM C[C@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[n-]c(=O)c23)C1 ZINC000008952037 569489936 /nfs/dbraw/zinc/48/99/36/569489936.db2.gz KNGRNGMYTNAHKD-AWEZNQCLSA-N -1 1 436.964 6.009 50 0 IKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)c1occc1-c1ccccc1 ZINC000040152755 569493515 /nfs/dbraw/zinc/49/35/15/569493515.db2.gz DMDKATRRVOWUJE-UHFFFAOYSA-N -1 1 436.464 5.139 50 0 IKAAMM C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(OC)cc3)c([O-])c2)cc1 ZINC000009129153 569505643 /nfs/dbraw/zinc/50/56/43/569505643.db2.gz ZERRBJSLRQVBES-UHFFFAOYSA-N -1 1 425.488 5.329 50 0 IKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1OC 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