smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000020616645 568638374 /nfs/dbraw/zinc/63/83/74/568638374.db2.gz RWLINPMUKJFWQN-ROMGYVFFSA-N -2 1 418.380 4.460 50 0 HIAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397494 569034940 /nfs/dbraw/zinc/03/49/40/569034940.db2.gz MMFVGQOOHHRASV-UHFFFAOYSA-N -2 1 419.547 4.330 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c(C)c1 ZINC000033253955 558922289 /nfs/dbraw/zinc/92/22/89/558922289.db2.gz YGWFGEOQWFJMDD-HNNXBMFYSA-N -2 1 402.516 4.039 50 0 HIAAML Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000006161603 558575739 /nfs/dbraw/zinc/57/57/39/558575739.db2.gz AHVWMCHIMQROPO-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1C ZINC000033253895 558921917 /nfs/dbraw/zinc/92/19/17/558921917.db2.gz DJEQMAXUBSXGQJ-UHFFFAOYSA-N -2 1 416.543 4.347 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c(C)c1 ZINC000033253954 558922115 /nfs/dbraw/zinc/92/21/15/558922115.db2.gz YGWFGEOQWFJMDD-OAHLLOKOSA-N -2 1 402.516 4.039 50 0 HIAAML CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397430 569034871 /nfs/dbraw/zinc/03/48/71/569034871.db2.gz AKADNOXNJWUUHH-UHFFFAOYSA-N -2 1 417.531 4.084 50 0 HIAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013264847 569254499 /nfs/dbraw/zinc/25/44/99/569254499.db2.gz YTNYLTQZKIYNGY-UHFFFAOYSA-N -2 1 413.295 4.223 50 0 HIAAML Cc1ccc(Nc2c(C(=O)[O-])cnc3ccc(C(=O)[O-])cc32)cc1Br ZINC000005510805 560602785 /nfs/dbraw/zinc/60/27/85/560602785.db2.gz KEZRTFXCZZBKAX-UHFFFAOYSA-N -2 1 401.216 4.446 50 0 HIAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1 ZINC000064580631 569068535 /nfs/dbraw/zinc/06/85/35/569068535.db2.gz XJCMKPSFIJGYOS-OAHLLOKOSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c(Cl)c1 ZINC000170673369 569297904 /nfs/dbraw/zinc/29/79/04/569297904.db2.gz OMYIRQCAEGVIOZ-UHFFFAOYSA-N -2 1 415.298 4.093 50 0 HIAAML CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000033007450 558828384 /nfs/dbraw/zinc/82/83/84/558828384.db2.gz JDYCBFLGMHOWMI-UHFFFAOYSA-N -2 1 414.886 4.214 50 0 HIAAML O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1N1CCCCCC1 ZINC000032962106 526354525 /nfs/dbraw/zinc/35/45/25/526354525.db2.gz XZTBUTWQOWZTJD-UHFFFAOYSA-N -2 1 408.907 4.219 50 0 HIAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccccn3)c(Cl)c2)c1 ZINC000058313999 568911252 /nfs/dbraw/zinc/91/12/52/568911252.db2.gz PMNZFOUGOKXXTB-UHFFFAOYSA-N -2 1 420.899 4.385 50 0 HIAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000064580628 569068503 /nfs/dbraw/zinc/06/85/03/569068503.db2.gz YVBODVORUNQNLS-UHFFFAOYSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])/C=C/C(=O)Nc1cc(NC(=O)c2c([O-])ccc3ccccc32)ccc1Cl ZINC000022146400 846536919 /nfs/dbraw/zinc/53/69/19/846536919.db2.gz JNUKYINGCWPMSY-MDZDMXLPSA-N -2 1 410.813 4.030 50 0 HIAAML Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2c1C(=O)[O-] ZINC000001122519 557192363 /nfs/dbraw/zinc/19/23/63/557192363.db2.gz PBNSNVZYCVLKRH-UHFFFAOYSA-N -2 1 410.245 4.003 50 0 HIAAML CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033254013 558922357 /nfs/dbraw/zinc/92/23/57/558922357.db2.gz PTZUFFMHISXESV-UHFFFAOYSA-N -2 1 422.522 4.443 50 0 HIAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000033254003 558922399 /nfs/dbraw/zinc/92/23/99/558922399.db2.gz KLVQZWVOULXREZ-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)c1 ZINC000011859836 558289797 /nfs/dbraw/zinc/28/97/97/558289797.db2.gz IOXYYSWDFMJDKY-UHFFFAOYSA-N -2 1 406.257 4.101 50 0 HIAAML Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 ZINC000033253913 558922031 /nfs/dbraw/zinc/92/20/31/558922031.db2.gz HGQMBMCDQWZUKF-UHFFFAOYSA-N -2 1 410.495 4.130 50 0 HIAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000005135012 559250338 /nfs/dbraw/zinc/25/03/38/559250338.db2.gz LXOLBWGKXMCZCF-UHFFFAOYSA-N -2 1 405.806 4.057 50 0 HIAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000012290843 568461313 /nfs/dbraw/zinc/46/13/13/568461313.db2.gz UKZPDKAQFYKKGQ-UHFFFAOYSA-N -2 1 406.257 4.101 50 0 HIAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(/C=C\c3ccccn3)c2)cc1 ZINC000096843925 852556133 /nfs/dbraw/zinc/55/61/33/852556133.db2.gz IEXUAHMPPVCTIG-XFFZJAGNSA-N -2 1 408.479 4.070 50 0 HIAAML CN(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000032932360 523654347 /nfs/dbraw/zinc/65/43/47/523654347.db2.gz MCQGNWMCCIAEGZ-UHFFFAOYSA-N -2 1 410.495 4.273 50 0 HIAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1C ZINC000033253969 558922212 /nfs/dbraw/zinc/92/22/12/558922212.db2.gz USUUQQUPBKFNHU-AWEZNQCLSA-N -2 1 416.543 4.347 50 0 HIAAML CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C(=O)C1 ZINC000000816422 568495410 /nfs/dbraw/zinc/49/54/10/568495410.db2.gz ZYIUCJMYPGWUHD-UHFFFAOYSA-N -2 1 413.451 4.087 50 0 HIAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000035397263 569034841 /nfs/dbraw/zinc/03/48/41/569034841.db2.gz JGRGLQCOQOMVEU-UHFFFAOYSA-N -2 1 419.547 4.015 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1C ZINC000033253907 558921922 /nfs/dbraw/zinc/92/19/22/558921922.db2.gz JRRKLYCCHORCFX-UHFFFAOYSA-N -2 1 424.522 4.439 50 0 HIAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1Br ZINC000013345462 560804807 /nfs/dbraw/zinc/80/48/07/560804807.db2.gz MQJZSQOJQHJQMP-UHFFFAOYSA-N -2 1 406.257 4.101 50 0 HIAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000064843227 569107120 /nfs/dbraw/zinc/10/71/20/569107120.db2.gz GAHCPDQTFYZNAC-UHFFFAOYSA-N -2 1 419.547 4.114 50 0 HIAAML CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000033253503 558921674 /nfs/dbraw/zinc/92/16/74/558921674.db2.gz YNNJCEAJIBLFSZ-UHFFFAOYSA-N -2 1 410.923 4.465 50 0 HIAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1F ZINC000084374576 568948273 /nfs/dbraw/zinc/94/82/73/568948273.db2.gz OONWUZQJHBOIAH-UHFFFAOYSA-N -2 1 419.405 4.043 50 0 HIAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(/C=C/c3ccccn3)c2)cc1 ZINC000006582344 845211802 /nfs/dbraw/zinc/21/18/02/845211802.db2.gz IEXUAHMPPVCTIG-YRNVUSSQSA-N -2 1 408.479 4.070 50 0 HIAAML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C(C)C)cc1Br ZINC000032602082 525420880 /nfs/dbraw/zinc/42/08/80/525420880.db2.gz IHGYBKXOCKRQJE-UHFFFAOYSA-N -2 1 412.305 4.380 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1 ZINC000033253904 568512033 /nfs/dbraw/zinc/51/20/33/568512033.db2.gz FNLHQUNMAXZZQB-UHFFFAOYSA-N -2 1 410.495 4.130 50 0 HIAAML Cc1csc(Sc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)n1 ZINC000040146688 571196456 /nfs/dbraw/zinc/19/64/56/571196456.db2.gz NIXCZASDZMCETA-UHFFFAOYSA-N -2 1 406.510 4.102 50 0 HIAAML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2C)c1 ZINC000000754690 845001199 /nfs/dbraw/zinc/00/11/99/845001199.db2.gz ZUIBSQDHEMMCJU-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397384 569034853 /nfs/dbraw/zinc/03/48/53/569034853.db2.gz OCFJSBCBIGSCGK-UHFFFAOYSA-N -2 1 419.547 4.330 50 0 HIAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000064843346 569107171 /nfs/dbraw/zinc/10/71/71/569107171.db2.gz KXSHZONHTZVEJS-UHFFFAOYSA-N -2 1 419.547 4.132 50 0 HIAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1 ZINC000064580630 569068568 /nfs/dbraw/zinc/06/85/68/569068568.db2.gz XJCMKPSFIJGYOS-HNNXBMFYSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3s2)cc1 ZINC000013059719 845903366 /nfs/dbraw/zinc/90/33/66/845903366.db2.gz NSVFTKVVXWPCQM-UHFFFAOYSA-N -2 1 410.476 4.462 50 0 HIAAML Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1 ZINC000006028959 557684555 /nfs/dbraw/zinc/68/45/55/557684555.db2.gz PDLDXOHXMAXKON-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000033253925 558922121 /nfs/dbraw/zinc/92/21/21/558922121.db2.gz GUHKMKBBIQMZJS-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000035397504 569035002 /nfs/dbraw/zinc/03/50/02/569035002.db2.gz JXECJJKNEAYVKU-UHFFFAOYSA-N -2 1 419.547 4.132 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1C ZINC000064580633 569068525 /nfs/dbraw/zinc/06/85/25/569068525.db2.gz KBGGDOWONHKVAQ-CQSZACIVSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccc2F)cc1 ZINC000020619385 558394136 /nfs/dbraw/zinc/39/41/36/558394136.db2.gz CMAIGLJSOJKNCZ-LVWGJNHUSA-N -2 1 418.380 4.460 50 0 HIAAML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1C ZINC000016345332 558787079 /nfs/dbraw/zinc/78/70/79/558787079.db2.gz NVESVIASOAIPMQ-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000033253931 558922297 /nfs/dbraw/zinc/92/22/97/558922297.db2.gz WFMXMXUCLFOGCN-UHFFFAOYSA-N -2 1 408.495 4.260 50 0 HIAAML O=C([O-])c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000020616635 568638358 /nfs/dbraw/zinc/63/83/58/568638358.db2.gz DSBSRBNOUFKMKN-LVWGJNHUSA-N -2 1 400.390 4.321 50 0 HIAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000035397373 569034843 /nfs/dbraw/zinc/03/48/43/569034843.db2.gz FCCURHNPWJNJKM-UHFFFAOYSA-N -2 1 419.547 4.132 50 0 HIAAML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)ccc2C)cc1 ZINC000001196431 557237922 /nfs/dbraw/zinc/23/79/22/557237922.db2.gz YCTLHPTUNMCBMJ-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013059959 558509631 /nfs/dbraw/zinc/50/96/31/558509631.db2.gz BHLLWWGOTWNRMJ-UHFFFAOYSA-N -2 1 400.431 4.377 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1C ZINC000033253887 558921983 /nfs/dbraw/zinc/92/19/83/558921983.db2.gz XJJRMRBBBKPBRY-UHFFFAOYSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)o1 ZINC000226353126 559273625 /nfs/dbraw/zinc/27/36/25/559273625.db2.gz OBMBSODUGJEQMR-UHFFFAOYSA-N -2 1 422.256 4.208 50 0 HIAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000013342524 845915180 /nfs/dbraw/zinc/91/51/80/845915180.db2.gz RHGYBSVTUJBBAT-UHFFFAOYSA-N -2 1 412.197 4.094 50 0 HIAAML CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000032962070 521043187 /nfs/dbraw/zinc/04/31/87/521043187.db2.gz MIHJNAKJQYVXOX-UHFFFAOYSA-N -2 1 408.907 4.075 50 0 HIAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000033254011 558922472 /nfs/dbraw/zinc/92/24/72/558922472.db2.gz FLBFDKJGVDPIIN-UHFFFAOYSA-N -2 1 408.495 4.260 50 0 HIAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)ccc1Cl ZINC000005602257 560629158 /nfs/dbraw/zinc/62/91/58/560629158.db2.gz KRZLHIOPGGUGMC-UHFFFAOYSA-N -2 1 401.871 4.430 50 0 HIAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1C ZINC000033253968 558922293 /nfs/dbraw/zinc/92/22/93/558922293.db2.gz USUUQQUPBKFNHU-CQSZACIVSA-N -2 1 416.543 4.347 50 0 HIAAML Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)c2)cs1 ZINC000005135127 559250312 /nfs/dbraw/zinc/25/03/12/559250312.db2.gz IFBXYEKMJJFSNM-UHFFFAOYSA-N -2 1 402.497 4.234 50 0 HIAAML Cc1cccc(S(=O)(=O)[N-]c2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000035397527 569034993 /nfs/dbraw/zinc/03/49/93/569034993.db2.gz VFMWBOHOIYTXSK-UHFFFAOYSA-N -2 1 419.547 4.007 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1C(=O)[O-] ZINC000014898584 558678279 /nfs/dbraw/zinc/67/82/79/558678279.db2.gz CVNBJIXNDBGOQC-UHFFFAOYSA-N -2 1 405.419 4.148 50 0 HIAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC000033253934 558922284 /nfs/dbraw/zinc/92/22/84/558922284.db2.gz KJXUZPIXZNCCLE-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc2s1 ZINC000019356996 560872798 /nfs/dbraw/zinc/87/27/98/560872798.db2.gz RQMXXZXBUAOHGI-UHFFFAOYSA-N -2 1 414.917 4.171 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397513 557544583 /nfs/dbraw/zinc/54/45/83/557544583.db2.gz FYONNBACNCBIID-UHFFFAOYSA-N -2 1 419.547 4.007 50 0 HIAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)cc1 ZINC000005234549 557640875 /nfs/dbraw/zinc/64/08/75/557640875.db2.gz RCJTYOSXJREXPQ-UHFFFAOYSA-N -2 1 406.257 4.101 50 0 HIAAML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)cc1 ZINC000000888020 568740356 /nfs/dbraw/zinc/74/03/56/568740356.db2.gz XDZQZNVBDPDMBZ-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1C ZINC000064580632 569068562 /nfs/dbraw/zinc/06/85/62/569068562.db2.gz KBGGDOWONHKVAQ-AWEZNQCLSA-N -2 1 402.516 4.039 50 0 HIAAML Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000033253896 558921911 /nfs/dbraw/zinc/92/19/11/558921911.db2.gz VRXOLZTZYXWDRM-UHFFFAOYSA-N -2 1 402.516 4.039 50 0 HIAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)ccc1Cl ZINC000012521168 568841729 /nfs/dbraw/zinc/84/17/29/568841729.db2.gz XYKVSKBTGJKEJY-UHFFFAOYSA-N -2 1 423.874 4.271 50 0 HIAAML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C(C)C)cc1Br ZINC000032602080 525423171 /nfs/dbraw/zinc/42/31/71/525423171.db2.gz DSHWQRPNYNSPAK-UHFFFAOYSA-N -2 1 412.305 4.380 50 0 HIAAML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)c1 ZINC000001196974 557238286 /nfs/dbraw/zinc/23/82/86/557238286.db2.gz FCRLQWTVZZTRKW-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML Cc1ccccc1S(=O)(=O)[N-]c1cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000035397523 557544837 /nfs/dbraw/zinc/54/48/37/557544837.db2.gz OVSYAXBGRYDVFL-UHFFFAOYSA-N -2 1 419.547 4.007 50 0 HIAAML Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1 ZINC000033253918 558921899 /nfs/dbraw/zinc/92/18/99/558921899.db2.gz MFNAXEWCJRIBNY-UHFFFAOYSA-N -2 1 424.522 4.439 50 0 HIAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000033253926 558922249 /nfs/dbraw/zinc/92/22/49/558922249.db2.gz GRNUMCZGANZNQM-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML CCCCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cc1 ZINC000095953128 568668052 /nfs/dbraw/zinc/66/80/52/568668052.db2.gz KVXVEQHPKMICRM-UHFFFAOYSA-N -2 1 412.305 4.291 50 0 HIAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000033253924 558922310 /nfs/dbraw/zinc/92/23/10/558922310.db2.gz DBKRMETVKRZNKJ-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c(C)c1 ZINC000033253886 568512075 /nfs/dbraw/zinc/51/20/75/568512075.db2.gz LOLCQZOEEFHYOR-UHFFFAOYSA-N -2 1 402.516 4.039 50 0 HIAAML COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000013809837 558595250 /nfs/dbraw/zinc/59/52/50/558595250.db2.gz NLOLDCJAJMMYCK-SXGWCWSVSA-N -2 1 401.465 4.302 50 0 HIAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000033254002 558922404 /nfs/dbraw/zinc/92/24/04/558922404.db2.gz IEARIESLJNIHST-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000000710975 568465174 /nfs/dbraw/zinc/46/51/74/568465174.db2.gz HKOJLXXZRHTEOX-UHFFFAOYSA-N -2 1 424.478 4.055 50 0 HIAAML Cc1cc([O-])c(CC(Cc2c([O-])cc(C)oc2=O)c2ccc(C(C)C)cc2)c(=O)o1 ZINC000016756410 558805835 /nfs/dbraw/zinc/80/58/35/558805835.db2.gz HKBNBEVFQIPOJH-UHFFFAOYSA-N -2 1 410.466 4.313 50 0 HIAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1 ZINC000033253905 558922007 /nfs/dbraw/zinc/92/20/07/558922007.db2.gz TXCJOFSOCMDHNG-UHFFFAOYSA-N -2 1 424.522 4.439 50 0 HIAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000033254008 558922379 /nfs/dbraw/zinc/92/23/79/558922379.db2.gz DXSYSTPAJCWYID-UHFFFAOYSA-N -2 1 404.532 4.374 50 0 HIAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000033254001 558922392 /nfs/dbraw/zinc/92/23/92/558922392.db2.gz WSWQGBRKYCUIRT-UHFFFAOYSA-N -2 1 404.532 4.429 50 0 HIAAML