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(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001446227540 1066675781 /nfs/dbraw/zinc/67/57/81/1066675781.db2.gz GQMCCVOAIAPJKC-UHFFFAOYSA-N -2 3 455.294 4.891 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC001546105716 1067233368 /nfs/dbraw/zinc/23/33/68/1067233368.db2.gz TVIQDKOMTTUMSF-QXAKKESOSA-N -2 3 458.580 4.747 20 0 JJADHL CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001453877185 1067333664 /nfs/dbraw/zinc/33/36/64/1067333664.db2.gz HOPONCBSMWPLCB-VXKWHMMOSA-N -2 3 470.978 4.768 20 0 JJADHL C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001440496945 1065944634 /nfs/dbraw/zinc/94/46/34/1065944634.db2.gz SWLCLRDEFSYPRS-INIZCTEOSA-N -2 3 458.967 4.598 20 0 JJADHL C[C@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441641284 1066057165 /nfs/dbraw/zinc/05/71/65/1066057165.db2.gz IPEDPENVIAQHDU-CYBMUJFWSA-N -2 3 450.969 4.741 20 0 JJADHL C[C@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC001443549032 1066328110 /nfs/dbraw/zinc/32/81/10/1066328110.db2.gz MYMFIGZTDZTRNY-HNNXBMFYSA-N -2 3 456.951 4.685 20 0 JJADHL CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001444497160 1066468126 /nfs/dbraw/zinc/46/81/26/1066468126.db2.gz DPGBGDITYOPUIX-MGPUTAFESA-N -2 3 450.988 4.887 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001546105714 1067233209 /nfs/dbraw/zinc/23/32/09/1067233209.db2.gz TVIQDKOMTTUMSF-BHIYHBOVSA-N -2 3 458.580 4.747 20 0 JJADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccc([O-])c1F ZINC001463621348 1068469471 /nfs/dbraw/zinc/46/94/71/1068469471.db2.gz UZZKFHBFWAUQND-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])c2)n1 ZINC001441567664 1066051680 /nfs/dbraw/zinc/05/16/80/1066051680.db2.gz YXDXQTWQTMFREI-UHFFFAOYSA-N -2 3 450.495 4.717 20 0 JJADHL CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCCCC1 ZINC001442780046 1066221761 /nfs/dbraw/zinc/22/17/61/1066221761.db2.gz FQVUDOVYIFLIDQ-FQEVSTJZSA-N -2 3 450.988 4.935 20 0 JJADHL C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445319096 1066556487 /nfs/dbraw/zinc/55/64/87/1066556487.db2.gz APCVPBYBFVFMRV-LIRRHRJNSA-N -2 3 450.988 4.791 20 0 JJADHL C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853629 1064263146 /nfs/dbraw/zinc/26/31/46/1064263146.db2.gz QCKRSOFPNOZUDU-CYBMUJFWSA-N -2 3 458.586 4.960 20 0 JJADHL C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001440496955 1065944588 /nfs/dbraw/zinc/94/45/88/1065944588.db2.gz SWLCLRDEFSYPRS-MRXNPFEDSA-N -2 3 458.967 4.598 20 0 JJADHL CC[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1ccccc1 ZINC001442769002 1066159014 /nfs/dbraw/zinc/15/90/14/1066159014.db2.gz PBVZOZXKTYTTNQ-MRXNPFEDSA-N -2 3 458.967 4.770 20 0 JJADHL C[C@@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC001443549041 1066328756 /nfs/dbraw/zinc/32/87/56/1066328756.db2.gz MYMFIGZTDZTRNY-OAHLLOKOSA-N -2 3 456.951 4.685 20 0 JJADHL CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445051772 1066534320 /nfs/dbraw/zinc/53/43/20/1066534320.db2.gz FVAJFRVUIOYFSA-QRWLVFNGSA-N -2 3 450.988 4.887 20 0 JJADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC001546096203 1066958446 /nfs/dbraw/zinc/95/84/46/1066958446.db2.gz CLAVNBMZMFKJJF-UHFFFAOYSA-N -2 3 453.713 4.790 20 0 JJADHL CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001444497154 1066468070 /nfs/dbraw/zinc/46/80/70/1066468070.db2.gz DPGBGDITYOPUIX-FOIQADDNSA-N -2 3 450.988 4.887 20 0 JJADHL CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001444497164 1066468238 /nfs/dbraw/zinc/46/82/38/1066468238.db2.gz DPGBGDITYOPUIX-QRWLVFNGSA-N -2 3 450.988 4.887 20 0 JJADHL CC[C@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001457001351 1066739057 /nfs/dbraw/zinc/73/90/57/1066739057.db2.gz KONFSUXPIHLSHV-NRFANRHFSA-N -2 3 456.951 4.954 20 0 JJADHL O=C([N-][C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453687296 1067322920 /nfs/dbraw/zinc/32/29/20/1067322920.db2.gz ZNZCJKHQSUNSFH-FOIQADDNSA-N -2 3 476.882 4.876 20 0 JJADHL CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441042335 1066002543 /nfs/dbraw/zinc/00/25/43/1066002543.db2.gz YFAGOAKXVLKSNN-UHFFFAOYSA-N -2 3 450.969 4.570 20 0 JJADHL CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445051764 1066534467 /nfs/dbraw/zinc/53/44/67/1066534467.db2.gz FVAJFRVUIOYFSA-FOIQADDNSA-N -2 3 450.988 4.887 20 0 JJADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001456608539 1066641561 /nfs/dbraw/zinc/64/15/61/1066641561.db2.gz RNOUNTITSUDJTF-UHFFFAOYSA-N -2 3 455.294 4.891 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)/C(C)=C\C2CCC(C)CC2)c1 ZINC001446705229 1066732392 /nfs/dbraw/zinc/73/23/92/1066732392.db2.gz BFOQDTIKZUWFEZ-VKAVYKQESA-N -2 3 458.580 4.913 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC001546105747 1067233734 /nfs/dbraw/zinc/23/37/34/1067233734.db2.gz UZVBHQRWQZLLPG-HSZRJFAPSA-N -2 3 454.548 4.580 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1C ZINC001463603634 1068462428 /nfs/dbraw/zinc/46/24/28/1068462428.db2.gz KMIQJKZGZWBCPK-UHFFFAOYSA-N -2 3 454.548 4.886 20 0 JJADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(F)c1[O-] ZINC001463625483 1068472022 /nfs/dbraw/zinc/47/20/22/1068472022.db2.gz LBWKVMBGRURPKA-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853630 1064263227 /nfs/dbraw/zinc/26/32/27/1064263227.db2.gz QCKRSOFPNOZUDU-ZDUSSCGKSA-N -2 3 458.586 4.960 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C2CCC2)C2CCC2)c1 ZINC001446718388 1066734113 /nfs/dbraw/zinc/73/41/13/1066734113.db2.gz YTHGHPRWSLQIFK-UHFFFAOYSA-N -2 3 458.580 4.747 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@@H](C)c2ccccc2)c1 ZINC001546105483 1067228700 /nfs/dbraw/zinc/22/87/00/1067228700.db2.gz JLEDVOGCTIUKKN-QGZVFWFLSA-N -2 3 454.548 4.724 20 0 JJADHL CCSc1cccc(Br)c1[N-]C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001460578806 1067660288 /nfs/dbraw/zinc/66/02/88/1067660288.db2.gz DGDMXHDTNLFOQB-UHFFFAOYSA-N -2 3 451.264 4.585 20 0 JJADHL CC[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1ccccc1 ZINC001442768994 1066159036 /nfs/dbraw/zinc/15/90/36/1066159036.db2.gz PBVZOZXKTYTTNQ-INIZCTEOSA-N -2 3 458.967 4.770 20 0 JJADHL C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445319093 1066556610 /nfs/dbraw/zinc/55/66/10/1066556610.db2.gz APCVPBYBFVFMRV-KUHUBIRLSA-N -2 3 450.988 4.791 20 0 JJADHL C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445319087 1066556727 /nfs/dbraw/zinc/55/67/27/1066556727.db2.gz APCVPBYBFVFMRV-AUUYWEPGSA-N -2 3 450.988 4.791 20 0 JJADHL Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464157618 1068636905 /nfs/dbraw/zinc/63/69/05/1068636905.db2.gz GLNPEYAKSBWJCY-UHFFFAOYSA-N -2 3 450.438 4.773 20 0 JJADHL O=C(N[C@H](c1ccccc1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441014805 1066000918 /nfs/dbraw/zinc/00/09/18/1066000918.db2.gz XAXPIHIDAYPSOI-JOCHJYFZSA-N -2 3 456.951 4.728 20 0 JJADHL CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001443069941 1066262381 /nfs/dbraw/zinc/26/23/81/1066262381.db2.gz XRINBWRBDRQWDM-GOSISDBHSA-N -2 3 458.967 4.598 20 0 JJADHL O=C(NCCCCC1CCCC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001444863146 1066514219 /nfs/dbraw/zinc/51/42/19/1066514219.db2.gz WAKAEYBTNNEYMU-UHFFFAOYSA-N -2 3 450.988 4.937 20 0 JJADHL O=C(Nc1cncc2ccccc21)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001447186949 1066780788 /nfs/dbraw/zinc/78/07/88/1066780788.db2.gz ZYHZRQMLWZMRMY-UHFFFAOYSA-N -2 3 453.907 4.647 20 0 JJADHL O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001463601823 1068461899 /nfs/dbraw/zinc/46/18/99/1068461899.db2.gz FBSHUSJCMQXXNC-UHFFFAOYSA-N -2 3 455.294 4.891 20 0 JJADHL Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])c(C)c1 ZINC001464065232 1068603455 /nfs/dbraw/zinc/60/34/55/1068603455.db2.gz JCRSHQMDPCFHQP-UHFFFAOYSA-N -2 3 458.967 4.702 20 0 JJADHL Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC001440390315 1065937573 /nfs/dbraw/zinc/93/75/73/1065937573.db2.gz VDRWJAJXPZONQD-UHFFFAOYSA-N -2 3 458.923 4.528 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)/C(C)=C/C2CCC(C)CC2)c1 ZINC001446705228 1066732303 /nfs/dbraw/zinc/73/23/03/1066732303.db2.gz BFOQDTIKZUWFEZ-SAPNQHFASA-N -2 3 458.580 4.913 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2C2CCC2)c1 ZINC001446707246 1066732978 /nfs/dbraw/zinc/73/29/78/1066732978.db2.gz HUZBBWADOGCJSM-UHFFFAOYSA-N -2 3 452.532 4.721 20 0 JJADHL CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2[O-])cc1C ZINC001446706901 1066733041 /nfs/dbraw/zinc/73/30/41/1066733041.db2.gz GUOOGNJEHLVNIJ-UHFFFAOYSA-N -2 3 458.923 4.610 20 0 JJADHL CC[C@@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001457001353 1066739128 /nfs/dbraw/zinc/73/91/28/1066739128.db2.gz KONFSUXPIHLSHV-OAQYLSRUSA-N -2 3 456.951 4.954 20 0 JJADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC001457758567 1066913268 /nfs/dbraw/zinc/91/32/68/1066913268.db2.gz FBCNSUZTTGAYQY-UHFFFAOYSA-N -2 3 459.955 4.727 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC001546105717 1067233265 /nfs/dbraw/zinc/23/32/65/1067233265.db2.gz TVIQDKOMTTUMSF-YTQUADARSA-N -2 3 458.580 4.747 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC001546105748 1067233885 /nfs/dbraw/zinc/23/38/85/1067233885.db2.gz UZVBHQRWQZLLPG-QHCPKHFHSA-N -2 3 454.548 4.580 20 0 JJADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([O-])c(F)c1 ZINC001463626558 1068472863 /nfs/dbraw/zinc/47/28/63/1068472863.db2.gz PZIGSHFPHPTXIG-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003446170 194326956 /nfs/dbraw/zinc/32/69/56/194326956.db2.gz RAPHNNWAFPYNSF-UHFFFAOYSA-N -2 3 490.912 4.960 20 0 JJADHL CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCCCC1 ZINC001442780053 1066221844 /nfs/dbraw/zinc/22/18/44/1066221844.db2.gz FQVUDOVYIFLIDQ-HXUWFJFHSA-N -2 3 450.988 4.935 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3sccc3c2)c1 ZINC001446709138 1066732855 /nfs/dbraw/zinc/73/28/55/1066732855.db2.gz JGXFKVDWOCQOOS-UHFFFAOYSA-N -2 3 454.529 4.669 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cccc3C)o2)c1 ZINC001446713802 1066733577 /nfs/dbraw/zinc/73/35/77/1066733577.db2.gz QWWHONNMXGDYDY-UHFFFAOYSA-N -2 3 452.488 4.509 20 0 JJADHL CCNc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001447646767 1066834928 /nfs/dbraw/zinc/83/49/28/1066834928.db2.gz VUSYZDGNIOCABU-UHFFFAOYSA-N -2 3 459.955 4.839 20 0 JJADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc(F)ccc1[O-] ZINC001463624809 1068471421 /nfs/dbraw/zinc/47/14/21/1068471421.db2.gz KQVLIRIBLNYSIY-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC001464188444 1068648433 /nfs/dbraw/zinc/64/84/33/1068648433.db2.gz JYENQKZNAJHALP-UHFFFAOYSA-N -2 3 450.438 4.773 20 0 JJADHL CC(C)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1cccs1 ZINC001444137357 1066412523 /nfs/dbraw/zinc/41/25/23/1066412523.db2.gz OZOWUCGOTMQNGH-UHFFFAOYSA-N -2 3 450.969 4.573 20 0 JJADHL CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCC1 ZINC001446169814 1066668929 /nfs/dbraw/zinc/66/89/29/1066668929.db2.gz TZALQEPZVXTHRL-HXUWFJFHSA-N -2 3 450.988 4.935 20 0 JJADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001449197772 1066988841 /nfs/dbraw/zinc/98/88/41/1066988841.db2.gz DCUOQFZXBNDMRR-UHFFFAOYSA-N -2 3 452.866 4.685 20 0 JJADHL O=C(NCC1CCCCCCC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441885464 1066077744 /nfs/dbraw/zinc/07/77/44/1066077744.db2.gz NSTDMJLZQFYQSH-UHFFFAOYSA-N -2 3 450.988 4.937 20 0 JJADHL CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001443069945 1066262565 /nfs/dbraw/zinc/26/25/65/1066262565.db2.gz XRINBWRBDRQWDM-SFHVURJKSA-N -2 3 458.967 4.598 20 0 JJADHL O=C(Nc1cccc(F)c1[O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001454759598 1066331075 /nfs/dbraw/zinc/33/10/75/1066331075.db2.gz VWYAPFRWMRZILS-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445319090 1066556511 /nfs/dbraw/zinc/55/65/11/1066556511.db2.gz APCVPBYBFVFMRV-IFXJQAMLSA-N -2 3 450.988 4.791 20 0 JJADHL CCCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCC1 ZINC001446169811 1066668802 /nfs/dbraw/zinc/66/88/02/1066668802.db2.gz TZALQEPZVXTHRL-FQEVSTJZSA-N -2 3 450.988 4.935 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@H](C)c2ccccc2)c1 ZINC001546105482 1067228858 /nfs/dbraw/zinc/22/88/58/1067228858.db2.gz JLEDVOGCTIUKKN-KRWDZBQOSA-N -2 3 454.548 4.724 20 0 JJADHL CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001444497169 1066468252 /nfs/dbraw/zinc/46/82/52/1066468252.db2.gz DPGBGDITYOPUIX-YWZLYKJASA-N -2 3 450.988 4.887 20 0 JJADHL CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445051776 1066534164 /nfs/dbraw/zinc/53/41/64/1066534164.db2.gz FVAJFRVUIOYFSA-YWZLYKJASA-N -2 3 450.988 4.887 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC001446716853 1066734149 /nfs/dbraw/zinc/73/41/49/1066734149.db2.gz WAIVZTDEGDGJFO-HUUCEWRRSA-N -2 3 472.485 4.509 20 0 JJADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001546105715 1067233183 /nfs/dbraw/zinc/23/31/83/1067233183.db2.gz TVIQDKOMTTUMSF-NZSAHSFTSA-N -2 3 458.580 4.747 20 0 JJADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001440737286 1065973232 /nfs/dbraw/zinc/97/32/32/1065973232.db2.gz JGDGYFLLTKRZFL-UHFFFAOYSA-N -2 3 454.401 4.603 20 0 JJADHL C[C@@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441641289 1066057121 /nfs/dbraw/zinc/05/71/21/1066057121.db2.gz IPEDPENVIAQHDU-ZDUSSCGKSA-N -2 3 450.969 4.741 20 0 JJADHL CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001445051768 1066534104 /nfs/dbraw/zinc/53/41/04/1066534104.db2.gz FVAJFRVUIOYFSA-MGPUTAFESA-N -2 3 450.988 4.887 20 0 JJADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[n-]c2c1 ZINC001446465946 1066706935 /nfs/dbraw/zinc/70/69/35/1066706935.db2.gz IEFLMFZVMVSMLC-UHFFFAOYSA-N -2 3 451.935 4.539 20 0 JJADHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1Cl ZINC001450892915 1067133909 /nfs/dbraw/zinc/13/39/09/1067133909.db2.gz CRQKTKKQKKCHFS-UHFFFAOYSA-N -2 3 452.866 4.685 20 0 JJADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)c1ccc(Cl)c([O-])c1 ZINC001464349235 1068715130 /nfs/dbraw/zinc/71/51/30/1068715130.db2.gz ITRZTYRTSGAEME-UHFFFAOYSA-N -2 3 455.294 4.891 20 0 JJADHL O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001441014807 1066000833 /nfs/dbraw/zinc/00/08/33/1066000833.db2.gz XAXPIHIDAYPSOI-QFIPXVFZSA-N -2 3 456.951 4.728 20 0 JJADHL