smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O ZINC000000598406 210249105 /nfs/dbraw/zinc/24/91/05/210249105.db2.gz BLJDUFLWURYBFO-UHFFFAOYSA-N -1 3 367.898 5.093 50 10 FKCAHM Cc1ccc(C)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000000668633 570445737 /nfs/dbraw/zinc/44/57/37/570445737.db2.gz SMVGLVQESZULKI-JOCHJYFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc(C)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000000668638 570445861 /nfs/dbraw/zinc/44/58/61/570445861.db2.gz SMVGLVQESZULKI-QFIPXVFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000000684457 210262187 /nfs/dbraw/zinc/26/21/87/210262187.db2.gz FVNCTTVCJYWXDI-LAUBAEHRSA-N -1 3 362.454 5.004 50 10 FKCAHM CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000000801051 210273291 /nfs/dbraw/zinc/27/32/91/210273291.db2.gz ZKKAFFUMPPPNBY-QFIPXVFZSA-N -1 3 367.876 5.451 50 10 FKCAHM CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000000801052 570456925 /nfs/dbraw/zinc/45/69/25/570456925.db2.gz ZKKAFFUMPPPNBY-JOCHJYFZSA-N -1 3 367.876 5.451 50 10 FKCAHM CC(C)CC(=O)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000000801053 570456930 /nfs/dbraw/zinc/45/69/30/570456930.db2.gz CKMNSLDZNGQQFK-QFIPXVFZSA-N -1 3 367.876 5.451 50 10 FKCAHM CC(C)CC(=O)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000000801054 210272384 /nfs/dbraw/zinc/27/23/84/210272384.db2.gz CKMNSLDZNGQQFK-JOCHJYFZSA-N -1 3 367.876 5.451 50 10 FKCAHM CCCC(=O)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000000855797 210281654 /nfs/dbraw/zinc/28/16/54/210281654.db2.gz ZNZNMOOJUMIKCL-NRFANRHFSA-N -1 3 353.849 5.205 50 10 FKCAHM CCCC(=O)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000000855798 570461115 /nfs/dbraw/zinc/46/11/15/570461115.db2.gz ZNZNMOOJUMIKCL-OAQYLSRUSA-N -1 3 353.849 5.205 50 10 FKCAHM CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000000869238 571106253 /nfs/dbraw/zinc/10/62/53/571106253.db2.gz UWDWJZPBQFCTAQ-NRFANRHFSA-N -1 3 362.473 5.070 50 10 FKCAHM CCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000000869239 571106243 /nfs/dbraw/zinc/10/62/43/571106243.db2.gz UWDWJZPBQFCTAQ-OAQYLSRUSA-N -1 3 362.473 5.070 50 10 FKCAHM Cc1ccc([C@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2[O-])cc1 ZINC000000869248 203958801 /nfs/dbraw/zinc/95/88/01/203958801.db2.gz VXOYNYANFXYNKY-NRFANRHFSA-N -1 3 374.484 5.035 50 10 FKCAHM Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2[O-])cc1 ZINC000000869249 570461993 /nfs/dbraw/zinc/46/19/93/570461993.db2.gz VXOYNYANFXYNKY-OAQYLSRUSA-N -1 3 374.484 5.035 50 10 FKCAHM Cc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])c(C)c1 ZINC000000938888 571134713 /nfs/dbraw/zinc/13/47/13/571134713.db2.gz HNOOYYHKXONEOD-QFIPXVFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])c(C)c1 ZINC000000938889 219344009 /nfs/dbraw/zinc/34/40/09/219344009.db2.gz HNOOYYHKXONEOD-JOCHJYFZSA-N -1 3 355.441 5.154 50 10 FKCAHM [O-]c1c([C@@H](Nc2cccc(Cl)c2)c2ccccn2)ccc2cccnc21 ZINC000000939219 571135005 /nfs/dbraw/zinc/13/50/05/571135005.db2.gz MMSNCDJTSQXWCT-HXUWFJFHSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2cccc(Cl)c2)c2ccccn2)ccc2cccnc21 ZINC000000939220 571134956 /nfs/dbraw/zinc/13/49/56/571134956.db2.gz MMSNCDJTSQXWCT-FQEVSTJZSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccc(Cl)cc2)c2ccccn2)ccc2cccnc21 ZINC000000947301 206142876 /nfs/dbraw/zinc/14/28/76/206142876.db2.gz FQZXWUOBDWABRR-FQEVSTJZSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@@H](Nc2cccc(Cl)c2)c2ccncc2)ccc2cccnc21 ZINC000000947310 571138507 /nfs/dbraw/zinc/13/85/07/571138507.db2.gz WLUWONYFMQBFTB-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2cccc(Cl)c2)c2ccncc2)ccc2cccnc21 ZINC000000947311 210294749 /nfs/dbraw/zinc/29/47/49/210294749.db2.gz WLUWONYFMQBFTB-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM CSc1ccc([C@H](Nc2cccnc2)c2ccc3cccnc3c2[O-])cc1 ZINC000001066163 219362581 /nfs/dbraw/zinc/36/25/81/219362581.db2.gz YAXXVRCTZLAVRP-FQEVSTJZSA-N -1 3 373.481 5.259 50 10 FKCAHM CSc1ccc([C@@H](Nc2cccnc2)c2ccc3cccnc3c2[O-])cc1 ZINC000001066165 210311497 /nfs/dbraw/zinc/31/14/97/210311497.db2.gz YAXXVRCTZLAVRP-HXUWFJFHSA-N -1 3 373.481 5.259 50 10 FKCAHM [O-]c1c([C@H](Nc2cccnc2)c2ccc(Cl)cc2)ccc2cccnc21 ZINC000001066758 570478550 /nfs/dbraw/zinc/47/85/50/570478550.db2.gz NYUPVGJQENMROQ-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@@H](Nc2cccnc2)c2ccc(Cl)cc2)ccc2cccnc21 ZINC000001066763 570478661 /nfs/dbraw/zinc/47/86/61/570478661.db2.gz NYUPVGJQENMROQ-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2[O-])no1 ZINC000001099049 219369427 /nfs/dbraw/zinc/36/94/27/219369427.db2.gz KHODOHYLNGOJEK-SFHVURJKSA-N -1 3 365.820 5.092 50 10 aggregator FKCAHM Cc1cc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2[O-])no1 ZINC000001099050 219369748 /nfs/dbraw/zinc/36/97/48/219369748.db2.gz KHODOHYLNGOJEK-GOSISDBHSA-N -1 3 365.820 5.092 50 10 aggregator FKCAHM Cc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000001168662 570486810 /nfs/dbraw/zinc/48/68/10/570486810.db2.gz GVZQVZRICYOVPZ-NRFANRHFSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1cccc(N[C@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000001168663 570486860 /nfs/dbraw/zinc/48/68/60/570486860.db2.gz GVZQVZRICYOVPZ-OAQYLSRUSA-N -1 3 373.431 5.293 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)ccc2cccnc21 ZINC000001168711 570486794 /nfs/dbraw/zinc/48/67/94/570486794.db2.gz RDIURRMJOIJGSL-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)ccc2cccnc21 ZINC000001168712 219384542 /nfs/dbraw/zinc/38/45/42/219384542.db2.gz RDIURRMJOIJGSL-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000001169080 210329101 /nfs/dbraw/zinc/32/91/01/210329101.db2.gz OJAIFUHEEXDAOM-NRFANRHFSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000001169081 210328915 /nfs/dbraw/zinc/32/89/15/210328915.db2.gz OJAIFUHEEXDAOM-OAQYLSRUSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3C)c([O-])c2n1 ZINC000001171627 210328463 /nfs/dbraw/zinc/32/84/63/210328463.db2.gz LIRXDQGKAKZWIS-QFIPXVFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3C)c([O-])c2n1 ZINC000001171628 570487411 /nfs/dbraw/zinc/48/74/11/570487411.db2.gz LIRXDQGKAKZWIS-JOCHJYFZSA-N -1 3 355.441 5.154 50 10 FKCAHM CC(C)C(=O)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000001197082 570491618 /nfs/dbraw/zinc/49/16/18/570491618.db2.gz CIWRDWAUUPZWBL-FQEVSTJZSA-N -1 3 353.849 5.060 50 10 FKCAHM CC(C)C(=O)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000001197083 219388971 /nfs/dbraw/zinc/38/89/71/219388971.db2.gz CIWRDWAUUPZWBL-HXUWFJFHSA-N -1 3 353.849 5.060 50 10 FKCAHM [O-]c1c([C@@H](Nc2cccc(Cl)c2)c2cccnc2)ccc2cccnc21 ZINC000001463262 204009712 /nfs/dbraw/zinc/00/97/12/204009712.db2.gz STPHITWWERDACK-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2cccc(Cl)c2)c2cccnc2)ccc2cccnc21 ZINC000001463263 570501032 /nfs/dbraw/zinc/50/10/32/570501032.db2.gz STPHITWWERDACK-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM CCCCCCn1c2ccccc2nc1N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000001831318 204021261 /nfs/dbraw/zinc/02/12/61/204021261.db2.gz VYKWZBDPJRKISG-HNNXBMFYSA-N -1 3 371.912 6.149 50 10 FKCAHM CCCCCCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000001831319 571197648 /nfs/dbraw/zinc/19/76/48/571197648.db2.gz VYKWZBDPJRKISG-OAHLLOKOSA-N -1 3 371.912 6.149 50 10 FKCAHM CCCCC(=O)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002063564 204024975 /nfs/dbraw/zinc/02/49/75/204024975.db2.gz NANHNSVFVZOFPT-QFIPXVFZSA-N -1 3 367.876 5.595 50 10 FKCAHM CCCCC(=O)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002063565 570513183 /nfs/dbraw/zinc/51/31/83/570513183.db2.gz NANHNSVFVZOFPT-JOCHJYFZSA-N -1 3 367.876 5.595 50 10 FKCAHM CCc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000002073889 570513332 /nfs/dbraw/zinc/51/33/32/570513332.db2.gz AJSVECNNEHJUNH-QFIPXVFZSA-N -1 3 369.468 5.408 50 10 FKCAHM CCc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000002073890 570513364 /nfs/dbraw/zinc/51/33/64/570513364.db2.gz AJSVECNNEHJUNH-JOCHJYFZSA-N -1 3 369.468 5.408 50 10 FKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C)c(C)c3)c([O-])c2n1 ZINC000002086895 570514098 /nfs/dbraw/zinc/51/40/98/570514098.db2.gz HJIZPOSWCTXYAR-QFIPXVFZSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C)c(C)c3)c([O-])c2n1 ZINC000002086896 210380696 /nfs/dbraw/zinc/38/06/96/210380696.db2.gz HJIZPOSWCTXYAR-JOCHJYFZSA-N -1 3 369.468 5.462 50 10 FKCAHM [O-]c1ccc2ccccc2c1CNc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002174919 204028872 /nfs/dbraw/zinc/02/88/72/204028872.db2.gz SGDDMVSDOGOZPP-UHFFFAOYSA-N -1 3 366.873 5.934 50 10 FKCAHM O=C1c2ccccc2-c2c1c(O)c([O-])c(-c1ccccc1)c2-c1ccccc1 ZINC000002179674 570516342 /nfs/dbraw/zinc/51/63/42/570516342.db2.gz WTKNANZTIYDLDZ-UHFFFAOYSA-N -1 3 364.400 5.643 50 10 FKCAHM O=C1c2ccccc2-c2c1c([O-])c(O)c(-c1ccccc1)c2-c1ccccc1 ZINC000002179674 570516338 /nfs/dbraw/zinc/51/63/38/570516338.db2.gz WTKNANZTIYDLDZ-UHFFFAOYSA-N -1 3 364.400 5.643 50 10 FKCAHM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000002185907 210383459 /nfs/dbraw/zinc/38/34/59/210383459.db2.gz JXXYOLGVTGYMPU-LJQANCHMSA-N -1 3 359.897 6.144 50 10 FKCAHM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000002185908 210383165 /nfs/dbraw/zinc/38/31/65/210383165.db2.gz JXXYOLGVTGYMPU-IBGZPJMESA-N -1 3 359.897 6.144 50 10 FKCAHM CN(C)c1ccc(-c2nc3c(o2)c([O-])c(C(C)(C)C)cc3C(C)(C)C)cc1 ZINC000002268261 570518136 /nfs/dbraw/zinc/51/81/36/570518136.db2.gz CKSPANINKYQXGV-UHFFFAOYSA-N -1 3 366.505 5.861 50 10 FKCAHM CSc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002470350 571337162 /nfs/dbraw/zinc/33/71/62/571337162.db2.gz GCEZUMUYBLCRIV-FQEVSTJZSA-N -1 3 373.481 5.259 50 10 FKCAHM CSc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002470354 204041734 /nfs/dbraw/zinc/04/17/34/204041734.db2.gz GCEZUMUYBLCRIV-HXUWFJFHSA-N -1 3 373.481 5.259 50 10 FKCAHM CCCCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-] ZINC000002488166 571337291 /nfs/dbraw/zinc/33/72/91/571337291.db2.gz YXHNNUCABLCYSD-QGZVFWFLSA-N -1 3 374.893 5.051 50 10 FKCAHM CCCCC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-] ZINC000002488169 204041543 /nfs/dbraw/zinc/04/15/43/204041543.db2.gz YXHNNUCABLCYSD-KRWDZBQOSA-N -1 3 374.893 5.051 50 10 FKCAHM [O-]c1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000002544785 570524267 /nfs/dbraw/zinc/52/42/67/570524267.db2.gz LNISEDUAYXMWMJ-UHFFFAOYSA-N -1 3 370.246 5.559 50 10 FKCAHM [O-]c1ccc(Br)cc1CNc1ccc(C2CCCCC2)cc1 ZINC000002570608 571339105 /nfs/dbraw/zinc/33/91/05/571339105.db2.gz GTFANUNGKQXWGA-UHFFFAOYSA-N -1 3 360.295 5.815 50 10 FKCAHM CC(C)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002708476 571340448 /nfs/dbraw/zinc/34/04/48/571340448.db2.gz HYKCXUCTHRSDLM-QFIPXVFZSA-N -1 3 369.468 5.660 50 10 FKCAHM CC(C)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002708481 209396657 /nfs/dbraw/zinc/39/66/57/209396657.db2.gz HYKCXUCTHRSDLM-JOCHJYFZSA-N -1 3 369.468 5.660 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccc(Cl)cc2)c2ccccn2)ccc2cccnc21 ZINC000002708510 570665321 /nfs/dbraw/zinc/66/53/21/570665321.db2.gz FQZXWUOBDWABRR-HXUWFJFHSA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1cc(C)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c(C)c1 ZINC000002745556 204054023 /nfs/dbraw/zinc/05/40/23/204054023.db2.gz JEXROXHHDBQUAA-HSZRJFAPSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1cc(C)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c(C)c1 ZINC000002745557 570529880 /nfs/dbraw/zinc/52/98/80/570529880.db2.gz JEXROXHHDBQUAA-QHCPKHFHSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1cccc(N[C@@H](c2ccccc2C)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000002835117 570534807 /nfs/dbraw/zinc/53/48/07/570534807.db2.gz CJMZOSQIZSOMOE-QHCPKHFHSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1cccc(N[C@H](c2ccccc2C)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000002835118 204060765 /nfs/dbraw/zinc/06/07/65/204060765.db2.gz CJMZOSQIZSOMOE-HSZRJFAPSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1ccc([C@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000002870073 570540704 /nfs/dbraw/zinc/54/07/04/570540704.db2.gz LIZHBHDJURJEQM-DEOSSOPVSA-N -1 3 367.448 5.373 50 10 FKCAHM Cc1ccc([C@@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000002870074 570540748 /nfs/dbraw/zinc/54/07/48/570540748.db2.gz LIZHBHDJURJEQM-XMMPIXPASA-N -1 3 367.448 5.373 50 10 FKCAHM CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002872964 204065391 /nfs/dbraw/zinc/06/53/91/204065391.db2.gz OBSLLBGZNQWPID-NRFANRHFSA-N -1 3 353.849 5.205 50 10 FKCAHM CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002872965 570541182 /nfs/dbraw/zinc/54/11/82/570541182.db2.gz OBSLLBGZNQWPID-OAQYLSRUSA-N -1 3 353.849 5.205 50 10 FKCAHM CCc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002874296 570541605 /nfs/dbraw/zinc/54/16/05/570541605.db2.gz BLRVDQSWWDLAAA-QFIPXVFZSA-N -1 3 369.468 5.408 50 10 FKCAHM CCc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002874297 570541758 /nfs/dbraw/zinc/54/17/58/570541758.db2.gz BLRVDQSWWDLAAA-JOCHJYFZSA-N -1 3 369.468 5.408 50 10 FKCAHM Cc1ccnc(N[C@@H](c2cc(C)ccc2C)c2ccc3cccnc3c2[O-])c1 ZINC000002882580 204065527 /nfs/dbraw/zinc/06/55/27/204065527.db2.gz MJOVUJAJAWRAIY-HSZRJFAPSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1ccnc(N[C@H](c2cc(C)ccc2C)c2ccc3cccnc3c2[O-])c1 ZINC000002882581 204065540 /nfs/dbraw/zinc/06/55/40/204065540.db2.gz MJOVUJAJAWRAIY-QHCPKHFHSA-N -1 3 369.468 5.462 50 10 FKCAHM CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000002997513 570548877 /nfs/dbraw/zinc/54/88/77/570548877.db2.gz IDSZEOVUYLOAOW-QFIPXVFZSA-N -1 3 361.485 5.530 50 10 FKCAHM CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000002997514 570548907 /nfs/dbraw/zinc/54/89/07/570548907.db2.gz IDSZEOVUYLOAOW-JOCHJYFZSA-N -1 3 361.485 5.530 50 10 FKCAHM O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000002999504 204073631 /nfs/dbraw/zinc/07/36/31/204073631.db2.gz DNRKZQXZGPDJLA-JOCHJYFZSA-N -1 3 359.469 5.331 50 10 FKCAHM Cc1ccc(C)c([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000003003345 570549800 /nfs/dbraw/zinc/54/98/00/570549800.db2.gz CZEWGZDDBKYTDQ-HSZRJFAPSA-N -1 3 369.468 5.462 50 10 FKCAHM Cc1ccc(C)c([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000003003346 570549723 /nfs/dbraw/zinc/54/97/23/570549723.db2.gz CZEWGZDDBKYTDQ-QHCPKHFHSA-N -1 3 369.468 5.462 50 10 FKCAHM O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(F)cc1 ZINC000003070907 571344584 /nfs/dbraw/zinc/34/45/84/571344584.db2.gz IVNKFOMSTRWNNA-QHCPKHFHSA-N -1 3 371.411 5.204 50 10 FKCAHM O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(F)cc1 ZINC000003070908 571344628 /nfs/dbraw/zinc/34/46/28/571344628.db2.gz IVNKFOMSTRWNNA-HSZRJFAPSA-N -1 3 371.411 5.204 50 10 FKCAHM CN(C)c1ccc(-c2nc3c(o2)c(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc1 ZINC000003169868 209398749 /nfs/dbraw/zinc/39/87/49/209398749.db2.gz JHRCYXHCFDTOTM-UHFFFAOYSA-N -1 3 366.505 5.861 50 10 FKCAHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000003998847 571277678 /nfs/dbraw/zinc/27/76/78/571277678.db2.gz NIPBFFNWSFCRBD-FQEVSTJZSA-N -1 3 371.396 5.050 50 10 FKCAHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000003998848 571277671 /nfs/dbraw/zinc/27/76/71/571277671.db2.gz NIPBFFNWSFCRBD-HXUWFJFHSA-N -1 3 371.396 5.050 50 10 FKCAHM CCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004123935 570577751 /nfs/dbraw/zinc/57/77/51/570577751.db2.gz GKKHBDOWRWTQKO-NRFANRHFSA-N -1 3 355.441 5.099 50 10 FKCAHM CCc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000004123936 570577701 /nfs/dbraw/zinc/57/77/01/570577701.db2.gz GKKHBDOWRWTQKO-OAQYLSRUSA-N -1 3 355.441 5.099 50 10 FKCAHM Cc1cccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004123968 204123882 /nfs/dbraw/zinc/12/38/82/204123882.db2.gz MORLPFADZVXVTF-NRFANRHFSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1cccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004123969 570577607 /nfs/dbraw/zinc/57/76/07/570577607.db2.gz MORLPFADZVXVTF-OAQYLSRUSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccnc(N[C@@H](c2ccccc2C)c2ccc3cccnc3c2[O-])c1 ZINC000004123972 570577767 /nfs/dbraw/zinc/57/77/67/570577767.db2.gz PZMILTQIKJUYDG-QFIPXVFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccnc(N[C@H](c2ccccc2C)c2ccc3cccnc3c2[O-])c1 ZINC000004123973 204123652 /nfs/dbraw/zinc/12/36/52/204123652.db2.gz PZMILTQIKJUYDG-JOCHJYFZSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccnc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004178169 207004457 /nfs/dbraw/zinc/00/44/57/207004457.db2.gz YTLGWADVUKISIA-IBGZPJMESA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccnc(N[C@H](c2ccsc2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004178171 570580277 /nfs/dbraw/zinc/58/02/77/570580277.db2.gz YTLGWADVUKISIA-LJQANCHMSA-N -1 3 361.470 5.215 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccccc2Cl)ccc2cccnc21 ZINC000004178907 204126102 /nfs/dbraw/zinc/12/61/02/204126102.db2.gz RGPCTXYEMALQFR-FQEVSTJZSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccccc2Cl)ccc2cccnc21 ZINC000004178909 204125532 /nfs/dbraw/zinc/12/55/32/204125532.db2.gz RGPCTXYEMALQFR-HXUWFJFHSA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000004349492 570586130 /nfs/dbraw/zinc/58/61/30/570586130.db2.gz FVNCTTVCJYWXDI-UWJYYQICSA-N -1 3 362.454 5.004 50 10 FKCAHM Cc1ccc(N(Cc2c([O-])ccc3ccccc32)C(=O)c2ccco2)cc1 ZINC000004504556 570593247 /nfs/dbraw/zinc/59/32/47/570593247.db2.gz VDHLCQUKNDHRDU-UHFFFAOYSA-N -1 3 357.409 5.294 50 10 FKCAHM Cc1ccnc(N[C@@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004631192 207034692 /nfs/dbraw/zinc/03/46/92/207034692.db2.gz GNDZBZLEBPQIFG-NRFANRHFSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1ccnc(N[C@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004631193 570598242 /nfs/dbraw/zinc/59/82/42/570598242.db2.gz GNDZBZLEBPQIFG-OAQYLSRUSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729235 571200576 /nfs/dbraw/zinc/20/05/76/571200576.db2.gz SEVYGCRNUSIQMJ-GMAHTHKFSA-N -1 3 360.432 5.062 50 10 FKCAHM Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729237 204159597 /nfs/dbraw/zinc/15/95/97/204159597.db2.gz SEVYGCRNUSIQMJ-JTHBVZDNSA-N -1 3 360.432 5.062 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729484 207043636 /nfs/dbraw/zinc/04/36/36/207043636.db2.gz ORYSBGOXJXGOMO-UPVQGACJSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729486 571200734 /nfs/dbraw/zinc/20/07/34/571200734.db2.gz ORYSBGOXJXGOMO-LADGPHEKSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729487 204158814 /nfs/dbraw/zinc/15/88/14/204158814.db2.gz ORYSBGOXJXGOMO-VWNXMTODSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729523 210556385 /nfs/dbraw/zinc/55/63/85/210556385.db2.gz FYSDDUSCKJYACY-FPOVZHCZSA-N -1 3 356.897 5.114 50 10 FKCAHM CCc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729525 571200729 /nfs/dbraw/zinc/20/07/29/571200729.db2.gz FYSDDUSCKJYACY-PZJWPPBQSA-N -1 3 356.897 5.114 50 10 FKCAHM CCc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729527 204159657 /nfs/dbraw/zinc/15/96/57/204159657.db2.gz FYSDDUSCKJYACY-CTNGQTDRSA-N -1 3 356.897 5.114 50 10 FKCAHM CCc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729528 210556430 /nfs/dbraw/zinc/55/64/30/210556430.db2.gz FYSDDUSCKJYACY-TZIWHRDSSA-N -1 3 356.897 5.114 50 10 FKCAHM CCc1ccc(C2=N[C@@](C)(CC)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729719 204158891 /nfs/dbraw/zinc/15/88/91/204158891.db2.gz GZTNONONGGFCRD-PZJWPPBQSA-N -1 3 356.897 5.258 50 10 FKCAHM CCc1ccc(C2=N[C@@](C)(CC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729724 204159578 /nfs/dbraw/zinc/15/95/78/204159578.db2.gz GZTNONONGGFCRD-TZIWHRDSSA-N -1 3 356.897 5.258 50 10 FKCAHM CCc1ccc(C2=N[C@](C)(CC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000004729726 571201082 /nfs/dbraw/zinc/20/10/82/571201082.db2.gz GZTNONONGGFCRD-CTNGQTDRSA-N -1 3 356.897 5.258 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729751 207043647 /nfs/dbraw/zinc/04/36/47/207043647.db2.gz SGXVQHQYAMRXNE-ZCYQVOJMSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729753 204159633 /nfs/dbraw/zinc/15/96/33/204159633.db2.gz SGXVQHQYAMRXNE-NOZRDPDXSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729755 207043138 /nfs/dbraw/zinc/04/31/38/207043138.db2.gz SGXVQHQYAMRXNE-ILBGXUMGSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004730087 204159587 /nfs/dbraw/zinc/15/95/87/204159587.db2.gz VISQLGHWOGKDQM-UPVQGACJSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004730088 207042876 /nfs/dbraw/zinc/04/28/76/207042876.db2.gz VISQLGHWOGKDQM-LADGPHEKSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004730089 571201014 /nfs/dbraw/zinc/20/10/14/571201014.db2.gz VISQLGHWOGKDQM-VWNXMTODSA-N -1 3 374.459 5.316 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004730091 207043939 /nfs/dbraw/zinc/04/39/39/207043939.db2.gz VISQLGHWOGKDQM-ISKFKSNPSA-N -1 3 374.459 5.316 50 10 FKCAHM CC(C)(C)c1ccc(Nc2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004792816 570606574 /nfs/dbraw/zinc/60/65/74/570606574.db2.gz CIRKBTHGOBCLSB-UHFFFAOYSA-N -1 3 371.436 5.209 50 10 FKCAHM [O-]c1ccc(F)cc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000004824056 207053092 /nfs/dbraw/zinc/05/30/92/207053092.db2.gz ZKBXOHASPKMUPP-FQEVSTJZSA-N -1 3 366.823 5.540 50 10 FKCAHM [O-]c1ccc(F)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000004824063 570517021 /nfs/dbraw/zinc/51/70/21/570517021.db2.gz ZKBXOHASPKMUPP-HXUWFJFHSA-N -1 3 366.823 5.540 50 10 FKCAHM [O-]c1ccc(F)cc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000004833656 204167670 /nfs/dbraw/zinc/16/76/70/204167670.db2.gz YZKKSGGDZJHPFY-FQEVSTJZSA-N -1 3 350.368 5.026 50 10 FKCAHM [O-]c1ccc(F)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000004833659 570609090 /nfs/dbraw/zinc/60/90/90/570609090.db2.gz YZKKSGGDZJHPFY-HXUWFJFHSA-N -1 3 350.368 5.026 50 10 FKCAHM [O-]c1c2ccccc2ccc1C1=Nc2ccccc2N=C(C(F)(F)F)C1 ZINC000004863110 570552661 /nfs/dbraw/zinc/55/26/61/570552661.db2.gz HJIYBSLODDMCIA-UHFFFAOYSA-N -1 3 354.331 5.705 50 10 FKCAHM O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)c3ccccc3c([O-])c21 ZINC000004981633 207068530 /nfs/dbraw/zinc/06/85/30/207068530.db2.gz PPQJDRDHTNJJPR-UHFFFAOYSA-N -1 3 365.388 5.064 50 10 FKCAHM CCCCc1ccc(N=Nc2[n-]n(-c3cccc(Cl)c3)c(=O)c2C)cc1 ZINC000004989690 219634318 /nfs/dbraw/zinc/63/43/18/219634318.db2.gz FDEBWDMEPPVBIL-DGIAWOHRSA-N -1 3 368.868 5.763 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccc2Cl)c2ccccn2)ccc2cccnc21 ZINC000005009295 570574563 /nfs/dbraw/zinc/57/45/63/570574563.db2.gz IAJRVTFCVHTOBV-FQEVSTJZSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccc2Cl)c2ccccn2)ccc2cccnc21 ZINC000005009296 570574539 /nfs/dbraw/zinc/57/45/39/570574539.db2.gz IAJRVTFCVHTOBV-HXUWFJFHSA-N -1 3 361.832 5.190 50 10 FKCAHM CCc1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1[O-] ZINC000005009297 207070582 /nfs/dbraw/zinc/07/05/82/207070582.db2.gz SRAARUSKMRWUGS-QFIPXVFZSA-N -1 3 355.441 5.099 50 10 FKCAHM CCc1ccccc1N[C@@H](c1ccccn1)c1ccc2cccnc2c1[O-] ZINC000005009298 219639366 /nfs/dbraw/zinc/63/93/66/219639366.db2.gz SRAARUSKMRWUGS-JOCHJYFZSA-N -1 3 355.441 5.099 50 10 FKCAHM Cc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1C ZINC000005009305 207071267 /nfs/dbraw/zinc/07/12/67/207071267.db2.gz CASMHCYOFNJALE-NRFANRHFSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1C ZINC000005009306 570617919 /nfs/dbraw/zinc/61/79/19/570617919.db2.gz CASMHCYOFNJALE-OAQYLSRUSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000005102422 570621175 /nfs/dbraw/zinc/62/11/75/570621175.db2.gz DGBXBTUKPYXYLT-NRFANRHFSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1cccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000005102423 204192342 /nfs/dbraw/zinc/19/23/42/204192342.db2.gz DGBXBTUKPYXYLT-OAQYLSRUSA-N -1 3 373.431 5.293 50 10 FKCAHM O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccccc1[O-] ZINC000005174078 204195164 /nfs/dbraw/zinc/19/51/64/204195164.db2.gz NXEHOQQGHFQVAW-NBVRZTHBSA-N -1 3 373.839 5.517 50 10 FKCAHM COc1ccc(Cc2c(=O)c3ccccc3c3nc4ccccc4[n-]c2-3)cc1 ZINC000005324801 570623508 /nfs/dbraw/zinc/62/35/08/570623508.db2.gz CTNCLEGDHSFHJA-UHFFFAOYSA-N -1 3 366.420 5.241 50 10 FKCAHM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cccc2ccccc21 ZINC000005442708 570656254 /nfs/dbraw/zinc/65/62/54/570656254.db2.gz LNBXAWDXHROAIN-XSFVSMFZSA-N -1 3 355.441 5.175 50 10 FKCAHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc2ccccc2c1 ZINC000005575885 570677317 /nfs/dbraw/zinc/67/73/17/570677317.db2.gz RFLYTDGGUSYCSK-MOSHPQCFSA-N -1 3 361.832 5.212 50 10 FKCAHM [O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000005737395 210231420 /nfs/dbraw/zinc/23/14/20/210231420.db2.gz UPHBCHJNPJZJKB-FQEVSTJZSA-N -1 3 366.823 5.540 50 10 FKCAHM [O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000005737407 570867907 /nfs/dbraw/zinc/86/79/07/570867907.db2.gz UPHBCHJNPJZJKB-HXUWFJFHSA-N -1 3 366.823 5.540 50 10 FKCAHM Cc1cccc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000005900688 204229383 /nfs/dbraw/zinc/22/93/83/204229383.db2.gz XUADLNPKLQUVPV-IBGZPJMESA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1cccc(N[C@H](c2ccsc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000005900693 570638425 /nfs/dbraw/zinc/63/84/25/570638425.db2.gz XUADLNPKLQUVPV-LJQANCHMSA-N -1 3 361.470 5.215 50 10 FKCAHM O=c1c2ccccc2c2nc3ccccc3[n-]c-2c1-c1cccc([N+](=O)[O-])c1 ZINC000006475068 207142263 /nfs/dbraw/zinc/14/22/63/207142263.db2.gz DVPBHSCWKGCSMQ-UHFFFAOYSA-N -1 3 367.364 5.217 50 10 FKCAHM Cc1ccc(NC(=O)c2nc[n-]c2N=Nc2c(O)ccc3ccccc32)cc1 ZINC000006553722 210090642 /nfs/dbraw/zinc/09/06/42/210090642.db2.gz OCFNMYGQCOZKCU-OCEACIFDSA-N -1 3 371.400 5.245 50 10 FKCAHM Cc1ccc(NC(=O)c2[n-]cnc2N=Nc2c(O)ccc3ccccc32)cc1 ZINC000006553722 210090640 /nfs/dbraw/zinc/09/06/40/210090640.db2.gz OCFNMYGQCOZKCU-OCEACIFDSA-N -1 3 371.400 5.245 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)ccc2cccnc21 ZINC000006644661 204256906 /nfs/dbraw/zinc/25/69/06/204256906.db2.gz WTYWUFNEQQROLJ-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccn2)c2cccc(Cl)c2)ccc2cccnc21 ZINC000006644663 204257681 /nfs/dbraw/zinc/25/76/81/204257681.db2.gz WTYWUFNEQQROLJ-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000008036189 207216755 /nfs/dbraw/zinc/21/67/55/207216755.db2.gz LPRHGBLPNRTUEF-NRFANRHFSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000008036190 207217343 /nfs/dbraw/zinc/21/73/43/207217343.db2.gz LPRHGBLPNRTUEF-OAQYLSRUSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1cccc(Cl)c1 ZINC000009775242 204381827 /nfs/dbraw/zinc/38/18/27/204381827.db2.gz XNIYOLCUVUKZOL-NRFANRHFSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1ccc2ncccc2c1[C@H](Nc1ccccn1)c1cccc(Cl)c1 ZINC000009775243 204382596 /nfs/dbraw/zinc/38/25/96/204382596.db2.gz XNIYOLCUVUKZOL-OAQYLSRUSA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1ccsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21 ZINC000010215194 210344849 /nfs/dbraw/zinc/34/48/49/210344849.db2.gz KCTKPGRFHVGEQM-LAUBAEHRSA-N -1 3 362.454 5.004 50 10 FKCAHM Cc1ccsc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21 ZINC000010215199 210344782 /nfs/dbraw/zinc/34/47/82/210344782.db2.gz KCTKPGRFHVGEQM-UWJYYQICSA-N -1 3 362.454 5.004 50 10 FKCAHM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)cc1C ZINC000012410896 570743262 /nfs/dbraw/zinc/74/32/62/570743262.db2.gz CNIABWAGTNWSOW-ATVHPVEESA-N -1 3 371.843 5.286 50 10 FKCAHM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000012410899 570743274 /nfs/dbraw/zinc/74/32/74/570743274.db2.gz WBAOOSBAWDNAGE-HKWRFOASSA-N -1 3 373.431 5.478 50 10 FKCAHM CCCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c([O-])c1 ZINC000012604610 571190446 /nfs/dbraw/zinc/19/04/46/571190446.db2.gz YNTLOAXFMYWPBL-HSZRJFAPSA-N -1 3 371.440 5.170 50 10 FKCAHM CCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c([O-])c1 ZINC000012604612 220013264 /nfs/dbraw/zinc/01/32/64/220013264.db2.gz YNTLOAXFMYWPBL-QHCPKHFHSA-N -1 3 371.440 5.170 50 10 FKCAHM CCCCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1[O-] ZINC000013552624 570779054 /nfs/dbraw/zinc/77/90/54/570779054.db2.gz IBYFXTJEDKIZSJ-UHFFFAOYSA-N -1 3 357.885 5.588 50 10 FKCAHM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1c(Cl)cccc1Cl ZINC000013590189 211043122 /nfs/dbraw/zinc/04/31/22/211043122.db2.gz ZEBQBUQBNSWNBF-RAXLEYEMSA-N -1 3 362.285 5.513 50 10 FKCAHM CN(Cc1ccsc1)Cc1cc(-c2nc3ccccc3s2)ccc1[O-] ZINC000014882728 211104573 /nfs/dbraw/zinc/10/45/73/211104573.db2.gz HOXIPONFZMNJSI-UHFFFAOYSA-N -1 3 366.511 5.362 50 10 FKCAHM Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000015016212 220141392 /nfs/dbraw/zinc/14/13/92/220141392.db2.gz FVNCTTVCJYWXDI-UTKZUKDTSA-N -1 3 362.454 5.004 50 10 FKCAHM Cc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000015016213 220141741 /nfs/dbraw/zinc/14/17/41/220141741.db2.gz FVNCTTVCJYWXDI-DYESRHJHSA-N -1 3 362.454 5.004 50 10 FKCAHM Cc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])o1 ZINC000015017646 211115345 /nfs/dbraw/zinc/11/53/45/211115345.db2.gz NELVONJWIYBIQX-SFHVURJKSA-N -1 3 365.820 5.092 50 10 FKCAHM Cc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])o1 ZINC000015017647 570829872 /nfs/dbraw/zinc/82/98/72/570829872.db2.gz NELVONJWIYBIQX-GOSISDBHSA-N -1 3 365.820 5.092 50 10 FKCAHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000015134049 570834239 /nfs/dbraw/zinc/83/42/39/570834239.db2.gz KFKQEJZUCACWEL-STZFKDTASA-N -1 3 355.441 5.175 50 10 FKCAHM O=c1c2ccccc2c2nc3ccccc3[n-]c-2c1-c1ccc([N+](=O)[O-])cc1 ZINC000018137224 570875755 /nfs/dbraw/zinc/87/57/55/570875755.db2.gz LAUIWXPZUXGMAL-UHFFFAOYSA-N -1 3 367.364 5.217 50 10 FKCAHM Cc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1 ZINC000018173640 570876135 /nfs/dbraw/zinc/87/61/35/570876135.db2.gz KSUCEXYJUGNPFV-OAQYLSRUSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1 ZINC000018173642 220226808 /nfs/dbraw/zinc/22/68/08/220226808.db2.gz KSUCEXYJUGNPFV-NRFANRHFSA-N -1 3 355.441 5.154 50 10 FKCAHM Cc1ccsc1[C@@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1[O-] ZINC000018173644 570876114 /nfs/dbraw/zinc/87/61/14/570876114.db2.gz HMRFJTICBMUXDH-IBGZPJMESA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccsc1[C@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1[O-] ZINC000018173646 220226825 /nfs/dbraw/zinc/22/68/25/220226825.db2.gz HMRFJTICBMUXDH-LJQANCHMSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1cccc(N[C@@H](c2ccccc2F)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000018190076 570876188 /nfs/dbraw/zinc/87/61/88/570876188.db2.gz RDBINMITTVTLBK-QFIPXVFZSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1cccc(N[C@H](c2ccccc2F)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000018190078 211193431 /nfs/dbraw/zinc/19/34/31/211193431.db2.gz RDBINMITTVTLBK-JOCHJYFZSA-N -1 3 373.431 5.293 50 10 FKCAHM Cc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])s1 ZINC000019238209 220243427 /nfs/dbraw/zinc/24/34/27/220243427.db2.gz WPGYFHBGCWURBF-HXUWFJFHSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])s1 ZINC000019238210 220243508 /nfs/dbraw/zinc/24/35/08/220243508.db2.gz WPGYFHBGCWURBF-FQEVSTJZSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])s1 ZINC000019843124 220302343 /nfs/dbraw/zinc/30/23/43/220302343.db2.gz DVZMOTCEAHQLCS-HXUWFJFHSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])s1 ZINC000019843126 570904880 /nfs/dbraw/zinc/90/48/80/570904880.db2.gz DVZMOTCEAHQLCS-FQEVSTJZSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccsc1[C@H](Nc1ccccn1)c1ccc2ccc(C)nc2c1[O-] ZINC000019843128 570904711 /nfs/dbraw/zinc/90/47/11/570904711.db2.gz WNWPRKWIJGVALY-LJQANCHMSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccsc1[C@@H](Nc1ccccn1)c1ccc2ccc(C)nc2c1[O-] ZINC000019843130 570904935 /nfs/dbraw/zinc/90/49/35/570904935.db2.gz WNWPRKWIJGVALY-IBGZPJMESA-N -1 3 361.470 5.215 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccsc2)cc(Cl)c2cccnc12 ZINC000019849916 211259775 /nfs/dbraw/zinc/25/97/75/211259775.db2.gz AQIHMRHNAMZDSP-KRWDZBQOSA-N -1 3 367.861 5.252 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccsc2)cc(Cl)c2cccnc12 ZINC000019849919 570904894 /nfs/dbraw/zinc/90/48/94/570904894.db2.gz AQIHMRHNAMZDSP-QGZVFWFLSA-N -1 3 367.861 5.252 50 10 FKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000019927803 571327772 /nfs/dbraw/zinc/32/77/72/571327772.db2.gz SCQGDCCLCYBHMY-JXFKEZNVSA-N -1 3 368.889 5.330 50 10 FKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000019927806 571327799 /nfs/dbraw/zinc/32/77/99/571327799.db2.gz SCQGDCCLCYBHMY-UZLBHIALSA-N -1 3 368.889 5.330 50 10 FKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000019927809 211261602 /nfs/dbraw/zinc/26/16/02/211261602.db2.gz SCQGDCCLCYBHMY-OXJNMPFZSA-N -1 3 368.889 5.330 50 10 FKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000019927812 571327801 /nfs/dbraw/zinc/32/78/01/571327801.db2.gz SCQGDCCLCYBHMY-OXQOHEQNSA-N -1 3 368.889 5.330 50 10 FKCAHM Cc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000020764728 571331701 /nfs/dbraw/zinc/33/17/01/571331701.db2.gz ZVUIECZXTCWZMJ-FYYLOGMGSA-N -1 3 360.432 5.062 50 10 FKCAHM Cc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000020764732 571331755 /nfs/dbraw/zinc/33/17/55/571331755.db2.gz ZVUIECZXTCWZMJ-GGAORHGYSA-N -1 3 360.432 5.062 50 10 FKCAHM Cc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000020764736 220340412 /nfs/dbraw/zinc/34/04/12/220340412.db2.gz ZVUIECZXTCWZMJ-JTHBVZDNSA-N -1 3 360.432 5.062 50 10 FKCAHM Cc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000020764740 571331746 /nfs/dbraw/zinc/33/17/46/571331746.db2.gz ZVUIECZXTCWZMJ-GMAHTHKFSA-N -1 3 360.432 5.062 50 10 FKCAHM [O-]c1ccc(-c2nc3ccccc3s2)cc1CN1CCc2ccccc2C1 ZINC000020999713 211302613 /nfs/dbraw/zinc/30/26/13/211302613.db2.gz QUMPXWVTPKKPBT-UHFFFAOYSA-N -1 3 372.493 5.227 50 10 FKCAHM [O-]c1c([C@H](c2ccc(F)cc2)N2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540387 571334994 /nfs/dbraw/zinc/33/49/94/571334994.db2.gz JCVPXJKIBDXWSC-FQEVSTJZSA-N -1 3 370.855 5.308 50 10 FKCAHM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540390 571335021 /nfs/dbraw/zinc/33/50/21/571335021.db2.gz JCVPXJKIBDXWSC-HXUWFJFHSA-N -1 3 370.855 5.308 50 10 FKCAHM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCCC2)cc(Cl)c2cccnc12 ZINC000023224583 571235552 /nfs/dbraw/zinc/23/55/52/571235552.db2.gz IPBPIXNLSBVMCK-IBGZPJMESA-N -1 3 373.283 5.432 50 10 FKCAHM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCCC2)cc(Cl)c2cccnc12 ZINC000023224584 571235686 /nfs/dbraw/zinc/23/56/86/571235686.db2.gz IPBPIXNLSBVMCK-LJQANCHMSA-N -1 3 373.283 5.432 50 10 FKCAHM [O-]c1ccc(Br)cc1CN1CCCCC[C@@H]1c1cccs1 ZINC000033087160 571062032 /nfs/dbraw/zinc/06/20/32/571062032.db2.gz MDELHUOQUQHEAI-OAHLLOKOSA-N -1 3 366.324 5.334 50 10 FKCAHM [O-]c1ccc(Br)cc1CN1CCCCC[C@H]1c1cccs1 ZINC000033087161 571062121 /nfs/dbraw/zinc/06/21/21/571062121.db2.gz MDELHUOQUQHEAI-HNNXBMFYSA-N -1 3 366.324 5.334 50 10 FKCAHM Cc1ccc([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])cc1 ZINC000036347272 571248835 /nfs/dbraw/zinc/24/88/35/571248835.db2.gz GQSSTKCVDYPSMB-JOCHJYFZSA-N -1 3 366.892 5.151 50 10 FKCAHM Cc1ccc([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])cc1 ZINC000036347273 205009691 /nfs/dbraw/zinc/00/96/91/205009691.db2.gz GQSSTKCVDYPSMB-QFIPXVFZSA-N -1 3 366.892 5.151 50 10 FKCAHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000040024176 571068680 /nfs/dbraw/zinc/06/86/80/571068680.db2.gz WFVCRHWSIHCLHP-UHFFFAOYSA-N -1 3 354.837 5.014 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccccc3C)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000058138826 571348521 /nfs/dbraw/zinc/34/85/21/571348521.db2.gz IMCZUELIHQEVJP-ZCYQVOJMSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3C)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000058138834 205250205 /nfs/dbraw/zinc/25/02/05/205250205.db2.gz IMCZUELIHQEVJP-UKILVPOCSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@H](c3ccccc3C)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000058138846 221099543 /nfs/dbraw/zinc/09/95/43/221099543.db2.gz IMCZUELIHQEVJP-NOZRDPDXSA-N -1 3 370.496 5.486 50 10 FKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3C)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000058138855 571348533 /nfs/dbraw/zinc/34/85/33/571348533.db2.gz IMCZUELIHQEVJP-ILBGXUMGSA-N -1 3 370.496 5.486 50 10 FKCAHM O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000059002042 221124492 /nfs/dbraw/zinc/12/44/92/221124492.db2.gz GLLQIULAOOVAFY-QHCPKHFHSA-N -1 3 368.436 5.457 50 10 FKCAHM O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000059002048 571134074 /nfs/dbraw/zinc/13/40/74/571134074.db2.gz GLLQIULAOOVAFY-HSZRJFAPSA-N -1 3 368.436 5.457 50 10 FKCAHM CN(C)Cc1c([O-])c(Cl)c2cc(Cc3ccccc3)oc2c1Cl ZINC000075252688 571158314 /nfs/dbraw/zinc/15/83/14/571158314.db2.gz MVZLDGFAJKEQCI-UHFFFAOYSA-N -1 3 350.245 5.098 50 10 FKCAHM Cc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])s1 ZINC000075280287 571159650 /nfs/dbraw/zinc/15/96/50/571159650.db2.gz CFQOQWKLBZBYLG-FQEVSTJZSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])s1 ZINC000075280288 571159672 /nfs/dbraw/zinc/15/96/72/571159672.db2.gz CFQOQWKLBZBYLG-HXUWFJFHSA-N -1 3 361.470 5.215 50 10 FKCAHM Cc1oc(C)c2c1c(=O)ccc(N=Nc1ccc(Br)cc1)c2[O-] ZINC000095482109 571331054 /nfs/dbraw/zinc/33/10/54/571331054.db2.gz HFJDSGOUCMUWCI-FMQUCBEESA-N -1 3 373.206 5.293 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccccc2Cl)c2cccnc2)ccc2cccnc21 ZINC000095912902 209087091 /nfs/dbraw/zinc/08/70/91/209087091.db2.gz DVBWOZORMNVQDE-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccccc2Cl)c2cccnc2)ccc2cccnc21 ZINC000095912903 209086409 /nfs/dbraw/zinc/08/64/09/209086409.db2.gz DVBWOZORMNVQDE-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@H](Nc2ccc(Cl)cc2)c2cccnc2)ccc2cccnc21 ZINC000095912904 571332200 /nfs/dbraw/zinc/33/22/00/571332200.db2.gz OABACLKFCIPDOE-LJQANCHMSA-N -1 3 361.832 5.190 50 10 FKCAHM [O-]c1c([C@@H](Nc2ccc(Cl)cc2)c2cccnc2)ccc2cccnc21 ZINC000095912905 221972149 /nfs/dbraw/zinc/97/21/49/221972149.db2.gz OABACLKFCIPDOE-IBGZPJMESA-N -1 3 361.832 5.190 50 10 FKCAHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000100040916 209207236 /nfs/dbraw/zinc/20/72/36/209207236.db2.gz KFKQEJZUCACWEL-KGENOOAVSA-N -1 3 355.441 5.175 50 10 FKCAHM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1c(Cl)cccc1Cl ZINC000100371268 222243123 /nfs/dbraw/zinc/24/31/23/222243123.db2.gz ZEBQBUQBNSWNBF-JLHYYAGUSA-N -1 3 362.285 5.513 50 10 FKCAHM CCCCc1ccc(N=Nc2[n-]n(-c3cccc(Cl)c3)c(=O)c2C)cc1 ZINC000100430204 209214016 /nfs/dbraw/zinc/21/40/16/209214016.db2.gz FDEBWDMEPPVBIL-FAFWDCIRSA-N -1 3 368.868 5.763 50 10 FKCAHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc2ccccc2c1 ZINC000101112955 570522952 /nfs/dbraw/zinc/52/29/52/570522952.db2.gz RFLYTDGGUSYCSK-DEDYPNTBSA-N -1 3 361.832 5.212 50 10 FKCAHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1 ZINC000101141840 570817085 /nfs/dbraw/zinc/81/70/85/570817085.db2.gz KIPBNONLWCCQOV-WQRHYEAKSA-N -1 3 373.378 5.041 50 10 FKCAHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000101149068 570817233 /nfs/dbraw/zinc/81/72/33/570817233.db2.gz CIEIQAVQIJYEQD-CPNJWEJPSA-N -1 3 361.832 5.212 50 10 FKCAHM Cc1ccsc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21 ZINC000102907256 222313872 /nfs/dbraw/zinc/31/38/72/222313872.db2.gz KCTKPGRFHVGEQM-DYESRHJHSA-N -1 3 362.454 5.004 50 10 FKCAHM Cc1ccsc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21 ZINC000227485710 571344724 /nfs/dbraw/zinc/34/47/24/571344724.db2.gz KCTKPGRFHVGEQM-UTKZUKDTSA-N -1 3 362.454 5.004 50 10 FKCAHM