smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Nc2cccc3c2[C@]1(CCCC[N@@H+]1CC=C(c2ccccc2)CC1)CCC3 ZINC000001902852 209342573 /nfs/dbraw/zinc/34/25/73/209342573.db2.gz JBQOYPLKTTXLSQ-SANMLTNESA-N 1 1 386.539 5.172 1 0 in-vitro GKAFMO c1ccc(C[C@H](c2ccccc2)[NH+]2CCN(C3CCCCCCC3)CC2)cc1 ZINC000169317943 212113191 /nfs/dbraw/zinc/11/31/91/212113191.db2.gz XIJIYKRUBLEJNI-AREMUKBSSA-N 1 1 376.588 5.701 1 0 GKAFMO c1ccc(C[C@@H](c2ccccc2)[NH+]2CCN(C3CCCCCCC3)CC2)cc1 ZINC000169317941 212113126 /nfs/dbraw/zinc/11/31/26/212113126.db2.gz XIJIYKRUBLEJNI-SANMLTNESA-N 1 1 376.588 5.701 1 0 GKAFMO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004857205 204083627 /nfs/dbraw/zinc/08/36/27/204083627.db2.gz IHZFFUAIKZYKBM-NOTZXAQLSA-N 1 1 393.600 5.121 3 0 GKAFMO CCOc1ccc(C[C@@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)cc1 ZINC000039233856 205040321 /nfs/dbraw/zinc/04/03/21/205040321.db2.gz NBTRECRPSBFNAA-SANMLTNESA-N 1 1 392.587 5.319 1 0 GKAFMO CCCCCCSc1ccc(-c2[nH+]c3ccccn3c2NCCCC)cc1 ZINC000036382296 205015535 /nfs/dbraw/zinc/01/55/35/205015535.db2.gz GPANMBCEHNAPHM-UHFFFAOYSA-N 1 1 381.589 6.886 3 0 GKAFMO COc1ccc(-c2[nH+]c3ccc(-c4ccccc4)cn3c2NC2CCCC2)cc1O ZINC000043119357 205081151 /nfs/dbraw/zinc/08/11/51/205081151.db2.gz NAIJZHSMCIKHBG-UHFFFAOYSA-N 1 1 399.494 5.737 1 0 GKAFMO C[N@H+]1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043121812 205082658 /nfs/dbraw/zinc/08/26/58/205082658.db2.gz MIPXTJDEJCSPKE-OAQYLSRUSA-N 1 1 388.446 5.323 1 0 GKAFMO C[N@@H+]1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043121812 205082663 /nfs/dbraw/zinc/08/26/63/205082663.db2.gz MIPXTJDEJCSPKE-OAQYLSRUSA-N 1 1 388.446 5.323 1 0 GKAFMO C[N@H+]1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043121812 205082665 /nfs/dbraw/zinc/08/26/65/205082665.db2.gz MIPXTJDEJCSPKE-OAQYLSRUSA-N 1 1 388.446 5.323 1 0 GKAFMO Fc1ccc2nc(-c3cccc(-c4ccc(C[NH+]5CCCCC5)cc4)c3)[nH]c2c1 ZINC000045194940 205092346 /nfs/dbraw/zinc/09/23/46/205092346.db2.gz FVYXEEYWMUEUDC-UHFFFAOYSA-N 1 1 385.486 6.022 1 0 GKAFMO CSc1ccc(C[N@H+]2CC[C@@](C)(Oc3cnc(Cl)c4ccccc34)C2)cc1 ZINC000061907972 205184077 /nfs/dbraw/zinc/18/40/77/205184077.db2.gz TXUHDBFNUOEKLU-JOCHJYFZSA-N 1 1 398.959 5.654 3 0 GKAFMO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000064245728 205189480 /nfs/dbraw/zinc/18/94/80/205189480.db2.gz OZULDLRLQNGRLF-WOJBJXKFSA-N 1 1 392.326 5.305 1 0 GKAFMO Cc1cc2nc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)[nH]c2cc1C ZINC000072106444 205303558 /nfs/dbraw/zinc/30/35/58/205303558.db2.gz ZONWPEAFLDQJPL-KKXYHZGYSA-N 1 1 379.935 5.567 1 0 GKAFMO CC1=Nc2ccc(Cl)cc2[C@@H](c2cccc(F)c2)N1CC[NH+]1CCCCC1 ZINC000072125770 205307197 /nfs/dbraw/zinc/30/71/97/205307197.db2.gz LIPVOQPZUZZUSD-JOCHJYFZSA-N 1 1 385.914 5.420 1 0 GKAFMO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000028540155 206262752 /nfs/dbraw/zinc/26/27/52/206262752.db2.gz JVKYZPBMZPJNAJ-HOFADDDFSA-N 1 1 397.647 5.655 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@@H](c1ccccc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558573 211276592 /nfs/dbraw/zinc/27/65/92/211276592.db2.gz JLCLWWKDILNTDR-QFIPXVFZSA-N 1 1 378.475 5.982 1 0 GKAFMO CCCCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000071295038 211044423 /nfs/dbraw/zinc/04/44/23/211044423.db2.gz BSZBKXQAALYULS-RUZDIDTESA-N 1 1 376.544 5.877 1 0 GKAFMO CCCCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000071295038 211044427 /nfs/dbraw/zinc/04/44/27/211044427.db2.gz BSZBKXQAALYULS-RUZDIDTESA-N 1 1 376.544 5.877 1 0 GKAFMO CCCCC[N@@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000071295037 211043744 /nfs/dbraw/zinc/04/37/44/211043744.db2.gz BSZBKXQAALYULS-VWLOTQADSA-N 1 1 376.544 5.877 1 0 GKAFMO CCCCC[N@H+]1CCc2c3cc(CC)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000071295037 211043747 /nfs/dbraw/zinc/04/37/47/211043747.db2.gz BSZBKXQAALYULS-VWLOTQADSA-N 1 1 376.544 5.877 1 0 GKAFMO N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000022941543 207267035 /nfs/dbraw/zinc/26/70/35/207267035.db2.gz GAEAFMJGLPCGOT-VXKWHMMOSA-N 1 1 396.456 5.569 1 0 GKAFMO N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000022941543 207267038 /nfs/dbraw/zinc/26/70/38/207267038.db2.gz GAEAFMJGLPCGOT-VXKWHMMOSA-N 1 1 396.456 5.569 1 0 GKAFMO Clc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2Cc2[nH]c4ccccc4c23)cc1Cl ZINC000027102513 207322052 /nfs/dbraw/zinc/32/20/52/207322052.db2.gz NLHVOHXLTQXDSJ-RNODOKPDSA-N 1 1 387.310 5.615 1 0 GKAFMO COc1ccc(C(=O)c2c(C)n(CC[C@@H]3CCCC[N@H+]3C)c3ccccc32)cc1 ZINC000026274211 207312367 /nfs/dbraw/zinc/31/23/67/207312367.db2.gz XQYFYLXGHBKPSY-FQEVSTJZSA-N 1 1 390.527 5.064 1 0 GKAFMO O=C(Nc1ccccc1)Nc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000029226587 207357233 /nfs/dbraw/zinc/35/72/33/207357233.db2.gz IEUDFLVLULWXJM-BJKOFHAPSA-N 1 1 383.495 5.613 1 0 GKAFMO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000073164970 208032539 /nfs/dbraw/zinc/03/25/39/208032539.db2.gz AJMLLQGJLSFTSX-WRWLIDTKSA-N 1 1 398.472 5.985 1 0 GKAFMO COc1ccc2occ(C[N@@H+]3[C@@H]4CC[C@H]3C[C@](O)(c3ccc(Cl)cc3)C4)c2c1 ZINC000101185423 208388134 /nfs/dbraw/zinc/38/81/34/208388134.db2.gz WKTBGKZXPNQGKA-MOJGAOKDSA-N 1 1 397.902 5.109 1 0 GKAFMO O[C@@]1(c2ccc3ccccc3c2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccccc12 ZINC000101185077 208388318 /nfs/dbraw/zinc/38/83/18/208388318.db2.gz YJKBKDOYRHHENB-QXSURTEESA-N 1 1 382.507 5.336 1 0 GKAFMO CC(=O)Oc1ccccc1-c1[nH+]c2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000004754580 220761249 /nfs/dbraw/zinc/76/12/49/220761249.db2.gz XNRNRYMQWURENO-UHFFFAOYSA-N 1 1 393.531 5.862 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@@H]1C[N@@H+](Cc2ccc(-c4ccccc4)cc2)CCN31 ZINC000118366632 136192270 /nfs/dbraw/zinc/19/22/70/136192270.db2.gz LBALZQQRFZMPJO-HSZRJFAPSA-N 1 1 379.507 5.082 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CCN31 ZINC000169351336 136197345 /nfs/dbraw/zinc/19/73/45/136197345.db2.gz VJYRFSZIRUISDG-QFIPXVFZSA-N 1 1 379.507 5.082 1 0 GKAFMO COc1ccc(-c2[nH+]c3ccc(C(F)(F)F)cn3c2NC2CCCC2)cc1O ZINC000043063750 221946642 /nfs/dbraw/zinc/94/66/42/221946642.db2.gz BAEACWOHOWBLHX-UHFFFAOYSA-N 1 1 391.393 5.089 1 0 GKAFMO Cc1cccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CC[N@@H+]2Cc2ccc3c(c2)OCO3)c1 ZINC000061943043 222063955 /nfs/dbraw/zinc/06/39/55/222063955.db2.gz ZNSPQQGMNDMVKM-XUZZJYLKSA-N 1 1 383.491 5.825 1 0 GKAFMO C[C@@H]1CCC[N@H+]1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 ZINC000063539551 222067762 /nfs/dbraw/zinc/06/77/62/222067762.db2.gz MHHTXOIOMYDUOQ-OAHLLOKOSA-N 1 1 388.433 5.760 1 0 GKAFMO CC(C)[C@@H](C)COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2[N@@H+](C)C1 ZINC000064528168 222072761 /nfs/dbraw/zinc/07/27/61/222072761.db2.gz GYZNHBCNOUUWNQ-ICGULJKJSA-N 1 1 396.575 5.018 1 0 GKAFMO CCCCOC(=O)Nc1cc2[nH]c(C3CCCCC3)[nH+]c2cc1N(CC)CC ZINC000066100125 222137487 /nfs/dbraw/zinc/13/74/87/222137487.db2.gz ZURYXKJPYBCOQQ-UHFFFAOYSA-N 1 1 386.540 5.805 1 0 GKAFMO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@H+]1CCCF ZINC000071329487 222181843 /nfs/dbraw/zinc/18/18/43/222181843.db2.gz LOHZCUIHMWMCRJ-DKZVUGQWSA-N 1 1 387.568 5.146 1 0 GKAFMO C[C@H](Nc1[nH+]cnc2[nH]c(-c3ccc(O)cc3)cc21)c1ccc(C(F)(F)F)cc1 ZINC000073162806 222267225 /nfs/dbraw/zinc/26/72/25/222267225.db2.gz SLTFOBNOJWROLI-LBPRGKRZSA-N 1 1 398.388 5.522 1 0 GKAFMO CCC(C)(C)[C@@]12CC[N@H+](C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084688502 222319026 /nfs/dbraw/zinc/31/90/26/222319026.db2.gz KRYUIRYOZARVOP-ZJSXRUAMSA-N 1 1 393.531 5.083 1 0 GKAFMO CCC(C)(C)[C@@]12CC[N@@H+](C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084688502 222319029 /nfs/dbraw/zinc/31/90/29/222319029.db2.gz KRYUIRYOZARVOP-ZJSXRUAMSA-N 1 1 393.531 5.083 1 0 GKAFMO C[N@H+]1CCCC[C@H]1CCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905661 536357190 /nfs/dbraw/zinc/35/71/90/536357190.db2.gz CKTUADCTOAJCNC-SFHVURJKSA-N 1 1 375.541 5.712 1 0 GKAFMO O[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl ZINC000013766717 210090010 /nfs/dbraw/zinc/09/00/10/210090010.db2.gz YZSQCQQXQNXTIO-KVMCETHSSA-N 1 1 376.327 5.437 1 0 GKAFMO COc1ccc(-c2nc(C3=CC[N@@H+](C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735883 210086782 /nfs/dbraw/zinc/08/67/82/210086782.db2.gz YMQSMYMNAQEELV-UHFFFAOYSA-N 1 1 392.524 5.213 1 0 GKAFMO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000013475902 210063554 /nfs/dbraw/zinc/06/35/54/210063554.db2.gz JRZWFAZOZKLOCQ-OREJSRFESA-N 1 1 375.434 5.135 1 0 GKAFMO CCCN(CCC)c1cc(C)[nH+]c2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000001546322 212248764 /nfs/dbraw/zinc/24/87/64/212248764.db2.gz SUYDJIHTAHBJRR-UHFFFAOYSA-N 1 1 387.354 7.143 1 0 GKAFMO COc1ccc(Nc2ccc3c(c2)[C@@]2(C)CC[N@@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000027987884 204864559 /nfs/dbraw/zinc/86/45/59/204864559.db2.gz DJFFPOVRKTXBHV-HDBFHEOPSA-N 1 1 376.544 5.373 1 0 GKAFMO Fc1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCCCC5)c4)cc3)[nH]c2c1 ZINC000045190376 205092878 /nfs/dbraw/zinc/09/28/78/205092878.db2.gz RUXNPVJAGJATII-UHFFFAOYSA-N 1 1 385.486 6.022 1 0 GKAFMO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000001912172 206394735 /nfs/dbraw/zinc/39/47/35/206394735.db2.gz AJMLLQGJLSFTSX-SYNHAJSKSA-N 1 1 398.472 5.985 1 0 GKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H]([NH+]3[C@H](C)COC[C@H]3C)CC[C@]12C ZINC000095589081 211281267 /nfs/dbraw/zinc/28/12/67/211281267.db2.gz VCIZNRHEHKYVLY-JVSPOQEVSA-N 1 1 391.640 5.712 1 0 GKAFMO C[C@@H]1CCC[N@H+]1CCc1ccc2nc(-c3cnc(-c4ccccc4)s3)ccc2c1 ZINC000035968200 210702109 /nfs/dbraw/zinc/70/21/09/210702109.db2.gz CRBTZFVQVOXBBO-GOSISDBHSA-N 1 1 399.563 6.052 1 0 GKAFMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)Nc2cccc3ccccc32)c2ccccc21 ZINC000017216055 207087437 /nfs/dbraw/zinc/08/74/37/207087437.db2.gz OLJFLNSWHPRAPF-HXUWFJFHSA-N 1 1 397.522 5.531 1 0 GKAFMO C[N@H+]1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938087 207265700 /nfs/dbraw/zinc/26/57/00/207265700.db2.gz RKDGTQHEOBQEAS-PZJWPPBQSA-N 1 1 389.370 5.596 1 0 GKAFMO CN1CC[N@@H+]([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938087 207265704 /nfs/dbraw/zinc/26/57/04/207265704.db2.gz RKDGTQHEOBQEAS-PZJWPPBQSA-N 1 1 389.370 5.596 1 0 GKAFMO CN1CC[N@H+]([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938087 207265708 /nfs/dbraw/zinc/26/57/08/207265708.db2.gz RKDGTQHEOBQEAS-PZJWPPBQSA-N 1 1 389.370 5.596 1 0 GKAFMO Fc1ccc([C@H]2C[C@H](N3CC[N@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937948 207266246 /nfs/dbraw/zinc/26/62/46/207266246.db2.gz GKDSUAQEAHBUGZ-LSWJPFSZSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@H]2C[C@H]([N@@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937948 207266247 /nfs/dbraw/zinc/26/62/47/207266247.db2.gz GKDSUAQEAHBUGZ-LSWJPFSZSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@H]2C[C@H]([N@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937948 207266249 /nfs/dbraw/zinc/26/62/49/207266249.db2.gz GKDSUAQEAHBUGZ-LSWJPFSZSA-N 1 1 384.926 5.226 1 0 GKAFMO COc1ccc(C([NH2+]Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000084741090 208098811 /nfs/dbraw/zinc/09/88/11/208098811.db2.gz HEUPAVWJDGXSJU-UHFFFAOYSA-N 1 1 379.503 5.777 1 0 GKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H]([NH+]3[C@@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589080 208236086 /nfs/dbraw/zinc/23/60/86/208236086.db2.gz VCIZNRHEHKYVLY-MEYLZYJUSA-N 1 1 391.640 5.712 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc(Br)c1)C2 ZINC000100834304 208382672 /nfs/dbraw/zinc/38/26/72/208382672.db2.gz MQTSMELUXUVGJV-IVAOSVALSA-N 1 1 386.333 5.180 1 0 GKAFMO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000013493374 221270277 /nfs/dbraw/zinc/27/02/77/221270277.db2.gz VFWXVDZTSPGURW-UHFFFAOYSA-N 1 1 398.531 5.273 1 0 GKAFMO Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[N@H+](Cc1ccccc1)C2 ZINC000013493374 221270281 /nfs/dbraw/zinc/27/02/81/221270281.db2.gz VFWXVDZTSPGURW-UHFFFAOYSA-N 1 1 398.531 5.273 1 0 GKAFMO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3OC(c2ccccc2)c2ccccc2)cc1 ZINC000013494202 221270678 /nfs/dbraw/zinc/27/06/78/221270678.db2.gz KUUPJFHVCIKPKT-YHQISMHQSA-N 1 1 383.535 5.703 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nnc(-c2ccccc2)s1 ZINC000013756869 221287079 /nfs/dbraw/zinc/28/70/79/221287079.db2.gz JEDCEBVTJCGWRB-NMLBUPMWSA-N 1 1 395.959 5.592 1 0 GKAFMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013913053 221293075 /nfs/dbraw/zinc/29/30/75/221293075.db2.gz SELHCEQNHNORQG-QHCPKHFHSA-N 1 1 390.914 5.011 1 0 GKAFMO CCCCNc1c(-c2ccc(OC)c(S[C@H](C)CC)c2)[nH+]c2ccc(C)cn21 ZINC000061959775 222063974 /nfs/dbraw/zinc/06/39/74/222063974.db2.gz PACFEIXQKYBSFQ-QGZVFWFLSA-N 1 1 397.588 6.421 3 0 GKAFMO CC(C)[C@H](C)COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2[N@@H+](C)C1 ZINC000064528169 222072553 /nfs/dbraw/zinc/07/25/53/222072553.db2.gz GYZNHBCNOUUWNQ-HGPLWSSJSA-N 1 1 396.575 5.018 1 0 GKAFMO CSc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000066147985 222139629 /nfs/dbraw/zinc/13/96/29/222139629.db2.gz WWBBFDGOQJQXFK-UHFFFAOYSA-N 1 1 388.536 5.219 1 0 GKAFMO CCn1c2cc[nH+]cc2c2cc(C(=O)c3ccc(Br)cc3)ccc21 ZINC000071316350 222179825 /nfs/dbraw/zinc/17/98/25/222179825.db2.gz QLXRWSWMNGJYTK-UHFFFAOYSA-N 1 1 379.257 5.203 1 0 GKAFMO CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000072123219 222208074 /nfs/dbraw/zinc/20/80/74/222208074.db2.gz QNVQTTHRZMNVDK-JOCHJYFZSA-N 1 1 381.306 6.649 1 0 GKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3 ZINC000072176229 222217006 /nfs/dbraw/zinc/21/70/06/222217006.db2.gz QBLFVLVMLBAUAE-IBGZPJMESA-N 1 1 378.516 5.106 1 0 GKAFMO C[C@@H]1CCC[N@H+]1CCc1ccc(-c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000073222763 222268416 /nfs/dbraw/zinc/26/84/16/222268416.db2.gz DOLUVTOFQXUGGU-LJQANCHMSA-N 1 1 397.584 5.097 1 0 GKAFMO Cc1ccc([C@H]2c3ccc4ccccc4c3Oc3[nH+]c4c(c(N)c32)CCCC4)cc1 ZINC000095562612 222354958 /nfs/dbraw/zinc/35/49/58/222354958.db2.gz NOYFWGHMIIUBCE-QHCPKHFHSA-N 1 1 392.502 6.290 1 0 GKAFMO CCC[N@@H+](CCCc1ccccc1OC)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741744 581094359 /nfs/dbraw/zinc/09/43/59/581094359.db2.gz AAYJEWYLPYARLE-NRFANRHFSA-N 1 1 376.544 5.379 1 0 GKAFMO CCC[N@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@H]1C ZINC000013918244 210096519 /nfs/dbraw/zinc/09/65/19/210096519.db2.gz KSSRXIYWMVGMKJ-QGZVFWFLSA-N 1 1 375.491 5.770 1 0 GKAFMO C[C@H]1C[N@@H+](CCc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC000013833018 210093519 /nfs/dbraw/zinc/09/35/19/210093519.db2.gz UOXOBPULBGPOLT-YCRPNKLZSA-N 1 1 378.343 5.541 1 0 GKAFMO O[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1 ZINC000013766721 210090554 /nfs/dbraw/zinc/09/05/54/210090554.db2.gz CDDODAHZNGOHJP-GKTUAVMOSA-N 1 1 376.327 5.437 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nc(-c2ccccc2)no1 ZINC000013743088 210088069 /nfs/dbraw/zinc/08/80/69/210088069.db2.gz MLEBXCGNNIYOSJ-NMLBUPMWSA-N 1 1 379.891 5.124 1 0 GKAFMO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3CC[C@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@H+]2C1 ZINC000095918640 291150094 /nfs/dbraw/zinc/15/00/94/291150094.db2.gz BMMRSXNAPFQLLU-QHSHMIJLSA-N 1 1 397.647 5.513 1 0 biogenic,in-vitro GKAFMO CCC(=O)Oc1ccccc1-c1[nH+]c2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000000960134 212199536 /nfs/dbraw/zinc/19/95/36/212199536.db2.gz PNFDJLGSZSORRS-UHFFFAOYSA-N 1 1 393.531 5.943 1 0 GKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccc(Cl)cc4)no2)[N@H+]3C)cc1 ZINC000036271698 205009811 /nfs/dbraw/zinc/00/98/11/205009811.db2.gz MUVQRHMVRFZUGP-CETSDDCJSA-N 1 1 392.930 6.037 1 0 GKAFMO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCC[C@@H]5C[NH3+])c4)cc3)[nH]c21 ZINC000045188632 205092595 /nfs/dbraw/zinc/09/25/95/205092595.db2.gz PPOAXIKBTDFKPJ-HSZRJFAPSA-N 1 1 396.538 5.128 1 0 GKAFMO C[N@H+]1CCCc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)ccc2C1 ZINC000045191312 205093076 /nfs/dbraw/zinc/09/30/76/205093076.db2.gz VWQMPXSKARFJJU-UHFFFAOYSA-N 1 1 396.943 5.699 1 0 GKAFMO c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](CC2CC2)CC4)cc1 ZINC000045283964 205093779 /nfs/dbraw/zinc/09/37/79/205093779.db2.gz CDLAPAAACNSKLQ-WYMJOSIYSA-N 1 1 386.583 5.767 1 0 in-vivo GKAFMO FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000040953925 205075733 /nfs/dbraw/zinc/07/57/33/205075733.db2.gz VVMFRJIOTJIKSV-JOCHJYFZSA-N 1 1 395.468 6.752 1 0 GKAFMO COc1ccccc1CN1C(C)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000072124866 205306891 /nfs/dbraw/zinc/30/68/91/205306891.db2.gz NHFHNBYBRVBGPO-QHCPKHFHSA-N 1 1 376.887 6.004 1 0 GKAFMO Cc1ccc([C@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)cc1C ZINC000072122658 205307499 /nfs/dbraw/zinc/30/74/99/205307499.db2.gz UADSWZIMTBPHKD-DEOSSOPVSA-N 1 1 395.978 5.898 1 0 GKAFMO Cc1[nH+]c(-c2ccccc2C)n2c1c(C)nc1c(OCC3CC3)cc(F)cc12 ZINC000073169345 205355484 /nfs/dbraw/zinc/35/54/84/205355484.db2.gz AWXHWRQAQZWKQX-UHFFFAOYSA-N 1 1 375.447 5.403 1 0 GKAFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000096930045 211352918 /nfs/dbraw/zinc/35/29/18/211352918.db2.gz BVHFUZSLTYUJLY-OAQYLSRUSA-N 1 1 381.519 6.612 1 0 GKAFMO O=C1CC[N@H+](Cc2ccccc2)C[C@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000072116457 211069385 /nfs/dbraw/zinc/06/93/85/211069385.db2.gz DCDQHOXJSLPHIT-RUZDIDTESA-N 1 1 379.503 5.394 1 0 GKAFMO O=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000072116457 211069387 /nfs/dbraw/zinc/06/93/87/211069387.db2.gz DCDQHOXJSLPHIT-RUZDIDTESA-N 1 1 379.503 5.394 1 0 GKAFMO Fc1ccc2c(c1)onc2CCC[N@@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccc(F)cc3c12 ZINC000013827352 207001041 /nfs/dbraw/zinc/00/10/41/207001041.db2.gz FUWBTIWZNWXCRS-YCRPNKLZSA-N 1 1 393.437 5.282 1 0 GKAFMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)Nc2cccc3ccccc32)c2ccccc21 ZINC000017216058 207087349 /nfs/dbraw/zinc/08/73/49/207087349.db2.gz OLJFLNSWHPRAPF-FQEVSTJZSA-N 1 1 397.522 5.531 1 0 GKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000026184390 207309948 /nfs/dbraw/zinc/30/99/48/207309948.db2.gz MYYQJJHWMFXPIO-ZWKOTPCHSA-N 1 1 388.298 5.246 1 0 GKAFMO C[C@]12Cc3ccccc3C[C@@]1(c1cccc(O)c1)CC[N@H+](CCc1ccccc1)C2 ZINC000026842794 207320233 /nfs/dbraw/zinc/32/02/33/207320233.db2.gz ITGNKLZJCRMFGA-VSGBNLITSA-N 1 1 397.562 5.384 1 0 GKAFMO Fc1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)s3)[nH]c2c1 ZINC000045211339 207650597 /nfs/dbraw/zinc/65/05/97/207650597.db2.gz XNLJJBLXKZINNK-UHFFFAOYSA-N 1 1 391.515 6.083 1 0 GKAFMO C[N@H+](Cc1ccc(I)cc1)C[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000095560665 208232587 /nfs/dbraw/zinc/23/25/87/208232587.db2.gz KNVBEUMTQORZCV-GJYPPUQNSA-N 1 1 397.344 5.185 1 0 GKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H]([N@H+]3[C@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589079 208235960 /nfs/dbraw/zinc/23/59/60/208235960.db2.gz VCIZNRHEHKYVLY-LWVUOAAJSA-N 1 1 391.640 5.712 1 0 GKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H]([N@@H+]3[C@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589079 208235965 /nfs/dbraw/zinc/23/59/65/208235965.db2.gz VCIZNRHEHKYVLY-LWVUOAAJSA-N 1 1 391.640 5.712 1 0 GKAFMO O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1[N@H+](Cc1ccc2ccccc2c1)CC3 ZINC000013532291 221271757 /nfs/dbraw/zinc/27/17/57/221271757.db2.gz KYQHQUFUGAUIJV-SCTDOJESSA-N 1 1 397.518 5.444 1 0 GKAFMO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@H]1CCC[N@@H+]1C ZINC000013781966 221289137 /nfs/dbraw/zinc/28/91/37/221289137.db2.gz WQJDFALYGBYOOO-HXUWFJFHSA-N 1 1 382.507 5.428 1 0 GKAFMO CCN(CC)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1c[nH+]cn12 ZINC000013860332 221291645 /nfs/dbraw/zinc/29/16/45/221291645.db2.gz LRFWSZJBZIRADC-UHFFFAOYSA-N 1 1 379.895 5.434 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@@H]1C[N@@H+](Cc2cccc(-c4ccccc4)c2)CCN31 ZINC000072315820 136168229 /nfs/dbraw/zinc/16/82/29/136168229.db2.gz YMYDUVXFUAIERG-HSZRJFAPSA-N 1 1 379.507 5.082 1 0 GKAFMO Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000167357704 136197031 /nfs/dbraw/zinc/19/70/31/136197031.db2.gz QRWKSCTWTCHDII-HNNXBMFYSA-N 1 1 394.950 5.389 1 0 GKAFMO Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000167357704 136197032 /nfs/dbraw/zinc/19/70/32/136197032.db2.gz QRWKSCTWTCHDII-HNNXBMFYSA-N 1 1 394.950 5.389 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@H]1C[N@@H+](Cc2ccc(-c4ccccc4)cc2)CCN31 ZINC000169351338 136197251 /nfs/dbraw/zinc/19/72/51/136197251.db2.gz LBALZQQRFZMPJO-QHCPKHFHSA-N 1 1 379.507 5.082 1 0 GKAFMO Cc1ccc(-c2cc([C@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)on2)cc1 ZINC000036270815 221849465 /nfs/dbraw/zinc/84/94/65/221849465.db2.gz AUXUFNHAVGIVDC-ZBJYJBBSSA-N 1 1 392.930 6.037 1 0 GKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](c1cc(-c3ccccc3)no1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000058576948 222054217 /nfs/dbraw/zinc/05/42/17/222054217.db2.gz ZGCYMNJHHKQEGA-URLVKDPJSA-N 1 1 378.903 5.729 1 0 GKAFMO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)C[N@H+]2Cc2ccccc2)c1 ZINC000061942626 222063745 /nfs/dbraw/zinc/06/37/45/222063745.db2.gz CWLJIQZLOVNZND-URORMMCBSA-N 1 1 398.550 5.471 3 0 GKAFMO COc1ccc(C[N@H+]2CC[C@](C)(Oc3ccc(C(C)=O)cc3)C2)c2ccccc12 ZINC000061926707 222063811 /nfs/dbraw/zinc/06/38/11/222063811.db2.gz KFNHYIBJRWUPOS-VWLOTQADSA-N 1 1 389.495 5.094 3 0 GKAFMO COc1ccc([C@@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)cc1 ZINC000072125201 222208494 /nfs/dbraw/zinc/20/84/94/222208494.db2.gz DABKRNFTYNKBOJ-HSZRJFAPSA-N 1 1 397.950 5.289 1 0 GKAFMO CC1=Nc2ccc(Cl)cc2[C@@H](Cc2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072123111 222209022 /nfs/dbraw/zinc/20/90/22/222209022.db2.gz ASXCCQZONDDWOB-HSZRJFAPSA-N 1 1 381.951 5.475 1 0 GKAFMO C[C@@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000073164967 222268217 /nfs/dbraw/zinc/26/82/17/222268217.db2.gz AJMLLQGJLSFTSX-XAUMDUMWSA-N 1 1 398.472 5.985 1 0 GKAFMO C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936891 571845535 /nfs/dbraw/zinc/84/55/35/571845535.db2.gz JALVTHFTYRPDMB-CUYGNHRFSA-N 1 1 399.663 5.735 1 0 endogenous,in-man GKAFMO c1c2ccccc2sc1CCCC[N@@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000013827364 210094466 /nfs/dbraw/zinc/09/44/66/210094466.db2.gz NFZHTJRJDDMXHV-FDDCHVKYSA-N 1 1 386.564 6.467 1 0 GKAFMO CC[N@H+]1CCc2c3ccccc3sc2[C@@H](c2cccc(Br)c2)C1 ZINC000013781859 210089797 /nfs/dbraw/zinc/08/97/97/210089797.db2.gz AZJLNNJMUCJPAO-GOSISDBHSA-N 1 1 386.358 5.674 1 0 GKAFMO Cc1ccc(C(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccc(C)cc2)cc1 ZINC000013733998 210087092 /nfs/dbraw/zinc/08/70/92/210087092.db2.gz DZJSRGDCPYFRRD-SZPZYZBQSA-N 1 1 392.587 5.205 1 0 GKAFMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004908740 204089803 /nfs/dbraw/zinc/08/98/03/204089803.db2.gz HVFUMDAGAONKNU-GOSISDBHSA-N 1 1 399.922 5.019 1 0 GKAFMO Cc1cccc2nc(-c3cccc(-c4ccc(CN5CCC[C@@H]5C[NH3+])cc4)c3)[nH]c21 ZINC000045167090 205093161 /nfs/dbraw/zinc/09/31/61/205093161.db2.gz NVSSXLMIYICOHL-HSZRJFAPSA-N 1 1 396.538 5.128 1 0 GKAFMO Cc1ccc(C[N@@H+]([C@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)cc1 ZINC000058480594 205176254 /nfs/dbraw/zinc/17/62/54/205176254.db2.gz RVQKJSIAXQYDMK-BVAGGSTKSA-N 1 1 381.519 5.682 1 0 GKAFMO CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@@H]([NH3+])c2ccccc2)cs1 ZINC000061927724 205184823 /nfs/dbraw/zinc/18/48/23/205184823.db2.gz PUCLFKWKOOIDJG-SFHVURJKSA-N 1 1 380.517 5.133 3 0 GKAFMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000084756984 211173838 /nfs/dbraw/zinc/17/38/38/211173838.db2.gz NHFBFWCVJQVPBA-HSZRJFAPSA-N 1 1 390.914 5.011 1 0 GKAFMO C[C@@H](Nc1[nH+]cnc2[nH]c(-c3ccc(O)cc3)cc21)c1ccc(C(F)(F)F)cc1 ZINC000073162809 211124071 /nfs/dbraw/zinc/12/40/71/211124071.db2.gz SLTFOBNOJWROLI-GFCCVEGCSA-N 1 1 398.388 5.522 1 0 GKAFMO Cc1cccc([C@@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)c1 ZINC000072124510 211071932 /nfs/dbraw/zinc/07/19/32/211071932.db2.gz FQJLINCCXCOPSK-HSZRJFAPSA-N 1 1 381.951 5.589 1 0 GKAFMO FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@@H]3CC[N@H+]2Cc2ccccc2)cc1 ZINC000061942435 210932204 /nfs/dbraw/zinc/93/22/04/210932204.db2.gz UTKMIHZDRVPDOW-WMZHIEFXSA-N 1 1 393.452 6.807 1 0 GKAFMO O=C(CCC[N@H+]1[C@@H]2CCC[C@H]1Cc1[nH]c3ccccc3c12)c1ccc(F)cc1 ZINC000013827322 207000759 /nfs/dbraw/zinc/00/07/59/207000759.db2.gz CBYRMSTXGLKWPL-PGRDOPGGSA-N 1 1 376.475 5.422 1 0 GKAFMO O=C(CCC[N@@H+]1[C@@H]2CCC[C@H]1Cc1[nH]c3ccccc3c12)c1ccc(F)cc1 ZINC000013827322 207000762 /nfs/dbraw/zinc/00/07/62/207000762.db2.gz CBYRMSTXGLKWPL-PGRDOPGGSA-N 1 1 376.475 5.422 1 0 GKAFMO Fc1ccc([C@@H]2C[C@H](N3CC[N@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937945 207265731 /nfs/dbraw/zinc/26/57/31/207265731.db2.gz GKDSUAQEAHBUGZ-NWSQWKLXSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@@H]2C[C@H]([N@@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937945 207265734 /nfs/dbraw/zinc/26/57/34/207265734.db2.gz GKDSUAQEAHBUGZ-NWSQWKLXSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@@H]2C[C@H]([N@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937945 207265738 /nfs/dbraw/zinc/26/57/38/207265738.db2.gz GKDSUAQEAHBUGZ-NWSQWKLXSA-N 1 1 384.926 5.226 1 0 GKAFMO N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000022941546 207267650 /nfs/dbraw/zinc/26/76/50/207267650.db2.gz GAEAFMJGLPCGOT-FGZHOGPDSA-N 1 1 396.456 5.569 1 0 GKAFMO N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000022941546 207267653 /nfs/dbraw/zinc/26/76/53/207267653.db2.gz GAEAFMJGLPCGOT-FGZHOGPDSA-N 1 1 396.456 5.569 1 0 GKAFMO Clc1ccc(COc2ccc(Br)cc2C[NH+]2CCCC2)cc1 ZINC000028822074 207349294 /nfs/dbraw/zinc/34/92/94/207349294.db2.gz FIIVPUQAOXHOJD-UHFFFAOYSA-N 1 1 380.713 5.277 1 0 GKAFMO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccc(Cl)cc4)cc3[C@]1(C)CC[N@H+]2C ZINC000029401193 207362214 /nfs/dbraw/zinc/36/22/14/207362214.db2.gz VAYLTGFJFJPGOS-UPNLOYSTSA-N 1 1 385.960 5.427 1 0 GKAFMO Fc1ccc(SCCC[N@H+]2CCCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000082155610 208082304 /nfs/dbraw/zinc/08/23/04/208082304.db2.gz PXQSRAWVKJTJBP-UHFFFAOYSA-N 1 1 378.944 5.174 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@@H](c1ccc(O)cc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558959 208232518 /nfs/dbraw/zinc/23/25/18/208232518.db2.gz WXNVVRPBWAFRSW-QFIPXVFZSA-N 1 1 394.474 5.687 1 0 GKAFMO CCc1c(C)sc2c1CC[N@@H+](Cc1cccc(OC)c1)[C@H]2c1ccccc1 ZINC000008609026 221046538 /nfs/dbraw/zinc/04/65/38/221046538.db2.gz MQQNMCCYUAIQJJ-QHCPKHFHSA-N 1 1 377.553 5.775 1 0 GKAFMO CC(C)[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152588 221262945 /nfs/dbraw/zinc/26/29/45/221262945.db2.gz XANBEVHQLOSTKB-FPCALVHFSA-N 1 1 385.551 5.965 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1cc(-c2ccc(F)cc2)no1 ZINC000013532722 221272223 /nfs/dbraw/zinc/27/22/23/221272223.db2.gz FVADGMQMXZXNNA-KPYOPSEVSA-N 1 1 396.893 5.868 1 0 GKAFMO CCCCN(CC)c1cc(C)[nH+]c2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000013553459 221273337 /nfs/dbraw/zinc/27/33/37/221273337.db2.gz XRJLOZVVSVUPJT-UHFFFAOYSA-N 1 1 387.354 7.143 1 0 GKAFMO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@@H]1CCC[N@@H+]1C ZINC000013781967 221289625 /nfs/dbraw/zinc/28/96/25/221289625.db2.gz WQJDFALYGBYOOO-FQEVSTJZSA-N 1 1 382.507 5.428 1 0 GKAFMO Cc1c(C(=O)c2cccc3ccccc32)c2ccccc2n1C[C@@H]1CCCC[N@@H+]1C ZINC000013781969 221289784 /nfs/dbraw/zinc/28/97/84/221289784.db2.gz AGQTZVREGWVYIE-NRFANRHFSA-N 1 1 396.534 5.818 1 0 GKAFMO C[N@@H+](Cc1ccccc1)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000013835803 221292308 /nfs/dbraw/zinc/29/23/08/221292308.db2.gz UDCVQVNMMCKETF-REWPJTCUSA-N 1 1 382.334 6.702 1 0 GKAFMO c1ccc(-c2ccc3[nH+]ccc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1 ZINC000058502020 136155498 /nfs/dbraw/zinc/15/54/98/136155498.db2.gz SGFXIGDZMUKKKK-UHFFFAOYSA-N 1 1 381.479 5.482 1 0 GKAFMO CC(C)(C)c1ccc(-c2nc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C3)co2)cc1 ZINC000072101066 222205529 /nfs/dbraw/zinc/20/55/29/222205529.db2.gz XPWGBNJHZFIPQL-QFIPXVFZSA-N 1 1 389.543 5.003 1 0 GKAFMO CC(C)(C)c1ccc(-c2nc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)co2)cc1 ZINC000072101066 222205532 /nfs/dbraw/zinc/20/55/32/222205532.db2.gz XPWGBNJHZFIPQL-QFIPXVFZSA-N 1 1 389.543 5.003 1 0 GKAFMO Cc1ccc([C@@H]2c3ccc4ccccc4c3Oc3[nH+]c4c(c(N)c32)CCCC4)cc1 ZINC000095562611 222354235 /nfs/dbraw/zinc/35/42/35/222354235.db2.gz NOYFWGHMIIUBCE-HSZRJFAPSA-N 1 1 392.502 6.290 1 0 GKAFMO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([N@@H+]3[C@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589534 222358072 /nfs/dbraw/zinc/35/80/72/222358072.db2.gz SVKYGVDORTVLKD-RSQOWLEJSA-N 1 1 393.656 5.504 1 0 GKAFMO CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@H+]1CC1CC1 ZINC000071329469 517589608 /nfs/dbraw/zinc/58/96/08/517589608.db2.gz MFIHHVASXXTULF-SNYIIPAISA-N 1 1 395.616 5.587 1 0 GKAFMO CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)[N@@H+]1C ZINC000141000565 560045207 /nfs/dbraw/zinc/04/52/07/560045207.db2.gz GWUVVBGBGHVMSR-AKIFATBCSA-N 1 1 381.601 5.671 1 0 biogenic,in-vitro GKAFMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118936893 571845516 /nfs/dbraw/zinc/84/55/16/571845516.db2.gz JALVTHFTYRPDMB-MQNJFURXSA-N 1 1 399.663 5.735 1 0 endogenous,in-man GKAFMO Clc1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@@H+]32)cc1 ZINC000019320059 210240566 /nfs/dbraw/zinc/24/05/66/210240566.db2.gz LVRGUQOBRYEEEZ-YMPZKCBVSA-N 1 1 377.919 5.287 1 0 GKAFMO Clc1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)cc1 ZINC000019320059 210240571 /nfs/dbraw/zinc/24/05/71/210240571.db2.gz LVRGUQOBRYEEEZ-YMPZKCBVSA-N 1 1 377.919 5.287 1 0 GKAFMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21 ZINC000013672810 210077453 /nfs/dbraw/zinc/07/74/53/210077453.db2.gz ADSQNNVUKDSCQJ-SFHVURJKSA-N 1 1 398.506 5.215 1 0 GKAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccc(F)cc4)no2)[N@H+]3C)cc1 ZINC000013532726 210064159 /nfs/dbraw/zinc/06/41/59/210064159.db2.gz HDJDHOXJDMHXTD-IKJKNFHUSA-N 1 1 376.475 5.523 1 0 GKAFMO CC1=C2C[C@]3(C[N@H+]4CC45CCCC5)CC[C@@H](C4CCCCC4)[C@@]2(CC1)C3(C)C ZINC000085548278 291145990 /nfs/dbraw/zinc/14/59/90/291145990.db2.gz PZNIQIKBIPJYJH-HFUXRLGPSA-N 1 1 381.648 7.118 1 0 biogenic,in-vitro GKAFMO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011663350 204348860 /nfs/dbraw/zinc/34/88/60/204348860.db2.gz KKHNJYVBFZCNCA-OAQYLSRUSA-N 1 1 386.499 5.205 3 0 GKAFMO Clc1ccc(CC[N@@H+](CC2CC2)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl ZINC000038349235 205035332 /nfs/dbraw/zinc/03/53/32/205035332.db2.gz KUFHVKLXHYGCLV-FCHUYYIVSA-N 1 1 395.418 5.655 1 0 GKAFMO Clc1ccc(CCN(CC2CC2)[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1Cl ZINC000038349235 205035337 /nfs/dbraw/zinc/03/53/37/205035337.db2.gz KUFHVKLXHYGCLV-FCHUYYIVSA-N 1 1 395.418 5.655 1 0 GKAFMO CC1(C)C[N@H+]2CCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 ZINC000045191291 205093336 /nfs/dbraw/zinc/09/33/36/205093336.db2.gz OPTFAFIWYJEQIA-ZRFOIIEFSA-N 1 1 380.919 5.420 1 0 GKAFMO C[C@@]1(Oc2ccc3ccccc3c2)CC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000061895511 205182886 /nfs/dbraw/zinc/18/28/86/205182886.db2.gz TZQTUXQSTKZCFL-HSZRJFAPSA-N 1 1 389.524 5.130 3 0 GKAFMO O=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105301 205303023 /nfs/dbraw/zinc/30/30/23/205303023.db2.gz KEABBCJDBHTNKY-QHCPKHFHSA-N 1 1 391.461 5.188 1 0 GKAFMO O=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105301 205303026 /nfs/dbraw/zinc/30/30/26/205303026.db2.gz KEABBCJDBHTNKY-QHCPKHFHSA-N 1 1 391.461 5.188 1 0 GKAFMO COc1cccc([C@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)c1 ZINC000072123016 205306355 /nfs/dbraw/zinc/30/63/55/205306355.db2.gz LPDRIPSSVYFIBE-QHCPKHFHSA-N 1 1 397.950 5.289 1 0 GKAFMO Cc1ccc([C@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)cc1 ZINC000072125733 205307716 /nfs/dbraw/zinc/30/77/16/205307716.db2.gz HSQMVGBVMYMIES-QHCPKHFHSA-N 1 1 381.951 5.589 1 0 GKAFMO Clc1ccc(Cl)c(-c2[nH+]c3ccccn3c2NC2CCCCC2)c1Cl ZINC000072177468 211081709 /nfs/dbraw/zinc/08/17/09/211081709.db2.gz HRQMHELYEHWCPB-UHFFFAOYSA-N 1 1 394.733 6.706 1 0 GKAFMO Cn1c2ccccc2c2c1C[C@@H]1CC[C@H]2[N@@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000013827334 207000854 /nfs/dbraw/zinc/00/08/54/207000854.db2.gz NMLUMLDZLGGLOV-GHTZIAJQSA-N 1 1 376.475 5.042 1 0 GKAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)[N@H+]3C)cc1 ZINC000014978609 207037697 /nfs/dbraw/zinc/03/76/97/207037697.db2.gz IWJUZLMNKAYNPQ-GNXKAVGDSA-N 1 1 392.543 5.992 1 0 GKAFMO CC[C@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1[C@@H](CO)C2 ZINC000017215817 207088269 /nfs/dbraw/zinc/08/82/69/207088269.db2.gz DFSFUXVZVGGWRV-LIKDZFNVSA-N 1 1 388.555 5.391 1 0 GKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2ccccc2)[N@H+]3CCc2ccccc2)cc1 ZINC000026994089 207322574 /nfs/dbraw/zinc/32/25/74/207322574.db2.gz VRZKLUWXHSBNPD-WXIAYYLYSA-N 1 1 381.563 6.342 1 0 GKAFMO C[C@H]1[C@@H]2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CC[N@H+]2CC1CC1 ZINC000027979147 207333049 /nfs/dbraw/zinc/33/30/49/207333049.db2.gz JIFZQSNBCYYAEQ-HDBFHEOPSA-N 1 1 394.990 5.886 1 0 GKAFMO CC(C)C1CCC([NH+]2CCC3(CC2)[C@H](c2ccccc2)C[C@H]2C[N@H+](C)C[C@H]23)CC1 ZINC000029487460 207362191 /nfs/dbraw/zinc/36/21/91/207362191.db2.gz FNTLZGSLCSXJMW-KGDPBBFQSA-N 1 1 394.647 5.649 1 0 GKAFMO C[C@@H](C[N@H+]1CCCC[C@@H]1C1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029410753 207363411 /nfs/dbraw/zinc/36/34/11/207363411.db2.gz LPAUBGYFXKGKGY-HFZDXXHNSA-N 1 1 389.583 6.456 1 0 GKAFMO Cc1cccc(C)c1C(OC[C@@H]1C[N@@H+](C(C)C)C(C)(C)O1)c1c(C)cccc1C ZINC000084688957 208095857 /nfs/dbraw/zinc/09/58/57/208095857.db2.gz VFTYZNALKQIWPV-QFIPXVFZSA-N 1 1 395.587 5.872 1 0 GKAFMO Cc1cccc(C)c1C(OC[C@@H]1C[N@H+](C(C)C)C(C)(C)O1)c1c(C)cccc1C ZINC000084688957 208095862 /nfs/dbraw/zinc/09/58/62/208095862.db2.gz VFTYZNALKQIWPV-QFIPXVFZSA-N 1 1 395.587 5.872 1 0 GKAFMO Cc1scc(C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1-c1ccc(C)cc1 ZINC000013809664 221290350 /nfs/dbraw/zinc/29/03/50/221290350.db2.gz CXEQQSFOSUDTSX-FQEVSTJZSA-N 1 1 390.596 6.051 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccc(Cl)cc1 ZINC000013740265 221286603 /nfs/dbraw/zinc/28/66/03/221286603.db2.gz JMGOXADQYRFNLP-NBYUQASBSA-N 1 1 390.310 5.165 1 0 GKAFMO Fc1ccc(CCCC[N@@H+]2[C@@H]3CCC[C@H]2Cc2[nH]c4ccc(F)cc4c23)cc1 ZINC000013827332 221290620 /nfs/dbraw/zinc/29/06/20/221290620.db2.gz HFQNYAGAZJZTFL-WMZHIEFXSA-N 1 1 380.482 5.921 1 0 GKAFMO CCC(CC)Nc1cc(C)[nH+]c(Oc2c(C)cc(Br)cc2C)c1C ZINC000014975032 221323343 /nfs/dbraw/zinc/32/33/43/221323343.db2.gz USORJQXJHPZQNE-UHFFFAOYSA-N 1 1 391.353 6.471 1 0 GKAFMO Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000167118440 136197014 /nfs/dbraw/zinc/19/70/14/136197014.db2.gz DZQRMYQZZBIVHO-HNNXBMFYSA-N 1 1 394.950 5.389 1 0 GKAFMO Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000167118440 136197015 /nfs/dbraw/zinc/19/70/15/136197015.db2.gz DZQRMYQZZBIVHO-HNNXBMFYSA-N 1 1 394.950 5.389 1 0 GKAFMO CSc1ccc(C[N@H+]2CC[C@](C)(Oc3cnc(Cl)c4ccccc34)C2)cc1 ZINC000061907971 222062971 /nfs/dbraw/zinc/06/29/71/222062971.db2.gz TXUHDBFNUOEKLU-QFIPXVFZSA-N 1 1 398.959 5.654 3 0 GKAFMO Fc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CC[N@@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC000061942596 222063891 /nfs/dbraw/zinc/06/38/91/222063891.db2.gz KOMJISITPMSOLZ-XXBNENTESA-N 1 1 387.454 5.656 1 0 GKAFMO c1ccc2c(c1)cccc2C[C@@H]1CNCC[N@@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000061948748 222063942 /nfs/dbraw/zinc/06/39/42/222063942.db2.gz HFPZCPNYMSEVKR-KCFSFPSPSA-N 1 1 388.599 5.263 3 0 GKAFMO c1ccc2c(c1)cccc2C[C@@H]1C[NH2+]CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000061948748 222063946 /nfs/dbraw/zinc/06/39/46/222063946.db2.gz HFPZCPNYMSEVKR-KCFSFPSPSA-N 1 1 388.599 5.263 3 0 GKAFMO C[C@@]1(C(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1csc2ccccc12 ZINC000061930465 222064555 /nfs/dbraw/zinc/06/45/55/222064555.db2.gz DWGFTANSSODJMB-QHCPKHFHSA-N 1 1 387.508 5.053 3 0 GKAFMO C[C@@]1(C(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1csc2ccccc12 ZINC000061930465 222064559 /nfs/dbraw/zinc/06/45/59/222064559.db2.gz DWGFTANSSODJMB-QHCPKHFHSA-N 1 1 387.508 5.053 3 0 GKAFMO [NH3+][C@H](c1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1Cl ZINC000061925936 222064635 /nfs/dbraw/zinc/06/46/35/222064635.db2.gz PNCJXFPIRXQUHP-HNNXBMFYSA-N 1 1 393.299 5.142 3 0 GKAFMO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@H+]1CC1CC1 ZINC000071318086 222180275 /nfs/dbraw/zinc/18/02/75/222180275.db2.gz FRDUPITUKOIMGG-XTQVGHSUSA-N 1 1 381.589 5.197 1 0 GKAFMO O=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105300 222206049 /nfs/dbraw/zinc/20/60/49/222206049.db2.gz KEABBCJDBHTNKY-HSZRJFAPSA-N 1 1 391.461 5.188 1 0 GKAFMO O=C1CC[N@H+](Cc2ccccc2)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105300 222206053 /nfs/dbraw/zinc/20/60/53/222206053.db2.gz KEABBCJDBHTNKY-HSZRJFAPSA-N 1 1 391.461 5.188 1 0 GKAFMO COc1cc2cc(-c3cccc(-c4ccccc4)c3)[nH+]c(N(C)C)c2cc1OC ZINC000095561029 222355246 /nfs/dbraw/zinc/35/52/46/222355246.db2.gz MBXZYLLYSVVCLU-UHFFFAOYSA-N 1 1 384.479 5.652 1 0 GKAFMO C[N@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905660 536353386 /nfs/dbraw/zinc/35/33/86/536353386.db2.gz CKTUADCTOAJCNC-GOSISDBHSA-N 1 1 375.541 5.712 1 0 GKAFMO C[C@@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000118936892 571845462 /nfs/dbraw/zinc/84/54/62/571845462.db2.gz JALVTHFTYRPDMB-FPOKOSRYSA-N 1 1 399.663 5.735 1 0 endogenous,in-man GKAFMO CCC[N@@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741745 581094304 /nfs/dbraw/zinc/09/43/04/581094304.db2.gz INAFJGHXLCGHAU-HXUWFJFHSA-N 1 1 396.962 5.860 1 0 GKAFMO Clc1ccccc1[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@@H+]21 ZINC000019321934 210240069 /nfs/dbraw/zinc/24/00/69/210240069.db2.gz DEZWKIQYIZDMDY-MZYLBHOOSA-N 1 1 377.919 5.287 1 0 GKAFMO Clc1ccccc1[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@H+]21 ZINC000019321934 210240073 /nfs/dbraw/zinc/24/00/73/210240073.db2.gz DEZWKIQYIZDMDY-MZYLBHOOSA-N 1 1 377.919 5.287 1 0 GKAFMO CC[N@H+]1CCc2c3ccccc3sc2[C@H](c2cccc(Br)c2)C1 ZINC000013781860 210089275 /nfs/dbraw/zinc/08/92/75/210089275.db2.gz AZJLNNJMUCJPAO-SFHVURJKSA-N 1 1 386.358 5.674 1 0 GKAFMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5cccc(OC)c5N(c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000069482274 291149048 /nfs/dbraw/zinc/14/90/48/291149048.db2.gz HSUAFHXMLKPHAP-VNSJUHMKSA-N 1 1 388.555 5.512 1 0 biogenic,in-vitro GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 ZINC000002003217 212261097 /nfs/dbraw/zinc/26/10/97/212261097.db2.gz DAAKBMHWKLVSKY-YOFSQIOKSA-N 1 1 376.327 5.725 1 0 GKAFMO Fc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCc2coc3ccc(Cl)cc23)CC1 ZINC000038358929 205035297 /nfs/dbraw/zinc/03/52/97/205035297.db2.gz YYZHENJHTMXRID-UHFFFAOYSA-N 1 1 394.877 6.038 1 0 GKAFMO C(=C/c1cc(NCc2ccccc2)nc(NCc2ccccc2)[nH+]1)\c1ccccc1 ZINC000040429596 205065804 /nfs/dbraw/zinc/06/58/04/205065804.db2.gz KYSUHNHFMDBOSM-WUKNDPDISA-N 1 1 392.506 5.871 1 0 GKAFMO Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCC[C@H]5C[NH3+])c4)cc3)[nH]c21 ZINC000045188635 205093099 /nfs/dbraw/zinc/09/30/99/205093099.db2.gz PPOAXIKBTDFKPJ-QHCPKHFHSA-N 1 1 396.538 5.128 1 0 GKAFMO Fc1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)cc3)[nH]c2c1 ZINC000045303282 205094666 /nfs/dbraw/zinc/09/46/66/205094666.db2.gz OMIPKGYUSWDMBE-UHFFFAOYSA-N 1 1 385.486 6.022 1 0 GKAFMO Cc1ccc(C[N@@H+]([C@@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)cc1 ZINC000045300156 205094864 /nfs/dbraw/zinc/09/48/64/205094864.db2.gz RVQKJSIAXQYDMK-ZEQKJWHPSA-N 1 1 381.519 5.682 1 0 GKAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(Cc4ccc(F)cc4)no2)[N@H+]3C)cc1 ZINC000045483964 205096947 /nfs/dbraw/zinc/09/69/47/205096947.db2.gz HBNJBAYPISRYRT-KBOSCXGNSA-N 1 1 390.502 5.447 1 0 GKAFMO CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CC[N@H+](Cc3ccccc3)[C@H]12 ZINC000040835635 205073351 /nfs/dbraw/zinc/07/33/51/205073351.db2.gz GVKOSZJZXMPQQH-SXOMAYOGSA-N 1 1 386.583 6.299 1 0 GKAFMO Cc1cc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)[N@H+]3C)ccc1Cl ZINC000072105467 205303687 /nfs/dbraw/zinc/30/36/87/205303687.db2.gz QGJBJCQWBZDANK-WGWURMLHSA-N 1 1 392.930 6.037 1 0 GKAFMO O=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000072116458 205304983 /nfs/dbraw/zinc/30/49/83/205304983.db2.gz DCDQHOXJSLPHIT-VWLOTQADSA-N 1 1 379.503 5.394 1 0 GKAFMO O=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000072116458 205304988 /nfs/dbraw/zinc/30/49/88/205304988.db2.gz DCDQHOXJSLPHIT-VWLOTQADSA-N 1 1 379.503 5.394 1 0 GKAFMO COc1ccc([C@H]2c3cc(Cl)ccc3N=C(C)N2CC[NH+]2CCCCC2)cc1 ZINC000072125200 205307295 /nfs/dbraw/zinc/30/72/95/205307295.db2.gz DABKRNFTYNKBOJ-QHCPKHFHSA-N 1 1 397.950 5.289 1 0 GKAFMO C[N@H+]1C/C=C\CCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000084705556 205399184 /nfs/dbraw/zinc/39/91/84/205399184.db2.gz POMYHNIMGZPDRA-NSCUHMNNSA-N 1 1 395.510 5.234 1 0 GKAFMO CC(C)c1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](C)CC3)cc1C(F)(F)F ZINC000084687345 211174719 /nfs/dbraw/zinc/17/47/19/211174719.db2.gz DVXLSZRNUFWLBU-UHFFFAOYSA-N 1 1 376.422 5.069 1 0 GKAFMO Cc1cccc(C)c1C(OC[C@H]1C[N@@H+](C(C)C)C(C)(C)O1)c1c(C)cccc1C ZINC000084688958 211174447 /nfs/dbraw/zinc/17/44/47/211174447.db2.gz VFTYZNALKQIWPV-JOCHJYFZSA-N 1 1 395.587 5.872 1 0 GKAFMO Cc1cccc(C)c1C(OC[C@H]1C[N@H+](C(C)C)C(C)(C)O1)c1c(C)cccc1C ZINC000084688958 211174451 /nfs/dbraw/zinc/17/44/51/211174451.db2.gz VFTYZNALKQIWPV-JOCHJYFZSA-N 1 1 395.587 5.872 1 0 GKAFMO C1=C/C[N@@H+](C2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082153842 211163649 /nfs/dbraw/zinc/16/36/49/211163649.db2.gz TXYKUCFACDXMFT-OWOJBTEDSA-N 1 1 398.510 5.190 1 0 GKAFMO C1=C/C[N@H+](C2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082153842 211163653 /nfs/dbraw/zinc/16/36/53/211163653.db2.gz TXYKUCFACDXMFT-OWOJBTEDSA-N 1 1 398.510 5.190 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@H](c1ccc(O)cc1)c1c(ccc4ccccc41)O3)CCCC2 ZINC000071316303 211045734 /nfs/dbraw/zinc/04/57/34/211045734.db2.gz CSKKIWCKDPLSDW-JOCHJYFZSA-N 1 1 394.474 5.687 1 0 GKAFMO c1ccc2c(c1)CCc1ccccc1N2CSC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000071295239 211044647 /nfs/dbraw/zinc/04/46/47/211044647.db2.gz XSOOJIUBTJQKSA-XZOQPEGZSA-N 1 1 392.612 5.879 1 0 GKAFMO c1ccc(CC[N@H+]2CCC[C@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862732 207003248 /nfs/dbraw/zinc/00/32/48/207003248.db2.gz HQXCPXHVSRWLFR-QHCPKHFHSA-N 1 1 380.535 6.257 1 0 in-vivo GKAFMO COC(=O)c1ccc(Nc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000026965238 207321347 /nfs/dbraw/zinc/32/13/47/207321347.db2.gz BIRXIMHINOMMAU-UHFFFAOYSA-N 1 1 391.858 5.268 1 0 GKAFMO COc1c(-c2nc3ccc(C(N)=[NH2+])cc3[nH]2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000029338935 207360844 /nfs/dbraw/zinc/36/08/44/207360844.db2.gz ARQGRTUNCBNPRH-UHFFFAOYSA-N 1 1 378.520 5.118 1 0 GKAFMO CC(C)CCC[N@@H+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084587346 208093158 /nfs/dbraw/zinc/09/31/58/208093158.db2.gz ZSEOGZBIECBCLX-CAQMSIDYSA-N 1 1 389.668 6.127 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@H](c1ccc(O)cc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558958 208231704 /nfs/dbraw/zinc/23/17/04/208231704.db2.gz WXNVVRPBWAFRSW-JOCHJYFZSA-N 1 1 394.474 5.687 1 0 GKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccc(-c3ccccc3)cc2)[nH+]c2ccccn21 ZINC000095562008 208233010 /nfs/dbraw/zinc/23/30/10/208233010.db2.gz OVILYNBGHZUZJD-UHFFFAOYSA-N 1 1 397.566 7.295 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1)C2 ZINC000100834260 208383978 /nfs/dbraw/zinc/38/39/78/208383978.db2.gz JVRPSAXWRWKONX-IVAOSVALSA-N 1 1 393.424 5.576 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CCN31 ZINC000118364088 136192255 /nfs/dbraw/zinc/19/22/55/136192255.db2.gz VJYRFSZIRUISDG-JOCHJYFZSA-N 1 1 379.507 5.082 1 0 GKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](c1nnc(-c3ccccc3)o1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000058608838 222054587 /nfs/dbraw/zinc/05/45/87/222054587.db2.gz BTMJKIPIYJYOOV-ZRNYENFQSA-N 1 1 379.891 5.124 1 0 GKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c1-3 ZINC000072176230 222216627 /nfs/dbraw/zinc/21/66/27/222216627.db2.gz QBLFVLVMLBAUAE-LJQANCHMSA-N 1 1 378.516 5.106 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@H](c1ccccc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558572 222354734 /nfs/dbraw/zinc/35/47/34/222354734.db2.gz JLCLWWKDILNTDR-JOCHJYFZSA-N 1 1 378.475 5.982 1 0 GKAFMO CCC[N@@H+](CCCOc1cccc(Cl)c1)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741746 581094321 /nfs/dbraw/zinc/09/43/21/581094321.db2.gz INAFJGHXLCGHAU-FQEVSTJZSA-N 1 1 396.962 5.860 1 0 GKAFMO c1ccc(CC[N@H+]2CCC[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862731 210095088 /nfs/dbraw/zinc/09/50/88/210095088.db2.gz HQXCPXHVSRWLFR-HSZRJFAPSA-N 1 1 380.535 6.257 1 0 in-vivo GKAFMO O[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(Cl)c(Cl)c1 ZINC000013766719 210090235 /nfs/dbraw/zinc/09/02/35/210090235.db2.gz CDDODAHZNGOHJP-RHXYGLJOSA-N 1 1 376.327 5.437 1 0 GKAFMO CCC(CC)Nc1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(Cl)cc1Cl ZINC000013584780 210070795 /nfs/dbraw/zinc/07/07/95/210070795.db2.gz ONBOUDYKYLXEOS-UHFFFAOYSA-N 1 1 393.318 5.388 1 0 GKAFMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006738639 204196730 /nfs/dbraw/zinc/19/67/30/204196730.db2.gz DWNMKHORTDGZCK-HNNXBMFYSA-N 1 1 386.586 5.015 1 0 GKAFMO FC(F)(F)c1cccc(-c2nc(C[NH+]3CCC(F)(F)CC3)c3ccccn32)c1 ZINC000043203378 205082078 /nfs/dbraw/zinc/08/20/78/205082078.db2.gz KLDDXUZNQKHJCV-UHFFFAOYSA-N 1 1 395.375 5.251 1 0 GKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)s3)[nH]c21 ZINC000045322651 205096592 /nfs/dbraw/zinc/09/65/92/205096592.db2.gz WAOCZCZOJFUUBL-UHFFFAOYSA-N 1 1 387.552 6.253 1 0 GKAFMO Cc1ccc(Cc2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@@H+]4C)on2)cc1 ZINC000045497612 205097496 /nfs/dbraw/zinc/09/74/96/205097496.db2.gz IAMKFWCUQGPZKF-WSKLTFMVSA-N 1 1 386.539 5.616 1 0 GKAFMO c1ccc2c(c1)cccc2CC[N@H+]1CCNC[C@H]1Cc1cccc2ccccc21 ZINC000061948905 205184267 /nfs/dbraw/zinc/18/42/67/205184267.db2.gz MQXYIJLFFYAVPF-RUZDIDTESA-N 1 1 380.535 5.052 3 0 GKAFMO c1ccc2c(c1)cccc2CCN1CC[NH2+]C[C@H]1Cc1cccc2ccccc21 ZINC000061948905 205184272 /nfs/dbraw/zinc/18/42/72/205184272.db2.gz MQXYIJLFFYAVPF-RUZDIDTESA-N 1 1 380.535 5.052 3 0 GKAFMO c1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000100788546 211392379 /nfs/dbraw/zinc/39/23/79/211392379.db2.gz VSQWONPJPLALKE-PEPAQOBHSA-N 1 1 384.567 6.621 1 0 GKAFMO CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cc[nH+]c2ccccc21 ZINC000082154643 211163078 /nfs/dbraw/zinc/16/30/78/211163078.db2.gz SIAOLXNDYRLPBM-UHFFFAOYSA-N 1 1 376.463 5.712 1 0 GKAFMO Clc1cccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@@H+]32)c1 ZINC000019321928 207115541 /nfs/dbraw/zinc/11/55/41/207115541.db2.gz KFFHAHIXCYVGIC-MZYLBHOOSA-N 1 1 377.919 5.287 1 0 GKAFMO Clc1cccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)c1 ZINC000019321928 207115543 /nfs/dbraw/zinc/11/55/43/207115543.db2.gz KFFHAHIXCYVGIC-MZYLBHOOSA-N 1 1 377.919 5.287 1 0 GKAFMO Fc1ccc([C@@H]2C[C@@H](N3CC[N@H+]4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937939 207265311 /nfs/dbraw/zinc/26/53/11/207265311.db2.gz GKDSUAQEAHBUGZ-UNWVZKJWSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@@H]2C[C@@H]([N@@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937939 207265315 /nfs/dbraw/zinc/26/53/15/207265315.db2.gz GKDSUAQEAHBUGZ-UNWVZKJWSA-N 1 1 384.926 5.226 1 0 GKAFMO Fc1ccc([C@@H]2C[C@@H]([N@H+]3CCN4CCCC[C@@H]4C3)c3cc(Cl)ccc32)cc1 ZINC000022937939 207265320 /nfs/dbraw/zinc/26/53/20/207265320.db2.gz GKDSUAQEAHBUGZ-UNWVZKJWSA-N 1 1 384.926 5.226 1 0 GKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](c1nnc(-c3ccccc3)o1)[C@H](c1ccc(Cl)cc1)C2 ZINC000026655717 207317957 /nfs/dbraw/zinc/31/79/57/207317957.db2.gz BTMJKIPIYJYOOV-FYQPLNBISA-N 1 1 379.891 5.124 1 0 GKAFMO CCCCCC1(CCCCC)CCC2(CC[NH+](CCCN(C)C)CC2)CC1 ZINC000026744697 207319346 /nfs/dbraw/zinc/31/93/46/207319346.db2.gz GGBNHSBEAQXZIL-UHFFFAOYSA-N 1 1 378.689 6.741 1 0 GKAFMO CCCOC(=O)c1ccc([C@@H]2c3cc(C)ccc3[C@H]3C[N@H+](CC)CC[C@@H]23)cc1 ZINC000027763688 207330332 /nfs/dbraw/zinc/33/03/32/207330332.db2.gz TYMGNTJVFQQQMO-JRFVFWCSSA-N 1 1 377.528 5.133 1 0 GKAFMO CCCCN[C@@H](c1ccc(OC)cc1)[C@H]([NH2+]CCCC)c1ccc(OC)cc1 ZINC000027897142 207332408 /nfs/dbraw/zinc/33/24/08/207332408.db2.gz SOXOSPJHYCOVSJ-PSWAGMNNSA-N 1 1 384.564 5.266 1 0 GKAFMO CC(=O)NCC(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)(c1ccccc1)c1ccccc1 ZINC000029552273 207364783 /nfs/dbraw/zinc/36/47/83/207364783.db2.gz JUHSKDJNFUXDNS-SZPZYZBQSA-N 1 1 392.587 5.152 1 0 GKAFMO Cc1ccc(C[C@H](c2ccccc2)[NH+]2CCN(C3CCCCCCC3)CC2)cc1 ZINC000039233855 207564005 /nfs/dbraw/zinc/56/40/05/207564005.db2.gz YIBLNMHWFYHYHK-HHHXNRCGSA-N 1 1 390.615 6.009 1 0 GKAFMO CCC(C)(C)[C@]12CC[N@H+](C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084690468 208098656 /nfs/dbraw/zinc/09/86/56/208098656.db2.gz KRYUIRYOZARVOP-QPPBQGQZSA-N 1 1 393.531 5.083 1 0 GKAFMO CCC(C)(C)[C@]12CC[N@@H+](C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084690468 208098662 /nfs/dbraw/zinc/09/86/62/208098662.db2.gz KRYUIRYOZARVOP-QPPBQGQZSA-N 1 1 393.531 5.083 1 0 GKAFMO Oc1cccc([C@]23CC[N@@H+](CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1 ZINC000096910735 208327844 /nfs/dbraw/zinc/32/78/44/208327844.db2.gz YXPACWDGDILFNQ-DMKHAHDWSA-N 1 1 375.556 5.547 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1)C2 ZINC000100834441 208384009 /nfs/dbraw/zinc/38/40/09/208384009.db2.gz WZMSAZDHYHGFTN-IVAOSVALSA-N 1 1 375.434 5.437 1 0 GKAFMO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101061065 208385618 /nfs/dbraw/zinc/38/56/18/208385618.db2.gz YGVRYGYKGFIQTL-NUNAXRQHSA-N 1 1 384.514 5.439 1 0 GKAFMO COc1ccc(-c2cc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@H+]4C)on2)cc1 ZINC000013532752 221271651 /nfs/dbraw/zinc/27/16/51/221271651.db2.gz WDCUMSARTHPFTE-VUHNXCBZSA-N 1 1 388.511 5.393 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccccc2)s1 ZINC000013756872 221288092 /nfs/dbraw/zinc/28/80/92/221288092.db2.gz WEUZYHQNGQDGAB-HIUFNZKISA-N 1 1 394.971 6.197 1 0 in-vivo GKAFMO CCCCCC[N@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 ZINC000013741147 221286427 /nfs/dbraw/zinc/28/64/27/221286427.db2.gz XLGJTNDMPQXWQX-FNZWTVRRSA-N 1 1 388.555 5.760 1 0 GKAFMO Cc1ccc(SC[C@@H](c2ccccc2)N2CC[N@H+](CC(C)C)CCC2=O)cc1 ZINC000013830494 221290927 /nfs/dbraw/zinc/29/09/27/221290927.db2.gz XYEVPWVPFJXMNZ-QHCPKHFHSA-N 1 1 396.600 5.019 1 0 GKAFMO Clc1cccc(N2CC[NH+](Cc3csc4ccccc34)CC2)c1Cl ZINC000096283196 136186116 /nfs/dbraw/zinc/18/61/16/136186116.db2.gz BLVKQYQCYGVTBD-UHFFFAOYSA-N 1 1 377.340 5.530 1 0 GKAFMO c1[nH]c2cccc3c2c1C[C@H]1C[N@@H+](Cc2cccc(-c4ccccc4)c2)CCN31 ZINC000169351337 136197258 /nfs/dbraw/zinc/19/72/58/136197258.db2.gz YMYDUVXFUAIERG-QHCPKHFHSA-N 1 1 379.507 5.082 1 0 GKAFMO CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@H+]1CC1CCC1 ZINC000071318830 222180878 /nfs/dbraw/zinc/18/08/78/222180878.db2.gz GNOWSJYOGJOBFL-SNYIIPAISA-N 1 1 395.616 5.587 1 0 GKAFMO CC(C)CCC[N@@H+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084587347 222317735 /nfs/dbraw/zinc/31/77/35/222317735.db2.gz ZSEOGZBIECBCLX-AVCKHWJFSA-N 1 1 389.668 6.127 1 0 GKAFMO CC(C)(C)[NH+]1CC(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C1 ZINC000169333195 534663446 /nfs/dbraw/zinc/66/34/46/534663446.db2.gz LLXYJWWUHHYDDP-UHFFFAOYSA-N 1 1 378.463 5.791 1 0 GKAFMO C[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@]2(C)CCC(=O)CCC1CCCC1 ZINC000006032293 560204695 /nfs/dbraw/zinc/20/46/95/560204695.db2.gz LOYWOYCPSWPKFH-DSNGMDLFSA-N 1 1 383.576 5.236 1 0 in-vitro GKAFMO C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936890 571845499 /nfs/dbraw/zinc/84/54/99/571845499.db2.gz JALVTHFTYRPDMB-WCECAUQUSA-N 1 1 399.663 5.735 1 0 endogenous,in-man GKAFMO CCC[N@@H+](CCCc1ccccc1OC)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741743 581094334 /nfs/dbraw/zinc/09/43/34/581094334.db2.gz AAYJEWYLPYARLE-OAQYLSRUSA-N 1 1 376.544 5.379 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nnc(-c2ccccc2)o1 ZINC000013756864 210088963 /nfs/dbraw/zinc/08/89/63/210088963.db2.gz BTMJKIPIYJYOOV-NMLBUPMWSA-N 1 1 379.891 5.124 1 0 GKAFMO CC(C)=CCc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(CC=C(C)C)c1O ZINC000014589195 291144901 /nfs/dbraw/zinc/14/49/01/291144901.db2.gz MYEROKWORYNFGZ-AIZNXBIQSA-N 1 1 397.559 5.192 1 0 biogenic,in-vitro GKAFMO c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000013453511 209234051 /nfs/dbraw/zinc/23/40/51/209234051.db2.gz RBMCSBYYUMIAIO-IZZNHLLZSA-N 1 1 399.534 5.358 1 0 GKAFMO CCC[N@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1C ZINC000003994992 204022663 /nfs/dbraw/zinc/02/26/63/204022663.db2.gz KSSRXIYWMVGMKJ-KRWDZBQOSA-N 1 1 375.491 5.770 1 0 GKAFMO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011663351 204348845 /nfs/dbraw/zinc/34/88/45/204348845.db2.gz KKHNJYVBFZCNCA-NRFANRHFSA-N 1 1 386.499 5.205 3 0 GKAFMO CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)[N@@H+](CCC)CC3 ZINC000040395367 205063675 /nfs/dbraw/zinc/06/36/75/205063675.db2.gz MUDQDDJDUSCNJB-OAQYLSRUSA-N 1 1 393.527 5.323 1 0 GKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCC[C@@H]([NH3+])C5)cc4)cc3)[nH]c21 ZINC000045189817 205092750 /nfs/dbraw/zinc/09/27/50/205092750.db2.gz YFXCRNZTDJKZGO-HSZRJFAPSA-N 1 1 396.538 5.128 1 0 GKAFMO C[N@@H+]1C(C)(C)C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1(C)C ZINC000049072351 205124970 /nfs/dbraw/zinc/12/49/70/205124970.db2.gz SDJKTRLZFNOBTM-UHFFFAOYSA-N 1 1 389.518 6.159 1 0 GKAFMO Fc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)[N@H+]3Cc2ccccc2)cc1 ZINC000058604263 205176280 /nfs/dbraw/zinc/17/62/80/205176280.db2.gz BFSNZDLQLAIWKQ-RSYZFUPGSA-N 1 1 389.489 6.269 1 0 GKAFMO CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@H]([NH3+])c2ccccc2)cs1 ZINC000061927722 205184210 /nfs/dbraw/zinc/18/42/10/205184210.db2.gz PUCLFKWKOOIDJG-GOSISDBHSA-N 1 1 380.517 5.133 3 0 GKAFMO CC(=O)c1cc2cccc(O[C@]3(C)CC[N@@H+](Cc4ccc5ccccc5c4)C3)c2o1 ZINC000061929995 205184323 /nfs/dbraw/zinc/18/43/23/205184323.db2.gz VQMXYBCDEGPIPQ-AREMUKBSSA-N 1 1 399.490 5.832 3 0 GKAFMO CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1cccc(Cl)c1 ZINC000072123296 205306994 /nfs/dbraw/zinc/30/69/94/205306994.db2.gz WBHNYGBOSGGJFP-JOCHJYFZSA-N 1 1 381.306 6.649 1 0 GKAFMO CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000072123218 205307558 /nfs/dbraw/zinc/30/75/58/205307558.db2.gz QNVQTTHRZMNVDK-QFIPXVFZSA-N 1 1 381.306 6.649 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 ZINC000103270932 205645362 /nfs/dbraw/zinc/64/53/62/205645362.db2.gz IEGSLXIOIORDKJ-OOSNJVJTSA-N 1 1 394.317 5.864 1 0 GKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC000100759258 211391487 /nfs/dbraw/zinc/39/14/87/211391487.db2.gz FJOILEPIGZXBDJ-NUNAXRQHSA-N 1 1 392.543 5.405 1 0 GKAFMO C[N@H+](Cc1ccc(I)cc1)C[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000095560664 211277302 /nfs/dbraw/zinc/27/73/02/211277302.db2.gz KNVBEUMTQORZCV-MDZRGWNJSA-N 1 1 397.344 5.185 1 0 GKAFMO O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc2c(c1)[C@@H]1CCC[N@@H+]1CC2 ZINC000084687346 211173541 /nfs/dbraw/zinc/17/35/41/211173541.db2.gz QEGLTNNQTQPAIP-MFUYTVRRSA-N 1 1 386.417 5.050 1 0 GKAFMO C[C@@H](c1ccccc1)[N@H+]1C[C@](C)(c2ccccc2)N(O)[C@@H](c2ccccc2)[C@@H]1C ZINC000073351211 211127777 /nfs/dbraw/zinc/12/77/77/211127777.db2.gz JUGSFJFMUZGDPP-KPOMPZIKSA-N 1 1 386.539 5.800 1 0 GKAFMO COc1ccccc1CN1C(C)=[NH+]c2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000072124867 211071388 /nfs/dbraw/zinc/07/13/88/211071388.db2.gz NHFHNBYBRVBGPO-HSZRJFAPSA-N 1 1 376.887 6.004 1 0 GKAFMO Nc1c2c([nH+]c3c1[C@@H](c1ccc(O)cc1)c1c(ccc4ccccc41)O3)CCCC2 ZINC000071316302 211045101 /nfs/dbraw/zinc/04/51/01/211045101.db2.gz CSKKIWCKDPLSDW-QFIPXVFZSA-N 1 1 394.474 5.687 1 0 GKAFMO O=C(Nc1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(Cl)cc1 ZINC000066128990 211001631 /nfs/dbraw/zinc/00/16/31/211001631.db2.gz SONHVPLGNLUBDM-UHFFFAOYSA-N 1 1 376.887 5.151 1 0 GKAFMO CC[C@@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1[C@@H](CO)C2 ZINC000017215814 207087627 /nfs/dbraw/zinc/08/76/27/207087627.db2.gz DFSFUXVZVGGWRV-VANUSSGQSA-N 1 1 388.555 5.391 1 0 GKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](c1cc(-c3ccccc3)no1)[C@H](c1ccc(Cl)cc1)C2 ZINC000026660320 207318346 /nfs/dbraw/zinc/31/83/46/207318346.db2.gz ZGCYMNJHHKQEGA-SQVLJLFZSA-N 1 1 378.903 5.729 1 0 GKAFMO CC(C)c1ccc(-c2c3c(n[nH+]c2N)c2cc(Br)ccc2n3C)cc1 ZINC000027089136 207322225 /nfs/dbraw/zinc/32/22/25/207322225.db2.gz NCQORPIRKOYONW-UHFFFAOYSA-N 1 1 395.304 5.257 1 0 GKAFMO Clc1ccc2c(c1)nccc2NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026257937 207312119 /nfs/dbraw/zinc/31/21/19/207312119.db2.gz QOILDLCYEKYVRJ-UHFFFAOYSA-N 1 1 397.309 6.004 1 0 GKAFMO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@H+]3CCC[C@H]4CCCC[C@@H]43)[C@@H]12 ZINC000028003399 207333864 /nfs/dbraw/zinc/33/38/64/207333864.db2.gz GZCFTOXAOVPCDV-HBRJAMFXSA-N 1 1 387.608 5.425 1 0 GKAFMO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC3CCCCC3)C[N@@H+](C)[C@@H]1C2 ZINC000027520669 207325881 /nfs/dbraw/zinc/32/58/81/207325881.db2.gz WYMDUSBVNGEBHS-JMUQELJHSA-N 1 1 394.559 5.058 1 0 GKAFMO O=C(Nc1ccccc1)Nc1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000029240175 207359089 /nfs/dbraw/zinc/35/90/89/207359089.db2.gz IEUDFLVLULWXJM-ZEQRLZLVSA-N 1 1 383.495 5.613 1 0 GKAFMO CC(C)(C)Nc1c(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)[nH+]c2ccccn21 ZINC000073157600 208034024 /nfs/dbraw/zinc/03/40/24/208034024.db2.gz IHFCIYLSNBQPNH-UHFFFAOYSA-N 1 1 399.473 5.894 1 0 GKAFMO Clc1ccc(N2CCC[N@@H+](CCCc3nc4ccccc4s3)CC2)cc1 ZINC000073200411 208034587 /nfs/dbraw/zinc/03/45/87/208034587.db2.gz OUSOPIMSKOMYQI-UHFFFAOYSA-N 1 1 385.964 5.095 1 0 GKAFMO O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc2c(c1)[C@H]1CCC[N@@H+]1CC2 ZINC000084687347 208094838 /nfs/dbraw/zinc/09/48/38/208094838.db2.gz QEGLTNNQTQPAIP-CSNYQSHPSA-N 1 1 386.417 5.050 1 0 GKAFMO CC(C)[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013152589 221262834 /nfs/dbraw/zinc/26/28/34/221262834.db2.gz XANBEVHQLOSTKB-HVWQDESWSA-N 1 1 385.551 5.965 1 0 GKAFMO O=C1c2ccc(OCC3CCC3)cc2[C@@]23CCCC[C@H]2[C@@H]1[N@@H+](CC1CCC1)CC3 ZINC000013532260 221271505 /nfs/dbraw/zinc/27/15/05/221271505.db2.gz CNPKHMRIMIVLGC-LLZJGCNPSA-N 1 1 393.571 5.364 1 0 GKAFMO O=C1c2ccc(OCC3CCC3)cc2[C@@]23CCCC[C@H]2[C@@H]1[N@H+](CC1CCC1)CC3 ZINC000013532260 221271506 /nfs/dbraw/zinc/27/15/06/221271506.db2.gz CNPKHMRIMIVLGC-LLZJGCNPSA-N 1 1 393.571 5.364 1 0 GKAFMO CN1OC[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061924006 222064003 /nfs/dbraw/zinc/06/40/03/222064003.db2.gz GRJZOUAOTRIPOJ-GSDHBNRESA-N 1 1 384.523 5.162 3 0 GKAFMO Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000066102877 222137099 /nfs/dbraw/zinc/13/70/99/222137099.db2.gz QRWKSCTWTCHDII-OAHLLOKOSA-N 1 1 394.950 5.389 1 0 GKAFMO Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000066102877 222137100 /nfs/dbraw/zinc/13/71/00/222137100.db2.gz QRWKSCTWTCHDII-OAHLLOKOSA-N 1 1 394.950 5.389 1 0 GKAFMO O=C(Nc1ccc(Cl)cc1)c1ccc(CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000066139462 222139553 /nfs/dbraw/zinc/13/95/53/222139553.db2.gz PFWKCRBPHMRNAX-UHFFFAOYSA-N 1 1 390.914 5.193 1 0 GKAFMO C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000013835792 210093511 /nfs/dbraw/zinc/09/35/11/210093511.db2.gz UDCVQVNMMCKETF-NZQKXSOJSA-N 1 1 382.334 6.702 1 0 GKAFMO O[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl ZINC000013766715 210090914 /nfs/dbraw/zinc/09/09/14/210090914.db2.gz YZSQCQQXQNXTIO-KRXYWNSISA-N 1 1 376.327 5.437 1 0 GKAFMO