smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@H+]4CC3)c2-c2ccncc2)cc1 ZINC000000590353 210250354 /nfs/dbraw/zinc/25/03/54/210250354.db2.gz KVBWUPVGVUIAIX-FQEVSTJZSA-N 1 1 359.448 5.134 1 0 FKAFMO O=C(CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000000597843 219304708 /nfs/dbraw/zinc/30/47/08/219304708.db2.gz MHVQZSQFNIXABK-UHFFFAOYSA-N 1 1 360.284 5.356 1 0 FKAFMO Fc1ccc(-c2[nH]cc(C3=C[C@H]4CCC[N@H+]4CC3)c2-c2ccncc2)cc1 ZINC000001493739 210356869 /nfs/dbraw/zinc/35/68/69/210356869.db2.gz KVBWUPVGVUIAIX-HXUWFJFHSA-N 1 1 359.448 5.134 1 0 FKAFMO CC[C@@]12CCC[N@@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1CC2 ZINC000001630796 210364715 /nfs/dbraw/zinc/36/47/15/210364715.db2.gz AYTQCCBUFYJHMJ-RPBOFIJWSA-N 1 1 358.529 5.858 1 0 FKAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000001660248 210363713 /nfs/dbraw/zinc/36/37/13/210363713.db2.gz OCVGKOKAQNBCSV-SZPZYZBQSA-N 1 1 369.455 5.254 1 0 FKAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000001660259 204016678 /nfs/dbraw/zinc/01/66/78/204016678.db2.gz USTUNSNQMDWSMK-WKRVNPTQSA-N 1 1 371.471 5.334 1 0 FKAFMO c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000001669268 132382336 /nfs/dbraw/zinc/38/23/36/132382336.db2.gz GZPPTPXSBCSPFO-ZWKOTPCHSA-N 1 1 350.531 5.554 1 0 FKAFMO CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c1nc[nH+]c2N ZINC000002005135 210376963 /nfs/dbraw/zinc/37/69/63/210376963.db2.gz MYSJNRWPLKEUQT-UHFFFAOYSA-N 1 1 358.445 5.228 1 0 FKAFMO C[NH+](C)Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008536371 204334029 /nfs/dbraw/zinc/33/40/29/204334029.db2.gz QPRPWLRGVVKXAH-UHFFFAOYSA-N 1 1 372.447 5.006 1 0 FKAFMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119887 570773915 /nfs/dbraw/zinc/77/39/15/570773915.db2.gz XXNRZZXPXAFYRJ-HVVFZDMJSA-N 1 1 357.497 5.328 1 0 FKAFMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119889 211024678 /nfs/dbraw/zinc/02/46/78/211024678.db2.gz XXNRZZXPXAFYRJ-CTZQYXLCSA-N 1 1 357.497 5.328 1 0 FKAFMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119892 211023926 /nfs/dbraw/zinc/02/39/26/211023926.db2.gz XXNRZZXPXAFYRJ-KTEAYJLESA-N 1 1 357.497 5.328 1 0 FKAFMO CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccn[nH]1 ZINC000013472106 220068351 /nfs/dbraw/zinc/06/83/51/220068351.db2.gz JPZILXAOIDULDN-UHFFFAOYSA-N 1 1 354.477 5.363 1 0 FKAFMO c1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)[nH]n1 ZINC000013472107 220067856 /nfs/dbraw/zinc/06/78/56/220067856.db2.gz OKNUWULHZMMVQQ-UHFFFAOYSA-N 1 1 374.467 5.687 1 0 FKAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000013487735 220069316 /nfs/dbraw/zinc/06/93/16/220069316.db2.gz GCAHRQVSTZKWEH-GFONPWLDSA-N 1 1 369.936 5.709 1 0 FKAFMO C[C@H]1[C@@H]2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CC[N@H+]2CC1CC1 ZINC000013493431 211035571 /nfs/dbraw/zinc/03/55/71/211035571.db2.gz BZXKIAFEGKPVMG-WDNCENIBSA-N 1 1 360.545 5.233 1 0 FKAFMO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)[N@H+]3C)cc1 ZINC000013532686 211038381 /nfs/dbraw/zinc/03/83/81/211038381.db2.gz SSEYJTZXHQMBJU-IKJKNFHUSA-N 1 1 358.485 5.384 1 0 FKAFMO C[N@H+]1CCCC[C@@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 ZINC000013554200 220073140 /nfs/dbraw/zinc/07/31/40/220073140.db2.gz WEYUDGFFZFIESK-QGZVFWFLSA-N 1 1 356.000 5.627 1 0 FKAFMO C[N@H+]1CCCC[C@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 ZINC000013554201 211039462 /nfs/dbraw/zinc/03/94/62/211039462.db2.gz WEYUDGFFZFIESK-KRWDZBQOSA-N 1 1 356.000 5.627 1 0 FKAFMO CCC(=O)c1cccc(-c2ccc3oc(CC[N@H+]4CCC[C@H]4C)cc3c2)c1 ZINC000013606779 220078589 /nfs/dbraw/zinc/07/85/89/220078589.db2.gz CELAAZUTSNRGKM-QGZVFWFLSA-N 1 1 361.485 5.719 1 0 FKAFMO Cc1cc2c([nH]1)c(Cl)cc1c2[C@H]2c3ccccc3CC[C@@H]2[N@@H+](C)CC1 ZINC000013608516 211042998 /nfs/dbraw/zinc/04/29/98/211042998.db2.gz MJXFQOBCXVELQL-FPOVZHCZSA-N 1 1 350.893 5.064 1 0 FKAFMO C[C@]12CCCC[C@@]1(c1cccc(O)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000013677950 211048090 /nfs/dbraw/zinc/04/80/90/211048090.db2.gz YVASRVQRZZSUCP-RPBOFIJWSA-N 1 1 363.545 5.549 1 0 FKAFMO Clc1ccc(C2=CCC[C@@H](C[N@@H+]3CC=C(c4ccccc4)CC3)C2)cc1 ZINC000013738849 220092235 /nfs/dbraw/zinc/09/22/35/220092235.db2.gz ITANASSNEOXAJO-LJQANCHMSA-N 1 1 363.932 6.313 1 0 FKAFMO COc1ccc(C2=CCC[C@@H](C[N@@H+]3CC=C(c4ccccc4)CC3)C2)cc1 ZINC000013738851 211056969 /nfs/dbraw/zinc/05/69/69/211056969.db2.gz JCNGPOQBWNDDLN-HXUWFJFHSA-N 1 1 359.513 5.668 1 0 FKAFMO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000013740368 211056510 /nfs/dbraw/zinc/05/65/10/211056510.db2.gz JBXUCKVGAYPPEH-LAMXGVLKSA-N 1 1 363.545 5.414 1 0 FKAFMO CC(C)=C1c2ccccc2C=C(C2=CC[N@@H+](C)CC2)c2cc(Cl)ccc21 ZINC000013740497 220092026 /nfs/dbraw/zinc/09/20/26/220092026.db2.gz IAOUVQRCRUKJNM-UHFFFAOYSA-N 1 1 361.916 6.298 1 0 FKAFMO CCCCC[N@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 ZINC000013741146 211056595 /nfs/dbraw/zinc/05/65/95/211056595.db2.gz XPCLUWISULHCPB-DFBJGRDBSA-N 1 1 374.528 5.370 1 0 FKAFMO CCC[N@@H+](CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741768 220092316 /nfs/dbraw/zinc/09/23/16/220092316.db2.gz YXESVSAQXNVTIV-JOCHJYFZSA-N 1 1 374.528 5.183 1 0 FKAFMO CCC[N@@H+](CCCc1ccccc1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741769 220091834 /nfs/dbraw/zinc/09/18/34/220091834.db2.gz YXESVSAQXNVTIV-QFIPXVFZSA-N 1 1 374.528 5.183 1 0 FKAFMO Cc1c(C)n([C@@H](C)c2ccccc2)c2nc[nH+]c(N[C@@H](C)c3ccccc3)c12 ZINC000013756605 211058881 /nfs/dbraw/zinc/05/88/81/211058881.db2.gz PQWKBENBHSNINP-HKUYNNGSSA-N 1 1 370.500 5.831 1 0 FKAFMO Clc1ccc(-c2cc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[nH]n2)cc1 ZINC000013763842 211057810 /nfs/dbraw/zinc/05/78/10/211057810.db2.gz RKWDQZZKDQAENU-GOSISDBHSA-N 1 1 351.881 5.110 1 0 FKAFMO CC1(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000013763872 220093404 /nfs/dbraw/zinc/09/34/04/220093404.db2.gz UOIRCOOXVJGCIE-UHFFFAOYSA-N 1 1 365.908 5.284 1 0 FKAFMO Cc1[nH]cc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[nH+]1 ZINC000013765651 211058562 /nfs/dbraw/zinc/05/85/62/211058562.db2.gz YYVJPYSXCHDNEY-MTMZYOSNSA-N 1 1 354.538 5.125 1 0 FKAFMO CCCCCCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(C)C[N@H+]1C ZINC000013826364 220097205 /nfs/dbraw/zinc/09/72/05/220097205.db2.gz APPQUNGDZNNCCP-YLJYHZDGSA-N 1 1 354.563 5.740 1 0 FKAFMO Fc1ccc(CCCC[N@@H+]2[C@@H]3CCC[C@H]2Cc2[nH]c4ccccc4c23)cc1 ZINC000013827328 220097107 /nfs/dbraw/zinc/09/71/07/220097107.db2.gz HFDHTQNBCFVPGS-WMZHIEFXSA-N 1 1 362.492 5.782 1 0 FKAFMO c1[nH]c2ccccc2c1CCCC[N@@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000013827368 211061917 /nfs/dbraw/zinc/06/19/17/211061917.db2.gz XNMOWIHSJLFIBW-MHECFPHRSA-N 1 1 369.512 5.734 1 0 FKAFMO c1ccc(C[N@H+]2CCC[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862729 220098581 /nfs/dbraw/zinc/09/85/81/220098581.db2.gz RXGPCIHYSMKIRI-JOCHJYFZSA-N 1 1 366.508 6.215 1 0 in-vivo FKAFMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1F)[C@@H]2c1ccccc1 ZINC000021337804 211313301 /nfs/dbraw/zinc/31/33/01/211313301.db2.gz OFEQTWIRIOQICC-JOCHJYFZSA-N 1 1 365.517 5.906 1 0 FKAFMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccccc1F)[C@H]2c1ccccc1 ZINC000021337806 220357250 /nfs/dbraw/zinc/35/72/50/220357250.db2.gz OFEQTWIRIOQICC-QFIPXVFZSA-N 1 1 365.517 5.906 1 0 FKAFMO C[C@@H]1C[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C ZINC000022937951 211371175 /nfs/dbraw/zinc/37/11/75/211371175.db2.gz JQBCJANIMSRFBC-SUMGPEMVSA-N 1 1 372.915 5.080 1 0 FKAFMO CN1CC[N@H+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C ZINC000022938069 211370085 /nfs/dbraw/zinc/37/00/85/211370085.db2.gz KMKBRLPCUKJMSX-PZJWPPBQSA-N 1 1 372.915 5.082 1 0 FKAFMO CN1CC[N@@H+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C ZINC000022938069 211370083 /nfs/dbraw/zinc/37/00/83/211370083.db2.gz KMKBRLPCUKJMSX-PZJWPPBQSA-N 1 1 372.915 5.082 1 0 FKAFMO C[N@H+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C ZINC000022938069 211370078 /nfs/dbraw/zinc/37/00/78/211370078.db2.gz KMKBRLPCUKJMSX-PZJWPPBQSA-N 1 1 372.915 5.082 1 0 FKAFMO C[N@H+]1CCN([C@@H]2C[C@@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C ZINC000022938080 211372115 /nfs/dbraw/zinc/37/21/15/211372115.db2.gz BEJFETGIBLFMPS-WIYYLYMNSA-N 1 1 372.915 5.082 1 0 FKAFMO CN1CC[N@H+]([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938093 211370780 /nfs/dbraw/zinc/37/07/80/211370780.db2.gz JUUYXOLEDYTRCB-PKOBYXMFSA-N 1 1 360.954 5.004 1 0 FKAFMO CN1CC[N@@H+]([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938093 211370775 /nfs/dbraw/zinc/37/07/75/211370775.db2.gz JUUYXOLEDYTRCB-PKOBYXMFSA-N 1 1 360.954 5.004 1 0 FKAFMO C[N@H+]1CCN([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938093 211370773 /nfs/dbraw/zinc/37/07/73/211370773.db2.gz JUUYXOLEDYTRCB-PKOBYXMFSA-N 1 1 360.954 5.004 1 0 FKAFMO CCCCC[C@H](c1ccccc1)[N@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941634 211369917 /nfs/dbraw/zinc/36/99/17/211369917.db2.gz JQEVLYWMVMKITJ-BHIFYINESA-N 1 1 356.941 5.736 1 0 FKAFMO CCCCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941634 211369914 /nfs/dbraw/zinc/36/99/14/211369914.db2.gz JQEVLYWMVMKITJ-BHIFYINESA-N 1 1 356.941 5.736 1 0 FKAFMO CCCCCC[C@H](c1ccccc1)[N@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941646 211371103 /nfs/dbraw/zinc/37/11/03/211371103.db2.gz PYVYQSFRPHLGSU-XPWALMASSA-N 1 1 370.968 6.126 1 0 FKAFMO CCCCCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941646 211371100 /nfs/dbraw/zinc/37/11/00/211371100.db2.gz PYVYQSFRPHLGSU-XPWALMASSA-N 1 1 370.968 6.126 1 0 FKAFMO CCCCCC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941649 211369576 /nfs/dbraw/zinc/36/95/76/211369576.db2.gz PYVYQSFRPHLGSU-RJGXRXQPSA-N 1 1 370.968 6.126 1 0 FKAFMO CCCCCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@H](N)c1cccc(Cl)c1 ZINC000022941649 211369570 /nfs/dbraw/zinc/36/95/70/211369570.db2.gz PYVYQSFRPHLGSU-RJGXRXQPSA-N 1 1 370.968 6.126 1 0 FKAFMO Nc1[nH+]cnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1 ZINC000026266757 581098350 /nfs/dbraw/zinc/09/83/50/581098350.db2.gz OWDYYQABYMVBBC-UHFFFAOYSA-N 1 1 370.456 5.588 1 0 FKAFMO Nc1[nH+]cnc2c1c(-c1ccccc1Oc1ccccc1)cn2C1CCCC1 ZINC000026271750 581098442 /nfs/dbraw/zinc/09/84/42/581098442.db2.gz PAHKLGUKLSFIBQ-UHFFFAOYSA-N 1 1 370.456 5.588 1 0 FKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)[N@H+]3C)cc1 ZINC000026663722 204854340 /nfs/dbraw/zinc/85/43/40/204854340.db2.gz GUXROWKWRXBXAG-FBPBVXOASA-N 1 1 358.485 5.384 1 0 FKAFMO CC(C)=CC[N@H+]1CCn2c(=S)[nH]c3cc(Cl)cc(c32)[C@H]1CC(C)C ZINC000027877006 204869902 /nfs/dbraw/zinc/86/99/02/204869902.db2.gz HFQJVFNWKBKYOG-QGZVFWFLSA-N 1 1 363.958 5.721 1 0 FKAFMO CC(C)=CC[N@@H+]1CCn2c(=S)[nH]c3cc(Cl)cc(c32)[C@H]1CC(C)C ZINC000027877006 204869901 /nfs/dbraw/zinc/86/99/01/204869901.db2.gz HFQJVFNWKBKYOG-QGZVFWFLSA-N 1 1 363.958 5.721 1 0 FKAFMO COc1cccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](C)CC4)c1 ZINC000028230113 220565931 /nfs/dbraw/zinc/56/59/31/220565931.db2.gz WLVLTEKEJBBUJF-QPTUXGOLSA-N 1 1 363.501 5.176 1 0 FKAFMO COc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](C)CC4)cc1 ZINC000028230893 211482022 /nfs/dbraw/zinc/48/20/22/211482022.db2.gz PLUHQFRZUCCQIZ-QPTUXGOLSA-N 1 1 363.501 5.176 1 0 FKAFMO c1ccc(CC[N@H+]2CCC3=C(C2)[C@@H](c2ccccc2)c2ccccc23)cc1 ZINC000028263086 204878885 /nfs/dbraw/zinc/87/88/85/204878885.db2.gz FLNPBFBYQVNSIL-SANMLTNESA-N 1 1 351.493 5.534 1 0 FKAFMO CC(C)(C)c1ccc([C@@H]2[NH2+]Cc3c(Cl)cccc3-n3cccc32)cc1 ZINC000028467685 204882494 /nfs/dbraw/zinc/88/24/94/204882494.db2.gz SCANTWNKVLLUST-NRFANRHFSA-N 1 1 350.893 5.621 1 0 FKAFMO CSc1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCC[N@@H+](C)C1 ZINC000028821635 136153568 /nfs/dbraw/zinc/15/35/68/136153568.db2.gz GKDHCOFVJKDDND-OAHLLOKOSA-N 1 1 356.560 5.353 1 0 FKAFMO CSc1ccc2c(c1)Sc1ccccc1N2C[C@H]1CCC[N@@H+](C)C1 ZINC000028821636 136153500 /nfs/dbraw/zinc/15/35/00/136153500.db2.gz GKDHCOFVJKDDND-HNNXBMFYSA-N 1 1 356.560 5.353 1 0 FKAFMO CC[C@H]1CCC[C@@]23CC[N@@H+](CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000029477559 207991435 /nfs/dbraw/zinc/99/14/35/207991435.db2.gz KAOWEHFUQIEFQN-ZQAWKMMESA-N 1 1 353.550 5.190 1 0 FKAFMO C[NH+](C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000029480791 207991511 /nfs/dbraw/zinc/99/15/11/207991511.db2.gz FICYCFGUUJWZSL-UHFFFAOYSA-N 1 1 355.485 5.419 1 0 FKAFMO c1ccc([C@@H]2C[N@H+](CCCc3cccnc3)Cc3c4ccccc4[nH]c32)cc1 ZINC000029489243 207993904 /nfs/dbraw/zinc/99/39/04/207993904.db2.gz JULFDEFXVAZHOF-QFIPXVFZSA-N 1 1 367.496 5.143 1 0 FKAFMO Fc1ccc(-c2[nH]cc(C3=CC[N@H+]4CCCC[C@@H]4C3)c2-c2ccncc2)cc1 ZINC000033983767 208102123 /nfs/dbraw/zinc/10/21/23/208102123.db2.gz XDGNTQXBOQQVHL-OAQYLSRUSA-N 1 1 373.475 5.524 1 0 FKAFMO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1)c1ccccc1 ZINC000034337996 211616098 /nfs/dbraw/zinc/61/60/98/211616098.db2.gz CLYMVAVVSSYJKT-MAOIWGCQSA-N 1 1 369.508 5.291 1 0 FKAFMO c1ccc2c(c1)[nH]c1c2CC[N@H+](CCCCc2ccc3ccccc3n2)C1 ZINC000034602038 208105095 /nfs/dbraw/zinc/10/50/95/208105095.db2.gz WKXZOEAHOWJCTL-UHFFFAOYSA-N 1 1 355.485 5.097 1 0 FKAFMO c1ccc2c(c1)[nH]c1c2CC[N@@H+](CCCCc2ccc3ccccc3n2)C1 ZINC000034602038 208105088 /nfs/dbraw/zinc/10/50/88/208105088.db2.gz WKXZOEAHOWJCTL-UHFFFAOYSA-N 1 1 355.485 5.097 1 0 FKAFMO C[C@@H]1CCC[N@H+]1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1 ZINC000034612596 208105635 /nfs/dbraw/zinc/10/56/35/208105635.db2.gz JUQKBZXPODCAKJ-MRXNPFEDSA-N 1 1 373.525 5.538 1 0 FKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)[N@H+]3C)cc1 ZINC000036270954 205008478 /nfs/dbraw/zinc/00/84/78/205008478.db2.gz GUXROWKWRXBXAG-JFYQVNSESA-N 1 1 358.485 5.384 1 0 FKAFMO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)[N@H+]3C)cc1 ZINC000036271012 208152576 /nfs/dbraw/zinc/15/25/76/208152576.db2.gz SSEYJTZXHQMBJU-CETSDDCJSA-N 1 1 358.485 5.384 1 0 FKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)[N@H+]3C)cc1 ZINC000036271014 208153032 /nfs/dbraw/zinc/15/30/32/208153032.db2.gz SSEYJTZXHQMBJU-ZBJYJBBSSA-N 1 1 358.485 5.384 1 0 FKAFMO Fc1ccc2c(C3=CC[N@H+]([C@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 ZINC000036311391 208151607 /nfs/dbraw/zinc/15/16/07/208151607.db2.gz OXZFNGHFFSZQER-DEOSSOPVSA-N 1 1 368.455 5.847 1 0 FKAFMO Fc1ccc2c(C3=CC[N@H+]([C@@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 ZINC000036311393 205009210 /nfs/dbraw/zinc/00/92/10/205009210.db2.gz OXZFNGHFFSZQER-XMMPIXPASA-N 1 1 368.455 5.847 1 0 FKAFMO CCCc1cc2c(s1)C[N@@H+](C)C[C@H]2c1ccc(Br)cc1 ZINC000038157571 208199731 /nfs/dbraw/zinc/19/97/31/208199731.db2.gz MEBGJFJGTRYFQQ-INIZCTEOSA-N 1 1 350.325 5.040 1 0 FKAFMO Cc1cccc(C[C@@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)c1 ZINC000039233844 208209179 /nfs/dbraw/zinc/20/91/79/208209179.db2.gz AOAIGKHFHYWSMX-VWLOTQADSA-N 1 1 362.561 5.229 1 0 FKAFMO Cc1cccc(C[C@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)c1 ZINC000039233845 205044969 /nfs/dbraw/zinc/04/49/69/205044969.db2.gz AOAIGKHFHYWSMX-RUZDIDTESA-N 1 1 362.561 5.229 1 0 FKAFMO Cc1ccc(C[C@@H](c2ccccc2)[NH+]2CCN(C3CCCCC3)CC2)cc1 ZINC000039233850 208207739 /nfs/dbraw/zinc/20/77/39/208207739.db2.gz MXVGNFLAZDGHPE-VWLOTQADSA-N 1 1 362.561 5.229 1 0 FKAFMO CC[C@@H]1CCC[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040373617 205066407 /nfs/dbraw/zinc/06/64/07/205066407.db2.gz KAOWEHFUQIEFQN-LKDDOFHYSA-N 1 1 353.550 5.190 1 0 FKAFMO Cc1ccccc1[C@](O)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000040374639 208249639 /nfs/dbraw/zinc/24/96/39/208249639.db2.gz CSEFBNLLZLOJNN-IMSXRSKXSA-N 1 1 351.534 5.274 1 0 FKAFMO C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000040401842 205069683 /nfs/dbraw/zinc/06/96/83/205069683.db2.gz GRXVSGFWVGQEOE-CPJSRVTESA-N 1 1 357.497 5.006 1 0 FKAFMO COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000040461374 208255685 /nfs/dbraw/zinc/25/56/85/208255685.db2.gz URDKDABBNGKIDR-BKOZITRISA-N 1 1 353.550 5.046 1 0 FKAFMO CC[N@@H+](CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 ZINC000040472003 205071479 /nfs/dbraw/zinc/07/14/79/205071479.db2.gz FBINLPWZDBDJAV-UXHICEINSA-N 1 1 369.380 5.265 1 0 FKAFMO CC[N@H+](CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 ZINC000040472003 205071478 /nfs/dbraw/zinc/07/14/78/205071478.db2.gz FBINLPWZDBDJAV-UXHICEINSA-N 1 1 369.380 5.265 1 0 FKAFMO CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CCc1ccccc1)CC3 ZINC000040640798 205074086 /nfs/dbraw/zinc/07/40/86/205074086.db2.gz ILPOFDRRJCJAHC-SKBVVQJISA-N 1 1 373.540 5.190 1 0 FKAFMO C[N@@H+]1Cc2c(NC(=O)OCc3ccccc3)cccc2[C@@H](c2ccccc2)C1 ZINC000040641537 205075004 /nfs/dbraw/zinc/07/50/04/205075004.db2.gz YCXQGXRGCFDGSF-OAQYLSRUSA-N 1 1 372.468 5.013 1 0 FKAFMO CC[C@H]1[C@H](C)CC[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040690431 208264189 /nfs/dbraw/zinc/26/41/89/208264189.db2.gz GBDVUTUHHVNACT-ODJGSJHLSA-N 1 1 367.577 5.436 1 0 FKAFMO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@]2(CC[C@@H]1C)CC[N@H+]3CC1CCC1 ZINC000040690433 208262739 /nfs/dbraw/zinc/26/27/39/208262739.db2.gz GBDVUTUHHVNACT-OUZCYRFOSA-N 1 1 367.577 5.436 1 0 FKAFMO CC[C@H]1[C@H](C)CC[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040690435 208263125 /nfs/dbraw/zinc/26/31/25/208263125.db2.gz GBDVUTUHHVNACT-PHRSOMKHSA-N 1 1 367.577 5.436 1 0 FKAFMO CC[C@H]1[C@H](C)CC[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040701175 208263814 /nfs/dbraw/zinc/26/38/14/208263814.db2.gz LOXDVVJBFLMGGL-QLEPVXASSA-N 1 1 353.550 5.133 1 0 FKAFMO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CC[C@@H]1C)CC[N@H+]3CC1CCC1 ZINC000040701177 205076678 /nfs/dbraw/zinc/07/66/78/205076678.db2.gz LOXDVVJBFLMGGL-AZRGUKFXSA-N 1 1 353.550 5.133 1 0 FKAFMO CC[C@H]1[C@H](C)CC[C@]23CC[N@@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040701179 205076721 /nfs/dbraw/zinc/07/67/21/205076721.db2.gz LOXDVVJBFLMGGL-SBWAFVPDSA-N 1 1 353.550 5.133 1 0 FKAFMO Cc1[nH+]c2c(NCc3c(C)cccc3C)cc(-c3ccccn3)cn2c1C ZINC000040829026 581091296 /nfs/dbraw/zinc/09/12/96/581091296.db2.gz CGEKXOQYPSFQKH-UHFFFAOYSA-N 1 1 356.473 5.242 1 0 FKAFMO CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CC[N@H+](CC=C(C)C)[C@H]12 ZINC000040845198 208270770 /nfs/dbraw/zinc/27/07/70/208270770.db2.gz QXNSFPSGHIXUGR-JWQCQUIFSA-N 1 1 364.577 6.065 1 0 FKAFMO CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CC[N@@H+](CC=C(C)C)[C@H]12 ZINC000040845198 208270766 /nfs/dbraw/zinc/27/07/66/208270766.db2.gz QXNSFPSGHIXUGR-JWQCQUIFSA-N 1 1 364.577 6.065 1 0 FKAFMO O=C1CC[C@@H]([N@@H+](Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 ZINC000040876864 205083692 /nfs/dbraw/zinc/08/36/92/205083692.db2.gz CXEISEMDSGMVHN-RUZDIDTESA-N 1 1 369.508 6.302 1 0 FKAFMO O=C1CC[C@H]([N@@H+](Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 ZINC000040876866 208272281 /nfs/dbraw/zinc/27/22/81/208272281.db2.gz CXEISEMDSGMVHN-VWLOTQADSA-N 1 1 369.508 6.302 1 0 FKAFMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040878130 208272343 /nfs/dbraw/zinc/27/23/43/208272343.db2.gz IWOBORNYYLIANT-YIONKMFJSA-N 1 1 362.300 5.071 1 0 FKAFMO Oc1c(F)cc(C[NH2+]CCC=C(c2ccccc2)c2ccccc2)cc1F ZINC000040915354 205085569 /nfs/dbraw/zinc/08/55/69/205085569.db2.gz NGZXGBBRTGEYNW-UHFFFAOYSA-N 1 1 365.423 5.282 1 0 FKAFMO O=C1c2ccccc2CC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000045189105 208327446 /nfs/dbraw/zinc/32/74/46/208327446.db2.gz DJIOHAKTOGKYTN-FQEVSTJZSA-N 1 1 370.496 5.092 1 0 FKAFMO COc1cc(Nc2cc[nH+]c3ccc(C(C)(C)C)cc23)cc(OC)c1OC ZINC000045189636 205117451 /nfs/dbraw/zinc/11/74/51/205117451.db2.gz FPWOHBGDJPLADA-UHFFFAOYSA-N 1 1 366.461 5.302 1 0 FKAFMO C[N@H+]1CCCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1 ZINC000045191127 205117029 /nfs/dbraw/zinc/11/70/29/205117029.db2.gz RBETUVSLZGJPDW-UHFFFAOYSA-N 1 1 364.276 5.015 1 0 FKAFMO Cc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000045192118 208326755 /nfs/dbraw/zinc/32/67/55/208326755.db2.gz JGFUFQSXEHUHTN-UHFFFAOYSA-N 1 1 361.485 5.087 1 0 FKAFMO Cc1cccc2nc(-c3cccc(-c4cccc(C[NH2+]C(C)C)c4)c3)[nH]c21 ZINC000045193162 208327802 /nfs/dbraw/zinc/32/78/02/208327802.db2.gz BQTFBWWLNLOTNB-UHFFFAOYSA-N 1 1 355.485 5.703 1 0 FKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(C[NH2+]CC(C)C)cc4)cc3)[nH]c21 ZINC000045201322 205117972 /nfs/dbraw/zinc/11/79/72/205117972.db2.gz ATGPWJDPLMQUGE-UHFFFAOYSA-N 1 1 369.512 5.951 1 0 FKAFMO Oc1cccc(Nc2cc[nH+]c3cc(-c4cc5ccccc5o4)ccc23)c1 ZINC000045201802 208328136 /nfs/dbraw/zinc/32/81/36/208328136.db2.gz ZCNLZEITJWQHKC-UHFFFAOYSA-N 1 1 352.393 6.097 1 0 FKAFMO CC(C)[NH2+]Cc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045202500 205117228 /nfs/dbraw/zinc/11/72/28/205117228.db2.gz XNVVVCWHNQBIAY-UHFFFAOYSA-N 1 1 359.448 5.534 1 0 FKAFMO Cc1cccc2nc(-c3ccc(-c4ccc(C[NH2+]C(C)C)cc4)cc3)[nH]c21 ZINC000045227573 205119240 /nfs/dbraw/zinc/11/92/40/205119240.db2.gz UTRYHXKVUVLYCQ-UHFFFAOYSA-N 1 1 355.485 5.703 1 0 FKAFMO FC(F)(F)c1cccc(-c2nc3c(s2)C[N@H+](C2CCCC2)CC3)c1 ZINC000045289285 205118675 /nfs/dbraw/zinc/11/86/75/205118675.db2.gz CURFELRMJIZYRA-UHFFFAOYSA-N 1 1 352.425 5.130 1 0 FKAFMO O=C1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000045300232 205119526 /nfs/dbraw/zinc/11/95/26/205119526.db2.gz AAEFZAOPNBNCRL-RCZVLFRGSA-N 1 1 367.492 5.374 1 0 FKAFMO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000045317053 205120274 /nfs/dbraw/zinc/12/02/74/205120274.db2.gz VRVCXHIFTPXAPT-HUUCEWRRSA-N 1 1 359.395 5.303 1 0 FKAFMO CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cc[nH+]c1C ZINC000045366176 205121176 /nfs/dbraw/zinc/12/11/76/205121176.db2.gz CGMPVPXRJZJNIB-IAGOWNOFSA-N 1 1 352.931 5.653 1 0 FKAFMO CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1c[nH+]c(C)c1C ZINC000045366473 205121679 /nfs/dbraw/zinc/12/16/79/205121679.db2.gz AWDICAUUCMTSSA-QZTJIDSGSA-N 1 1 366.958 5.961 1 0 FKAFMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000045389761 208333217 /nfs/dbraw/zinc/33/32/17/208333217.db2.gz XTBKEWVKERJCMK-RUZDIDTESA-N 1 1 352.481 5.624 1 0 FKAFMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccccc2)cc1 ZINC000045389761 208333211 /nfs/dbraw/zinc/33/32/11/208333211.db2.gz XTBKEWVKERJCMK-RUZDIDTESA-N 1 1 352.481 5.624 1 0 FKAFMO Fc1ccc2[nH]cc(C3=CC[N@@H+](CCc4coc5ccccc45)CC3)c2c1 ZINC000045390935 205121027 /nfs/dbraw/zinc/12/10/27/205121027.db2.gz UQJKOGAIEZXISJ-UHFFFAOYSA-N 1 1 360.432 5.385 1 0 FKAFMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 ZINC000045392160 208332778 /nfs/dbraw/zinc/33/27/78/208332778.db2.gz HMYMSZLQKFXEMI-CBQGHPETSA-N 1 1 359.513 5.680 1 0 FKAFMO CC(C)[N@@H+](CCC(=O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1 ZINC000045393781 205121891 /nfs/dbraw/zinc/12/18/91/205121891.db2.gz QCZRAUBLGSITLN-UHFFFAOYSA-N 1 1 373.496 5.962 1 0 FKAFMO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(OC(F)(F)F)ccc21 ZINC000049051392 221017605 /nfs/dbraw/zinc/01/76/05/221017605.db2.gz VXRYQXITUHHEHO-CQSZACIVSA-N 1 1 369.431 5.056 1 0 FKAFMO CCC(=O)Nc1ccc2[nH+]ccc(Nc3cccc(Br)c3)c2c1 ZINC000049070873 221018939 /nfs/dbraw/zinc/01/89/39/221018939.db2.gz UATWOAYHIISFBR-UHFFFAOYSA-N 1 1 370.250 5.089 1 0 FKAFMO CC[N@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1C ZINC000049071724 221019187 /nfs/dbraw/zinc/01/91/87/221019187.db2.gz ASPRKFLJNYTNON-INIZCTEOSA-N 1 1 361.464 5.380 1 0 FKAFMO CC(C)[N@@H+]1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000049124825 221018948 /nfs/dbraw/zinc/01/89/48/221018948.db2.gz FFAVDJZKSDDAOW-UHFFFAOYSA-N 1 1 361.464 5.380 1 0 FKAFMO C[N@@H+](CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1 ZINC000053021947 536334284 /nfs/dbraw/zinc/33/42/84/536334284.db2.gz QUBIIFLNSZKWIJ-UHFFFAOYSA-N 1 1 374.553 6.202 1 0 FKAFMO OCCc1ccc(Nc2cc[nH+]c3ccc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000058502031 221120941 /nfs/dbraw/zinc/12/09/41/221120941.db2.gz AMPFDJPYAXBAGV-UHFFFAOYSA-N 1 1 374.871 5.834 1 0 FKAFMO Cc1ccc(-c2ccc3[nH+]ccc(Nc4cc(Cl)ccc4O)c3c2)cc1 ZINC000058520070 212011949 /nfs/dbraw/zinc/01/19/49/212011949.db2.gz PXNPRPSSJLMRRN-UHFFFAOYSA-N 1 1 360.844 6.313 1 0 FKAFMO CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CC[N@H+](CC=C(C)C)[C@@H]12 ZINC000058528551 221120267 /nfs/dbraw/zinc/12/02/67/221120267.db2.gz QXNSFPSGHIXUGR-LOSJGSFVSA-N 1 1 364.577 6.065 1 0 FKAFMO CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CC[N@@H+](CC=C(C)C)[C@@H]12 ZINC000058528551 221120264 /nfs/dbraw/zinc/12/02/64/221120264.db2.gz QXNSFPSGHIXUGR-LOSJGSFVSA-N 1 1 364.577 6.065 1 0 FKAFMO CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@H]2CC[N@@H+]1Cc1ccccc1 ZINC000061924189 212027959 /nfs/dbraw/zinc/02/79/59/212027959.db2.gz VUVVUBCWFOOBRD-YKSBVNFPSA-N 1 1 362.517 5.274 1 0 FKAFMO Clc1cccc(C[N@H+]2CC[C@H]3C[C@@H]2c2cc(N4CCCCC4)ccc23)c1 ZINC000061942430 136132569 /nfs/dbraw/zinc/13/25/69/136132569.db2.gz KZJJRDZSSLUTQV-FDDCHVKYSA-N 1 1 366.936 5.765 1 0 FKAFMO COc1ccc(C[N@H+]2CC[C@H]3C[C@@H]2c2cc(-c4cccc(C)c4)ccc23)cc1 ZINC000061943040 212027808 /nfs/dbraw/zinc/02/78/08/212027808.db2.gz JAFOOEBCAFRBFR-BKMJKUGQSA-N 1 1 369.508 6.105 1 0 FKAFMO Fc1ccc(-c2[nH]cc(C3=CC[N@H+]4CCC[C@H]4C3)c2-c2ccncc2)cc1 ZINC000064311294 221145994 /nfs/dbraw/zinc/14/59/94/221145994.db2.gz OSLWXIZAFXKEFT-FQEVSTJZSA-N 1 1 359.448 5.134 1 0 FKAFMO Clc1ccc(CN[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000066100619 221241673 /nfs/dbraw/zinc/24/16/73/221241673.db2.gz FQHCMJGVOMGZJD-BGYRXZFFSA-N 1 1 363.332 5.184 1 0 FKAFMO CCCOC(=O)Nc1cc2[nH]c(C3CCCCC3)[nH+]c2cc1N(CC)CC ZINC000066112748 205363677 /nfs/dbraw/zinc/36/36/77/205363677.db2.gz POAUDUUVRRBSRI-UHFFFAOYSA-N 1 1 372.513 5.415 1 0 FKAFMO CC(=O)[C@@H]1CC[C@H]2CC[C@@H]1[N@H+]2CCC=C(c1ccccc1)c1ccccc1 ZINC000066165914 221243086 /nfs/dbraw/zinc/24/30/86/221243086.db2.gz WRSAFOGQFQCOPC-LSQMVHIFSA-N 1 1 359.513 5.340 1 0 FKAFMO CC[N@H+]1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 ZINC000066252661 221243301 /nfs/dbraw/zinc/24/33/01/221243301.db2.gz HSUSOKSRYOCAIB-UHFFFAOYSA-N 1 1 350.893 5.235 1 0 FKAFMO Cc1[nH+]ccn1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000066259564 205366097 /nfs/dbraw/zinc/36/60/97/205366097.db2.gz HSGJOWAKEABYHO-IBGZPJMESA-N 1 1 360.379 5.421 1 0 FKAFMO Cc1[nH+]ccn1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000066259565 205365855 /nfs/dbraw/zinc/36/58/55/205365855.db2.gz HSGJOWAKEABYHO-LJQANCHMSA-N 1 1 360.379 5.421 1 0 FKAFMO CC(C)[N@H+]1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 ZINC000066259986 221243546 /nfs/dbraw/zinc/24/35/46/221243546.db2.gz MLWONAXYSDGFLC-UHFFFAOYSA-N 1 1 364.920 5.623 1 0 FKAFMO c1ccc(C(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000071295846 221341533 /nfs/dbraw/zinc/34/15/33/221341533.db2.gz QRKFWYLBWNOMIM-FCHUYYIVSA-N 1 1 351.559 5.774 1 0 FKAFMO CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072122966 221409648 /nfs/dbraw/zinc/40/96/48/221409648.db2.gz DHUUHEYALVQGSS-JOCHJYFZSA-N 1 1 367.924 5.281 1 0 FKAFMO CC[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000072183878 208824932 /nfs/dbraw/zinc/82/49/32/208824932.db2.gz PHOAUSZZROPKLL-SFHVURJKSA-N 1 1 371.278 5.345 1 0 FKAFMO CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3[N@H+]3CC36CCCC6)[C@]4(C)[C@@]25CC1 ZINC000085548254 291087203 /nfs/dbraw/zinc/08/72/03/291087203.db2.gz YEIBEVVNVXLGGP-OMSBISQBSA-N 1 1 363.589 6.256 1 0 biogenic,in-vitro FKAFMO CC1=C2C[C@]3(C[N@H+]4C[C@]45CCCC54CCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548262 291087177 /nfs/dbraw/zinc/08/71/77/291087177.db2.gz WXPVGYXKHDXKPM-IBOMKHEGSA-N 1 1 367.621 6.728 1 0 biogenic,in-vitro FKAFMO CC1=C2C[C@]3(C[N@H+]4C[C@@]45CC[C@H](CCCO)C5)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548269 291087169 /nfs/dbraw/zinc/08/71/69/291087169.db2.gz WGPUEWMIWBAADN-SBMSYECRSA-N 1 1 371.609 5.556 1 0 biogenic,in-vitro FKAFMO C[N@@H+](Cc1ccc(I)cc1)CC1=CCCCCCC1 ZINC000095563444 205789058 /nfs/dbraw/zinc/78/90/58/205789058.db2.gz MEBVDVKSUCNCRJ-UHFFFAOYSA-N 1 1 369.290 5.004 1 0 FKAFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000096930044 222142414 /nfs/dbraw/zinc/14/24/14/222142414.db2.gz NPCGCCKRSLASPG-OAHLLOKOSA-N 1 1 359.391 5.931 1 0 FKAFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000096930046 209163136 /nfs/dbraw/zinc/16/31/36/209163136.db2.gz NGKGDAJLTDWAHS-HXUWFJFHSA-N 1 1 351.493 6.700 1 0 FKAFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccccc1Br ZINC000096930048 209163121 /nfs/dbraw/zinc/16/31/21/209163121.db2.gz JBDUFWKYBYZVGJ-OAHLLOKOSA-N 1 1 354.291 5.795 1 0 FKAFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1cccc(Br)c1 ZINC000096930051 209162480 /nfs/dbraw/zinc/16/24/80/209162480.db2.gz CEFBDZIOKWAKRJ-OAHLLOKOSA-N 1 1 354.291 5.795 1 0 FKAFMO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000096930055 222142779 /nfs/dbraw/zinc/14/27/79/222142779.db2.gz WXCGLKJLEYYBFB-HXUWFJFHSA-N 1 1 359.557 6.947 1 0 FKAFMO CCCC[C@@H](CC)C[N@H+]1CN2CN(C[C@@H](CC)CCCC)CC2(C)C1 ZINC000100379673 222243037 /nfs/dbraw/zinc/24/30/37/222243037.db2.gz MSJBLPVXRJMJSY-CBQGHPETSA-N 1 1 351.623 5.026 1 0 in-man FKAFMO CCCC[C@@H](CC)CN1CN2C[N@@H+](C[C@@H](CC)CCCC)CC2(C)C1 ZINC000100379673 222243032 /nfs/dbraw/zinc/24/30/32/222243032.db2.gz MSJBLPVXRJMJSY-CBQGHPETSA-N 1 1 351.623 5.026 1 0 in-man FKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 ZINC000100834453 209218724 /nfs/dbraw/zinc/21/87/24/209218724.db2.gz ISSICWWQXUMDRL-IVAOSVALSA-N 1 1 359.872 5.210 1 0 FKAFMO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(O)cc2)CC1 ZINC000101107529 209222152 /nfs/dbraw/zinc/22/21/52/209222152.db2.gz UZYWNMNHDXLFCZ-GLRZTSSQSA-N 1 1 373.500 5.022 1 0 FKAFMO Cc1ccc(-c2[nH]nc3c2Cc2cc(C[NH2+][C@H]4CC[C@H](C)CC4)ccc2-3)cc1 ZINC000101115321 222262437 /nfs/dbraw/zinc/26/24/37/222262437.db2.gz GXUAMVYPUMPBMN-UEDWGHLCSA-N 1 1 371.528 5.625 1 0 FKAFMO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccccc2)CC1 ZINC000101115327 222262095 /nfs/dbraw/zinc/26/20/95/222262095.db2.gz LQDUMEQZHKIAQN-MOBUCQHHSA-N 1 1 357.501 5.316 1 0 FKAFMO O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccccc12 ZINC000101185316 209221862 /nfs/dbraw/zinc/22/18/62/209221862.db2.gz CNNRPXDUHKLPGW-NGRWLJPCSA-N 1 1 367.876 5.101 1 0 FKAFMO CC[NH2+]Cc1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000103261370 222328715 /nfs/dbraw/zinc/32/87/15/222328715.db2.gz SHQNSNOQZLYJOO-UHFFFAOYSA-N 1 1 351.881 5.023 1 0 FKAFMO c1c(C[N@@H+]2CC=C(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1 ZINC000103265618 222330962 /nfs/dbraw/zinc/33/09/62/222330962.db2.gz DAQKAFDCAWFAKG-UHFFFAOYSA-N 1 1 364.492 5.920 1 0 FKAFMO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 ZINC000103272450 205991058 /nfs/dbraw/zinc/99/10/58/205991058.db2.gz WGLCKRKVHNBWOJ-FYZMTGAWSA-N 1 1 371.609 5.282 1 0 FKAFMO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 ZINC000103272452 222331044 /nfs/dbraw/zinc/33/10/44/222331044.db2.gz WGLCKRKVHNBWOJ-LYTPWFCKSA-N 1 1 371.609 5.282 1 0 FKAFMO CN(C)CC[N@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 ZINC000103301415 222333910 /nfs/dbraw/zinc/33/39/10/222333910.db2.gz YWQQAWCNLAEXCI-PLQXJYEYSA-N 1 1 364.577 5.037 1 0 FKAFMO C[N@@H+](Cc1ccc(I)cc1)C/C1=C\CCCCCC1 ZINC000169292097 206248876 /nfs/dbraw/zinc/24/88/76/206248876.db2.gz MEBVDVKSUCNCRJ-CHHVJCJISA-N 1 1 369.290 5.004 1 0 FKAFMO O=C1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000169303758 209516096 /nfs/dbraw/zinc/51/60/96/209516096.db2.gz AAEFZAOPNBNCRL-RDGATRHJSA-N 1 1 367.492 5.374 1 0 FKAFMO c1ccc(C[C@H](c2ccccc2)[NH+]2CCN(C3CCCCCC3)CC2)cc1 ZINC000169317939 203876391 /nfs/dbraw/zinc/87/63/91/203876391.db2.gz OOXAMAXYPASGNA-RUZDIDTESA-N 1 1 362.561 5.311 1 0 FKAFMO CC(C)(C)[C@@]1(O)CC[N@H+]2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@@H]2C1 ZINC000169337523 206252177 /nfs/dbraw/zinc/25/21/77/206252177.db2.gz QALOPIQRQWRCTP-WSUBETFTSA-N 1 1 361.529 5.311 1 0 FKAFMO CC[N@H+]1[C@@H](CC[C@@H]2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@@H]32)CCC1(C)C ZINC000169347346 206254105 /nfs/dbraw/zinc/25/41/05/206254105.db2.gz JMUXXPVTXZBUDS-GCOKGBOCSA-N 1 1 361.570 5.034 1 0 FKAFMO Cc1ccc2c(c1)n(CCCOc1ccc(Cl)cc1)c1c2C[N@@H+](C)CC1 ZINC000169350492 206253778 /nfs/dbraw/zinc/25/37/78/206253778.db2.gz MMSLNCVBNIPRAI-UHFFFAOYSA-N 1 1 368.908 5.060 1 0 FKAFMO Cc1ccc2c(c1)n(CCCOc1ccc(Cl)cc1)c1c2C[N@H+](C)CC1 ZINC000169350492 206253774 /nfs/dbraw/zinc/25/37/74/206253774.db2.gz MMSLNCVBNIPRAI-UHFFFAOYSA-N 1 1 368.908 5.060 1 0 FKAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](c1nc3ccccc3s1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000169371810 206254515 /nfs/dbraw/zinc/25/45/15/206254515.db2.gz VNCQCMIYVRPIMZ-HBXLWWENSA-N 1 1 368.933 5.684 1 0 FKAFMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)c1ccccc1 ZINC000255976058 223000680 /nfs/dbraw/zinc/00/06/80/223000680.db2.gz HEXUVKQFPIUPML-QSWKYWCCSA-N 1 1 371.524 5.574 1 0 FKAFMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccccc1 ZINC000255976059 210218494 /nfs/dbraw/zinc/21/84/94/210218494.db2.gz HEXUVKQFPIUPML-TYNUAKKSSA-N 1 1 371.524 5.574 1 0 FKAFMO C[N@H+]1C[C@@H]2[C@@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679902 207240116 /nfs/dbraw/zinc/24/01/16/207240116.db2.gz GCILWQXCVMXYDE-CAOORNBYSA-N 1 1 365.520 5.805 3 0 FKAFMO C[N@H+]1C[C@@H]2[C@@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008690100 204338961 /nfs/dbraw/zinc/33/89/61/204338961.db2.gz UKSLWRALKJDMKI-MUUWIZIASA-N 1 1 366.508 5.200 3 0 FKAFMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(C)s2)oc1C ZINC000013593626 220076950 /nfs/dbraw/zinc/07/69/50/220076950.db2.gz WOZVHZFFMRRFAK-SFHVURJKSA-N 1 1 368.502 5.366 3 0 FKAFMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(C)s2)oc1C ZINC000013593626 220076947 /nfs/dbraw/zinc/07/69/47/220076947.db2.gz WOZVHZFFMRRFAK-SFHVURJKSA-N 1 1 368.502 5.366 3 0 FKAFMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(C)s2)oc1C ZINC000013593629 220076902 /nfs/dbraw/zinc/07/69/02/220076902.db2.gz WOZVHZFFMRRFAK-GOSISDBHSA-N 1 1 368.502 5.366 3 0 FKAFMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(C)s2)oc1C ZINC000013593629 220076899 /nfs/dbraw/zinc/07/68/99/220076899.db2.gz WOZVHZFFMRRFAK-GOSISDBHSA-N 1 1 368.502 5.366 3 0 FKAFMO C[N@H+]1C[C@@H]2[C@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812894 220095375 /nfs/dbraw/zinc/09/53/75/220095375.db2.gz GCILWQXCVMXYDE-ILQJIGPNSA-N 1 1 365.520 5.805 3 0 FKAFMO C[N@H+]1C[C@@H]2[C@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812975 220095583 /nfs/dbraw/zinc/09/55/83/220095583.db2.gz UKSLWRALKJDMKI-WIPBBCIJSA-N 1 1 366.508 5.200 3 0 FKAFMO CC(=O)c1ccc(O[C@]2(C)CC[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000061902703 212026162 /nfs/dbraw/zinc/02/61/62/212026162.db2.gz AJHUMSXXWNOSEE-XMMPIXPASA-N 1 1 359.469 5.086 3 0 FKAFMO CCCCNC(=O)[C@@]1(C)CCCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC000061905303 221137286 /nfs/dbraw/zinc/13/72/86/221137286.db2.gz PVDVAAVHEIHLJO-XMMPIXPASA-N 1 1 364.533 5.015 3 0 FKAFMO [NH3+][C@@H](c1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)c(F)c1 ZINC000061906240 212026894 /nfs/dbraw/zinc/02/68/94/212026894.db2.gz YJPJVTRKGCGDJX-LJQANCHMSA-N 1 1 352.409 5.290 3 0 FKAFMO [NH3+][C@H](c1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)c(F)c1 ZINC000061906241 221137203 /nfs/dbraw/zinc/13/72/03/221137203.db2.gz YJPJVTRKGCGDJX-IBGZPJMESA-N 1 1 352.409 5.290 3 0 FKAFMO CSc1ccc(O[C@]2(C)CC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000061906937 221136636 /nfs/dbraw/zinc/13/66/36/221136636.db2.gz YDATWSJWHAYKPR-OAQYLSRUSA-N 1 1 353.487 5.198 3 0 FKAFMO COc1ccc(C[N@H+]2CC[C@](C)(Oc3cccc(F)c3)C2)c2ccccc12 ZINC000061926610 212028209 /nfs/dbraw/zinc/02/82/09/212028209.db2.gz UMNDBDNXPSFPNZ-QHCPKHFHSA-N 1 1 365.448 5.031 3 0 FKAFMO COc1ccc(C[N@H+]2CC[C@@](C)(Oc3cccc(F)c3)C2)c2ccccc12 ZINC000061926611 221136889 /nfs/dbraw/zinc/13/68/89/221136889.db2.gz UMNDBDNXPSFPNZ-HSZRJFAPSA-N 1 1 365.448 5.031 3 0 FKAFMO CC(=O)c1ccc(O[C@]2(C)CC[N@@H+](Cc3csc4ccccc34)C2)cc1 ZINC000061929156 205289587 /nfs/dbraw/zinc/28/95/87/205289587.db2.gz ADFAZDYJGVMZSA-JOCHJYFZSA-N 1 1 365.498 5.147 3 0 FKAFMO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccccc1 ZINC000095568338 209080326 /nfs/dbraw/zinc/08/03/26/209080326.db2.gz GOGIGBZOEFMTAL-DEOSSOPVSA-N 1 1 372.512 5.158 3 0 FKAFMO