smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cccc2c1NC(=O)[C@@]21[N@H+](C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072744 205168143 /nfs/dbraw/zinc/16/81/43/205168143.db2.gz IDDVCBDDELSDJR-OALUTQOASA-N 1 2 356.426 2.236 1 0 FEAFLO CC(C)c1cccc2c1NC(=O)[C@@]21[N@@H+](C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072744 205168145 /nfs/dbraw/zinc/16/81/45/205168145.db2.gz IDDVCBDDELSDJR-OALUTQOASA-N 1 2 356.426 2.236 1 0 FEAFLO C[C@@H]1CC[C@H]2C(=O)NC[C@H](O)C[N@@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585521 204334640 /nfs/dbraw/zinc/33/46/40/204334640.db2.gz CBJAXLVQLSPOSC-KJEVXHAQSA-N 1 2 353.260 2.081 1 0 FEAFLO C[C@@H]1CC[C@H]2C(=O)NC[C@H](O)C[N@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585521 204334644 /nfs/dbraw/zinc/33/46/44/204334644.db2.gz CBJAXLVQLSPOSC-KJEVXHAQSA-N 1 2 353.260 2.081 1 0 FEAFLO Cc1cc(NC(=O)C[NH+]2CCC(n3nnc4cc(C)ccc43)CC2)no1 ZINC000004375572 204135318 /nfs/dbraw/zinc/13/53/18/204135318.db2.gz IBPRWNSCIHQZEP-UHFFFAOYSA-N 1 2 354.414 2.312 3 0 FEAFLO Cn1c[nH+]c(C[S@](=O)Cc2ccc(I)cc2)c1 ZINC000045300393 205120669 /nfs/dbraw/zinc/12/06/69/205120669.db2.gz RDXRQOPUWORMDX-KRWDZBQOSA-N 1 2 360.220 2.474 1 0 FEAFLO OC[C@@H]1C[NH2+]C[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc21 ZINC000059288690 205280705 /nfs/dbraw/zinc/28/07/05/205280705.db2.gz PRGPPWCWSUEOIJ-MEDUHNTESA-N 1 2 354.385 2.134 1 0 FEAFLO COCCS(=O)(=O)N1CCc2c([nH+]c(CC(C)(C)C)n2CC2CC2)C1 ZINC000043078768 205101267 /nfs/dbraw/zinc/10/12/67/205101267.db2.gz WHFDUZQMHSPVLQ-UHFFFAOYSA-N 1 2 369.531 2.216 1 0 FEAFLO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccsc1 ZINC000028878983 204890780 /nfs/dbraw/zinc/89/07/80/204890780.db2.gz VDWLDXRYAOLMPJ-UHFFFAOYSA-N 1 2 370.478 2.458 1 0 FEAFLO C[NH2+]C[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)C1 ZINC000005835652 204227035 /nfs/dbraw/zinc/22/70/35/204227035.db2.gz ZHNUOESGVCOELD-GFCCVEGCSA-N 1 2 361.417 2.465 1 0 FEAFLO CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(C)([NH3+])C3)c(F)c21 ZINC000038798466 205042546 /nfs/dbraw/zinc/04/25/46/205042546.db2.gz XPVFEFPKUFRYPJ-UHFFFAOYSA-N 1 2 365.380 2.270 1 0 FEAFLO CC(C)CCn1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000059946947 205283287 /nfs/dbraw/zinc/28/32/87/205283287.db2.gz GNLIJWXOLAWIKS-QGZVFWFLSA-N 1 2 356.474 2.006 3 0 FEAFLO C[C@@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000102335396 132234850 /nfs/dbraw/zinc/23/48/50/132234850.db2.gz SBBJIOXCFKOSDL-JYJNAYRXSA-N 1 2 365.905 2.486 1 0 FEAFLO COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000100772908 571817090 /nfs/dbraw/zinc/81/70/90/571817090.db2.gz DPRSKEMBOBQDJV-BJLQDIEVSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000100772908 571817095 /nfs/dbraw/zinc/81/70/95/571817095.db2.gz DPRSKEMBOBQDJV-BJLQDIEVSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO C[NH+](C)C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103284826 209252338 /nfs/dbraw/zinc/25/23/38/209252338.db2.gz AJMHCOJNYWOETP-CYBMUJFWSA-N 1 2 355.438 2.423 1 0 FEAFLO CC[NH2+]C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282742 209251940 /nfs/dbraw/zinc/25/19/40/209251940.db2.gz YFCDAUMMCVCLEJ-ZDUSSCGKSA-N 1 2 355.438 2.470 1 0 FEAFLO CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@@H]3C[NH2+]4)cc21 ZINC000005834284 207118390 /nfs/dbraw/zinc/11/83/90/207118390.db2.gz RYQSZLBAAXBMHA-GHMZBOCLSA-N 1 2 359.401 2.144 1 0 FEAFLO CCSc1cc(O)c2c(=O)cc(O)c([C@H]3CC[N@H+](C)C[C@@H]3O)c-2o1 ZINC000012354904 207365864 /nfs/dbraw/zinc/36/58/64/207365864.db2.gz MXQMYWXBECXGHZ-ZANVPECISA-N 1 2 351.424 2.096 1 0 FEAFLO CCSc1cc(O)c2c(=O)cc(O)c([C@H]3CC[N@@H+](C)C[C@@H]3O)c-2o1 ZINC000012354904 207365870 /nfs/dbraw/zinc/36/58/70/207365870.db2.gz MXQMYWXBECXGHZ-ZANVPECISA-N 1 2 351.424 2.096 1 0 FEAFLO CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)[N@@H+]2Cc1ccccn1 ZINC000095570707 132215486 /nfs/dbraw/zinc/21/54/86/132215486.db2.gz VLZSOFFJGXHIAQ-SLFFLAALSA-N 1 2 366.465 2.349 1 0 FEAFLO CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)[N@H+]2Cc1ccccn1 ZINC000095570707 132215488 /nfs/dbraw/zinc/21/54/88/132215488.db2.gz VLZSOFFJGXHIAQ-SLFFLAALSA-N 1 2 366.465 2.349 1 0 FEAFLO C[NH2+]C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 ZINC000103282387 209251306 /nfs/dbraw/zinc/25/13/06/209251306.db2.gz DZBWAQRFBKKIDF-CYBMUJFWSA-N 1 2 355.438 2.470 1 0 FEAFLO C[C@H]1CC[C@@H]2C(=O)NC[C@H](O)C[N@@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585520 207237630 /nfs/dbraw/zinc/23/76/30/207237630.db2.gz CBJAXLVQLSPOSC-HPEDKQMDSA-N 1 2 353.260 2.081 1 0 FEAFLO C[C@H]1CC[C@@H]2C(=O)NC[C@H](O)C[N@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585520 207237636 /nfs/dbraw/zinc/23/76/36/207237636.db2.gz CBJAXLVQLSPOSC-HPEDKQMDSA-N 1 2 353.260 2.081 1 0 FEAFLO CCSc1cc(O)c2c(=O)cc(O)c([C@@H]3CC[N@H+](C)C[C@@H]3O)c-2o1 ZINC000012354901 207365268 /nfs/dbraw/zinc/36/52/68/207365268.db2.gz MXQMYWXBECXGHZ-RNCFNFMXSA-N 1 2 351.424 2.096 1 0 FEAFLO CCSc1cc(O)c2c(=O)cc(O)c([C@@H]3CC[N@@H+](C)C[C@@H]3O)c-2o1 ZINC000012354901 207365273 /nfs/dbraw/zinc/36/52/73/207365273.db2.gz MXQMYWXBECXGHZ-RNCFNFMXSA-N 1 2 351.424 2.096 1 0 FEAFLO CN(C(=O)C[N@H+](C)CCO)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001846108 210372887 /nfs/dbraw/zinc/37/28/87/210372887.db2.gz PGOZOAJPDMEYFX-UHFFFAOYSA-N 1 2 360.841 2.458 1 0 in-man FEAFLO CN(C(=O)C[N@@H+](C)CCO)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001846108 210372893 /nfs/dbraw/zinc/37/28/93/210372893.db2.gz PGOZOAJPDMEYFX-UHFFFAOYSA-N 1 2 360.841 2.458 1 0 in-man FEAFLO Cc1cccc2cc3c(nc12)SC(=NCC[NH+]1CCOCC1)NN=C3 ZINC000098081989 222226712 /nfs/dbraw/zinc/22/67/12/222226712.db2.gz LXBIAWRYHZNSRU-UHFFFAOYSA-N 1 2 355.467 2.261 1 0 FEAFLO Cc1c(N2C[C@@H](C)[NH2+][C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049804028 136123972 /nfs/dbraw/zinc/12/39/72/136123972.db2.gz CBANIYKPNRKAQE-GHMZBOCLSA-N 1 2 370.453 2.112 1 0 FEAFLO CC(C)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([NH3+])C3)cc21 ZINC000003787364 210228990 /nfs/dbraw/zinc/22/89/90/210228990.db2.gz ICBSTQAYAUXVMT-JTQLQIEISA-N 1 2 365.380 2.081 1 0 FEAFLO O=C1O[C@@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000059311803 212015206 /nfs/dbraw/zinc/01/52/06/212015206.db2.gz CMDPMBCIGKFEHV-DOTOQJQBSA-N 1 2 353.378 2.016 1 0 FEAFLO O=C1O[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000059311803 212015209 /nfs/dbraw/zinc/01/52/09/212015209.db2.gz CMDPMBCIGKFEHV-DOTOQJQBSA-N 1 2 353.378 2.016 1 0 FEAFLO COCC[NH+](CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C ZINC000013864511 211063927 /nfs/dbraw/zinc/06/39/27/211063927.db2.gz ATLKGHGKNJZFIM-QGZVFWFLSA-N 1 2 369.458 2.229 1 0 FEAFLO Cn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=[NH2+])OCC3(F)F)c2)n1 ZINC000095604129 221968914 /nfs/dbraw/zinc/96/89/14/221968914.db2.gz OTZXLWIDYPQTOQ-OAHLLOKOSA-N 1 2 367.331 2.007 1 0 FEAFLO CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)[N@@H+]2Cc1ccccn1 ZINC000095568214 132215603 /nfs/dbraw/zinc/21/56/03/132215603.db2.gz VLZSOFFJGXHIAQ-AQNXPRMDSA-N 1 2 366.465 2.349 1 0 FEAFLO CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)[N@H+]2Cc1ccccn1 ZINC000095568214 132215604 /nfs/dbraw/zinc/21/56/04/132215604.db2.gz VLZSOFFJGXHIAQ-AQNXPRMDSA-N 1 2 366.465 2.349 1 0 FEAFLO C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)C[NH+](C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000096901731 222136571 /nfs/dbraw/zinc/13/65/71/222136571.db2.gz ZZWKZQDOSJAGGF-WLNFFEQUSA-N 1 2 365.470 2.075 1 0 FEAFLO C[NH2+]C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 ZINC000103282384 222331908 /nfs/dbraw/zinc/33/19/08/222331908.db2.gz DZBWAQRFBKKIDF-ZDUSSCGKSA-N 1 2 355.438 2.470 1 0 FEAFLO CCOC(=O)c1cc(CC)cc(CCn2c[nH+]c3c2NC=NC[C@H]3O)c1 ZINC000013807678 220096022 /nfs/dbraw/zinc/09/60/22/220096022.db2.gz KQKHATZTPALWEH-MRXNPFEDSA-N 1 2 356.426 2.352 1 0 FEAFLO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000103230307 222326556 /nfs/dbraw/zinc/32/65/56/222326556.db2.gz SZWAAHLVYHDYOC-ZHACJKMWSA-N 1 2 360.417 2.352 1 0 FEAFLO COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000015257555 571737933 /nfs/dbraw/zinc/73/79/33/571737933.db2.gz DPRSKEMBOBQDJV-CMKODMSKSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000015257555 571737936 /nfs/dbraw/zinc/73/79/36/571737936.db2.gz DPRSKEMBOBQDJV-CMKODMSKSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO COc1ccc2c(c1)CCc1c(C(=O)NCCCn3cc[nH+]c3)noc1-2 ZINC000002466020 219445596 /nfs/dbraw/zinc/44/55/96/219445596.db2.gz XCFRVASMUIEGJM-UHFFFAOYSA-N 1 2 352.394 2.465 3 0 FEAFLO COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c4c(ccc3[C@H]1[N@H+](C)CC2)OCO4 ZINC000033832591 291051933 /nfs/dbraw/zinc/05/19/33/291051933.db2.gz DPRSKEMBOBQDJV-QWFCFKBJSA-N 1 2 371.389 2.421 1 0 biogenic,in-vitro FEAFLO COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c4c(ccc3[C@H]1[N@@H+](C)CC2)OCO4 ZINC000033832591 291051934 /nfs/dbraw/zinc/05/19/34/291051934.db2.gz DPRSKEMBOBQDJV-QWFCFKBJSA-N 1 2 371.389 2.421 1 0 biogenic,in-vitro FEAFLO CCN1C(=O)C(=C(O)C[C@@H]2[NH2+]CCc3ccccc32)C(=O)N(CC)C1=S ZINC000102676643 222304008 /nfs/dbraw/zinc/30/40/08/222304008.db2.gz AAOKNWAIIJNJIM-AWEZNQCLSA-N 1 2 373.478 2.071 3 0 FEAFLO CCC[C@H](C(=O)Oc1c(OC)cccc1OC)[NH+](CCOC)CCOC ZINC000013864512 220098241 /nfs/dbraw/zinc/09/82/41/220098241.db2.gz HSSNEMFEVTZWNO-OAHLLOKOSA-N 1 2 369.458 2.373 1 0 FEAFLO CC(C)CCn1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000059866390 205282640 /nfs/dbraw/zinc/28/26/40/205282640.db2.gz GJDJTGRUUFVDLF-QGZVFWFLSA-N 1 2 374.464 2.145 3 0 FEAFLO O=S(=O)(CCC[N@@H+]1CCc2cc(O)ccc2[C@H](O)C1)c1ccccc1 ZINC000064573569 205300198 /nfs/dbraw/zinc/30/01/98/205300198.db2.gz ZYYFEHLCIDSZSW-LJQANCHMSA-N 1 2 361.463 2.148 1 0 FEAFLO O=S(=O)(CCC[N@H+]1CCc2cc(O)ccc2[C@H](O)C1)c1ccccc1 ZINC000064573569 205300199 /nfs/dbraw/zinc/30/01/99/205300199.db2.gz ZYYFEHLCIDSZSW-LJQANCHMSA-N 1 2 361.463 2.148 1 0 FEAFLO O=S(=O)(CCC[N@@H+]1CCc2cc(O)ccc2[C@@H](O)C1)c1ccccc1 ZINC000064573572 205300984 /nfs/dbraw/zinc/30/09/84/205300984.db2.gz ZYYFEHLCIDSZSW-IBGZPJMESA-N 1 2 361.463 2.148 1 0 FEAFLO O=S(=O)(CCC[N@H+]1CCc2cc(O)ccc2[C@@H](O)C1)c1ccccc1 ZINC000064573572 205300988 /nfs/dbraw/zinc/30/09/88/205300988.db2.gz ZYYFEHLCIDSZSW-IBGZPJMESA-N 1 2 361.463 2.148 1 0 FEAFLO CC(C)c1cccc2c1NC(=O)[C@]21[N@H+](C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072742 205168178 /nfs/dbraw/zinc/16/81/78/205168178.db2.gz IDDVCBDDELSDJR-RBUKOAKNSA-N 1 2 356.426 2.236 1 0 FEAFLO CC(C)c1cccc2c1NC(=O)[C@]21[N@@H+](C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072742 205168180 /nfs/dbraw/zinc/16/81/80/205168180.db2.gz IDDVCBDDELSDJR-RBUKOAKNSA-N 1 2 356.426 2.236 1 0 FEAFLO CNS(=O)(=O)c1ccc(-c2c[nH+]c(N)c(-c3ccc(OC)nc3)c2)cc1 ZINC000095580391 205791127 /nfs/dbraw/zinc/79/11/27/205791127.db2.gz NIENXNMDVOMRQU-UHFFFAOYSA-N 1 2 370.434 2.310 1 0 FEAFLO CC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)[NH+](CCOC)CCOC ZINC000038141213 205038103 /nfs/dbraw/zinc/03/81/03/205038103.db2.gz GKRFHHRXDUACIN-OAHLLOKOSA-N 1 2 369.458 2.291 1 0 investigational FEAFLO CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](C[NH3+])C3)cc21 ZINC000005834200 204226766 /nfs/dbraw/zinc/22/67/66/204226766.db2.gz AZGBDENTKYNCPV-LLVKDONJSA-N 1 2 361.417 2.379 1 0 FEAFLO CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)N2CC[NH+](C)CC2)O3)c1 ZINC000061907560 205289267 /nfs/dbraw/zinc/28/92/67/205289267.db2.gz RHMOAHPNMQGIPN-IBGZPJMESA-N 1 2 365.433 2.029 3 0 FEAFLO O=C([O-])c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccn2c1=O ZINC000066073596 205362149 /nfs/dbraw/zinc/36/21/49/205362149.db2.gz VNMZNRBOIVEZMV-UHFFFAOYSA-N 1 2 352.394 2.031 1 0 FEAFLO COc1cc2c(cc1O)[C@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000100772909 571817006 /nfs/dbraw/zinc/81/70/06/571817006.db2.gz DPRSKEMBOBQDJV-NSHGMRRFSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO COc1cc2c(cc1O)[C@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000100772909 571817011 /nfs/dbraw/zinc/81/70/11/571817011.db2.gz DPRSKEMBOBQDJV-NSHGMRRFSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO CCc1c(F)c(N2CC[C@H]([NH3+])C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000040503664 205072197 /nfs/dbraw/zinc/07/21/97/205072197.db2.gz LKNVLXARJIDGMB-JTQLQIEISA-N 1 2 359.401 2.274 1 0 FEAFLO C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)C[N@@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585519 204335314 /nfs/dbraw/zinc/33/53/14/204335314.db2.gz CBJAXLVQLSPOSC-KAOXEZKKSA-N 1 2 353.260 2.081 1 0 FEAFLO C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)C[N@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000008585519 204335316 /nfs/dbraw/zinc/33/53/16/204335316.db2.gz CBJAXLVQLSPOSC-KAOXEZKKSA-N 1 2 353.260 2.081 1 0 FEAFLO Cn1c[nH+]c(C[S@@](=O)Cc2ccc(I)cc2)c1 ZINC000045300391 205120144 /nfs/dbraw/zinc/12/01/44/205120144.db2.gz RDXRQOPUWORMDX-QGZVFWFLSA-N 1 2 360.220 2.474 1 0 FEAFLO Nc1nc(Nc2ccc3[nH]nc(I)c3c2)cc[nH+]1 ZINC000045315378 205120441 /nfs/dbraw/zinc/12/04/41/205120441.db2.gz PRGFYUBQSMZPNY-UHFFFAOYSA-N 1 2 352.139 2.283 1 0 FEAFLO COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000085801204 571788599 /nfs/dbraw/zinc/78/85/99/571788599.db2.gz DPRSKEMBOBQDJV-NLWGTHIKSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000085801204 571788601 /nfs/dbraw/zinc/78/86/01/571788601.db2.gz DPRSKEMBOBQDJV-NLWGTHIKSA-N 1 2 371.389 2.421 1 0 endogenous,in-man FEAFLO CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](C[NH3+])C3)cc21 ZINC000005834233 204227334 /nfs/dbraw/zinc/22/73/34/204227334.db2.gz AZGBDENTKYNCPV-NSHDSACASA-N 1 2 361.417 2.379 1 0 FEAFLO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccncc1 ZINC000169325454 206250058 /nfs/dbraw/zinc/25/00/58/206250058.db2.gz JRNYSUTYGMXRFP-UHFFFAOYSA-N 1 2 365.437 2.204 3 0 FEAFLO C[NH+]1CCN(C(=O)c2cc(-n3ccc4ccccc43)c(O)cc2O)CC1 ZINC000169343520 206253127 /nfs/dbraw/zinc/25/31/27/206253127.db2.gz ADPSERRRZONZKD-UHFFFAOYSA-N 1 2 351.406 2.429 1 0 FEAFLO Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000003654768 132385750 /nfs/dbraw/zinc/38/57/50/132385750.db2.gz INPGTPGMMFRHBN-UHFFFAOYSA-N 1 2 362.433 2.054 1 0 FEAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(F)c4)c3c2)CC1 ZINC000064447576 136133188 /nfs/dbraw/zinc/13/31/88/136133188.db2.gz VBHJSCJOUYCRKP-UHFFFAOYSA-N 1 2 374.441 2.287 1 0 FEAFLO O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000095589947 209083377 /nfs/dbraw/zinc/08/33/77/209083377.db2.gz FCNKPQDTPMQTLR-HNNXBMFYSA-N 1 2 361.438 2.037 1 0 FEAFLO CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)[N@@H+]2Cc1ccccn1 ZINC000095567371 132215570 /nfs/dbraw/zinc/21/55/70/132215570.db2.gz VLZSOFFJGXHIAQ-AABGKKOBSA-N 1 2 366.465 2.349 1 0 FEAFLO CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)[N@H+]2Cc1ccccn1 ZINC000095567371 132215572 /nfs/dbraw/zinc/21/55/72/132215572.db2.gz VLZSOFFJGXHIAQ-AABGKKOBSA-N 1 2 366.465 2.349 1 0 FEAFLO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2cc(F)cc(F)c2)CC1 ZINC000169335043 132261645 /nfs/dbraw/zinc/26/16/45/132261645.db2.gz TUVWNSPSSUFMFS-UHFFFAOYSA-N 1 2 371.387 2.383 1 0 FEAFLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000059938782 136132268 /nfs/dbraw/zinc/13/22/68/136132268.db2.gz WHDKLFODOGMKDK-SFHVURJKSA-N 1 2 358.490 2.229 3 0 FEAFLO Cc1cccc(S(=O)(=O)c2n[nH]c3ccc(N4CC[NH+](C)CC4)cc32)c1 ZINC000003820937 132385740 /nfs/dbraw/zinc/38/57/40/132385740.db2.gz HEZHVAQOQZFYKP-UHFFFAOYSA-N 1 2 370.478 2.456 1 0 FEAFLO COc1cc(-c2nn(C(C)C)c3nc[nH+]c(N)c23)ccc1N[C@@H](C)CO ZINC000008581990 207237014 /nfs/dbraw/zinc/23/70/14/207237014.db2.gz KAANTKMOHHINMM-NSHDSACASA-N 1 2 356.430 2.458 1 0 FEAFLO C[C@@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000102326610 132234993 /nfs/dbraw/zinc/23/49/93/132234993.db2.gz QZSPCUHRAOVRIO-JYJNAYRXSA-N 1 2 365.905 2.486 1 0 FEAFLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000059938783 136132242 /nfs/dbraw/zinc/13/22/42/136132242.db2.gz WHDKLFODOGMKDK-GOSISDBHSA-N 1 2 358.490 2.229 3 0 FEAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4F)c3c2)CC1 ZINC000064448686 136133161 /nfs/dbraw/zinc/13/31/61/136133161.db2.gz PGWCUSVMUGTCQQ-UHFFFAOYSA-N 1 2 374.441 2.287 1 0 FEAFLO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC000004356401 207015244 /nfs/dbraw/zinc/01/52/44/207015244.db2.gz LCBBECJDWAWHLF-UHFFFAOYSA-N 1 2 356.474 2.056 3 0 FEAFLO C[NH+](C)C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103284824 209251956 /nfs/dbraw/zinc/25/19/56/209251956.db2.gz AJMHCOJNYWOETP-ZDUSSCGKSA-N 1 2 355.438 2.423 1 0 FEAFLO C[C@@H]1CC[C@H]2C(=O)NC[C@@H](O)C[N@@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000007998486 207216429 /nfs/dbraw/zinc/21/64/29/207216429.db2.gz CBJAXLVQLSPOSC-RABLLNBGSA-N 1 2 353.260 2.081 1 0 FEAFLO C[C@@H]1CC[C@H]2C(=O)NC[C@@H](O)C[N@H+]2[C@@H]1c1ccc(Br)cc1 ZINC000007998486 207216431 /nfs/dbraw/zinc/21/64/31/207216431.db2.gz CBJAXLVQLSPOSC-RABLLNBGSA-N 1 2 353.260 2.081 1 0 FEAFLO C[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057378801 136128871 /nfs/dbraw/zinc/12/88/71/136128871.db2.gz QZSPCUHRAOVRIO-HRCADAONSA-N 1 2 365.905 2.486 1 0 FEAFLO OC[C@H]1C[C@H](Nc2nc(-c3cc(F)ccc3O)nc3ccccc32)C[NH2+]1 ZINC000059287702 212015391 /nfs/dbraw/zinc/01/53/91/212015391.db2.gz OBGJEWVFHZZEGA-QWHCGFSZSA-N 1 2 354.385 2.276 1 0 FEAFLO O=C(c1cc(=O)c2c(O)cccc2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013558839 211039123 /nfs/dbraw/zinc/03/91/23/211039123.db2.gz AQDGMSIHOULMTN-UHFFFAOYSA-N 1 2 364.401 2.457 1 0 FEAFLO Cc1ccc2c(c1)-c1c(c(C(=O)NCC[NH+]3CCOCC3)nn1C)CS2 ZINC000021049206 211305385 /nfs/dbraw/zinc/30/53/85/211305385.db2.gz QACXFOUSCKYEQT-UHFFFAOYSA-N 1 2 372.494 2.063 1 0 FEAFLO COCC[NH+](CCOC)[C@H](C(=O)Oc1c(OC)cccc1OC)C(C)C ZINC000013864510 211064354 /nfs/dbraw/zinc/06/43/54/211064354.db2.gz ATLKGHGKNJZFIM-KRWDZBQOSA-N 1 2 369.458 2.229 1 0 FEAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1 ZINC000064447579 136133211 /nfs/dbraw/zinc/13/32/11/136133211.db2.gz FCDJRMZCFMXAPI-UHFFFAOYSA-N 1 2 374.441 2.287 1 0 FEAFLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000019901545 520952217 /nfs/dbraw/zinc/95/22/17/520952217.db2.gz YYURVCYQHWNCOP-ZACQAIPSSA-N 1 2 356.507 2.353 1 0 FEAFLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000019901541 520953832 /nfs/dbraw/zinc/95/38/32/520953832.db2.gz YYURVCYQHWNCOP-BRWVUGGUSA-N 1 2 356.507 2.353 1 0 FEAFLO O=C(NCCc1c[nH+]c[nH]1)c1cc(Br)c(Br)[nH]1 ZINC000103259982 222329800 /nfs/dbraw/zinc/32/98/00/222329800.db2.gz NCELWINLWDQYKV-UHFFFAOYSA-N 1 2 362.025 2.235 1 0 FEAFLO O=C(NCCc1c[nH]c[nH+]1)c1cc(Br)c(Br)[nH]1 ZINC000103259982 222329802 /nfs/dbraw/zinc/32/98/02/222329802.db2.gz NCELWINLWDQYKV-UHFFFAOYSA-N 1 2 362.025 2.235 1 0 FEAFLO C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H]([NH3+])C4)cc3n21 ZINC000063539369 212032158 /nfs/dbraw/zinc/03/21/58/212032158.db2.gz SHNZBTHVGXHLLD-DTWKUNHWSA-N 1 2 363.414 2.043 1 0 FEAFLO O=C(NCC[NH+]1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 ZINC000064527520 136133258 /nfs/dbraw/zinc/13/32/58/136133258.db2.gz WJGSEALZNJBISL-UHFFFAOYSA-N 1 2 362.836 2.426 1 0 FEAFLO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000013146724 220059688 /nfs/dbraw/zinc/05/96/88/220059688.db2.gz PETTUSLHKJQRDZ-RWMBFGLXSA-N 1 2 359.426 2.391 1 0 FEAFLO Cc1c(N2C[C@H](C)[NH2+][C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049804029 136123927 /nfs/dbraw/zinc/12/39/27/136123927.db2.gz CBANIYKPNRKAQE-QWRGUYRKSA-N 1 2 370.453 2.112 1 0 FEAFLO CC(C)[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000019445947 220258123 /nfs/dbraw/zinc/25/81/23/220258123.db2.gz POEXVWGSEAKPQB-QGZVFWFLSA-N 1 2 357.506 2.338 3 0 FEAFLO COc1ccc(CCNC(=O)c2cc3c(C)[nH+]ccc3[nH]c2=O)cc1OC ZINC000013520779 220070987 /nfs/dbraw/zinc/07/09/87/220070987.db2.gz IAGPVYGCMUEMQJ-UHFFFAOYSA-N 1 2 367.405 2.221 3 0 FEAFLO Nc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccc(F)cc3)ccc2[nH+]1 ZINC000059720597 221127026 /nfs/dbraw/zinc/12/70/26/221127026.db2.gz WARFPZXBVMFRRW-UHFFFAOYSA-N 1 2 352.778 2.420 1 0 FEAFLO C[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057406267 136129258 /nfs/dbraw/zinc/12/92/58/136129258.db2.gz SBBJIOXCFKOSDL-HRCADAONSA-N 1 2 365.905 2.486 1 0 FEAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccs4)c3c2)CC1 ZINC000064393142 136133197 /nfs/dbraw/zinc/13/31/97/136133197.db2.gz DALKVJHTYVRNFB-UHFFFAOYSA-N 1 2 362.480 2.209 1 0 FEAFLO OCC[NH+]1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000013907298 220099081 /nfs/dbraw/zinc/09/90/81/220099081.db2.gz PCDQEOQFNHGVCX-HZPDHXFCSA-N 1 2 353.374 2.333 1 0 FEAFLO COC(=O)[C@@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc32)C[NH2+]1 ZINC000084489106 221722143 /nfs/dbraw/zinc/72/21/43/221722143.db2.gz RKVQETBRWSXNLR-LRDDRELGSA-N 1 2 364.405 2.318 1 0 FEAFLO C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](OC(=O)C[NH+](C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000013099561 220057173 /nfs/dbraw/zinc/05/71/73/220057173.db2.gz ZZWKZQDOSJAGGF-INEZFLPZSA-N 1 2 365.470 2.075 1 0 FEAFLO CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000059866391 221127332 /nfs/dbraw/zinc/12/73/32/221127332.db2.gz GJDJTGRUUFVDLF-KRWDZBQOSA-N 1 2 374.464 2.145 3 0 FEAFLO Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CC[NH+](C)CC4)cc32)cc1 ZINC000064454318 136133145 /nfs/dbraw/zinc/13/31/45/136133145.db2.gz DAXBNFVWZYVXTC-UHFFFAOYSA-N 1 2 370.478 2.456 1 0 in-vivo FEAFLO CC[NH2+]C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282745 222332092 /nfs/dbraw/zinc/33/20/92/222332092.db2.gz YFCDAUMMCVCLEJ-CYBMUJFWSA-N 1 2 355.438 2.470 1 0 FEAFLO