smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580075252 375428899 /nfs/dbraw/zinc/42/88/99/375428899.db2.gz ZKJOXCKREVGZPR-STQMWFEESA-N 2 3 315.462 -0.820 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000866711056 806451035 /nfs/dbraw/zinc/45/10/35/806451035.db2.gz APCHKELZTWHASB-YIYPIFLZSA-N 2 3 322.409 -0.626 20 0 DBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000903783698 807413256 /nfs/dbraw/zinc/41/32/56/807413256.db2.gz AKWATOMPBLBPDP-FQLMCAECSA-N 2 3 311.426 -0.345 20 0 DBADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923344291 807660230 /nfs/dbraw/zinc/66/02/30/807660230.db2.gz GNIQLHRONFJXQJ-ZIAGYGMSSA-N 2 3 310.442 -0.316 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923414694 807666145 /nfs/dbraw/zinc/66/61/45/807666145.db2.gz NFHTYCUUWUFUPL-YIYPIFLZSA-N 2 3 322.409 -0.768 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)[C@H]1CCC[NH2+]C1 ZINC001161448999 833018922 /nfs/dbraw/zinc/01/89/22/833018922.db2.gz JDFKKXONUCFRJN-CAOSSQGBSA-N 2 3 324.469 -0.247 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387615 833012354 /nfs/dbraw/zinc/01/23/54/833012354.db2.gz DGQOHJYVLLWHCT-OLZOCXBDSA-N 2 3 316.471 -0.671 20 0 DBADHP C[NH+](C)CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161449966 833018305 /nfs/dbraw/zinc/01/83/05/833018305.db2.gz WTUFAOVIJLAJJZ-OLZOCXBDSA-N 3 3 317.503 -0.852 20 0 DBADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161449987 833018345 /nfs/dbraw/zinc/01/83/45/833018345.db2.gz XEZLMDQHWYWMEK-LSDHHAIUSA-N 3 3 313.490 -0.025 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)[C@H]1CCC[NH2+]C1 ZINC001161447578 833018466 /nfs/dbraw/zinc/01/84/66/833018466.db2.gz YBEBIKMUMUYWQJ-YHUYYLMFSA-N 2 3 324.469 -0.104 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)[C@@H]1CCC[NH2+]C1 ZINC001161447577 833018732 /nfs/dbraw/zinc/01/87/32/833018732.db2.gz YBEBIKMUMUYWQJ-XUWVNRHRSA-N 2 3 324.469 -0.104 20 0 DBADHP C[NH+](C)CCN(C(=O)c1[nH]nc2c1CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001161452442 833018799 /nfs/dbraw/zinc/01/87/99/833018799.db2.gz RAOFYZWFCVSBKE-GFCCVEGCSA-N 2 3 320.441 -0.189 20 0 DBADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CNCCO1 ZINC001157720301 832058406 /nfs/dbraw/zinc/05/84/06/832058406.db2.gz FTLHMZOIQVLNFL-KGLIPLIRSA-N 2 3 300.447 -0.071 20 0 DBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001158498690 832118854 /nfs/dbraw/zinc/11/88/54/832118854.db2.gz SLPUWUGJXQUGJK-FQUUOJAGSA-N 2 3 324.425 -0.935 20 0 DBADHP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158532914 832120498 /nfs/dbraw/zinc/12/04/98/832120498.db2.gz FSUBBYJXIGQJDC-XPLWTBFPSA-N 2 3 320.437 -0.835 20 0 DBADHP [NH3+]C1([C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2CF)CC1 ZINC001158566653 832122642 /nfs/dbraw/zinc/12/26/42/832122642.db2.gz CHUKRUQLJUYTLB-GUIRCDHDSA-N 2 3 310.417 -0.279 20 0 DBADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161158244 832986502 /nfs/dbraw/zinc/98/65/02/832986502.db2.gz RYFTVJRXXCEHRG-ZDUSSCGKSA-N 2 3 300.403 -0.946 20 0 DBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001161175439 832988157 /nfs/dbraw/zinc/98/81/57/832988157.db2.gz LYCDZPSQYNNFAW-JYYAWHABSA-N 2 3 306.454 -0.014 20 0 DBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001161175439 832988161 /nfs/dbraw/zinc/98/81/61/832988161.db2.gz LYCDZPSQYNNFAW-JYYAWHABSA-N 2 3 306.454 -0.014 20 0 DBADHP CCC[NH+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2C1 ZINC001161175443 832988192 /nfs/dbraw/zinc/98/81/92/832988192.db2.gz LYCDZPSQYNNFAW-LJIGWXMPSA-N 2 3 306.454 -0.014 20 0 DBADHP [NH3+]C[C@@]1(O)CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246018648 834409871 /nfs/dbraw/zinc/40/98/71/834409871.db2.gz FMGHFVNDUJWRDB-HIFRSBDPSA-N 2 3 301.431 -0.972 20 0 DBADHP O=C1CN(C2CCC3(CC2)C[NH2+]CCO3)CC2(CC[NH2+]CC2)N1 ZINC001246627578 834443123 /nfs/dbraw/zinc/44/31/23/834443123.db2.gz NNFVDXBEUIITCQ-UHFFFAOYSA-N 2 3 322.453 -0.158 20 0 DBADHP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CC34CNC4)sc2C1 ZINC001218534386 978829024 /nfs/dbraw/zinc/82/90/24/978829024.db2.gz WYSXBBOPKBSNKQ-DTWKUNHWSA-N 2 3 307.423 -0.293 20 0 DBADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219741486 979005345 /nfs/dbraw/zinc/00/53/45/979005345.db2.gz LYXOSTOCQQEIAW-JKIFEVAISA-N 2 3 322.453 -0.397 20 0 DBADHP N[C@@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CC[NH2+]CC1 ZINC001219743526 979006169 /nfs/dbraw/zinc/00/61/69/979006169.db2.gz GCKMMXJPSQKPTR-ZIAGYGMSSA-N 2 3 310.442 -0.269 20 0 DBADHP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219801006 979019497 /nfs/dbraw/zinc/01/94/97/979019497.db2.gz QGOSNEVWOCOVLA-UONOGXRCSA-N 2 3 322.453 -0.255 20 0 DBADHP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316866 979164520 /nfs/dbraw/zinc/16/45/20/979164520.db2.gz UHBKUCCFJXUSBQ-RRCSTGOVSA-N 2 3 308.426 -0.787 20 0 DBADHP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC[NH2+]C1 ZINC001220522051 979222280 /nfs/dbraw/zinc/22/22/80/979222280.db2.gz ZLSNUVDJRYFXAJ-BDJLRTHQSA-N 2 3 322.409 -0.888 20 0 DBADHP C[NH+](C)CCCC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519293 979223764 /nfs/dbraw/zinc/22/37/64/979223764.db2.gz JEFCVRKQHSZNLU-ZDUSSCGKSA-N 2 3 304.435 -0.846 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803530 979289985 /nfs/dbraw/zinc/28/99/85/979289985.db2.gz IJWHPWHGLSEKQL-XHNCKOQMSA-N 2 3 314.377 -0.338 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937402 979333400 /nfs/dbraw/zinc/33/34/00/979333400.db2.gz QQJDFHUWKDSMET-KGLIPLIRSA-N 2 3 300.447 -0.023 20 0 DBADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923344288 807660323 /nfs/dbraw/zinc/66/03/23/807660323.db2.gz GNIQLHRONFJXQJ-UONOGXRCSA-N 2 3 310.442 -0.316 20 0 DBADHP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)CC1 ZINC001161377992 833010474 /nfs/dbraw/zinc/01/04/74/833010474.db2.gz KEADJQFHUDMFCB-UKPHBRMFSA-N 2 3 321.469 -0.791 20 0 DBADHP CN(C)CCN(C(=O)CCCCNC(N)=[NH2+])[C@@H]1CCC[NH2+]C1 ZINC001161444453 833017227 /nfs/dbraw/zinc/01/72/27/833017227.db2.gz IGBSEATYUBTHPP-CYBMUJFWSA-N 2 3 312.462 -0.218 20 0 DBADHP CN(C)CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447719 833018317 /nfs/dbraw/zinc/01/83/17/833018317.db2.gz YPNUGMUCGQQLKJ-GDBMZVCRSA-N 2 3 312.458 -0.367 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[NH2+]C1 ZINC001161446333 833018775 /nfs/dbraw/zinc/01/87/75/833018775.db2.gz SEEDFSQVIBCLDN-RWMBFGLXSA-N 2 3 309.414 -0.897 20 0 DBADHP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC12COC2 ZINC001161509887 833028951 /nfs/dbraw/zinc/02/89/51/833028951.db2.gz MHRYUCOLYFDOAS-UKRRQHHQSA-N 2 3 322.453 -0.364 20 0 DBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001157448719 832043653 /nfs/dbraw/zinc/04/36/53/832043653.db2.gz HHBCRWPLOJPPOL-LBPRGKRZSA-N 2 3 324.425 -0.932 20 0 DBADHP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160538257 832914797 /nfs/dbraw/zinc/91/47/97/832914797.db2.gz GGHIKRSMHJIEJK-GHMZBOCLSA-N 2 3 302.382 -0.764 20 0 DBADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001306 832964809 /nfs/dbraw/zinc/96/48/09/832964809.db2.gz XYIKRFGYAAPMIL-ZIAGYGMSSA-N 2 3 322.453 -0.424 20 0 DBADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001306 832964812 /nfs/dbraw/zinc/96/48/12/832964812.db2.gz XYIKRFGYAAPMIL-ZIAGYGMSSA-N 2 3 322.453 -0.424 20 0 DBADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161158243 832986370 /nfs/dbraw/zinc/98/63/70/832986370.db2.gz RYFTVJRXXCEHRG-CYBMUJFWSA-N 2 3 300.403 -0.946 20 0 DBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001161175441 832989023 /nfs/dbraw/zinc/98/90/23/832989023.db2.gz LYCDZPSQYNNFAW-KCYZZUKISA-N 2 3 306.454 -0.014 20 0 DBADHP O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CC[NH2+]CC1 ZINC001238241124 834350850 /nfs/dbraw/zinc/35/08/50/834350850.db2.gz JATVPBGCGYJBHJ-GFCCVEGCSA-N 2 3 316.471 -0.468 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001245981048 834406500 /nfs/dbraw/zinc/40/65/00/834406500.db2.gz PUUYKRPCVLOTNV-HRCADAONSA-N 2 3 305.422 -0.115 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001245981048 834406506 /nfs/dbraw/zinc/40/65/06/834406506.db2.gz PUUYKRPCVLOTNV-HRCADAONSA-N 2 3 305.422 -0.115 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001245988801 834407850 /nfs/dbraw/zinc/40/78/50/834407850.db2.gz WLNCRIHUTFJEHI-VSZNYVQBSA-N 2 3 318.465 -0.199 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001245988801 834407860 /nfs/dbraw/zinc/40/78/60/834407860.db2.gz WLNCRIHUTFJEHI-VSZNYVQBSA-N 2 3 318.465 -0.199 20 0 DBADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCOCC[NH3+] ZINC001246010155 834408956 /nfs/dbraw/zinc/40/89/56/834408956.db2.gz KCLRDZLLBQTISR-UONOGXRCSA-N 2 3 303.353 -0.240 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246034097 834411973 /nfs/dbraw/zinc/41/19/73/834411973.db2.gz WSAIHNCVAXICJY-DLBZAZTESA-N 2 3 318.465 -0.055 20 0 DBADHP CCOC(=O)[C@@]12CN(C[C@@]3(O)CC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001246030607 834411986 /nfs/dbraw/zinc/41/19/86/834411986.db2.gz AHHKYLLUNWPQOB-IMJJTQAJSA-N 2 3 311.426 -0.425 20 0 DBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(C[C@]1(O)CC[NH2+]C1)C2 ZINC001246033689 834412123 /nfs/dbraw/zinc/41/21/23/834412123.db2.gz JIMUNPPLPHLSDY-WALBABNVSA-N 2 3 309.410 -0.959 20 0 DBADHP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1C[NH2+]CC12CNC2 ZINC001219537891 978960621 /nfs/dbraw/zinc/96/06/21/978960621.db2.gz REMRETDKNWLUJI-JTNHKYCSSA-N 2 3 314.389 -0.118 20 0 DBADHP N[C@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CC[NH2+]CC1 ZINC001219743523 979004943 /nfs/dbraw/zinc/00/49/43/979004943.db2.gz GCKMMXJPSQKPTR-KBPBESRZSA-N 2 3 310.442 -0.269 20 0 DBADHP N=c1sc2c(n1C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)CC[C@H]([NH3+])C2 ZINC001220022576 979065343 /nfs/dbraw/zinc/06/53/43/979065343.db2.gz IGNPLEKXQKHZGX-HZFYHNGZSA-N 2 3 307.423 -0.293 20 0 DBADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1ncn2c1CNCCC2 ZINC001220312742 979161949 /nfs/dbraw/zinc/16/19/49/979161949.db2.gz DTRWKIWTAZTHRK-LBPRGKRZSA-N 2 3 308.430 -0.161 20 0 DBADHP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCNC1 ZINC001220523323 979227611 /nfs/dbraw/zinc/22/76/11/979227611.db2.gz MHJZMVGSQADRRP-NSHDSACASA-N 2 3 312.414 -0.241 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220583782 979243115 /nfs/dbraw/zinc/24/31/15/979243115.db2.gz YKPRFDRLSPQHNJ-LBPRGKRZSA-N 2 3 312.414 -0.789 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220583782 979243128 /nfs/dbraw/zinc/24/31/28/979243128.db2.gz YKPRFDRLSPQHNJ-LBPRGKRZSA-N 2 3 312.414 -0.789 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220799734 979288380 /nfs/dbraw/zinc/28/83/80/979288380.db2.gz GDLQFPMLPQEAQI-OPRDCNLKSA-N 2 3 306.332 -0.548 20 0 DBADHP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001448621638 1009829835 /nfs/dbraw/zinc/82/98/35/1009829835.db2.gz WKIKEPZHSGEFJN-KGLIPLIRSA-N 2 3 308.426 -0.203 20 0 DBADHP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCCN1CCCC1 ZINC000631941514 382656193 /nfs/dbraw/zinc/65/61/93/382656193.db2.gz ZDBWRYMHIZMVQF-UHFFFAOYSA-N 2 3 306.476 -0.198 20 0 DBADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662272437 412174053 /nfs/dbraw/zinc/17/40/53/412174053.db2.gz MVUMCBXEZKMHGG-UONOGXRCSA-N 2 3 310.442 -0.173 20 0 DBADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662272438 412174377 /nfs/dbraw/zinc/17/43/77/412174377.db2.gz MVUMCBXEZKMHGG-ZIAGYGMSSA-N 2 3 310.442 -0.173 20 0 DBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203720 807087718 /nfs/dbraw/zinc/08/77/18/807087718.db2.gz XXXRZRPKERXVDC-UHFFFAOYSA-N 2 3 315.462 -0.818 20 0 DBADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923344281 807660532 /nfs/dbraw/zinc/66/05/32/807660532.db2.gz GNIQLHRONFJXQJ-KBPBESRZSA-N 2 3 310.442 -0.316 20 0 DBADHP CN(C)CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447722 833018276 /nfs/dbraw/zinc/01/82/76/833018276.db2.gz YPNUGMUCGQQLKJ-ZBFHGGJFSA-N 2 3 312.458 -0.367 20 0 DBADHP CN(C)CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447721 833018816 /nfs/dbraw/zinc/01/88/16/833018816.db2.gz YPNUGMUCGQQLKJ-HOCLYGCPSA-N 2 3 312.458 -0.367 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161476003 833021860 /nfs/dbraw/zinc/02/18/60/833021860.db2.gz AIFZDZPNYZSFLT-ZOWXZIJZSA-N 2 3 312.414 -0.804 20 0 DBADHP [NH3+]C1([C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2CF)CC1 ZINC001158566656 832122889 /nfs/dbraw/zinc/12/28/89/832122889.db2.gz CHUKRUQLJUYTLB-SFDCQRBFSA-N 2 3 310.417 -0.279 20 0 DBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001159135727 832160073 /nfs/dbraw/zinc/16/00/73/832160073.db2.gz YFULCNWMUHVSIP-STQMWFEESA-N 2 3 308.430 -0.531 20 0 DBADHP COCCN(C(=O)[C@@H](N)CSCC[NH3+])C1CC[NH+](C)CC1 ZINC001160441895 832905293 /nfs/dbraw/zinc/90/52/93/832905293.db2.gz ZMDRLDOUBLMRQS-ZDUSSCGKSA-N 2 3 318.487 -0.425 20 0 DBADHP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C[C@H]1O ZINC001160653161 832931414 /nfs/dbraw/zinc/93/14/14/832931414.db2.gz WXBLHRDMAXBEBN-BPLDGKMQSA-N 2 3 310.442 -0.629 20 0 DBADHP O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001238243644 834350444 /nfs/dbraw/zinc/35/04/44/834350444.db2.gz UZYXEOSLYXKIMG-NWDGAFQWSA-N 2 3 302.444 -0.858 20 0 DBADHP CN(CC[NH3+])CC[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245994267 834407324 /nfs/dbraw/zinc/40/73/24/834407324.db2.gz PMCXUWRKWMLVEF-LSDHHAIUSA-N 2 3 316.396 -0.324 20 0 DBADHP [NH3+]C1([C@@H]2CN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001246037238 834413509 /nfs/dbraw/zinc/41/35/09/834413509.db2.gz FGTXPJVKHHRRFP-MELADBBJSA-N 2 3 315.433 -0.139 20 0 DBADHP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219800192 979019361 /nfs/dbraw/zinc/01/93/61/979019361.db2.gz HONPJPWPCCJPNX-GZBFAFLISA-N 2 3 308.426 -0.930 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219854629 979031969 /nfs/dbraw/zinc/03/19/69/979031969.db2.gz NLMGXQITJOAHFB-DRPJVOAASA-N 2 3 322.453 -0.447 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219854629 979031975 /nfs/dbraw/zinc/03/19/75/979031975.db2.gz NLMGXQITJOAHFB-DRPJVOAASA-N 2 3 322.453 -0.447 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219854629 979031980 /nfs/dbraw/zinc/03/19/80/979031980.db2.gz NLMGXQITJOAHFB-DRPJVOAASA-N 2 3 322.453 -0.447 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220799732 979286860 /nfs/dbraw/zinc/28/68/60/979286860.db2.gz GDLQFPMLPQEAQI-KXUCPTDWSA-N 2 3 306.332 -0.548 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803528 979291293 /nfs/dbraw/zinc/29/12/93/979291293.db2.gz IJWHPWHGLSEKQL-HRDYMLBCSA-N 2 3 314.377 -0.338 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220931076 979331037 /nfs/dbraw/zinc/33/10/37/979331037.db2.gz XVUXKLIIEKKBNQ-GVXVVHGQSA-N 2 3 316.471 -0.497 20 0 DBADHP CN1CCC(CO)(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001221402577 979414911 /nfs/dbraw/zinc/41/49/11/979414911.db2.gz IOBWATJJPMFSER-ZDUSSCGKSA-N 2 3 300.447 -0.382 20 0 DBADHP C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)COC1 ZINC001337577180 808470178 /nfs/dbraw/zinc/47/01/78/808470178.db2.gz IHGUWJJOMDVSDH-YHUYYLMFSA-N 2 3 306.454 -0.695 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387617 833012168 /nfs/dbraw/zinc/01/21/68/833012168.db2.gz DGQOHJYVLLWHCT-STQMWFEESA-N 2 3 316.471 -0.671 20 0 DBADHP CN(C)CCN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444848 833016948 /nfs/dbraw/zinc/01/69/48/833016948.db2.gz KYJBJQKGCLJDRA-CQSZACIVSA-N 2 3 312.458 -0.103 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444513 833017314 /nfs/dbraw/zinc/01/73/14/833017314.db2.gz IYASLTCRXXNZMN-CZUORRHYSA-N 2 3 323.441 -0.363 20 0 DBADHP C[NH+](C)CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001161445083 833018546 /nfs/dbraw/zinc/01/85/46/833018546.db2.gz NDXXOBKAWUQBPU-BFYDXBDKSA-N 3 3 323.485 -0.672 20 0 DBADHP [NH3+][C@H]1CN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC12COC2 ZINC001161509888 833029059 /nfs/dbraw/zinc/02/90/59/833029059.db2.gz MHRYUCOLYFDOAS-ZFWWWQNUSA-N 2 3 322.453 -0.364 20 0 DBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001157449336 832043557 /nfs/dbraw/zinc/04/35/57/832043557.db2.gz YEDNONVMEWOGSJ-LLVKDONJSA-N 2 3 300.403 -0.674 20 0 DBADHP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158071105 832087364 /nfs/dbraw/zinc/08/73/64/832087364.db2.gz UWSOMEJKMSCPIR-CZUORRHYSA-N 2 3 308.426 -0.834 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579654 832123423 /nfs/dbraw/zinc/12/34/23/832123423.db2.gz WLJQFCJGVSXSEQ-DCAQKATOSA-N 2 3 304.435 -0.459 20 0 DBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291774 832802537 /nfs/dbraw/zinc/80/25/37/832802537.db2.gz SPJKYSNOQNOCSU-AWEZNQCLSA-N 2 3 304.438 -0.260 20 0 DBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291774 832802548 /nfs/dbraw/zinc/80/25/48/832802548.db2.gz SPJKYSNOQNOCSU-AWEZNQCLSA-N 2 3 304.438 -0.260 20 0 DBADHP CCOC(=O)[C@]12CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160806479 832945511 /nfs/dbraw/zinc/94/55/11/832945511.db2.gz SUDFVFMCCUSJLL-LALPHHSUSA-N 2 3 312.414 -0.946 20 0 DBADHP O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CC[NH2+]CC1 ZINC001238241134 834350290 /nfs/dbraw/zinc/35/02/90/834350290.db2.gz JATVPBGCGYJBHJ-LBPRGKRZSA-N 2 3 316.471 -0.468 20 0 DBADHP O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001238243637 834350504 /nfs/dbraw/zinc/35/05/04/834350504.db2.gz UZYXEOSLYXKIMG-NEPJUHHUSA-N 2 3 302.444 -0.858 20 0 DBADHP CCOC(=O)CC1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246322570 834429613 /nfs/dbraw/zinc/42/96/13/834429613.db2.gz ATWQFRCTQAJQKC-ZDUSSCGKSA-N 2 3 310.442 -0.255 20 0 DBADHP O=C1NCC[C@@]12C[N@@H+](C1CCC3(C[NH2+]C3)CC1)CC21CNC1 ZINC001246626703 834443582 /nfs/dbraw/zinc/44/35/82/834443582.db2.gz KJZBEMYJCMKKLX-QGZVFWFLSA-N 2 3 304.438 -0.070 20 0 DBADHP O=C1NCC[C@@]12C[N@H+](C1CCC3(C[NH2+]C3)CC1)CC21CNC1 ZINC001246626703 834443589 /nfs/dbraw/zinc/44/35/89/834443589.db2.gz KJZBEMYJCMKKLX-QGZVFWFLSA-N 2 3 304.438 -0.070 20 0 DBADHP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001219116999 978878496 /nfs/dbraw/zinc/87/84/96/978878496.db2.gz UXRINZGDIRABRJ-OAHLLOKOSA-N 2 3 315.421 -0.156 20 0 DBADHP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219537893 978961533 /nfs/dbraw/zinc/96/15/33/978961533.db2.gz REMRETDKNWLUJI-UHIISALHSA-N 2 3 314.389 -0.118 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219854628 979032901 /nfs/dbraw/zinc/03/29/01/979032901.db2.gz NLMGXQITJOAHFB-DMRZNYOFSA-N 2 3 322.453 -0.447 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219854628 979032906 /nfs/dbraw/zinc/03/29/06/979032906.db2.gz NLMGXQITJOAHFB-DMRZNYOFSA-N 2 3 322.453 -0.447 20 0 DBADHP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219854628 979032912 /nfs/dbraw/zinc/03/29/12/979032912.db2.gz NLMGXQITJOAHFB-DMRZNYOFSA-N 2 3 322.453 -0.447 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321215 979166632 /nfs/dbraw/zinc/16/66/32/979166632.db2.gz STRYFSVWQXVSAE-GVXVVHGQSA-N 2 3 302.444 -0.967 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220515948 979221161 /nfs/dbraw/zinc/22/11/61/979221161.db2.gz MIALHJODBKPBJD-AWEZNQCLSA-N 2 3 311.474 -0.543 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220515948 979221178 /nfs/dbraw/zinc/22/11/78/979221178.db2.gz MIALHJODBKPBJD-AWEZNQCLSA-N 2 3 311.474 -0.543 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220515948 979221189 /nfs/dbraw/zinc/22/11/89/979221189.db2.gz MIALHJODBKPBJD-AWEZNQCLSA-N 2 3 311.474 -0.543 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220585846 979242694 /nfs/dbraw/zinc/24/26/94/979242694.db2.gz ZYNZZDRURXPWDN-ZDUSSCGKSA-N 2 3 316.446 -0.168 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220937415 979331664 /nfs/dbraw/zinc/33/16/64/979331664.db2.gz QUZDAPNIONZJOE-HOCLYGCPSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220937415 979331672 /nfs/dbraw/zinc/33/16/72/979331672.db2.gz QUZDAPNIONZJOE-HOCLYGCPSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220937415 979331680 /nfs/dbraw/zinc/33/16/80/979331680.db2.gz QUZDAPNIONZJOE-HOCLYGCPSA-N 2 3 324.469 -0.055 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333370 979403915 /nfs/dbraw/zinc/40/39/15/979403915.db2.gz SQTDYTJGLHGMJI-KBPBESRZSA-N 2 3 308.451 -0.082 20 0 DBADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627162060 381113253 /nfs/dbraw/zinc/11/32/53/381113253.db2.gz MWGVLLKBWWHHAA-UHFFFAOYSA-N 2 3 315.462 -0.371 20 0 DBADHP COCCNCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877142937 806823539 /nfs/dbraw/zinc/82/35/39/806823539.db2.gz ARIPXYLLQCXEOY-ZIAGYGMSSA-N 2 3 300.447 -0.580 20 0 DBADHP CN(C)CCN(C(=O)COC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161444847 833017060 /nfs/dbraw/zinc/01/70/60/833017060.db2.gz KYJBJQKGCLJDRA-AWEZNQCLSA-N 2 3 312.458 -0.103 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161449009 833017869 /nfs/dbraw/zinc/01/78/69/833017869.db2.gz JDFKKXONUCFRJN-ZJIFWQFVSA-N 2 3 324.469 -0.247 20 0 DBADHP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161476001 833021751 /nfs/dbraw/zinc/02/17/51/833021751.db2.gz AIFZDZPNYZSFLT-SLEUVZQESA-N 2 3 312.414 -0.804 20 0 DBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001157448718 832043257 /nfs/dbraw/zinc/04/32/57/832043257.db2.gz HHBCRWPLOJPPOL-GFCCVEGCSA-N 2 3 324.425 -0.932 20 0 DBADHP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158532912 832120620 /nfs/dbraw/zinc/12/06/20/832120620.db2.gz FSUBBYJXIGQJDC-JYXJIEJFSA-N 2 3 320.437 -0.835 20 0 DBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2CF)CC1 ZINC001158566654 832122817 /nfs/dbraw/zinc/12/28/17/832122817.db2.gz CHUKRUQLJUYTLB-KYEXWDHISA-N 2 3 310.417 -0.279 20 0 DBADHP CN(C)CCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031619 832867513 /nfs/dbraw/zinc/86/75/13/832867513.db2.gz ZNMVNIMWTVPDOH-KRWDZBQOSA-N 2 3 324.469 -0.149 20 0 DBADHP CN(C)CCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031619 832867528 /nfs/dbraw/zinc/86/75/28/832867528.db2.gz ZNMVNIMWTVPDOH-KRWDZBQOSA-N 2 3 324.469 -0.149 20 0 DBADHP COCCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC[NH+](C)CC1 ZINC001160440744 832904257 /nfs/dbraw/zinc/90/42/57/832904257.db2.gz SUBUDSWEFKGWCE-RHSMWYFYSA-N 2 3 324.469 -0.245 20 0 DBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](N)CCC[NH3+] ZINC001160629216 832926137 /nfs/dbraw/zinc/92/61/37/832926137.db2.gz JIHSHJZFVMZSAV-CQSZACIVSA-N 3 3 301.479 -0.215 20 0 DBADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161157808 832986476 /nfs/dbraw/zinc/98/64/76/832986476.db2.gz KIXGVUWWMRPSRZ-ZDUSSCGKSA-N 2 3 316.446 -0.214 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001245981058 834406319 /nfs/dbraw/zinc/40/63/19/834406319.db2.gz PUUYKRPCVLOTNV-OWCLPIDISA-N 2 3 305.422 -0.115 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001245981058 834406323 /nfs/dbraw/zinc/40/63/23/834406323.db2.gz PUUYKRPCVLOTNV-OWCLPIDISA-N 2 3 305.422 -0.115 20 0 DBADHP [NH3+]C1([C@@H]2CN(C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001246037241 834413131 /nfs/dbraw/zinc/41/31/31/834413131.db2.gz FGTXPJVKHHRRFP-MGPQQGTHSA-N 2 3 315.433 -0.139 20 0 DBADHP COC(=O)C1C[C@@H]2CC(NCCN3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246120645 834417506 /nfs/dbraw/zinc/41/75/06/834417506.db2.gz OUYCXKTWDCKEKA-ZMYVRHLSSA-N 2 3 310.442 -0.447 20 0 DBADHP CC1(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC[NH2+]CC1 ZINC001246814836 834455676 /nfs/dbraw/zinc/45/56/76/834455676.db2.gz XNZDHCFPDQMPFQ-HNNXBMFYSA-N 2 3 307.486 -0.160 20 0 DBADHP CC1(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC[NH2+]CC1 ZINC001246814844 834455791 /nfs/dbraw/zinc/45/57/91/834455791.db2.gz XNZDHCFPDQMPFQ-OAHLLOKOSA-N 2 3 307.486 -0.160 20 0 DBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219737190 979003112 /nfs/dbraw/zinc/00/31/12/979003112.db2.gz QHNOIGSUDXGNRK-STQMWFEESA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219737190 979003119 /nfs/dbraw/zinc/00/31/19/979003119.db2.gz QHNOIGSUDXGNRK-STQMWFEESA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219737187 979003731 /nfs/dbraw/zinc/00/37/31/979003731.db2.gz QHNOIGSUDXGNRK-CHWSQXEVSA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219737187 979003733 /nfs/dbraw/zinc/00/37/33/979003733.db2.gz QHNOIGSUDXGNRK-CHWSQXEVSA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219741201 979004666 /nfs/dbraw/zinc/00/46/66/979004666.db2.gz CRMILFHVKGYNHD-STQMWFEESA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219813402 979024288 /nfs/dbraw/zinc/02/42/88/979024288.db2.gz SERLOLLLGFFQMO-YDHLFZDLSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219813402 979024294 /nfs/dbraw/zinc/02/42/94/979024294.db2.gz SERLOLLLGFFQMO-YDHLFZDLSA-N 2 3 308.426 -0.787 20 0 DBADHP CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103628 979096337 /nfs/dbraw/zinc/09/63/37/979096337.db2.gz ZYAHEKXRAKRPNC-QWRGUYRKSA-N 2 3 314.434 -0.675 20 0 DBADHP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220311194 979160603 /nfs/dbraw/zinc/16/06/03/979160603.db2.gz KZJHKGXCNMJUDI-MLGOLLRUSA-N 2 3 318.425 -0.808 20 0 DBADHP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220790356 979285651 /nfs/dbraw/zinc/28/56/51/979285651.db2.gz QTUQNMDVMABHRT-SOUVJXGZSA-N 2 3 315.421 -0.343 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124164 979369128 /nfs/dbraw/zinc/36/91/28/979369128.db2.gz YMYMQEDJHOFLIK-ZDUSSCGKSA-N 2 3 323.466 -0.204 20 0 DBADHP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221121515 979369291 /nfs/dbraw/zinc/36/92/91/979369291.db2.gz IFCDMGTYSIACDF-CQSZACIVSA-N 2 3 315.421 -0.415 20 0 DBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517452 807189242 /nfs/dbraw/zinc/18/92/42/807189242.db2.gz GPYVPFUTLJDFAN-CABCVRRESA-N 2 3 309.458 -0.837 20 0 DBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517452 807189246 /nfs/dbraw/zinc/18/92/46/807189246.db2.gz GPYVPFUTLJDFAN-CABCVRRESA-N 2 3 309.458 -0.837 20 0 DBADHP c1nnn([C@H]2CCC[NH2+]C2)c1CNCCCN1CC[NH2+]CC1 ZINC000903917912 807420974 /nfs/dbraw/zinc/42/09/74/807420974.db2.gz OPRBWWWVRIOAHQ-AWEZNQCLSA-N 2 3 307.446 -0.413 20 0 DBADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161449986 833018841 /nfs/dbraw/zinc/01/88/41/833018841.db2.gz XEZLMDQHWYWMEK-GJZGRUSLSA-N 3 3 313.490 -0.025 20 0 DBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382269 833011166 /nfs/dbraw/zinc/01/11/66/833011166.db2.gz WGNROVBWHGCXHR-UONOGXRCSA-N 2 3 308.426 -0.881 20 0 DBADHP O=C(N1CCO[C@@H](C[NH+]2CCCC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161382316 833011282 /nfs/dbraw/zinc/01/12/82/833011282.db2.gz XIDZWTGAKLAPAZ-HLLBOEOZSA-N 2 3 322.453 -0.491 20 0 DBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382268 833011701 /nfs/dbraw/zinc/01/17/01/833011701.db2.gz WGNROVBWHGCXHR-KGLIPLIRSA-N 2 3 308.426 -0.881 20 0 DBADHP CN(C)CCN(C(=O)CCCCNC(N)=[NH2+])[C@H]1CCC[NH2+]C1 ZINC001161444454 833017301 /nfs/dbraw/zinc/01/73/01/833017301.db2.gz IGBSEATYUBTHPP-ZDUSSCGKSA-N 2 3 312.462 -0.218 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)[C@@H]1CCC[NH2+]C1 ZINC001161447278 833018221 /nfs/dbraw/zinc/01/82/21/833018221.db2.gz WRLIPPYTICIWJA-XUWVNRHRSA-N 2 3 324.469 -0.104 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001161477314 833022477 /nfs/dbraw/zinc/02/24/77/833022477.db2.gz DXFULPUXOSSCKG-XEZPLFJOSA-N 2 3 324.425 -0.933 20 0 DBADHP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC12COC2 ZINC001161509886 833029120 /nfs/dbraw/zinc/02/91/20/833029120.db2.gz MHRYUCOLYFDOAS-HIFRSBDPSA-N 2 3 322.453 -0.364 20 0 DBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001157449337 832043498 /nfs/dbraw/zinc/04/34/98/832043498.db2.gz YEDNONVMEWOGSJ-NSHDSACASA-N 2 3 300.403 -0.674 20 0 DBADHP C[NH+](C)CCN1C(=O)COCC12CN(CC1CC[NH2+]CC1)C2 ZINC001273031219 832866860 /nfs/dbraw/zinc/86/68/60/832866860.db2.gz VBFRWJHWJZTYFK-UHFFFAOYSA-N 2 3 310.442 -0.539 20 0 DBADHP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CCO1 ZINC001160643801 832928811 /nfs/dbraw/zinc/92/88/11/832928811.db2.gz NOZJKGRTBYNPHC-ZFWWWQNUSA-N 2 3 310.442 -0.364 20 0 DBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001300 832965152 /nfs/dbraw/zinc/96/51/52/832965152.db2.gz XYIKRFGYAAPMIL-KBPBESRZSA-N 2 3 322.453 -0.424 20 0 DBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001300 832965156 /nfs/dbraw/zinc/96/51/56/832965156.db2.gz XYIKRFGYAAPMIL-KBPBESRZSA-N 2 3 322.453 -0.424 20 0 DBADHP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]2C1 ZINC001161174948 832988179 /nfs/dbraw/zinc/98/81/79/832988179.db2.gz HHORVHGIDNJXQU-AVGNSLFASA-N 2 3 300.472 -0.194 20 0 DBADHP O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC001238243648 834349460 /nfs/dbraw/zinc/34/94/60/834349460.db2.gz UZYXEOSLYXKIMG-VXGBXAGGSA-N 2 3 302.444 -0.858 20 0 DBADHP C(C[NH+]1CCCC1)N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246861110 834459726 /nfs/dbraw/zinc/45/97/26/834459726.db2.gz SEFFUAYUVXDPGT-MRXNPFEDSA-N 2 3 307.486 -0.206 20 0 DBADHP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010965 834468936 /nfs/dbraw/zinc/46/89/36/834468936.db2.gz XCADUMFFCXCPIQ-UONOGXRCSA-N 2 3 323.437 -0.018 20 0 DBADHP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010965 834468938 /nfs/dbraw/zinc/46/89/38/834468938.db2.gz XCADUMFFCXCPIQ-UONOGXRCSA-N 2 3 323.437 -0.018 20 0 DBADHP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)sc2C1 ZINC001218534385 978829449 /nfs/dbraw/zinc/82/94/49/978829449.db2.gz WYSXBBOPKBSNKQ-BDAKNGLRSA-N 2 3 307.423 -0.293 20 0 DBADHP Nc1cccnc1N(C(=O)[C@@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001218695433 978845717 /nfs/dbraw/zinc/84/57/17/978845717.db2.gz WRFMWWJIYRQGCR-ZDUSSCGKSA-N 2 3 306.414 -0.185 20 0 DBADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]CC12CNC2 ZINC001219741198 979004278 /nfs/dbraw/zinc/00/42/78/979004278.db2.gz CRMILFHVKGYNHD-CHWSQXEVSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219788942 979014520 /nfs/dbraw/zinc/01/45/20/979014520.db2.gz STCCJUJQCHLNLN-DZGCQCFKSA-N 2 3 317.437 -0.477 20 0 DBADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220315590 979164779 /nfs/dbraw/zinc/16/47/79/979164779.db2.gz FVGLKWYPADECNM-GRDNDAEWSA-N 2 3 322.453 -0.112 20 0 DBADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220315590 979164786 /nfs/dbraw/zinc/16/47/86/979164786.db2.gz FVGLKWYPADECNM-GRDNDAEWSA-N 2 3 322.453 -0.112 20 0 DBADHP N[C@H](CCC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648866 979255500 /nfs/dbraw/zinc/25/55/00/979255500.db2.gz NBDQNBNJTGFYHJ-CQSZACIVSA-N 2 3 305.426 -0.221 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220801439 979290495 /nfs/dbraw/zinc/29/04/95/979290495.db2.gz ZUKZZWFHDJWIFR-LSCVPOLPSA-N 2 3 320.359 -0.158 20 0 DBADHP N[C@H](CCC[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114008 979366544 /nfs/dbraw/zinc/36/65/44/979366544.db2.gz JNIVEEPYJRDMGI-CYBMUJFWSA-N 2 3 305.426 -0.115 20 0 DBADHP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580075251 375428300 /nfs/dbraw/zinc/42/83/00/375428300.db2.gz ZKJOXCKREVGZPR-QWHCGFSZSA-N 2 3 315.462 -0.820 20 0 DBADHP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000877143184 806824554 /nfs/dbraw/zinc/82/45/54/806824554.db2.gz HCSFWBQWCGAULE-RBSFLKMASA-N 2 3 312.458 -0.437 20 0 DBADHP C(N1C[C@H]2C[NH2+]C[C@@H]2C1)C1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)COC1 ZINC001337577178 808470165 /nfs/dbraw/zinc/47/01/65/808470165.db2.gz IHGUWJJOMDVSDH-RUPPMWDTSA-N 2 3 306.454 -0.695 20 0 DBADHP C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(CN2C[C@H]3C[NH2+]C[C@H]3C2)COC1 ZINC001337577176 808470287 /nfs/dbraw/zinc/47/02/87/808470287.db2.gz IHGUWJJOMDVSDH-GEEKYZPCSA-N 2 3 306.454 -0.695 20 0 DBADHP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)CC1 ZINC001161377991 833009911 /nfs/dbraw/zinc/00/99/11/833009911.db2.gz KEADJQFHUDMFCB-FRFSOERESA-N 2 3 321.469 -0.791 20 0 DBADHP N[C@@H]1C[C@]2(C(=O)N3CC[C@@H](N4CCC([NH3+])CC4)C3)CC[C@H]1[NH2+]2 ZINC001161379357 833010059 /nfs/dbraw/zinc/01/00/59/833010059.db2.gz OGRXIECLSUKFDD-KQTLUZQSSA-N 2 3 307.442 -0.768 20 0 DBADHP Cn1cncc1C[C@H](N)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161443332 833017587 /nfs/dbraw/zinc/01/75/87/833017587.db2.gz QGCPEDOXHJOKHY-ZFWWWQNUSA-N 2 3 322.457 -0.568 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161449002 833018169 /nfs/dbraw/zinc/01/81/69/833018169.db2.gz JDFKKXONUCFRJN-JJXSEGSLSA-N 2 3 324.469 -0.247 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001161477315 833022621 /nfs/dbraw/zinc/02/26/21/833022621.db2.gz DXFULPUXOSSCKG-ZENOOKHLSA-N 2 3 324.425 -0.933 20 0 DBADHP N[C@H](CCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369180 832038765 /nfs/dbraw/zinc/03/87/65/832038765.db2.gz QNAQNHWRRYCCAE-OLZOCXBDSA-N 2 3 313.446 -0.711 20 0 DBADHP COCCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC[NH+](C)CC1 ZINC001160441700 832904951 /nfs/dbraw/zinc/90/49/51/832904951.db2.gz WPMDSXDEPWYDNU-AWEZNQCLSA-N 2 3 310.442 -0.635 20 0 DBADHP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160537789 832913936 /nfs/dbraw/zinc/91/39/36/832913936.db2.gz BKGNMUGDTRAJHO-BFQNTYOBSA-N 2 3 316.409 -0.374 20 0 DBADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160806480 832945681 /nfs/dbraw/zinc/94/56/81/832945681.db2.gz SUDFVFMCCUSJLL-TYNCELHUSA-N 2 3 312.414 -0.946 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245985611 834406019 /nfs/dbraw/zinc/40/60/19/834406019.db2.gz RRTQTTCMVIWLDJ-HMDCTGQHSA-N 2 3 305.422 -0.116 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245985611 834406025 /nfs/dbraw/zinc/40/60/25/834406025.db2.gz RRTQTTCMVIWLDJ-HMDCTGQHSA-N 2 3 305.422 -0.116 20 0 DBADHP CCOC(=O)[C@H]1C[N@H+](C[C@@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059669 834415225 /nfs/dbraw/zinc/41/52/25/834415225.db2.gz LQXSBEIMINNWGU-CZUORRHYSA-N 2 3 311.426 -0.425 20 0 DBADHP CCOC(=O)[C@H]1C[N@@H+](C[C@@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059669 834415229 /nfs/dbraw/zinc/41/52/29/834415229.db2.gz LQXSBEIMINNWGU-CZUORRHYSA-N 2 3 311.426 -0.425 20 0 DBADHP O=C1NCC[C@@]12C[N@@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629937 834443419 /nfs/dbraw/zinc/44/34/19/834443419.db2.gz QVFPWCGWNSRTDB-XHDPSFHLSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C1NCC[C@@]12C[N@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629937 834443424 /nfs/dbraw/zinc/44/34/24/834443424.db2.gz QVFPWCGWNSRTDB-XHDPSFHLSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219737188 979002538 /nfs/dbraw/zinc/00/25/38/979002538.db2.gz QHNOIGSUDXGNRK-OLZOCXBDSA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219737188 979002544 /nfs/dbraw/zinc/00/25/44/979002544.db2.gz QHNOIGSUDXGNRK-OLZOCXBDSA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219741199 979004828 /nfs/dbraw/zinc/00/48/28/979004828.db2.gz CRMILFHVKGYNHD-OLZOCXBDSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(CNC1CC[NH2+]CC1)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794410 979017486 /nfs/dbraw/zinc/01/74/86/979017486.db2.gz YXCXTNIFASMMMW-UHFFFAOYSA-N 2 3 323.485 -0.339 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831596 979026822 /nfs/dbraw/zinc/02/68/22/979026822.db2.gz QATUKUMGEKZGAI-KBXIAJHMSA-N 2 3 312.458 -0.025 20 0 DBADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219850509 979032642 /nfs/dbraw/zinc/03/26/42/979032642.db2.gz WVJLDBQQWQPFOQ-ZQDZILKHSA-N 2 3 322.453 -0.399 20 0 DBADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219850509 979032645 /nfs/dbraw/zinc/03/26/45/979032645.db2.gz WVJLDBQQWQPFOQ-ZQDZILKHSA-N 2 3 322.453 -0.399 20 0 DBADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316865 979165010 /nfs/dbraw/zinc/16/50/10/979165010.db2.gz UHBKUCCFJXUSBQ-OCVGTWLNSA-N 2 3 308.426 -0.787 20 0 DBADHP N[C@@H](CCC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648865 979256043 /nfs/dbraw/zinc/25/60/43/979256043.db2.gz NBDQNBNJTGFYHJ-AWEZNQCLSA-N 2 3 305.426 -0.221 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791164 979285281 /nfs/dbraw/zinc/28/52/81/979285281.db2.gz WVZIRZHBXQVYSO-MELADBBJSA-N 2 3 323.466 -0.132 20 0 DBADHP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC001578417346 1020232702 /nfs/dbraw/zinc/23/27/02/1020232702.db2.gz YKRXMJGVXYVLPY-HNNXBMFYSA-N 2 3 313.490 -0.391 20 0 DBADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161445405 833018235 /nfs/dbraw/zinc/01/82/35/833018235.db2.gz PALRYWIZHGBWDM-IJEWVQPXSA-N 2 3 312.458 -0.511 20 0 DBADHP CN(C)CCN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[NH2+]C1 ZINC001161447219 833018408 /nfs/dbraw/zinc/01/84/08/833018408.db2.gz WHKOCDFUNPNCGC-LZWOXQAQSA-N 2 3 310.442 -0.635 20 0 DBADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161445403 833018533 /nfs/dbraw/zinc/01/85/33/833018533.db2.gz PALRYWIZHGBWDM-IIAWOOMASA-N 2 3 312.458 -0.511 20 0 DBADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161445407 833018672 /nfs/dbraw/zinc/01/86/72/833018672.db2.gz PALRYWIZHGBWDM-OFQRWUPVSA-N 2 3 312.458 -0.511 20 0 DBADHP COCCCN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001172249302 833376652 /nfs/dbraw/zinc/37/66/52/833376652.db2.gz ACSOBYKCFWWVFO-UHFFFAOYSA-N 2 3 318.422 -0.375 20 0 DBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158498232 832118938 /nfs/dbraw/zinc/11/89/38/832118938.db2.gz MXKKJRXQISDGAN-ZDEQEGDKSA-N 2 3 312.414 -0.805 20 0 DBADHP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160538261 832915335 /nfs/dbraw/zinc/91/53/35/832915335.db2.gz GGHIKRSMHJIEJK-QWRGUYRKSA-N 2 3 302.382 -0.764 20 0 DBADHP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C[C@H]1O ZINC001160653162 832931452 /nfs/dbraw/zinc/93/14/52/832931452.db2.gz WXBLHRDMAXBEBN-NWANDNLSSA-N 2 3 310.442 -0.629 20 0 DBADHP [NH3+]CCCOCCOCCOCCCNC[C@@]1(O)CC[NH2+]C1 ZINC001245985231 834406253 /nfs/dbraw/zinc/40/62/53/834406253.db2.gz PMMYAONWOBUZQA-HNNXBMFYSA-N 2 3 319.446 -0.911 20 0 DBADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCC1(O)C[NH2+]C1 ZINC001245985494 834406579 /nfs/dbraw/zinc/40/65/79/834406579.db2.gz UEWXMQUIWPBODQ-UONOGXRCSA-N 2 3 315.364 -0.491 20 0 DBADHP [NH3+]C1([C@@H]2CN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001246037236 834413613 /nfs/dbraw/zinc/41/36/13/834413613.db2.gz FGTXPJVKHHRRFP-HZSPNIEDSA-N 2 3 315.433 -0.139 20 0 DBADHP C[NH2+]CC[C@@H](C)NCCOCCOCCOCCOCC[NH3+] ZINC001246214035 834424647 /nfs/dbraw/zinc/42/46/47/834424647.db2.gz XEFQOKUAQNNKNK-OAHLLOKOSA-N 2 3 321.462 -0.401 20 0 DBADHP O=C1NCC[C@@]12C[N@@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629933 834443542 /nfs/dbraw/zinc/44/35/42/834443542.db2.gz QVFPWCGWNSRTDB-IAQYHMDHSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C1NCC[C@@]12C[N@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629933 834443551 /nfs/dbraw/zinc/44/35/51/834443551.db2.gz QVFPWCGWNSRTDB-IAQYHMDHSA-N 2 3 308.451 -0.755 20 0 DBADHP Nc1cccnc1N(C(=O)[C@H](N)CCC[NH3+])C1CC[NH2+]CC1 ZINC001218695432 978845024 /nfs/dbraw/zinc/84/50/24/978845024.db2.gz WRFMWWJIYRQGCR-CYBMUJFWSA-N 2 3 306.414 -0.185 20 0 DBADHP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1C[NH2+]CC12CNC2 ZINC001219537890 978961294 /nfs/dbraw/zinc/96/12/94/978961294.db2.gz REMRETDKNWLUJI-GYSYKLTISA-N 2 3 314.389 -0.118 20 0 DBADHP C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219553666 978963261 /nfs/dbraw/zinc/96/32/61/978963261.db2.gz FVFBNXSVEOIXNK-STQMWFEESA-N 2 3 313.446 -0.889 20 0 DBADHP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219704028 978997484 /nfs/dbraw/zinc/99/74/84/978997484.db2.gz UQMYJEWXMLPOEY-HNNXBMFYSA-N 2 3 300.406 -0.243 20 0 DBADHP N[C@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CC[NH2+]CC1 ZINC001219743524 979004896 /nfs/dbraw/zinc/00/48/96/979004896.db2.gz GCKMMXJPSQKPTR-KGLIPLIRSA-N 2 3 310.442 -0.269 20 0 DBADHP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219788945 979014567 /nfs/dbraw/zinc/01/45/67/979014567.db2.gz STCCJUJQCHLNLN-ZFWWWQNUSA-N 2 3 317.437 -0.477 20 0 DBADHP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219788943 979015246 /nfs/dbraw/zinc/01/52/46/979015246.db2.gz STCCJUJQCHLNLN-HIFRSBDPSA-N 2 3 317.437 -0.477 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815052 979023936 /nfs/dbraw/zinc/02/39/36/979023936.db2.gz RWLWZXLFHRPYNI-DZKIICNBSA-N 2 3 312.458 -0.166 20 0 DBADHP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001220200862 979133566 /nfs/dbraw/zinc/13/35/66/979133566.db2.gz XKMPHHLMOPBNEC-AWEZNQCLSA-N 2 3 310.442 -0.588 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321214 979167336 /nfs/dbraw/zinc/16/73/36/979167336.db2.gz STRYFSVWQXVSAE-GMXVVIOVSA-N 2 3 302.444 -0.967 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001220799731 979287326 /nfs/dbraw/zinc/28/73/26/979287326.db2.gz GDLQFPMLPQEAQI-IVZWLZJFSA-N 2 3 306.332 -0.548 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803529 979289599 /nfs/dbraw/zinc/28/95/99/979289599.db2.gz IJWHPWHGLSEKQL-VGMNWLOBSA-N 2 3 314.377 -0.338 20 0 DBADHP COCCC1([NH3+])CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221135711 979368978 /nfs/dbraw/zinc/36/89/78/979368978.db2.gz AKXXCAKPIDPOSX-NSHDSACASA-N 2 3 304.460 -0.638 20 0 DBADHP C[NH+](C)CCN(CC[NH+](C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC001578417347 1020233469 /nfs/dbraw/zinc/23/34/69/1020233469.db2.gz YKRXMJGVXYVLPY-OAHLLOKOSA-N 2 3 313.490 -0.391 20 0 DBADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662272436 412173852 /nfs/dbraw/zinc/17/38/52/412173852.db2.gz MVUMCBXEZKMHGG-KGLIPLIRSA-N 2 3 310.442 -0.173 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000866711054 806450344 /nfs/dbraw/zinc/45/03/44/806450344.db2.gz APCHKELZTWHASB-RFQIPJPRSA-N 2 3 322.409 -0.626 20 0 DBADHP Cc1c(C[C@H](CN)C[NH2+]CCCN2CC[NH2+]CC2)cnn1C ZINC000903917054 807420854 /nfs/dbraw/zinc/42/08/54/807420854.db2.gz KFFAQXLVWBLQFE-OAHLLOKOSA-N 2 3 308.474 -0.269 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444511 833017081 /nfs/dbraw/zinc/01/70/81/833017081.db2.gz IYASLTCRXXNZMN-BBRMVZONSA-N 2 3 323.441 -0.363 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444512 833017473 /nfs/dbraw/zinc/01/74/73/833017473.db2.gz IYASLTCRXXNZMN-CJNGLKHVSA-N 2 3 323.441 -0.363 20 0 DBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157323222 832033282 /nfs/dbraw/zinc/03/32/82/832033282.db2.gz FGPCKJPDSZUVLG-STQMWFEESA-N 2 3 315.462 -0.595 20 0 DBADHP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160538262 832915354 /nfs/dbraw/zinc/91/53/54/832915354.db2.gz GGHIKRSMHJIEJK-WDEREUQCSA-N 2 3 302.382 -0.764 20 0 DBADHP [NH3+]CCCOCCOCCOCCCNC[C@]1(O)CC[NH2+]C1 ZINC001245985261 834406054 /nfs/dbraw/zinc/40/60/54/834406054.db2.gz PMMYAONWOBUZQA-OAHLLOKOSA-N 2 3 319.446 -0.911 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCN1CCC([NH3+])CC1 ZINC001246007934 834409015 /nfs/dbraw/zinc/40/90/15/834409015.db2.gz MJSCZGHSROQDPO-DLBZAZTESA-N 2 3 306.454 -0.070 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H](O)C1CC[NH2+]CC1 ZINC001245999872 834409502 /nfs/dbraw/zinc/40/95/02/834409502.db2.gz GDINIOAIDQKJDD-YESZJQIVSA-N 2 3 307.438 -0.133 20 0 DBADHP [NH3+]C[C@]1(O)CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246018645 834410875 /nfs/dbraw/zinc/41/08/75/834410875.db2.gz FMGHFVNDUJWRDB-DZGCQCFKSA-N 2 3 301.431 -0.972 20 0 DBADHP [NH3+]C1([C@@H]2CN(C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001246037215 834412862 /nfs/dbraw/zinc/41/28/62/834412862.db2.gz FGTXPJVKHHRRFP-BFHYXJOUSA-N 2 3 315.433 -0.139 20 0 DBADHP COC(=O)C1C[C@@H]2CC(N[C@@H](C)CN3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246081372 834415850 /nfs/dbraw/zinc/41/58/50/834415850.db2.gz SCYGUOJWPZHCDD-AKJSJKFASA-N 2 3 324.469 -0.058 20 0 DBADHP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219609787 978978586 /nfs/dbraw/zinc/97/85/86/978978586.db2.gz DUZSHLPFPGPGNA-JLLWLGSASA-N 2 3 306.332 -0.404 20 0 DBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219737189 979002935 /nfs/dbraw/zinc/00/29/35/979002935.db2.gz QHNOIGSUDXGNRK-QWHCGFSZSA-N 2 3 308.426 -0.645 20 0 DBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219737189 979002940 /nfs/dbraw/zinc/00/29/40/979002940.db2.gz QHNOIGSUDXGNRK-QWHCGFSZSA-N 2 3 308.426 -0.645 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743527 979007464 /nfs/dbraw/zinc/00/74/64/979007464.db2.gz GDJBUTYWVKGVKS-NEPJUHHUSA-N 2 3 316.471 -0.577 20 0 DBADHP COC(=O)C1(NC(=O)[C@@H](N)CCCC[NH+](C)C)CC[NH2+]CC1 ZINC001220001730 979058918 /nfs/dbraw/zinc/05/89/18/979058918.db2.gz WITJGIXPTKIJLN-LBPRGKRZSA-N 2 3 314.430 -0.543 20 0 DBADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316863 979164078 /nfs/dbraw/zinc/16/40/78/979164078.db2.gz UHBKUCCFJXUSBQ-BFJAYTPKSA-N 2 3 308.426 -0.787 20 0 DBADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])O1 ZINC001220481993 979209653 /nfs/dbraw/zinc/20/96/53/979209653.db2.gz XTFKPCKGBOACIE-SFTQSGBHSA-N 2 3 302.419 -0.716 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220515949 979220237 /nfs/dbraw/zinc/22/02/37/979220237.db2.gz MIALHJODBKPBJD-CQSZACIVSA-N 2 3 311.474 -0.543 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220515949 979220243 /nfs/dbraw/zinc/22/02/43/979220243.db2.gz MIALHJODBKPBJD-CQSZACIVSA-N 2 3 311.474 -0.543 20 0 DBADHP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220515949 979220250 /nfs/dbraw/zinc/22/02/50/979220250.db2.gz MIALHJODBKPBJD-CQSZACIVSA-N 2 3 311.474 -0.543 20 0 DBADHP CCOC(=O)C1=C(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)CCNC1 ZINC001220521812 979224636 /nfs/dbraw/zinc/22/46/36/979224636.db2.gz PJJONLHKELNPCC-ZDUSSCGKSA-N 2 3 312.414 -0.370 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220801441 979291146 /nfs/dbraw/zinc/29/11/46/979291146.db2.gz ZUKZZWFHDJWIFR-PRULPYPASA-N 2 3 320.359 -0.158 20 0 DBADHP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221121514 979370125 /nfs/dbraw/zinc/37/01/25/979370125.db2.gz IFCDMGTYSIACDF-AWEZNQCLSA-N 2 3 315.421 -0.415 20 0 DBADHP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001221407446 979417835 /nfs/dbraw/zinc/41/78/35/979417835.db2.gz YOMQOKISTCCOIW-KBPBESRZSA-N 2 3 304.394 -0.380 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000565422024 284095212 /nfs/dbraw/zinc/09/52/12/284095212.db2.gz KSDUSPBSQZMZQH-BZSNNMDCSA-N 2 3 318.465 -0.103 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000565422024 284095214 /nfs/dbraw/zinc/09/52/14/284095214.db2.gz KSDUSPBSQZMZQH-BZSNNMDCSA-N 2 3 318.465 -0.103 20 0 DBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC000903783699 807412643 /nfs/dbraw/zinc/41/26/43/807412643.db2.gz AKWATOMPBLBPDP-NHIYQJMISA-N 2 3 311.426 -0.345 20 0 DBADHP Cc1c(C[C@@H](CN)C[NH2+]CCCN2CC[NH2+]CC2)cnn1C ZINC000903917052 807421199 /nfs/dbraw/zinc/42/11/99/807421199.db2.gz KFFAQXLVWBLQFE-HNNXBMFYSA-N 2 3 308.474 -0.269 20 0 DBADHP Cn1cncc1C[C@H](N)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161443331 833017495 /nfs/dbraw/zinc/01/74/95/833017495.db2.gz QGCPEDOXHJOKHY-HIFRSBDPSA-N 2 3 322.457 -0.568 20 0 DBADHP CN(C)CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447720 833018084 /nfs/dbraw/zinc/01/80/84/833018084.db2.gz YPNUGMUCGQQLKJ-GOEBONIOSA-N 2 3 312.458 -0.367 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001161449006 833018656 /nfs/dbraw/zinc/01/86/56/833018656.db2.gz JDFKKXONUCFRJN-JONQDZQNSA-N 2 3 324.469 -0.247 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001161477313 833021728 /nfs/dbraw/zinc/02/17/28/833021728.db2.gz DXFULPUXOSSCKG-WWGRRREGSA-N 2 3 324.425 -0.933 20 0 DBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001158498692 832118494 /nfs/dbraw/zinc/11/84/94/832118494.db2.gz SLPUWUGJXQUGJK-IGQOVBAYSA-N 2 3 324.425 -0.935 20 0 DBADHP [NH3+]C1([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2CF)CC1 ZINC001158566655 832122423 /nfs/dbraw/zinc/12/24/23/832122423.db2.gz CHUKRUQLJUYTLB-RGCMKSIDSA-N 2 3 310.417 -0.279 20 0 DBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001159135724 832160535 /nfs/dbraw/zinc/16/05/35/832160535.db2.gz YFULCNWMUHVSIP-CHWSQXEVSA-N 2 3 308.430 -0.531 20 0 DBADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001302 832965094 /nfs/dbraw/zinc/96/50/94/832965094.db2.gz XYIKRFGYAAPMIL-KGLIPLIRSA-N 2 3 322.453 -0.424 20 0 DBADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001302 832965099 /nfs/dbraw/zinc/96/50/99/832965099.db2.gz XYIKRFGYAAPMIL-KGLIPLIRSA-N 2 3 322.453 -0.424 20 0 DBADHP [NH3+]C[C@]1(O)CCCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246018664 834409910 /nfs/dbraw/zinc/40/99/10/834409910.db2.gz FMGHFVNDUJWRDB-UKRRQHHQSA-N 2 3 301.431 -0.972 20 0 DBADHP C[NH2+]CC[C@H](C)NCCOCCOCCOCCOCC[NH3+] ZINC001246214032 834424288 /nfs/dbraw/zinc/42/42/88/834424288.db2.gz XEFQOKUAQNNKNK-HNNXBMFYSA-N 2 3 321.462 -0.401 20 0 DBADHP C[C@H](CC(=O)N1CCOCC1)NCCC[NH2+]CCCC[NH3+] ZINC001246457602 834435649 /nfs/dbraw/zinc/43/56/49/834435649.db2.gz ORLOKUMZODXAAG-CQSZACIVSA-N 2 3 300.447 -0.068 20 0 DBADHP O=C1NCC[C@]12C[N@@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629930 834442882 /nfs/dbraw/zinc/44/28/82/834442882.db2.gz QVFPWCGWNSRTDB-ABAIWWIYSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C1NCC[C@]12C[N@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629930 834442887 /nfs/dbraw/zinc/44/28/87/834442887.db2.gz QVFPWCGWNSRTDB-ABAIWWIYSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219116998 978879100 /nfs/dbraw/zinc/87/91/00/978879100.db2.gz UXRINZGDIRABRJ-HNNXBMFYSA-N 2 3 315.421 -0.156 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705850 978998278 /nfs/dbraw/zinc/99/82/78/978998278.db2.gz QNIZXLZIJSHTRT-AWEZNQCLSA-N 2 3 308.451 -0.032 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743528 979006067 /nfs/dbraw/zinc/00/60/67/979006067.db2.gz GDJBUTYWVKGVKS-RYUDHWBXSA-N 2 3 316.471 -0.577 20 0 DBADHP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219801004 979018246 /nfs/dbraw/zinc/01/82/46/979018246.db2.gz QGOSNEVWOCOVLA-KBPBESRZSA-N 2 3 322.453 -0.255 20 0 DBADHP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219800193 979018780 /nfs/dbraw/zinc/01/87/80/979018780.db2.gz HONPJPWPCCJPNX-UMVBOHGHSA-N 2 3 308.426 -0.930 20 0 DBADHP Cc1nc(N)ccc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220071749 979087569 /nfs/dbraw/zinc/08/75/69/979087569.db2.gz PMSPHDYVKQDQDU-ZDUSSCGKSA-N 2 3 306.414 -0.661 20 0 DBADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220315593 979165119 /nfs/dbraw/zinc/16/51/19/979165119.db2.gz FVGLKWYPADECNM-ZQIUZPCESA-N 2 3 322.453 -0.112 20 0 DBADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220315593 979165125 /nfs/dbraw/zinc/16/51/25/979165125.db2.gz FVGLKWYPADECNM-ZQIUZPCESA-N 2 3 322.453 -0.112 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321217 979167695 /nfs/dbraw/zinc/16/76/95/979167695.db2.gz STRYFSVWQXVSAE-NTZNESFSSA-N 2 3 302.444 -0.967 20 0 DBADHP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220790355 979285020 /nfs/dbraw/zinc/28/50/20/979285020.db2.gz QTUQNMDVMABHRT-RRFJBIMHSA-N 2 3 315.421 -0.343 20 0 DBADHP O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220801432 979291810 /nfs/dbraw/zinc/29/18/10/979291810.db2.gz ZUKZZWFHDJWIFR-HNCHTBHHSA-N 2 3 320.359 -0.158 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937401 979332203 /nfs/dbraw/zinc/33/22/03/979332203.db2.gz QQJDFHUWKDSMET-KBPBESRZSA-N 2 3 300.447 -0.023 20 0 DBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CCCC[NH3+])NC ZINC001221390673 979411935 /nfs/dbraw/zinc/41/19/35/979411935.db2.gz SWHZFJKSGYSYEJ-LBPRGKRZSA-N 3 3 300.451 -0.233 20 0 DBADHP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001221404211 979417788 /nfs/dbraw/zinc/41/77/88/979417788.db2.gz LHTXURJMWVEJMF-STQMWFEESA-N 2 3 312.439 -0.170 20 0 DBADHP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001221407454 979419623 /nfs/dbraw/zinc/41/96/23/979419623.db2.gz YOMQOKISTCCOIW-ZIAGYGMSSA-N 2 3 304.394 -0.380 20 0 DBADHP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C1CNC1 ZINC000722215023 665365227 /nfs/dbraw/zinc/36/52/27/665365227.db2.gz SHYPHTBSNSXASR-UHFFFAOYSA-N 2 3 306.476 -0.507 20 0 DBADHP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000877143183 806825063 /nfs/dbraw/zinc/82/50/63/806825063.db2.gz HCSFWBQWCGAULE-KFWWJZLASA-N 2 3 312.458 -0.437 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001331756322 807826875 /nfs/dbraw/zinc/82/68/75/807826875.db2.gz RWWLFHSGCAPLQJ-LSDHHAIUSA-N 2 3 323.441 -0.851 20 0 DBADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161306382 833001463 /nfs/dbraw/zinc/00/14/63/833001463.db2.gz JTSADDCXFMSQNG-CQSZACIVSA-N 2 3 315.421 -0.152 20 0 DBADHP CN(C)CCN(C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161445409 833018104 /nfs/dbraw/zinc/01/81/04/833018104.db2.gz PALRYWIZHGBWDM-SQWLQELKSA-N 2 3 312.458 -0.511 20 0 DBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157448803 832043270 /nfs/dbraw/zinc/04/32/70/832043270.db2.gz KLFWWFTYYKSOSY-LBPRGKRZSA-N 2 3 314.430 -0.284 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179262 832096675 /nfs/dbraw/zinc/09/66/75/832096675.db2.gz IZEYKIJDGRGAEU-QLFBSQMISA-N 2 3 312.458 -0.071 20 0 DBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001159135725 832159852 /nfs/dbraw/zinc/15/98/52/832159852.db2.gz YFULCNWMUHVSIP-OLZOCXBDSA-N 2 3 308.430 -0.531 20 0 DBADHP O=C1NCC[C@]12C[N@@H+](C1CCC3(C[NH2+]C3)CC1)CC21CNC1 ZINC001246626696 834442963 /nfs/dbraw/zinc/44/29/63/834442963.db2.gz KJZBEMYJCMKKLX-KRWDZBQOSA-N 2 3 304.438 -0.070 20 0 DBADHP O=C1NCC[C@]12C[N@H+](C1CCC3(C[NH2+]C3)CC1)CC21CNC1 ZINC001246626696 834442967 /nfs/dbraw/zinc/44/29/67/834442967.db2.gz KJZBEMYJCMKKLX-KRWDZBQOSA-N 2 3 304.438 -0.070 20 0 DBADHP COC(=O)C1C[C@@H]2CC(N(C)CCN3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246869099 834460162 /nfs/dbraw/zinc/46/01/62/834460162.db2.gz FCRRDDTVBRWONM-IRHLINNNSA-N 2 3 324.469 -0.104 20 0 DBADHP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]CC34CNC4)sc2C1 ZINC001218534392 978829297 /nfs/dbraw/zinc/82/92/97/978829297.db2.gz WYSXBBOPKBSNKQ-RKDXNWHRSA-N 2 3 307.423 -0.293 20 0 DBADHP N[C@@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CC[NH2+]CC1 ZINC001219743525 979005803 /nfs/dbraw/zinc/00/58/03/979005803.db2.gz GCKMMXJPSQKPTR-UONOGXRCSA-N 2 3 310.442 -0.269 20 0 DBADHP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219788944 979015170 /nfs/dbraw/zinc/01/51/70/979015170.db2.gz STCCJUJQCHLNLN-UKRRQHHQSA-N 2 3 317.437 -0.477 20 0 DBADHP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219801007 979018628 /nfs/dbraw/zinc/01/86/28/979018628.db2.gz QGOSNEVWOCOVLA-ZIAGYGMSSA-N 2 3 322.453 -0.255 20 0 DBADHP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001220200863 979132670 /nfs/dbraw/zinc/13/26/70/979132670.db2.gz XKMPHHLMOPBNEC-CQSZACIVSA-N 2 3 310.442 -0.588 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220583781 979243887 /nfs/dbraw/zinc/24/38/87/979243887.db2.gz YKPRFDRLSPQHNJ-GFCCVEGCSA-N 2 3 312.414 -0.789 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220583781 979243902 /nfs/dbraw/zinc/24/39/02/979243902.db2.gz YKPRFDRLSPQHNJ-GFCCVEGCSA-N 2 3 312.414 -0.789 20 0 DBADHP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220743480 979275845 /nfs/dbraw/zinc/27/58/45/979275845.db2.gz DRZGVZDSSMRCOM-OAHLLOKOSA-N 2 3 315.421 -0.024 20 0 DBADHP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220790352 979285382 /nfs/dbraw/zinc/28/53/82/979285382.db2.gz QTUQNMDVMABHRT-KKUMJFAQSA-N 2 3 315.421 -0.343 20 0 DBADHP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001220799733 979288043 /nfs/dbraw/zinc/28/80/43/979288043.db2.gz GDLQFPMLPQEAQI-LPEHRKFASA-N 2 3 306.332 -0.548 20 0 DBADHP N[C@H](C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)C1CC[NH2+]CC1 ZINC001220930331 979324856 /nfs/dbraw/zinc/32/48/56/979324856.db2.gz OEXLKVYDDSZTFK-YDHLFZDLSA-N 2 3 310.442 -0.189 20 0 DBADHP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001221404210 979419701 /nfs/dbraw/zinc/41/97/01/979419701.db2.gz LHTXURJMWVEJMF-QWHCGFSZSA-N 2 3 312.439 -0.170 20 0 DBADHP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001448621637 1009830977 /nfs/dbraw/zinc/83/09/77/1009830977.db2.gz WKIKEPZHSGEFJN-KBPBESRZSA-N 2 3 308.426 -0.203 20 0 DBADHP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580075250 332928822 /nfs/dbraw/zinc/92/88/22/332928822.db2.gz ZKJOXCKREVGZPR-OLZOCXBDSA-N 2 3 315.462 -0.820 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000866711057 806451074 /nfs/dbraw/zinc/45/10/74/806451074.db2.gz APCHKELZTWHASB-ZOBORPQBSA-N 2 3 322.409 -0.626 20 0 DBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517455 807189498 /nfs/dbraw/zinc/18/94/98/807189498.db2.gz GPYVPFUTLJDFAN-GJZGRUSLSA-N 2 3 309.458 -0.837 20 0 DBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517455 807189502 /nfs/dbraw/zinc/18/95/02/807189502.db2.gz GPYVPFUTLJDFAN-GJZGRUSLSA-N 2 3 309.458 -0.837 20 0 DBADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCCN1CC[NH2+]CC1 ZINC000903917913 807421105 /nfs/dbraw/zinc/42/11/05/807421105.db2.gz OPRBWWWVRIOAHQ-CQSZACIVSA-N 2 3 307.446 -0.413 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923414697 807665790 /nfs/dbraw/zinc/66/57/90/807665790.db2.gz NFHTYCUUWUFUPL-ZOBORPQBSA-N 2 3 322.409 -0.768 20 0 DBADHP N[C@@H]1C[C@]2(C(=O)N3CC[C@H](N4CCC([NH3+])CC4)C3)CC[C@H]1[NH2+]2 ZINC001161379359 833010101 /nfs/dbraw/zinc/01/01/01/833010101.db2.gz OGRXIECLSUKFDD-NHIYQJMISA-N 2 3 307.442 -0.768 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001161444444 833017160 /nfs/dbraw/zinc/01/71/60/833017160.db2.gz IAROMNYEGFYTDF-LXTVHRRPSA-N 2 3 310.442 -0.495 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC001161445398 833017821 /nfs/dbraw/zinc/01/78/21/833017821.db2.gz OZIQGAIWVAETRZ-APIJFGDWSA-N 2 3 310.442 -0.637 20 0 DBADHP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC12COC2 ZINC001161509885 833028885 /nfs/dbraw/zinc/02/88/85/833028885.db2.gz MHRYUCOLYFDOAS-DZGCQCFKSA-N 2 3 322.453 -0.364 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579656 832123699 /nfs/dbraw/zinc/12/36/99/832123699.db2.gz WLJQFCJGVSXSEQ-VWYCJHECSA-N 2 3 304.435 -0.459 20 0 DBADHP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160537793 832913437 /nfs/dbraw/zinc/91/34/37/832913437.db2.gz BKGNMUGDTRAJHO-XHBSWPGZSA-N 2 3 316.409 -0.374 20 0 DBADHP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001161174949 832988129 /nfs/dbraw/zinc/98/81/29/832988129.db2.gz HHORVHGIDNJXQU-UPJWGTAASA-N 2 3 300.472 -0.194 20 0 DBADHP CN(CCC[NH3+])CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238614503 834358011 /nfs/dbraw/zinc/35/80/11/834358011.db2.gz LOYIZVDBXNRLAH-UHFFFAOYSA-N 2 3 306.476 -0.424 20 0 DBADHP CCOC(=O)CC1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246322569 834430308 /nfs/dbraw/zinc/43/03/08/834430308.db2.gz ATWQFRCTQAJQKC-CYBMUJFWSA-N 2 3 310.442 -0.255 20 0 DBADHP C(C[NH+]1CCCC1)N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246861107 834458106 /nfs/dbraw/zinc/45/81/06/834458106.db2.gz SEFFUAYUVXDPGT-INIZCTEOSA-N 2 3 307.486 -0.206 20 0 DBADHP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010969 834469368 /nfs/dbraw/zinc/46/93/68/834469368.db2.gz XCADUMFFCXCPIQ-ZIAGYGMSSA-N 2 3 323.437 -0.018 20 0 DBADHP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010969 834469372 /nfs/dbraw/zinc/46/93/72/834469372.db2.gz XCADUMFFCXCPIQ-ZIAGYGMSSA-N 2 3 323.437 -0.018 20 0 DBADHP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010959 834469710 /nfs/dbraw/zinc/46/97/10/834469710.db2.gz XCADUMFFCXCPIQ-KBPBESRZSA-N 2 3 323.437 -0.018 20 0 DBADHP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010959 834469716 /nfs/dbraw/zinc/46/97/16/834469716.db2.gz XCADUMFFCXCPIQ-KBPBESRZSA-N 2 3 323.437 -0.018 20 0 DBADHP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)sc2C1 ZINC001218534389 978830165 /nfs/dbraw/zinc/83/01/65/978830165.db2.gz WYSXBBOPKBSNKQ-IUCAKERBSA-N 2 3 307.423 -0.293 20 0 DBADHP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218726607 978848451 /nfs/dbraw/zinc/84/84/51/978848451.db2.gz NPHFOAULBNVKEE-CHWSQXEVSA-N 2 3 317.393 -0.430 20 0 DBADHP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219537892 978960876 /nfs/dbraw/zinc/96/08/76/978960876.db2.gz REMRETDKNWLUJI-SUNKGSAMSA-N 2 3 314.389 -0.118 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739367 979004376 /nfs/dbraw/zinc/00/43/76/979004376.db2.gz MTTLRSQWNHRDBX-KGLIPLIRSA-N 2 3 312.458 -0.023 20 0 DBADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219741485 979004855 /nfs/dbraw/zinc/00/48/55/979004855.db2.gz LYXOSTOCQQEIAW-CKEIUWERSA-N 2 3 322.453 -0.397 20 0 DBADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]CC12CNC2 ZINC001219741200 979005309 /nfs/dbraw/zinc/00/53/09/979005309.db2.gz CRMILFHVKGYNHD-QWHCGFSZSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219801005 979018991 /nfs/dbraw/zinc/01/89/91/979018991.db2.gz QGOSNEVWOCOVLA-KGLIPLIRSA-N 2 3 322.453 -0.255 20 0 DBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852404 979032804 /nfs/dbraw/zinc/03/28/04/979032804.db2.gz RAXQUGILLFKLFP-ZQDZILKHSA-N 2 3 312.458 -0.214 20 0 DBADHP N=c1sc2c(n1C(=O)[C@H]1C[NH2+]CC13CNC3)CC[C@H]([NH3+])C2 ZINC001220022324 979066293 /nfs/dbraw/zinc/06/62/93/979066293.db2.gz FOYRBEKYDPTPPY-DTWKUNHWSA-N 2 3 307.423 -0.706 20 0 DBADHP Cc1nc(N)ccc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220071748 979085646 /nfs/dbraw/zinc/08/56/46/979085646.db2.gz PMSPHDYVKQDQDU-CYBMUJFWSA-N 2 3 306.414 -0.661 20 0 DBADHP COCCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220200302 979134006 /nfs/dbraw/zinc/13/40/06/979134006.db2.gz GQTIMDCKWRMTQT-RHSMWYFYSA-N 2 3 324.469 -0.197 20 0 DBADHP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220316864 979164268 /nfs/dbraw/zinc/16/42/68/979164268.db2.gz UHBKUCCFJXUSBQ-LUYZLQTOSA-N 2 3 308.426 -0.787 20 0 DBADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])O1 ZINC001220481992 979210558 /nfs/dbraw/zinc/21/05/58/979210558.db2.gz XTFKPCKGBOACIE-FMCLSXCISA-N 2 3 302.419 -0.716 20 0 DBADHP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220583691 979242572 /nfs/dbraw/zinc/24/25/72/979242572.db2.gz USHYGOORLRWERN-LBPRGKRZSA-N 2 3 302.419 -0.604 20 0 DBADHP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220790357 979284888 /nfs/dbraw/zinc/28/48/88/979284888.db2.gz QTUQNMDVMABHRT-ZNMIVQPWSA-N 2 3 315.421 -0.343 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803527 979290956 /nfs/dbraw/zinc/29/09/56/979290956.db2.gz IJWHPWHGLSEKQL-CIUDSAMLSA-N 2 3 314.377 -0.338 20 0 DBADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]CC23CNC3)C2COC2)CC1 ZINC001220929848 979327584 /nfs/dbraw/zinc/32/75/84/979327584.db2.gz HGIDQXGUPMXBIW-OBJOEFQTSA-N 2 3 308.426 -0.707 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220937416 979332733 /nfs/dbraw/zinc/33/27/33/979332733.db2.gz QUZDAPNIONZJOE-ZBFHGGJFSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220937416 979332745 /nfs/dbraw/zinc/33/27/45/979332745.db2.gz QUZDAPNIONZJOE-ZBFHGGJFSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220937416 979332759 /nfs/dbraw/zinc/33/27/59/979332759.db2.gz QUZDAPNIONZJOE-ZBFHGGJFSA-N 2 3 324.469 -0.055 20 0 DBADHP COCCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221134121 979368620 /nfs/dbraw/zinc/36/86/20/979368620.db2.gz LUPAHLGQDIPDCL-CZUORRHYSA-N 2 3 310.442 -0.458 20 0 DBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221190339 979381134 /nfs/dbraw/zinc/38/11/34/979381134.db2.gz JQMCWDLIPIAUBZ-STQMWFEESA-N 2 3 316.446 -0.121 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000866711055 806450771 /nfs/dbraw/zinc/45/07/71/806450771.db2.gz APCHKELZTWHASB-XDQVBPFNSA-N 2 3 322.409 -0.626 20 0 DBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517460 807189367 /nfs/dbraw/zinc/18/93/67/807189367.db2.gz GPYVPFUTLJDFAN-LSDHHAIUSA-N 2 3 309.458 -0.837 20 0 DBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517460 807189371 /nfs/dbraw/zinc/18/93/71/807189371.db2.gz GPYVPFUTLJDFAN-LSDHHAIUSA-N 2 3 309.458 -0.837 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923414692 807666311 /nfs/dbraw/zinc/66/63/11/807666311.db2.gz NFHTYCUUWUFUPL-XDQVBPFNSA-N 2 3 322.409 -0.768 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001161444443 833017408 /nfs/dbraw/zinc/01/74/08/833017408.db2.gz IAROMNYEGFYTDF-BYNSBNAKSA-N 2 3 310.442 -0.495 20 0 DBADHP C[NH+](C)CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161449967 833017861 /nfs/dbraw/zinc/01/78/61/833017861.db2.gz WTUFAOVIJLAJJZ-STQMWFEESA-N 3 3 317.503 -0.852 20 0 DBADHP C[NH+](C)CCN(C(=O)c1[nH]nc2c1CNCC2)[C@H]1CCC[NH2+]C1 ZINC001161452443 833018035 /nfs/dbraw/zinc/01/80/35/833018035.db2.gz RAOFYZWFCVSBKE-LBPRGKRZSA-N 2 3 320.441 -0.189 20 0 DBADHP CN(C)CCN(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[NH2+]C1 ZINC001161445400 833018133 /nfs/dbraw/zinc/01/81/33/833018133.db2.gz OZIQGAIWVAETRZ-LJISPDSOSA-N 2 3 310.442 -0.637 20 0 DBADHP CN(C)CCN(C(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)[C@@H]1CCC[NH2+]C1 ZINC001161446302 833018201 /nfs/dbraw/zinc/01/82/01/833018201.db2.gz RVEGNZLKTWWKBK-ZJIFWQFVSA-N 2 3 324.469 -0.104 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579655 832123605 /nfs/dbraw/zinc/12/36/05/832123605.db2.gz WLJQFCJGVSXSEQ-MXWKQRLJSA-N 2 3 304.435 -0.459 20 0 DBADHP CC(C)N(C(=O)[C@H](N)CCC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158759960 832133430 /nfs/dbraw/zinc/13/34/30/832133430.db2.gz VKJYMPANTBTKRI-CYBMUJFWSA-N 2 3 320.441 -0.028 20 0 DBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291775 832802866 /nfs/dbraw/zinc/80/28/66/832802866.db2.gz SPJKYSNOQNOCSU-CQSZACIVSA-N 2 3 304.438 -0.260 20 0 DBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291775 832802874 /nfs/dbraw/zinc/80/28/74/832802874.db2.gz SPJKYSNOQNOCSU-CQSZACIVSA-N 2 3 304.438 -0.260 20 0 DBADHP C[NH+](C)CCCC[C@H](N)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915718 832959850 /nfs/dbraw/zinc/95/98/50/832959850.db2.gz KKJDEKJIQJZRED-ZDUSSCGKSA-N 2 3 306.414 -0.159 20 0 DBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999284 832963823 /nfs/dbraw/zinc/96/38/23/832963823.db2.gz AMQNHQUVTLYPGE-KBPBESRZSA-N 2 3 312.458 -0.239 20 0 DBADHP O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001238243646 834350631 /nfs/dbraw/zinc/35/06/31/834350631.db2.gz UZYXEOSLYXKIMG-RYUDHWBXSA-N 2 3 302.444 -0.858 20 0 DBADHP CCOC(=O)[C@@]12CN(C[C@]3(O)CC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001246030600 834412300 /nfs/dbraw/zinc/41/23/00/834412300.db2.gz AHHKYLLUNWPQOB-BPUTZDHNSA-N 2 3 311.426 -0.425 20 0 DBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219813401 979023780 /nfs/dbraw/zinc/02/37/80/979023780.db2.gz SERLOLLLGFFQMO-GUTXKFCHSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219813401 979023787 /nfs/dbraw/zinc/02/37/87/979023787.db2.gz SERLOLLLGFFQMO-GUTXKFCHSA-N 2 3 308.426 -0.787 20 0 DBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219831297 979026720 /nfs/dbraw/zinc/02/67/20/979026720.db2.gz FTWPJGMFDZOJTR-MQYQWHSLSA-N 2 3 308.426 -0.646 20 0 DBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219831297 979026727 /nfs/dbraw/zinc/02/67/27/979026727.db2.gz FTWPJGMFDZOJTR-MQYQWHSLSA-N 2 3 308.426 -0.646 20 0 DBADHP N=c1sc2c(n1C(=O)[C@@H]1C[NH2+]CC13CNC3)CC[C@H]([NH3+])C2 ZINC001220022326 979065067 /nfs/dbraw/zinc/06/50/67/979065067.db2.gz FOYRBEKYDPTPPY-IUCAKERBSA-N 2 3 307.423 -0.706 20 0 DBADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]CC23CNC3)C2COC2)CC1 ZINC001220929849 979325668 /nfs/dbraw/zinc/32/56/68/979325668.db2.gz HGIDQXGUPMXBIW-YRGRVCCFSA-N 2 3 308.426 -0.707 20 0 DBADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2COC2)CC1 ZINC001220930034 979326540 /nfs/dbraw/zinc/32/65/40/979326540.db2.gz KWFKQVXHLIBBRZ-VMUDFCTBSA-N 2 3 322.453 -0.317 20 0 DBADHP N[C@@H](C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)C1CC[NH2+]CC1 ZINC001220930330 979326649 /nfs/dbraw/zinc/32/66/49/979326649.db2.gz OEXLKVYDDSZTFK-UMVBOHGHSA-N 2 3 310.442 -0.189 20 0 DBADHP N[C@@H](CCC[NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114009 979367547 /nfs/dbraw/zinc/36/75/47/979367547.db2.gz JNIVEEPYJRDMGI-ZDUSSCGKSA-N 2 3 305.426 -0.115 20 0 DBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221347707 979407119 /nfs/dbraw/zinc/40/71/19/979407119.db2.gz SEYPLVWFRSTLDM-STQMWFEESA-N 2 3 313.446 -0.711 20 0 DBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517458 807189337 /nfs/dbraw/zinc/18/93/37/807189337.db2.gz GPYVPFUTLJDFAN-HUUCEWRRSA-N 2 3 309.458 -0.837 20 0 DBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001326517458 807189339 /nfs/dbraw/zinc/18/93/39/807189339.db2.gz GPYVPFUTLJDFAN-HUUCEWRRSA-N 2 3 309.458 -0.837 20 0 DBADHP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161306381 833000445 /nfs/dbraw/zinc/00/04/45/833000445.db2.gz JTSADDCXFMSQNG-AWEZNQCLSA-N 2 3 315.421 -0.152 20 0 DBADHP O=C(N1CCO[C@H](C[NH+]2CCCC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161382315 833010956 /nfs/dbraw/zinc/01/09/56/833010956.db2.gz XIDZWTGAKLAPAZ-BFYDXBDKSA-N 2 3 322.453 -0.491 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444514 833017127 /nfs/dbraw/zinc/01/71/27/833017127.db2.gz IYASLTCRXXNZMN-XJKSGUPXSA-N 2 3 323.441 -0.363 20 0 DBADHP C[NH+](C)CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CCC[NH2+]C1 ZINC001161445084 833017879 /nfs/dbraw/zinc/01/78/79/833017879.db2.gz NDXXOBKAWUQBPU-HLLBOEOZSA-N 3 3 323.485 -0.672 20 0 DBADHP CN(C)CCN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[NH2+]C1 ZINC001161447216 833018372 /nfs/dbraw/zinc/01/83/72/833018372.db2.gz WHKOCDFUNPNCGC-DZKIICNBSA-N 2 3 310.442 -0.635 20 0 DBADHP CN(C)CCN(C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC001161446332 833018588 /nfs/dbraw/zinc/01/85/88/833018588.db2.gz SEEDFSQVIBCLDN-FRRDWIJNSA-N 2 3 309.414 -0.897 20 0 DBADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157720300 832058525 /nfs/dbraw/zinc/05/85/25/832058525.db2.gz FTLHMZOIQVLNFL-KBPBESRZSA-N 2 3 300.447 -0.071 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579653 832123859 /nfs/dbraw/zinc/12/38/59/832123859.db2.gz WLJQFCJGVSXSEQ-AXFHLTTASA-N 2 3 304.435 -0.459 20 0 DBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001159132866 832158453 /nfs/dbraw/zinc/15/84/53/832158453.db2.gz FBJYQBSTPOGMPD-KBPBESRZSA-N 2 3 322.457 -0.141 20 0 DBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001159132867 832158649 /nfs/dbraw/zinc/15/86/49/832158649.db2.gz FBJYQBSTPOGMPD-KGLIPLIRSA-N 2 3 322.457 -0.141 20 0 DBADHP CN(C)CCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031622 832866733 /nfs/dbraw/zinc/86/67/33/832866733.db2.gz ZNMVNIMWTVPDOH-QGZVFWFLSA-N 2 3 324.469 -0.149 20 0 DBADHP CN(C)CCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031622 832866743 /nfs/dbraw/zinc/86/67/43/832866743.db2.gz ZNMVNIMWTVPDOH-QGZVFWFLSA-N 2 3 324.469 -0.149 20 0 DBADHP C[C@@H](CC(=O)N1CCOCC1)NCCC[NH2+]CCCC[NH3+] ZINC001246457595 834435219 /nfs/dbraw/zinc/43/52/19/834435219.db2.gz ORLOKUMZODXAAG-AWEZNQCLSA-N 2 3 300.447 -0.068 20 0 DBADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219850508 979032247 /nfs/dbraw/zinc/03/22/47/979032247.db2.gz WVJLDBQQWQPFOQ-BYNSBNAKSA-N 2 3 322.453 -0.399 20 0 DBADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219850508 979032254 /nfs/dbraw/zinc/03/22/54/979032254.db2.gz WVJLDBQQWQPFOQ-BYNSBNAKSA-N 2 3 322.453 -0.399 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313054 979162418 /nfs/dbraw/zinc/16/24/18/979162418.db2.gz JESABIBPUJPFPX-JTQLQIEISA-N 2 3 312.443 -0.988 20 0 DBADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220315591 979163496 /nfs/dbraw/zinc/16/34/96/979163496.db2.gz FVGLKWYPADECNM-JJRVBVJISA-N 2 3 322.453 -0.112 20 0 DBADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220315591 979163506 /nfs/dbraw/zinc/16/35/06/979163506.db2.gz FVGLKWYPADECNM-JJRVBVJISA-N 2 3 322.453 -0.112 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321216 979167092 /nfs/dbraw/zinc/16/70/92/979167092.db2.gz STRYFSVWQXVSAE-MDZLAQPJSA-N 2 3 302.444 -0.967 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791165 979283554 /nfs/dbraw/zinc/28/35/54/979283554.db2.gz WVZIRZHBXQVYSO-RDBSUJKOSA-N 2 3 323.466 -0.132 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220791163 979285253 /nfs/dbraw/zinc/28/52/53/979285253.db2.gz WVZIRZHBXQVYSO-IHRRRGAJSA-N 2 3 323.466 -0.132 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220937414 979333977 /nfs/dbraw/zinc/33/39/77/979333977.db2.gz QUZDAPNIONZJOE-GOEBONIOSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220937414 979333985 /nfs/dbraw/zinc/33/39/85/979333985.db2.gz QUZDAPNIONZJOE-GOEBONIOSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220937414 979333992 /nfs/dbraw/zinc/33/39/92/979333992.db2.gz QUZDAPNIONZJOE-GOEBONIOSA-N 2 3 324.469 -0.055 20 0 DBADHP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001221407452 979418139 /nfs/dbraw/zinc/41/81/39/979418139.db2.gz YOMQOKISTCCOIW-KGLIPLIRSA-N 2 3 304.394 -0.380 20 0 DBADHP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001221407453 979419517 /nfs/dbraw/zinc/41/95/17/979419517.db2.gz YOMQOKISTCCOIW-UONOGXRCSA-N 2 3 304.394 -0.380 20 0 DBADHP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001448621642 1009829749 /nfs/dbraw/zinc/82/97/49/1009829749.db2.gz WKIKEPZHSGEFJN-ZIAGYGMSSA-N 2 3 308.426 -0.203 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000565422027 284095196 /nfs/dbraw/zinc/09/51/96/284095196.db2.gz KSDUSPBSQZMZQH-SQNIBIBYSA-N 2 3 318.465 -0.103 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000565422027 284095198 /nfs/dbraw/zinc/09/51/98/284095198.db2.gz KSDUSPBSQZMZQH-SQNIBIBYSA-N 2 3 318.465 -0.103 20 0 DBADHP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580075249 375428883 /nfs/dbraw/zinc/42/88/83/375428883.db2.gz ZKJOXCKREVGZPR-CHWSQXEVSA-N 2 3 315.462 -0.820 20 0 DBADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923344285 807660038 /nfs/dbraw/zinc/66/00/38/807660038.db2.gz GNIQLHRONFJXQJ-KGLIPLIRSA-N 2 3 310.442 -0.316 20 0 DBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923414688 807666184 /nfs/dbraw/zinc/66/61/84/807666184.db2.gz NFHTYCUUWUFUPL-RFQIPJPRSA-N 2 3 322.409 -0.768 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378891 833009944 /nfs/dbraw/zinc/00/99/44/833009944.db2.gz NVGGWZUXEXIPKC-OLZOCXBDSA-N 2 3 315.487 -0.970 20 0 DBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382270 833011412 /nfs/dbraw/zinc/01/14/12/833011412.db2.gz WGNROVBWHGCXHR-ZIAGYGMSSA-N 2 3 308.426 -0.881 20 0 DBADHP CN(C)CCN(C(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)[C@H]1CCC[NH2+]C1 ZINC001161446299 833018973 /nfs/dbraw/zinc/01/89/73/833018973.db2.gz RVEGNZLKTWWKBK-CAOSSQGBSA-N 2 3 324.469 -0.104 20 0 DBADHP CN(C)CCN(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)[C@H]1CCC[NH2+]C1 ZINC001161447279 833017951 /nfs/dbraw/zinc/01/79/51/833017951.db2.gz WRLIPPYTICIWJA-YHUYYLMFSA-N 2 3 324.469 -0.104 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161476000 833021928 /nfs/dbraw/zinc/02/19/28/833021928.db2.gz AIFZDZPNYZSFLT-HUBLWGQQSA-N 2 3 312.414 -0.804 20 0 DBADHP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161476002 833022018 /nfs/dbraw/zinc/02/20/18/833022018.db2.gz AIFZDZPNYZSFLT-YWPYICTPSA-N 2 3 312.414 -0.804 20 0 DBADHP CC(C)N(C(=O)[C@@H](N)CCC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158759962 832133753 /nfs/dbraw/zinc/13/37/53/832133753.db2.gz VKJYMPANTBTKRI-ZDUSSCGKSA-N 2 3 320.441 -0.028 20 0 DBADHP COCCN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CC[NH+](C)CC1 ZINC001160441704 832905681 /nfs/dbraw/zinc/90/56/81/832905681.db2.gz WPMDSXDEPWYDNU-CQSZACIVSA-N 2 3 310.442 -0.635 20 0 DBADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001304 832965468 /nfs/dbraw/zinc/96/54/68/832965468.db2.gz XYIKRFGYAAPMIL-UONOGXRCSA-N 2 3 322.453 -0.424 20 0 DBADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001304 832965475 /nfs/dbraw/zinc/96/54/75/832965475.db2.gz XYIKRFGYAAPMIL-UONOGXRCSA-N 2 3 322.453 -0.424 20 0 DBADHP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001161174950 832988905 /nfs/dbraw/zinc/98/89/05/832988905.db2.gz HHORVHGIDNJXQU-XQQFMLRXSA-N 2 3 300.472 -0.194 20 0 DBADHP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C1 ZINC001161174950 832988914 /nfs/dbraw/zinc/98/89/14/832988914.db2.gz HHORVHGIDNJXQU-XQQFMLRXSA-N 2 3 300.472 -0.194 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)C1CC[NH2+]CC1 ZINC001245999866 834409134 /nfs/dbraw/zinc/40/91/34/834409134.db2.gz GDINIOAIDQKJDD-GVDBMIGSSA-N 2 3 307.438 -0.133 20 0 DBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(C[C@@]1(O)CC[NH2+]C1)C2 ZINC001246033687 834411433 /nfs/dbraw/zinc/41/14/33/834411433.db2.gz JIMUNPPLPHLSDY-RHBQXOTJSA-N 2 3 309.410 -0.959 20 0 DBADHP CCOC(=O)[C@H]1C[N@H+](C[C@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059668 834414292 /nfs/dbraw/zinc/41/42/92/834414292.db2.gz LQXSBEIMINNWGU-CJNGLKHVSA-N 2 3 311.426 -0.425 20 0 DBADHP CCOC(=O)[C@H]1C[N@@H+](C[C@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059668 834414295 /nfs/dbraw/zinc/41/42/95/834414295.db2.gz LQXSBEIMINNWGU-CJNGLKHVSA-N 2 3 311.426 -0.425 20 0 DBADHP O[C@@]1(C[NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCNC[C@@H]1F ZINC001246084896 834416067 /nfs/dbraw/zinc/41/60/67/834416067.db2.gz UFLQWBLXXRYDCM-OOJKYFRXSA-N 2 3 301.406 -0.060 20 0 DBADHP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010961 834469411 /nfs/dbraw/zinc/46/94/11/834469411.db2.gz XCADUMFFCXCPIQ-KGLIPLIRSA-N 2 3 323.437 -0.018 20 0 DBADHP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC3(CNC3)C2)CCC12C[NH2+]C2 ZINC001247010961 834469415 /nfs/dbraw/zinc/46/94/15/834469415.db2.gz XCADUMFFCXCPIQ-KGLIPLIRSA-N 2 3 323.437 -0.018 20 0 DBADHP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219609788 978979625 /nfs/dbraw/zinc/97/96/25/978979625.db2.gz DUZSHLPFPGPGNA-YUSALJHKSA-N 2 3 306.332 -0.404 20 0 DBADHP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1C[NH2+]CC12CNC2 ZINC001219704029 978998086 /nfs/dbraw/zinc/99/80/86/978998086.db2.gz UQMYJEWXMLPOEY-OAHLLOKOSA-N 2 3 300.406 -0.243 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739366 979005647 /nfs/dbraw/zinc/00/56/47/979005647.db2.gz MTTLRSQWNHRDBX-KBPBESRZSA-N 2 3 312.458 -0.023 20 0 DBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219831298 979025818 /nfs/dbraw/zinc/02/58/18/979025818.db2.gz FTWPJGMFDZOJTR-SYQHCUMBSA-N 2 3 308.426 -0.646 20 0 DBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219831298 979025824 /nfs/dbraw/zinc/02/58/24/979025824.db2.gz FTWPJGMFDZOJTR-SYQHCUMBSA-N 2 3 308.426 -0.646 20 0 DBADHP COC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC[NH2+]CC1 ZINC001219999565 979057607 /nfs/dbraw/zinc/05/76/07/979057607.db2.gz XGLWPSNOJRAKNV-GFCCVEGCSA-N 2 3 324.425 -0.728 20 0 DBADHP COC(=O)C1(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]CC1 ZINC001219999565 979057614 /nfs/dbraw/zinc/05/76/14/979057614.db2.gz XGLWPSNOJRAKNV-GFCCVEGCSA-N 2 3 324.425 -0.728 20 0 DBADHP COC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC[NH2+]CC1 ZINC001219999566 979057944 /nfs/dbraw/zinc/05/79/44/979057944.db2.gz XGLWPSNOJRAKNV-LBPRGKRZSA-N 2 3 324.425 -0.728 20 0 DBADHP COC(=O)C1(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[NH2+]CC1 ZINC001219999566 979057950 /nfs/dbraw/zinc/05/79/50/979057950.db2.gz XGLWPSNOJRAKNV-LBPRGKRZSA-N 2 3 324.425 -0.728 20 0 DBADHP N=c1sc2c(n1C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC[C@H]([NH3+])C2 ZINC001220022635 979065899 /nfs/dbraw/zinc/06/58/99/979065899.db2.gz JWJUVUZWLJNJND-HFBDOXOYSA-N 2 3 321.450 -0.316 20 0 DBADHP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220743479 979273563 /nfs/dbraw/zinc/27/35/63/979273563.db2.gz DRZGVZDSSMRCOM-HNNXBMFYSA-N 2 3 315.421 -0.024 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220791160 979285807 /nfs/dbraw/zinc/28/58/07/979285807.db2.gz WVZIRZHBXQVYSO-HZSPNIEDSA-N 2 3 323.466 -0.132 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220937413 979333810 /nfs/dbraw/zinc/33/38/10/979333810.db2.gz QUZDAPNIONZJOE-GDBMZVCRSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220937413 979333824 /nfs/dbraw/zinc/33/38/24/979333824.db2.gz QUZDAPNIONZJOE-GDBMZVCRSA-N 2 3 324.469 -0.055 20 0 DBADHP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220937413 979333837 /nfs/dbraw/zinc/33/38/37/979333837.db2.gz QUZDAPNIONZJOE-GDBMZVCRSA-N 2 3 324.469 -0.055 20 0 DBADHP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221332809 979404559 /nfs/dbraw/zinc/40/45/59/979404559.db2.gz MURANKBLZOADNW-GJZGRUSLSA-N 2 3 300.406 -0.292 20 0 DBADHP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221332811 979405959 /nfs/dbraw/zinc/40/59/59/979405959.db2.gz MURANKBLZOADNW-LSDHHAIUSA-N 2 3 300.406 -0.292 20 0 DBADHP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001448621640 1009830981 /nfs/dbraw/zinc/83/09/81/1009830981.db2.gz WKIKEPZHSGEFJN-UONOGXRCSA-N 2 3 308.426 -0.203 20 0 DBADHP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662272435 412174251 /nfs/dbraw/zinc/17/42/51/412174251.db2.gz MVUMCBXEZKMHGG-KBPBESRZSA-N 2 3 310.442 -0.173 20 0 DBADHP COCC[N@H+](C)CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433115686 266038198 /nfs/dbraw/zinc/03/81/98/266038198.db2.gz KFIMVEGJFNGYRO-UHFFFAOYSA-N 2 3 300.447 -0.116 20 0 DBADHP COCC[N@@H+](C)CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433115686 266038200 /nfs/dbraw/zinc/03/82/00/266038200.db2.gz KFIMVEGJFNGYRO-UHFFFAOYSA-N 2 3 300.447 -0.116 20 0 DBADHP C(N1C[C@H]2C[NH2+]C[C@@H]2C1)C1(CN2C[C@H]3C[NH2+]C[C@H]3C2)COC1 ZINC001337577175 808470136 /nfs/dbraw/zinc/47/01/36/808470136.db2.gz IHGUWJJOMDVSDH-FPCVCCKLSA-N 2 3 306.454 -0.695 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378895 833009174 /nfs/dbraw/zinc/00/91/74/833009174.db2.gz NVGGWZUXEXIPKC-STQMWFEESA-N 2 3 315.487 -0.970 20 0 DBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382267 833010712 /nfs/dbraw/zinc/01/07/12/833010712.db2.gz WGNROVBWHGCXHR-KBPBESRZSA-N 2 3 308.426 -0.881 20 0 DBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001161477312 833022164 /nfs/dbraw/zinc/02/21/64/833022164.db2.gz DXFULPUXOSSCKG-IOASZLSFSA-N 2 3 324.425 -0.933 20 0 DBADHP N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369181 832038463 /nfs/dbraw/zinc/03/84/63/832038463.db2.gz QNAQNHWRRYCCAE-STQMWFEESA-N 2 3 313.446 -0.711 20 0 DBADHP N[C@@H](CCCC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277095 832102761 /nfs/dbraw/zinc/10/27/61/832102761.db2.gz IFHRCRVAYRNSPO-LBPRGKRZSA-N 2 3 321.429 -0.845 20 0 DBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001159135726 832160770 /nfs/dbraw/zinc/16/07/70/832160770.db2.gz YFULCNWMUHVSIP-QWHCGFSZSA-N 2 3 308.430 -0.531 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291876 832803574 /nfs/dbraw/zinc/80/35/74/832803574.db2.gz UPPNEQPWMPKUEW-ZDUSSCGKSA-N 2 3 312.483 -0.050 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291876 832803578 /nfs/dbraw/zinc/80/35/78/832803578.db2.gz UPPNEQPWMPKUEW-ZDUSSCGKSA-N 2 3 312.483 -0.050 20 0 DBADHP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160538260 832914757 /nfs/dbraw/zinc/91/47/57/832914757.db2.gz GGHIKRSMHJIEJK-MNOVXSKESA-N 2 3 302.382 -0.764 20 0 DBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CCC[NH3+] ZINC001160629215 832926003 /nfs/dbraw/zinc/92/60/03/832926003.db2.gz JIHSHJZFVMZSAV-AWEZNQCLSA-N 3 3 301.479 -0.215 20 0 DBADHP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CCO1 ZINC001160643799 832928955 /nfs/dbraw/zinc/92/89/55/832928955.db2.gz NOZJKGRTBYNPHC-HIFRSBDPSA-N 2 3 310.442 -0.364 20 0 DBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999285 832964541 /nfs/dbraw/zinc/96/45/41/832964541.db2.gz AMQNHQUVTLYPGE-UONOGXRCSA-N 2 3 312.458 -0.239 20 0 DBADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245985619 834406524 /nfs/dbraw/zinc/40/65/24/834406524.db2.gz RRTQTTCMVIWLDJ-UUAJXVIYSA-N 2 3 305.422 -0.116 20 0 DBADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245985619 834406527 /nfs/dbraw/zinc/40/65/27/834406527.db2.gz RRTQTTCMVIWLDJ-UUAJXVIYSA-N 2 3 305.422 -0.116 20 0 DBADHP [NH3+]C[C@@]1(O)CCCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246018673 834410319 /nfs/dbraw/zinc/41/03/19/834410319.db2.gz FMGHFVNDUJWRDB-ZFWWWQNUSA-N 2 3 301.431 -0.972 20 0 DBADHP CCOC(=O)[C@@H]1C[N@H+](C[C@@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059670 834414249 /nfs/dbraw/zinc/41/42/49/834414249.db2.gz LQXSBEIMINNWGU-XJKSGUPXSA-N 2 3 311.426 -0.425 20 0 DBADHP CCOC(=O)[C@@H]1C[N@@H+](C[C@@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059670 834414252 /nfs/dbraw/zinc/41/42/52/834414252.db2.gz LQXSBEIMINNWGU-XJKSGUPXSA-N 2 3 311.426 -0.425 20 0 DBADHP CCOC(=O)[C@@H]1C[N@H+](C[C@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059666 834414730 /nfs/dbraw/zinc/41/47/30/834414730.db2.gz LQXSBEIMINNWGU-BBRMVZONSA-N 2 3 311.426 -0.425 20 0 DBADHP CCOC(=O)[C@@H]1C[N@@H+](C[C@]2(O)CCCNC2)CCC12C[NH2+]C2 ZINC001246059666 834414738 /nfs/dbraw/zinc/41/47/38/834414738.db2.gz LQXSBEIMINNWGU-BBRMVZONSA-N 2 3 311.426 -0.425 20 0 DBADHP COC(=O)C1C[C@@H]2CC([NH2+]CCCNCCC[NH3+])C[C@H](C1)N2 ZINC001246451441 834435680 /nfs/dbraw/zinc/43/56/80/834435680.db2.gz GXNBWQFKLIISNS-ZMYVRHLSSA-N 2 3 312.458 -0.023 20 0 DBADHP O=C1NCC[C@]12C[N@@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629935 834443091 /nfs/dbraw/zinc/44/30/91/834443091.db2.gz QVFPWCGWNSRTDB-NHYWBVRUSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C1NCC[C@]12C[N@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC21CNC1 ZINC001246629935 834443093 /nfs/dbraw/zinc/44/30/93/834443093.db2.gz QVFPWCGWNSRTDB-NHYWBVRUSA-N 2 3 308.451 -0.755 20 0 DBADHP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218726608 978847801 /nfs/dbraw/zinc/84/78/01/978847801.db2.gz NPHFOAULBNVKEE-OLZOCXBDSA-N 2 3 317.393 -0.430 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612625 978980675 /nfs/dbraw/zinc/98/06/75/978980675.db2.gz BTDHOFGDBZRSBE-CBAPKCEASA-N 2 3 300.350 -0.584 20 0 DBADHP N[C@@H](CSCC[NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612626 978980941 /nfs/dbraw/zinc/98/09/41/978980941.db2.gz BTDHOFGDBZRSBE-IONNQARKSA-N 2 3 300.350 -0.584 20 0 DBADHP N=c1sc2c(n1C(=O)[C@@H](N)C1CC[NH2+]CC1)CC[C@H]([NH3+])C2 ZINC001220025406 979068554 /nfs/dbraw/zinc/06/85/54/979068554.db2.gz OMTBLZYXXHOORL-CABZTGNLSA-N 2 3 309.439 -0.188 20 0 DBADHP N=c1sc2c(n1C(=O)[C@H](N)C1CC[NH2+]CC1)CC[C@H]([NH3+])C2 ZINC001220025407 979069548 /nfs/dbraw/zinc/06/95/48/979069548.db2.gz OMTBLZYXXHOORL-JOYOIKCWSA-N 2 3 309.439 -0.188 20 0 DBADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220315592 979164004 /nfs/dbraw/zinc/16/40/04/979164004.db2.gz FVGLKWYPADECNM-VBQJREDUSA-N 2 3 322.453 -0.112 20 0 DBADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220315592 979164005 /nfs/dbraw/zinc/16/40/05/979164005.db2.gz FVGLKWYPADECNM-VBQJREDUSA-N 2 3 322.453 -0.112 20 0 DBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519498 979223335 /nfs/dbraw/zinc/22/33/35/979223335.db2.gz QGEMUKRDJLOYEU-AWEZNQCLSA-N 2 3 318.462 -0.410 20 0 DBADHP O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220801440 979290212 /nfs/dbraw/zinc/29/02/12/979290212.db2.gz ZUKZZWFHDJWIFR-MPPDQPJWSA-N 2 3 320.359 -0.158 20 0 DBADHP