smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CSC[NH2+]3)CC2)cc1 ZINC000269289111 488487411 /nfs/dbraw/zinc/48/74/11/488487411.db2.gz KENMJHLPLCPWDW-INIZCTEOSA-N 2 2 350.488 0.596 20 10 FCCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000818943753 1203146140 /nfs/dbraw/zinc/14/61/40/1203146140.db2.gz ZOJFBXAFXCWQSG-UHFFFAOYSA-N 2 2 363.462 0.382 20 10 FCCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844224117 1204379745 /nfs/dbraw/zinc/37/97/45/1204379745.db2.gz MVUOBLMMQNISIE-LJQANCHMSA-N 2 2 359.518 0.691 20 10 FCCDLP COC(=O)[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001252437790 857808895 /nfs/dbraw/zinc/80/88/95/857808895.db2.gz YAVVXXXUEYNPKT-QGZVFWFLSA-N 2 2 351.447 0.331 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)cc2F)CC1 ZINC001320625184 868225259 /nfs/dbraw/zinc/22/52/59/868225259.db2.gz QRAXDJVKSVRCPB-CQSZACIVSA-N 2 2 356.467 0.440 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)cc2F)CC1 ZINC001320625184 868225279 /nfs/dbraw/zinc/22/52/79/868225279.db2.gz QRAXDJVKSVRCPB-CQSZACIVSA-N 2 2 356.467 0.440 20 10 FCCDLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328159884 871255199 /nfs/dbraw/zinc/25/51/99/871255199.db2.gz YNZNSEJIKNKRDU-WBVHZDCISA-N 2 2 371.478 0.479 20 10 FCCDLP CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000771962571 1200682354 /nfs/dbraw/zinc/68/23/54/1200682354.db2.gz JAZPIMSEZVSKJH-INIZCTEOSA-N 2 2 363.458 0.814 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)c3cnc(C[NH3+])nc3)CC2)cc1 ZINC000876782405 1210430103 /nfs/dbraw/zinc/43/01/03/1210430103.db2.gz QAANLHSRKIEEHF-UHFFFAOYSA-N 2 2 370.457 0.496 20 10 FCCDLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155234913 1223030496 /nfs/dbraw/zinc/03/04/96/1223030496.db2.gz CFLRSVJGRUSUGN-UHFFFAOYSA-N 2 2 362.386 0.882 20 10 FCCDLP COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000923297126 1245704884 /nfs/dbraw/zinc/70/48/84/1245704884.db2.gz YURBEDZLOQKJKC-QUCCMNQESA-N 2 2 362.518 0.895 20 10 FCCDLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC001236310035 1259588519 /nfs/dbraw/zinc/58/85/19/1259588519.db2.gz UMUDMMVDSHQOSE-UHFFFAOYSA-N 3 2 363.506 0.139 20 10 FCCDLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC001236310035 1259588526 /nfs/dbraw/zinc/58/85/26/1259588526.db2.gz UMUDMMVDSHQOSE-UHFFFAOYSA-N 3 2 363.506 0.139 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc4c(=O)[nH]ccn34)cc2)CC1 ZINC001333467378 1266608924 /nfs/dbraw/zinc/60/89/24/1266608924.db2.gz QFXFNGIDBYJLFP-UHFFFAOYSA-N 2 2 353.430 0.459 20 10 FCCDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161534540 850269176 /nfs/dbraw/zinc/26/91/76/850269176.db2.gz NNECBFQLMAFEJA-RISCZKNCSA-N 2 2 358.364 0.923 20 10 FCCDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC000179559802 529775695 /nfs/dbraw/zinc/77/56/95/529775695.db2.gz IEBYSZIUBZIALF-UHFFFAOYSA-N 2 2 354.476 0.002 20 10 FCCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCN(c3[nH]cc[nH+]3)CC1)cc2=O ZINC000788004261 1200930039 /nfs/dbraw/zinc/93/00/39/1200930039.db2.gz OOZGMGOCUZVPBY-UHFFFAOYSA-N 2 2 371.401 0.657 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000843065352 1222858595 /nfs/dbraw/zinc/85/85/95/1222858595.db2.gz LBJFBEYIIVZAEA-HXUWFJFHSA-N 3 2 371.529 0.835 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000843065352 1222858596 /nfs/dbraw/zinc/85/85/96/1222858596.db2.gz LBJFBEYIIVZAEA-HXUWFJFHSA-N 3 2 371.529 0.835 20 10 FCCDLP COC(=O)C1(O)CC[NH+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139260620 849334201 /nfs/dbraw/zinc/33/42/01/849334201.db2.gz NDOGOXLAHASCEM-UHFFFAOYSA-N 2 2 352.431 0.962 20 10 FCCDLP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3COCC[NH2+]3)cc2F)CC1 ZINC000237000601 488453650 /nfs/dbraw/zinc/45/36/50/488453650.db2.gz OIDWELIHLRPFDC-MRXNPFEDSA-N 2 2 350.438 0.572 20 10 FCCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221633 671570033 /nfs/dbraw/zinc/57/00/33/671570033.db2.gz QUOIKFMTNQYGFC-DOTOQJQBSA-N 2 2 367.515 0.778 20 10 FCCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000775015682 1206496740 /nfs/dbraw/zinc/49/67/40/1206496740.db2.gz ZOLMOBGYPSNQHG-CYBMUJFWSA-N 2 2 366.418 0.986 20 10 FCCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000775015682 1206496741 /nfs/dbraw/zinc/49/67/41/1206496741.db2.gz ZOLMOBGYPSNQHG-CYBMUJFWSA-N 2 2 366.418 0.986 20 10 FCCDLP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000929202579 1211622581 /nfs/dbraw/zinc/62/25/81/1211622581.db2.gz MGYHCMJWBUNJIK-QGZVFWFLSA-N 2 2 372.473 0.484 20 10 FCCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000923297123 1245704628 /nfs/dbraw/zinc/70/46/28/1245704628.db2.gz YURBEDZLOQKJKC-AZUAARDMSA-N 2 2 362.518 0.895 20 10 FCCDLP CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322783676 1264263751 /nfs/dbraw/zinc/26/37/51/1264263751.db2.gz ZIPKIZPQKDZVLE-MRXNPFEDSA-N 2 2 374.485 0.635 20 10 FCCDLP CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322783676 1264263755 /nfs/dbraw/zinc/26/37/55/1264263755.db2.gz ZIPKIZPQKDZVLE-MRXNPFEDSA-N 2 2 374.485 0.635 20 10 FCCDLP O=C1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1CC[NH+]1CCOCC1 ZINC000265837253 229355466 /nfs/dbraw/zinc/35/54/66/229355466.db2.gz FMTDHBZENYZAHS-CQSZACIVSA-N 2 2 363.414 0.144 20 10 FCCDLP O=C1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1CC[NH+]1CCOCC1 ZINC000265837249 229356088 /nfs/dbraw/zinc/35/60/88/229356088.db2.gz FMTDHBZENYZAHS-AWEZNQCLSA-N 2 2 363.414 0.144 20 10 FCCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278634238 488886395 /nfs/dbraw/zinc/88/63/95/488886395.db2.gz HEYXRLJPIFDLBU-ZDUSSCGKSA-N 2 2 352.391 0.738 20 10 FCCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000278634238 488886397 /nfs/dbraw/zinc/88/63/97/488886397.db2.gz HEYXRLJPIFDLBU-ZDUSSCGKSA-N 2 2 352.391 0.738 20 10 FCCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221634 671570038 /nfs/dbraw/zinc/57/00/38/671570038.db2.gz QUOIKFMTNQYGFC-NVXWUHKLSA-N 2 2 367.515 0.778 20 10 FCCDLP COc1ccc(N2CC[NH+](C[C@H](O)CNC3CC[NH+](C)CC3)CC2)cc1 ZINC000818940791 1203146109 /nfs/dbraw/zinc/14/61/09/1203146109.db2.gz GBADHPKPILMECU-LJQANCHMSA-N 2 2 362.518 0.862 20 10 FCCDLP O=C1CCC[C@]2(C[NH2+]CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184116 1259567635 /nfs/dbraw/zinc/56/76/35/1259567635.db2.gz LHBSMEAASBEPJC-HXUWFJFHSA-N 3 2 373.501 0.246 20 10 FCCDLP O=C1CCC[C@]2(C[NH2+]CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184116 1259567639 /nfs/dbraw/zinc/56/76/39/1259567639.db2.gz LHBSMEAASBEPJC-HXUWFJFHSA-N 3 2 373.501 0.246 20 10 FCCDLP C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319797634 1263732759 /nfs/dbraw/zinc/73/27/59/1263732759.db2.gz HIJLIMRDGYOLCR-UHFFFAOYSA-N 2 2 364.465 0.868 20 10 FCCDLP C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319797634 1263732767 /nfs/dbraw/zinc/73/27/67/1263732767.db2.gz HIJLIMRDGYOLCR-UHFFFAOYSA-N 2 2 364.465 0.868 20 10 FCCDLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319728245 867986339 /nfs/dbraw/zinc/98/63/39/867986339.db2.gz URTRBYIOCFELQJ-OAHLLOKOSA-N 2 2 370.494 0.701 20 10 FCCDLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319728245 867986345 /nfs/dbraw/zinc/98/63/45/867986345.db2.gz URTRBYIOCFELQJ-OAHLLOKOSA-N 2 2 370.494 0.701 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000829506898 669705298 /nfs/dbraw/zinc/70/52/98/669705298.db2.gz WXTREDAQUOLPHF-SFHVURJKSA-N 2 2 350.438 0.635 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC000829504096 669705320 /nfs/dbraw/zinc/70/53/20/669705320.db2.gz AJLMZZQVWLDANN-OAHLLOKOSA-N 2 2 356.417 0.916 20 10 FCCDLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCc2cc(O)c(O)cc2O)CC1 ZINC001199361793 1208343113 /nfs/dbraw/zinc/34/31/13/1208343113.db2.gz WHYGBCBLLWTIIE-UHFFFAOYSA-N 2 2 372.425 0.923 20 10 FCCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCn4cc[nH+]c43)CC2)cc1 ZINC000931520909 1211759242 /nfs/dbraw/zinc/75/92/42/1211759242.db2.gz BEFODTMQCORANG-KRWDZBQOSA-N 2 2 357.458 0.895 20 10 FCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235199100 1259568808 /nfs/dbraw/zinc/56/88/08/1259568808.db2.gz GDZMEPFCAGLSMN-HXUWFJFHSA-N 3 2 360.502 0.677 20 10 FCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235199100 1259568813 /nfs/dbraw/zinc/56/88/13/1259568813.db2.gz GDZMEPFCAGLSMN-HXUWFJFHSA-N 3 2 360.502 0.677 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)cc2F)CC1 ZINC001320625183 868225743 /nfs/dbraw/zinc/22/57/43/868225743.db2.gz QRAXDJVKSVRCPB-AWEZNQCLSA-N 2 2 356.467 0.440 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)cc2F)CC1 ZINC001320625183 868225756 /nfs/dbraw/zinc/22/57/56/868225756.db2.gz QRAXDJVKSVRCPB-AWEZNQCLSA-N 2 2 356.467 0.440 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000829506896 669705290 /nfs/dbraw/zinc/70/52/90/669705290.db2.gz WXTREDAQUOLPHF-GOSISDBHSA-N 2 2 350.438 0.635 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000858224729 1209781717 /nfs/dbraw/zinc/78/17/17/1209781717.db2.gz PYBVILWXUMUMST-IBGZPJMESA-N 3 2 359.518 0.868 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000858224729 1209781722 /nfs/dbraw/zinc/78/17/22/1209781722.db2.gz PYBVILWXUMUMST-IBGZPJMESA-N 3 2 359.518 0.868 20 10 FCCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCn4cc[nH+]c43)CC2)cc1 ZINC000931520911 1211759585 /nfs/dbraw/zinc/75/95/85/1211759585.db2.gz BEFODTMQCORANG-QGZVFWFLSA-N 2 2 357.458 0.895 20 10 FCCDLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203876391 1223296987 /nfs/dbraw/zinc/29/69/87/1223296987.db2.gz CPYQFLVGDBPXBI-CRAIPNDOSA-N 2 2 363.458 0.709 20 10 FCCDLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203876391 1223296992 /nfs/dbraw/zinc/29/69/92/1223296992.db2.gz CPYQFLVGDBPXBI-CRAIPNDOSA-N 2 2 363.458 0.709 20 10 FCCDLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203876391 1223296995 /nfs/dbraw/zinc/29/69/95/1223296995.db2.gz CPYQFLVGDBPXBI-CRAIPNDOSA-N 2 2 363.458 0.709 20 10 FCCDLP C[NH+]1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])cc2Br)CC1 ZINC001235881333 857434542 /nfs/dbraw/zinc/43/45/42/857434542.db2.gz XDNOMPBADQRIHH-UHFFFAOYSA-N 3 2 370.339 0.920 20 10 FCCDLP COC(=O)[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001252437789 857808682 /nfs/dbraw/zinc/80/86/82/857808682.db2.gz YAVVXXXUEYNPKT-KRWDZBQOSA-N 2 2 351.447 0.331 20 10 FCCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844224114 1204379958 /nfs/dbraw/zinc/37/99/58/1204379958.db2.gz MVUOBLMMQNISIE-IBGZPJMESA-N 2 2 359.518 0.691 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000841749163 1222828756 /nfs/dbraw/zinc/82/87/56/1222828756.db2.gz AWWCYXFUKICRNX-MRXNPFEDSA-N 2 2 361.490 0.821 20 10 FCCDLP COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000923297124 1245705096 /nfs/dbraw/zinc/70/50/96/1245705096.db2.gz YURBEDZLOQKJKC-ICSRJNTNSA-N 2 2 362.518 0.895 20 10 FCCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246185914 1259649697 /nfs/dbraw/zinc/64/96/97/1259649697.db2.gz WMRPNGVJLPYGJB-GOSISDBHSA-N 3 2 373.545 0.891 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc4n3CCOC4)cc2F)CC1 ZINC001320826355 1263865357 /nfs/dbraw/zinc/86/53/57/1263865357.db2.gz BOPBHJLYHNYITF-UHFFFAOYSA-N 2 2 360.437 0.989 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000269289113 488487645 /nfs/dbraw/zinc/48/76/45/488487645.db2.gz KENMJHLPLCPWDW-MRXNPFEDSA-N 2 2 350.488 0.596 20 10 FCCDLP COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000894394211 1188197341 /nfs/dbraw/zinc/19/73/41/1188197341.db2.gz VFGDTXSOZNKFRS-INIZCTEOSA-N 2 2 363.458 0.732 20 10 FCCDLP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001219962580 1224703719 /nfs/dbraw/zinc/70/37/19/1224703719.db2.gz AVGHPMZHVFIEDH-QAPCUYQASA-N 3 2 361.490 0.013 20 10 FCCDLP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)cc1 ZINC001219962580 1224703723 /nfs/dbraw/zinc/70/37/23/1224703723.db2.gz AVGHPMZHVFIEDH-QAPCUYQASA-N 2 2 361.490 0.013 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000843065351 1222858672 /nfs/dbraw/zinc/85/86/72/1222858672.db2.gz LBJFBEYIIVZAEA-FQEVSTJZSA-N 3 2 371.529 0.835 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2)CC1 ZINC000843065351 1222858673 /nfs/dbraw/zinc/85/86/73/1222858673.db2.gz LBJFBEYIIVZAEA-FQEVSTJZSA-N 3 2 371.529 0.835 20 10 FCCDLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161534539 850269061 /nfs/dbraw/zinc/26/90/61/850269061.db2.gz NNECBFQLMAFEJA-FZMZJTMJSA-N 2 2 358.364 0.923 20 10 FCCDLP COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(O)c1O ZINC001279232625 862777079 /nfs/dbraw/zinc/77/70/79/862777079.db2.gz COCKEWMPMRKDLY-PBHICJAKSA-N 2 2 351.447 0.553 20 10 FCCDLP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(O)c1O ZINC001279232625 862777091 /nfs/dbraw/zinc/77/70/91/862777091.db2.gz COCKEWMPMRKDLY-PBHICJAKSA-N 2 2 351.447 0.553 20 10 FCCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000273510212 488655214 /nfs/dbraw/zinc/65/52/14/488655214.db2.gz RMKYFZCUFNOBHG-LSDHHAIUSA-N 2 2 363.458 0.985 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000266887802 534014837 /nfs/dbraw/zinc/01/48/37/534014837.db2.gz VIGOFKGNOGVATM-SFHVURJKSA-N 2 2 362.474 0.264 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000266887802 534014845 /nfs/dbraw/zinc/01/48/45/534014845.db2.gz VIGOFKGNOGVATM-SFHVURJKSA-N 2 2 362.474 0.264 20 10 FCCDLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873025521 1210228612 /nfs/dbraw/zinc/22/86/12/1210228612.db2.gz KFCOGUWNJDDKQK-UHFFFAOYSA-N 2 2 357.458 0.804 20 10 FCCDLP COC(=O)c1cn(C2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)nn1 ZINC000779613797 1212752850 /nfs/dbraw/zinc/75/28/50/1212752850.db2.gz PCZVSISCYWHGIV-UHFFFAOYSA-N 2 2 370.457 0.873 20 10 FCCDLP CC[NH+]1CCN(c2ccc(C[NH+]3CC(N4CCN(C)C(=O)C4)C3)cc2)CC1 ZINC001140304466 1222583838 /nfs/dbraw/zinc/58/38/38/1222583838.db2.gz QXRIAAQHHUIOAH-UHFFFAOYSA-N 2 2 371.529 0.787 20 10 FCCDLP COc1cc(O)c(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(OC)c1 ZINC001279352165 1260847188 /nfs/dbraw/zinc/84/71/88/1260847188.db2.gz XNRQHKSXQMMGIS-IYBDPMFKSA-N 2 2 365.474 0.856 20 10 FCCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(OC)c1 ZINC001279352165 1260847200 /nfs/dbraw/zinc/84/72/00/1260847200.db2.gz XNRQHKSXQMMGIS-IYBDPMFKSA-N 2 2 365.474 0.856 20 10 FCCDLP COc1c(O)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278637549 488886264 /nfs/dbraw/zinc/88/62/64/488886264.db2.gz HOYCUTAKGTTXHZ-UHFFFAOYSA-N 2 2 352.391 0.563 20 10 FCCDLP C[NH+]1CCN(c2ccc(CN3CC[NH+](CC[S@](C)=O)CC3)cc2)CC1 ZINC000775716569 668228199 /nfs/dbraw/zinc/22/81/99/668228199.db2.gz DBSOWDUFQRFJLT-VWLOTQADSA-N 2 2 364.559 0.935 20 10 FCCDLP COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947463 1259593338 /nfs/dbraw/zinc/59/33/38/1259593338.db2.gz SKPUMQNKGOKRPO-SFHVURJKSA-N 2 2 364.465 0.867 20 10 FCCDLP COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947463 1259593343 /nfs/dbraw/zinc/59/33/43/1259593343.db2.gz SKPUMQNKGOKRPO-SFHVURJKSA-N 2 2 364.465 0.867 20 10 FCCDLP CN1CCOc2cc(C[N@H+]3C[C@H]4CN(CC[NH+](C)C)C[C@@H](C3)O4)ccc21 ZINC001278745739 1260723914 /nfs/dbraw/zinc/72/39/14/1260723914.db2.gz HQOUXYLYSWCXJX-HDICACEKSA-N 2 2 360.502 0.962 20 10 FCCDLP CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(CC[NH+](C)C)C[C@@H](C3)O4)ccc21 ZINC001278745739 1260723917 /nfs/dbraw/zinc/72/39/17/1260723917.db2.gz HQOUXYLYSWCXJX-HDICACEKSA-N 2 2 360.502 0.962 20 10 FCCDLP COc1cc(C[N@H+](C)CC(=O)N2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139253009 849333951 /nfs/dbraw/zinc/33/39/51/849333951.db2.gz IKKSBYJGRNLYLD-UHFFFAOYSA-N 2 2 351.447 0.753 20 10 FCCDLP COc1cc(C[N@@H+](C)CC(=O)N2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139253009 849333959 /nfs/dbraw/zinc/33/39/59/849333959.db2.gz IKKSBYJGRNLYLD-UHFFFAOYSA-N 2 2 351.447 0.753 20 10 FCCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C[C@@H](O)CO ZINC001237096639 857448706 /nfs/dbraw/zinc/44/87/06/857448706.db2.gz PXVCFXCFSXBXSJ-CQSZACIVSA-N 2 2 372.307 0.986 20 10 FCCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C[C@@H](O)CO ZINC001237096639 857448709 /nfs/dbraw/zinc/44/87/09/857448709.db2.gz PXVCFXCFSXBXSJ-CQSZACIVSA-N 2 2 372.307 0.986 20 10 FCCDLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328159883 871255811 /nfs/dbraw/zinc/25/58/11/871255811.db2.gz YNZNSEJIKNKRDU-RDJZCZTQSA-N 2 2 371.478 0.479 20 10 FCCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000269340414 488493562 /nfs/dbraw/zinc/49/35/62/488493562.db2.gz GBPVVJQOGITKNA-MRXNPFEDSA-N 2 2 364.465 0.914 20 10 FCCDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765614 671147709 /nfs/dbraw/zinc/14/77/09/671147709.db2.gz BFSORIVKMIWJMI-IBGZPJMESA-N 2 2 351.491 0.894 20 10 FCCDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765614 671147710 /nfs/dbraw/zinc/14/77/10/671147710.db2.gz BFSORIVKMIWJMI-IBGZPJMESA-N 2 2 351.491 0.894 20 10 FCCDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765614 671147711 /nfs/dbraw/zinc/14/77/11/671147711.db2.gz BFSORIVKMIWJMI-IBGZPJMESA-N 2 2 351.491 0.894 20 10 FCCDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765614 671147712 /nfs/dbraw/zinc/14/77/12/671147712.db2.gz BFSORIVKMIWJMI-IBGZPJMESA-N 2 2 351.491 0.894 20 10 FCCDLP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001219962581 1224703205 /nfs/dbraw/zinc/70/32/05/1224703205.db2.gz AVGHPMZHVFIEDH-YJBOKZPZSA-N 3 2 361.490 0.013 20 10 FCCDLP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)cc1 ZINC001219962581 1224703208 /nfs/dbraw/zinc/70/32/08/1224703208.db2.gz AVGHPMZHVFIEDH-YJBOKZPZSA-N 2 2 361.490 0.013 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)NCC[NH+]3CCC3)CC2)cc1 ZINC000752658089 1220079596 /nfs/dbraw/zinc/07/95/96/1220079596.db2.gz HVQMUMRDLVKYNB-UHFFFAOYSA-N 2 2 361.490 0.822 20 10 FCCDLP CC[NH+]1CCN(c2ccc(C[NH+]3CC(N4CCNC(=O)C4)C3)cc2)CC1 ZINC001140304705 1222583824 /nfs/dbraw/zinc/58/38/24/1222583824.db2.gz YZSDAXWWFIADAJ-UHFFFAOYSA-N 2 2 357.502 0.445 20 10 FCCDLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328523161 1265569072 /nfs/dbraw/zinc/56/90/72/1265569072.db2.gz TZFUZXNFUIUKHT-HZPDHXFCSA-N 2 2 365.449 0.933 20 10 FCCDLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328523161 1265569082 /nfs/dbraw/zinc/56/90/82/1265569082.db2.gz TZFUZXNFUIUKHT-HZPDHXFCSA-N 2 2 365.449 0.933 20 10 FCCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266958184 529781045 /nfs/dbraw/zinc/78/10/45/529781045.db2.gz WAFISHDMCZKAQO-UHFFFAOYSA-N 2 2 356.474 0.925 20 10 FCCDLP CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000269340409 488493587 /nfs/dbraw/zinc/49/35/87/488493587.db2.gz GBPVVJQOGITKNA-INIZCTEOSA-N 2 2 364.465 0.914 20 10 FCCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000273510204 488655202 /nfs/dbraw/zinc/65/52/02/488655202.db2.gz RMKYFZCUFNOBHG-CABCVRRESA-N 2 2 363.458 0.985 20 10 FCCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000273510208 488655361 /nfs/dbraw/zinc/65/53/61/488655361.db2.gz RMKYFZCUFNOBHG-HUUCEWRRSA-N 2 2 363.458 0.985 20 10 FCCDLP COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000846154041 1204592693 /nfs/dbraw/zinc/59/26/93/1204592693.db2.gz JGTIIWSFOMXNOA-GJZGRUSLSA-N 2 2 363.458 0.985 20 10 FCCDLP COC(=O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236938782 1259592413 /nfs/dbraw/zinc/59/24/13/1259592413.db2.gz NFGBPOKDIMDEFV-UHFFFAOYSA-N 2 2 364.465 0.868 20 10 FCCDLP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@H](O)C3)cc2Br)CC1 ZINC001205370583 853605884 /nfs/dbraw/zinc/60/58/84/853605884.db2.gz XIFHUPJLRFYIOG-GDBMZVCRSA-N 2 2 369.307 0.705 20 10 FCCDLP COCC[NH2+]CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000829506066 669705342 /nfs/dbraw/zinc/70/53/42/669705342.db2.gz RCNCOAIPAJXUOF-UHFFFAOYSA-N 2 2 350.463 0.169 20 10 FCCDLP CC[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)COCC(=O)N4C)cc2)CC1 ZINC001275825918 1211291590 /nfs/dbraw/zinc/29/15/90/1211291590.db2.gz MTNZREWPSNCQST-UHFFFAOYSA-N 2 2 358.486 0.872 20 10 FCCDLP COc1cc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c(O)cc1O ZINC001276704249 1223832954 /nfs/dbraw/zinc/83/29/54/1223832954.db2.gz BTBVCLNMFRGFJE-UHFFFAOYSA-N 2 2 365.430 0.081 20 10 FCCDLP COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947461 1259593097 /nfs/dbraw/zinc/59/30/97/1259593097.db2.gz SKPUMQNKGOKRPO-GOSISDBHSA-N 2 2 364.465 0.867 20 10 FCCDLP COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236947461 1259593105 /nfs/dbraw/zinc/59/31/05/1259593105.db2.gz SKPUMQNKGOKRPO-GOSISDBHSA-N 2 2 364.465 0.867 20 10 FCCDLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000898327839 1192866827 /nfs/dbraw/zinc/86/68/27/1192866827.db2.gz UVZZTHOBDGOJQS-UHFFFAOYSA-N 2 2 373.501 0.219 20 10 FCCDLP COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000894394212 1188197207 /nfs/dbraw/zinc/19/72/07/1188197207.db2.gz VFGDTXSOZNKFRS-MRXNPFEDSA-N 2 2 363.458 0.732 20 10 FCCDLP Nc1ccc2c(c1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C(=O)c1ccccc1C2=O ZINC001219001630 1224283516 /nfs/dbraw/zinc/28/35/16/1224283516.db2.gz BKAGDLQKDDPOHZ-XPTSAGLGSA-N 2 2 350.378 0.672 20 10 FCCDLP COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000818982933 1245316370 /nfs/dbraw/zinc/31/63/70/1245316370.db2.gz VRBUARKMMXOFDA-LJQANCHMSA-N 2 2 362.518 0.862 20 10 FCCDLP COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000818982933 1245316371 /nfs/dbraw/zinc/31/63/71/1245316371.db2.gz VRBUARKMMXOFDA-LJQANCHMSA-N 2 2 362.518 0.862 20 10 FCCDLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328523162 1265569001 /nfs/dbraw/zinc/56/90/01/1265569001.db2.gz TZFUZXNFUIUKHT-JKSUJKDBSA-N 2 2 365.449 0.933 20 10 FCCDLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328523162 1265569007 /nfs/dbraw/zinc/56/90/07/1265569007.db2.gz TZFUZXNFUIUKHT-JKSUJKDBSA-N 2 2 365.449 0.933 20 10 FCCDLP Oc1cc2c(cc1C[N@@H+]1CCCO[C@]3(C[NH2+]CCOC3)C1)C[NH2+]CCO2 ZINC001235203470 1259569215 /nfs/dbraw/zinc/56/92/15/1259569215.db2.gz XRDFEKJKCQYVBT-LJQANCHMSA-N 3 2 363.458 0.455 20 10 FCCDLP Oc1cc2c(cc1C[N@H+]1CCCO[C@]3(C[NH2+]CCOC3)C1)C[NH2+]CCO2 ZINC001235203470 1259569220 /nfs/dbraw/zinc/56/92/20/1259569220.db2.gz XRDFEKJKCQYVBT-LJQANCHMSA-N 3 2 363.458 0.455 20 10 FCCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246185915 1259649614 /nfs/dbraw/zinc/64/96/14/1259649614.db2.gz WMRPNGVJLPYGJB-SFHVURJKSA-N 3 2 373.545 0.891 20 10 FCCDLP CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322783675 1264263848 /nfs/dbraw/zinc/26/38/48/1264263848.db2.gz ZIPKIZPQKDZVLE-INIZCTEOSA-N 2 2 374.485 0.635 20 10 FCCDLP CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322783675 1264263852 /nfs/dbraw/zinc/26/38/52/1264263852.db2.gz ZIPKIZPQKDZVLE-INIZCTEOSA-N 2 2 374.485 0.635 20 10 FCCDLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328159882 871255651 /nfs/dbraw/zinc/25/56/51/871255651.db2.gz YNZNSEJIKNKRDU-NVXWUHKLSA-N 2 2 371.478 0.479 20 10 FCCDLP 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MOJBQDVDZZAMHI-GOSISDBHSA-N 2 2 367.515 0.597 20 10 FCCDLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001205725867 853630190 /nfs/dbraw/zinc/63/01/90/853630190.db2.gz MOJBQDVDZZAMHI-GOSISDBHSA-N 2 2 367.515 0.597 20 10 FCCDLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319728243 867986152 /nfs/dbraw/zinc/98/61/52/867986152.db2.gz URTRBYIOCFELQJ-HNNXBMFYSA-N 2 2 370.494 0.701 20 10 FCCDLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319728243 867986162 /nfs/dbraw/zinc/98/61/62/867986162.db2.gz URTRBYIOCFELQJ-HNNXBMFYSA-N 2 2 370.494 0.701 20 10 FCCDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449467 1200155284 /nfs/dbraw/zinc/15/52/84/1200155284.db2.gz GUVMAXUMSRTEGR-KRWDZBQOSA-N 2 2 363.458 0.804 20 10 FCCDLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)CC[C@@H]21 ZINC001233484292 1259550512 /nfs/dbraw/zinc/55/05/12/1259550512.db2.gz FSFLVKOYGJUGOD-SNPRPXQTSA-N 2 2 359.430 0.990 20 10 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COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000829504094 669705158 /nfs/dbraw/zinc/70/51/58/669705158.db2.gz AJLMZZQVWLDANN-HNNXBMFYSA-N 2 2 356.417 0.916 20 10 FCCDLP COc1cc(C[NH+]2CCN(c3ncncn3)CC2)cc(C[NH+](C)C)c1O ZINC001139260977 1222546208 /nfs/dbraw/zinc/54/62/08/1222546208.db2.gz QZOHXGYGOUMCIA-UHFFFAOYSA-N 2 2 358.446 0.970 20 10 FCCDLP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000841749160 1222828867 /nfs/dbraw/zinc/82/88/67/1222828867.db2.gz AWWCYXFUKICRNX-INIZCTEOSA-N 2 2 361.490 0.821 20 10 FCCDLP O=C1CCC[C@@]2(C[NH2+]CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184114 1259567093 /nfs/dbraw/zinc/56/70/93/1259567093.db2.gz LHBSMEAASBEPJC-FQEVSTJZSA-N 3 2 373.501 0.246 20 10 FCCDLP O=C1CCC[C@@]2(C[NH2+]CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184114 1259567098 /nfs/dbraw/zinc/56/70/98/1259567098.db2.gz LHBSMEAASBEPJC-FQEVSTJZSA-N 3 2 373.501 0.246 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(Cc4nc[nH]n4)CC3)cc2)CC1 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PVTNYMRUOQUWID-UHFFFAOYSA-N 2 2 370.494 0.830 20 10 FCCDLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000897348501 1190731267 /nfs/dbraw/zinc/73/12/67/1190731267.db2.gz HIUUWGOSVIWVPA-UHFFFAOYSA-N 2 2 370.457 0.068 20 10 FCCDLP COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000846154040 1204592302 /nfs/dbraw/zinc/59/23/02/1204592302.db2.gz JGTIIWSFOMXNOA-CABCVRRESA-N 2 2 363.458 0.985 20 10 FCCDLP COc1cc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139257228 1222545919 /nfs/dbraw/zinc/54/59/19/1222545919.db2.gz VENXGHZPYTYDEH-UHFFFAOYSA-N 2 2 364.490 0.668 20 10 FCCDLP COc1ccc(N2CCN(CC[NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000818982931 1245316250 /nfs/dbraw/zinc/31/62/50/1245316250.db2.gz VRBUARKMMXOFDA-IBGZPJMESA-N 2 2 362.518 0.862 20 10 FCCDLP COc1ccc(N2CCN(CC[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000818982931 1245316253 /nfs/dbraw/zinc/31/62/53/1245316253.db2.gz VRBUARKMMXOFDA-IBGZPJMESA-N 2 2 362.518 0.862 20 10 FCCDLP 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ZINC001205725869 853630714 /nfs/dbraw/zinc/63/07/14/853630714.db2.gz MOJBQDVDZZAMHI-SFHVURJKSA-N 2 2 367.515 0.597 20 10 FCCDLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001205725869 853630716 /nfs/dbraw/zinc/63/07/16/853630716.db2.gz MOJBQDVDZZAMHI-SFHVURJKSA-N 2 2 367.515 0.597 20 10 FCCDLP CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000269347040 488494235 /nfs/dbraw/zinc/49/42/35/488494235.db2.gz IOMPGKDJWGAMAE-INIZCTEOSA-N 2 2 363.458 0.814 20 10 FCCDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000269350136 488494809 /nfs/dbraw/zinc/49/48/09/488494809.db2.gz KBFUQPOSRFUQRD-INIZCTEOSA-N 2 2 363.458 0.814 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)o3)cc2)CC1 ZINC000883283329 673370710 /nfs/dbraw/zinc/37/07/10/673370710.db2.gz BARZVGJRXYVBAZ-UHFFFAOYSA-N 2 2 364.471 0.969 20 10 FCCDLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446740 1200154990 /nfs/dbraw/zinc/15/49/90/1200154990.db2.gz OFQQFGUSHUZBTG-KRWDZBQOSA-N 2 2 361.442 0.558 20 10 FCCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc4n3CCNC4=O)cc2)CC1 ZINC000883294570 1210661475 /nfs/dbraw/zinc/66/14/75/1210661475.db2.gz CDYJMXIOXSAVLU-UHFFFAOYSA-N 2 2 355.446 0.063 20 10 FCCDLP COc1cc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139258244 1222546064 /nfs/dbraw/zinc/54/60/64/1222546064.db2.gz NOXUUOIQEMUHSK-UHFFFAOYSA-N 2 2 364.490 0.844 20 10 FCCDLP COc1cc(C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139258244 1222546067 /nfs/dbraw/zinc/54/60/67/1222546067.db2.gz NOXUUOIQEMUHSK-UHFFFAOYSA-N 2 2 364.490 0.844 20 10 FCCDLP Oc1cc2c(cc1C[N@@H+]1CCCO[C@@]3(C[NH2+]CCOC3)C1)C[NH2+]CCO2 ZINC001235203468 1259568730 /nfs/dbraw/zinc/56/87/30/1259568730.db2.gz XRDFEKJKCQYVBT-IBGZPJMESA-N 3 2 363.458 0.455 20 10 FCCDLP Oc1cc2c(cc1C[N@H+]1CCCO[C@@]3(C[NH2+]CCOC3)C1)C[NH2+]CCO2 ZINC001235203468 1259568736 /nfs/dbraw/zinc/56/87/36/1259568736.db2.gz XRDFEKJKCQYVBT-IBGZPJMESA-N 3 2 363.458 0.455 20 10 FCCDLP 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