smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503201 529642948 /nfs/dbraw/zinc/64/29/48/529642948.db2.gz AKEAEVODBIHPFJ-MRXNPFEDSA-N 2 2 384.549 2.685 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503201 529642949 /nfs/dbraw/zinc/64/29/49/529642949.db2.gz AKEAEVODBIHPFJ-MRXNPFEDSA-N 2 2 384.549 2.685 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)C[NH+](C)C)csc3C2)nc1 ZINC000426582719 529644109 /nfs/dbraw/zinc/64/41/09/529644109.db2.gz BSJLGDSSSQKZAB-OAHLLOKOSA-N 2 2 386.565 2.944 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)C[NH+](C)C)csc3C2)nc1 ZINC000426582719 529644113 /nfs/dbraw/zinc/64/41/13/529644113.db2.gz BSJLGDSSSQKZAB-OAHLLOKOSA-N 2 2 386.565 2.944 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426604236 529644711 /nfs/dbraw/zinc/64/47/11/529644711.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426604236 529644712 /nfs/dbraw/zinc/64/47/12/529644712.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)NC[C@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426604236 529644714 /nfs/dbraw/zinc/64/47/14/529644714.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)NC[C@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426604236 529644715 /nfs/dbraw/zinc/64/47/15/529644715.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 2 2 398.576 2.945 50 0 GFAALP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000011770575 204352750 /nfs/dbraw/zinc/35/27/50/204352750.db2.gz LLHQEFNWAHXMIC-FQEVSTJZSA-N 3 2 397.991 2.997 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000012206928 204383957 /nfs/dbraw/zinc/38/39/57/204383957.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 3 2 383.540 2.535 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000012206928 204383962 /nfs/dbraw/zinc/38/39/62/204383962.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 3 2 383.540 2.535 50 0 GFAALP COc1cccc(C[N@H+](C)C2CCCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000039371737 205040635 /nfs/dbraw/zinc/04/06/35/205040635.db2.gz SZPPXEZYQUSNOD-FQEVSTJZSA-N 2 2 392.540 2.532 50 0 GFAALP COc1cccc(C[N@@H+](C)C2CCCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000039371737 205040640 /nfs/dbraw/zinc/04/06/40/205040640.db2.gz SZPPXEZYQUSNOD-FQEVSTJZSA-N 2 2 392.540 2.532 50 0 GFAALP Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1 ZINC000040719958 205069491 /nfs/dbraw/zinc/06/94/91/205069491.db2.gz ZVYFWBLRXQOZTN-UHFFFAOYSA-N 2 2 397.519 2.824 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000067695003 205257506 /nfs/dbraw/zinc/25/75/06/205257506.db2.gz QGRBKPQYCNRLTM-FQEVSTJZSA-N 2 2 399.535 2.872 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000067695003 205257513 /nfs/dbraw/zinc/25/75/13/205257513.db2.gz QGRBKPQYCNRLTM-FQEVSTJZSA-N 2 2 399.535 2.872 50 0 GFAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)Cc2c[nH+]c3ccccn23)[nH]n1 ZINC000067894019 205265677 /nfs/dbraw/zinc/26/56/77/205265677.db2.gz ZLTGLADZMKSOQD-UHFFFAOYSA-N 2 2 377.452 2.698 50 0 GFAALP O=C(NCc1nccs1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071758929 205293871 /nfs/dbraw/zinc/29/38/71/205293871.db2.gz NHNBJGZCLUFTDV-SFHVURJKSA-N 2 2 399.564 2.531 50 0 GFAALP O=C(NCc1nccs1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071758929 205293875 /nfs/dbraw/zinc/29/38/75/205293875.db2.gz NHNBJGZCLUFTDV-SFHVURJKSA-N 2 2 399.564 2.531 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774730 205297655 /nfs/dbraw/zinc/29/76/55/205297655.db2.gz AMUAAZWBVJMCQM-HXUWFJFHSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774730 205297657 /nfs/dbraw/zinc/29/76/57/205297657.db2.gz AMUAAZWBVJMCQM-HXUWFJFHSA-N 2 2 396.535 2.976 50 0 GFAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000077321854 205359532 /nfs/dbraw/zinc/35/95/32/205359532.db2.gz VTRAHWPBLIHKNE-UHFFFAOYSA-N 2 2 375.492 2.887 50 0 GFAALP NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000223797970 206005721 /nfs/dbraw/zinc/00/57/21/206005721.db2.gz HEFQWIUCYCMLMJ-HNNXBMFYSA-N 2 2 376.888 2.703 50 0 GFAALP NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000223797970 206005725 /nfs/dbraw/zinc/00/57/25/206005725.db2.gz HEFQWIUCYCMLMJ-HNNXBMFYSA-N 2 2 376.888 2.703 50 0 GFAALP CSc1nc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)cc(N)[nH+]1 ZINC000095525890 136181464 /nfs/dbraw/zinc/18/14/64/136181464.db2.gz ZRNVJTXIOBBCAS-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)[nH+]1 ZINC000095525890 136181465 /nfs/dbraw/zinc/18/14/65/136181465.db2.gz ZRNVJTXIOBBCAS-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP C[N@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1O ZINC000020204093 570247703 /nfs/dbraw/zinc/24/77/03/570247703.db2.gz FRCKIZFTWLYEKD-FGZHOGPDSA-N 2 2 395.547 2.905 50 0 GFAALP C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1O ZINC000020204093 570247707 /nfs/dbraw/zinc/24/77/07/570247707.db2.gz FRCKIZFTWLYEKD-FGZHOGPDSA-N 2 2 395.547 2.905 50 0 GFAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1O ZINC000020204093 570247712 /nfs/dbraw/zinc/24/77/12/570247712.db2.gz FRCKIZFTWLYEKD-FGZHOGPDSA-N 2 2 395.547 2.905 50 0 GFAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1O ZINC000020204093 570247714 /nfs/dbraw/zinc/24/77/14/570247714.db2.gz FRCKIZFTWLYEKD-FGZHOGPDSA-N 2 2 395.547 2.905 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(F)cc1Cl ZINC000022074895 570304834 /nfs/dbraw/zinc/30/48/34/570304834.db2.gz HJRUCJSFHCPSTO-UHFFFAOYSA-N 2 2 382.863 2.738 50 0 GFAALP O=C(CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)Nc1cccc(F)c1 ZINC000022924765 570336054 /nfs/dbraw/zinc/33/60/54/570336054.db2.gz MPVYCXOAPSSIPT-UHFFFAOYSA-N 2 2 393.466 2.768 50 0 GFAALP COc1ccc2[nH]c(CCN(C)C(=O)CC[NH+]3Cc4ccccc4C3)[nH+]c2c1 ZINC000222485026 570412306 /nfs/dbraw/zinc/41/23/06/570412306.db2.gz IRUWOQGQPWEYOV-UHFFFAOYSA-N 2 2 378.476 2.978 50 0 GFAALP C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000222861747 570429155 /nfs/dbraw/zinc/42/91/55/570429155.db2.gz GCGXMSYLJHLRQS-UHFFFAOYSA-N 2 2 384.476 2.758 50 0 GFAALP C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000222861747 570429158 /nfs/dbraw/zinc/42/91/58/570429158.db2.gz GCGXMSYLJHLRQS-UHFFFAOYSA-N 2 2 384.476 2.758 50 0 GFAALP COCC[N@@H+](Cc1cnn(C)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012835972 570723461 /nfs/dbraw/zinc/72/34/61/570723461.db2.gz GYCIGSGNSFXLDD-IBGZPJMESA-N 2 2 382.552 2.748 50 0 GFAALP COCC[N@H+](Cc1cnn(C)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012835972 570723465 /nfs/dbraw/zinc/72/34/65/570723465.db2.gz GYCIGSGNSFXLDD-IBGZPJMESA-N 2 2 382.552 2.748 50 0 GFAALP COCC[NH+](Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012835972 570723466 /nfs/dbraw/zinc/72/34/66/570723466.db2.gz GYCIGSGNSFXLDD-IBGZPJMESA-N 2 2 382.552 2.748 50 0 GFAALP COCC[NH+](Cc1cnn(C)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012835972 570723470 /nfs/dbraw/zinc/72/34/70/570723470.db2.gz GYCIGSGNSFXLDD-IBGZPJMESA-N 2 2 382.552 2.748 50 0 GFAALP COc1ccc(C[N@@H+]2CCc3oc(C)c(C(=O)NC4CC[NH+](C)CC4)c3C2)cc1 ZINC000065289723 570785448 /nfs/dbraw/zinc/78/54/48/570785448.db2.gz XUYWEGZXJFKTQH-UHFFFAOYSA-N 2 2 397.519 2.979 50 0 GFAALP COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)NC4CC[NH+](C)CC4)c3C2)cc1 ZINC000065289723 570785452 /nfs/dbraw/zinc/78/54/52/570785452.db2.gz XUYWEGZXJFKTQH-UHFFFAOYSA-N 2 2 397.519 2.979 50 0 GFAALP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616840 570874395 /nfs/dbraw/zinc/87/43/95/570874395.db2.gz INPCZXPBOHDWBT-LEWJYISDSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616840 570874397 /nfs/dbraw/zinc/87/43/97/570874397.db2.gz INPCZXPBOHDWBT-LEWJYISDSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616840 570874400 /nfs/dbraw/zinc/87/44/00/570874400.db2.gz INPCZXPBOHDWBT-LEWJYISDSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616840 570874404 /nfs/dbraw/zinc/87/44/04/570874404.db2.gz INPCZXPBOHDWBT-LEWJYISDSA-N 2 2 384.524 2.924 50 0 GFAALP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095372294 571061717 /nfs/dbraw/zinc/06/17/17/571061717.db2.gz MYRLKKLVMQXCRZ-GHTZIAJQSA-N 2 2 378.520 2.754 50 0 GFAALP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095372294 571061719 /nfs/dbraw/zinc/06/17/19/571061719.db2.gz MYRLKKLVMQXCRZ-GHTZIAJQSA-N 2 2 378.520 2.754 50 0 GFAALP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc(F)c1 ZINC000095383470 571069032 /nfs/dbraw/zinc/06/90/32/571069032.db2.gz PWZXAKNQNZNSOL-NRFANRHFSA-N 2 2 385.483 2.915 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000095511338 571082198 /nfs/dbraw/zinc/08/21/98/571082198.db2.gz HBYVTJDXOIBUMT-OAHLLOKOSA-N 2 2 386.525 2.564 50 0 GFAALP Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095527562 571091636 /nfs/dbraw/zinc/09/16/36/571091636.db2.gz PRHPGMHOZFXZHH-MRXNPFEDSA-N 2 2 378.480 2.799 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH2+][C@H](C)C4)csc3C2)nc1 ZINC000426518842 529642979 /nfs/dbraw/zinc/64/29/79/529642979.db2.gz SRMIAPBZHJDOJK-OAHLLOKOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH2+][C@H](C)C4)csc3C2)nc1 ZINC000426518842 529642980 /nfs/dbraw/zinc/64/29/80/529642980.db2.gz SRMIAPBZHJDOJK-OAHLLOKOSA-N 2 2 384.549 2.698 50 0 GFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011819315 204355069 /nfs/dbraw/zinc/35/50/69/204355069.db2.gz CCCUCYKVMIBYQH-HXUWFJFHSA-N 2 2 386.540 2.761 50 0 GFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011819315 204355073 /nfs/dbraw/zinc/35/50/73/204355073.db2.gz CCCUCYKVMIBYQH-HXUWFJFHSA-N 2 2 386.540 2.761 50 0 GFAALP Cc1cc(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)[nH+]1 ZINC000065385916 205233491 /nfs/dbraw/zinc/23/34/91/205233491.db2.gz ABAKFIAEPBSPHR-LJQANCHMSA-N 2 2 380.492 2.956 50 0 GFAALP Cc1cc(C)c(NC(=O)c2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)[nH+]1 ZINC000065385916 205233494 /nfs/dbraw/zinc/23/34/94/205233494.db2.gz ABAKFIAEPBSPHR-LJQANCHMSA-N 2 2 380.492 2.956 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)CCC3CCCCC3)CC2)[nH+]cn1 ZINC000067613890 205250603 /nfs/dbraw/zinc/25/06/03/205250603.db2.gz SQZFNTDJVOMQFM-UHFFFAOYSA-N 2 2 382.512 2.980 50 0 GFAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723671 205256395 /nfs/dbraw/zinc/25/63/95/205256395.db2.gz AGVZRWZDYXTWOE-NRFANRHFSA-N 2 2 387.568 2.688 50 0 GFAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723671 205256397 /nfs/dbraw/zinc/25/63/97/205256397.db2.gz AGVZRWZDYXTWOE-NRFANRHFSA-N 2 2 387.568 2.688 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3c(F)cccc3Cl)[nH+]cn2)c1C ZINC000072115944 205304461 /nfs/dbraw/zinc/30/44/61/205304461.db2.gz HVBQYAJHRILOLG-UHFFFAOYSA-N 2 2 388.834 2.914 50 0 GFAALP Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000071767861 205294800 /nfs/dbraw/zinc/29/48/00/205294800.db2.gz KZQKMISQMDLYPU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000071767861 205294805 /nfs/dbraw/zinc/29/48/05/205294805.db2.gz KZQKMISQMDLYPU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2nc(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000071767861 205294809 /nfs/dbraw/zinc/29/48/09/205294809.db2.gz KZQKMISQMDLYPU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2nc(CN(C)C(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000071767861 205294812 /nfs/dbraw/zinc/29/48/12/205294812.db2.gz KZQKMISQMDLYPU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000071767860 205295397 /nfs/dbraw/zinc/29/53/97/205295397.db2.gz KZQKMISQMDLYPU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000071767860 205295402 /nfs/dbraw/zinc/29/54/02/205295402.db2.gz KZQKMISQMDLYPU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2nc(CN(C)C(=O)[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000071767860 205295406 /nfs/dbraw/zinc/29/54/06/205295406.db2.gz KZQKMISQMDLYPU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1ccc2nc(CN(C)C(=O)[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000071767860 205295410 /nfs/dbraw/zinc/29/54/10/205295410.db2.gz KZQKMISQMDLYPU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1noc(-c2ccc(N3CCC(c4[nH+]ccn4CC[NH+](C)C)CC3)nc2)n1 ZINC000095510256 136180735 /nfs/dbraw/zinc/18/07/35/136180735.db2.gz NGLZUYQDRGBHPQ-UHFFFAOYSA-N 2 2 381.484 2.582 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCO)CC1 ZINC000106958437 535156169 /nfs/dbraw/zinc/15/61/69/535156169.db2.gz XQDOJYOODDBRNL-HXUWFJFHSA-N 3 2 382.552 2.981 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCO)CC1 ZINC000106958437 535156171 /nfs/dbraw/zinc/15/61/71/535156171.db2.gz XQDOJYOODDBRNL-HXUWFJFHSA-N 3 2 382.552 2.981 50 0 GFAALP CCN(C)c1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095504073 535764977 /nfs/dbraw/zinc/76/49/77/535764977.db2.gz XQVOSLLAXPUGNH-SFHVURJKSA-N 2 2 377.496 2.957 50 0 GFAALP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000167078696 551632938 /nfs/dbraw/zinc/63/29/38/551632938.db2.gz JIQYLUJAPCZVLK-IRXDYDNUSA-N 2 2 385.599 2.706 50 0 GFAALP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000167078696 551632941 /nfs/dbraw/zinc/63/29/41/551632941.db2.gz JIQYLUJAPCZVLK-IRXDYDNUSA-N 2 2 385.599 2.706 50 0 GFAALP CCn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000096130284 570210340 /nfs/dbraw/zinc/21/03/40/570210340.db2.gz PIAHAAVOJKJVJI-UHFFFAOYSA-N 2 2 385.560 2.787 50 0 GFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101271 570239300 /nfs/dbraw/zinc/23/93/00/570239300.db2.gz IABDOQOBOHHPEU-HXUWFJFHSA-N 2 2 389.507 2.531 50 0 GFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012449391 570668208 /nfs/dbraw/zinc/66/82/08/570668208.db2.gz UAMKDVQJDVRKDC-SFHVURJKSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012449391 570668211 /nfs/dbraw/zinc/66/82/11/570668211.db2.gz UAMKDVQJDVRKDC-SFHVURJKSA-N 2 2 382.508 2.667 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2O)CC1 ZINC000012597007 570689725 /nfs/dbraw/zinc/68/97/25/570689725.db2.gz QRZPLYGJIJECIF-NHCUHLMSSA-N 2 2 380.488 2.978 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2O)CC1 ZINC000012597007 570689726 /nfs/dbraw/zinc/68/97/26/570689726.db2.gz QRZPLYGJIJECIF-NHCUHLMSSA-N 2 2 380.488 2.978 50 0 GFAALP CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095370441 571060806 /nfs/dbraw/zinc/06/08/06/571060806.db2.gz DWZAYABGMAZJHT-GOSISDBHSA-N 2 2 380.496 2.838 50 0 GFAALP CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095370441 571060809 /nfs/dbraw/zinc/06/08/09/571060809.db2.gz DWZAYABGMAZJHT-GOSISDBHSA-N 2 2 380.496 2.838 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000095376827 571064683 /nfs/dbraw/zinc/06/46/83/571064683.db2.gz GQOMCZDBKXOQNE-UHFFFAOYSA-N 2 2 377.439 2.528 50 0 GFAALP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(F)cc1)C2)Cc1cccnc1 ZINC000095377191 571065089 /nfs/dbraw/zinc/06/50/89/571065089.db2.gz VGIWKMBGSAKMMP-RBBKRZOGSA-N 2 2 396.510 2.776 50 0 GFAALP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(F)cc1)C2)Cc1cccnc1 ZINC000095377191 571065093 /nfs/dbraw/zinc/06/50/93/571065093.db2.gz VGIWKMBGSAKMMP-RBBKRZOGSA-N 2 2 396.510 2.776 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2)Cc1cccnc1 ZINC000095377191 571065096 /nfs/dbraw/zinc/06/50/96/571065096.db2.gz VGIWKMBGSAKMMP-RBBKRZOGSA-N 2 2 396.510 2.776 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2)Cc1cccnc1 ZINC000095377191 571065099 /nfs/dbraw/zinc/06/50/99/571065099.db2.gz VGIWKMBGSAKMMP-RBBKRZOGSA-N 2 2 396.510 2.776 50 0 GFAALP O=C(C[NH+]1CCCCCC1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095508739 571080311 /nfs/dbraw/zinc/08/03/11/571080311.db2.gz KQWCAQKRADQVFC-UHFFFAOYSA-N 2 2 381.524 2.908 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095508806 571080314 /nfs/dbraw/zinc/08/03/14/571080314.db2.gz LKTKCOGCWNASIQ-AWEZNQCLSA-N 2 2 377.439 2.528 50 0 GFAALP COCc1ccc(C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000012464972 204414204 /nfs/dbraw/zinc/41/42/04/204414204.db2.gz GHNUZGQCZYCDLT-UHFFFAOYSA-N 2 2 393.491 2.832 50 0 GFAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301372 204391818 /nfs/dbraw/zinc/39/18/18/204391818.db2.gz PARGLWGCCKKSMH-QGZVFWFLSA-N 2 2 378.480 2.765 50 0 GFAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301372 204391822 /nfs/dbraw/zinc/39/18/22/204391822.db2.gz PARGLWGCCKKSMH-QGZVFWFLSA-N 2 2 378.480 2.765 50 0 GFAALP CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3[nH+]ccn3CC)nc2)CC[N@@H+]1C(C)C ZINC000012302739 204391942 /nfs/dbraw/zinc/39/19/42/204391942.db2.gz PQTHPWYUMXITNP-LJQANCHMSA-N 2 2 398.555 2.879 50 0 GFAALP CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3[nH+]ccn3CC)nc2)CC[N@H+]1C(C)C ZINC000012302739 204391947 /nfs/dbraw/zinc/39/19/47/204391947.db2.gz PQTHPWYUMXITNP-LJQANCHMSA-N 2 2 398.555 2.879 50 0 GFAALP CS[C@@H](C)Cc1c(-c2ccccc2)[nH+]cn1CCC[NH+](CCO)CCO ZINC000065422557 205234807 /nfs/dbraw/zinc/23/48/07/205234807.db2.gz MFDXOGLTGJRUOG-KRWDZBQOSA-N 2 2 377.554 2.521 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000067541806 205248008 /nfs/dbraw/zinc/24/80/08/205248008.db2.gz MKNPVZPAAGMLNE-SFHVURJKSA-N 2 2 393.959 2.779 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000067541806 205248012 /nfs/dbraw/zinc/24/80/12/205248012.db2.gz MKNPVZPAAGMLNE-SFHVURJKSA-N 2 2 393.959 2.779 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071711973 205288453 /nfs/dbraw/zinc/28/84/53/205288453.db2.gz LEJBYDGIGJKMMI-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071711973 205288456 /nfs/dbraw/zinc/28/84/56/205288456.db2.gz LEJBYDGIGJKMMI-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071753724 205291802 /nfs/dbraw/zinc/29/18/02/205291802.db2.gz UAUBWOUVYVSVIQ-SFHVURJKSA-N 2 2 385.556 2.697 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071753724 205291806 /nfs/dbraw/zinc/29/18/06/205291806.db2.gz UAUBWOUVYVSVIQ-SFHVURJKSA-N 2 2 385.556 2.697 50 0 GFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759579 205294194 /nfs/dbraw/zinc/29/41/94/205294194.db2.gz YIWWMSBSLPSDMD-FQEVSTJZSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759579 205294200 /nfs/dbraw/zinc/29/42/00/205294200.db2.gz YIWWMSBSLPSDMD-FQEVSTJZSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071759579 205294201 /nfs/dbraw/zinc/29/42/01/205294201.db2.gz YIWWMSBSLPSDMD-FQEVSTJZSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071759579 205294203 /nfs/dbraw/zinc/29/42/03/205294203.db2.gz YIWWMSBSLPSDMD-FQEVSTJZSA-N 2 2 395.551 2.711 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccc(O)cc2)C1 ZINC000095530018 205494264 /nfs/dbraw/zinc/49/42/64/205494264.db2.gz XFLXKKINQLRGDJ-LJQANCHMSA-N 2 2 384.524 2.879 50 0 GFAALP c1cncc(C[NH+]2CCN(Cc3ccc(OC[C@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000299776826 206188556 /nfs/dbraw/zinc/18/85/56/206188556.db2.gz DJNKDUVZYBQVRO-QFIPXVFZSA-N 2 2 380.536 2.778 50 0 GFAALP CC[C@H]1C[N@H+](CC(=O)NCC[C@@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188640 /nfs/dbraw/zinc/18/86/40/206188640.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[N@@H+](CC(=O)NCC[C@@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188643 /nfs/dbraw/zinc/18/86/43/206188643.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[NH+](CC(=O)NCC[C@@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188647 /nfs/dbraw/zinc/18/86/47/206188647.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[NH+](CC(=O)NCC[C@@H]2CCC[N@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188648 /nfs/dbraw/zinc/18/86/48/206188648.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 2 2 379.932 2.914 50 0 GFAALP COc1ccc(N2C(=O)C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000000852436 570226797 /nfs/dbraw/zinc/22/67/97/570226797.db2.gz URNKVWVDUBLFNJ-NRFANRHFSA-N 2 2 393.487 2.581 50 0 GFAALP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000021297287 570290142 /nfs/dbraw/zinc/29/01/42/570290142.db2.gz AXKPFOAXAHJUAG-UHFFFAOYSA-N 2 2 375.488 2.594 50 0 world GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1F ZINC000022075780 570305300 /nfs/dbraw/zinc/30/53/00/570305300.db2.gz ZHKRNSIJWVKPMZ-UHFFFAOYSA-N 2 2 382.863 2.738 50 0 GFAALP C[N@H+](Cc1cc(C(=O)NCc2c[nH+]c3ccccn23)no1)Cc1ccccc1 ZINC000011936494 570593828 /nfs/dbraw/zinc/59/38/28/570593828.db2.gz ZPEZZCVTWXOXLI-UHFFFAOYSA-N 2 2 375.432 2.884 50 0 GFAALP C[N@@H+](Cc1cc(C(=O)NCc2c[nH+]c3ccccn23)no1)Cc1ccccc1 ZINC000011936494 570593832 /nfs/dbraw/zinc/59/38/32/570593832.db2.gz ZPEZZCVTWXOXLI-UHFFFAOYSA-N 2 2 375.432 2.884 50 0 GFAALP COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776733 570798888 /nfs/dbraw/zinc/79/88/88/570798888.db2.gz MUQICPWMGZHQPU-OAQYLSRUSA-N 2 2 394.519 2.966 50 0 GFAALP COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776733 570798891 /nfs/dbraw/zinc/79/88/91/570798891.db2.gz MUQICPWMGZHQPU-OAQYLSRUSA-N 2 2 394.519 2.966 50 0 GFAALP Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095371423 571061256 /nfs/dbraw/zinc/06/12/56/571061256.db2.gz MQDIDJSYZOMNLR-NRFANRHFSA-N 2 2 378.520 2.815 50 0 GFAALP CC[N@@H+]1CCC[C@](C)(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095377379 571065116 /nfs/dbraw/zinc/06/51/16/571065116.db2.gz FZLUSMXBGULTIF-QFIPXVFZSA-N 3 2 389.588 2.663 50 0 GFAALP CC[N@H+]1CCC[C@](C)(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095377379 571065118 /nfs/dbraw/zinc/06/51/18/571065118.db2.gz FZLUSMXBGULTIF-QFIPXVFZSA-N 3 2 389.588 2.663 50 0 GFAALP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095384879 571070049 /nfs/dbraw/zinc/07/00/49/571070049.db2.gz QKNSEDLAVRDMQA-CEWLAPEOSA-N 2 2 377.479 2.694 50 0 GFAALP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095384879 571070050 /nfs/dbraw/zinc/07/00/50/571070050.db2.gz QKNSEDLAVRDMQA-CEWLAPEOSA-N 2 2 377.479 2.694 50 0 GFAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000095505469 571078415 /nfs/dbraw/zinc/07/84/15/571078415.db2.gz XWXPNRLGMHQPSX-UHFFFAOYSA-N 2 2 380.496 2.951 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000095519994 571086055 /nfs/dbraw/zinc/08/60/55/571086055.db2.gz KOMOYXQAVSSREC-UHFFFAOYSA-N 2 2 380.496 2.731 50 0 GFAALP COc1ccc(C[N@H+](C)Cc2ccon2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095531805 571093243 /nfs/dbraw/zinc/09/32/43/571093243.db2.gz URDKGGABNHFPTN-IBGZPJMESA-N 2 2 389.496 2.541 50 0 GFAALP COc1ccc(C[N@@H+](C)Cc2ccon2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095531805 571093245 /nfs/dbraw/zinc/09/32/45/571093245.db2.gz URDKGGABNHFPTN-IBGZPJMESA-N 2 2 389.496 2.541 50 0 GFAALP COc1ccc(NC(=S)NC(=[NH2+])N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003873651 204020618 /nfs/dbraw/zinc/02/06/18/204020618.db2.gz KKUSHOPNGNEGDR-UHFFFAOYSA-N 2 2 383.521 2.734 50 0 GFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000011819314 204356064 /nfs/dbraw/zinc/35/60/64/204356064.db2.gz CCCUCYKVMIBYQH-FQEVSTJZSA-N 2 2 386.540 2.761 50 0 GFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000011819314 204356066 /nfs/dbraw/zinc/35/60/66/204356066.db2.gz CCCUCYKVMIBYQH-FQEVSTJZSA-N 2 2 386.540 2.761 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)[nH+]cn1 ZINC000067620779 205249945 /nfs/dbraw/zinc/24/99/45/205249945.db2.gz GQQRBTRHVNQPJQ-UHFFFAOYSA-N 2 2 376.464 2.550 50 0 GFAALP O=C(Nc1ncns1)c1cccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000067981849 205271124 /nfs/dbraw/zinc/27/11/24/205271124.db2.gz DZSZRDGAOMKLQT-MRXNPFEDSA-N 2 2 382.493 2.899 50 0 GFAALP O=C(Nc1ncns1)c1cccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000067981849 205271127 /nfs/dbraw/zinc/27/11/27/205271127.db2.gz DZSZRDGAOMKLQT-MRXNPFEDSA-N 2 2 382.493 2.899 50 0 GFAALP CC(C)[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071662577 205286023 /nfs/dbraw/zinc/28/60/23/205286023.db2.gz UEKWTWHYUXFSIS-NRFANRHFSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@@H]1C[N@H+](C2CCN(C(=O)c3cnccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071662577 205286027 /nfs/dbraw/zinc/28/60/27/205286027.db2.gz UEKWTWHYUXFSIS-NRFANRHFSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@@H]1C[NH+](C2CCN(C(=O)c3cnccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071662577 205286032 /nfs/dbraw/zinc/28/60/32/205286032.db2.gz UEKWTWHYUXFSIS-NRFANRHFSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@@H]1C[NH+](C2CCN(C(=O)c3cnccn3)CC2)CCC[N@H+]1CC1CC1 ZINC000071662577 205286033 /nfs/dbraw/zinc/28/60/33/205286033.db2.gz UEKWTWHYUXFSIS-NRFANRHFSA-N 2 2 385.556 2.524 50 0 GFAALP CCc1ncc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)cn1 ZINC000082109712 205387653 /nfs/dbraw/zinc/38/76/53/205387653.db2.gz ARIMQBICVVWKOV-UHFFFAOYSA-N 2 2 383.544 2.626 50 0 GFAALP CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000095531745 136181798 /nfs/dbraw/zinc/18/17/98/136181798.db2.gz QUSBMTZLFVKZGB-UHFFFAOYSA-N 2 2 381.524 2.675 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000071315695 222180027 /nfs/dbraw/zinc/18/00/27/222180027.db2.gz JSHKLMVZHCMRNV-IBGZPJMESA-N 2 2 399.535 2.872 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000071315695 222180029 /nfs/dbraw/zinc/18/00/29/222180029.db2.gz JSHKLMVZHCMRNV-IBGZPJMESA-N 2 2 399.535 2.872 50 0 GFAALP CCCC[N@@H+]1CCn2nc(CNC(=O)Cc3ccc4[nH]c(C)[nH+]c4c3)cc2C1 ZINC000426405149 528487353 /nfs/dbraw/zinc/48/73/53/528487353.db2.gz NMFWLNRKTWBNJM-UHFFFAOYSA-N 2 2 380.496 2.542 50 0 GFAALP CCCC[N@H+]1CCn2nc(CNC(=O)Cc3ccc4[nH]c(C)[nH+]c4c3)cc2C1 ZINC000426405149 528487362 /nfs/dbraw/zinc/48/73/62/528487362.db2.gz NMFWLNRKTWBNJM-UHFFFAOYSA-N 2 2 380.496 2.542 50 0 GFAALP CCCC[N@@H+]1CCn2nc(CNC(=O)Cc3ccc4[nH+]c(C)[nH]c4c3)cc2C1 ZINC000426405149 528487368 /nfs/dbraw/zinc/48/73/68/528487368.db2.gz NMFWLNRKTWBNJM-UHFFFAOYSA-N 2 2 380.496 2.542 50 0 GFAALP CCCC[N@H+]1CCn2nc(CNC(=O)Cc3ccc4[nH+]c(C)[nH]c4c3)cc2C1 ZINC000426405149 528487374 /nfs/dbraw/zinc/48/73/74/528487374.db2.gz NMFWLNRKTWBNJM-UHFFFAOYSA-N 2 2 380.496 2.542 50 0 GFAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000022075379 570305411 /nfs/dbraw/zinc/30/54/11/570305411.db2.gz KDRWGLORJRHNRY-UHFFFAOYSA-N 2 2 378.900 2.989 50 0 GFAALP Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)no1 ZINC000012434437 570661689 /nfs/dbraw/zinc/66/16/89/570661689.db2.gz IAGGBLQJCXTKCE-INIZCTEOSA-N 2 2 381.480 2.937 50 0 GFAALP Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2C)no1 ZINC000012434437 570661691 /nfs/dbraw/zinc/66/16/91/570661691.db2.gz IAGGBLQJCXTKCE-INIZCTEOSA-N 2 2 381.480 2.937 50 0 GFAALP c1cncc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536454 571000370 /nfs/dbraw/zinc/00/03/70/571000370.db2.gz QBCDDSOECNCPCU-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP c1cncc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536454 571000373 /nfs/dbraw/zinc/00/03/73/571000373.db2.gz QBCDDSOECNCPCU-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000095353874 571050911 /nfs/dbraw/zinc/05/09/11/571050911.db2.gz RJSHAGVSLYLPJQ-HXUWFJFHSA-N 2 2 382.508 2.545 50 0 GFAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095354921 571051582 /nfs/dbraw/zinc/05/15/82/571051582.db2.gz PWQMJTHECUKGPF-LAUBAEHRSA-N 2 2 380.492 2.588 50 0 GFAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095354921 571051586 /nfs/dbraw/zinc/05/15/86/571051586.db2.gz PWQMJTHECUKGPF-LAUBAEHRSA-N 2 2 380.492 2.588 50 0 GFAALP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000095373276 571062751 /nfs/dbraw/zinc/06/27/51/571062751.db2.gz IGWHKMDBEPTUTC-UHFFFAOYSA-N 3 2 395.551 2.639 50 0 GFAALP Cc1cnccc1-c1cccc(C(=O)N2CCC[N@@H+](C)C3(CC[NH2+]CC3)C2)c1 ZINC000426544382 231238751 /nfs/dbraw/zinc/23/87/51/231238751.db2.gz MMBJUCZUVZUVNL-UHFFFAOYSA-N 2 2 378.520 2.957 50 0 GFAALP Cc1cnccc1-c1cccc(C(=O)N2CCC[N@H+](C)C3(CC[NH2+]CC3)C2)c1 ZINC000426544382 231238755 /nfs/dbraw/zinc/23/87/55/231238755.db2.gz MMBJUCZUVZUVNL-UHFFFAOYSA-N 2 2 378.520 2.957 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H]4CCC[NH2+]C4)csc3C2)nc1 ZINC000426373547 529644956 /nfs/dbraw/zinc/64/49/56/529644956.db2.gz AAESTIMHCJBDPT-KRWDZBQOSA-N 2 2 398.576 2.993 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H]4CCC[NH2+]C4)csc3C2)nc1 ZINC000426373547 529644959 /nfs/dbraw/zinc/64/49/59/529644959.db2.gz AAESTIMHCJBDPT-KRWDZBQOSA-N 2 2 398.576 2.993 50 0 GFAALP COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1OC ZINC000004552750 204051932 /nfs/dbraw/zinc/05/19/32/204051932.db2.gz QVFWTRAZVBUFNE-UHFFFAOYSA-N 2 2 391.556 2.620 50 0 GFAALP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820689 204355778 /nfs/dbraw/zinc/35/57/78/204355778.db2.gz ZOLCHBVKWRICFM-QFIPXVFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820689 204355782 /nfs/dbraw/zinc/35/57/82/204355782.db2.gz ZOLCHBVKWRICFM-QFIPXVFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820689 204355787 /nfs/dbraw/zinc/35/57/87/204355787.db2.gz ZOLCHBVKWRICFM-QFIPXVFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820689 204355790 /nfs/dbraw/zinc/35/57/90/204355790.db2.gz ZOLCHBVKWRICFM-QFIPXVFZSA-N 2 2 380.536 2.727 50 0 GFAALP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)o1 ZINC000011874276 204358576 /nfs/dbraw/zinc/35/85/76/204358576.db2.gz ZVHYBPGHWDLREB-UHFFFAOYSA-N 2 2 396.535 2.976 50 0 GFAALP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055327811 205147090 /nfs/dbraw/zinc/14/70/90/205147090.db2.gz BQJGSMKTNGAARS-LJQANCHMSA-N 2 2 386.540 2.666 50 0 GFAALP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055327811 205147093 /nfs/dbraw/zinc/14/70/93/205147093.db2.gz BQJGSMKTNGAARS-LJQANCHMSA-N 2 2 386.540 2.666 50 0 GFAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000095521588 136181311 /nfs/dbraw/zinc/18/13/11/136181311.db2.gz ALMPRLSOGSVUFP-GOSISDBHSA-N 2 2 377.496 2.875 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@@H](C)c3ncnn3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096153772 136184672 /nfs/dbraw/zinc/18/46/72/136184672.db2.gz ZDMSSUYNJGJSNR-INIZCTEOSA-N 2 2 377.496 2.900 50 0 GFAALP Cc1ccc(OCCn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])cc1 ZINC000020069495 570238392 /nfs/dbraw/zinc/23/83/92/570238392.db2.gz QDHIWXKIMXFZKE-UHFFFAOYSA-N 2 2 380.492 2.642 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1 ZINC000104414286 570257872 /nfs/dbraw/zinc/25/78/72/570257872.db2.gz GAPQAKLBBWOITG-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1 ZINC000104414286 570257875 /nfs/dbraw/zinc/25/78/75/570257875.db2.gz GAPQAKLBBWOITG-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)cc3F)C[C@H]2CCO)CC1 ZINC000104414286 570257878 /nfs/dbraw/zinc/25/78/78/570257878.db2.gz GAPQAKLBBWOITG-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)cc3F)C[C@H]2CCO)CC1 ZINC000104414286 570257880 /nfs/dbraw/zinc/25/78/80/570257880.db2.gz GAPQAKLBBWOITG-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP Cc1cc(C[NH+]2CCC(n3cc(C[N@@H+]4CCC5(CCCC5)C4)nn3)CC2)[nH]n1 ZINC000020911993 570284621 /nfs/dbraw/zinc/28/46/21/570284621.db2.gz WRKRMNBVJKZXNJ-UHFFFAOYSA-N 2 2 383.544 2.913 50 0 GFAALP Cc1cc(C[NH+]2CCC(n3cc(C[N@H+]4CCC5(CCCC5)C4)nn3)CC2)[nH]n1 ZINC000020911993 570284624 /nfs/dbraw/zinc/28/46/24/570284624.db2.gz WRKRMNBVJKZXNJ-UHFFFAOYSA-N 2 2 383.544 2.913 50 0 GFAALP Cc1cc(C[NH+]2CCC(n3cc(C[N@@H+]4CCC5(CCCC5)C4)nn3)CC2)n[nH]1 ZINC000020911993 570284625 /nfs/dbraw/zinc/28/46/25/570284625.db2.gz WRKRMNBVJKZXNJ-UHFFFAOYSA-N 2 2 383.544 2.913 50 0 GFAALP Cc1cc(C[NH+]2CCC(n3cc(C[N@H+]4CCC5(CCCC5)C4)nn3)CC2)n[nH]1 ZINC000020911993 570284628 /nfs/dbraw/zinc/28/46/28/570284628.db2.gz WRKRMNBVJKZXNJ-UHFFFAOYSA-N 2 2 383.544 2.913 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000022925935 570336370 /nfs/dbraw/zinc/33/63/70/570336370.db2.gz BNIMRXBFSNUKOA-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000022925935 570336373 /nfs/dbraw/zinc/33/63/73/570336373.db2.gz BNIMRXBFSNUKOA-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000022925935 570336376 /nfs/dbraw/zinc/33/63/76/570336376.db2.gz BNIMRXBFSNUKOA-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000022925935 570336380 /nfs/dbraw/zinc/33/63/80/570336380.db2.gz BNIMRXBFSNUKOA-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC[NH+]1CCN(C[C@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000239309068 570429026 /nfs/dbraw/zinc/42/90/26/570429026.db2.gz HFDBNPIDCZKBSN-WMZHIEFXSA-N 2 2 396.579 2.641 50 0 GFAALP CC[NH+]1CCN(C[C@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000239309068 570429029 /nfs/dbraw/zinc/42/90/29/570429029.db2.gz HFDBNPIDCZKBSN-WMZHIEFXSA-N 2 2 396.579 2.641 50 0 GFAALP CCCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980643 570869085 /nfs/dbraw/zinc/86/90/85/570869085.db2.gz JGCRGMIRQXGZII-GOSISDBHSA-N 2 2 387.572 2.557 50 0 GFAALP CCCn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980643 570869087 /nfs/dbraw/zinc/86/90/87/570869087.db2.gz JGCRGMIRQXGZII-GOSISDBHSA-N 2 2 387.572 2.557 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 ZINC000426503252 231231434 /nfs/dbraw/zinc/23/14/34/231231434.db2.gz JFZBDELHYNJQHP-INIZCTEOSA-N 2 2 385.512 2.721 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727062 231257217 /nfs/dbraw/zinc/25/72/17/231257217.db2.gz ZIFZVOIAFQIOQA-MRXNPFEDSA-N 2 2 379.512 2.667 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727062 231257219 /nfs/dbraw/zinc/25/72/19/231257219.db2.gz ZIFZVOIAFQIOQA-MRXNPFEDSA-N 2 2 379.512 2.667 50 0 GFAALP CC[C@@H](CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)[NH+](C)C ZINC000426505968 529489472 /nfs/dbraw/zinc/48/94/72/529489472.db2.gz XRMKGMDQJVXTTP-HNNXBMFYSA-N 2 2 390.553 2.981 50 0 GFAALP CC[C@@H](CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)[NH+](C)C ZINC000426505968 529489474 /nfs/dbraw/zinc/48/94/74/529489474.db2.gz XRMKGMDQJVXTTP-HNNXBMFYSA-N 2 2 390.553 2.981 50 0 GFAALP O=C(CC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011818942 204356265 /nfs/dbraw/zinc/35/62/65/204356265.db2.gz OQPIKYOKTMWHRQ-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011818942 204356270 /nfs/dbraw/zinc/35/62/70/204356270.db2.gz OQPIKYOKTMWHRQ-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000047419043 205109876 /nfs/dbraw/zinc/10/98/76/205109876.db2.gz VLFIFXNTARKYMJ-UHFFFAOYSA-N 2 2 393.516 2.817 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]cn1 ZINC000067603636 205250849 /nfs/dbraw/zinc/25/08/49/205250849.db2.gz XGKBRQKWBNPKBW-UHFFFAOYSA-N 2 2 382.855 2.587 50 0 GFAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723675 205256222 /nfs/dbraw/zinc/25/62/22/205256222.db2.gz AGVZRWZDYXTWOE-OAQYLSRUSA-N 2 2 387.568 2.688 50 0 GFAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723675 205256225 /nfs/dbraw/zinc/25/62/25/205256225.db2.gz AGVZRWZDYXTWOE-OAQYLSRUSA-N 2 2 387.568 2.688 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3F)CC2)C1 ZINC000067820068 205262509 /nfs/dbraw/zinc/26/25/09/205262509.db2.gz LEZGTEWDTQXOGE-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3F)CC2)C1 ZINC000067820068 205262514 /nfs/dbraw/zinc/26/25/14/205262514.db2.gz LEZGTEWDTQXOGE-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)[nH+]cn1 ZINC000082230190 205390284 /nfs/dbraw/zinc/39/02/84/205390284.db2.gz PRVQMZOWLNIRQO-UHFFFAOYSA-N 2 2 390.369 2.831 50 0 GFAALP FC(F)(F)c1ccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)nc1 ZINC000252492117 206139426 /nfs/dbraw/zinc/13/94/26/206139426.db2.gz MDEDNZUUOGHFAI-SFHVURJKSA-N 2 2 398.473 2.866 50 0 GFAALP O=C(CC[NH+]1CCC(c2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040062897 132393523 /nfs/dbraw/zinc/39/35/23/132393523.db2.gz UQGALYZQHCBLDQ-UHFFFAOYSA-N 2 2 378.520 3.000 50 0 GFAALP CCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091326095 136176365 /nfs/dbraw/zinc/17/63/65/136176365.db2.gz KHDHLVVJSBUTPU-UHFFFAOYSA-N 2 2 396.539 2.843 50 0 GFAALP CCCc1cc(N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)nc(C)[nH+]1 ZINC000091746301 136177001 /nfs/dbraw/zinc/17/70/01/136177001.db2.gz ZCXUAXWVSICKMA-UHFFFAOYSA-N 2 2 396.539 2.912 50 0 GFAALP CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426488532 528073932 /nfs/dbraw/zinc/07/39/32/528073932.db2.gz ZTACAQDORXEJKO-OAQYLSRUSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426488532 528073948 /nfs/dbraw/zinc/07/39/48/528073948.db2.gz ZTACAQDORXEJKO-OAQYLSRUSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000426488532 528073950 /nfs/dbraw/zinc/07/39/50/528073950.db2.gz ZTACAQDORXEJKO-OAQYLSRUSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000426488532 528073955 /nfs/dbraw/zinc/07/39/55/528073955.db2.gz ZTACAQDORXEJKO-OAQYLSRUSA-N 2 2 377.504 2.648 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)CC1 ZINC000072421253 535156406 /nfs/dbraw/zinc/15/64/06/535156406.db2.gz XQDOJYOODDBRNL-FQEVSTJZSA-N 3 2 382.552 2.981 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)CC1 ZINC000072421253 535156410 /nfs/dbraw/zinc/15/64/10/535156410.db2.gz XQDOJYOODDBRNL-FQEVSTJZSA-N 3 2 382.552 2.981 50 0 GFAALP C[NH+](C)CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000065515771 535932881 /nfs/dbraw/zinc/93/28/81/535932881.db2.gz IWMJPMPYSCMNGE-UHFFFAOYSA-N 2 2 377.492 2.560 50 0 GFAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@@H]2CCC[N@@H+]2CCCn2cccn2)s1 ZINC000020866760 570282637 /nfs/dbraw/zinc/28/26/37/570282637.db2.gz BQMMBMHZOOYTPN-HNNXBMFYSA-N 2 2 384.509 2.825 50 0 GFAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@@H]2CCC[N@H+]2CCCn2cccn2)s1 ZINC000020866760 570282639 /nfs/dbraw/zinc/28/26/39/570282639.db2.gz BQMMBMHZOOYTPN-HNNXBMFYSA-N 2 2 384.509 2.825 50 0 GFAALP [NH3+]C1CC[NH+](CC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000097229018 570909553 /nfs/dbraw/zinc/90/95/53/570909553.db2.gz BCSSZAJQAJLWLX-UHFFFAOYSA-N 2 2 376.888 2.610 50 0 GFAALP CC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095361470 571055582 /nfs/dbraw/zinc/05/55/82/571055582.db2.gz YCXYWIBXKZMUOQ-IBGZPJMESA-N 2 2 378.480 2.642 50 0 GFAALP CC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095361470 571055584 /nfs/dbraw/zinc/05/55/84/571055584.db2.gz YCXYWIBXKZMUOQ-IBGZPJMESA-N 2 2 378.480 2.642 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000095376964 571065154 /nfs/dbraw/zinc/06/51/54/571065154.db2.gz PXZCYFUYTJFROA-UHFFFAOYSA-N 2 2 380.496 2.502 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095378431 571065757 /nfs/dbraw/zinc/06/57/57/571065757.db2.gz JJDCHQTWKSDJNA-IBGZPJMESA-N 2 2 378.480 2.628 50 0 GFAALP O=C(C[N@H+]1CC=C(c2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000009884396 204326750 /nfs/dbraw/zinc/32/67/50/204326750.db2.gz AEJSQBNMGLQPBJ-UHFFFAOYSA-N 2 2 397.563 2.927 50 0 GFAALP O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000009884396 204326755 /nfs/dbraw/zinc/32/67/55/204326755.db2.gz AEJSQBNMGLQPBJ-UHFFFAOYSA-N 2 2 397.563 2.927 50 0 GFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878151 205266472 /nfs/dbraw/zinc/26/64/72/205266472.db2.gz QJECUACMGYWSIW-OIHWHRODSA-N 2 2 397.563 2.735 50 0 GFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878151 205266477 /nfs/dbraw/zinc/26/64/77/205266477.db2.gz QJECUACMGYWSIW-OIHWHRODSA-N 2 2 397.563 2.735 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071388835 205282498 /nfs/dbraw/zinc/28/24/98/205282498.db2.gz BFUITAIJGGWVJN-QGZVFWFLSA-N 2 2 389.515 2.789 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071388835 205282504 /nfs/dbraw/zinc/28/25/04/205282504.db2.gz BFUITAIJGGWVJN-QGZVFWFLSA-N 2 2 389.515 2.789 50 0 GFAALP Cc1ccc(OC2(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC[NH2+]CC2)cc1 ZINC000077504616 205363925 /nfs/dbraw/zinc/36/39/25/205363925.db2.gz OXHGAAJZTFGUFU-UHFFFAOYSA-N 2 2 390.487 2.998 50 0 GFAALP CC(=O)NCc1ccc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)[nH+]c1 ZINC000095501506 136179961 /nfs/dbraw/zinc/17/99/61/136179961.db2.gz ZCYFDLWVLHVVRJ-UHFFFAOYSA-N 2 2 390.491 2.742 50 0 GFAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N(C)C)[nH+]1 ZINC000095504998 136180084 /nfs/dbraw/zinc/18/00/84/136180084.db2.gz BTEMXEBTOGPLKD-HNNXBMFYSA-N 2 2 383.525 2.936 50 0 GFAALP Cc1nc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)sc1C ZINC000096164349 570217871 /nfs/dbraw/zinc/21/78/71/570217871.db2.gz UNLWQOXQZMEBSY-UHFFFAOYSA-N 2 2 385.541 2.821 50 0 GFAALP COc1ccc(OC)c(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c1 ZINC000000809680 570348732 /nfs/dbraw/zinc/34/87/32/570348732.db2.gz VZDLDVIITMXCHP-UHFFFAOYSA-N 2 2 396.491 2.998 50 0 GFAALP CCCCc1noc([C@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000072293180 570494322 /nfs/dbraw/zinc/49/43/22/570494322.db2.gz MKTWHISHXVPAPQ-INIZCTEOSA-N 2 2 393.576 2.889 50 0 GFAALP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1)C1CC1 ZINC000364807426 570602241 /nfs/dbraw/zinc/60/22/41/570602241.db2.gz WDUKAXSPSWOQIK-UHFFFAOYSA-N 2 2 392.569 2.593 50 0 GFAALP O=C([C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1)N1CCCC1 ZINC000014142225 570825273 /nfs/dbraw/zinc/82/52/73/570825273.db2.gz BKRGMOVXAIPINR-QHCPKHFHSA-N 2 2 393.531 2.972 50 0 GFAALP O=C(c1cccc(-c2ccccc2OCCn2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000534593089 570907121 /nfs/dbraw/zinc/90/71/21/570907121.db2.gz CPPXXRQYMLBCJK-UHFFFAOYSA-N 2 2 376.460 2.675 50 0 GFAALP CC[NH+]1CCC(CNC(=O)N(Cc2ccncc2)CC(C)C)([NH+](C)C)CC1 ZINC000534664629 570919044 /nfs/dbraw/zinc/91/90/44/570919044.db2.gz IBRUWBIZTLACPJ-UHFFFAOYSA-N 2 2 375.561 2.665 50 0 GFAALP C[NH+](C)Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000091519021 571012329 /nfs/dbraw/zinc/01/23/29/571012329.db2.gz GUAAYWXNDAXRKU-ZWKOTPCHSA-N 2 2 384.549 2.941 50 0 GFAALP C[NH+](C)Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC000091519021 571012330 /nfs/dbraw/zinc/01/23/30/571012330.db2.gz GUAAYWXNDAXRKU-ZWKOTPCHSA-N 2 2 384.549 2.941 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095506227 571079064 /nfs/dbraw/zinc/07/90/64/571079064.db2.gz YIUNPRZDSFRFQT-UHFFFAOYSA-N 2 2 378.480 2.628 50 0 GFAALP COc1cc(C[NH+]2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521517 571086945 /nfs/dbraw/zinc/08/69/45/571086945.db2.gz KGOIUADLXFACFX-FQEVSTJZSA-N 2 2 392.540 2.532 50 0 GFAALP COc1cc(C[NH+]2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095521517 571086950 /nfs/dbraw/zinc/08/69/50/571086950.db2.gz KGOIUADLXFACFX-FQEVSTJZSA-N 2 2 392.540 2.532 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3)[nH+]c(C)n2)c1C ZINC000072446884 205352490 /nfs/dbraw/zinc/35/24/90/205352490.db2.gz JIBINGZQMZNNMN-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](C4CCOCC4)CC3)CC2)n1 ZINC000245053563 206133266 /nfs/dbraw/zinc/13/32/66/206133266.db2.gz PADZHDSRUYKMNM-UHFFFAOYSA-N 2 2 398.473 2.866 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000095372224 136178523 /nfs/dbraw/zinc/17/85/23/136178523.db2.gz PJZHESAIZIALAK-CYBMUJFWSA-N 2 2 391.401 2.858 50 0 GFAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000095521587 136181127 /nfs/dbraw/zinc/18/11/27/136181127.db2.gz ALMPRLSOGSVUFP-SFHVURJKSA-N 2 2 377.496 2.875 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N[C@H]3CCC[N@@H+](C)C3)csc2C1 ZINC000426489881 534364649 /nfs/dbraw/zinc/36/46/49/534364649.db2.gz HXVBXBQKZJBIJK-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N[C@H]3CCC[N@H+](C)C3)csc2C1 ZINC000426489881 534364658 /nfs/dbraw/zinc/36/46/58/534364658.db2.gz HXVBXBQKZJBIJK-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H]3CCC[NH+](C)C3)csc2C1 ZINC000426489881 534364665 /nfs/dbraw/zinc/36/46/65/534364665.db2.gz HXVBXBQKZJBIJK-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H]3CCC[NH+](C)C3)csc2C1 ZINC000426489881 534364672 /nfs/dbraw/zinc/36/46/72/534364672.db2.gz HXVBXBQKZJBIJK-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000024714473 570281393 /nfs/dbraw/zinc/28/13/93/570281393.db2.gz BBLLKGTUDJBAPT-NRFANRHFSA-N 2 2 392.547 2.714 50 0 GFAALP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000034682372 570300229 /nfs/dbraw/zinc/30/02/29/570300229.db2.gz NKQXRKRDDSROJY-UHFFFAOYSA-N 2 2 396.510 2.536 50 0 GFAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCc2ccccc21 ZINC000025696662 570418264 /nfs/dbraw/zinc/41/82/64/570418264.db2.gz VKWPBUNMDMIPMG-LJQANCHMSA-N 2 2 393.531 2.976 50 0 GFAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCC(=O)NC(C)(C)C ZINC000028426903 570459504 /nfs/dbraw/zinc/45/95/04/570459504.db2.gz GMZYDAFDFCXUDR-UHFFFAOYSA-N 2 2 388.512 2.755 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385425 571070016 /nfs/dbraw/zinc/07/00/16/571070016.db2.gz DCJDZCFIFWNSED-GOSISDBHSA-N 2 2 375.480 2.921 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385425 571070018 /nfs/dbraw/zinc/07/00/18/571070018.db2.gz DCJDZCFIFWNSED-GOSISDBHSA-N 2 2 375.480 2.921 50 0 GFAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3c(cc2C)OCCO3)C1 ZINC000095386105 571070444 /nfs/dbraw/zinc/07/04/44/571070444.db2.gz RHMZZZRNGDTBMG-PKOBYXMFSA-N 2 2 382.508 2.894 50 0 GFAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc3c(cc2C)OCCO3)C1 ZINC000095386105 571070445 /nfs/dbraw/zinc/07/04/45/571070445.db2.gz RHMZZZRNGDTBMG-PKOBYXMFSA-N 2 2 382.508 2.894 50 0 GFAALP COCC[N@@H+]1CC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000095510160 571081489 /nfs/dbraw/zinc/08/14/89/571081489.db2.gz XEZUNWBAWYBRRY-NRFANRHFSA-N 2 2 396.535 2.606 50 0 GFAALP COCC[N@H+]1CC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000095510160 571081491 /nfs/dbraw/zinc/08/14/91/571081491.db2.gz XEZUNWBAWYBRRY-NRFANRHFSA-N 2 2 396.535 2.606 50 0 GFAALP COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000095510161 571081717 /nfs/dbraw/zinc/08/17/17/571081717.db2.gz XEZUNWBAWYBRRY-OAQYLSRUSA-N 2 2 396.535 2.606 50 0 GFAALP COCC[N@H+]1CC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000095510161 571081721 /nfs/dbraw/zinc/08/17/21/571081721.db2.gz XEZUNWBAWYBRRY-OAQYLSRUSA-N 2 2 396.535 2.606 50 0 GFAALP CCCSc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)cn1 ZINC000072480770 208032271 /nfs/dbraw/zinc/03/22/71/208032271.db2.gz HQBYYRPINCIJKP-MRXNPFEDSA-N 2 2 389.573 2.548 50 0 GFAALP CCCSc1ncc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)cn1 ZINC000072480770 208032276 /nfs/dbraw/zinc/03/22/76/208032276.db2.gz HQBYYRPINCIJKP-MRXNPFEDSA-N 2 2 389.573 2.548 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082116220 208080216 /nfs/dbraw/zinc/08/02/16/208080216.db2.gz UXXWMYHBZXGWON-LJQANCHMSA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082116220 208080222 /nfs/dbraw/zinc/08/02/22/208080222.db2.gz UXXWMYHBZXGWON-LJQANCHMSA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082116220 208080229 /nfs/dbraw/zinc/08/02/29/208080229.db2.gz UXXWMYHBZXGWON-LJQANCHMSA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082116220 208080232 /nfs/dbraw/zinc/08/02/32/208080232.db2.gz UXXWMYHBZXGWON-LJQANCHMSA-N 2 2 394.610 2.505 50 0 GFAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000091526081 208122604 /nfs/dbraw/zinc/12/26/04/208122604.db2.gz WDVAZKFMBKMKRB-UHFFFAOYSA-N 2 2 376.508 2.965 50 0 GFAALP Cn1cc[nH+]c1CC[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000091434349 208117404 /nfs/dbraw/zinc/11/74/04/208117404.db2.gz WTRIFSIUSSOXJS-UHFFFAOYSA-N 2 2 380.536 2.910 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1 ZINC000095370014 208166730 /nfs/dbraw/zinc/16/67/30/208166730.db2.gz OJMZKIIDVIFHCF-INIZCTEOSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1 ZINC000095370014 208166735 /nfs/dbraw/zinc/16/67/35/208166735.db2.gz OJMZKIIDVIFHCF-INIZCTEOSA-N 2 2 384.459 2.587 50 0 GFAALP O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)N1Cc1ccccn1 ZINC000095512068 208214742 /nfs/dbraw/zinc/21/47/42/208214742.db2.gz RKRAHFGWTBLPGN-SIKLNZKXSA-N 2 2 387.487 2.890 50 0 GFAALP O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)N1Cc1ccccn1 ZINC000095512068 208214747 /nfs/dbraw/zinc/21/47/47/208214747.db2.gz RKRAHFGWTBLPGN-SIKLNZKXSA-N 2 2 387.487 2.890 50 0 GFAALP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096153811 208278969 /nfs/dbraw/zinc/27/89/69/208278969.db2.gz JDXSSUMAIHXWNH-GOSISDBHSA-N 2 2 383.496 2.659 50 0 GFAALP Cc1cccn2c(CC(=O)N[C@H]3CCC[N@H+](Cc4cccc(O)c4)C3)c[nH+]c12 ZINC000097729587 208360989 /nfs/dbraw/zinc/36/09/89/208360989.db2.gz GNTIITWENONDBN-SFHVURJKSA-N 2 2 378.476 2.672 50 0 GFAALP Cc1cccn2c(CC(=O)N[C@H]3CCC[N@@H+](Cc4cccc(O)c4)C3)c[nH+]c12 ZINC000097729587 208360993 /nfs/dbraw/zinc/36/09/93/208360993.db2.gz GNTIITWENONDBN-SFHVURJKSA-N 2 2 378.476 2.672 50 0 GFAALP Cc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)Cn3cc[nH+]c3)O2)CC1 ZINC000299782048 209089301 /nfs/dbraw/zinc/08/93/01/209089301.db2.gz FKXATPCJYACWTR-HXUWFJFHSA-N 2 2 382.508 2.522 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000095365512 136178284 /nfs/dbraw/zinc/17/82/84/136178284.db2.gz NHRGVJIUUTWBOF-LJQANCHMSA-N 3 2 377.496 2.564 50 0 GFAALP C[NH+]1CCN(Cc2ccc(N3CCC[C@H](c4[nH+]ccn4CC4CC4)C3)nc2)CC1 ZINC000095518499 136180836 /nfs/dbraw/zinc/18/08/36/136180836.db2.gz RLGJCFWWPVRNTD-NRFANRHFSA-N 2 2 394.567 2.820 50 0 GFAALP C[NH+]1CCN(c2nnc3n2-c2ccc(Cl)cc2[C@@H](c2ccccc2)[NH2+]C3)CC1 ZINC000005529564 570444465 /nfs/dbraw/zinc/44/44/65/570444465.db2.gz MELAHTGRERHHBZ-HXUWFJFHSA-N 2 2 394.910 2.865 50 0 GFAALP COc1cccc(C[N@H+](C)C2CCCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000039371736 570590122 /nfs/dbraw/zinc/59/01/22/570590122.db2.gz SZPPXEZYQUSNOD-HXUWFJFHSA-N 2 2 392.540 2.532 50 0 GFAALP COc1cccc(C[N@@H+](C)C2CCCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000039371736 570590125 /nfs/dbraw/zinc/59/01/25/570590125.db2.gz SZPPXEZYQUSNOD-HXUWFJFHSA-N 2 2 392.540 2.532 50 0 GFAALP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)cc4)CC3)o2)CC1 ZINC000034668294 570648922 /nfs/dbraw/zinc/64/89/22/570648922.db2.gz SWAQDJRQUBLWFG-UHFFFAOYSA-N 2 2 396.535 2.688 50 0 GFAALP O=C1O[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2N1CCC[NH+]1CCOCC1 ZINC000067841560 570793622 /nfs/dbraw/zinc/79/36/22/570793622.db2.gz RUCXKEVZLNYBIT-FCHUYYIVSA-N 2 2 395.503 2.567 50 0 GFAALP O=C1O[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2N1CCC[NH+]1CCOCC1 ZINC000067841560 570793624 /nfs/dbraw/zinc/79/36/24/570793624.db2.gz RUCXKEVZLNYBIT-FCHUYYIVSA-N 2 2 395.503 2.567 50 0 GFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012541026 570841236 /nfs/dbraw/zinc/84/12/36/570841236.db2.gz RFVJHKULARYHMH-OAQYLSRUSA-N 2 2 378.476 2.534 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CC[NH2+]C[C@@H]4C)csc3C2)nc1 ZINC000426407572 529644331 /nfs/dbraw/zinc/64/43/31/529644331.db2.gz NTDXRFFSSCSXCA-MGPUTAFESA-N 2 2 398.576 2.992 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CC[NH2+]C[C@@H]4C)csc3C2)nc1 ZINC000426407572 529644333 /nfs/dbraw/zinc/64/43/33/529644333.db2.gz NTDXRFFSSCSXCA-MGPUTAFESA-N 2 2 398.576 2.992 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)cc2)C3)CC1 ZINC000015779515 207060992 /nfs/dbraw/zinc/06/09/92/207060992.db2.gz ZOMILCSWHJBIBW-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OC)cc2)C3)CC1 ZINC000015779515 207060997 /nfs/dbraw/zinc/06/09/97/207060997.db2.gz ZOMILCSWHJBIBW-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP C[C@H](C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1)[NH+]1CCOCC1 ZINC000019229295 207109649 /nfs/dbraw/zinc/10/96/49/207109649.db2.gz LBAKMJMVOJYEKO-MRXNPFEDSA-N 2 2 388.487 2.732 50 0 GFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020102206 207177245 /nfs/dbraw/zinc/17/72/45/207177245.db2.gz HRENEARRCJVIRH-SFHVURJKSA-N 2 2 395.536 2.593 50 0 GFAALP Cc1c(C)n(CCC[NH+]2CCOCC2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000020649791 207209441 /nfs/dbraw/zinc/20/94/41/207209441.db2.gz TXRDTEGAXCYBOR-UHFFFAOYSA-N 2 2 380.496 2.778 50 0 GFAALP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccc(Cl)cc1 ZINC000023038266 207267711 /nfs/dbraw/zinc/26/77/11/207267711.db2.gz WFFJCYUISYXZAM-UHFFFAOYSA-N 2 2 393.959 2.923 50 0 GFAALP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccc(Cl)cc1 ZINC000023038266 207267714 /nfs/dbraw/zinc/26/77/14/207267714.db2.gz WFFJCYUISYXZAM-UHFFFAOYSA-N 2 2 393.959 2.923 50 0 GFAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095356393 208157418 /nfs/dbraw/zinc/15/74/18/208157418.db2.gz XHYGYDJGPRXDAI-BWAMLYQTSA-N 2 2 375.516 2.901 50 0 GFAALP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095356393 208157424 /nfs/dbraw/zinc/15/74/24/208157424.db2.gz XHYGYDJGPRXDAI-BWAMLYQTSA-N 2 2 375.516 2.901 50 0 GFAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]2CCCO)CC1 ZINC000092037247 208146194 /nfs/dbraw/zinc/14/61/94/208146194.db2.gz OLCHKXMGLTVIQO-XLIONFOSSA-N 2 2 383.939 2.690 50 0 GFAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]2CCCO)CC1 ZINC000092037247 208146202 /nfs/dbraw/zinc/14/62/02/208146202.db2.gz OLCHKXMGLTVIQO-XLIONFOSSA-N 2 2 383.939 2.690 50 0 GFAALP O=C(Cn1cc[nH+]c1-c1ccccc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000092078413 208150563 /nfs/dbraw/zinc/15/05/63/208150563.db2.gz CXUIKGRXELZPBX-UHFFFAOYSA-N 2 2 375.476 2.726 50 0 GFAALP CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248163543 209030872 /nfs/dbraw/zinc/03/08/72/209030872.db2.gz YUNRJXBKEGPSOT-GOSISDBHSA-N 2 2 383.540 2.603 50 0 GFAALP CC(C)n1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248163543 209030875 /nfs/dbraw/zinc/03/08/75/209030875.db2.gz YUNRJXBKEGPSOT-GOSISDBHSA-N 2 2 383.540 2.603 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccs4)CC3)[nH+]c(C)n2)c1C ZINC000082230651 136174670 /nfs/dbraw/zinc/17/46/70/136174670.db2.gz ISPCGPGQUNCOSS-UHFFFAOYSA-N 2 2 382.493 2.611 50 0 GFAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(c4cccc(O)c4)CC3)c2cc1C ZINC000132833276 136192932 /nfs/dbraw/zinc/19/29/32/136192932.db2.gz VLVBKNDJBWOQJA-HXUWFJFHSA-N 2 2 380.492 2.542 50 0 GFAALP Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(c4cc[nH+]cc4Cl)CC3)c2cc1C ZINC000162479171 136203016 /nfs/dbraw/zinc/20/30/16/136203016.db2.gz SKWGFJFFWUFMBE-QGZVFWFLSA-N 2 2 399.926 2.885 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N(C)[C@H]3CC[N@H+](C)C3)csc2C1 ZINC000426737544 534360070 /nfs/dbraw/zinc/36/00/70/534360070.db2.gz TUJNCYXFEBNIAE-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426737544 534360084 /nfs/dbraw/zinc/36/00/84/534360084.db2.gz TUJNCYXFEBNIAE-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H]3CC[NH+](C)C3)csc2C1 ZINC000426737544 534360091 /nfs/dbraw/zinc/36/00/91/534360091.db2.gz TUJNCYXFEBNIAE-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H]3CC[NH+](C)C3)csc2C1 ZINC000426737544 534360105 /nfs/dbraw/zinc/36/01/05/534360105.db2.gz TUJNCYXFEBNIAE-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP CC[N@@H+]1CC[C@H](NC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426465293 527878601 /nfs/dbraw/zinc/87/86/01/527878601.db2.gz RBGQWBWRXQDCLX-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP CC[N@H+]1CC[C@H](NC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426465293 527878608 /nfs/dbraw/zinc/87/86/08/527878608.db2.gz RBGQWBWRXQDCLX-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP CC[NH+]1CC[C@H](NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426465293 527878610 /nfs/dbraw/zinc/87/86/10/527878610.db2.gz RBGQWBWRXQDCLX-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP CC[NH+]1CC[C@H](NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426465293 527878616 /nfs/dbraw/zinc/87/86/16/527878616.db2.gz RBGQWBWRXQDCLX-HNNXBMFYSA-N 2 2 388.537 2.735 50 0 GFAALP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000020477676 551115426 /nfs/dbraw/zinc/11/54/26/551115426.db2.gz HSVWYACLDDTQRY-UHFFFAOYSA-N 2 2 379.298 2.700 50 0 GFAALP O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004676944 570392575 /nfs/dbraw/zinc/39/25/75/570392575.db2.gz BCUYNVWVMXPHKO-UHFFFAOYSA-N 2 2 378.520 2.638 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000039489797 570592511 /nfs/dbraw/zinc/59/25/11/570592511.db2.gz ZGYMLCPHDOXHEO-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000039489797 570592514 /nfs/dbraw/zinc/59/25/14/570592514.db2.gz ZGYMLCPHDOXHEO-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000039489797 570592516 /nfs/dbraw/zinc/59/25/16/570592516.db2.gz ZGYMLCPHDOXHEO-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000039489797 570592520 /nfs/dbraw/zinc/59/25/20/570592520.db2.gz ZGYMLCPHDOXHEO-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP Cc1nc(C2CC[NH2+]CC2)cc(N2CCc3[nH+]c[nH]c3[C@@H]2c2cccnc2)n1 ZINC000067821517 570793194 /nfs/dbraw/zinc/79/31/94/570793194.db2.gz OAEBWFFSGCPSSC-NRFANRHFSA-N 2 2 375.480 2.522 50 0 GFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012541028 570841304 /nfs/dbraw/zinc/84/13/04/570841304.db2.gz RFVJHKULARYHMH-NRFANRHFSA-N 2 2 378.476 2.534 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)[nH+]c(C)n2)c1C ZINC000072115457 570866066 /nfs/dbraw/zinc/86/60/66/570866066.db2.gz WSZJJYWUZHXRSM-UHFFFAOYSA-N 2 2 394.454 2.689 50 0 GFAALP O=C([C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1)N1CCCC1 ZINC000014142226 207012882 /nfs/dbraw/zinc/01/28/82/207012882.db2.gz BKRGMOVXAIPINR-HSZRJFAPSA-N 2 2 393.531 2.972 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015080506 207047253 /nfs/dbraw/zinc/04/72/53/207047253.db2.gz WEKHEZOLYLSJDD-FQEVSTJZSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015080506 207047255 /nfs/dbraw/zinc/04/72/55/207047255.db2.gz WEKHEZOLYLSJDD-FQEVSTJZSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[N@H+](C)Cc1ccncc1)[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000015080506 207047259 /nfs/dbraw/zinc/04/72/59/207047259.db2.gz WEKHEZOLYLSJDD-FQEVSTJZSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[N@@H+](C)Cc1ccncc1)[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000015080506 207047261 /nfs/dbraw/zinc/04/72/61/207047261.db2.gz WEKHEZOLYLSJDD-FQEVSTJZSA-N 2 2 384.499 2.776 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000012710126 207329433 /nfs/dbraw/zinc/32/94/33/207329433.db2.gz GHQJPEJMZFHNCF-WOJBJXKFSA-N 2 2 390.911 2.992 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000012710126 207329436 /nfs/dbraw/zinc/32/94/36/207329436.db2.gz GHQJPEJMZFHNCF-WOJBJXKFSA-N 2 2 390.911 2.992 50 0 GFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc2n(n1)CCCN(C(=O)c1ccccc1)C2 ZINC000072430529 208025994 /nfs/dbraw/zinc/02/59/94/208025994.db2.gz JNRGCTAOLASOTI-UHFFFAOYSA-N 2 2 392.507 2.566 50 0 GFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc2n(n1)CCCN(C(=O)c1ccccc1)C2 ZINC000072430529 208026001 /nfs/dbraw/zinc/02/60/01/208026001.db2.gz JNRGCTAOLASOTI-UHFFFAOYSA-N 2 2 392.507 2.566 50 0 GFAALP COc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091656040 208129692 /nfs/dbraw/zinc/12/96/92/208129692.db2.gz OUJDGPFTPUFDGD-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091656040 208129693 /nfs/dbraw/zinc/12/96/93/208129693.db2.gz OUJDGPFTPUFDGD-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091656040 208129700 /nfs/dbraw/zinc/12/97/00/208129700.db2.gz OUJDGPFTPUFDGD-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091656040 208129707 /nfs/dbraw/zinc/12/97/07/208129707.db2.gz OUJDGPFTPUFDGD-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000095497441 208198968 /nfs/dbraw/zinc/19/89/68/208198968.db2.gz QNHIUNLPXZCKBZ-KRWDZBQOSA-N 2 2 380.496 2.502 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012790 208254414 /nfs/dbraw/zinc/25/44/14/208254414.db2.gz ZMQKDFKMZJAMDT-QHCPKHFHSA-N 2 2 392.547 2.599 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012790 208254422 /nfs/dbraw/zinc/25/44/22/208254422.db2.gz ZMQKDFKMZJAMDT-QHCPKHFHSA-N 2 2 392.547 2.599 50 0 GFAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000096164815 208280905 /nfs/dbraw/zinc/28/09/05/208280905.db2.gz VGZBIZZKXADZTI-UHFFFAOYSA-N 2 2 380.496 2.931 50 0 GFAALP CCc1cc(C[N@@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@H](CO)C2)n[nH]1 ZINC000097657147 208359670 /nfs/dbraw/zinc/35/96/70/208359670.db2.gz QTIBLYVKJYMKIL-KRWDZBQOSA-N 2 2 380.602 2.622 50 0 GFAALP CCc1cc(C[N@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@H](CO)C2)n[nH]1 ZINC000097657147 208359675 /nfs/dbraw/zinc/35/96/75/208359675.db2.gz QTIBLYVKJYMKIL-KRWDZBQOSA-N 2 2 380.602 2.622 50 0 GFAALP Cc1nc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc(C(C)C)[nH+]1 ZINC000230188211 209006352 /nfs/dbraw/zinc/00/63/52/209006352.db2.gz KTRQEVZUUCPYOO-JOCHJYFZSA-N 2 2 385.556 2.822 50 0 GFAALP Cc1nc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc(C(C)C)[nH+]1 ZINC000230188211 209006355 /nfs/dbraw/zinc/00/63/55/209006355.db2.gz KTRQEVZUUCPYOO-JOCHJYFZSA-N 2 2 385.556 2.822 50 0 GFAALP Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000001788887 136193338 /nfs/dbraw/zinc/19/33/38/136193338.db2.gz UMZKXUXCPWIZBL-UHFFFAOYSA-N 2 2 384.524 2.611 50 0 GFAALP Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000001788887 136193339 /nfs/dbraw/zinc/19/33/39/136193339.db2.gz UMZKXUXCPWIZBL-UHFFFAOYSA-N 2 2 384.524 2.611 50 0 GFAALP CC[NH+](CC)CC(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000012309026 570640359 /nfs/dbraw/zinc/64/03/59/570640359.db2.gz TXJFZCCXOYPTTE-UHFFFAOYSA-N 2 2 395.551 2.675 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000067805554 570792383 /nfs/dbraw/zinc/79/23/83/570792383.db2.gz OJLHVQUPKUOTCJ-LJQANCHMSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000067805554 570792387 /nfs/dbraw/zinc/79/23/87/570792387.db2.gz OJLHVQUPKUOTCJ-LJQANCHMSA-N 2 2 396.535 2.976 50 0 GFAALP COc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071763837 570850722 /nfs/dbraw/zinc/85/07/22/570850722.db2.gz ZENCUWWUELSXMY-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP COc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071763837 570850726 /nfs/dbraw/zinc/85/07/26/570850726.db2.gz ZENCUWWUELSXMY-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2O)CC1 ZINC000020325448 207188975 /nfs/dbraw/zinc/18/89/75/207188975.db2.gz ZJJCRQUAHUCQPE-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2O)CC1 ZINC000020325448 207188978 /nfs/dbraw/zinc/18/89/78/207188978.db2.gz ZJJCRQUAHUCQPE-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP Clc1ccc(Cn2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1 ZINC000020591577 207205335 /nfs/dbraw/zinc/20/53/35/207205335.db2.gz HXQWFZLDHSYMBC-UHFFFAOYSA-N 2 2 386.887 2.662 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875036 207218215 /nfs/dbraw/zinc/21/82/15/207218215.db2.gz JTZGNOATAXPJTG-UHFFFAOYSA-N 2 2 378.900 2.908 50 0 GFAALP O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023652256 207279865 /nfs/dbraw/zinc/27/98/65/207279865.db2.gz ZUTGZBUZGCQQJA-VQTJNVASSA-N 2 2 399.535 2.572 50 0 GFAALP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023652256 207279869 /nfs/dbraw/zinc/27/98/69/207279869.db2.gz ZUTGZBUZGCQQJA-VQTJNVASSA-N 2 2 399.535 2.572 50 0 GFAALP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000091574379 208122634 /nfs/dbraw/zinc/12/26/34/208122634.db2.gz ULVWEFZNXKUALN-HXUWFJFHSA-N 2 2 385.458 2.950 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1 ZINC000095366298 208163655 /nfs/dbraw/zinc/16/36/55/208163655.db2.gz XJNLJFWMWKHNCK-SFHVURJKSA-N 2 2 376.545 2.746 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1 ZINC000095370013 208165376 /nfs/dbraw/zinc/16/53/76/208165376.db2.gz OJMZKIIDVIFHCF-MRXNPFEDSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1 ZINC000095370013 208165381 /nfs/dbraw/zinc/16/53/81/208165381.db2.gz OJMZKIIDVIFHCF-MRXNPFEDSA-N 2 2 384.459 2.587 50 0 GFAALP CCCCSc1nc(NCC2([NH+]3CCN(C)CC3)CCCC2)cc(N)[nH+]1 ZINC000095373861 208169832 /nfs/dbraw/zinc/16/98/32/208169832.db2.gz UCUVYDYWOFXGFE-UHFFFAOYSA-N 2 2 378.590 2.923 50 0 GFAALP CCCCSc1nc(NCC2(N3CC[NH+](C)CC3)CCCC2)cc(N)[nH+]1 ZINC000095373861 208169839 /nfs/dbraw/zinc/16/98/39/208169839.db2.gz UCUVYDYWOFXGFE-UHFFFAOYSA-N 2 2 378.590 2.923 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000095500024 208199927 /nfs/dbraw/zinc/19/99/27/208199927.db2.gz LXFAJUPMRXUWPF-OAHLLOKOSA-N 2 2 375.904 2.903 50 0 GFAALP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000095500562 208201933 /nfs/dbraw/zinc/20/19/33/208201933.db2.gz WPRCCOJBRFHHCT-HXUWFJFHSA-N 3 2 395.551 2.639 50 0 GFAALP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000095500562 208201939 /nfs/dbraw/zinc/20/19/39/208201939.db2.gz WPRCCOJBRFHHCT-HXUWFJFHSA-N 3 2 395.551 2.639 50 0 GFAALP CCn1c2ccccc2nc1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000096152103 208277629 /nfs/dbraw/zinc/27/76/29/208277629.db2.gz UOHNXUFZRNILCZ-UHFFFAOYSA-N 2 2 381.528 2.626 50 0 GFAALP Nc1ncccc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000096179969 208284704 /nfs/dbraw/zinc/28/47/04/208284704.db2.gz GVCDYRGDVRKMHE-UHFFFAOYSA-N 2 2 381.528 2.566 50 0 GFAALP Cc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)Cn3cc[nH+]c3)O2)CC1 ZINC000299782022 209088114 /nfs/dbraw/zinc/08/81/14/209088114.db2.gz FKXATPCJYACWTR-FQEVSTJZSA-N 2 2 382.508 2.522 50 0 GFAALP Cc1cc(C)c2[nH+]ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](CCO)C3)c2c1 ZINC000106991674 136191612 /nfs/dbraw/zinc/19/16/12/136191612.db2.gz MAHUNNGYNADBDL-FQEVSTJZSA-N 3 2 382.552 2.819 50 0 GFAALP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](CCO)C3)c2c1 ZINC000106991674 136191613 /nfs/dbraw/zinc/19/16/13/136191613.db2.gz MAHUNNGYNADBDL-FQEVSTJZSA-N 3 2 382.552 2.819 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)NC[C@@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426496671 534362050 /nfs/dbraw/zinc/36/20/50/534362050.db2.gz KQHKPVURBMBMJG-HNNXBMFYSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)NC[C@@H]3CC[N@H+](C)C3)csc2C1 ZINC000426496671 534362054 /nfs/dbraw/zinc/36/20/54/534362054.db2.gz KQHKPVURBMBMJG-HNNXBMFYSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@@H]3CC[NH+](C)C3)csc2C1 ZINC000426496671 534362059 /nfs/dbraw/zinc/36/20/59/534362059.db2.gz KQHKPVURBMBMJG-HNNXBMFYSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@@H]3CC[NH+](C)C3)csc2C1 ZINC000426496671 534362063 /nfs/dbraw/zinc/36/20/63/534362063.db2.gz KQHKPVURBMBMJG-HNNXBMFYSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)C[NH+](C)C)csc2C1 ZINC000426489656 534364457 /nfs/dbraw/zinc/36/44/57/534364457.db2.gz PABKTEHQPOCSPZ-GFCCVEGCSA-N 2 2 376.526 2.591 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)C[NH+](C)C)csc2C1 ZINC000426489656 534364466 /nfs/dbraw/zinc/36/44/66/534364466.db2.gz PABKTEHQPOCSPZ-GFCCVEGCSA-N 2 2 376.526 2.591 50 0 GFAALP [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000426422731 534617859 /nfs/dbraw/zinc/61/78/59/534617859.db2.gz CVKURRJMSSAPQE-UHFFFAOYSA-N 2 2 376.888 2.817 50 0 GFAALP OCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751688 566087340 /nfs/dbraw/zinc/08/73/40/566087340.db2.gz QEIQGZXHIWFRRT-YJBOKZPZSA-N 2 2 383.330 2.716 50 0 GFAALP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCCC[C@H]3C2)no1 ZINC000244678926 570433169 /nfs/dbraw/zinc/43/31/69/570433169.db2.gz IMIZNICXKZGDTL-IBGZPJMESA-N 2 2 382.508 2.659 50 0 GFAALP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCCC[C@H]3C2)no1 ZINC000244678926 570433172 /nfs/dbraw/zinc/43/31/72/570433172.db2.gz IMIZNICXKZGDTL-IBGZPJMESA-N 2 2 382.508 2.659 50 0 GFAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)no1 ZINC000244678926 570433176 /nfs/dbraw/zinc/43/31/76/570433176.db2.gz IMIZNICXKZGDTL-IBGZPJMESA-N 2 2 382.508 2.659 50 0 GFAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)no1 ZINC000244678926 570433179 /nfs/dbraw/zinc/43/31/79/570433179.db2.gz IMIZNICXKZGDTL-IBGZPJMESA-N 2 2 382.508 2.659 50 0 GFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000011944565 570450216 /nfs/dbraw/zinc/45/02/16/570450216.db2.gz IARSYPJIOGVURM-OAQYLSRUSA-N 3 2 378.605 2.516 50 0 GFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000011944565 570450218 /nfs/dbraw/zinc/45/02/18/570450218.db2.gz IARSYPJIOGVURM-OAQYLSRUSA-N 3 2 378.605 2.516 50 0 GFAALP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000072294931 570500956 /nfs/dbraw/zinc/50/09/56/570500956.db2.gz FRLKLZAOQUFEJX-UHFFFAOYSA-N 2 2 389.503 2.855 50 0 GFAALP C[NH+]1CCC([N@H+](CCc2ccccc2)Cc2ccccc2OCC(N)=O)CC1 ZINC000063844735 570750832 /nfs/dbraw/zinc/75/08/32/570750832.db2.gz IFLVSTSDARKMNC-UHFFFAOYSA-N 2 2 381.520 2.690 50 0 GFAALP C[NH+]1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2OCC(N)=O)CC1 ZINC000063844735 570750835 /nfs/dbraw/zinc/75/08/35/570750835.db2.gz IFLVSTSDARKMNC-UHFFFAOYSA-N 2 2 381.520 2.690 50 0 GFAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000426374409 231209630 /nfs/dbraw/zinc/20/96/30/231209630.db2.gz QSROMEHQZYYCSI-SFHVURJKSA-N 2 2 375.561 2.532 50 0 GFAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000426374409 231209632 /nfs/dbraw/zinc/20/96/32/231209632.db2.gz QSROMEHQZYYCSI-SFHVURJKSA-N 2 2 375.561 2.532 50 0 GFAALP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1C ZINC000426478125 231226455 /nfs/dbraw/zinc/22/64/55/231226455.db2.gz PUDPVIQQNIVUMJ-GOSISDBHSA-N 2 2 385.560 2.624 50 0 GFAALP CCc1nccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426551045 529759573 /nfs/dbraw/zinc/75/95/73/529759573.db2.gz HGDNDURYVFNHPY-KRWDZBQOSA-N 2 2 383.544 2.533 50 0 GFAALP CCc1nccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426551045 529759574 /nfs/dbraw/zinc/75/95/74/529759574.db2.gz HGDNDURYVFNHPY-KRWDZBQOSA-N 2 2 383.544 2.533 50 0 GFAALP Cc1nc(C[C@@H]2CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421390 206259090 /nfs/dbraw/zinc/25/90/90/206259090.db2.gz INPCZXPBOHDWBT-SFTDATJTSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421390 206259094 /nfs/dbraw/zinc/25/90/94/206259094.db2.gz INPCZXPBOHDWBT-SFTDATJTSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421390 206259097 /nfs/dbraw/zinc/25/90/97/206259097.db2.gz INPCZXPBOHDWBT-SFTDATJTSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@@H]2CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421390 206259100 /nfs/dbraw/zinc/25/91/00/206259100.db2.gz INPCZXPBOHDWBT-SFTDATJTSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(F)cc3F)[nH+]c(C)n2)c1C ZINC000072437250 208026848 /nfs/dbraw/zinc/02/68/48/208026848.db2.gz UWHFYUINFRYCAO-UHFFFAOYSA-N 2 2 386.406 2.708 50 0 GFAALP CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095371655 208168126 /nfs/dbraw/zinc/16/81/26/208168126.db2.gz DMVOWQCVNSKGAB-ZLGUVYLKSA-N 2 2 377.479 2.695 50 0 GFAALP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3ccc(SC)cc3[nH+]2)C[C@@H]1CO ZINC000092081814 208151114 /nfs/dbraw/zinc/15/11/14/208151114.db2.gz HJHKQUUVHQZXGP-IAGOWNOFSA-N 2 2 389.565 2.888 50 0 GFAALP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)c3ccc(SC)cc3[nH+]2)C[C@@H]1CO ZINC000092081814 208151116 /nfs/dbraw/zinc/15/11/16/208151116.db2.gz HJHKQUUVHQZXGP-IAGOWNOFSA-N 2 2 389.565 2.888 50 0 GFAALP COc1ccc(C(=O)NCc2ccc[nH+]c2N)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095518365 208215573 /nfs/dbraw/zinc/21/55/73/208215573.db2.gz GZHRKBUOMCLVDS-UHFFFAOYSA-N 2 2 398.507 2.854 50 0 GFAALP C[NH+](C)Cc1nnc(C2CC[NH+](Cc3cccc4nonc43)CC2)n1C1CC1 ZINC000096148258 208274983 /nfs/dbraw/zinc/27/49/83/208274983.db2.gz QLYGHCYFCCDTCA-UHFFFAOYSA-N 2 2 381.484 2.590 50 0 GFAALP CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248163546 209028354 /nfs/dbraw/zinc/02/83/54/209028354.db2.gz YUNRJXBKEGPSOT-SFHVURJKSA-N 2 2 383.540 2.603 50 0 GFAALP CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248163546 209028359 /nfs/dbraw/zinc/02/83/59/209028359.db2.gz YUNRJXBKEGPSOT-SFHVURJKSA-N 2 2 383.540 2.603 50 0 GFAALP CCOC(=O)N1CCC([NH+]2CCN(c3cc(C(C)C)[nH+]c(C)n3)CC2)CC1 ZINC000065526971 136164219 /nfs/dbraw/zinc/16/42/19/136164219.db2.gz VNTUBKBERPTSLK-UHFFFAOYSA-N 2 2 375.517 2.651 50 0 GFAALP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(N(C)C)[nH+]1 ZINC000095500780 136179893 /nfs/dbraw/zinc/17/98/93/136179893.db2.gz BXHGALUIEQPRSL-UHFFFAOYSA-N 2 2 377.496 2.875 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N3CCC[N@@H+](C)CC3)csc2C1 ZINC000426712644 534360683 /nfs/dbraw/zinc/36/06/83/534360683.db2.gz MPQWLJFDVNHEFV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N3CCC[N@H+](C)CC3)csc2C1 ZINC000426712644 534360690 /nfs/dbraw/zinc/36/06/90/534360690.db2.gz MPQWLJFDVNHEFV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCC[NH+](C)CC3)csc2C1 ZINC000426712644 534360702 /nfs/dbraw/zinc/36/07/02/534360702.db2.gz MPQWLJFDVNHEFV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCC[NH+](C)CC3)csc2C1 ZINC000426712644 534360709 /nfs/dbraw/zinc/36/07/09/534360709.db2.gz MPQWLJFDVNHEFV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)NC[C@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426496672 534360765 /nfs/dbraw/zinc/36/07/65/534360765.db2.gz KQHKPVURBMBMJG-OAHLLOKOSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)NC[C@H]3CC[N@H+](C)C3)csc2C1 ZINC000426496672 534360776 /nfs/dbraw/zinc/36/07/76/534360776.db2.gz KQHKPVURBMBMJG-OAHLLOKOSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@H]3CC[NH+](C)C3)csc2C1 ZINC000426496672 534360783 /nfs/dbraw/zinc/36/07/83/534360783.db2.gz KQHKPVURBMBMJG-OAHLLOKOSA-N 2 2 388.537 2.593 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@H]3CC[NH+](C)C3)csc2C1 ZINC000426496672 534360788 /nfs/dbraw/zinc/36/07/88/534360788.db2.gz KQHKPVURBMBMJG-OAHLLOKOSA-N 2 2 388.537 2.593 50 0 GFAALP OCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751685 566085572 /nfs/dbraw/zinc/08/55/72/566085572.db2.gz QEIQGZXHIWFRRT-CRAIPNDOSA-N 2 2 383.330 2.716 50 0 GFAALP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000459244666 570548744 /nfs/dbraw/zinc/54/87/44/570548744.db2.gz AWXQILBHGDPUOL-QGZVFWFLSA-N 2 2 378.948 2.899 50 0 GFAALP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000459244666 570548745 /nfs/dbraw/zinc/54/87/45/570548745.db2.gz AWXQILBHGDPUOL-QGZVFWFLSA-N 2 2 378.948 2.899 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)[nH+]cn1 ZINC000035598129 570555763 /nfs/dbraw/zinc/55/57/63/570555763.db2.gz PEPBWPNNBNPCGA-UHFFFAOYSA-N 2 2 389.822 2.997 50 0 GFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340410 570625272 /nfs/dbraw/zinc/62/52/72/570625272.db2.gz VKDLFEKSJOCJFG-OAQYLSRUSA-N 2 2 398.551 2.592 50 0 GFAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)[nH]n1 ZINC000012300470 570635940 /nfs/dbraw/zinc/63/59/40/570635940.db2.gz IWRLSHYFEIVIDV-UHFFFAOYSA-N 2 2 398.536 2.797 50 0 GFAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH2+]CCc1ccc(O)cc1 ZINC000003143996 570730026 /nfs/dbraw/zinc/73/00/26/570730026.db2.gz MFLDJOWIRNYTMZ-UHFFFAOYSA-N 2 2 376.460 2.704 50 0 GFAALP CCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000065210852 570730427 /nfs/dbraw/zinc/73/04/27/570730427.db2.gz KUSGKJXRDRZUHD-UHFFFAOYSA-N 2 2 380.536 2.751 50 0 GFAALP CCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000065210852 570730431 /nfs/dbraw/zinc/73/04/31/570730431.db2.gz KUSGKJXRDRZUHD-UHFFFAOYSA-N 2 2 380.536 2.751 50 0 GFAALP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071776834 570853209 /nfs/dbraw/zinc/85/32/09/570853209.db2.gz OUULMRKIDNZXMR-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071776834 570853214 /nfs/dbraw/zinc/85/32/14/570853214.db2.gz OUULMRKIDNZXMR-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534589572 570905711 /nfs/dbraw/zinc/90/57/11/570905711.db2.gz XZZZPRWYOMZNCK-GOSISDBHSA-N 2 2 376.460 2.544 50 0 GFAALP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534589572 570905713 /nfs/dbraw/zinc/90/57/13/570905713.db2.gz XZZZPRWYOMZNCK-GOSISDBHSA-N 2 2 376.460 2.544 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423841 231219562 /nfs/dbraw/zinc/21/95/62/231219562.db2.gz YDDXSTDKVSTPTD-QGZVFWFLSA-N 2 2 383.496 2.519 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423841 231219566 /nfs/dbraw/zinc/21/95/66/231219566.db2.gz YDDXSTDKVSTPTD-QGZVFWFLSA-N 2 2 383.496 2.519 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4CCC[NH2+]C4)csc3C2)nc1 ZINC000426373548 529644067 /nfs/dbraw/zinc/64/40/67/529644067.db2.gz AAESTIMHCJBDPT-QGZVFWFLSA-N 2 2 398.576 2.993 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CCC[NH2+]C4)csc3C2)nc1 ZINC000426373548 529644069 /nfs/dbraw/zinc/64/40/69/529644069.db2.gz AAESTIMHCJBDPT-QGZVFWFLSA-N 2 2 398.576 2.993 50 0 GFAALP c1ccc2c(c1)[nH+]c(NCc1ccc3c(c1)OCO3)n2CC[NH+]1CCOCC1 ZINC000000821039 206323678 /nfs/dbraw/zinc/32/36/78/206323678.db2.gz ADRIUIQJYWHJOC-UHFFFAOYSA-N 2 2 380.448 2.709 50 0 GFAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000019299983 207115619 /nfs/dbraw/zinc/11/56/19/207115619.db2.gz IVTDZFGGHKRRSF-WOJBJXKFSA-N 2 2 377.916 2.522 50 0 GFAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000019299983 207115622 /nfs/dbraw/zinc/11/56/22/207115622.db2.gz IVTDZFGGHKRRSF-WOJBJXKFSA-N 2 2 377.916 2.522 50 0 GFAALP Clc1ccccc1Cn1ncc2c1nc[nH+]c2NCCC[NH+]1CCOCC1 ZINC000020590540 207205105 /nfs/dbraw/zinc/20/51/05/207205105.db2.gz CPCJOBDMHIHWEP-UHFFFAOYSA-N 2 2 386.887 2.662 50 0 GFAALP O=C(NCCC[NH+]1CCC([NH+]2CCCCC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000021094624 207226050 /nfs/dbraw/zinc/22/60/50/207226050.db2.gz HZBZBMTYFPABMW-FQEVSTJZSA-N 2 2 385.552 2.694 50 0 GFAALP C[C@@H](Cn1cc[nH+]c1)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072475712 208030855 /nfs/dbraw/zinc/03/08/55/208030855.db2.gz VVDKSXQFKXJCTG-SFHVURJKSA-N 2 2 384.480 2.637 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091435223 208116267 /nfs/dbraw/zinc/11/62/67/208116267.db2.gz FQFPKBKIJNEJPN-QFIPXVFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091435223 208116270 /nfs/dbraw/zinc/11/62/70/208116270.db2.gz FQFPKBKIJNEJPN-QFIPXVFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091435223 208116277 /nfs/dbraw/zinc/11/62/77/208116277.db2.gz FQFPKBKIJNEJPN-QFIPXVFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091435223 208116283 /nfs/dbraw/zinc/11/62/83/208116283.db2.gz FQFPKBKIJNEJPN-QFIPXVFZSA-N 2 2 396.491 2.586 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000095511339 208213508 /nfs/dbraw/zinc/21/35/08/208213508.db2.gz HBYVTJDXOIBUMT-HNNXBMFYSA-N 2 2 386.525 2.564 50 0 GFAALP CN(C)c1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095530902 208229455 /nfs/dbraw/zinc/22/94/55/208229455.db2.gz UDGDXVXIBIQJQJ-SFHVURJKSA-N 2 2 383.540 2.921 50 0 GFAALP CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccccc3-c3[nH]cc[nH+]3)cc2C1 ZINC000299801488 209092265 /nfs/dbraw/zinc/09/22/65/209092265.db2.gz ZJAHUVOOKGAQKJ-UHFFFAOYSA-N 2 2 378.480 2.819 50 0 GFAALP CCCC[N@H+]1CCn2nc(CNC(=O)c3ccccc3-c3[nH]cc[nH+]3)cc2C1 ZINC000299801488 209092270 /nfs/dbraw/zinc/09/22/70/209092270.db2.gz ZJAHUVOOKGAQKJ-UHFFFAOYSA-N 2 2 378.480 2.819 50 0 GFAALP Cc1nonc1C[NH2+]Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O ZINC000299785750 209088928 /nfs/dbraw/zinc/08/89/28/209088928.db2.gz NTEHZYSBYBAESS-UHFFFAOYSA-N 2 2 399.470 2.608 50 0 GFAALP Cc1noc(-c2ccc(N3CCC[C@@H](c4[nH+]ccn4CC[NH+](C)C)C3)nc2)n1 ZINC000095512638 136180676 /nfs/dbraw/zinc/18/06/76/136180676.db2.gz PNLSTKZGDCOMQR-QGZVFWFLSA-N 2 2 381.484 2.582 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@H](C)c3ncnn3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096153773 136184660 /nfs/dbraw/zinc/18/46/60/136184660.db2.gz ZDMSSUYNJGJSNR-MRXNPFEDSA-N 2 2 377.496 2.900 50 0 GFAALP Cc1cc(N2CCC([NH2+]CCc3ccnn3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096180365 136184940 /nfs/dbraw/zinc/18/49/40/136184940.db2.gz KYGNWXKQFVQUOP-UHFFFAOYSA-N 2 2 376.508 2.987 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562335 570782073 /nfs/dbraw/zinc/78/20/73/570782073.db2.gz MIUBQDRLUSYFQE-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562335 570782075 /nfs/dbraw/zinc/78/20/75/570782075.db2.gz MIUBQDRLUSYFQE-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COc1ccc2[nH]c(CCN(C)c3nc(CC[NH3+])nc4ccccc43)[nH+]c2c1 ZINC000067725894 570788555 /nfs/dbraw/zinc/78/85/55/570788555.db2.gz BXWNTJHFFFNMJH-UHFFFAOYSA-N 2 2 376.464 2.695 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071711972 570843328 /nfs/dbraw/zinc/84/33/28/570843328.db2.gz LEJBYDGIGJKMMI-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071711972 570843331 /nfs/dbraw/zinc/84/33/31/570843331.db2.gz LEJBYDGIGJKMMI-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP COC[C@H](C)[NH+]1CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084640354 571028630 /nfs/dbraw/zinc/02/86/30/571028630.db2.gz RJVOQGMGTOYNBQ-GUYCJALGSA-N 2 2 388.339 2.775 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000019228557 207110123 /nfs/dbraw/zinc/11/01/23/207110123.db2.gz NEJYZWOJSPXBTE-NRFANRHFSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000019228557 207110126 /nfs/dbraw/zinc/11/01/26/207110126.db2.gz NEJYZWOJSPXBTE-NRFANRHFSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000019228557 207110132 /nfs/dbraw/zinc/11/01/32/207110132.db2.gz NEJYZWOJSPXBTE-NRFANRHFSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000019228557 207110136 /nfs/dbraw/zinc/11/01/36/207110136.db2.gz NEJYZWOJSPXBTE-NRFANRHFSA-N 2 2 381.511 2.706 50 0 GFAALP COc1ccc2occ([C@H]3NC(=[NH2+])NC(Nc4ccc(F)cc4)=[NH+]3)c(=O)c2c1 ZINC000019330031 207115218 /nfs/dbraw/zinc/11/52/18/207115218.db2.gz GDMFXCWMPNLMSD-KRWDZBQOSA-N 2 2 381.367 2.535 50 0 GFAALP OCCN1CC[NH+](CCn2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)CC1 ZINC000019771488 207160700 /nfs/dbraw/zinc/16/07/00/207160700.db2.gz DJDIYZSFQJPEBZ-UHFFFAOYSA-N 2 2 389.503 2.566 50 0 GFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020102203 207177607 /nfs/dbraw/zinc/17/76/07/207177607.db2.gz HRENEARRCJVIRH-GOSISDBHSA-N 2 2 395.536 2.593 50 0 GFAALP COc1cc(CN2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374956 207276741 /nfs/dbraw/zinc/27/67/41/207276741.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 2 2 379.545 2.560 50 0 GFAALP COc1cc(CN2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374956 207276743 /nfs/dbraw/zinc/27/67/43/207276743.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 2 2 379.545 2.560 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2c[nH]c3ccccc23)[nH+]c(C)n1 ZINC000038670589 207314649 /nfs/dbraw/zinc/31/46/49/207314649.db2.gz WPUKBYHXWMWLHG-UHFFFAOYSA-N 2 2 389.463 2.531 50 0 GFAALP C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091665820 208133052 /nfs/dbraw/zinc/13/30/52/208133052.db2.gz FLNKAGZAHLHYJU-SFHVURJKSA-N 2 2 381.524 2.764 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000095379266 208173597 /nfs/dbraw/zinc/17/35/97/208173597.db2.gz UYUQKNDJNIHSHD-UHFFFAOYSA-N 2 2 375.904 2.903 50 0 GFAALP COc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1O ZINC000095391467 208179409 /nfs/dbraw/zinc/17/94/09/208179409.db2.gz LAWVMWJBIRRLBO-MRXNPFEDSA-N 2 2 386.496 2.569 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000095520198 208221310 /nfs/dbraw/zinc/22/13/10/208221310.db2.gz YWEFIXRXEUQUAE-MRXNPFEDSA-N 2 2 380.496 2.731 50 0 GFAALP Cc1cc(C)c2[nH+]ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](CCO)C3)c2c1 ZINC000072463276 136171095 /nfs/dbraw/zinc/17/10/95/136171095.db2.gz MAHUNNGYNADBDL-HXUWFJFHSA-N 3 2 382.552 2.819 50 0 GFAALP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](CCO)C3)c2c1 ZINC000072463276 136171096 /nfs/dbraw/zinc/17/10/96/136171096.db2.gz MAHUNNGYNADBDL-HXUWFJFHSA-N 3 2 382.552 2.819 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000095496965 136179605 /nfs/dbraw/zinc/17/96/05/136179605.db2.gz ZZHUPXLDFDYBEK-GOSISDBHSA-N 3 2 383.544 2.609 50 0 GFAALP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1 ZINC000095967265 136182895 /nfs/dbraw/zinc/18/28/95/136182895.db2.gz JHHKOJYBRSXKRO-GOSISDBHSA-N 2 2 376.508 2.888 50 0 GFAALP Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662818 570577362 /nfs/dbraw/zinc/57/73/62/570577362.db2.gz NKPILMTXRZKDRK-OAHLLOKOSA-N 2 2 387.553 2.735 50 0 GFAALP Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662818 570577364 /nfs/dbraw/zinc/57/73/64/570577364.db2.gz NKPILMTXRZKDRK-OAHLLOKOSA-N 2 2 387.553 2.735 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC000039532665 570593235 /nfs/dbraw/zinc/59/32/35/570593235.db2.gz KDCHDWSONZXDML-OAQYLSRUSA-N 2 2 386.471 2.546 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC000039532665 570593237 /nfs/dbraw/zinc/59/32/37/570593237.db2.gz KDCHDWSONZXDML-OAQYLSRUSA-N 2 2 386.471 2.546 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000012056294 570602647 /nfs/dbraw/zinc/60/26/47/570602647.db2.gz ARUWSUZODCQKTN-KRWDZBQOSA-N 2 2 377.554 2.717 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000012056294 570602648 /nfs/dbraw/zinc/60/26/48/570602648.db2.gz ARUWSUZODCQKTN-KRWDZBQOSA-N 2 2 377.554 2.717 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1C ZINC000040720576 570605487 /nfs/dbraw/zinc/60/54/87/570605487.db2.gz OQFOTJAKRJJXGE-UHFFFAOYSA-N 2 2 378.900 2.908 50 0 GFAALP O=C(Nc1cnns1)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065452415 570768972 /nfs/dbraw/zinc/76/89/72/570768972.db2.gz YXUFAOOWBPUQGS-MRXNPFEDSA-N 2 2 382.493 2.899 50 0 GFAALP O=C(Nc1cnns1)c1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065452415 570768976 /nfs/dbraw/zinc/76/89/76/570768976.db2.gz YXUFAOOWBPUQGS-MRXNPFEDSA-N 2 2 382.493 2.899 50 0 GFAALP Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc(C(C)C)[nH+]1 ZINC000071750126 570846903 /nfs/dbraw/zinc/84/69/03/570846903.db2.gz IBUWBXUWCQQWLI-KRWDZBQOSA-N 2 2 385.556 2.868 50 0 GFAALP Cc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc(C(C)C)[nH+]1 ZINC000071750126 570846906 /nfs/dbraw/zinc/84/69/06/570846906.db2.gz IBUWBXUWCQQWLI-KRWDZBQOSA-N 2 2 385.556 2.868 50 0 GFAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)COc1ccccc1 ZINC000000847463 206327248 /nfs/dbraw/zinc/32/72/48/206327248.db2.gz YZVGXJBXRGLPRH-IBGZPJMESA-N 2 2 394.519 2.848 50 0 GFAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913169 207263920 /nfs/dbraw/zinc/26/39/20/207263920.db2.gz ZNMJCYUGJJLKHP-NRFANRHFSA-N 2 2 386.584 2.766 50 0 GFAALP CC[NH+]1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913169 207263924 /nfs/dbraw/zinc/26/39/24/207263924.db2.gz ZNMJCYUGJJLKHP-NRFANRHFSA-N 2 2 386.584 2.766 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cs1 ZINC000095368903 208166622 /nfs/dbraw/zinc/16/66/22/208166622.db2.gz HESBWIDBFGOUGM-INIZCTEOSA-N 2 2 384.509 2.704 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cs1 ZINC000095368903 208166624 /nfs/dbraw/zinc/16/66/24/208166624.db2.gz HESBWIDBFGOUGM-INIZCTEOSA-N 2 2 384.509 2.704 50 0 GFAALP Cc1cc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)nc(-c2ccccc2O)n1 ZINC000095520292 136181262 /nfs/dbraw/zinc/18/12/62/136181262.db2.gz RVTNPRGFKIPOIH-UHFFFAOYSA-N 2 2 378.480 2.613 50 0 GFAALP CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC000299772504 209086343 /nfs/dbraw/zinc/08/63/43/209086343.db2.gz AEVFTEHXVPDBTL-UHFFFAOYSA-N 2 2 378.480 2.615 50 0 GFAALP CCCC[N@H+]1CCn2nc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC000299772504 209086344 /nfs/dbraw/zinc/08/63/44/209086344.db2.gz AEVFTEHXVPDBTL-UHFFFAOYSA-N 2 2 378.480 2.615 50 0 GFAALP CC[C@H](CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)[NH+](C)C ZINC000426505969 529360049 /nfs/dbraw/zinc/36/00/49/529360049.db2.gz XRMKGMDQJVXTTP-OAHLLOKOSA-N 2 2 390.553 2.981 50 0 GFAALP CC[C@H](CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)[NH+](C)C ZINC000426505969 529360050 /nfs/dbraw/zinc/36/00/50/529360050.db2.gz XRMKGMDQJVXTTP-OAHLLOKOSA-N 2 2 390.553 2.981 50 0 GFAALP O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071765575 570851517 /nfs/dbraw/zinc/85/15/17/570851517.db2.gz HMENXBWBCFVHCZ-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071765575 570851520 /nfs/dbraw/zinc/85/15/20/570851520.db2.gz HMENXBWBCFVHCZ-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(C)c(F)c3)[nH+]cn2)c1C ZINC000072116016 570866586 /nfs/dbraw/zinc/86/65/86/570866586.db2.gz PGLOULJFETXROJ-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)c2ccc(OC)cc2)([NH+](C)C)CC1 ZINC000534576241 570901237 /nfs/dbraw/zinc/90/12/37/570901237.db2.gz UWUKNJRGAXMELT-QGZVFWFLSA-N 2 2 376.545 2.814 50 0 GFAALP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(CO)o2)CCO3)C[C@H](C)O1 ZINC000299770554 212035978 /nfs/dbraw/zinc/03/59/78/212035978.db2.gz SAOKFXFGOPXCIE-CALCHBBNSA-N 2 2 386.492 2.776 50 0 GFAALP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(CO)o2)CCO3)C[C@H](C)O1 ZINC000299770554 212035979 /nfs/dbraw/zinc/03/59/79/212035979.db2.gz SAOKFXFGOPXCIE-CALCHBBNSA-N 2 2 386.492 2.776 50 0 GFAALP C[C@@H]1C[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccc(CO)o2)CCO3)C[C@H](C)O1 ZINC000299770554 212035980 /nfs/dbraw/zinc/03/59/80/212035980.db2.gz SAOKFXFGOPXCIE-CALCHBBNSA-N 2 2 386.492 2.776 50 0 GFAALP C[C@@H]1C[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccc(CO)o2)CCO3)C[C@H](C)O1 ZINC000299770554 212035981 /nfs/dbraw/zinc/03/59/81/212035981.db2.gz SAOKFXFGOPXCIE-CALCHBBNSA-N 2 2 386.492 2.776 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000096163748 211314544 /nfs/dbraw/zinc/31/45/44/211314544.db2.gz UFKIUFDFQJOAED-UHFFFAOYSA-N 2 2 385.560 2.811 50 0 GFAALP O=C(CCC[NH+]1CCCC1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095497251 211250843 /nfs/dbraw/zinc/25/08/43/211250843.db2.gz VFRRGCXFKJYNCH-UHFFFAOYSA-N 2 2 381.524 2.908 50 0 GFAALP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095358878 211222977 /nfs/dbraw/zinc/22/29/77/211222977.db2.gz AHUACIWHRISORN-NRFANRHFSA-N 2 2 379.504 2.817 50 0 GFAALP CN(C)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cc1 ZINC000095366146 211225654 /nfs/dbraw/zinc/22/56/54/211225654.db2.gz IPVUSGQUHVULHV-UHFFFAOYSA-N 2 2 383.540 2.921 50 0 GFAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000092098235 211216749 /nfs/dbraw/zinc/21/67/49/211216749.db2.gz WTJNPRGURYCFOF-QZTJIDSGSA-N 2 2 388.483 2.848 50 0 GFAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000092098235 211216754 /nfs/dbraw/zinc/21/67/54/211216754.db2.gz WTJNPRGURYCFOF-QZTJIDSGSA-N 2 2 388.483 2.848 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(F)c3)[nH+]c(C)n2)c1C ZINC000072117771 211069438 /nfs/dbraw/zinc/06/94/38/211069438.db2.gz LCKQURSVVCZNKK-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP OC1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4c3cccc4C(F)(F)F)C[C@H]2O)CC1 ZINC000071755045 211058458 /nfs/dbraw/zinc/05/84/58/211058458.db2.gz LROMJZDCTPIBKF-QZTJIDSGSA-N 2 2 395.425 2.650 50 0 GFAALP Cc1csc2nc(C[N@@H+]3CCCN(c4[nH]c5ccccc5[nH+]4)CC3)cc(=O)n12 ZINC000068453527 211033889 /nfs/dbraw/zinc/03/38/89/211033889.db2.gz WBOANFLFQVWHNB-UHFFFAOYSA-N 2 2 394.504 2.653 50 0 GFAALP Cc1csc2nc(C[N@H+]3CCCN(c4[nH]c5ccccc5[nH+]4)CC3)cc(=O)n12 ZINC000068453527 211033892 /nfs/dbraw/zinc/03/38/92/211033892.db2.gz WBOANFLFQVWHNB-UHFFFAOYSA-N 2 2 394.504 2.653 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC000067840637 211025205 /nfs/dbraw/zinc/02/52/05/211025205.db2.gz RLLFOSFNPIDWSM-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC000067840637 211025206 /nfs/dbraw/zinc/02/52/06/211025206.db2.gz RLLFOSFNPIDWSM-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP O=S(=O)(c1ccccc1)n1cccc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067649944 211014556 /nfs/dbraw/zinc/01/45/56/211014556.db2.gz WZBJQGDDRRGNMT-SFHVURJKSA-N 2 2 384.505 2.834 50 0 GFAALP O=S(=O)(c1ccccc1)n1cccc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067649944 211014558 /nfs/dbraw/zinc/01/45/58/211014558.db2.gz WZBJQGDDRRGNMT-SFHVURJKSA-N 2 2 384.505 2.834 50 0 GFAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000020994817 210372446 /nfs/dbraw/zinc/37/24/46/210372446.db2.gz IIJYGADKSYLKJS-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000020994817 210372451 /nfs/dbraw/zinc/37/24/51/210372451.db2.gz IIJYGADKSYLKJS-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000095365511 136178222 /nfs/dbraw/zinc/17/82/22/136178222.db2.gz NHRGVJIUUTWBOF-IBGZPJMESA-N 3 2 377.496 2.564 50 0 GFAALP CCc1c[nH+]c(C)nc1N1CCC(c2nnc(Cn3cc[nH+]c3)n2CC)CC1 ZINC000096148630 136184519 /nfs/dbraw/zinc/18/45/19/136184519.db2.gz DSLHYOVRQZNPLZ-UHFFFAOYSA-N 2 2 380.500 2.588 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)C[NH+](C)C)csc2C1 ZINC000426489657 534363597 /nfs/dbraw/zinc/36/35/97/534363597.db2.gz PABKTEHQPOCSPZ-LBPRGKRZSA-N 2 2 376.526 2.591 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)C[NH+](C)C)csc2C1 ZINC000426489657 534363601 /nfs/dbraw/zinc/36/36/01/534363601.db2.gz PABKTEHQPOCSPZ-LBPRGKRZSA-N 2 2 376.526 2.591 50 0 GFAALP CO[C@H](C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1)c1ccc(Cl)cc1 ZINC000225770790 570615331 /nfs/dbraw/zinc/61/53/31/570615331.db2.gz UIKCVGCDPCZBEE-QGZVFWFLSA-N 2 2 375.904 2.706 50 0 GFAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432378 570660332 /nfs/dbraw/zinc/66/03/32/570660332.db2.gz WYFWVDHCNSSSHE-SFHVURJKSA-N 3 2 378.605 2.608 50 0 GFAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432378 570660336 /nfs/dbraw/zinc/66/03/36/570660336.db2.gz WYFWVDHCNSSSHE-SFHVURJKSA-N 3 2 378.605 2.608 50 0 GFAALP Oc1cccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)c1 ZINC000096136027 211305536 /nfs/dbraw/zinc/30/55/36/211305536.db2.gz FJKYWANYKZECQR-UHFFFAOYSA-N 2 2 378.480 2.943 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095518832 211265574 /nfs/dbraw/zinc/26/55/74/211265574.db2.gz AHGSXFQHPGASTN-UHFFFAOYSA-N 2 2 378.480 2.628 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095371226 211228201 /nfs/dbraw/zinc/22/82/01/211228201.db2.gz DRTNNGDYPXMQII-UHFFFAOYSA-N 2 2 384.480 2.583 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3F)[nH+]cn2)c1C ZINC000072115799 211070264 /nfs/dbraw/zinc/07/02/64/211070264.db2.gz RGMNXTCJYMWPSU-UHFFFAOYSA-N 2 2 387.394 2.791 50 0 GFAALP O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071776832 211061636 /nfs/dbraw/zinc/06/16/36/211061636.db2.gz OUULMRKIDNZXMR-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071776832 211061639 /nfs/dbraw/zinc/06/16/39/211061639.db2.gz OUULMRKIDNZXMR-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP O[C@H]1[C@H]([N@@H+]2CCCOCC2)c2ccccc2C12CCN(c1cccc[nH+]1)CC2 ZINC000020782777 210361262 /nfs/dbraw/zinc/36/12/62/210361262.db2.gz FDYBKGAGMIPZNY-YADHBBJMSA-N 2 2 379.504 2.758 50 0 GFAALP O[C@H]1[C@H]([N@H+]2CCCOCC2)c2ccccc2C12CCN(c1cccc[nH+]1)CC2 ZINC000020782777 210361267 /nfs/dbraw/zinc/36/12/67/210361267.db2.gz FDYBKGAGMIPZNY-YADHBBJMSA-N 2 2 379.504 2.758 50 0 GFAALP CSCCC[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323297 210330061 /nfs/dbraw/zinc/33/00/61/210330061.db2.gz NFGRMVWNQIAAHY-IBGZPJMESA-N 2 2 391.581 2.750 50 0 GFAALP CSCCC[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323297 210330064 /nfs/dbraw/zinc/33/00/64/210330064.db2.gz NFGRMVWNQIAAHY-IBGZPJMESA-N 2 2 391.581 2.750 50 0 GFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000011820675 221129411 /nfs/dbraw/zinc/12/94/11/221129411.db2.gz IJXNXNFNNGRLQF-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000011820675 221129414 /nfs/dbraw/zinc/12/94/14/221129414.db2.gz IJXNXNFNNGRLQF-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP CCCCSc1nc(N2CCC([NH+]3CCN(CC)CC3)CC2)cc(N)[nH+]1 ZINC000095374186 136178437 /nfs/dbraw/zinc/17/84/37/136178437.db2.gz VUANSIZXIUXXGD-UHFFFAOYSA-N 2 2 378.590 2.557 50 0 GFAALP CSc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cc(N)[nH+]1 ZINC000095531070 136181823 /nfs/dbraw/zinc/18/18/23/136181823.db2.gz MDMGQWCVELYCQS-AWEZNQCLSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)[nH+]1 ZINC000095531070 136181824 /nfs/dbraw/zinc/18/18/24/136181824.db2.gz MDMGQWCVELYCQS-AWEZNQCLSA-N 2 2 381.509 2.805 50 0 GFAALP CS[C@H](C)Cc1c(-c2ccccc2)[nH+]cn1CCC[NH+](CCO)CCO ZINC000065422561 222130536 /nfs/dbraw/zinc/13/05/36/222130536.db2.gz MFDXOGLTGJRUOG-QGZVFWFLSA-N 2 2 377.554 2.521 50 0 GFAALP OCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751687 566087208 /nfs/dbraw/zinc/08/72/08/566087208.db2.gz QEIQGZXHIWFRRT-QAPCUYQASA-N 2 2 383.330 2.716 50 0 GFAALP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000028875414 570466035 /nfs/dbraw/zinc/46/60/35/570466035.db2.gz QAHOKDIDAUHBSY-IRXDYDNUSA-N 2 2 378.476 2.874 50 0 GFAALP CCc1[nH+]c(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1cccc(F)c1 ZINC000036316578 570563551 /nfs/dbraw/zinc/56/35/51/570563551.db2.gz YHZOTHCUUYISDA-UHFFFAOYSA-N 2 2 386.515 2.970 50 0 GFAALP COCc1nc(NCCCc2[nH]c3ccc(F)cc3[nH+]2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243902032 570692206 /nfs/dbraw/zinc/69/22/06/570692206.db2.gz BFFZPQSATCXXDT-XBXGTLAGSA-N 2 2 384.459 2.888 50 0 GFAALP Cn1nnnc1SCCn1c[nH+]c(-c2ccccc2)c1C1CC[NH+](C)CC1 ZINC000065381309 570763086 /nfs/dbraw/zinc/76/30/86/570763086.db2.gz LCUMEGWRIXMQJU-UHFFFAOYSA-N 2 2 383.525 2.675 50 0 GFAALP Cn1cc[nH+]c1-c1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000426590052 231243579 /nfs/dbraw/zinc/24/35/79/231243579.db2.gz XHVZPEBXIRKYKT-UHFFFAOYSA-N 2 2 375.476 2.877 50 0 GFAALP COc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1O ZINC000095391468 211236565 /nfs/dbraw/zinc/23/65/65/211236565.db2.gz LAWVMWJBIRRLBO-INIZCTEOSA-N 2 2 386.496 2.569 50 0 GFAALP CC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095361471 211222893 /nfs/dbraw/zinc/22/28/93/211222893.db2.gz YCXYWIBXKZMUOQ-LJQANCHMSA-N 2 2 378.480 2.642 50 0 GFAALP CC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095361471 211222897 /nfs/dbraw/zinc/22/28/97/211222897.db2.gz YCXYWIBXKZMUOQ-LJQANCHMSA-N 2 2 378.480 2.642 50 0 GFAALP CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095377378 211229018 /nfs/dbraw/zinc/22/90/18/211229018.db2.gz FZLUSMXBGULTIF-JOCHJYFZSA-N 3 2 389.588 2.663 50 0 GFAALP CC[N@H+]1CCC[C@@](C)(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095377378 211229021 /nfs/dbraw/zinc/22/90/21/211229021.db2.gz FZLUSMXBGULTIF-JOCHJYFZSA-N 3 2 389.588 2.663 50 0 GFAALP COc1cccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)c1 ZINC000091390903 211190674 /nfs/dbraw/zinc/19/06/74/211190674.db2.gz DRSAFBKTVLSQMF-UHFFFAOYSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c1 ZINC000091390903 211190679 /nfs/dbraw/zinc/19/06/79/211190679.db2.gz DRSAFBKTVLSQMF-UHFFFAOYSA-N 2 2 382.508 2.866 50 0 GFAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)c(C)[nH+]1 ZINC000071775865 211062619 /nfs/dbraw/zinc/06/26/19/211062619.db2.gz BKYUADFSJHKXLD-HOTGVXAUSA-N 2 2 394.523 2.769 50 0 GFAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)c(C)[nH+]1 ZINC000071775865 211062609 /nfs/dbraw/zinc/06/26/09/211062609.db2.gz BKYUADFSJHKXLD-HOTGVXAUSA-N 2 2 394.523 2.769 50 0 GFAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)c(C)[nH+]1 ZINC000071775865 211062612 /nfs/dbraw/zinc/06/26/12/211062612.db2.gz BKYUADFSJHKXLD-HOTGVXAUSA-N 2 2 394.523 2.769 50 0 GFAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)c(C)[nH+]1 ZINC000071775865 211062617 /nfs/dbraw/zinc/06/26/17/211062617.db2.gz BKYUADFSJHKXLD-HOTGVXAUSA-N 2 2 394.523 2.769 50 0 GFAALP Cc1cccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)nc21 ZINC000071753014 211055447 /nfs/dbraw/zinc/05/54/47/211055447.db2.gz FJMGNPBNYJHIGU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1cccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)nc21 ZINC000071753014 211055449 /nfs/dbraw/zinc/05/54/49/211055449.db2.gz FJMGNPBNYJHIGU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1cccc2nc(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]c21 ZINC000071753014 211055453 /nfs/dbraw/zinc/05/54/53/211055453.db2.gz FJMGNPBNYJHIGU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1cccc2nc(CN(C)C(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c21 ZINC000071753014 211055456 /nfs/dbraw/zinc/05/54/56/211055456.db2.gz FJMGNPBNYJHIGU-KRWDZBQOSA-N 2 2 383.540 2.636 50 0 GFAALP CC(=O)c1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019636192 210276655 /nfs/dbraw/zinc/27/66/55/210276655.db2.gz UIGARGGLIGTSFC-QHCPKHFHSA-N 2 2 387.568 2.631 50 0 GFAALP CC(=O)c1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019636192 210276651 /nfs/dbraw/zinc/27/66/51/210276651.db2.gz UIGARGGLIGTSFC-QHCPKHFHSA-N 2 2 387.568 2.631 50 0 GFAALP Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)[nH+]1 ZINC000091416591 136176334 /nfs/dbraw/zinc/17/63/34/136176334.db2.gz XOTCTEYICPAYRZ-QFIPXVFZSA-N 2 2 379.508 2.585 50 0 GFAALP Cc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)[nH+]1 ZINC000091416591 136176335 /nfs/dbraw/zinc/17/63/35/136176335.db2.gz XOTCTEYICPAYRZ-QFIPXVFZSA-N 2 2 379.508 2.585 50 0 GFAALP O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1C[NH+]1CCCCC1 ZINC000101410600 136189667 /nfs/dbraw/zinc/18/96/67/136189667.db2.gz KMDFNRLLHOFYRR-UHFFFAOYSA-N 2 2 383.492 2.654 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)CC1 ZINC000104355138 570257206 /nfs/dbraw/zinc/25/72/06/570257206.db2.gz SJPKLAUFTLLOCJ-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)CC1 ZINC000104355138 570257211 /nfs/dbraw/zinc/25/72/11/570257211.db2.gz SJPKLAUFTLLOCJ-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc(F)ccc3F)C[C@H]2CCO)CC1 ZINC000104355138 570257213 /nfs/dbraw/zinc/25/72/13/570257213.db2.gz SJPKLAUFTLLOCJ-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cc(F)ccc3F)C[C@H]2CCO)CC1 ZINC000104355138 570257218 /nfs/dbraw/zinc/25/72/18/570257218.db2.gz SJPKLAUFTLLOCJ-HXUWFJFHSA-N 2 2 381.511 2.706 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104449514 570258409 /nfs/dbraw/zinc/25/84/09/570258409.db2.gz CUHJTEVIGVYYIS-HXUWFJFHSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104449514 570258410 /nfs/dbraw/zinc/25/84/10/570258410.db2.gz CUHJTEVIGVYYIS-HXUWFJFHSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104449514 570258412 /nfs/dbraw/zinc/25/84/12/570258412.db2.gz CUHJTEVIGVYYIS-HXUWFJFHSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104449514 570258413 /nfs/dbraw/zinc/25/84/13/570258413.db2.gz CUHJTEVIGVYYIS-HXUWFJFHSA-N 2 2 393.547 2.576 50 0 GFAALP O=C(Cn1cc[nH+]c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010809791 570301118 /nfs/dbraw/zinc/30/11/18/570301118.db2.gz YGQLJXYFYQCOIM-UHFFFAOYSA-N 2 2 375.476 2.844 50 0 GFAALP COc1ccc(C)cc1NC(=O)NCCNc1cc(-n2cc[nH+]c2C)nc(C)[nH+]1 ZINC000035598118 570400635 /nfs/dbraw/zinc/40/06/35/570400635.db2.gz GOGPQHKPHCUMNN-UHFFFAOYSA-N 2 2 395.467 2.830 50 0 GFAALP OCCNc1[nH+]c2ccccc2n1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000006508641 570460985 /nfs/dbraw/zinc/46/09/85/570460985.db2.gz ZIQGYNGXVMNUDE-UHFFFAOYSA-N 2 2 385.899 2.874 50 0 GFAALP Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)[nH+]1 ZINC000230177570 570668455 /nfs/dbraw/zinc/66/84/55/570668455.db2.gz XOTCTEYICPAYRZ-JOCHJYFZSA-N 2 2 379.508 2.585 50 0 GFAALP Cc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)[nH+]1 ZINC000230177570 570668460 /nfs/dbraw/zinc/66/84/60/570668460.db2.gz XOTCTEYICPAYRZ-JOCHJYFZSA-N 2 2 379.508 2.585 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000012705166 570700022 /nfs/dbraw/zinc/70/00/22/570700022.db2.gz FWRMJBKTZHERCZ-DNQXCXABSA-N 2 2 396.531 2.658 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000012705166 570700026 /nfs/dbraw/zinc/70/00/26/570700026.db2.gz FWRMJBKTZHERCZ-DNQXCXABSA-N 2 2 396.531 2.658 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000096141609 211308496 /nfs/dbraw/zinc/30/84/96/211308496.db2.gz JQVLJKRGKAPHCT-UHFFFAOYSA-N 2 2 383.496 2.519 50 0 GFAALP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000096141383 211308534 /nfs/dbraw/zinc/30/85/34/211308534.db2.gz SWMKKMVMMXBDMO-NRFANRHFSA-N 2 2 380.492 2.697 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095520620 211267523 /nfs/dbraw/zinc/26/75/23/211267523.db2.gz NDLVPNFDNAOJAW-UHFFFAOYSA-N 2 2 384.509 2.689 50 0 GFAALP COc1cc(C[NH+]2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521518 211267381 /nfs/dbraw/zinc/26/73/81/211267381.db2.gz KGOIUADLXFACFX-HXUWFJFHSA-N 2 2 392.540 2.532 50 0 GFAALP COc1cc(C[NH+]2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095521518 211267387 /nfs/dbraw/zinc/26/73/87/211267387.db2.gz KGOIUADLXFACFX-HXUWFJFHSA-N 2 2 392.540 2.532 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000095503084 211256241 /nfs/dbraw/zinc/25/62/41/211256241.db2.gz MIAXXYUITRPXRN-KRWDZBQOSA-N 3 2 387.528 2.509 50 0 GFAALP CN(C)c1ccccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095388838 211236317 /nfs/dbraw/zinc/23/63/17/211236317.db2.gz YQNVWCGZLMQOHN-UHFFFAOYSA-N 2 2 383.540 2.921 50 0 GFAALP CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc1 ZINC000091518724 211194847 /nfs/dbraw/zinc/19/48/47/211194847.db2.gz PLKZVQYZLQJKMV-QFIPXVFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc1 ZINC000091518724 211194851 /nfs/dbraw/zinc/19/48/51/211194851.db2.gz PLKZVQYZLQJKMV-QFIPXVFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)nc1 ZINC000091518724 211194855 /nfs/dbraw/zinc/19/48/55/211194855.db2.gz PLKZVQYZLQJKMV-QFIPXVFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)nc1 ZINC000091518724 211194859 /nfs/dbraw/zinc/19/48/59/211194859.db2.gz PLKZVQYZLQJKMV-QFIPXVFZSA-N 2 2 381.524 2.814 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccccc3F)[nH+]c(C)n2)c1C ZINC000072119328 211069751 /nfs/dbraw/zinc/06/97/51/211069751.db2.gz JLRPSENGGIHQTF-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759578 211058106 /nfs/dbraw/zinc/05/81/06/211058106.db2.gz YIWWMSBSLPSDMD-HXUWFJFHSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759578 211058109 /nfs/dbraw/zinc/05/81/09/211058109.db2.gz YIWWMSBSLPSDMD-HXUWFJFHSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071759578 211058113 /nfs/dbraw/zinc/05/81/13/211058113.db2.gz YIWWMSBSLPSDMD-HXUWFJFHSA-N 2 2 395.551 2.711 50 0 GFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071759578 211058116 /nfs/dbraw/zinc/05/81/16/211058116.db2.gz YIWWMSBSLPSDMD-HXUWFJFHSA-N 2 2 395.551 2.711 50 0 GFAALP O=C(NCc1ccoc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071738808 211054214 /nfs/dbraw/zinc/05/42/14/211054214.db2.gz WTWNMHOPYUPIFA-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccoc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071738808 211054219 /nfs/dbraw/zinc/05/42/19/211054219.db2.gz WTWNMHOPYUPIFA-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP CCCc1cc(N2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)nc(C)[nH+]1 ZINC000095523927 136181379 /nfs/dbraw/zinc/18/13/79/136181379.db2.gz SZTLKHPZZIBRTM-UHFFFAOYSA-N 2 2 380.540 2.924 50 0 GFAALP Cc1cc(N2CCC([NH2+]CCCn3ccnn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096180557 136184947 /nfs/dbraw/zinc/18/49/47/136184947.db2.gz FIVIGPRGWPQLPR-UHFFFAOYSA-N 2 2 377.496 2.692 50 0 GFAALP CN1CC2(CC[NH+](Cc3ccc(OCCCn4cc[nH+]c4)cc3)CC2)OC1=O ZINC000216236039 570297708 /nfs/dbraw/zinc/29/77/08/570297708.db2.gz IEKAAQGBLSGJDE-UHFFFAOYSA-N 2 2 384.480 2.769 50 0 GFAALP COc1cccc(C[N@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023058464 570342448 /nfs/dbraw/zinc/34/24/48/570342448.db2.gz BCLIZCCPHQYCHP-LJQANCHMSA-N 2 2 381.520 2.860 50 0 GFAALP COc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023058464 570342450 /nfs/dbraw/zinc/34/24/50/570342450.db2.gz BCLIZCCPHQYCHP-LJQANCHMSA-N 2 2 381.520 2.860 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]c(C)n1 ZINC000035598188 570400964 /nfs/dbraw/zinc/40/09/64/570400964.db2.gz YQSKJZXASZCSTJ-UHFFFAOYSA-N 2 2 387.394 2.791 50 0 GFAALP CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1C1CC[NH+](C)CC1 ZINC000012135697 570614080 /nfs/dbraw/zinc/61/40/80/570614080.db2.gz LPJQGHZQTHNDDW-MOPGFXCFSA-N 2 2 379.545 2.980 50 0 GFAALP CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1C1CC[NH+](C)CC1 ZINC000012135697 570614083 /nfs/dbraw/zinc/61/40/83/570614083.db2.gz LPJQGHZQTHNDDW-MOPGFXCFSA-N 2 2 379.545 2.980 50 0 GFAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101408761 570822022 /nfs/dbraw/zinc/82/20/22/570822022.db2.gz DGQQBHFIDFLRLZ-KRWDZBQOSA-N 2 2 386.517 2.884 50 0 GFAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101408761 570822030 /nfs/dbraw/zinc/82/20/30/570822030.db2.gz DGQQBHFIDFLRLZ-KRWDZBQOSA-N 2 2 386.517 2.884 50 0 GFAALP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084640353 571028565 /nfs/dbraw/zinc/02/85/65/571028565.db2.gz RJVOQGMGTOYNBQ-CXAGYDPISA-N 2 2 388.339 2.775 50 0 GFAALP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000426495556 231230267 /nfs/dbraw/zinc/23/02/67/231230267.db2.gz CMCFJWUUGIEBCE-NRFANRHFSA-N 2 2 381.524 2.969 50 0 GFAALP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000426495556 231230271 /nfs/dbraw/zinc/23/02/71/231230271.db2.gz CMCFJWUUGIEBCE-NRFANRHFSA-N 2 2 381.524 2.969 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000019227198 210234010 /nfs/dbraw/zinc/23/40/10/210234010.db2.gz CBVHPVIBZVPSHG-KRWDZBQOSA-N 2 2 399.501 2.845 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000019227198 210234015 /nfs/dbraw/zinc/23/40/15/210234015.db2.gz CBVHPVIBZVPSHG-KRWDZBQOSA-N 2 2 399.501 2.845 50 0 GFAALP C[N@@H+]1CCCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC12CC[NH2+]CC2 ZINC000426435330 530053659 /nfs/dbraw/zinc/05/36/59/530053659.db2.gz GYXZCISKFXWBKB-UHFFFAOYSA-N 2 2 379.504 2.959 50 0 GFAALP C[N@H+]1CCCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC12CC[NH2+]CC2 ZINC000426435330 530053660 /nfs/dbraw/zinc/05/36/60/530053660.db2.gz GYXZCISKFXWBKB-UHFFFAOYSA-N 2 2 379.504 2.959 50 0 GFAALP c1cncc(C[NH+]2CCN(Cc3ccc(OC[C@@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000299776823 212035912 /nfs/dbraw/zinc/03/59/12/212035912.db2.gz DJNKDUVZYBQVRO-JOCHJYFZSA-N 2 2 380.536 2.778 50 0 GFAALP CCc1cc(C[N@@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@@H](CO)C2)n[nH]1 ZINC000097657148 211369746 /nfs/dbraw/zinc/36/97/46/211369746.db2.gz QTIBLYVKJYMKIL-QGZVFWFLSA-N 2 2 380.602 2.622 50 0 GFAALP CCc1cc(C[N@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@@H](CO)C2)n[nH]1 ZINC000097657148 211369749 /nfs/dbraw/zinc/36/97/49/211369749.db2.gz QTIBLYVKJYMKIL-QGZVFWFLSA-N 2 2 380.602 2.622 50 0 GFAALP Cc1cccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)n1 ZINC000096151999 211311680 /nfs/dbraw/zinc/31/16/80/211311680.db2.gz PKPHHLNFZWDPRS-UHFFFAOYSA-N 2 2 377.496 2.941 50 0 GFAALP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000095519959 211266579 /nfs/dbraw/zinc/26/65/79/211266579.db2.gz IQFXOOQTOAVLOL-HXUWFJFHSA-N 2 2 388.483 2.530 50 0 GFAALP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000095519959 211266584 /nfs/dbraw/zinc/26/65/84/211266584.db2.gz IQFXOOQTOAVLOL-HXUWFJFHSA-N 2 2 388.483 2.530 50 0 GFAALP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095502778 211255512 /nfs/dbraw/zinc/25/55/12/211255512.db2.gz WJMGHBCEHZACSI-QGZVFWFLSA-N 2 2 387.553 2.970 50 0 GFAALP CCN1CC[NH+](C[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]2CO)CC1 ZINC000095384060 211235529 /nfs/dbraw/zinc/23/55/29/211235529.db2.gz FUTMPEFSIHABQW-IAGOWNOFSA-N 2 2 388.943 2.570 50 0 GFAALP CC[NH+]1CCN(C[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]2CO)CC1 ZINC000095384060 211235534 /nfs/dbraw/zinc/23/55/34/211235534.db2.gz FUTMPEFSIHABQW-IAGOWNOFSA-N 2 2 388.943 2.570 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095378432 211232128 /nfs/dbraw/zinc/23/21/28/211232128.db2.gz JJDCHQTWKSDJNA-LJQANCHMSA-N 2 2 378.480 2.628 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000095357195 211221508 /nfs/dbraw/zinc/22/15/08/211221508.db2.gz QXBOFGKRIRJFNA-UHFFFAOYSA-N 2 2 388.487 2.759 50 0 GFAALP CC(C)n1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000092037928 211215267 /nfs/dbraw/zinc/21/52/67/211215267.db2.gz IDLHDGUKDYWKLW-NRFANRHFSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000092037928 211215271 /nfs/dbraw/zinc/21/52/71/211215271.db2.gz IDLHDGUKDYWKLW-NRFANRHFSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000092037928 211215274 /nfs/dbraw/zinc/21/52/74/211215274.db2.gz IDLHDGUKDYWKLW-NRFANRHFSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000092037928 211215275 /nfs/dbraw/zinc/21/52/75/211215275.db2.gz IDLHDGUKDYWKLW-NRFANRHFSA-N 2 2 384.528 2.634 50 0 GFAALP O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071738807 211052928 /nfs/dbraw/zinc/05/29/28/211052928.db2.gz WTWNMHOPYUPIFA-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccoc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071738807 211052932 /nfs/dbraw/zinc/05/29/32/211052932.db2.gz WTWNMHOPYUPIFA-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC000067739395 211019385 /nfs/dbraw/zinc/01/93/85/211019385.db2.gz MCYNVDXPQWFYJZ-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC000067739395 211019388 /nfs/dbraw/zinc/01/93/88/211019388.db2.gz MCYNVDXPQWFYJZ-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC(F)(F)F)CC3)CC2)n1 ZINC000020862732 210364520 /nfs/dbraw/zinc/36/45/20/210364520.db2.gz RPAQBQFTGWFBKG-UHFFFAOYSA-N 2 2 398.473 2.745 50 0 GFAALP Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)NCCc3c[nH+]c[nH]3)s2)cn1 ZINC000020168609 210321503 /nfs/dbraw/zinc/32/15/03/210321503.db2.gz WSMZAOMPCRAUFD-MRXNPFEDSA-N 2 2 384.509 2.514 50 0 GFAALP Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)NCCc3c[nH+]c[nH]3)s2)cn1 ZINC000020168609 210321513 /nfs/dbraw/zinc/32/15/13/210321513.db2.gz WSMZAOMPCRAUFD-MRXNPFEDSA-N 2 2 384.509 2.514 50 0 GFAALP Cc1c[nH+]c(N2CCC[C@H](c3cc(N4CCCC4)nc(C)[nH+]3)C2)nc1N(C)C ZINC000072439768 136170674 /nfs/dbraw/zinc/17/06/74/136170674.db2.gz MXJLAQYEOAQBDK-KRWDZBQOSA-N 2 2 381.528 2.934 50 0 GFAALP COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1OC ZINC000072474461 136171415 /nfs/dbraw/zinc/17/14/15/136171415.db2.gz MDSXIYURTVLUIT-SFHVURJKSA-N 2 2 399.539 2.703 50 0 GFAALP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1OC ZINC000072474461 136171416 /nfs/dbraw/zinc/17/14/16/136171416.db2.gz MDSXIYURTVLUIT-SFHVURJKSA-N 2 2 399.539 2.703 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000095372225 136178558 /nfs/dbraw/zinc/17/85/58/136178558.db2.gz PJZHESAIZIALAK-ZDUSSCGKSA-N 2 2 391.401 2.858 50 0 GFAALP Cc1c[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)nc1N(C)C ZINC000095522982 136181321 /nfs/dbraw/zinc/18/13/21/136181321.db2.gz IYQTTZRANKYWDH-GOSISDBHSA-N 2 2 377.496 2.875 50 0 GFAALP CC(=O)N[C@@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)C1 ZINC000096135922 136184194 /nfs/dbraw/zinc/18/41/94/136184194.db2.gz HGRBGNUDHNWVBE-LJQANCHMSA-N 2 2 379.508 2.631 50 0 GFAALP CC(=O)N[C@@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)C1 ZINC000096135922 136184195 /nfs/dbraw/zinc/18/41/95/136184195.db2.gz HGRBGNUDHNWVBE-LJQANCHMSA-N 2 2 379.508 2.631 50 0 GFAALP O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000247806544 570247109 /nfs/dbraw/zinc/24/71/09/570247109.db2.gz ZUTGZBUZGCQQJA-UXHICEINSA-N 2 2 399.535 2.572 50 0 GFAALP O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000247806544 570247112 /nfs/dbraw/zinc/24/71/12/570247112.db2.gz ZUTGZBUZGCQQJA-UXHICEINSA-N 2 2 399.535 2.572 50 0 GFAALP C[NH+]1CCN(c2nnc3n2-c2ccc(Cl)cc2[C@H](c2ccccc2)[NH2+]C3)CC1 ZINC000005529562 570444456 /nfs/dbraw/zinc/44/44/56/570444456.db2.gz MELAHTGRERHHBZ-FQEVSTJZSA-N 2 2 394.910 2.865 50 0 GFAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901517 570692128 /nfs/dbraw/zinc/69/21/28/570692128.db2.gz BCCAXZCOXCBVHN-HNNXBMFYSA-N 2 2 376.888 2.800 50 0 GFAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901517 570692131 /nfs/dbraw/zinc/69/21/31/570692131.db2.gz BCCAXZCOXCBVHN-HNNXBMFYSA-N 2 2 376.888 2.800 50 0 GFAALP CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3CC)CC2)CC1 ZINC000249690732 570722922 /nfs/dbraw/zinc/72/29/22/570722922.db2.gz KQDSUJDXGJPWRE-UHFFFAOYSA-N 2 2 397.567 2.822 50 0 GFAALP Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1ccccc1OCC[NH+](C)C)CC(=O)NC3 ZINC000065531427 570772311 /nfs/dbraw/zinc/77/23/11/570772311.db2.gz VLDPRQLIUUOOSR-QGZVFWFLSA-N 2 2 378.476 2.735 50 0 GFAALP CO[C@]12CC[N@H+](Cc3ccccc3OCCCn3cc[nH+]c3)[C@H]1C[C@H](O)CC2 ZINC000426634329 231247944 /nfs/dbraw/zinc/24/79/44/231247944.db2.gz RBXYSMZCWVSKNT-BAGYTPMASA-N 2 2 385.508 2.857 50 0 GFAALP CO[C@]12CC[N@@H+](Cc3ccccc3OCCCn3cc[nH+]c3)[C@H]1C[C@H](O)CC2 ZINC000426634329 231247947 /nfs/dbraw/zinc/24/79/47/231247947.db2.gz RBXYSMZCWVSKNT-BAGYTPMASA-N 2 2 385.508 2.857 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426707153 529643974 /nfs/dbraw/zinc/64/39/74/529643974.db2.gz GSQRHTYZCNDHAP-MRXNPFEDSA-N 2 2 384.549 2.746 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426707153 529643975 /nfs/dbraw/zinc/64/39/75/529643975.db2.gz GSQRHTYZCNDHAP-MRXNPFEDSA-N 2 2 384.549 2.746 50 0 GFAALP CC[C@@H]1C[N@H+](CC(=O)NCC[C@@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771517 212035017 /nfs/dbraw/zinc/03/50/17/212035017.db2.gz PXHRDUSIZPMQND-ZWKOTPCHSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[N@@H+](CC(=O)NCC[C@@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771517 212035024 /nfs/dbraw/zinc/03/50/24/212035024.db2.gz PXHRDUSIZPMQND-ZWKOTPCHSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[NH+](CC(=O)NCC[C@@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771517 212035028 /nfs/dbraw/zinc/03/50/28/212035028.db2.gz PXHRDUSIZPMQND-ZWKOTPCHSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[NH+](CC(=O)NCC[C@@H]2CCC[N@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771517 212035035 /nfs/dbraw/zinc/03/50/35/212035035.db2.gz PXHRDUSIZPMQND-ZWKOTPCHSA-N 2 2 379.932 2.914 50 0 GFAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000096164137 211316065 /nfs/dbraw/zinc/31/60/65/211316065.db2.gz JLYGIVIIUODTNB-UHFFFAOYSA-N 2 2 380.496 2.911 50 0 GFAALP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095516773 211263498 /nfs/dbraw/zinc/26/34/98/211263498.db2.gz QRQNFHQCZVFBAF-OAQYLSRUSA-N 2 2 389.503 2.602 50 0 GFAALP CCc1[nH+]ccn1CC[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095496889 211250264 /nfs/dbraw/zinc/25/02/64/211250264.db2.gz WNRVJBYCDYXKMN-UHFFFAOYSA-N 2 2 395.551 2.788 50 0 GFAALP OC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091468824 211194480 /nfs/dbraw/zinc/19/44/80/211194480.db2.gz CFSDQSUFJMIHQN-DHIUTWEWSA-N 2 2 380.532 2.691 50 0 GFAALP OC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091468824 211194483 /nfs/dbraw/zinc/19/44/83/211194483.db2.gz CFSDQSUFJMIHQN-DHIUTWEWSA-N 2 2 380.532 2.691 50 0 GFAALP Cc1nc(C)c(C(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)s1 ZINC000072437860 211120631 /nfs/dbraw/zinc/12/06/31/211120631.db2.gz BQZSBSXEVCNCOG-UHFFFAOYSA-N 2 2 385.497 2.503 50 0 GFAALP COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000072143842 211074906 /nfs/dbraw/zinc/07/49/06/211074906.db2.gz VLIZJWZOIBAMPD-UHFFFAOYSA-N 2 2 376.460 2.839 50 0 GFAALP CC(C)[C@@H]1CN(c2cc(NCCO)[nH+]cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763339 211060152 /nfs/dbraw/zinc/06/01/52/211060152.db2.gz NOKVZHWKRZVZQS-IBGZPJMESA-N 2 2 387.503 2.757 50 0 GFAALP CC(C)[C@@H]1CN(c2cc(NCCO)[nH+]cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071763339 211060157 /nfs/dbraw/zinc/06/01/57/211060157.db2.gz NOKVZHWKRZVZQS-IBGZPJMESA-N 2 2 387.503 2.757 50 0 GFAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)[nH+]1 ZINC000071415564 211046504 /nfs/dbraw/zinc/04/65/04/211046504.db2.gz LWOPIWNBAOMAJS-ROUUACIJSA-N 2 2 379.508 2.766 50 0 GFAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)[nH+]1 ZINC000071415564 211046503 /nfs/dbraw/zinc/04/65/03/211046503.db2.gz LWOPIWNBAOMAJS-ROUUACIJSA-N 2 2 379.508 2.766 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3F)CC2)C1 ZINC000067805582 211022612 /nfs/dbraw/zinc/02/26/12/211022612.db2.gz BODZDEFMGVLMEF-GOSISDBHSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3F)CC2)C1 ZINC000067805582 211022615 /nfs/dbraw/zinc/02/26/15/211022615.db2.gz BODZDEFMGVLMEF-GOSISDBHSA-N 2 2 391.531 2.573 50 0 GFAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000011819641 221128890 /nfs/dbraw/zinc/12/88/90/221128890.db2.gz ZMIBCSYNABSSKI-FQEVSTJZSA-N 2 2 378.480 2.826 50 0 GFAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000011819641 221128892 /nfs/dbraw/zinc/12/88/92/221128892.db2.gz ZMIBCSYNABSSKI-FQEVSTJZSA-N 2 2 378.480 2.826 50 0 GFAALP CSc1cccc(C[N@@H+]2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)c1 ZINC000012592340 570687558 /nfs/dbraw/zinc/68/75/58/570687558.db2.gz VKCZZCWQUCHSBO-RBUKOAKNSA-N 2 2 375.538 2.899 50 0 GFAALP CSc1cccc(C[N@H+]2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)c1 ZINC000012592340 570687561 /nfs/dbraw/zinc/68/75/61/570687561.db2.gz VKCZZCWQUCHSBO-RBUKOAKNSA-N 2 2 375.538 2.899 50 0 GFAALP Cc1cccn2c(CC(=O)N[C@@H]3CCC[N@H+](Cc4cccc(O)c4)C3)c[nH+]c12 ZINC000097729586 211370548 /nfs/dbraw/zinc/37/05/48/211370548.db2.gz GNTIITWENONDBN-GOSISDBHSA-N 2 2 378.476 2.672 50 0 GFAALP Cc1cccn2c(CC(=O)N[C@@H]3CCC[N@@H+](Cc4cccc(O)c4)C3)c[nH+]c12 ZINC000097729586 211370552 /nfs/dbraw/zinc/37/05/52/211370552.db2.gz GNTIITWENONDBN-GOSISDBHSA-N 2 2 378.476 2.672 50 0 GFAALP COc1cc2c(cc1C[NH+]1CCC(c3nnc(C[NH+](C)C)n3C)CC1)CCC2 ZINC000096133812 211303822 /nfs/dbraw/zinc/30/38/22/211303822.db2.gz CQPKQGRQYAMTLR-UHFFFAOYSA-N 2 2 383.540 2.754 50 0 GFAALP CC[N@@H+](Cc1nnc(-c2cccnc2)o1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095507591 211257509 /nfs/dbraw/zinc/25/75/09/211257509.db2.gz QVMZFYCMBWDBCO-UHFFFAOYSA-N 3 2 398.555 2.760 50 0 GFAALP CC[N@H+](Cc1nnc(-c2cccnc2)o1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095507591 211257513 /nfs/dbraw/zinc/25/75/13/211257513.db2.gz QVMZFYCMBWDBCO-UHFFFAOYSA-N 3 2 398.555 2.760 50 0 GFAALP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000095501229 211252740 /nfs/dbraw/zinc/25/27/40/211252740.db2.gz HLOVJQIFJLKOAO-UHFFFAOYSA-N 2 2 384.480 2.861 50 0 GFAALP CC[NH+]1CCC(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000095362906 211226432 /nfs/dbraw/zinc/22/64/32/211226432.db2.gz JMIQODBHJHINOK-WWPVKYPJSA-N 2 2 383.536 2.762 50 0 GFAALP C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091846064 211208728 /nfs/dbraw/zinc/20/87/28/211208728.db2.gz WFORZBVKODBNKU-SFHVURJKSA-N 2 2 381.524 2.764 50 0 GFAALP CSCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082138543 211161304 /nfs/dbraw/zinc/16/13/04/211161304.db2.gz OGLCGVWMNOXDCN-LJQANCHMSA-N 2 2 390.597 2.579 50 0 GFAALP CSCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082138543 211161308 /nfs/dbraw/zinc/16/13/08/211161308.db2.gz OGLCGVWMNOXDCN-LJQANCHMSA-N 2 2 390.597 2.579 50 0 GFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777208 211062236 /nfs/dbraw/zinc/06/22/36/211062236.db2.gz UWTWNVHYWJUGAY-LJQANCHMSA-N 2 2 388.531 2.719 50 0 GFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777208 211062239 /nfs/dbraw/zinc/06/22/39/211062239.db2.gz UWTWNVHYWJUGAY-LJQANCHMSA-N 2 2 388.531 2.719 50 0 GFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760420 211058658 /nfs/dbraw/zinc/05/86/58/211058658.db2.gz SSRBBINJZMQWJI-HXUWFJFHSA-N 2 2 385.552 2.864 50 0 GFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760420 211058662 /nfs/dbraw/zinc/05/86/62/211058662.db2.gz SSRBBINJZMQWJI-HXUWFJFHSA-N 2 2 385.552 2.864 50 0 GFAALP Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000071415729 211047650 /nfs/dbraw/zinc/04/76/50/211047650.db2.gz NSXLSXNKKZKFGH-KRWDZBQOSA-N 2 2 385.556 2.868 50 0 GFAALP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000071415729 211047654 /nfs/dbraw/zinc/04/76/54/211047654.db2.gz NSXLSXNKKZKFGH-KRWDZBQOSA-N 2 2 385.556 2.868 50 0 GFAALP CCCCc1[nH]c(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)c[nH+]1 ZINC000067489833 211010505 /nfs/dbraw/zinc/01/05/05/211010505.db2.gz NAJCGRQODCMYIU-UHFFFAOYSA-N 2 2 389.588 2.907 50 0 GFAALP CCCCc1[nH]c(CN2CC[N@@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)c[nH+]1 ZINC000067489833 211010508 /nfs/dbraw/zinc/01/05/08/211010508.db2.gz NAJCGRQODCMYIU-UHFFFAOYSA-N 2 2 389.588 2.907 50 0 GFAALP CCCCc1[nH]cc(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)[nH+]1 ZINC000067489833 211010512 /nfs/dbraw/zinc/01/05/12/211010512.db2.gz NAJCGRQODCMYIU-UHFFFAOYSA-N 2 2 389.588 2.907 50 0 GFAALP CCCCc1[nH]cc(CN2CC[N@@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)[nH+]1 ZINC000067489833 211010513 /nfs/dbraw/zinc/01/05/13/211010513.db2.gz NAJCGRQODCMYIU-UHFFFAOYSA-N 2 2 389.588 2.907 50 0 GFAALP O[C@@H]1CC[N@H+](Cc2cn(C3CC[NH+](Cc4cccc5ccccc54)CC3)nn2)C1 ZINC000019744826 210291079 /nfs/dbraw/zinc/29/10/79/210291079.db2.gz IAVYXITVBCJLIL-JOCHJYFZSA-N 2 2 391.519 2.835 50 0 GFAALP O[C@@H]1CC[N@@H+](Cc2cn(C3CC[NH+](Cc4cccc5ccccc54)CC3)nn2)C1 ZINC000019744826 210291085 /nfs/dbraw/zinc/29/10/85/210291085.db2.gz IAVYXITVBCJLIL-JOCHJYFZSA-N 2 2 391.519 2.835 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000071745473 136165994 /nfs/dbraw/zinc/16/59/94/136165994.db2.gz YZXJERMDHIDEAM-UHFFFAOYSA-N 2 2 385.556 2.697 50 0 GFAALP C[NH+]1CCN(Cc2ccc(N3CCC[C@@H](c4[nH+]ccn4CC4CC4)C3)nc2)CC1 ZINC000095518500 136181075 /nfs/dbraw/zinc/18/10/75/136181075.db2.gz RLGJCFWWPVRNTD-OAQYLSRUSA-N 2 2 394.567 2.820 50 0 GFAALP Cc1nc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426383137 534614563 /nfs/dbraw/zinc/61/45/63/534614563.db2.gz NFVKSWHHMAWGJW-FQEVSTJZSA-N 2 2 378.520 2.968 50 0 GFAALP Cc1nc(N2CCC[N@H+](C3Cc4ccccc4C3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426383137 534614564 /nfs/dbraw/zinc/61/45/64/534614564.db2.gz NFVKSWHHMAWGJW-FQEVSTJZSA-N 2 2 378.520 2.968 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1c(F)cccc1Cl ZINC000022074897 570304928 /nfs/dbraw/zinc/30/49/28/570304928.db2.gz PBPQOQJOSBMTHP-UHFFFAOYSA-N 2 2 382.863 2.738 50 0 GFAALP O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023652260 570368012 /nfs/dbraw/zinc/36/80/12/570368012.db2.gz ZUTGZBUZGCQQJA-WOJBJXKFSA-N 2 2 399.535 2.572 50 0 GFAALP O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023652260 570368014 /nfs/dbraw/zinc/36/80/14/570368014.db2.gz ZUTGZBUZGCQQJA-WOJBJXKFSA-N 2 2 399.535 2.572 50 0 GFAALP CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000024988181 570402027 /nfs/dbraw/zinc/40/20/27/570402027.db2.gz JHEMOUNXGDYQER-UHFFFAOYSA-N 2 2 388.556 2.583 50 0 GFAALP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306238 570638583 /nfs/dbraw/zinc/63/85/83/570638583.db2.gz DFMKFZOQWOUJNK-FQEVSTJZSA-N 2 2 386.927 2.948 50 0 GFAALP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306238 570638585 /nfs/dbraw/zinc/63/85/85/570638585.db2.gz DFMKFZOQWOUJNK-FQEVSTJZSA-N 2 2 386.927 2.948 50 0 GFAALP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306238 570638588 /nfs/dbraw/zinc/63/85/88/570638588.db2.gz DFMKFZOQWOUJNK-FQEVSTJZSA-N 2 2 386.927 2.948 50 0 GFAALP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306238 570638592 /nfs/dbraw/zinc/63/85/92/570638592.db2.gz DFMKFZOQWOUJNK-FQEVSTJZSA-N 2 2 386.927 2.948 50 0 GFAALP Cc1ccc2[nH+]c3c(n2c1)[C@H](c1ccccc1OCC[NH+](C)C)CC(=O)NC3 ZINC000065531425 570772254 /nfs/dbraw/zinc/77/22/54/570772254.db2.gz VLDPRQLIUUOOSR-KRWDZBQOSA-N 2 2 378.476 2.735 50 0 GFAALP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000534578887 570901975 /nfs/dbraw/zinc/90/19/75/570901975.db2.gz IIUWBIQTFBVUIJ-FQEVSTJZSA-N 2 2 375.476 2.770 50 0 GFAALP CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c[nH+]1 ZINC000252508262 570978965 /nfs/dbraw/zinc/97/89/65/570978965.db2.gz XIMZYRJAMIFUED-MRXNPFEDSA-N 2 2 382.512 2.715 50 0 GFAALP C[C@H]1C[NH+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000084706261 571032299 /nfs/dbraw/zinc/03/22/99/571032299.db2.gz KNXFKNMYFLEONC-STQMWFEESA-N 2 2 385.302 2.767 50 0 GFAALP c1cn(CCC[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)c[nH+]1 ZINC000013717699 210083169 /nfs/dbraw/zinc/08/31/69/210083169.db2.gz COAFMSHFOUFWRK-UHFFFAOYSA-N 2 2 375.436 2.831 50 0 GFAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096151773 211311303 /nfs/dbraw/zinc/31/13/03/211311303.db2.gz BASXVMRTLIYJNN-UHFFFAOYSA-N 2 2 376.508 2.890 50 0 GFAALP O=C(C[NH+]1CCCCCC1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095505345 211257914 /nfs/dbraw/zinc/25/79/14/211257914.db2.gz WMXNYHAYEYUGSL-UHFFFAOYSA-N 2 2 387.553 2.970 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3F)CC2)C1 ZINC000071776503 211062818 /nfs/dbraw/zinc/06/28/18/211062818.db2.gz YTGHKLBAUNWEMI-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3F)CC2)C1 ZINC000071776503 211062822 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PXEMTEUHJBCMJE-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2O)CC1 ZINC000020541694 210346210 /nfs/dbraw/zinc/34/62/10/210346210.db2.gz PXEMTEUHJBCMJE-WOJBJXKFSA-N 2 2 389.927 2.783 50 0 GFAALP CSCCC[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323292 210327359 /nfs/dbraw/zinc/32/73/59/210327359.db2.gz NFGRMVWNQIAAHY-LJQANCHMSA-N 2 2 391.581 2.750 50 0 GFAALP CSCCC[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323292 210327362 /nfs/dbraw/zinc/32/73/62/210327362.db2.gz NFGRMVWNQIAAHY-LJQANCHMSA-N 2 2 391.581 2.750 50 0 GFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000011820674 221129510 /nfs/dbraw/zinc/12/95/10/221129510.db2.gz IJXNXNFNNGRLQF-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000011820674 221129514 /nfs/dbraw/zinc/12/95/14/221129514.db2.gz IJXNXNFNNGRLQF-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCO4)c3)CC2)CC1 ZINC000011933841 221137944 /nfs/dbraw/zinc/13/79/44/221137944.db2.gz PIVQERVWULWBIN-UHFFFAOYSA-N 2 2 387.524 2.792 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000082230722 136174610 /nfs/dbraw/zinc/17/46/10/136174610.db2.gz NEAQAWNJUURHDG-UHFFFAOYSA-N 2 2 391.479 2.942 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000095521516 136181150 /nfs/dbraw/zinc/18/11/50/136181150.db2.gz QJBJULZVCBZPJW-UHFFFAOYSA-N 2 2 380.540 2.924 50 0 GFAALP CCc1nc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3CC)CC2)cc(C)[nH+]1 ZINC000096136417 136184100 /nfs/dbraw/zinc/18/41/00/136184100.db2.gz KAPQDKPWSKQEDF-UHFFFAOYSA-N 2 2 380.500 2.588 50 0 GFAALP CCN1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)CC1=O ZINC000096140467 136184300 /nfs/dbraw/zinc/18/43/00/136184300.db2.gz ASLFSVQOUSGKPE-IBGZPJMESA-N 2 2 379.508 2.631 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)CCn3cc[nH+]c3)csc2C1 ZINC000426566894 534356465 /nfs/dbraw/zinc/35/64/65/534356465.db2.gz MJSCRZRWNDYRGC-UHFFFAOYSA-N 2 2 399.520 2.880 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)CCn3cc[nH+]c3)csc2C1 ZINC000426566894 534356475 /nfs/dbraw/zinc/35/64/75/534356475.db2.gz MJSCRZRWNDYRGC-UHFFFAOYSA-N 2 2 399.520 2.880 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCn3cc[nH+]c3C)csc2C1 ZINC000426501714 534361022 /nfs/dbraw/zinc/36/10/22/534361022.db2.gz DZYNODDFWYESFA-UHFFFAOYSA-N 2 2 399.520 2.846 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCn3cc[nH+]c3C)csc2C1 ZINC000426501714 534361031 /nfs/dbraw/zinc/36/10/31/534361031.db2.gz DZYNODDFWYESFA-UHFFFAOYSA-N 2 2 399.520 2.846 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCCn3cc[nH+]c3)csc2C1 ZINC000426503255 534362087 /nfs/dbraw/zinc/36/20/87/534362087.db2.gz JMMAXEKAFLJWJC-UHFFFAOYSA-N 2 2 399.520 2.928 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCCn3cc[nH+]c3)csc2C1 ZINC000426503255 534362095 /nfs/dbraw/zinc/36/20/95/534362095.db2.gz JMMAXEKAFLJWJC-UHFFFAOYSA-N 2 2 399.520 2.928 50 0 GFAALP Cc1cc(N2CCC(n3cc(C[N@@H+]4CC[C@H](O)C4)nn3)CC2)c2ccccc2[nH+]1 ZINC000023542770 570365008 /nfs/dbraw/zinc/36/50/08/570365008.db2.gz UHAMHZGCXMPSMK-IBGZPJMESA-N 2 2 392.507 2.543 50 0 GFAALP Cc1cc(N2CCC(n3cc(C[N@H+]4CC[C@H](O)C4)nn3)CC2)c2ccccc2[nH+]1 ZINC000023542770 570365009 /nfs/dbraw/zinc/36/50/09/570365009.db2.gz UHAMHZGCXMPSMK-IBGZPJMESA-N 2 2 392.507 2.543 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000095353873 230976396 /nfs/dbraw/zinc/97/63/96/230976396.db2.gz RJSHAGVSLYLPJQ-FQEVSTJZSA-N 2 2 382.508 2.545 50 0 GFAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000426387352 231212454 /nfs/dbraw/zinc/21/24/54/231212454.db2.gz XFTMFQJBDYFDMI-GOSISDBHSA-N 2 2 378.480 2.999 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426685458 529644939 /nfs/dbraw/zinc/64/49/39/529644939.db2.gz VHQFAQMYGAZMHX-HZPDHXFCSA-N 2 2 384.549 2.873 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426685458 529644942 /nfs/dbraw/zinc/64/49/42/529644942.db2.gz VHQFAQMYGAZMHX-HZPDHXFCSA-N 2 2 384.549 2.873 50 0 GFAALP CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)on2)C1 ZINC000011937080 212078604 /nfs/dbraw/zinc/07/86/04/212078604.db2.gz APNJZDMOWDRONV-INIZCTEOSA-N 2 2 381.480 2.937 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1cccnc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011664942 221120697 /nfs/dbraw/zinc/12/06/97/221120697.db2.gz UPCHRLIPQPNYAB-QFIPXVFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1cccnc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011664942 221120699 /nfs/dbraw/zinc/12/06/99/221120699.db2.gz UPCHRLIPQPNYAB-QFIPXVFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[N@H+](C)Cc1cccnc1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000011664942 221120701 /nfs/dbraw/zinc/12/07/01/221120701.db2.gz UPCHRLIPQPNYAB-QFIPXVFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[N@@H+](C)Cc1cccnc1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000011664942 221120703 /nfs/dbraw/zinc/12/07/03/221120703.db2.gz UPCHRLIPQPNYAB-QFIPXVFZSA-N 2 2 380.536 2.679 50 0 GFAALP O=c1c(C[NH2+]CCCn2cc[nH+]c2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000012241962 221173760 /nfs/dbraw/zinc/17/37/60/221173760.db2.gz JONZTIOCFXBARJ-UHFFFAOYSA-N 2 2 391.450 2.960 50 0 GFAALP CCCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980645 221323735 /nfs/dbraw/zinc/32/37/35/221323735.db2.gz JGCRGMIRQXGZII-SFHVURJKSA-N 2 2 387.572 2.557 50 0 GFAALP CCCn1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980645 221323739 /nfs/dbraw/zinc/32/37/39/221323739.db2.gz JGCRGMIRQXGZII-SFHVURJKSA-N 2 2 387.572 2.557 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2)c1C ZINC000072446843 136170936 /nfs/dbraw/zinc/17/09/36/136170936.db2.gz MBUJOURKURIRKN-UHFFFAOYSA-N 2 2 394.454 2.689 50 0 GFAALP CCc1cc(N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc(C)[nH+]1 ZINC000091493952 136176426 /nfs/dbraw/zinc/17/64/26/136176426.db2.gz ZPNMXFRRYCSUMG-NRFANRHFSA-N 2 2 382.512 2.522 50 0 GFAALP C[C@@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCOCC1 ZINC000065452051 222129883 /nfs/dbraw/zinc/12/98/83/222129883.db2.gz MWNYVHDWVPQEOL-IBGZPJMESA-N 2 2 380.536 2.889 50 0 GFAALP C[C@@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCOCC1 ZINC000065452051 222129887 /nfs/dbraw/zinc/12/98/87/222129887.db2.gz MWNYVHDWVPQEOL-IBGZPJMESA-N 2 2 380.536 2.889 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000067601931 222149203 /nfs/dbraw/zinc/14/92/03/222149203.db2.gz YDLSTXYKOLTBDU-UHFFFAOYSA-N 2 2 382.855 2.587 50 0 GFAALP O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071662849 222186398 /nfs/dbraw/zinc/18/63/98/222186398.db2.gz AGYDRGNITTZJFO-FQEVSTJZSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071662849 222186402 /nfs/dbraw/zinc/18/64/02/222186402.db2.gz AGYDRGNITTZJFO-FQEVSTJZSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000071730323 222188226 /nfs/dbraw/zinc/18/82/26/222188226.db2.gz NXVAORJKCLSEJE-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000071730323 222188231 /nfs/dbraw/zinc/18/82/31/222188231.db2.gz NXVAORJKCLSEJE-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP CC(C)[C@H]1CN(c2cc(NCCO)[nH+]cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763340 222193806 /nfs/dbraw/zinc/19/38/06/222193806.db2.gz NOKVZHWKRZVZQS-LJQANCHMSA-N 2 2 387.503 2.757 50 0 GFAALP CC(C)[C@H]1CN(c2cc(NCCO)[nH+]cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071763340 222193809 /nfs/dbraw/zinc/19/38/09/222193809.db2.gz NOKVZHWKRZVZQS-LJQANCHMSA-N 2 2 387.503 2.757 50 0 GFAALP COc1cc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)ccc1O ZINC000095524375 222348817 /nfs/dbraw/zinc/34/88/17/222348817.db2.gz SPCRXDSXLSIYJJ-UHFFFAOYSA-N 2 2 386.496 2.569 50 0 GFAALP C[N@H+](CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527534 222351026 /nfs/dbraw/zinc/35/10/26/222351026.db2.gz ZPZRCGBRCMHGRB-MRXNPFEDSA-N 2 2 387.553 2.968 50 0 GFAALP C[N@@H+](CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527534 222351029 /nfs/dbraw/zinc/35/10/29/222351029.db2.gz ZPZRCGBRCMHGRB-MRXNPFEDSA-N 2 2 387.553 2.968 50 0 GFAALP COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000072158267 537071284 /nfs/dbraw/zinc/07/12/84/537071284.db2.gz PWSTZYVYRZZNET-KRWDZBQOSA-N 2 2 392.507 2.758 50 0 GFAALP Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000100711019 570274965 /nfs/dbraw/zinc/27/49/65/570274965.db2.gz CBUPVGYWCGHUAN-NRFANRHFSA-N 2 2 377.488 2.881 50 0 GFAALP CCNC(=O)[C@@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@@H+]1Cc1cccc2ccccc21 ZINC000020917032 570285074 /nfs/dbraw/zinc/28/50/74/570285074.db2.gz ZFIJTWHNBJLVCK-GMAHTHKFSA-N 2 2 394.563 2.603 50 0 GFAALP CCNC(=O)[C@@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@H+]1Cc1cccc2ccccc21 ZINC000020917032 570285075 /nfs/dbraw/zinc/28/50/75/570285075.db2.gz 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Cc1[nH+]c[nH]c1CSCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534576706 570901361 /nfs/dbraw/zinc/90/13/61/570901361.db2.gz YKNNYZKJHGMKOL-GOSISDBHSA-N 2 2 387.553 2.867 50 0 GFAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000091818647 571031777 /nfs/dbraw/zinc/03/17/77/571031777.db2.gz FCENQINUWDCJPE-UHFFFAOYSA-N 2 2 376.508 2.965 50 0 GFAALP Cc1ccc(-c2cccc(C(=O)NCc3cc4n(n3)CCC[NH2+]C4)c2)c(C)[nH+]1 ZINC000426433560 231220563 /nfs/dbraw/zinc/22/05/63/231220563.db2.gz FQHKQHFLDFESSY-UHFFFAOYSA-N 2 2 375.476 2.985 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[NH2+]CC4)csc3C2)nc1 ZINC000426409230 529643821 /nfs/dbraw/zinc/64/38/21/529643821.db2.gz XPMYKZGJBZIJAM-UHFFFAOYSA-N 2 2 384.549 2.699 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[NH2+]CC4)csc3C2)nc1 ZINC000426409230 529643825 /nfs/dbraw/zinc/64/38/25/529643825.db2.gz XPMYKZGJBZIJAM-UHFFFAOYSA-N 2 2 384.549 2.699 50 0 GFAALP CCc1nccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426551047 529759530 /nfs/dbraw/zinc/75/95/30/529759530.db2.gz HGDNDURYVFNHPY-QGZVFWFLSA-N 2 2 383.544 2.533 50 0 GFAALP CCc1nccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426551047 529759531 /nfs/dbraw/zinc/75/95/31/529759531.db2.gz HGDNDURYVFNHPY-QGZVFWFLSA-N 2 2 383.544 2.533 50 0 GFAALP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)cc1OC ZINC000011820274 221130053 /nfs/dbraw/zinc/13/00/53/221130053.db2.gz KYMVZISEWJBRNJ-QRBZPYHOSA-N 2 2 398.507 2.606 50 0 GFAALP COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)cc1OC ZINC000011820274 221130056 /nfs/dbraw/zinc/13/00/56/221130056.db2.gz KYMVZISEWJBRNJ-QRBZPYHOSA-N 2 2 398.507 2.606 50 0 GFAALP Cc1cc(N2CCC([NH2+]CC(=O)N3CCCC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096131938 136184058 /nfs/dbraw/zinc/18/40/58/136184058.db2.gz HAFBXGRTUDBGPK-UHFFFAOYSA-N 2 2 379.508 2.633 50 0 GFAALP Cc1cc(N2CCC([NH2+]CCCn3cncn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096139335 136184379 /nfs/dbraw/zinc/18/43/79/136184379.db2.gz POOMYOAMVSSIEE-UHFFFAOYSA-N 2 2 377.496 2.692 50 0 GFAALP Cc1c(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cnn1CC[NH+]1CCOCC1 ZINC000067674285 222154292 /nfs/dbraw/zinc/15/42/92/222154292.db2.gz UAEIUPMKENTHJB-UHFFFAOYSA-N 2 2 379.508 2.563 50 0 GFAALP Cc1c(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cnn1CC[NH+]1CCOCC1 ZINC000067674285 222154296 /nfs/dbraw/zinc/15/42/96/222154296.db2.gz UAEIUPMKENTHJB-UHFFFAOYSA-N 2 2 379.508 2.563 50 0 GFAALP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C[N@@H+]3CCc4ccccc4C3)on2)C1 ZINC000067695112 222155777 /nfs/dbraw/zinc/15/57/77/222155777.db2.gz ICHPXAIXIACACH-LJQANCHMSA-N 2 2 382.508 2.789 50 0 GFAALP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C[N@H+]3CCc4ccccc4C3)on2)C1 ZINC000067695112 222155781 /nfs/dbraw/zinc/15/57/81/222155781.db2.gz ICHPXAIXIACACH-LJQANCHMSA-N 2 2 382.508 2.789 50 0 GFAALP CCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCc4ccccc4C3)on2)CC1 ZINC000067771022 222158693 /nfs/dbraw/zinc/15/86/93/222158693.db2.gz OSZIDVVVDNZTAP-UHFFFAOYSA-N 2 2 382.508 2.791 50 0 GFAALP CCC[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCc4ccccc4C3)on2)CC1 ZINC000067771022 222158697 /nfs/dbraw/zinc/15/86/97/222158697.db2.gz OSZIDVVVDNZTAP-UHFFFAOYSA-N 2 2 382.508 2.791 50 0 GFAALP CCC[NH+]1CCCN(C(=O)c2cc(C[N@@H+]3CCc4ccccc4C3)on2)CC1 ZINC000067771022 222158700 /nfs/dbraw/zinc/15/87/00/222158700.db2.gz OSZIDVVVDNZTAP-UHFFFAOYSA-N 2 2 382.508 2.791 50 0 GFAALP CCC[NH+]1CCCN(C(=O)c2cc(C[N@H+]3CCc4ccccc4C3)on2)CC1 ZINC000067771022 222158704 /nfs/dbraw/zinc/15/87/04/222158704.db2.gz OSZIDVVVDNZTAP-UHFFFAOYSA-N 2 2 382.508 2.791 50 0 GFAALP COc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479675 222186223 /nfs/dbraw/zinc/18/62/23/222186223.db2.gz MBTBRPCXXGJZBN-KRWDZBQOSA-N 2 2 389.515 2.789 50 0 GFAALP COc1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479675 222186225 /nfs/dbraw/zinc/18/62/25/222186225.db2.gz MBTBRPCXXGJZBN-KRWDZBQOSA-N 2 2 389.515 2.789 50 0 GFAALP O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071736192 222187940 /nfs/dbraw/zinc/18/79/40/222187940.db2.gz HXRRIPPUOGGUJJ-HXUWFJFHSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071736192 222187942 /nfs/dbraw/zinc/18/79/42/222187942.db2.gz HXRRIPPUOGGUJJ-HXUWFJFHSA-N 2 2 396.535 2.710 50 0 GFAALP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764800 222195246 /nfs/dbraw/zinc/19/52/46/222195246.db2.gz HENSLMWPCSPDCQ-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764800 222195249 /nfs/dbraw/zinc/19/52/49/222195249.db2.gz HENSLMWPCSPDCQ-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000095529374 222352788 /nfs/dbraw/zinc/35/27/88/222352788.db2.gz GBSJNCWHHJNODB-UHFFFAOYSA-N 2 2 390.491 2.809 50 0 GFAALP CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000095529374 222352791 /nfs/dbraw/zinc/35/27/91/222352791.db2.gz GBSJNCWHHJNODB-UHFFFAOYSA-N 2 2 390.491 2.809 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2ccc(O)cc2)C1 ZINC000095530019 222352801 /nfs/dbraw/zinc/35/28/01/222352801.db2.gz XFLXKKINQLRGDJ-IBGZPJMESA-N 2 2 384.524 2.879 50 0 GFAALP CN(C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530410 222353624 /nfs/dbraw/zinc/35/36/24/222353624.db2.gz GZAOJJSVSHCKFQ-QGZVFWFLSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530410 222353627 /nfs/dbraw/zinc/35/36/27/222353627.db2.gz GZAOJJSVSHCKFQ-QGZVFWFLSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530410 222353629 /nfs/dbraw/zinc/35/36/29/222353629.db2.gz GZAOJJSVSHCKFQ-QGZVFWFLSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530410 222353631 /nfs/dbraw/zinc/35/36/31/222353631.db2.gz GZAOJJSVSHCKFQ-QGZVFWFLSA-N 2 2 385.474 2.980 50 0 GFAALP CCc1c(C)[nH+]c(C)nc1N1CCC2(CCC(=O)N(CCC[NH+](C)C)C2)CC1 ZINC000091829257 536070423 /nfs/dbraw/zinc/07/04/23/536070423.db2.gz XZDPTROSMISBQM-UHFFFAOYSA-N 2 2 387.572 2.817 50 0 GFAALP COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019782439 570218628 /nfs/dbraw/zinc/21/86/28/570218628.db2.gz URNKVWVDUBLFNJ-OAQYLSRUSA-N 2 2 393.487 2.581 50 0 GFAALP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584902994 570270391 /nfs/dbraw/zinc/27/03/91/570270391.db2.gz UPXNWHIDTZWDJS-IBGZPJMESA-N 2 2 399.514 2.966 50 0 GFAALP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584902994 570270394 /nfs/dbraw/zinc/27/03/94/570270394.db2.gz UPXNWHIDTZWDJS-IBGZPJMESA-N 2 2 399.514 2.966 50 0 GFAALP Cc1cccc(N2CC[NH+](Cc3cccn3CC[NH+]3CCOCC3)CC2)c1C ZINC000006268114 570353859 /nfs/dbraw/zinc/35/38/59/570353859.db2.gz JBTABYSEPTUJJX-UHFFFAOYSA-N 2 2 382.552 2.759 50 0 GFAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2ccc3c(c2)CCCO3)c(C)[nH+]1 ZINC000072149061 570872617 /nfs/dbraw/zinc/87/26/17/570872617.db2.gz QMGZIVPZJIFOIW-ROUUACIJSA-N 2 2 382.508 2.567 50 0 GFAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2ccc3c(c2)CCCO3)c(C)[nH+]1 ZINC000072149061 570872621 /nfs/dbraw/zinc/87/26/21/570872621.db2.gz QMGZIVPZJIFOIW-ROUUACIJSA-N 2 2 382.508 2.567 50 0 GFAALP Cc1ccc2nc(C(=O)N3CCC[C@H](c4[nH+]ccn4CCC[NH+](C)C)C3)cn2c1 ZINC000095372068 571061692 /nfs/dbraw/zinc/06/16/92/571061692.db2.gz IZLUJJCAGHGGTD-SFHVURJKSA-N 2 2 394.523 2.811 50 0 GFAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1Cl ZINC000019338499 654524378 /nfs/dbraw/zinc/52/43/78/654524378.db2.gz PJYWIAMFZDOOLW-INIZCTEOSA-N 2 2 387.977 2.685 50 0 GFAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)cc1Cl ZINC000019338499 654524380 /nfs/dbraw/zinc/52/43/80/654524380.db2.gz PJYWIAMFZDOOLW-INIZCTEOSA-N 2 2 387.977 2.685 50 0 GFAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000426374408 231209923 /nfs/dbraw/zinc/20/99/23/231209923.db2.gz QSROMEHQZYYCSI-GOSISDBHSA-N 2 2 375.561 2.532 50 0 GFAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000426374408 231209925 /nfs/dbraw/zinc/20/99/25/231209925.db2.gz QSROMEHQZYYCSI-GOSISDBHSA-N 2 2 375.561 2.532 50 0 GFAALP Cn1c(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)nc2ccccc21 ZINC000000814089 212184398 /nfs/dbraw/zinc/18/43/98/212184398.db2.gz LFRJTCGGGNNDLK-UHFFFAOYSA-N 2 2 390.491 2.867 50 0 GFAALP C[N@H+](CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000011838903 221130998 /nfs/dbraw/zinc/13/09/98/221130998.db2.gz YKIPVAABMURFTJ-UHFFFAOYSA-N 2 2 378.904 2.858 50 0 GFAALP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000011838903 221131000 /nfs/dbraw/zinc/13/10/00/221131000.db2.gz YKIPVAABMURFTJ-UHFFFAOYSA-N 2 2 378.904 2.858 50 0 GFAALP COCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000012439754 221194998 /nfs/dbraw/zinc/19/49/98/221194998.db2.gz ZGVWMKUGOMIMGE-UHFFFAOYSA-N 2 2 389.540 2.725 50 0 GFAALP Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCN(c4cccc(C)[nH+]4)CC3)c2)n1 ZINC000019114130 221396819 /nfs/dbraw/zinc/39/68/19/221396819.db2.gz AHHBJLUTYJDJLV-UHFFFAOYSA-N 2 2 375.476 2.771 50 0 GFAALP Cc1ccc(-c2ccnc(N3CCC([NH2+]CCn4cccn4)CC3)n2)c(C)[nH+]1 ZINC000095522163 136181331 /nfs/dbraw/zinc/18/13/31/136181331.db2.gz DKWYIWMWIURLKV-UHFFFAOYSA-N 2 2 377.496 2.611 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000067920224 222166751 /nfs/dbraw/zinc/16/67/51/222166751.db2.gz NNPNIDVNQSCXQB-IBGZPJMESA-N 2 2 398.551 2.607 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000067920224 222166752 /nfs/dbraw/zinc/16/67/52/222166752.db2.gz NNPNIDVNQSCXQB-IBGZPJMESA-N 2 2 398.551 2.607 50 0 GFAALP Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000071754793 222191339 /nfs/dbraw/zinc/19/13/39/222191339.db2.gz FPMVORUADNNPCV-HXUWFJFHSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000071754793 222191342 /nfs/dbraw/zinc/19/13/42/222191342.db2.gz FPMVORUADNNPCV-HXUWFJFHSA-N 2 2 396.535 2.976 50 0 GFAALP COc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479676 222184799 /nfs/dbraw/zinc/18/47/99/222184799.db2.gz MBTBRPCXXGJZBN-QGZVFWFLSA-N 2 2 389.515 2.789 50 0 GFAALP COc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479676 222184804 /nfs/dbraw/zinc/18/48/04/222184804.db2.gz MBTBRPCXXGJZBN-QGZVFWFLSA-N 2 2 389.515 2.789 50 0 GFAALP CC(C)[C@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071662582 222185996 /nfs/dbraw/zinc/18/59/96/222185996.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@H]1C[N@H+](C2CCN(C(=O)c3cnccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071662582 222186001 /nfs/dbraw/zinc/18/60/01/222186001.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3cnccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071662582 222186005 /nfs/dbraw/zinc/18/60/05/222186005.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 2 2 385.556 2.524 50 0 GFAALP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3cnccn3)CC2)CCC[N@H+]1CC1CC1 ZINC000071662582 222186009 /nfs/dbraw/zinc/18/60/09/222186009.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 2 2 385.556 2.524 50 0 GFAALP C[C@@H]1CN(C(=O)C2([NH+](C)CCc3ccccc3)Cc3ccccc3C2)CC[N@@H+]1C ZINC000072171232 222217054 /nfs/dbraw/zinc/21/70/54/222217054.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@@H]1CN(C(=O)C2([NH+](C)CCc3ccccc3)Cc3ccccc3C2)CC[N@H+]1C ZINC000072171232 222217057 /nfs/dbraw/zinc/21/70/57/222217057.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH+]1C ZINC000072171232 222217059 /nfs/dbraw/zinc/21/70/59/222217059.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@@H]1CN(C(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH+]1C ZINC000072171232 222217061 /nfs/dbraw/zinc/21/70/61/222217061.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 2 2 391.559 2.861 50 0 GFAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000095499609 222334329 /nfs/dbraw/zinc/33/43/29/222334329.db2.gz AHVABQXDCMJIGM-IBGZPJMESA-N 2 2 376.545 2.889 50 0 GFAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000095499609 222334332 /nfs/dbraw/zinc/33/43/32/222334332.db2.gz AHVABQXDCMJIGM-IBGZPJMESA-N 2 2 376.545 2.889 50 0 GFAALP CCOc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)cn1 ZINC000096142318 222388391 /nfs/dbraw/zinc/38/83/91/222388391.db2.gz UFNPMYXJQLZRAR-UHFFFAOYSA-N 2 2 384.528 2.584 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423840 534686631 /nfs/dbraw/zinc/68/66/31/534686631.db2.gz YDDXSTDKVSTPTD-KRWDZBQOSA-N 2 2 383.496 2.519 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423840 534686636 /nfs/dbraw/zinc/68/66/36/534686636.db2.gz YDDXSTDKVSTPTD-KRWDZBQOSA-N 2 2 383.496 2.519 50 0 GFAALP C[NH+]1CCC([N@@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000072417785 536340039 /nfs/dbraw/zinc/34/00/39/536340039.db2.gz DGADDJFGFBAAIX-IBGZPJMESA-N 2 2 388.943 2.855 50 0 GFAALP C[NH+]1CCC([N@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000072417785 536340042 /nfs/dbraw/zinc/34/00/42/536340042.db2.gz DGADDJFGFBAAIX-IBGZPJMESA-N 2 2 388.943 2.855 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(OCC)c2)C3)CC1 ZINC000015779583 570243501 /nfs/dbraw/zinc/24/35/01/570243501.db2.gz RCGJMBVJQQHSDJ-UHFFFAOYSA-N 2 2 395.551 2.966 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(OCC)c2)C3)CC1 ZINC000015779583 570243504 /nfs/dbraw/zinc/24/35/04/570243504.db2.gz RCGJMBVJQQHSDJ-UHFFFAOYSA-N 2 2 395.551 2.966 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)CC1 ZINC000022919404 570335660 /nfs/dbraw/zinc/33/56/60/570335660.db2.gz GAPQAKLBBWOITG-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)CC1 ZINC000022919404 570335662 /nfs/dbraw/zinc/33/56/62/570335662.db2.gz GAPQAKLBBWOITG-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)cc3F)C[C@@H]2CCO)CC1 ZINC000022919404 570335663 /nfs/dbraw/zinc/33/56/63/570335663.db2.gz GAPQAKLBBWOITG-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)cc3F)C[C@@H]2CCO)CC1 ZINC000022919404 570335665 /nfs/dbraw/zinc/33/56/65/570335665.db2.gz GAPQAKLBBWOITG-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP C[C@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039424 570346488 /nfs/dbraw/zinc/34/64/88/570346488.db2.gz UCFYNFWBINJHGX-SFHVURJKSA-N 2 2 384.524 2.817 50 0 GFAALP C[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039424 570346492 /nfs/dbraw/zinc/34/64/92/570346492.db2.gz UCFYNFWBINJHGX-SFHVURJKSA-N 2 2 384.524 2.817 50 0 GFAALP FC(F)(F)c1ccc(N2CC[NH+](C3CC[NH+](C4CCOCC4)CC3)CC2)nc1 ZINC000245053496 570419567 /nfs/dbraw/zinc/41/95/67/570419567.db2.gz OWUPSGBJXUHBRL-UHFFFAOYSA-N 2 2 398.473 2.866 50 0 GFAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3CCOC[C@H]3OCc3cscn3)CC2)c1 ZINC000223160704 570447703 /nfs/dbraw/zinc/44/77/03/570447703.db2.gz ODZOZKCJQIOPJD-RTBURBONSA-N 2 2 377.510 2.664 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426621748 570502008 /nfs/dbraw/zinc/50/20/08/570502008.db2.gz PVGUMRJAMZBUCE-UHFFFAOYSA-N 2 2 398.576 2.993 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426621748 570502009 /nfs/dbraw/zinc/50/20/09/570502009.db2.gz PVGUMRJAMZBUCE-UHFFFAOYSA-N 2 2 398.576 2.993 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248161376 570721381 /nfs/dbraw/zinc/72/13/81/570721381.db2.gz LRJIQVVIBWKPJG-IBGZPJMESA-N 2 2 397.567 2.993 50 0 GFAALP COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776732 570799101 /nfs/dbraw/zinc/79/91/01/570799101.db2.gz MUQICPWMGZHQPU-NRFANRHFSA-N 2 2 394.519 2.966 50 0 GFAALP COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776732 570799103 /nfs/dbraw/zinc/79/91/03/570799103.db2.gz MUQICPWMGZHQPU-NRFANRHFSA-N 2 2 394.519 2.966 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426544652 529644642 /nfs/dbraw/zinc/64/46/42/529644642.db2.gz GSQRHTYZCNDHAP-INIZCTEOSA-N 2 2 384.549 2.746 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426544652 529644643 /nfs/dbraw/zinc/64/46/43/529644643.db2.gz GSQRHTYZCNDHAP-INIZCTEOSA-N 2 2 384.549 2.746 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]cn1 ZINC000065365426 136163619 /nfs/dbraw/zinc/16/36/19/136163619.db2.gz IXNMIPAIRSRSNR-UHFFFAOYSA-N 2 2 397.870 2.978 50 0 GFAALP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000089599281 136175637 /nfs/dbraw/zinc/17/56/37/136175637.db2.gz KTDDVUGDIWGISV-LJQANCHMSA-N 2 2 385.556 2.964 50 0 GFAALP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000089599281 136175638 /nfs/dbraw/zinc/17/56/38/136175638.db2.gz KTDDVUGDIWGISV-LJQANCHMSA-N 2 2 385.556 2.964 50 0 GFAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1 ZINC000022075637 221553517 /nfs/dbraw/zinc/55/35/17/221553517.db2.gz BTUFGKLEJHZTOW-UHFFFAOYSA-N 2 2 378.900 2.989 50 0 GFAALP CCn1cc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCCC4)n3C)CC2)cn1 ZINC000096153452 222390695 /nfs/dbraw/zinc/39/06/95/222390695.db2.gz NTKODJLWAWLMMI-UHFFFAOYSA-N 2 2 385.560 2.787 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000065245010 535521425 /nfs/dbraw/zinc/52/14/25/535521425.db2.gz PFZIMRSKCBKQAP-MSOLQXFVSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000065245010 535521429 /nfs/dbraw/zinc/52/14/29/535521429.db2.gz PFZIMRSKCBKQAP-MSOLQXFVSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000065245010 535521432 /nfs/dbraw/zinc/52/14/32/535521432.db2.gz PFZIMRSKCBKQAP-MSOLQXFVSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000065245010 535521436 /nfs/dbraw/zinc/52/14/36/535521436.db2.gz PFZIMRSKCBKQAP-MSOLQXFVSA-N 2 2 388.560 2.506 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(OCC)cc2)C3)CC1 ZINC000015779569 570243806 /nfs/dbraw/zinc/24/38/06/570243806.db2.gz ZZYQTWBRMVHJII-UHFFFAOYSA-N 2 2 395.551 2.966 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OCC)cc2)C3)CC1 ZINC000015779569 570243809 /nfs/dbraw/zinc/24/38/09/570243809.db2.gz ZZYQTWBRMVHJII-UHFFFAOYSA-N 2 2 395.551 2.966 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cs1 ZINC000104473584 570259151 /nfs/dbraw/zinc/25/91/51/570259151.db2.gz NCULOWVFXIKVLA-HXUWFJFHSA-N 2 2 393.597 2.692 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cs1 ZINC000104473584 570259152 /nfs/dbraw/zinc/25/91/52/570259152.db2.gz NCULOWVFXIKVLA-HXUWFJFHSA-N 2 2 393.597 2.692 50 0 GFAALP Cc1ccc2nc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CCC[NH+](C)C)C3)cn2c1 ZINC000095372069 571061674 /nfs/dbraw/zinc/06/16/74/571061674.db2.gz IZLUJJCAGHGGTD-GOSISDBHSA-N 2 2 394.523 2.811 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)C[NH+](C)C)csc3C2)nc1 ZINC000426582718 529644984 /nfs/dbraw/zinc/64/49/84/529644984.db2.gz BSJLGDSSSQKZAB-HNNXBMFYSA-N 2 2 386.565 2.944 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)C[NH+](C)C)csc3C2)nc1 ZINC000426582718 529644987 /nfs/dbraw/zinc/64/49/87/529644987.db2.gz BSJLGDSSSQKZAB-HNNXBMFYSA-N 2 2 386.565 2.944 50 0 GFAALP COc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1OC ZINC000000809682 212183894 /nfs/dbraw/zinc/18/38/94/212183894.db2.gz SCBAGGNMECLOQD-UHFFFAOYSA-N 2 2 396.491 2.998 50 0 GFAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301374 221177912 /nfs/dbraw/zinc/17/79/12/221177912.db2.gz PARGLWGCCKKSMH-KRWDZBQOSA-N 2 2 378.480 2.765 50 0 GFAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301374 221177914 /nfs/dbraw/zinc/17/79/14/221177914.db2.gz PARGLWGCCKKSMH-KRWDZBQOSA-N 2 2 378.480 2.765 50 0 GFAALP CC[C@@H]1CN(C(=O)c2ccc(N(CC)Cc3[nH+]ccn3C)nc2)CC[N@@H+]1C(C)C ZINC000012313727 221179832 /nfs/dbraw/zinc/17/98/32/221179832.db2.gz QWSXOVXOBYJCOX-LJQANCHMSA-N 2 2 398.555 2.786 50 0 GFAALP CC[C@@H]1CN(C(=O)c2ccc(N(CC)Cc3[nH+]ccn3C)nc2)CC[N@H+]1C(C)C ZINC000012313727 221179834 /nfs/dbraw/zinc/17/98/34/221179834.db2.gz QWSXOVXOBYJCOX-LJQANCHMSA-N 2 2 398.555 2.786 50 0 GFAALP Cc1c(C)n(-c2cccc(C)n2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000013724658 221284598 /nfs/dbraw/zinc/28/45/98/221284598.db2.gz QMEWNPQKCRDEFY-UHFFFAOYSA-N 2 2 380.496 2.875 50 0 GFAALP CCOc1ccccc1N1CC[NH+](Cn2c3ccccc3[nH+]c2NCCO)CC1 ZINC000015981576 221353421 /nfs/dbraw/zinc/35/34/21/221353421.db2.gz RXWKAAYDLGZTJU-UHFFFAOYSA-N 2 2 395.507 2.619 50 0 GFAALP O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000064818103 136157915 /nfs/dbraw/zinc/15/79/15/136157915.db2.gz BXWBIPJPZKKKSU-UHFFFAOYSA-N 2 2 380.467 2.702 50 0 GFAALP O=C(C1=CC[N@@H+](Cc2cccc(F)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000064818103 136157916 /nfs/dbraw/zinc/15/79/16/136157916.db2.gz BXWBIPJPZKKKSU-UHFFFAOYSA-N 2 2 380.467 2.702 50 0 GFAALP CC[N@H+](Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1)Cc1ccccc1 ZINC000065311636 136163180 /nfs/dbraw/zinc/16/31/80/136163180.db2.gz VHLNNALIJKEYCJ-UHFFFAOYSA-N 2 2 393.539 2.597 50 0 GFAALP CC[N@@H+](Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1)Cc1ccccc1 ZINC000065311636 136163181 /nfs/dbraw/zinc/16/31/81/136163181.db2.gz VHLNNALIJKEYCJ-UHFFFAOYSA-N 2 2 393.539 2.597 50 0 GFAALP CCn1cc[nH+]c1[C@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000095517439 136180891 /nfs/dbraw/zinc/18/08/91/136180891.db2.gz MJFUSRCOWGYSAY-ZDUSSCGKSA-N 2 2 382.468 2.830 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)[nH+]cn1 ZINC000067612663 222152538 /nfs/dbraw/zinc/15/25/38/222152538.db2.gz VLSZVKFFJSPWOA-UHFFFAOYSA-N 2 2 376.464 2.550 50 0 GFAALP c1c(C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)nn2c1C[NH2+]CC2 ZINC000072151632 222212508 /nfs/dbraw/zinc/21/25/08/222212508.db2.gz SRHSHSHPUJAWMD-UHFFFAOYSA-N 2 2 376.508 2.680 50 0 GFAALP c1c(C[NH+]2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nn2c1C[NH2+]CC2 ZINC000072151632 222212510 /nfs/dbraw/zinc/21/25/10/222212510.db2.gz SRHSHSHPUJAWMD-UHFFFAOYSA-N 2 2 376.508 2.680 50 0 GFAALP COc1c[nH]c(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc1=O ZINC000095509261 222340099 /nfs/dbraw/zinc/34/00/99/222340099.db2.gz HWJRMWDPSXFKPL-QGZVFWFLSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc1=O ZINC000095509261 222340103 /nfs/dbraw/zinc/34/01/03/222340103.db2.gz HWJRMWDPSXFKPL-QGZVFWFLSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509261 222340106 /nfs/dbraw/zinc/34/01/06/222340106.db2.gz HWJRMWDPSXFKPL-QGZVFWFLSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509261 222340108 /nfs/dbraw/zinc/34/01/08/222340108.db2.gz HWJRMWDPSXFKPL-QGZVFWFLSA-N 2 2 387.499 2.909 50 0 GFAALP O[C@H](COc1cccc(C[NH+]2CCCCCCCC2)c1)C[NH+]1CCOCC1 ZINC000095521675 222347452 /nfs/dbraw/zinc/34/74/52/222347452.db2.gz MTZCMVMCKRXYGS-NRFANRHFSA-N 2 2 376.541 2.915 50 0 GFAALP C[N@H+](CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527533 222350198 /nfs/dbraw/zinc/35/01/98/222350198.db2.gz ZPZRCGBRCMHGRB-INIZCTEOSA-N 2 2 387.553 2.968 50 0 GFAALP C[N@@H+](CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527533 222350201 /nfs/dbraw/zinc/35/02/01/222350201.db2.gz ZPZRCGBRCMHGRB-INIZCTEOSA-N 2 2 387.553 2.968 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC[NH+]3CCCC3)csc2C1 ZINC000426662446 534361876 /nfs/dbraw/zinc/36/18/76/534361876.db2.gz QGUUKFNZBLZSOY-UHFFFAOYSA-N 2 2 388.537 2.737 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC[NH+]3CCCC3)csc2C1 ZINC000426662446 534361882 /nfs/dbraw/zinc/36/18/82/534361882.db2.gz QGUUKFNZBLZSOY-UHFFFAOYSA-N 2 2 388.537 2.737 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000065245126 535520651 /nfs/dbraw/zinc/52/06/51/535520651.db2.gz HDAVCEHAYSBFRG-GOSISDBHSA-N 2 2 388.560 2.507 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+]3CCCCC3)C2)[nH+]cn1 ZINC000065245126 535520655 /nfs/dbraw/zinc/52/06/55/535520655.db2.gz HDAVCEHAYSBFRG-GOSISDBHSA-N 2 2 388.560 2.507 50 0 GFAALP CC(=O)c1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104446179 570258785 /nfs/dbraw/zinc/25/87/85/570258785.db2.gz UIGARGGLIGTSFC-HSZRJFAPSA-N 2 2 387.568 2.631 50 0 GFAALP CC(=O)c1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104446179 570258786 /nfs/dbraw/zinc/25/87/86/570258786.db2.gz UIGARGGLIGTSFC-HSZRJFAPSA-N 2 2 387.568 2.631 50 0 GFAALP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022516305 570319265 /nfs/dbraw/zinc/31/92/65/570319265.db2.gz AEMITHKWPFZNCP-UHFFFAOYSA-N 2 2 376.460 2.635 50 0 GFAALP CC(C)n1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc2ccccc21 ZINC000248156197 570721399 /nfs/dbraw/zinc/72/13/99/570721399.db2.gz VSCIDKDMWJFHPB-UHFFFAOYSA-N 2 2 383.540 2.603 50 0 GFAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101373038 570820452 /nfs/dbraw/zinc/82/04/52/570820452.db2.gz PZWIVMWTVOODOK-UHFFFAOYSA-N 2 2 397.519 2.649 50 0 GFAALP C[C@@H](C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1)[NH+]1CCOCC1 ZINC000019229293 570965176 /nfs/dbraw/zinc/96/51/76/570965176.db2.gz LBAKMJMVOJYEKO-INIZCTEOSA-N 2 2 388.487 2.732 50 0 GFAALP Cc1c[nH+]ccc1N1CCCN(C(=O)Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000091965206 571037991 /nfs/dbraw/zinc/03/79/91/571037991.db2.gz NXAFGFBNRNKNPB-UHFFFAOYSA-N 2 2 375.476 2.992 50 0 GFAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095371897 571061824 /nfs/dbraw/zinc/06/18/24/571061824.db2.gz JTGMCQSKCDRFET-FUHWJXTLSA-N 2 2 380.492 2.792 50 0 GFAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095371897 571061827 /nfs/dbraw/zinc/06/18/27/571061827.db2.gz JTGMCQSKCDRFET-FUHWJXTLSA-N 2 2 380.492 2.792 50 0 GFAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)COc1ccccc1 ZINC000000847462 212189010 /nfs/dbraw/zinc/18/90/10/212189010.db2.gz YZVGXJBXRGLPRH-LJQANCHMSA-N 2 2 394.519 2.848 50 0 GFAALP COc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c1OC ZINC000000809681 212184464 /nfs/dbraw/zinc/18/44/64/212184464.db2.gz HXNOGRDINYYJLQ-UHFFFAOYSA-N 2 2 396.491 2.998 50 0 GFAALP COc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c(OC)c1 ZINC000000809678 212184304 /nfs/dbraw/zinc/18/43/04/212184304.db2.gz FITKLQSRDUUYBR-UHFFFAOYSA-N 2 2 396.491 2.998 50 0 GFAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2nccs2)cc1OC ZINC000011839324 221130862 /nfs/dbraw/zinc/13/08/62/221130862.db2.gz KPCKNVPZBCRJAA-QGZVFWFLSA-N 2 2 393.553 2.865 50 0 GFAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2nccs2)cc1OC ZINC000011839324 221130864 /nfs/dbraw/zinc/13/08/64/221130864.db2.gz KPCKNVPZBCRJAA-QGZVFWFLSA-N 2 2 393.553 2.865 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)C4CCCCC4)CC3)[nH+]c(C)n2)c1C ZINC000072437528 136170582 /nfs/dbraw/zinc/17/05/82/136170582.db2.gz GVWAHYBSCGHQQL-UHFFFAOYSA-N 2 2 382.512 2.816 50 0 GFAALP Cc1[nH+]c(N(C)C)nc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095500648 136180047 /nfs/dbraw/zinc/18/00/47/136180047.db2.gz FFNYCUBDGZJXRC-SFHVURJKSA-N 3 2 385.560 2.692 50 0 GFAALP CC(=O)NCc1ccc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)[nH+]c1 ZINC000095510693 136180793 /nfs/dbraw/zinc/18/07/93/136180793.db2.gz BBVGTUXOLWDPJE-UHFFFAOYSA-N 2 2 390.491 2.742 50 0 GFAALP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1 ZINC000097165408 136188273 /nfs/dbraw/zinc/18/82/73/136188273.db2.gz VKROAVVCWHPILJ-KRWDZBQOSA-N 2 2 388.537 2.524 50 0 GFAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(c4cccc(O)c4)CC3)c2cc1C ZINC000132833441 136192862 /nfs/dbraw/zinc/19/28/62/136192862.db2.gz VLVBKNDJBWOQJA-FQEVSTJZSA-N 2 2 380.492 2.542 50 0 GFAALP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000071761081 222194221 /nfs/dbraw/zinc/19/42/21/222194221.db2.gz ZUPSHFFVLQZLTI-SFHVURJKSA-N 2 2 389.588 2.905 50 0 GFAALP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000071761081 222194222 /nfs/dbraw/zinc/19/42/22/222194222.db2.gz ZUPSHFFVLQZLTI-SFHVURJKSA-N 2 2 389.588 2.905 50 0 GFAALP C[N@H+](CCc1ccccc1)C1(C(=O)NCCc2c[nH+]c[nH]2)Cc2ccccc2C1 ZINC000072172473 222216762 /nfs/dbraw/zinc/21/67/62/222216762.db2.gz BFCPTAJYORTSIQ-UHFFFAOYSA-N 2 2 388.515 2.781 50 0 GFAALP C[N@@H+](CCc1ccccc1)C1(C(=O)NCCc2c[nH+]c[nH]2)Cc2ccccc2C1 ZINC000072172473 222216766 /nfs/dbraw/zinc/21/67/66/222216766.db2.gz BFCPTAJYORTSIQ-UHFFFAOYSA-N 2 2 388.515 2.781 50 0 GFAALP C[N@H+](CCc1ccccc1)C1(C(=O)NCCc2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC000072172473 222216770 /nfs/dbraw/zinc/21/67/70/222216770.db2.gz BFCPTAJYORTSIQ-UHFFFAOYSA-N 2 2 388.515 2.781 50 0 GFAALP C[N@@H+](CCc1ccccc1)C1(C(=O)NCCc2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC000072172473 222216774 /nfs/dbraw/zinc/21/67/74/222216774.db2.gz BFCPTAJYORTSIQ-UHFFFAOYSA-N 2 2 388.515 2.781 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(F)cc3Cl)[nH+]cn2)c1C ZINC000072436949 222261470 /nfs/dbraw/zinc/26/14/70/222261470.db2.gz HKAHFPZZGMPVLX-UHFFFAOYSA-N 2 2 388.834 2.914 50 0 GFAALP COc1ccc(Cl)cc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089374768 222327027 /nfs/dbraw/zinc/32/70/27/222327027.db2.gz MAXFQJZGFDYLIU-DFNIBXOVSA-N 2 2 391.943 2.661 50 0 GFAALP COc1ccc(Cl)cc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089374768 222327031 /nfs/dbraw/zinc/32/70/31/222327031.db2.gz MAXFQJZGFDYLIU-DFNIBXOVSA-N 2 2 391.943 2.661 50 0 GFAALP COc1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c(O)c1 ZINC000095531584 222355134 /nfs/dbraw/zinc/35/51/34/222355134.db2.gz FUAMTZJWKPQRQS-UHFFFAOYSA-N 2 2 386.496 2.569 50 0 GFAALP Cc1cccc(-n2cc(C[NH+]3CCC(c4nnc(C[NH+](C)C)n4C)CC3)cn2)c1 ZINC000096138405 222386706 /nfs/dbraw/zinc/38/67/06/222386706.db2.gz KFDMYZXYIBDUOB-UHFFFAOYSA-N 2 2 393.539 2.750 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCn3cc[nH+]c3)csc2C1 ZINC000426479684 534360912 /nfs/dbraw/zinc/36/09/12/534360912.db2.gz HTXLXFLDWMMKBG-UHFFFAOYSA-N 2 2 385.493 2.538 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCn3cc[nH+]c3)csc2C1 ZINC000426479684 534360924 /nfs/dbraw/zinc/36/09/24/534360924.db2.gz HTXLXFLDWMMKBG-UHFFFAOYSA-N 2 2 385.493 2.538 50 0 GFAALP Cn1cc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000096879131 570232801 /nfs/dbraw/zinc/23/28/01/570232801.db2.gz ZQPAZOCTYRZLQJ-UHFFFAOYSA-N 3 2 396.583 2.624 50 0 GFAALP Cn1cc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000096879131 570232804 /nfs/dbraw/zinc/23/28/04/570232804.db2.gz ZQPAZOCTYRZLQJ-UHFFFAOYSA-N 3 2 396.583 2.624 50 0 GFAALP O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000247806541 570247151 /nfs/dbraw/zinc/24/71/51/570247151.db2.gz ZUTGZBUZGCQQJA-PMACEKPBSA-N 2 2 399.535 2.572 50 0 GFAALP O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000247806541 570247154 /nfs/dbraw/zinc/24/71/54/570247154.db2.gz ZUTGZBUZGCQQJA-PMACEKPBSA-N 2 2 399.535 2.572 50 0 GFAALP CCc1[nH+]c2ccccc2n1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020937943 570285376 /nfs/dbraw/zinc/28/53/76/570285376.db2.gz IFYUCJKBIMWRIG-UHFFFAOYSA-N 2 2 384.524 2.750 50 0 GFAALP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000128594206 570489099 /nfs/dbraw/zinc/48/90/99/570489099.db2.gz OWTWXGJTGRRLHT-UHFFFAOYSA-N 2 2 380.895 2.910 50 0 GFAALP FC(F)(F)c1ccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)nc1 ZINC000252492116 570974532 /nfs/dbraw/zinc/97/45/32/570974532.db2.gz MDEDNZUUOGHFAI-GOSISDBHSA-N 2 2 398.473 2.866 50 0 GFAALP C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091846068 571032617 /nfs/dbraw/zinc/03/26/17/571032617.db2.gz WFORZBVKODBNKU-GOSISDBHSA-N 2 2 381.524 2.764 50 0 GFAALP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000095370832 571060890 /nfs/dbraw/zinc/06/08/90/571060890.db2.gz STAOWWQBWYRCIQ-HXUWFJFHSA-N 2 2 377.504 2.613 50 0 GFAALP C[N@H+]1CCCCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000095370832 571060892 /nfs/dbraw/zinc/06/08/92/571060892.db2.gz STAOWWQBWYRCIQ-HXUWFJFHSA-N 2 2 377.504 2.613 50 0 GFAALP CCN(CC)C(=O)C[NH+]1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695790 221121835 /nfs/dbraw/zinc/12/18/35/221121835.db2.gz RTORQNDMKLFCQI-UHFFFAOYSA-N 2 2 375.904 2.516 50 0 GFAALP COc1cc(Cl)cc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccccc1 ZINC000013733298 221285576 /nfs/dbraw/zinc/28/55/76/221285576.db2.gz UBDYBQYCVHRLBF-UHFFFAOYSA-N 2 2 378.900 2.989 50 0 GFAALP COC(=O)c1ccccc1NC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000015775237 221344214 /nfs/dbraw/zinc/34/42/14/221344214.db2.gz PKOPOYXOHNBYEC-UHFFFAOYSA-N 2 2 381.476 2.666 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)[nH+]cn1 ZINC000067604641 222150397 /nfs/dbraw/zinc/15/03/97/222150397.db2.gz LKFHEOGBCPKKSX-UHFFFAOYSA-N 2 2 376.464 2.550 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]cn1 ZINC000067622981 222151968 /nfs/dbraw/zinc/15/19/68/222151968.db2.gz LUBKRFWIWODKDM-UHFFFAOYSA-N 2 2 382.855 2.587 50 0 GFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000071763672 222195770 /nfs/dbraw/zinc/19/57/70/222195770.db2.gz RBYZYDRFIYAZRV-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000071763672 222195772 /nfs/dbraw/zinc/19/57/72/222195772.db2.gz RBYZYDRFIYAZRV-IBGZPJMESA-N 2 2 382.508 2.667 50 0 GFAALP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000095962938 222365824 /nfs/dbraw/zinc/36/58/24/222365824.db2.gz RWSHTNPTMUUJOH-GFCCVEGCSA-N 2 2 378.860 2.898 50 0 GFAALP COc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000095962938 222365827 /nfs/dbraw/zinc/36/58/27/222365827.db2.gz RWSHTNPTMUUJOH-GFCCVEGCSA-N 2 2 378.860 2.898 50 0 GFAALP CCOC(=O)CC[NH+]1CCC([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000095986444 222369266 /nfs/dbraw/zinc/36/92/66/222369266.db2.gz UKUMUUJJRZSPIZ-UHFFFAOYSA-N 2 2 397.560 2.783 50 0 GFAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3nccn3C(C)C)CC2)n1C ZINC000096179747 222394722 /nfs/dbraw/zinc/39/47/22/222394722.db2.gz XXMBKZWYEWEGCQ-UHFFFAOYSA-N 2 2 382.516 2.525 50 0 GFAALP Cc1ccc(-c2cccc(C(=O)N3CCC[N@@H+](C)C4(CC[NH2+]CC4)C3)c2)cn1 ZINC000426689874 534187163 /nfs/dbraw/zinc/18/71/63/534187163.db2.gz NXOIXJSEWMPMRH-UHFFFAOYSA-N 2 2 378.520 2.957 50 0 GFAALP Cc1ccc(-c2cccc(C(=O)N3CCC[N@H+](C)C4(CC[NH2+]CC4)C3)c2)cn1 ZINC000426689874 534187168 /nfs/dbraw/zinc/18/71/68/534187168.db2.gz NXOIXJSEWMPMRH-UHFFFAOYSA-N 2 2 378.520 2.957 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)csc2C1 ZINC000426401602 534361238 /nfs/dbraw/zinc/36/12/38/534361238.db2.gz CHQZUMSAPACPKD-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)csc2C1 ZINC000426401602 534361251 /nfs/dbraw/zinc/36/12/51/534361251.db2.gz CHQZUMSAPACPKD-HNNXBMFYSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCC[NH+](C)C)csc2C1 ZINC000426370528 534362541 /nfs/dbraw/zinc/36/25/41/534362541.db2.gz QWHVJAXTSVHLKR-UHFFFAOYSA-N 2 2 376.526 2.593 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCC[NH+](C)C)csc2C1 ZINC000426370528 534362548 /nfs/dbraw/zinc/36/25/48/534362548.db2.gz QWHVJAXTSVHLKR-UHFFFAOYSA-N 2 2 376.526 2.593 50 0 GFAALP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000167078595 551632876 /nfs/dbraw/zinc/63/28/76/551632876.db2.gz JIQYLUJAPCZVLK-SJORKVTESA-N 2 2 385.599 2.706 50 0 GFAALP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000167078595 551632878 /nfs/dbraw/zinc/63/28/78/551632878.db2.gz JIQYLUJAPCZVLK-SJORKVTESA-N 2 2 385.599 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104841411 570260658 /nfs/dbraw/zinc/26/06/58/570260658.db2.gz BNIMRXBFSNUKOA-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104841411 570260662 /nfs/dbraw/zinc/26/06/62/570260662.db2.gz BNIMRXBFSNUKOA-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104841411 570260664 /nfs/dbraw/zinc/26/06/64/570260664.db2.gz BNIMRXBFSNUKOA-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104841411 570260666 /nfs/dbraw/zinc/26/06/66/570260666.db2.gz BNIMRXBFSNUKOA-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020573720 570268896 /nfs/dbraw/zinc/26/88/96/570268896.db2.gz GBCAUFYPLKKCCG-UHFFFAOYSA-N 2 2 380.496 2.626 50 0 GFAALP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000028875408 570465187 /nfs/dbraw/zinc/46/51/87/570465187.db2.gz QAHOKDIDAUHBSY-CALCHBBNSA-N 2 2 378.476 2.874 50 0 GFAALP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000028875408 570465194 /nfs/dbraw/zinc/46/51/94/570465194.db2.gz QAHOKDIDAUHBSY-CALCHBBNSA-N 2 2 378.476 2.874 50 0 GFAALP CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c[nH+]1 ZINC000252508261 570477201 /nfs/dbraw/zinc/47/72/01/570477201.db2.gz XIMZYRJAMIFUED-INIZCTEOSA-N 2 2 382.512 2.715 50 0 GFAALP NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000223797912 570485213 /nfs/dbraw/zinc/48/52/13/570485213.db2.gz HEFQWIUCYCMLMJ-OAHLLOKOSA-N 2 2 376.888 2.703 50 0 GFAALP NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000223797912 570485215 /nfs/dbraw/zinc/48/52/15/570485215.db2.gz HEFQWIUCYCMLMJ-OAHLLOKOSA-N 2 2 376.888 2.703 50 0 GFAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1cccc(Cl)c1 ZINC000040720277 570604484 /nfs/dbraw/zinc/60/44/84/570604484.db2.gz MMNBLZAGXVJBJW-UHFFFAOYSA-N 2 2 378.900 2.989 50 0 GFAALP O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000019300666 570974050 /nfs/dbraw/zinc/97/40/50/570974050.db2.gz FQOWYEFMLIEEMZ-SFHVURJKSA-N 2 2 385.533 2.623 50 0 GFAALP OC[C@H]1C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]1C[NH+]1CCCCCC1 ZINC000091427267 571007769 /nfs/dbraw/zinc/00/77/69/571007769.db2.gz WGOHJYRFWUDLRJ-IAGOWNOFSA-N 2 2 380.916 2.985 50 0 GFAALP OC[C@H]1C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]1C[NH+]1CCCCCC1 ZINC000091427267 571007772 /nfs/dbraw/zinc/00/77/72/571007772.db2.gz WGOHJYRFWUDLRJ-IAGOWNOFSA-N 2 2 380.916 2.985 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091435225 571007948 /nfs/dbraw/zinc/00/79/48/571007948.db2.gz FQFPKBKIJNEJPN-JOCHJYFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091435225 571007952 /nfs/dbraw/zinc/00/79/52/571007952.db2.gz FQFPKBKIJNEJPN-JOCHJYFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091435225 571007955 /nfs/dbraw/zinc/00/79/55/571007955.db2.gz FQFPKBKIJNEJPN-JOCHJYFZSA-N 2 2 396.491 2.586 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091435225 571007960 /nfs/dbraw/zinc/00/79/60/571007960.db2.gz FQFPKBKIJNEJPN-JOCHJYFZSA-N 2 2 396.491 2.586 50 0 GFAALP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000084706259 571032241 /nfs/dbraw/zinc/03/22/41/571032241.db2.gz KNXFKNMYFLEONC-BETUJISGSA-N 2 2 385.302 2.767 50 0 GFAALP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000084706259 571032243 /nfs/dbraw/zinc/03/22/43/571032243.db2.gz KNXFKNMYFLEONC-BETUJISGSA-N 2 2 385.302 2.767 50 0 GFAALP CN(C)c1cccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c1 ZINC000095357040 571052991 /nfs/dbraw/zinc/05/29/91/571052991.db2.gz GGIKQCOOFCTBPJ-UHFFFAOYSA-N 2 2 383.540 2.921 50 0 GFAALP CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095370440 571060924 /nfs/dbraw/zinc/06/09/24/571060924.db2.gz DWZAYABGMAZJHT-SFHVURJKSA-N 2 2 380.496 2.838 50 0 GFAALP CCOc1ccccc1C[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095370440 571060925 /nfs/dbraw/zinc/06/09/25/571060925.db2.gz DWZAYABGMAZJHT-SFHVURJKSA-N 2 2 380.496 2.838 50 0 GFAALP O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007880349 221014501 /nfs/dbraw/zinc/01/45/01/221014501.db2.gz FSWKWKZNJCTPIR-OAQYLSRUSA-N 2 2 382.533 2.801 50 0 GFAALP O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007880349 221014503 /nfs/dbraw/zinc/01/45/03/221014503.db2.gz FSWKWKZNJCTPIR-OAQYLSRUSA-N 2 2 382.533 2.801 50 0 GFAALP CC[NH+]1CCC([N@@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000011934518 221139498 /nfs/dbraw/zinc/13/94/98/221139498.db2.gz KYZDFLUAHFOMJD-RBUKOAKNSA-N 2 2 377.916 2.872 50 0 GFAALP CC[NH+]1CCC([N@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000011934518 221139500 /nfs/dbraw/zinc/13/95/00/221139500.db2.gz KYZDFLUAHFOMJD-RBUKOAKNSA-N 2 2 377.916 2.872 50 0 GFAALP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000012300091 221177146 /nfs/dbraw/zinc/17/71/46/221177146.db2.gz HDWGPXCNHWHXMA-UHFFFAOYSA-N 2 2 386.521 2.819 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000012206934 221167616 /nfs/dbraw/zinc/16/76/16/221167616.db2.gz QLIGSTKVJZSKMJ-SFHVURJKSA-N 3 2 383.540 2.535 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000012206934 221167617 /nfs/dbraw/zinc/16/76/17/221167617.db2.gz QLIGSTKVJZSKMJ-SFHVURJKSA-N 3 2 383.540 2.535 50 0 GFAALP O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015444005 221336483 /nfs/dbraw/zinc/33/64/83/221336483.db2.gz CPYCANSMVKFZGL-MRXNPFEDSA-N 2 2 385.430 2.732 50 0 GFAALP O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015444005 221336484 /nfs/dbraw/zinc/33/64/84/221336484.db2.gz CPYCANSMVKFZGL-MRXNPFEDSA-N 2 2 385.430 2.732 50 0 GFAALP Cc1c[nH+]c(N2CCC[C@@H](c3cc(N4CCCC4)nc(C)[nH+]3)C2)nc1N(C)C ZINC000072439771 136170513 /nfs/dbraw/zinc/17/05/13/136170513.db2.gz MXJLAQYEOAQBDK-QGZVFWFLSA-N 2 2 381.528 2.934 50 0 GFAALP CCCc1nc(N2CCC([NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc(C)[nH+]1 ZINC000095520478 136181168 /nfs/dbraw/zinc/18/11/68/136181168.db2.gz YBLDJEDFFQCFIY-UHFFFAOYSA-N 2 2 380.496 2.666 50 0 GFAALP CC(=O)N[C@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)C1 ZINC000096135921 136184212 /nfs/dbraw/zinc/18/42/12/136184212.db2.gz HGRBGNUDHNWVBE-IBGZPJMESA-N 2 2 379.508 2.631 50 0 GFAALP CC(=O)N[C@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)C1 ZINC000096135921 136184213 /nfs/dbraw/zinc/18/42/13/136184213.db2.gz HGRBGNUDHNWVBE-IBGZPJMESA-N 2 2 379.508 2.631 50 0 GFAALP Cc1cc(N2CCC([N@H+]3CCC(=O)N(C)CC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096140910 136184249 /nfs/dbraw/zinc/18/42/49/136184249.db2.gz JCWVKJVQSWMDFS-UHFFFAOYSA-N 2 2 379.508 2.585 50 0 GFAALP Cc1cc(N2CCC([N@@H+]3CCC(=O)N(C)CC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096140910 136184250 /nfs/dbraw/zinc/18/42/50/136184250.db2.gz JCWVKJVQSWMDFS-UHFFFAOYSA-N 2 2 379.508 2.585 50 0 GFAALP C[NH+](C)Cc1cncc(Oc2ccc(C[NH+]3CCOCC3)c3cccnc23)n1 ZINC000067785269 222159259 /nfs/dbraw/zinc/15/92/59/222159259.db2.gz VXNGQXBBJNXUCV-UHFFFAOYSA-N 2 2 379.464 2.711 50 0 GFAALP O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071662844 222184993 /nfs/dbraw/zinc/18/49/93/222184993.db2.gz AGYDRGNITTZJFO-HXUWFJFHSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071662844 222184998 /nfs/dbraw/zinc/18/49/98/222184998.db2.gz AGYDRGNITTZJFO-HXUWFJFHSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071736189 222187800 /nfs/dbraw/zinc/18/78/00/222187800.db2.gz HXRRIPPUOGGUJJ-FQEVSTJZSA-N 2 2 396.535 2.710 50 0 GFAALP O=C(NCCc1ccco1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071736189 222187803 /nfs/dbraw/zinc/18/78/03/222187803.db2.gz HXRRIPPUOGGUJJ-FQEVSTJZSA-N 2 2 396.535 2.710 50 0 GFAALP [NH3+][C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1)c1ccccc1 ZINC000095499243 222334995 /nfs/dbraw/zinc/33/49/95/222334995.db2.gz AALQUVXVNPNPGJ-HXUWFJFHSA-N 2 2 375.476 2.732 50 0 GFAALP [NH3+][C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)C1CCCCC1 ZINC000095512117 222342746 /nfs/dbraw/zinc/34/27/46/222342746.db2.gz WIZFHNOXZQNTQY-FQEVSTJZSA-N 2 2 381.524 2.940 50 0 GFAALP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082160471 222312796 /nfs/dbraw/zinc/31/27/96/222312796.db2.gz MFLXORUTNLEXEU-UHFFFAOYSA-N 2 2 387.572 2.627 50 0 GFAALP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082160471 222312801 /nfs/dbraw/zinc/31/28/01/222312801.db2.gz MFLXORUTNLEXEU-UHFFFAOYSA-N 2 2 387.572 2.627 50 0 GFAALP C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096007198 222371229 /nfs/dbraw/zinc/37/12/29/222371229.db2.gz CLEUNMAFXPTLEO-MRXNPFEDSA-N 2 2 384.505 2.973 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012875 222371414 /nfs/dbraw/zinc/37/14/14/222371414.db2.gz WPTQKTNCUOCAHO-SFHVURJKSA-N 2 2 378.520 2.877 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012875 222371419 /nfs/dbraw/zinc/37/14/19/222371419.db2.gz WPTQKTNCUOCAHO-SFHVURJKSA-N 2 2 378.520 2.877 50 0 GFAALP CCn1nc(C)c(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)c1C ZINC000096180627 222397373 /nfs/dbraw/zinc/39/73/73/222397373.db2.gz VZXLCXRUPSUWBG-UHFFFAOYSA-N 2 2 385.560 2.624 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000065245011 535521053 /nfs/dbraw/zinc/52/10/53/535521053.db2.gz PFZIMRSKCBKQAP-ROUUACIJSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000065245011 535521057 /nfs/dbraw/zinc/52/10/57/535521057.db2.gz PFZIMRSKCBKQAP-ROUUACIJSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000065245011 535521065 /nfs/dbraw/zinc/52/10/65/535521065.db2.gz PFZIMRSKCBKQAP-ROUUACIJSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000065245011 535521069 /nfs/dbraw/zinc/52/10/69/535521069.db2.gz PFZIMRSKCBKQAP-ROUUACIJSA-N 2 2 388.560 2.506 50 0 GFAALP C[NH+]1CCC([N@@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000106954485 536340396 /nfs/dbraw/zinc/34/03/96/536340396.db2.gz DGADDJFGFBAAIX-LJQANCHMSA-N 2 2 388.943 2.855 50 0 GFAALP C[NH+]1CCC([N@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000106954485 536340398 /nfs/dbraw/zinc/34/03/98/536340398.db2.gz DGADDJFGFBAAIX-LJQANCHMSA-N 2 2 388.943 2.855 50 0 GFAALP Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)NCCc3c[nH+]c[nH]3)s2)cn1 ZINC000020168616 570245692 /nfs/dbraw/zinc/24/56/92/570245692.db2.gz WSMZAOMPCRAUFD-INIZCTEOSA-N 2 2 384.509 2.514 50 0 GFAALP Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)NCCc3c[nH+]c[nH]3)s2)cn1 ZINC000020168616 570245695 /nfs/dbraw/zinc/24/56/95/570245695.db2.gz WSMZAOMPCRAUFD-INIZCTEOSA-N 2 2 384.509 2.514 50 0 GFAALP CC[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000020205088 570247761 /nfs/dbraw/zinc/24/77/61/570247761.db2.gz LGEYDECYSFREKB-UHFFFAOYSA-N 2 2 389.931 2.992 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)CC1 ZINC000020543066 570267128 /nfs/dbraw/zinc/26/71/28/570267128.db2.gz RKHRELRYMJGRHN-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)CC1 ZINC000020543066 570267129 /nfs/dbraw/zinc/26/71/29/570267129.db2.gz RKHRELRYMJGRHN-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CCO)CC1 ZINC000020543066 570267133 /nfs/dbraw/zinc/26/71/33/570267133.db2.gz RKHRELRYMJGRHN-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CCO)CC1 ZINC000020543066 570267138 /nfs/dbraw/zinc/26/71/38/570267138.db2.gz RKHRELRYMJGRHN-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP C[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039347 570346524 /nfs/dbraw/zinc/34/65/24/570346524.db2.gz UCFYNFWBINJHGX-GOSISDBHSA-N 2 2 384.524 2.817 50 0 GFAALP C[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039347 570346529 /nfs/dbraw/zinc/34/65/29/570346529.db2.gz UCFYNFWBINJHGX-GOSISDBHSA-N 2 2 384.524 2.817 50 0 GFAALP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000225430778 570573418 /nfs/dbraw/zinc/57/34/18/570573418.db2.gz RMJMDKNYIRBSRG-SFHVURJKSA-N 2 2 396.491 2.742 50 0 GFAALP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000225430778 570573421 /nfs/dbraw/zinc/57/34/21/570573421.db2.gz RMJMDKNYIRBSRG-SFHVURJKSA-N 2 2 396.491 2.742 50 0 GFAALP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084640356 571028646 /nfs/dbraw/zinc/02/86/46/571028646.db2.gz RJVOQGMGTOYNBQ-DYVFJYSZSA-N 2 2 388.339 2.775 50 0 GFAALP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820688 204356612 /nfs/dbraw/zinc/35/66/12/204356612.db2.gz ZOLCHBVKWRICFM-JOCHJYFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820688 204356615 /nfs/dbraw/zinc/35/66/15/204356615.db2.gz ZOLCHBVKWRICFM-JOCHJYFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820688 204356620 /nfs/dbraw/zinc/35/66/20/204356620.db2.gz ZOLCHBVKWRICFM-JOCHJYFZSA-N 2 2 380.536 2.727 50 0 GFAALP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820688 204356623 /nfs/dbraw/zinc/35/66/23/204356623.db2.gz ZOLCHBVKWRICFM-JOCHJYFZSA-N 2 2 380.536 2.727 50 0 GFAALP CCc1[nH]c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000011933602 204361671 /nfs/dbraw/zinc/36/16/71/204361671.db2.gz FSBKWQBSAQYLKV-GOSISDBHSA-N 3 2 389.588 2.825 50 0 GFAALP CCc1[nH]c(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000011933602 204361675 /nfs/dbraw/zinc/36/16/75/204361675.db2.gz FSBKWQBSAQYLKV-GOSISDBHSA-N 3 2 389.588 2.825 50 0 GFAALP CC[C@H]1CN(C(=O)c2ccc(N(CC)Cc3[nH+]ccn3C)nc2)CC[N@@H+]1C(C)C ZINC000012313728 204395947 /nfs/dbraw/zinc/39/59/47/204395947.db2.gz QWSXOVXOBYJCOX-IBGZPJMESA-N 2 2 398.555 2.786 50 0 GFAALP CC[C@H]1CN(C(=O)c2ccc(N(CC)Cc3[nH+]ccn3C)nc2)CC[N@H+]1C(C)C ZINC000012313728 204395950 /nfs/dbraw/zinc/39/59/50/204395950.db2.gz QWSXOVXOBYJCOX-IBGZPJMESA-N 2 2 398.555 2.786 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000067541803 205248948 /nfs/dbraw/zinc/24/89/48/205248948.db2.gz MKNPVZPAAGMLNE-GOSISDBHSA-N 2 2 393.959 2.779 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000067541803 205248952 /nfs/dbraw/zinc/24/89/52/205248952.db2.gz MKNPVZPAAGMLNE-GOSISDBHSA-N 2 2 393.959 2.779 50 0 GFAALP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764799 205294948 /nfs/dbraw/zinc/29/49/48/205294948.db2.gz HENSLMWPCSPDCQ-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764799 205294952 /nfs/dbraw/zinc/29/49/52/205294952.db2.gz HENSLMWPCSPDCQ-FQEVSTJZSA-N 2 2 385.552 2.994 50 0 GFAALP CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c(CC)[nH+]c2C)C[C@H]1CCO ZINC000076863349 205357037 /nfs/dbraw/zinc/35/70/37/205357037.db2.gz SLDHKSVEPHPATE-LJQANCHMSA-N 2 2 386.540 2.748 50 0 GFAALP CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c(CC)[nH+]c2C)C[C@H]1CCO ZINC000076863349 205357041 /nfs/dbraw/zinc/35/70/41/205357041.db2.gz SLDHKSVEPHPATE-LJQANCHMSA-N 2 2 386.540 2.748 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082116218 205387731 /nfs/dbraw/zinc/38/77/31/205387731.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082116218 205387735 /nfs/dbraw/zinc/38/77/35/205387735.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082116218 205387739 /nfs/dbraw/zinc/38/77/39/205387739.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082116218 205387741 /nfs/dbraw/zinc/38/77/41/205387741.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 2 2 394.610 2.505 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000023359133 570356072 /nfs/dbraw/zinc/35/60/72/570356072.db2.gz ZGYMLCPHDOXHEO-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000023359133 570356075 /nfs/dbraw/zinc/35/60/75/570356075.db2.gz ZGYMLCPHDOXHEO-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000023359133 570356078 /nfs/dbraw/zinc/35/60/78/570356078.db2.gz ZGYMLCPHDOXHEO-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000023359133 570356082 /nfs/dbraw/zinc/35/60/82/570356082.db2.gz ZGYMLCPHDOXHEO-IBGZPJMESA-N 2 2 381.511 2.706 50 0 GFAALP O=C(C1CC[NH+](C2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)N1CCOCC1 ZINC000012570622 570680771 /nfs/dbraw/zinc/68/07/71/570680771.db2.gz QCRCKRKBQSEJMS-QPJJXVBHSA-N 2 2 397.563 2.735 50 0 GFAALP Cc1nc(C[C@H]2CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616841 570874159 /nfs/dbraw/zinc/87/41/59/570874159.db2.gz INPCZXPBOHDWBT-NHCUHLMSSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616841 570874162 /nfs/dbraw/zinc/87/41/62/570874162.db2.gz INPCZXPBOHDWBT-NHCUHLMSSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616841 570874165 /nfs/dbraw/zinc/87/41/65/570874165.db2.gz INPCZXPBOHDWBT-NHCUHLMSSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616841 570874169 /nfs/dbraw/zinc/87/41/69/570874169.db2.gz INPCZXPBOHDWBT-NHCUHLMSSA-N 2 2 384.524 2.924 50 0 GFAALP CCn1nc(C)c(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)c1C ZINC000091680544 571026055 /nfs/dbraw/zinc/02/60/55/571026055.db2.gz RMINNFOVJOORTC-UHFFFAOYSA-N 2 2 398.555 2.690 50 0 GFAALP CCn1nc(C)c(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c1C ZINC000091680544 571026058 /nfs/dbraw/zinc/02/60/58/571026058.db2.gz RMINNFOVJOORTC-UHFFFAOYSA-N 2 2 398.555 2.690 50 0 GFAALP C[NH2+][C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000095510806 571081998 /nfs/dbraw/zinc/08/19/98/571081998.db2.gz MXRRDHHHXQGXEU-NRFANRHFSA-N 2 2 389.503 2.993 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H]([NH3+])C4)csc3C2)nc1 ZINC000426433648 529643460 /nfs/dbraw/zinc/64/34/60/529643460.db2.gz LRFYGYIQABMQAZ-INIZCTEOSA-N 2 2 384.549 2.827 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H]([NH3+])C4)csc3C2)nc1 ZINC000426433648 529643463 /nfs/dbraw/zinc/64/34/63/529643463.db2.gz LRFYGYIQABMQAZ-INIZCTEOSA-N 2 2 384.549 2.827 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)n3cccc3)CC2)c1 ZINC000063848752 205187999 /nfs/dbraw/zinc/18/79/99/205187999.db2.gz FAXYUJUDOWNXPN-OAQYLSRUSA-N 2 2 377.492 2.648 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)n3cccc3)CC2)c1 ZINC000063848752 205188004 /nfs/dbraw/zinc/18/80/04/205188004.db2.gz FAXYUJUDOWNXPN-OAQYLSRUSA-N 2 2 377.492 2.648 50 0 GFAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCC3)CC2)nc[nH+]1 ZINC000065274266 205226099 /nfs/dbraw/zinc/22/60/99/205226099.db2.gz KIJCBZYMVZMIHP-UHFFFAOYSA-N 2 2 388.560 2.507 50 0 GFAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCC3)CC2)[nH+]cn1 ZINC000065274266 205226105 /nfs/dbraw/zinc/22/61/05/205226105.db2.gz KIJCBZYMVZMIHP-UHFFFAOYSA-N 2 2 388.560 2.507 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC000067739396 205257415 /nfs/dbraw/zinc/25/74/15/205257415.db2.gz MCYNVDXPQWFYJZ-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC000067739396 205257420 /nfs/dbraw/zinc/25/74/20/205257420.db2.gz MCYNVDXPQWFYJZ-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP CSc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(N)[nH+]1 ZINC000091770226 136177011 /nfs/dbraw/zinc/17/70/11/136177011.db2.gz TYOWOWVQGDLBTC-OAHLLOKOSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]1 ZINC000091770226 136177012 /nfs/dbraw/zinc/17/70/12/136177012.db2.gz TYOWOWVQGDLBTC-OAHLLOKOSA-N 2 2 381.509 2.805 50 0 GFAALP C[C@H](Cn1cc[nH+]c1)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072475713 222264981 /nfs/dbraw/zinc/26/49/81/222264981.db2.gz VVDKSXQFKXJCTG-GOSISDBHSA-N 2 2 384.480 2.637 50 0 GFAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](CCn1c3ccccc3oc1=O)CC2 ZINC000096163261 570217171 /nfs/dbraw/zinc/21/71/71/570217171.db2.gz BTOIMKMMJOMQMH-UHFFFAOYSA-N 2 2 395.507 2.577 50 0 GFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc3c(c2)OCO3)c1=[NH2+] ZINC000000780169 570222683 /nfs/dbraw/zinc/22/26/83/570222683.db2.gz LUISFFOEAJFISL-IBGZPJMESA-N 2 2 396.491 2.726 50 0 GFAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000022075365 570305349 /nfs/dbraw/zinc/30/53/49/570305349.db2.gz HNQIGQARIHSSLE-UHFFFAOYSA-N 2 2 378.900 2.989 50 0 GFAALP C[N@H+](Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1)Cc1ccccc1 ZINC000015068280 570876052 /nfs/dbraw/zinc/87/60/52/570876052.db2.gz CXTYCBUBHGWBTM-UHFFFAOYSA-N 2 2 391.475 2.664 50 0 GFAALP C[N@@H+](Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1)Cc1ccccc1 ZINC000015068280 570876056 /nfs/dbraw/zinc/87/60/56/570876056.db2.gz CXTYCBUBHGWBTM-UHFFFAOYSA-N 2 2 391.475 2.664 50 0 GFAALP C[NH+]1CCC(N2CC[N@H+](C/C(Cl)=C/c3ccccc3)C[C@@H]2CCO)CC1 ZINC000019226971 570964154 /nfs/dbraw/zinc/96/41/54/570964154.db2.gz WGZAFJFJUYKEML-SACXWWFQSA-N 2 2 377.960 2.729 50 0 GFAALP C[NH+]1CCC(N2CC[N@@H+](C/C(Cl)=C/c3ccccc3)C[C@@H]2CCO)CC1 ZINC000019226971 570964157 /nfs/dbraw/zinc/96/41/57/570964157.db2.gz WGZAFJFJUYKEML-SACXWWFQSA-N 2 2 377.960 2.729 50 0 GFAALP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091746401 571028790 /nfs/dbraw/zinc/02/87/90/571028790.db2.gz ICABMKDQUSJDND-REWPJTCUSA-N 2 2 382.504 2.821 50 0 GFAALP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091746401 571028791 /nfs/dbraw/zinc/02/87/91/571028791.db2.gz ICABMKDQUSJDND-REWPJTCUSA-N 2 2 382.504 2.821 50 0 GFAALP CC(C)(C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1)[NH+]1CCCC1 ZINC000095499421 571075317 /nfs/dbraw/zinc/07/53/17/571075317.db2.gz HYYMXNWQNWFCPM-INIZCTEOSA-N 2 2 387.553 2.968 50 0 GFAALP COc1c[nH]c(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc1=O ZINC000095509260 571080716 /nfs/dbraw/zinc/08/07/16/571080716.db2.gz HWJRMWDPSXFKPL-KRWDZBQOSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc1=O ZINC000095509260 571080717 /nfs/dbraw/zinc/08/07/17/571080717.db2.gz HWJRMWDPSXFKPL-KRWDZBQOSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509260 571080718 /nfs/dbraw/zinc/08/07/18/571080718.db2.gz HWJRMWDPSXFKPL-KRWDZBQOSA-N 2 2 387.499 2.909 50 0 GFAALP COc1c[nH]c(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509260 571080719 /nfs/dbraw/zinc/08/07/19/571080719.db2.gz HWJRMWDPSXFKPL-KRWDZBQOSA-N 2 2 387.499 2.909 50 0 GFAALP Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)c1 ZINC000426414729 231217380 /nfs/dbraw/zinc/21/73/80/231217380.db2.gz RUAORBROUMQXEY-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)c1 ZINC000426414729 231217382 /nfs/dbraw/zinc/21/73/82/231217382.db2.gz RUAORBROUMQXEY-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(F)c3)CC2)C1 ZINC000067854894 205263930 /nfs/dbraw/zinc/26/39/30/205263930.db2.gz DGEVNJXOGOVICY-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(F)c3)CC2)C1 ZINC000067854894 205263934 /nfs/dbraw/zinc/26/39/34/205263934.db2.gz DGEVNJXOGOVICY-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000071315694 205281271 /nfs/dbraw/zinc/28/12/71/205281271.db2.gz JSHKLMVZHCMRNV-LJQANCHMSA-N 2 2 399.535 2.872 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000071315694 205281275 /nfs/dbraw/zinc/28/12/75/205281275.db2.gz JSHKLMVZHCMRNV-LJQANCHMSA-N 2 2 399.535 2.872 50 0 GFAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)c(C)[nH+]1 ZINC000071749544 205288768 /nfs/dbraw/zinc/28/87/68/205288768.db2.gz GRWDLCCEPCTCFK-ROUUACIJSA-N 2 2 378.480 2.750 50 0 GFAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)c(C)[nH+]1 ZINC000071749544 205288771 /nfs/dbraw/zinc/28/87/71/205288771.db2.gz GRWDLCCEPCTCFK-ROUUACIJSA-N 2 2 378.480 2.750 50 0 GFAALP C[N@H+](CCc1ccccc1)C1(C(=O)NCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000072161552 205312128 /nfs/dbraw/zinc/31/21/28/205312128.db2.gz ZRNHCSSJAMKZQP-UHFFFAOYSA-N 2 2 388.515 2.711 50 0 GFAALP C[N@@H+](CCc1ccccc1)C1(C(=O)NCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000072161552 205312132 /nfs/dbraw/zinc/31/21/32/205312132.db2.gz ZRNHCSSJAMKZQP-UHFFFAOYSA-N 2 2 388.515 2.711 50 0 GFAALP C[C@H]1CN(C(=O)C2([NH+](C)CCc3ccccc3)Cc3ccccc3C2)CC[N@@H+]1C ZINC000072171233 205314824 /nfs/dbraw/zinc/31/48/24/205314824.db2.gz GGNCPIPLLDZMTL-FQEVSTJZSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@H]1CN(C(=O)C2([NH+](C)CCc3ccccc3)Cc3ccccc3C2)CC[N@H+]1C ZINC000072171233 205314827 /nfs/dbraw/zinc/31/48/27/205314827.db2.gz GGNCPIPLLDZMTL-FQEVSTJZSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH+]1C ZINC000072171233 205314831 /nfs/dbraw/zinc/31/48/31/205314831.db2.gz GGNCPIPLLDZMTL-FQEVSTJZSA-N 2 2 391.559 2.861 50 0 GFAALP C[C@H]1CN(C(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH+]1C ZINC000072171233 205314832 /nfs/dbraw/zinc/31/48/32/205314832.db2.gz GGNCPIPLLDZMTL-FQEVSTJZSA-N 2 2 391.559 2.861 50 0 GFAALP COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000064818000 136157864 /nfs/dbraw/zinc/15/78/64/136157864.db2.gz QLCUOUJDVVSEBQ-UHFFFAOYSA-N 2 2 392.503 2.571 50 0 GFAALP COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000064818000 136157865 /nfs/dbraw/zinc/15/78/65/136157865.db2.gz QLCUOUJDVVSEBQ-UHFFFAOYSA-N 2 2 392.503 2.571 50 0 GFAALP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000065362880 136163552 /nfs/dbraw/zinc/16/35/52/136163552.db2.gz VOYRZMCEEUUMGR-UHFFFAOYSA-N 2 2 394.519 2.523 50 0 GFAALP Cc1nc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc(C(C)C)[nH+]1 ZINC000091518863 136176468 /nfs/dbraw/zinc/17/64/68/136176468.db2.gz KTRQEVZUUCPYOO-QFIPXVFZSA-N 2 2 385.556 2.822 50 0 GFAALP Cc1nc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc(C(C)C)[nH+]1 ZINC000091518863 136176469 /nfs/dbraw/zinc/17/64/69/136176469.db2.gz KTRQEVZUUCPYOO-QFIPXVFZSA-N 2 2 385.556 2.822 50 0 GFAALP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000426395112 534658377 /nfs/dbraw/zinc/65/83/77/534658377.db2.gz CCJMHRDHGCKAHZ-UHFFFAOYSA-N 2 2 382.508 2.903 50 0 GFAALP CCCn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000096138916 570212808 /nfs/dbraw/zinc/21/28/08/570212808.db2.gz KRKNZVGFEAHTFT-UHFFFAOYSA-N 2 2 385.560 2.787 50 0 GFAALP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096153812 570216130 /nfs/dbraw/zinc/21/61/30/570216130.db2.gz JDXSSUMAIHXWNH-SFHVURJKSA-N 2 2 383.496 2.659 50 0 GFAALP Cc1c(C)n(CCC[NH+]2CCOCC2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000020573290 570268576 /nfs/dbraw/zinc/26/85/76/570268576.db2.gz ZJRRZRKMDRJDHL-UHFFFAOYSA-N 2 2 380.496 2.778 50 0 GFAALP C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)CC1 ZINC000034682376 570300074 /nfs/dbraw/zinc/30/00/74/570300074.db2.gz PNUJTZJPUDGQER-UHFFFAOYSA-N 2 2 396.510 2.536 50 0 GFAALP Cc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091707910 571027286 /nfs/dbraw/zinc/02/72/86/571027286.db2.gz SYUVKPOBDSUTEM-UHFFFAOYSA-N 2 2 378.480 2.628 50 0 GFAALP C[N@H+](CC(=O)N1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1)Cc1ccccn1 ZINC000095354573 571051307 /nfs/dbraw/zinc/05/13/07/571051307.db2.gz KFKSHDGOQFYZIY-IFMALSPDSA-N 2 2 378.520 2.636 50 0 GFAALP C[N@@H+](CC(=O)N1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1)Cc1ccccn1 ZINC000095354573 571051309 /nfs/dbraw/zinc/05/13/09/571051309.db2.gz KFKSHDGOQFYZIY-IFMALSPDSA-N 2 2 378.520 2.636 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)Cc1ccccn1 ZINC000095354573 571051311 /nfs/dbraw/zinc/05/13/11/571051311.db2.gz KFKSHDGOQFYZIY-IFMALSPDSA-N 2 2 378.520 2.636 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1)Cc1ccccn1 ZINC000095354573 571051312 /nfs/dbraw/zinc/05/13/12/571051312.db2.gz KFKSHDGOQFYZIY-IFMALSPDSA-N 2 2 378.520 2.636 50 0 GFAALP COc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095363580 571056818 /nfs/dbraw/zinc/05/68/18/571056818.db2.gz RAYSUUGNZKUFOA-HNNXBMFYSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095363580 571056822 /nfs/dbraw/zinc/05/68/22/571056822.db2.gz RAYSUUGNZKUFOA-HNNXBMFYSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1C ZINC000095364154 571057337 /nfs/dbraw/zinc/05/73/37/571057337.db2.gz MXWHDLLFQYKFGA-GOSISDBHSA-N 2 2 380.496 2.757 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1C ZINC000095364154 571057339 /nfs/dbraw/zinc/05/73/39/571057339.db2.gz MXWHDLLFQYKFGA-GOSISDBHSA-N 2 2 380.496 2.757 50 0 GFAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1Cl ZINC000019338493 654524391 /nfs/dbraw/zinc/52/43/91/654524391.db2.gz PJYWIAMFZDOOLW-MRXNPFEDSA-N 2 2 387.977 2.685 50 0 GFAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)cc1Cl ZINC000019338493 654524393 /nfs/dbraw/zinc/52/43/93/654524393.db2.gz PJYWIAMFZDOOLW-MRXNPFEDSA-N 2 2 387.977 2.685 50 0 GFAALP Cc1nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340408 205011697 /nfs/dbraw/zinc/01/16/97/205011697.db2.gz VKDLFEKSJOCJFG-NRFANRHFSA-N 2 2 398.551 2.592 50 0 GFAALP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCCC[C@@H]3C2)no1 ZINC000067675803 205253796 /nfs/dbraw/zinc/25/37/96/205253796.db2.gz IMIZNICXKZGDTL-LJQANCHMSA-N 2 2 382.508 2.659 50 0 GFAALP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCCC[C@@H]3C2)no1 ZINC000067675803 205253801 /nfs/dbraw/zinc/25/38/01/205253801.db2.gz IMIZNICXKZGDTL-LJQANCHMSA-N 2 2 382.508 2.659 50 0 GFAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)no1 ZINC000067675803 205253805 /nfs/dbraw/zinc/25/38/05/205253805.db2.gz IMIZNICXKZGDTL-LJQANCHMSA-N 2 2 382.508 2.659 50 0 GFAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)no1 ZINC000067675803 205253810 /nfs/dbraw/zinc/25/38/10/205253810.db2.gz IMIZNICXKZGDTL-LJQANCHMSA-N 2 2 382.508 2.659 50 0 GFAALP CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C[N@@H+]3CCc4ccccc4C3)on2)C1 ZINC000067695114 205257290 /nfs/dbraw/zinc/25/72/90/205257290.db2.gz ICHPXAIXIACACH-IBGZPJMESA-N 2 2 382.508 2.789 50 0 GFAALP CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C[N@H+]3CCc4ccccc4C3)on2)C1 ZINC000067695114 205257294 /nfs/dbraw/zinc/25/72/94/205257294.db2.gz ICHPXAIXIACACH-IBGZPJMESA-N 2 2 382.508 2.789 50 0 GFAALP Nc1nc(NCC2CC[NH+](CCc3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244811671 206130276 /nfs/dbraw/zinc/13/02/76/206130276.db2.gz SIYMYTBNSXOJJB-KDURUIRLSA-N 3 2 380.540 2.630 50 0 GFAALP C(=C/c1ccccc1)\C[NH+]1CCN(c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000065384020 533351073 /nfs/dbraw/zinc/35/10/73/533351073.db2.gz PITBFHSTIPGLJR-QPJJXVBHSA-N 2 2 378.520 2.749 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000071777176 136166705 /nfs/dbraw/zinc/16/67/05/136166705.db2.gz QQDIUJFDYOHVPR-LJQANCHMSA-N 2 2 396.535 2.678 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000071777176 136166706 /nfs/dbraw/zinc/16/67/06/136166706.db2.gz QQDIUJFDYOHVPR-LJQANCHMSA-N 2 2 396.535 2.678 50 0 GFAALP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)[nH+]c2cc(F)ccc12 ZINC000091350681 136176298 /nfs/dbraw/zinc/17/62/98/136176298.db2.gz VJZBYGAMEOFXLM-UTKZUKDTSA-N 2 2 387.499 2.982 50 0 GFAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101407716 136189817 /nfs/dbraw/zinc/18/98/17/136189817.db2.gz ODMGFCASISCKCA-UHFFFAOYSA-N 2 2 383.492 2.654 50 0 GFAALP Cc1cc(C)n(Cc2ccc(N3CCC(CO)(C[NH+]4CCCC4)CC3)[nH+]c2)n1 ZINC000220328931 136204681 /nfs/dbraw/zinc/20/46/81/136204681.db2.gz NBYZORRIPCDYDX-UHFFFAOYSA-N 2 2 383.540 2.618 50 0 GFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101273 570239269 /nfs/dbraw/zinc/23/92/69/570239269.db2.gz IABDOQOBOHHPEU-FQEVSTJZSA-N 2 2 389.507 2.531 50 0 GFAALP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](Cc4ccccn4)CC3)C[C@@H]2CCO)o1 ZINC000020449958 570256411 /nfs/dbraw/zinc/25/64/11/570256411.db2.gz WQFONRGAXXMATJ-QFIPXVFZSA-N 2 2 398.551 2.516 50 0 GFAALP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](Cc4ccccn4)CC3)C[C@@H]2CCO)o1 ZINC000020449958 570256413 /nfs/dbraw/zinc/25/64/13/570256413.db2.gz WQFONRGAXXMATJ-QFIPXVFZSA-N 2 2 398.551 2.516 50 0 GFAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000014988490 570870283 /nfs/dbraw/zinc/87/02/83/570870283.db2.gz KEJIIVRISYNOHN-AZUAARDMSA-N 2 2 392.565 2.884 50 0 GFAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000014988490 570870285 /nfs/dbraw/zinc/87/02/85/570870285.db2.gz KEJIIVRISYNOHN-AZUAARDMSA-N 2 2 392.565 2.884 50 0 GFAALP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)CC1 ZINC000091965564 571038096 /nfs/dbraw/zinc/03/80/96/571038096.db2.gz ZSIRBJGSXGLTGP-UHFFFAOYSA-N 3 2 387.572 2.530 50 0 GFAALP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)CC1 ZINC000091965564 571038097 /nfs/dbraw/zinc/03/80/97/571038097.db2.gz ZSIRBJGSXGLTGP-UHFFFAOYSA-N 3 2 387.572 2.530 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000095378638 571066073 /nfs/dbraw/zinc/06/60/73/571066073.db2.gz RRLTZVAAZRBJJF-OAHLLOKOSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000095378638 571066076 /nfs/dbraw/zinc/06/60/76/571066076.db2.gz RRLTZVAAZRBJJF-OAHLLOKOSA-N 2 2 384.459 2.587 50 0 GFAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000095499608 571075776 /nfs/dbraw/zinc/07/57/76/571075776.db2.gz AHVABQXDCMJIGM-LJQANCHMSA-N 2 2 376.545 2.889 50 0 GFAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000095499608 571075779 /nfs/dbraw/zinc/07/57/79/571075779.db2.gz AHVABQXDCMJIGM-LJQANCHMSA-N 2 2 376.545 2.889 50 0 GFAALP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306236 204393231 /nfs/dbraw/zinc/39/32/31/204393231.db2.gz DFMKFZOQWOUJNK-HXUWFJFHSA-N 2 2 386.927 2.948 50 0 GFAALP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306236 204393236 /nfs/dbraw/zinc/39/32/36/204393236.db2.gz DFMKFZOQWOUJNK-HXUWFJFHSA-N 2 2 386.927 2.948 50 0 GFAALP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306236 204393239 /nfs/dbraw/zinc/39/32/39/204393239.db2.gz DFMKFZOQWOUJNK-HXUWFJFHSA-N 2 2 386.927 2.948 50 0 GFAALP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012306236 204393242 /nfs/dbraw/zinc/39/32/42/204393242.db2.gz DFMKFZOQWOUJNK-HXUWFJFHSA-N 2 2 386.927 2.948 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)c(F)c2)[nH+]c(C)n1 ZINC000065361942 205230842 /nfs/dbraw/zinc/23/08/42/205230842.db2.gz ZLGSZURUTAFUAE-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000067805553 205261125 /nfs/dbraw/zinc/26/11/25/205261125.db2.gz OJLHVQUPKUOTCJ-IBGZPJMESA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000067805553 205261127 /nfs/dbraw/zinc/26/11/27/205261127.db2.gz OJLHVQUPKUOTCJ-IBGZPJMESA-N 2 2 396.535 2.976 50 0 GFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878154 205266441 /nfs/dbraw/zinc/26/64/41/205266441.db2.gz QJECUACMGYWSIW-YKNILIKBSA-N 2 2 397.563 2.735 50 0 GFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878154 205266444 /nfs/dbraw/zinc/26/64/44/205266444.db2.gz QJECUACMGYWSIW-YKNILIKBSA-N 2 2 397.563 2.735 50 0 GFAALP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000128594662 206208901 /nfs/dbraw/zinc/20/89/01/206208901.db2.gz HTKDUOLHBUEULF-UHFFFAOYSA-N 2 2 394.922 2.969 50 0 GFAALP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1OC ZINC000072474462 136171289 /nfs/dbraw/zinc/17/12/89/136171289.db2.gz MDSXIYURTVLUIT-GOSISDBHSA-N 2 2 399.539 2.703 50 0 GFAALP COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1OC ZINC000072474462 136171290 /nfs/dbraw/zinc/17/12/90/136171290.db2.gz MDSXIYURTVLUIT-GOSISDBHSA-N 2 2 399.539 2.703 50 0 GFAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N(C)C)[nH+]1 ZINC000095504999 136180090 /nfs/dbraw/zinc/18/00/90/136180090.db2.gz BTEMXEBTOGPLKD-OAHLLOKOSA-N 2 2 383.525 2.936 50 0 GFAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC000095511799 136180639 /nfs/dbraw/zinc/18/06/39/136180639.db2.gz QFYVDXUYYFJZIO-UHFFFAOYSA-N 2 2 395.551 2.616 50 0 GFAALP CC(C)(O)CCc1ccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000072473466 222265708 /nfs/dbraw/zinc/26/57/08/222265708.db2.gz JJJWONMHIBTOQD-UHFFFAOYSA-N 2 2 387.568 2.696 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)csc2C1 ZINC000426489882 534364140 /nfs/dbraw/zinc/36/41/40/534364140.db2.gz HXVBXBQKZJBIJK-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N[C@@H]3CCC[N@H+](C)C3)csc2C1 ZINC000426489882 534364153 /nfs/dbraw/zinc/36/41/53/534364153.db2.gz HXVBXBQKZJBIJK-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H]3CCC[NH+](C)C3)csc2C1 ZINC000426489882 534364162 /nfs/dbraw/zinc/36/41/62/534364162.db2.gz HXVBXBQKZJBIJK-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H]3CCC[NH+](C)C3)csc2C1 ZINC000426489882 534364166 /nfs/dbraw/zinc/36/41/66/534364166.db2.gz HXVBXBQKZJBIJK-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426488520 528073471 /nfs/dbraw/zinc/07/34/71/528073471.db2.gz ZTACAQDORXEJKO-NRFANRHFSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426488520 528073476 /nfs/dbraw/zinc/07/34/76/528073476.db2.gz ZTACAQDORXEJKO-NRFANRHFSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000426488520 528073478 /nfs/dbraw/zinc/07/34/78/528073478.db2.gz ZTACAQDORXEJKO-NRFANRHFSA-N 2 2 377.504 2.648 50 0 GFAALP CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000426488520 528073481 /nfs/dbraw/zinc/07/34/81/528073481.db2.gz ZTACAQDORXEJKO-NRFANRHFSA-N 2 2 377.504 2.648 50 0 GFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc3c(c2)OCO3)c1=[NH2+] ZINC000000780170 570222755 /nfs/dbraw/zinc/22/27/55/570222755.db2.gz LUISFFOEAJFISL-LJQANCHMSA-N 2 2 396.491 2.726 50 0 GFAALP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](Cc4ccco4)CC3)C[C@@H]2CCO)n1 ZINC000020272859 570251105 /nfs/dbraw/zinc/25/11/05/570251105.db2.gz SQTBQJKUNWOLDG-QFIPXVFZSA-N 2 2 398.551 2.516 50 0 GFAALP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](Cc4ccco4)CC3)C[C@@H]2CCO)n1 ZINC000020272859 570251107 /nfs/dbraw/zinc/25/11/07/570251107.db2.gz SQTBQJKUNWOLDG-QFIPXVFZSA-N 2 2 398.551 2.516 50 0 GFAALP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000105903410 570305833 /nfs/dbraw/zinc/30/58/33/570305833.db2.gz BQJGSMKTNGAARS-IBGZPJMESA-N 2 2 386.540 2.666 50 0 GFAALP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000105903410 570305834 /nfs/dbraw/zinc/30/58/34/570305834.db2.gz BQJGSMKTNGAARS-IBGZPJMESA-N 2 2 386.540 2.666 50 0 GFAALP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C ZINC000012446586 570666556 /nfs/dbraw/zinc/66/65/56/570666556.db2.gz IRBOTPUNVSTQIH-UHFFFAOYSA-N 2 2 395.551 2.999 50 0 GFAALP C[NH+](C)CCCNC(=O)c1oc2ccc(Cl)cc2c1C[NH2+]CCC[NH+](C)C ZINC000015017632 570872274 /nfs/dbraw/zinc/87/22/74/570872274.db2.gz QAGMPOIONABFSH-UHFFFAOYSA-N 3 2 394.947 2.809 50 0 GFAALP Cc1cc2[nH]c(CCNC(=O)N3CCN(c4cc[nH+]cc4)CC3)[nH+]c2cc1C ZINC000534583268 570903713 /nfs/dbraw/zinc/90/37/13/570903713.db2.gz RSFBUKDPGIIGLO-UHFFFAOYSA-N 2 2 378.480 2.649 50 0 GFAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091690595 571025878 /nfs/dbraw/zinc/02/58/78/571025878.db2.gz UWTYJGCHRZSZAX-CYGHRXIMSA-N 2 2 386.458 2.855 50 0 GFAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091690595 571025880 /nfs/dbraw/zinc/02/58/80/571025880.db2.gz UWTYJGCHRZSZAX-CYGHRXIMSA-N 2 2 386.458 2.855 50 0 GFAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091690595 571025884 /nfs/dbraw/zinc/02/58/84/571025884.db2.gz UWTYJGCHRZSZAX-CYGHRXIMSA-N 2 2 386.458 2.855 50 0 GFAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091690595 571025886 /nfs/dbraw/zinc/02/58/86/571025886.db2.gz UWTYJGCHRZSZAX-CYGHRXIMSA-N 2 2 386.458 2.855 50 0 GFAALP Cc1ccc2[nH]c(CCC(=O)N3CC[C@H]([NH+](C)C)[C@H](CCCO)C3)[nH+]c2c1C ZINC000091943357 571036793 /nfs/dbraw/zinc/03/67/93/571036793.db2.gz JLVWIHNZHZEMAA-MJGOQNOKSA-N 2 2 386.540 2.664 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cs1 ZINC000095368904 571059858 /nfs/dbraw/zinc/05/98/58/571059858.db2.gz HESBWIDBFGOUGM-MRXNPFEDSA-N 2 2 384.509 2.704 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cs1 ZINC000095368904 571059861 /nfs/dbraw/zinc/05/98/61/571059861.db2.gz HESBWIDBFGOUGM-MRXNPFEDSA-N 2 2 384.509 2.704 50 0 GFAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095526152 571090460 /nfs/dbraw/zinc/09/04/60/571090460.db2.gz GRQKPFATEYCMCG-SFHVURJKSA-N 2 2 375.561 2.586 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)[nH+]cn1 ZINC000035598191 204273973 /nfs/dbraw/zinc/27/39/73/204273973.db2.gz YEADSABDIBNLKO-UHFFFAOYSA-N 2 2 399.405 2.603 50 0 GFAALP CCCCOc1ccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)nc[nH+]2)cc1 ZINC000035598083 204274852 /nfs/dbraw/zinc/27/48/52/204274852.db2.gz VDFXVOLETDWMAH-UHFFFAOYSA-N 2 2 394.479 2.992 50 0 GFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](O)CC)CC2)c1Cc1ccc(F)cc1 ZINC000036340785 205011344 /nfs/dbraw/zinc/01/13/44/205011344.db2.gz GSRAFYWRABEVFF-IBGZPJMESA-N 2 2 386.515 2.970 50 0 GFAALP CS(=O)(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000067785638 205259974 /nfs/dbraw/zinc/25/99/74/205259974.db2.gz OJDCVOUJGCTAED-FQEVSTJZSA-N 2 2 379.570 2.617 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(F)c3)CC2)C1 ZINC000067854897 205264084 /nfs/dbraw/zinc/26/40/84/205264084.db2.gz DGEVNJXOGOVICY-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(F)c3)CC2)C1 ZINC000067854897 205264088 /nfs/dbraw/zinc/26/40/88/205264088.db2.gz DGEVNJXOGOVICY-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000071761079 205293816 /nfs/dbraw/zinc/29/38/16/205293816.db2.gz ZUPSHFFVLQZLTI-GOSISDBHSA-N 2 2 389.588 2.905 50 0 GFAALP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000071761079 205293820 /nfs/dbraw/zinc/29/38/20/205293820.db2.gz ZUPSHFFVLQZLTI-GOSISDBHSA-N 2 2 389.588 2.905 50 0 GFAALP C[NH+](C)Cc1nnc(C2CC[NH+](C3CSCCSC3)CC2)n1C1CC1 ZINC000082087201 205385726 /nfs/dbraw/zinc/38/57/26/205385726.db2.gz PAZLRSSKBJCSKF-UHFFFAOYSA-N 2 2 381.615 2.703 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@@H](C)Cn3cncn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095520077 136181272 /nfs/dbraw/zinc/18/12/72/136181272.db2.gz SXUFQICOVNJFNU-KRWDZBQOSA-N 2 2 377.496 2.691 50 0 GFAALP c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)nc1 ZINC000019810694 570221351 /nfs/dbraw/zinc/22/13/51/570221351.db2.gz GYVXTWJGESOZDA-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)nc1 ZINC000019810694 570221353 /nfs/dbraw/zinc/22/13/53/570221353.db2.gz GYVXTWJGESOZDA-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000000819250 570372603 /nfs/dbraw/zinc/37/26/03/570372603.db2.gz BDRSYFDJOXZFPT-UHFFFAOYSA-N 2 2 394.357 2.825 50 0 GFAALP O=C(CSc1[nH+]cc2ccccn21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000027667370 570439698 /nfs/dbraw/zinc/43/96/98/570439698.db2.gz DDOZDRPZPCDQNI-UHFFFAOYSA-N 2 2 396.516 2.575 50 0 GFAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1)N1CCCC1 ZINC000036385644 570656552 /nfs/dbraw/zinc/65/65/52/570656552.db2.gz XFKNEUSXWSKLRK-UHFFFAOYSA-N 2 2 397.563 2.920 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000092046178 571042436 /nfs/dbraw/zinc/04/24/36/571042436.db2.gz XBZUEHJERGJRLH-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000092046178 571042440 /nfs/dbraw/zinc/04/24/40/571042440.db2.gz XBZUEHJERGJRLH-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000092046178 571042446 /nfs/dbraw/zinc/04/24/46/571042446.db2.gz XBZUEHJERGJRLH-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000092046178 571042450 /nfs/dbraw/zinc/04/24/50/571042450.db2.gz XBZUEHJERGJRLH-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP Cc1cccc(OCC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095352581 571050425 /nfs/dbraw/zinc/05/04/25/571050425.db2.gz DEUZTPMTRZLCTN-IBGZPJMESA-N 2 2 384.524 2.928 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426369445 529644779 /nfs/dbraw/zinc/64/47/79/529644779.db2.gz WPJOKVUTEGNNRN-KRWDZBQOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426369445 529644783 /nfs/dbraw/zinc/64/47/83/529644783.db2.gz WPJOKVUTEGNNRN-KRWDZBQOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426369445 529644786 /nfs/dbraw/zinc/64/47/86/529644786.db2.gz WPJOKVUTEGNNRN-KRWDZBQOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426369445 529644788 /nfs/dbraw/zinc/64/47/88/529644788.db2.gz WPJOKVUTEGNNRN-KRWDZBQOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccccc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000035598125 204273912 /nfs/dbraw/zinc/27/39/12/204273912.db2.gz WRPDYBXMAPQFEC-UHFFFAOYSA-N 2 2 391.479 2.887 50 0 GFAALP Cn1cc[nH+]c1CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000011820323 204356512 /nfs/dbraw/zinc/35/65/12/204356512.db2.gz JUKWFEJMSZTKCV-UHFFFAOYSA-N 2 2 388.515 2.748 50 0 GFAALP Cn1cc[nH+]c1CNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000011820323 204356515 /nfs/dbraw/zinc/35/65/15/204356515.db2.gz JUKWFEJMSZTKCV-UHFFFAOYSA-N 2 2 388.515 2.748 50 0 GFAALP CSCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000012308175 204394271 /nfs/dbraw/zinc/39/42/71/204394271.db2.gz RNVHQZXOLNURLV-UHFFFAOYSA-N 2 2 390.597 2.546 50 0 GFAALP CCc1[nH+]c(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccccc1F ZINC000036316583 205011682 /nfs/dbraw/zinc/01/16/82/205011682.db2.gz XANXXQMUEJGGSK-UHFFFAOYSA-N 2 2 386.515 2.970 50 0 GFAALP Cn1cncc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000065467365 205234466 /nfs/dbraw/zinc/23/44/66/205234466.db2.gz GGPPQPDBPHFIDR-AWAHEQQVSA-N 2 2 388.515 2.700 50 0 GFAALP Cn1cncc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000065467365 205234470 /nfs/dbraw/zinc/23/44/70/205234470.db2.gz GGPPQPDBPHFIDR-AWAHEQQVSA-N 2 2 388.515 2.700 50 0 GFAALP CC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)C1 ZINC000067514253 205249099 /nfs/dbraw/zinc/24/90/99/205249099.db2.gz LCGFLSJHWJHFAF-OAQYLSRUSA-N 2 2 378.520 2.992 50 0 GFAALP CC[N@H+]1CCC[C@@H](C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)C1 ZINC000067514253 205249101 /nfs/dbraw/zinc/24/91/01/205249101.db2.gz LCGFLSJHWJHFAF-OAQYLSRUSA-N 2 2 378.520 2.992 50 0 GFAALP [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000067740012 205258817 /nfs/dbraw/zinc/25/88/17/205258817.db2.gz XESANISPBZGFGT-UHFFFAOYSA-N 2 2 390.447 2.578 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC000067840639 205263230 /nfs/dbraw/zinc/26/32/30/205263230.db2.gz RLLFOSFNPIDWSM-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC000067840639 205263231 /nfs/dbraw/zinc/26/32/31/205263231.db2.gz RLLFOSFNPIDWSM-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777206 205297137 /nfs/dbraw/zinc/29/71/37/205297137.db2.gz UWTWNVHYWJUGAY-IBGZPJMESA-N 2 2 388.531 2.719 50 0 GFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777206 205297142 /nfs/dbraw/zinc/29/71/42/205297142.db2.gz UWTWNVHYWJUGAY-IBGZPJMESA-N 2 2 388.531 2.719 50 0 GFAALP CCn1ccc2cc(CCC(=O)N3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc21 ZINC000075550650 205357015 /nfs/dbraw/zinc/35/70/15/205357015.db2.gz ZGYPDAFXSCNQDX-UHFFFAOYSA-N 2 2 382.552 2.832 50 0 GFAALP CCn1c(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240228085 206127428 /nfs/dbraw/zinc/12/74/28/206127428.db2.gz KFVLOFUTSPZWDU-KDYLLFBJSA-N 2 2 383.475 2.664 50 0 GFAALP CCn1c(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240228085 206127433 /nfs/dbraw/zinc/12/74/33/206127433.db2.gz KFVLOFUTSPZWDU-KDYLLFBJSA-N 2 2 383.475 2.664 50 0 GFAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491939 206183740 /nfs/dbraw/zinc/18/37/40/206183740.db2.gz LVTVYKPMVSSRLL-UHFFFAOYSA-N 2 2 399.926 2.708 50 0 GFAALP OCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751686 566085643 /nfs/dbraw/zinc/08/56/43/566085643.db2.gz QEIQGZXHIWFRRT-MAUKXSAKSA-N 2 2 383.330 2.716 50 0 GFAALP Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cn2c1 ZINC000096162530 570217368 /nfs/dbraw/zinc/21/73/68/570217368.db2.gz YSSJEKKOXGSYCN-UHFFFAOYSA-N 2 2 379.464 2.797 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)NCc3cn4c(cccc4C)[nH+]3)CC2)c1 ZINC000069479172 570255776 /nfs/dbraw/zinc/25/57/76/570255776.db2.gz NWPUHEZGQFCPSM-UHFFFAOYSA-N 2 2 377.492 2.979 50 0 GFAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3COCC[C@@H]3OCc3cscn3)CC2)c1 ZINC000220350795 570385468 /nfs/dbraw/zinc/38/54/68/570385468.db2.gz IYSKGTBMVRJBGG-MOPGFXCFSA-N 2 2 377.510 2.664 50 0 GFAALP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000237786752 570397498 /nfs/dbraw/zinc/39/74/98/570397498.db2.gz LWTFSNJFKXMUAZ-UHFFFAOYSA-N 2 2 378.467 2.704 50 0 GFAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCc2ccccc21 ZINC000025696664 570418189 /nfs/dbraw/zinc/41/81/89/570418189.db2.gz VKWPBUNMDMIPMG-IBGZPJMESA-N 2 2 393.531 2.976 50 0 GFAALP CC[NH+](CC)CCNC[C@@H](O)C[N@@H+]1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000022033694 570778518 /nfs/dbraw/zinc/77/85/18/570778518.db2.gz WIWRJIZZYKIADD-XXBNENTESA-N 2 2 398.595 2.935 50 0 GFAALP CC[NH+](CC)CCNC[C@@H](O)C[N@H+]1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000022033694 570778522 /nfs/dbraw/zinc/77/85/22/570778522.db2.gz WIWRJIZZYKIADD-XXBNENTESA-N 2 2 398.595 2.935 50 0 GFAALP O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000019300669 570974133 /nfs/dbraw/zinc/97/41/33/570974133.db2.gz FQOWYEFMLIEEMZ-GOSISDBHSA-N 2 2 385.533 2.623 50 0 GFAALP CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)nc1 ZINC000091747112 571029421 /nfs/dbraw/zinc/02/94/21/571029421.db2.gz TVGLVXCSLJGUMN-UHFFFAOYSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)nc1 ZINC000091747112 571029422 /nfs/dbraw/zinc/02/94/22/571029422.db2.gz TVGLVXCSLJGUMN-UHFFFAOYSA-N 2 2 381.524 2.814 50 0 GFAALP OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000095375913 571064186 /nfs/dbraw/zinc/06/41/86/571064186.db2.gz PWEMXTYRSWGFQF-IAGOWNOFSA-N 2 2 387.351 2.738 50 0 GFAALP OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000095375913 571064187 /nfs/dbraw/zinc/06/41/87/571064187.db2.gz PWEMXTYRSWGFQF-IAGOWNOFSA-N 2 2 387.351 2.738 50 0 GFAALP Cc1nc(CC(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cs1 ZINC000095391908 571073199 /nfs/dbraw/zinc/07/31/99/571073199.db2.gz MJKAUKLFAZOCHR-UHFFFAOYSA-N 2 2 375.542 2.548 50 0 GFAALP COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095516781 571084334 /nfs/dbraw/zinc/08/43/34/571084334.db2.gz AYAOUEDGPKHUIP-UHFFFAOYSA-N 2 2 386.496 2.908 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC([NH3+])CC4)csc3C2)nc1 ZINC000426523740 529643554 /nfs/dbraw/zinc/64/35/54/529643554.db2.gz WGYLSJPOGURCQK-UHFFFAOYSA-N 2 2 384.549 2.827 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC([NH3+])CC4)csc3C2)nc1 ZINC000426523740 529643555 /nfs/dbraw/zinc/64/35/55/529643555.db2.gz WGYLSJPOGURCQK-UHFFFAOYSA-N 2 2 384.549 2.827 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426584136 529644309 /nfs/dbraw/zinc/64/43/09/529644309.db2.gz VHQFAQMYGAZMHX-CVEARBPZSA-N 2 2 384.549 2.873 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426584136 529644312 /nfs/dbraw/zinc/64/43/12/529644312.db2.gz VHQFAQMYGAZMHX-CVEARBPZSA-N 2 2 384.549 2.873 50 0 GFAALP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000011770565 204352404 /nfs/dbraw/zinc/35/24/04/204352404.db2.gz LLHQEFNWAHXMIC-HXUWFJFHSA-N 3 2 397.991 2.997 50 0 GFAALP CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1cc[nH+]c1 ZINC000011936681 204365227 /nfs/dbraw/zinc/36/52/27/204365227.db2.gz FSKAZFJMDYPRMU-HXUWFJFHSA-N 2 2 384.524 2.695 50 0 GFAALP CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1cc[nH+]c1 ZINC000011936681 204365230 /nfs/dbraw/zinc/36/52/30/204365230.db2.gz FSKAZFJMDYPRMU-HXUWFJFHSA-N 2 2 384.524 2.695 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774729 205297508 /nfs/dbraw/zinc/29/75/08/205297508.db2.gz AMUAAZWBVJMCQM-FQEVSTJZSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774729 205297513 /nfs/dbraw/zinc/29/75/13/205297513.db2.gz AMUAAZWBVJMCQM-FQEVSTJZSA-N 2 2 396.535 2.976 50 0 GFAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491670 206183586 /nfs/dbraw/zinc/18/35/86/206183586.db2.gz BUQIWMQFHVWTRP-UHFFFAOYSA-N 2 2 399.926 2.708 50 0 GFAALP CC[C@@H]1C[N@H+](CC(=O)NCC[C@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771515 206189002 /nfs/dbraw/zinc/18/90/02/206189002.db2.gz PXHRDUSIZPMQND-QZTJIDSGSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[N@@H+](CC(=O)NCC[C@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771515 206189008 /nfs/dbraw/zinc/18/90/08/206189008.db2.gz PXHRDUSIZPMQND-QZTJIDSGSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[NH+](CC(=O)NCC[C@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771515 206189012 /nfs/dbraw/zinc/18/90/12/206189012.db2.gz PXHRDUSIZPMQND-QZTJIDSGSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@@H]1C[NH+](CC(=O)NCC[C@H]2CCC[N@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771515 206189014 /nfs/dbraw/zinc/18/90/14/206189014.db2.gz PXHRDUSIZPMQND-QZTJIDSGSA-N 2 2 379.932 2.914 50 0 GFAALP CC[NH+]1CCC([N@@H+]2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)CC1 ZINC000020854723 570282362 /nfs/dbraw/zinc/28/23/62/570282362.db2.gz MQRZJFRNHFRCFZ-VQTJNVASSA-N 2 2 375.488 2.748 50 0 GFAALP CC[NH+]1CCC([N@H+]2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)CC1 ZINC000020854723 570282363 /nfs/dbraw/zinc/28/23/63/570282363.db2.gz MQRZJFRNHFRCFZ-VQTJNVASSA-N 2 2 375.488 2.748 50 0 GFAALP COc1cc(CN2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374955 570358323 /nfs/dbraw/zinc/35/83/23/570358323.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 2 2 379.545 2.560 50 0 GFAALP COc1cc(CN2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374955 570358326 /nfs/dbraw/zinc/35/83/26/570358326.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 2 2 379.545 2.560 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]cn1 ZINC000035598165 570555718 /nfs/dbraw/zinc/55/57/18/570555718.db2.gz XPWJAVGUVUCIGG-UHFFFAOYSA-N 2 2 390.369 2.831 50 0 GFAALP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095358877 571053873 /nfs/dbraw/zinc/05/38/73/571053873.db2.gz AHUACIWHRISORN-OAQYLSRUSA-N 2 2 379.504 2.817 50 0 GFAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095528350 571091960 /nfs/dbraw/zinc/09/19/60/571091960.db2.gz KMERGYGZBWWJDI-HXUWFJFHSA-N 2 2 392.540 2.533 50 0 GFAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000426387353 231212486 /nfs/dbraw/zinc/21/24/86/231212486.db2.gz XFTMFQJBDYFDMI-SFHVURJKSA-N 2 2 378.480 2.999 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426508105 529643656 /nfs/dbraw/zinc/64/36/56/529643656.db2.gz PHNMEKJJYIZFTJ-UHFFFAOYSA-N 2 2 384.549 2.746 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426508105 529643659 /nfs/dbraw/zinc/64/36/59/529643659.db2.gz PHNMEKJJYIZFTJ-UHFFFAOYSA-N 2 2 384.549 2.746 50 0 GFAALP CC[NH+]1CCN(C[C@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706627 207150976 /nfs/dbraw/zinc/15/09/76/207150976.db2.gz HFDBNPIDCZKBSN-CVDCTZTESA-N 2 2 396.579 2.641 50 0 GFAALP CC[NH+]1CCN(C[C@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706627 207150979 /nfs/dbraw/zinc/15/09/79/207150979.db2.gz HFDBNPIDCZKBSN-CVDCTZTESA-N 2 2 396.579 2.641 50 0 GFAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2nc3cc(F)ccc3[nH]2)C[C@H]1CO ZINC000020535369 207201234 /nfs/dbraw/zinc/20/12/34/207201234.db2.gz KAGIQIWZTXEMMZ-VWVPQACVSA-N 2 2 386.446 2.985 50 0 GFAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2nc3cc(F)ccc3[nH]2)C[C@H]1CO ZINC000020535369 207201237 /nfs/dbraw/zinc/20/12/37/207201237.db2.gz KAGIQIWZTXEMMZ-VWVPQACVSA-N 2 2 386.446 2.985 50 0 GFAALP COc1cccc(CN2CC3(CC2=O)CC[NH+](CCCn2cc[nH+]c2)CC3)c1 ZINC000077470741 208045812 /nfs/dbraw/zinc/04/58/12/208045812.db2.gz SWVUIUCMTJUWRO-UHFFFAOYSA-N 2 2 382.508 2.797 50 0 GFAALP CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120133 208081144 /nfs/dbraw/zinc/08/11/44/208081144.db2.gz SPZLGXCRGDAOCO-HNNXBMFYSA-N 2 2 380.496 2.556 50 0 GFAALP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc(F)c1 ZINC000095383471 208171914 /nfs/dbraw/zinc/17/19/14/208171914.db2.gz PWZXAKNQNZNSOL-OAQYLSRUSA-N 2 2 385.483 2.915 50 0 GFAALP CN(C)c1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095530901 208229000 /nfs/dbraw/zinc/22/90/00/208229000.db2.gz UDGDXVXIBIQJQJ-GOSISDBHSA-N 2 2 383.540 2.921 50 0 GFAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101408759 208392933 /nfs/dbraw/zinc/39/29/33/208392933.db2.gz DGQQBHFIDFLRLZ-QGZVFWFLSA-N 2 2 386.517 2.884 50 0 GFAALP COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)c1OCCCn1cc[nH+]c1 ZINC000216176644 570296706 /nfs/dbraw/zinc/29/67/06/570296706.db2.gz BQNRJLOFYVXQNF-ICSRJNTNSA-N 2 2 384.524 2.887 50 0 GFAALP COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+](C)C3)c1OCCCn1cc[nH+]c1 ZINC000216176644 570296708 /nfs/dbraw/zinc/29/67/08/570296708.db2.gz BQNRJLOFYVXQNF-ICSRJNTNSA-N 2 2 384.524 2.887 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000249694619 570321708 /nfs/dbraw/zinc/32/17/08/570321708.db2.gz PFZIMRSKCBKQAP-QZTJIDSGSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000249694619 570321711 /nfs/dbraw/zinc/32/17/11/570321711.db2.gz PFZIMRSKCBKQAP-QZTJIDSGSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000249694619 570321712 /nfs/dbraw/zinc/32/17/12/570321712.db2.gz PFZIMRSKCBKQAP-QZTJIDSGSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000249694619 570321715 /nfs/dbraw/zinc/32/17/15/570321715.db2.gz PFZIMRSKCBKQAP-QZTJIDSGSA-N 2 2 388.560 2.506 50 0 GFAALP Cc1cc(C)n(-c2cccc(CN(C)c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)c2)n1 ZINC000219025568 570346337 /nfs/dbraw/zinc/34/63/37/570346337.db2.gz POIJARZQSYCVOY-UHFFFAOYSA-N 2 2 377.496 2.702 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)[nH+]cn1 ZINC000035598126 570400599 /nfs/dbraw/zinc/40/05/99/570400599.db2.gz DCEMWLFBKVZMKF-UHFFFAOYSA-N 2 2 395.442 2.772 50 0 GFAALP CC[C@H]1CN(C(=O)c2ccc(N(C)Cc3[nH+]ccn3CC)nc2)CC[N@@H+]1C(C)C ZINC000012302742 570637098 /nfs/dbraw/zinc/63/70/98/570637098.db2.gz PQTHPWYUMXITNP-IBGZPJMESA-N 2 2 398.555 2.879 50 0 GFAALP CC[C@H]1CN(C(=O)c2ccc(N(C)Cc3[nH+]ccn3CC)nc2)CC[N@H+]1C(C)C ZINC000012302742 570637101 /nfs/dbraw/zinc/63/71/01/570637101.db2.gz PQTHPWYUMXITNP-IBGZPJMESA-N 2 2 398.555 2.879 50 0 GFAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000426584048 530049913 /nfs/dbraw/zinc/04/99/13/530049913.db2.gz QOTMBUHSHHHXAD-UHFFFAOYSA-N 2 2 384.446 2.627 50 0 GFAALP CSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC[N@@H+](C)C3 ZINC000020443445 207192541 /nfs/dbraw/zinc/19/25/41/207192541.db2.gz KVJBXJIBJVRDLY-UHFFFAOYSA-N 2 2 393.582 2.535 50 0 GFAALP CSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC[N@H+](C)C3 ZINC000020443445 207192546 /nfs/dbraw/zinc/19/25/46/207192546.db2.gz KVJBXJIBJVRDLY-UHFFFAOYSA-N 2 2 393.582 2.535 50 0 GFAALP C[N@H+](CCCN1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477157 208030975 /nfs/dbraw/zinc/03/09/75/208030975.db2.gz QPFFFDPGNRLFDF-FQEVSTJZSA-N 3 2 392.588 2.680 50 0 GFAALP C[N@@H+](CCCN1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477157 208030979 /nfs/dbraw/zinc/03/09/79/208030979.db2.gz QPFFFDPGNRLFDF-FQEVSTJZSA-N 3 2 392.588 2.680 50 0 GFAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000091575392 208123262 /nfs/dbraw/zinc/12/32/62/208123262.db2.gz DTFKHXLUAPADGT-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000091575392 208123266 /nfs/dbraw/zinc/12/32/66/208123266.db2.gz DTFKHXLUAPADGT-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000091575392 208123268 /nfs/dbraw/zinc/12/32/68/208123268.db2.gz DTFKHXLUAPADGT-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000091575392 208123274 /nfs/dbraw/zinc/12/32/74/208123274.db2.gz DTFKHXLUAPADGT-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP OC[C@@]12C[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C[C@@H]1c1ccccc1OC2 ZINC000095370321 208166667 /nfs/dbraw/zinc/16/66/67/208166667.db2.gz FKLYYXGDOLQOAM-FYYLOGMGSA-N 2 2 379.504 2.517 50 0 GFAALP OC[C@@]12C[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C[C@@H]1c1ccccc1OC2 ZINC000095370321 208166672 /nfs/dbraw/zinc/16/66/72/208166672.db2.gz FKLYYXGDOLQOAM-FYYLOGMGSA-N 2 2 379.504 2.517 50 0 GFAALP Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095527561 208227442 /nfs/dbraw/zinc/22/74/42/208227442.db2.gz PRHPGMHOZFXZHH-INIZCTEOSA-N 2 2 378.480 2.799 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012874 208252612 /nfs/dbraw/zinc/25/26/12/208252612.db2.gz WPTQKTNCUOCAHO-GOSISDBHSA-N 2 2 378.520 2.877 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012874 208252616 /nfs/dbraw/zinc/25/26/16/208252616.db2.gz WPTQKTNCUOCAHO-GOSISDBHSA-N 2 2 378.520 2.877 50 0 GFAALP COc1ccc(F)c(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)c1 ZINC000096130737 208265939 /nfs/dbraw/zinc/26/59/39/208265939.db2.gz XVDHBVRZPNBRPN-UHFFFAOYSA-N 2 2 387.503 2.938 50 0 GFAALP CC[N@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000244811764 209024933 /nfs/dbraw/zinc/02/49/33/209024933.db2.gz SKRKSISBGJJZSQ-HDICACEKSA-N 3 2 380.540 2.754 50 0 GFAALP CC[N@@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000244811764 209024937 /nfs/dbraw/zinc/02/49/37/209024937.db2.gz SKRKSISBGJJZSQ-HDICACEKSA-N 3 2 380.540 2.754 50 0 GFAALP Cc1cc(N2CC[NH+](Cc3nc4ccccc4n3CC(C)C)CC2)nc(N)[nH+]1 ZINC000065407057 136163866 /nfs/dbraw/zinc/16/38/66/136163866.db2.gz NHORHBDVPYHWSB-UHFFFAOYSA-N 2 2 379.512 2.695 50 0 GFAALP Cc1c[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)nc1N(C)C 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/nfs/dbraw/zinc/57/33/05/570573305.db2.gz RMJMDKNYIRBSRG-GOSISDBHSA-N 2 2 396.491 2.742 50 0 GFAALP Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662819 570577464 /nfs/dbraw/zinc/57/74/64/570577464.db2.gz NKPILMTXRZKDRK-HNNXBMFYSA-N 2 2 387.553 2.735 50 0 GFAALP Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662819 570577467 /nfs/dbraw/zinc/57/74/67/570577467.db2.gz NKPILMTXRZKDRK-HNNXBMFYSA-N 2 2 387.553 2.735 50 0 GFAALP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)o1 ZINC000011817197 570584276 /nfs/dbraw/zinc/58/42/76/570584276.db2.gz AIQYCNHHDFCDHM-UHFFFAOYSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015102811 570736081 /nfs/dbraw/zinc/73/60/81/570736081.db2.gz WZTVLWWJJJNJBW-UHFFFAOYSA-N 2 2 397.519 2.777 50 0 GFAALP Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015102811 570736084 /nfs/dbraw/zinc/73/60/84/570736084.db2.gz WZTVLWWJJJNJBW-UHFFFAOYSA-N 2 2 397.519 2.777 50 0 GFAALP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@@H](C)O1 ZINC000084706296 571032212 /nfs/dbraw/zinc/03/22/12/571032212.db2.gz KNXFKNMYFLEONC-CHWSQXEVSA-N 2 2 385.302 2.767 50 0 GFAALP C[NH+]1CCC(N(Cc2ccncc2)C(=O)NCc2c[nH+]c3ccccn23)CC1 ZINC000426511828 530049838 /nfs/dbraw/zinc/04/98/38/530049838.db2.gz VUIJLRIDKDZXOB-UHFFFAOYSA-N 2 2 378.480 2.535 50 0 GFAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000023731541 207282013 /nfs/dbraw/zinc/28/20/13/207282013.db2.gz HMNMNFJXRVJXHB-SFHVURJKSA-N 2 2 379.504 2.586 50 0 GFAALP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc1 ZINC000091518725 208121752 /nfs/dbraw/zinc/12/17/52/208121752.db2.gz PLKZVQYZLQJKMV-JOCHJYFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc1 ZINC000091518725 208121756 /nfs/dbraw/zinc/12/17/56/208121756.db2.gz PLKZVQYZLQJKMV-JOCHJYFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)nc1 ZINC000091518725 208121763 /nfs/dbraw/zinc/12/17/63/208121763.db2.gz PLKZVQYZLQJKMV-JOCHJYFZSA-N 2 2 381.524 2.814 50 0 GFAALP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)nc1 ZINC000091518725 208121769 /nfs/dbraw/zinc/12/17/69/208121769.db2.gz PLKZVQYZLQJKMV-JOCHJYFZSA-N 2 2 381.524 2.814 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385426 208174888 /nfs/dbraw/zinc/17/48/88/208174888.db2.gz DCJDZCFIFWNSED-SFHVURJKSA-N 2 2 375.480 2.921 50 0 GFAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385426 208174894 /nfs/dbraw/zinc/17/48/94/208174894.db2.gz DCJDZCFIFWNSED-SFHVURJKSA-N 2 2 375.480 2.921 50 0 GFAALP O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095505069 208206171 /nfs/dbraw/zinc/20/61/71/208206171.db2.gz ZBLZQWCQFGQKOO-HXUWFJFHSA-N 2 2 381.524 2.908 50 0 GFAALP Cn1cc(C(=O)N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)c2ccccc21 ZINC000095513097 208213289 /nfs/dbraw/zinc/21/32/89/208213289.db2.gz GPGGYFHVLCMBPX-UHFFFAOYSA-N 2 2 379.508 2.956 50 0 GFAALP CCCc1cc(N2CCC([NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C)[nH+]1 ZINC000095518185 136181023 /nfs/dbraw/zinc/18/10/23/136181023.db2.gz ZKZGRJPSRNLIAH-UHFFFAOYSA-N 3 2 380.540 2.924 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](CO)Cc2ccc(O)cc2)CC1 ZINC000096130744 535436147 /nfs/dbraw/zinc/43/61/47/535436147.db2.gz FUWKMYFKFMSXHR-HXUWFJFHSA-N 2 2 384.524 2.605 50 0 GFAALP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](Cc4ccco4)CC3)C[C@H]2CCO)n1 ZINC000104498486 570259347 /nfs/dbraw/zinc/25/93/47/570259347.db2.gz SQTBQJKUNWOLDG-JOCHJYFZSA-N 2 2 398.551 2.516 50 0 GFAALP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](Cc4ccco4)CC3)C[C@H]2CCO)n1 ZINC000104498486 570259348 /nfs/dbraw/zinc/25/93/48/570259348.db2.gz SQTBQJKUNWOLDG-JOCHJYFZSA-N 2 2 398.551 2.516 50 0 GFAALP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](Cc4ccccn4)CC3)C[C@H]2CCO)o1 ZINC000104628185 570260083 /nfs/dbraw/zinc/26/00/83/570260083.db2.gz WQFONRGAXXMATJ-JOCHJYFZSA-N 2 2 398.551 2.516 50 0 GFAALP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](Cc4ccccn4)CC3)C[C@H]2CCO)o1 ZINC000104628185 570260086 /nfs/dbraw/zinc/26/00/86/570260086.db2.gz WQFONRGAXXMATJ-JOCHJYFZSA-N 2 2 398.551 2.516 50 0 GFAALP CSc1ccc([C@H]2[NH+]=C(N3CC[NH+](C)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000049765350 570272230 /nfs/dbraw/zinc/27/22/30/570272230.db2.gz BKKBMRIZZZXNRG-KRWDZBQOSA-N 2 2 384.509 2.556 50 0 GFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2)c1=[NH2+] ZINC000004859507 570413377 /nfs/dbraw/zinc/41/33/77/570413377.db2.gz GYKBQIPGEJYPNV-GOSISDBHSA-N 2 2 382.508 2.704 50 0 GFAALP Cc1cccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)nc21 ZINC000071753013 570847378 /nfs/dbraw/zinc/84/73/78/570847378.db2.gz FJMGNPBNYJHIGU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP Cc1cccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)nc21 ZINC000071753013 570847380 /nfs/dbraw/zinc/84/73/80/570847380.db2.gz FJMGNPBNYJHIGU-QGZVFWFLSA-N 2 2 383.540 2.636 50 0 GFAALP 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ZINC000072434141 208026114 /nfs/dbraw/zinc/02/61/14/208026114.db2.gz QJLOMHLEMVHERA-UHFFFAOYSA-N 2 2 383.481 2.926 50 0 GFAALP COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095363579 208163593 /nfs/dbraw/zinc/16/35/93/208163593.db2.gz RAYSUUGNZKUFOA-OAHLLOKOSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095363579 208163599 /nfs/dbraw/zinc/16/35/99/208163599.db2.gz RAYSUUGNZKUFOA-OAHLLOKOSA-N 2 2 384.459 2.587 50 0 GFAALP CC(C)n1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000092037930 208146307 /nfs/dbraw/zinc/14/63/07/208146307.db2.gz IDLHDGUKDYWKLW-OAQYLSRUSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000092037930 208146312 /nfs/dbraw/zinc/14/63/12/208146312.db2.gz IDLHDGUKDYWKLW-OAQYLSRUSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000092037930 208146319 /nfs/dbraw/zinc/14/63/19/208146319.db2.gz IDLHDGUKDYWKLW-OAQYLSRUSA-N 2 2 384.528 2.634 50 0 GFAALP CC(C)n1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000092037930 208146326 /nfs/dbraw/zinc/14/63/26/208146326.db2.gz IDLHDGUKDYWKLW-OAQYLSRUSA-N 2 2 384.528 2.634 50 0 GFAALP CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095528464 208226899 /nfs/dbraw/zinc/22/68/99/208226899.db2.gz ZUDJQOLSFANYIW-UHFFFAOYSA-N 2 2 384.509 2.553 50 0 GFAALP CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)nc2ccccc21 ZINC000247989565 209029052 /nfs/dbraw/zinc/02/90/52/209029052.db2.gz KCEDPKKNXPQMEV-LJQANCHMSA-N 2 2 397.567 2.821 50 0 GFAALP CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)nc2ccccc21 ZINC000247989565 209029060 /nfs/dbraw/zinc/02/90/60/209029060.db2.gz KCEDPKKNXPQMEV-LJQANCHMSA-N 2 2 397.567 2.821 50 0 GFAALP CSc1nc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cc(N)[nH+]1 ZINC000095519338 136181088 /nfs/dbraw/zinc/18/10/88/136181088.db2.gz XRWVNKFCTOEHAJ-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)[nH+]1 ZINC000095519338 136181089 /nfs/dbraw/zinc/18/10/89/136181089.db2.gz XRWVNKFCTOEHAJ-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000051760580 570410544 /nfs/dbraw/zinc/41/05/44/570410544.db2.gz UCCQXSMVLOFKCZ-LJQANCHMSA-N 2 2 384.568 2.964 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1cccnc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011664941 570578944 /nfs/dbraw/zinc/57/89/44/570578944.db2.gz UPCHRLIPQPNYAB-JOCHJYFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1cccnc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011664941 570578947 /nfs/dbraw/zinc/57/89/47/570578947.db2.gz UPCHRLIPQPNYAB-JOCHJYFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[N@H+](C)Cc1cccnc1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000011664941 570578951 /nfs/dbraw/zinc/57/89/51/570578951.db2.gz UPCHRLIPQPNYAB-JOCHJYFZSA-N 2 2 380.536 2.679 50 0 GFAALP CN(C(=O)C[N@@H+](C)Cc1cccnc1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000011664941 570578954 /nfs/dbraw/zinc/57/89/54/570578954.db2.gz UPCHRLIPQPNYAB-JOCHJYFZSA-N 2 2 380.536 2.679 50 0 GFAALP CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1cc[nH+]c1 ZINC000011936682 570593918 /nfs/dbraw/zinc/59/39/18/570593918.db2.gz FSKAZFJMDYPRMU-FQEVSTJZSA-N 2 2 384.524 2.695 50 0 GFAALP CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1cc[nH+]c1 ZINC000011936682 570593921 /nfs/dbraw/zinc/59/39/21/570593921.db2.gz FSKAZFJMDYPRMU-FQEVSTJZSA-N 2 2 384.524 2.695 50 0 GFAALP CS(=O)(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000067785641 570791177 /nfs/dbraw/zinc/79/11/77/570791177.db2.gz OJDCVOUJGCTAED-HXUWFJFHSA-N 2 2 379.570 2.617 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071388834 570833028 /nfs/dbraw/zinc/83/30/28/570833028.db2.gz BFUITAIJGGWVJN-KRWDZBQOSA-N 2 2 389.515 2.789 50 0 GFAALP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071388834 570833029 /nfs/dbraw/zinc/83/30/29/570833029.db2.gz BFUITAIJGGWVJN-KRWDZBQOSA-N 2 2 389.515 2.789 50 0 GFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000071730322 570844556 /nfs/dbraw/zinc/84/45/56/570844556.db2.gz NXVAORJKCLSEJE-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccoc3)CC2)C1 ZINC000071730322 570844559 /nfs/dbraw/zinc/84/45/59/570844559.db2.gz NXVAORJKCLSEJE-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426604235 529644463 /nfs/dbraw/zinc/64/44/63/529644463.db2.gz FSKAGZQSZONABH-KRWDZBQOSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426604235 529644468 /nfs/dbraw/zinc/64/44/68/529644468.db2.gz FSKAGZQSZONABH-KRWDZBQOSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)NC[C@@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426604235 529644470 /nfs/dbraw/zinc/64/44/70/529644470.db2.gz FSKAGZQSZONABH-KRWDZBQOSA-N 2 2 398.576 2.945 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)NC[C@@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426604235 529644473 /nfs/dbraw/zinc/64/44/73/529644473.db2.gz FSKAGZQSZONABH-KRWDZBQOSA-N 2 2 398.576 2.945 50 0 GFAALP CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000002886588 206292455 /nfs/dbraw/zinc/29/24/55/206292455.db2.gz IMXSDKBNPVPNPO-UHFFFAOYSA-N 2 2 387.318 2.668 50 0 GFAALP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)C[C@@H](C)O1 ZINC000028875403 207350173 /nfs/dbraw/zinc/35/01/73/207350173.db2.gz QAHOKDIDAUHBSY-IAGOWNOFSA-N 2 2 378.476 2.874 50 0 GFAALP Cc1nc(C[NH+]2CCC3(CN(CCC[N@@H+](C)CC(C)C)C(=O)O3)CC2)co1 ZINC000072419041 208019118 /nfs/dbraw/zinc/01/91/18/208019118.db2.gz QDPSHSRFWKWTQN-UHFFFAOYSA-N 2 2 378.517 2.748 50 0 GFAALP Cc1nc(C[NH+]2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)co1 ZINC000072419041 208019122 /nfs/dbraw/zinc/01/91/22/208019122.db2.gz QDPSHSRFWKWTQN-UHFFFAOYSA-N 2 2 378.517 2.748 50 0 GFAALP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccccc1)C2)Cc1cccnc1 ZINC000095387050 208175266 /nfs/dbraw/zinc/17/52/66/208175266.db2.gz OUWANJIOMVQKPP-FCHUYYIVSA-N 2 2 378.520 2.636 50 0 GFAALP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccccc1)C2)Cc1cccnc1 ZINC000095387050 208175272 /nfs/dbraw/zinc/17/52/72/208175272.db2.gz OUWANJIOMVQKPP-FCHUYYIVSA-N 2 2 378.520 2.636 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2)Cc1cccnc1 ZINC000095387050 208175278 /nfs/dbraw/zinc/17/52/78/208175278.db2.gz OUWANJIOMVQKPP-FCHUYYIVSA-N 2 2 378.520 2.636 50 0 GFAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2)Cc1cccnc1 ZINC000095387050 208175293 /nfs/dbraw/zinc/17/52/93/208175293.db2.gz OUWANJIOMVQKPP-FCHUYYIVSA-N 2 2 378.520 2.636 50 0 GFAALP O[C@@H](COc1cccc(C[NH+]2CCCCCCCC2)c1)C[NH+]1CCOCC1 ZINC000095521674 208219597 /nfs/dbraw/zinc/21/95/97/208219597.db2.gz MTZCMVMCKRXYGS-OAQYLSRUSA-N 2 2 376.541 2.915 50 0 GFAALP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000095521624 208221110 /nfs/dbraw/zinc/22/11/10/208221110.db2.gz AMNLGXCPSWKNPY-RDJZCZTQSA-N 2 2 375.860 2.510 50 0 GFAALP CN(C)c1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095529223 208229146 /nfs/dbraw/zinc/22/91/46/208229146.db2.gz AWOZWCXESPPPBV-LJQANCHMSA-N 2 2 383.540 2.921 50 0 GFAALP Cc1sc2cc(C(=O)NCC[NH+]3CCOCC3)[nH]c2c1C[NH+]1CCCCC1 ZINC000096363760 208310776 /nfs/dbraw/zinc/31/07/76/208310776.db2.gz POMGKXUCKOZICH-UHFFFAOYSA-N 2 2 390.553 2.586 50 0 GFAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000096165805 208281376 /nfs/dbraw/zinc/28/13/76/208281376.db2.gz LDQNDQWQLHWIQH-UHFFFAOYSA-N 2 2 382.516 2.700 50 0 GFAALP CSc1nc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cc(N)[nH+]1 ZINC000095503116 136179936 /nfs/dbraw/zinc/17/99/36/136179936.db2.gz UWCRWTJOOYDBBO-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)[nH+]1 ZINC000095503116 136179937 /nfs/dbraw/zinc/17/99/37/136179937.db2.gz UWCRWTJOOYDBBO-UHFFFAOYSA-N 2 2 381.509 2.805 50 0 GFAALP COc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)c(C)c1C ZINC000106962100 136201706 /nfs/dbraw/zinc/20/17/06/136201706.db2.gz PMBDOTLUMQPOBU-GOSISDBHSA-N 2 2 395.507 2.657 50 0 GFAALP COc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)c(C)c1C ZINC000106962100 136201707 /nfs/dbraw/zinc/20/17/07/136201707.db2.gz PMBDOTLUMQPOBU-GOSISDBHSA-N 2 2 395.507 2.657 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720568 570605410 /nfs/dbraw/zinc/60/54/10/570605410.db2.gz YOBVMNCNIJQHKC-UHFFFAOYSA-N 2 2 378.900 2.908 50 0 GFAALP O[C@@H]1CCN(c2cc[nH+]c(NCc3ccc[nH+]c3N3CCCCCCC3)n2)C1 ZINC000067966445 570799011 /nfs/dbraw/zinc/79/90/11/570799011.db2.gz OHPVZELMFFTJBU-GOSISDBHSA-N 2 2 382.512 2.825 50 0 GFAALP O=C(NCc1nccs1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071758930 570849143 /nfs/dbraw/zinc/84/91/43/570849143.db2.gz NHNBJGZCLUFTDV-GOSISDBHSA-N 2 2 399.564 2.531 50 0 GFAALP O=C(NCc1nccs1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071758930 570849146 /nfs/dbraw/zinc/84/91/46/570849146.db2.gz NHNBJGZCLUFTDV-GOSISDBHSA-N 2 2 399.564 2.531 50 0 GFAALP CC[N@H+](C)Cc1cc2n(n1)CCC[NH+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000072126564 570867544 /nfs/dbraw/zinc/86/75/44/570867544.db2.gz ACKKMQXRNMRPNB-UHFFFAOYSA-N 2 2 379.508 2.593 50 0 GFAALP CC[N@@H+](C)Cc1cc2n(n1)CCC[NH+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000072126564 570867546 /nfs/dbraw/zinc/86/75/46/570867546.db2.gz ACKKMQXRNMRPNB-UHFFFAOYSA-N 2 2 379.508 2.593 50 0 GFAALP CC[NH+](C)Cc1cc2n(n1)CCC[N@H+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000072126564 570867549 /nfs/dbraw/zinc/86/75/49/570867549.db2.gz ACKKMQXRNMRPNB-UHFFFAOYSA-N 2 2 379.508 2.593 50 0 GFAALP CC[NH+](C)Cc1cc2n(n1)CCC[N@@H+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000072126564 570867552 /nfs/dbraw/zinc/86/75/52/570867552.db2.gz ACKKMQXRNMRPNB-UHFFFAOYSA-N 2 2 379.508 2.593 50 0 GFAALP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000045182077 570988346 /nfs/dbraw/zinc/98/83/46/570988346.db2.gz AANLSGPKEPTXJV-UHFFFAOYSA-N 2 2 395.551 2.951 50 0 GFAALP c1ccc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)nc1 ZINC000019810698 207162263 /nfs/dbraw/zinc/16/22/63/207162263.db2.gz GYVXTWJGESOZDA-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)nc1 ZINC000019810698 207162268 /nfs/dbraw/zinc/16/22/68/207162268.db2.gz GYVXTWJGESOZDA-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP COc1ccc(Br)cc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000020220134 207183768 /nfs/dbraw/zinc/18/37/68/207183768.db2.gz DBTACQHFBNCWFW-UHFFFAOYSA-N 2 2 382.346 2.670 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)CC1 ZINC000020451065 207193507 /nfs/dbraw/zinc/19/35/07/207193507.db2.gz SJPKLAUFTLLOCJ-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)CC1 ZINC000020451065 207193510 /nfs/dbraw/zinc/19/35/10/207193510.db2.gz SJPKLAUFTLLOCJ-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc(F)ccc3F)C[C@@H]2CCO)CC1 ZINC000020451065 207193514 /nfs/dbraw/zinc/19/35/14/207193514.db2.gz SJPKLAUFTLLOCJ-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cc(F)ccc3F)C[C@@H]2CCO)CC1 ZINC000020451065 207193516 /nfs/dbraw/zinc/19/35/16/207193516.db2.gz SJPKLAUFTLLOCJ-FQEVSTJZSA-N 2 2 381.511 2.706 50 0 GFAALP CCNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1Cc1cccc2ccccc21 ZINC000020919123 207219377 /nfs/dbraw/zinc/21/93/77/207219377.db2.gz ZFIJTWHNBJLVCK-GGAORHGYSA-N 2 2 394.563 2.603 50 0 GFAALP CCNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1Cc1cccc2ccccc21 ZINC000020919123 207219380 /nfs/dbraw/zinc/21/93/80/207219380.db2.gz ZFIJTWHNBJLVCK-GGAORHGYSA-N 2 2 394.563 2.603 50 0 GFAALP CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OCCn3cc[nH+]c3)cc1)CC2 ZINC000072428022 208022940 /nfs/dbraw/zinc/02/29/40/208022940.db2.gz QRXAUCODZLKNDQ-UHFFFAOYSA-N 2 2 382.508 2.797 50 0 GFAALP COc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091656041 208128033 /nfs/dbraw/zinc/12/80/33/208128033.db2.gz OUJDGPFTPUFDGD-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091656041 208128041 /nfs/dbraw/zinc/12/80/41/208128041.db2.gz OUJDGPFTPUFDGD-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091656041 208128045 /nfs/dbraw/zinc/12/80/45/208128045.db2.gz OUJDGPFTPUFDGD-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091656041 208128053 /nfs/dbraw/zinc/12/80/53/208128053.db2.gz OUJDGPFTPUFDGD-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP C[N@@H+]1CCCCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000095370833 208166193 /nfs/dbraw/zinc/16/61/93/208166193.db2.gz STAOWWQBWYRCIQ-FQEVSTJZSA-N 2 2 377.504 2.613 50 0 GFAALP C[N@H+]1CCCCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000095370833 208166197 /nfs/dbraw/zinc/16/61/97/208166197.db2.gz STAOWWQBWYRCIQ-FQEVSTJZSA-N 2 2 377.504 2.613 50 0 GFAALP COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1[nH]c3ccc(C)c(C)c3[nH+]1)C2 ZINC000095371316 208167497 /nfs/dbraw/zinc/16/74/97/208167497.db2.gz VNKBNQPBUUMZRT-QZTJIDSGSA-N 2 2 384.524 2.682 50 0 GFAALP COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1[nH]c3ccc(C)c(C)c3[nH+]1)C2 ZINC000095371316 208167504 /nfs/dbraw/zinc/16/75/04/208167504.db2.gz VNKBNQPBUUMZRT-QZTJIDSGSA-N 2 2 384.524 2.682 50 0 GFAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](Cc2cccc(F)c2C(F)(F)F)CC1 ZINC000095520758 208221289 /nfs/dbraw/zinc/22/12/89/208221289.db2.gz WXTBMTKFWPRKAN-UHFFFAOYSA-N 2 2 384.377 2.906 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012789 208253082 /nfs/dbraw/zinc/25/30/82/208253082.db2.gz ZMQKDFKMZJAMDT-HSZRJFAPSA-N 2 2 392.547 2.599 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012789 208253089 /nfs/dbraw/zinc/25/30/89/208253089.db2.gz ZMQKDFKMZJAMDT-HSZRJFAPSA-N 2 2 392.547 2.599 50 0 GFAALP CSc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(N)[nH+]1 ZINC000091770224 136176979 /nfs/dbraw/zinc/17/69/79/136176979.db2.gz TYOWOWVQGDLBTC-HNNXBMFYSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]1 ZINC000091770224 136176980 /nfs/dbraw/zinc/17/69/80/136176980.db2.gz TYOWOWVQGDLBTC-HNNXBMFYSA-N 2 2 381.509 2.805 50 0 GFAALP CCc1c[nH+]c(C)nc1N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000091876816 136177249 /nfs/dbraw/zinc/17/72/49/136177249.db2.gz UKNKUXPKQJSNQR-UHFFFAOYSA-N 2 2 392.511 2.903 50 0 GFAALP CCOc1cccc(CN(CC)C(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC000426358138 528644409 /nfs/dbraw/zinc/64/44/09/528644409.db2.gz AVUIUPHHVHCAEN-UHFFFAOYSA-N 2 2 376.545 2.643 50 0 GFAALP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000072158266 537069961 /nfs/dbraw/zinc/06/99/61/537069961.db2.gz PWSTZYVYRZZNET-QGZVFWFLSA-N 2 2 392.507 2.758 50 0 GFAALP CSc1ccc([C@@H]2[NH+]=C(N3CC[NH+](C)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000049765351 570272245 /nfs/dbraw/zinc/27/22/45/570272245.db2.gz BKKBMRIZZZXNRG-QGZVFWFLSA-N 2 2 384.509 2.556 50 0 GFAALP CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000034906776 570339299 /nfs/dbraw/zinc/33/92/99/570339299.db2.gz ARMVZPFIKKZYMG-UHFFFAOYSA-N 2 2 385.556 2.977 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(F)cc2Cl)[nH+]c(C)n1 ZINC000035598071 570400790 /nfs/dbraw/zinc/40/07/90/570400790.db2.gz RVABARFDFUIAHF-UHFFFAOYSA-N 2 2 388.834 2.914 50 0 GFAALP O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071551776 570840158 /nfs/dbraw/zinc/84/01/58/570840158.db2.gz MSMNFASLDDKPAZ-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccoc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071551776 570840164 /nfs/dbraw/zinc/84/01/64/570840164.db2.gz MSMNFASLDDKPAZ-FQEVSTJZSA-N 2 2 382.508 2.667 50 0 GFAALP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000534578888 570901996 /nfs/dbraw/zinc/90/19/96/570901996.db2.gz IIUWBIQTFBVUIJ-HXUWFJFHSA-N 2 2 375.476 2.770 50 0 GFAALP COc1cccc(C[NH2+]C2CCCCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011753796 570961238 /nfs/dbraw/zinc/96/12/38/570961238.db2.gz LESYKIMINXSROZ-HXUWFJFHSA-N 2 2 392.540 2.580 50 0 GFAALP Cn1c[nH+]cc1-c1ccc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000426489628 231226977 /nfs/dbraw/zinc/22/69/77/231226977.db2.gz KTRUYMOGFHMNSR-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP Cn1c[nH+]cc1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000426489628 231226980 /nfs/dbraw/zinc/22/69/80/231226980.db2.gz KTRUYMOGFHMNSR-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2C(F)(F)F)[nH+]cn1 ZINC000072433955 208025772 /nfs/dbraw/zinc/02/57/72/208025772.db2.gz BWYJLFODDOWFRD-UHFFFAOYSA-N 2 2 390.369 2.831 50 0 GFAALP CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120134 208079424 /nfs/dbraw/zinc/07/94/24/208079424.db2.gz SPZLGXCRGDAOCO-OAHLLOKOSA-N 2 2 380.496 2.556 50 0 GFAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091505620 208122706 /nfs/dbraw/zinc/12/27/06/208122706.db2.gz DHSJGQGJJMWSPA-HZPDHXFCSA-N 2 2 377.916 2.502 50 0 GFAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091505620 208122711 /nfs/dbraw/zinc/12/27/11/208122711.db2.gz DHSJGQGJJMWSPA-HZPDHXFCSA-N 2 2 377.916 2.502 50 0 GFAALP Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095371422 208167331 /nfs/dbraw/zinc/16/73/31/208167331.db2.gz MQDIDJSYZOMNLR-OAQYLSRUSA-N 2 2 378.520 2.815 50 0 GFAALP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397368 534413694 /nfs/dbraw/zinc/41/36/94/534413694.db2.gz IVPKBFWBMAONBT-OAQYLSRUSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397368 534413698 /nfs/dbraw/zinc/41/36/98/534413698.db2.gz IVPKBFWBMAONBT-OAQYLSRUSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397368 534413705 /nfs/dbraw/zinc/41/37/05/534413705.db2.gz IVPKBFWBMAONBT-OAQYLSRUSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397368 534413711 /nfs/dbraw/zinc/41/37/11/534413711.db2.gz IVPKBFWBMAONBT-OAQYLSRUSA-N 2 2 377.479 2.921 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCC3)C2)nc[nH+]1 ZINC000065245127 535520280 /nfs/dbraw/zinc/52/02/80/535520280.db2.gz HDAVCEHAYSBFRG-SFHVURJKSA-N 2 2 388.560 2.507 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCC3)C2)[nH+]cn1 ZINC000065245127 535520285 /nfs/dbraw/zinc/52/02/85/535520285.db2.gz HDAVCEHAYSBFRG-SFHVURJKSA-N 2 2 388.560 2.507 50 0 GFAALP Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000005111984 570429764 /nfs/dbraw/zinc/42/97/64/570429764.db2.gz CBUPVGYWCGHUAN-OAQYLSRUSA-N 2 2 377.488 2.881 50 0 GFAALP CCc1[nH]c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000011933601 570593032 /nfs/dbraw/zinc/59/30/32/570593032.db2.gz FSBKWQBSAQYLKV-SFHVURJKSA-N 3 2 389.588 2.825 50 0 GFAALP CCc1[nH]c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000011933601 570593035 /nfs/dbraw/zinc/59/30/35/570593035.db2.gz FSBKWQBSAQYLKV-SFHVURJKSA-N 3 2 389.588 2.825 50 0 GFAALP COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012444933 570665549 /nfs/dbraw/zinc/66/55/49/570665549.db2.gz FAMPUNVYUUUTLN-QFIPXVFZSA-N 2 2 382.508 2.752 50 0 GFAALP COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012444933 570665551 /nfs/dbraw/zinc/66/55/51/570665551.db2.gz FAMPUNVYUUUTLN-QFIPXVFZSA-N 2 2 382.508 2.752 50 0 GFAALP C[C@H](c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1)[NH+]1CCOCC1 ZINC000065452056 570768845 /nfs/dbraw/zinc/76/88/45/570768845.db2.gz MWNYVHDWVPQEOL-LJQANCHMSA-N 2 2 380.536 2.889 50 0 GFAALP C[C@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCOCC1 ZINC000065452056 570768852 /nfs/dbraw/zinc/76/88/52/570768852.db2.gz MWNYVHDWVPQEOL-LJQANCHMSA-N 2 2 380.536 2.889 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3F)CC2)C1 ZINC000067820066 570793111 /nfs/dbraw/zinc/79/31/11/570793111.db2.gz LEZGTEWDTQXOGE-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3F)CC2)C1 ZINC000067820066 570793115 /nfs/dbraw/zinc/79/31/15/570793115.db2.gz LEZGTEWDTQXOGE-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1)N1CCCC1 ZINC000071757152 570848656 /nfs/dbraw/zinc/84/86/56/570848656.db2.gz GIWHUPLZGNOIGA-IBGZPJMESA-N 2 2 399.535 2.714 50 0 GFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1)N1CCCC1 ZINC000071757152 570848657 /nfs/dbraw/zinc/84/86/57/570848657.db2.gz GIWHUPLZGNOIGA-IBGZPJMESA-N 2 2 399.535 2.714 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 ZINC000426503253 231231026 /nfs/dbraw/zinc/23/10/26/231231026.db2.gz JFZBDELHYNJQHP-MRXNPFEDSA-N 2 2 385.512 2.721 50 0 GFAALP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)CN1C1Cc2ccccc2C1 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/nfs/dbraw/zinc/02/45/26/209024526.db2.gz UILFHKLJCPOVIQ-IZAXUBKRSA-N 2 2 385.487 2.558 50 0 GFAALP COCCn1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244840201 209024529 /nfs/dbraw/zinc/02/45/29/209024529.db2.gz UILFHKLJCPOVIQ-IZAXUBKRSA-N 2 2 385.487 2.558 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]cn1 ZINC000072434085 136170424 /nfs/dbraw/zinc/17/04/24/136170424.db2.gz YVKURCNLOBFKBU-UHFFFAOYSA-N 2 2 390.491 2.642 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)[nH+]c(C)n2)c1C ZINC000072437766 136170547 /nfs/dbraw/zinc/17/05/47/136170547.db2.gz LRNTYJDLBCPXBP-UHFFFAOYSA-N 2 2 394.454 2.689 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)[nH+]c(C)n2)c1C ZINC000082230461 136174433 /nfs/dbraw/zinc/17/44/33/136174433.db2.gz GKPNGUDNDDIAJS-UHFFFAOYSA-N 2 2 390.491 2.858 50 0 GFAALP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)[nH+]c2ccccc12 ZINC000091365038 136176357 /nfs/dbraw/zinc/17/63/57/136176357.db2.gz PNDVNJBVBTYYRV-KNQAVFIVSA-N 2 2 382.552 2.758 50 0 GFAALP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1 ZINC000097165409 136188215 /nfs/dbraw/zinc/18/82/15/136188215.db2.gz VKROAVVCWHPILJ-QGZVFWFLSA-N 2 2 388.537 2.524 50 0 GFAALP CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c(CC)[nH+]c2C)C[C@@H]1CCO ZINC000107100230 570308718 /nfs/dbraw/zinc/30/87/18/570308718.db2.gz SLDHKSVEPHPATE-IBGZPJMESA-N 2 2 386.540 2.748 50 0 GFAALP CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c(CC)[nH+]c2C)C[C@@H]1CCO ZINC000107100230 570308721 /nfs/dbraw/zinc/30/87/21/570308721.db2.gz SLDHKSVEPHPATE-IBGZPJMESA-N 2 2 386.540 2.748 50 0 GFAALP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccc(OC)c(C)c2C)[C@H](CCO)C1 ZINC000039543034 570593257 /nfs/dbraw/zinc/59/32/57/570593257.db2.gz FEQALAXBUNAZGR-HXUWFJFHSA-N 2 2 386.540 2.597 50 0 GFAALP CCn1cc[nH+]c1CN1CC[N@@H+](Cc2ccc(OC)c(C)c2C)[C@H](CCO)C1 ZINC000039543034 570593259 /nfs/dbraw/zinc/59/32/59/570593259.db2.gz FEQALAXBUNAZGR-HXUWFJFHSA-N 2 2 386.540 2.597 50 0 GFAALP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000011116915 570647295 /nfs/dbraw/zinc/64/72/95/570647295.db2.gz MJHCBBUJIMNKPY-UHFFFAOYSA-N 2 2 394.519 2.834 50 0 GFAALP Cc1ccc(-c2cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)[nH]n2)cc1C ZINC000189195311 570747179 /nfs/dbraw/zinc/74/71/79/570747179.db2.gz RZSOAINKXCCTQA-UHFFFAOYSA-N 2 2 395.551 2.982 50 0 GFAALP O=C(Nc1cnns1)c1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065452411 570769235 /nfs/dbraw/zinc/76/92/35/570769235.db2.gz YXUFAOOWBPUQGS-INIZCTEOSA-N 2 2 382.493 2.899 50 0 GFAALP O=C(Nc1cnns1)c1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065452411 570769237 /nfs/dbraw/zinc/76/92/37/570769237.db2.gz YXUFAOOWBPUQGS-INIZCTEOSA-N 2 2 382.493 2.899 50 0 GFAALP CC[N@@H+]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)C1 ZINC000067514251 570781046 /nfs/dbraw/zinc/78/10/46/570781046.db2.gz LCGFLSJHWJHFAF-NRFANRHFSA-N 2 2 378.520 2.992 50 0 GFAALP CC[N@H+]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)C1 ZINC000067514251 570781049 /nfs/dbraw/zinc/78/10/49/570781049.db2.gz LCGFLSJHWJHFAF-NRFANRHFSA-N 2 2 378.520 2.992 50 0 GFAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067689138 570786306 /nfs/dbraw/zinc/78/63/06/570786306.db2.gz LPBAENZSPLSMCX-KRWDZBQOSA-N 2 2 398.898 2.729 50 0 GFAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827309 570820192 /nfs/dbraw/zinc/82/01/92/570820192.db2.gz OTLUOAUMLKXYNA-IBGZPJMESA-N 2 2 379.508 2.621 50 0 GFAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827309 570820194 /nfs/dbraw/zinc/82/01/94/570820194.db2.gz OTLUOAUMLKXYNA-IBGZPJMESA-N 2 2 379.508 2.621 50 0 GFAALP O=C(NCc1ccoc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071551777 570840315 /nfs/dbraw/zinc/84/03/15/570840315.db2.gz MSMNFASLDDKPAZ-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccoc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071551777 570840320 /nfs/dbraw/zinc/84/03/20/570840320.db2.gz MSMNFASLDDKPAZ-HXUWFJFHSA-N 2 2 382.508 2.667 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3F)CC2)C1 ZINC000071776502 570853277 /nfs/dbraw/zinc/85/32/77/570853277.db2.gz YTGHKLBAUNWEMI-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3F)CC2)C1 ZINC000071776502 570853282 /nfs/dbraw/zinc/85/32/82/570853282.db2.gz YTGHKLBAUNWEMI-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP Cc1ccc(CN2CC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2=O)cc1 ZINC000072142014 570869900 /nfs/dbraw/zinc/86/99/00/570869900.db2.gz TYSOUUSHVGNWDV-UHFFFAOYSA-N 2 2 381.520 2.780 50 0 GFAALP Cc1ccc(CN2CC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2=O)cc1 ZINC000072142014 570869904 /nfs/dbraw/zinc/86/99/04/570869904.db2.gz TYSOUUSHVGNWDV-UHFFFAOYSA-N 2 2 381.520 2.780 50 0 GFAALP CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)([NH+](C)C)CC1 ZINC000534576239 570901298 /nfs/dbraw/zinc/90/12/98/570901298.db2.gz UWUKNJRGAXMELT-KRWDZBQOSA-N 2 2 376.545 2.814 50 0 GFAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492564 212029401 /nfs/dbraw/zinc/02/94/01/212029401.db2.gz ZFMIMCUNEPGSQO-UHFFFAOYSA-N 2 2 399.926 2.708 50 0 GFAALP CC(C)c1nc(C[N@@H+]2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@H](CO)C2)co1 ZINC000097514445 211364178 /nfs/dbraw/zinc/36/41/78/211364178.db2.gz SRRCNEBDZVXFDQ-KRWDZBQOSA-N 2 2 387.528 2.618 50 0 GFAALP CC(C)c1nc(C[N@H+]2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@H](CO)C2)co1 ZINC000097514445 211364182 /nfs/dbraw/zinc/36/41/82/211364182.db2.gz SRRCNEBDZVXFDQ-KRWDZBQOSA-N 2 2 387.528 2.618 50 0 GFAALP Cc1nc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)n(C)c1C ZINC000096153390 211312319 /nfs/dbraw/zinc/31/23/19/211312319.db2.gz BLYAIAMMWBAESN-UHFFFAOYSA-N 2 2 394.527 2.588 50 0 GFAALP COc1ccc(CNC(=O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000095967493 211288729 /nfs/dbraw/zinc/28/87/29/211288729.db2.gz HKDWICIJSDXIRN-UHFFFAOYSA-N 2 2 399.510 2.747 50 0 GFAALP CC(C)(C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1)[NH+]1CCCC1 ZINC000095499422 211253622 /nfs/dbraw/zinc/25/36/22/211253622.db2.gz HYYMXNWQNWFCPM-MRXNPFEDSA-N 2 2 387.553 2.968 50 0 GFAALP c1cc2c(nc[nH+]c2N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]1 ZINC000095356364 211221203 /nfs/dbraw/zinc/22/12/03/211221203.db2.gz GHOAGHKTAARPOF-PWIZWCRZSA-N 2 2 389.459 2.753 50 0 GFAALP C[C@H](CCC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1)[NH+]1CCOCC1 ZINC000091830710 211207821 /nfs/dbraw/zinc/20/78/21/211207821.db2.gz WSQCFAWNMHLQJK-GOSISDBHSA-N 2 2 388.556 2.890 50 0 GFAALP CSCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082138544 211161794 /nfs/dbraw/zinc/16/17/94/211161794.db2.gz OGLCGVWMNOXDCN-IBGZPJMESA-N 2 2 390.597 2.579 50 0 GFAALP CSCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082138544 211161799 /nfs/dbraw/zinc/16/17/99/211161799.db2.gz OGLCGVWMNOXDCN-IBGZPJMESA-N 2 2 390.597 2.579 50 0 GFAALP COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021917878 210399969 /nfs/dbraw/zinc/39/99/69/210399969.db2.gz ZHSLICYOAYHXHI-IBGZPJMESA-N 2 2 381.520 2.860 50 0 GFAALP COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021917878 210399974 /nfs/dbraw/zinc/39/99/74/210399974.db2.gz ZHSLICYOAYHXHI-IBGZPJMESA-N 2 2 381.520 2.860 50 0 GFAALP c1cn(-c2ccc(N3CCC([NH2+]CCn4nnc5ccccc54)CC3)cc2)c[nH+]1 ZINC000020782805 210361512 /nfs/dbraw/zinc/36/15/12/210361512.db2.gz UJOJMLOWIVEROK-UHFFFAOYSA-N 2 2 387.491 2.876 50 0 GFAALP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)on2)C1 ZINC000011937079 221139878 /nfs/dbraw/zinc/13/98/78/221139878.db2.gz APNJZDMOWDRONV-MRXNPFEDSA-N 2 2 381.480 2.937 50 0 GFAALP CC[NH+]1CCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426678104 529135778 /nfs/dbraw/zinc/13/57/78/529135778.db2.gz LUXNPVNSIQGESV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP CC[NH+]1CCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426678104 529135780 /nfs/dbraw/zinc/13/57/80/529135780.db2.gz LUXNPVNSIQGESV-UHFFFAOYSA-N 2 2 388.537 2.689 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)CC1 ZINC000104527098 570259821 /nfs/dbraw/zinc/25/98/21/570259821.db2.gz RKHRELRYMJGRHN-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)CC1 ZINC000104527098 570259823 /nfs/dbraw/zinc/25/98/23/570259823.db2.gz RKHRELRYMJGRHN-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CCO)CC1 ZINC000104527098 570259826 /nfs/dbraw/zinc/25/98/26/570259826.db2.gz RKHRELRYMJGRHN-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CCO)CC1 ZINC000104527098 570259829 /nfs/dbraw/zinc/25/98/29/570259829.db2.gz RKHRELRYMJGRHN-LJQANCHMSA-N 2 2 381.511 2.706 50 0 GFAALP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](Cc3ccoc3)CC2)CC1 ZINC000012303701 570637762 /nfs/dbraw/zinc/63/77/62/570637762.db2.gz HNVWNDQKJZCNJM-UHFFFAOYSA-N 2 2 382.508 2.667 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562338 570782013 /nfs/dbraw/zinc/78/20/13/570782013.db2.gz MIUBQDRLUSYFQE-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562338 570782014 /nfs/dbraw/zinc/78/20/14/570782014.db2.gz MIUBQDRLUSYFQE-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP CCn1nc(C)c(C[N@@H+]2CCOc3ccc(C4(O)CC[NH+](C)CC4)cc3C2)c1C ZINC000299773934 212034634 /nfs/dbraw/zinc/03/46/34/212034634.db2.gz GXRZMZUGJRGYRE-UHFFFAOYSA-N 2 2 398.551 2.828 50 0 GFAALP CCn1nc(C)c(C[N@H+]2CCOc3ccc(C4(O)CC[NH+](C)CC4)cc3C2)c1C ZINC000299773934 212034639 /nfs/dbraw/zinc/03/46/39/212034639.db2.gz GXRZMZUGJRGYRE-UHFFFAOYSA-N 2 2 398.551 2.828 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095511584 211261795 /nfs/dbraw/zinc/26/17/95/211261795.db2.gz JXHUUOZEPIOAEA-QGZVFWFLSA-N 2 2 384.480 2.583 50 0 GFAALP O=C(C[NH+]1CCCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095505070 211256839 /nfs/dbraw/zinc/25/68/39/211256839.db2.gz ZBLZQWCQFGQKOO-FQEVSTJZSA-N 2 2 381.524 2.908 50 0 GFAALP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095502779 211255322 /nfs/dbraw/zinc/25/53/22/211255322.db2.gz WJMGHBCEHZACSI-KRWDZBQOSA-N 2 2 387.553 2.970 50 0 GFAALP C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091665821 211204439 /nfs/dbraw/zinc/20/44/39/211204439.db2.gz FLNKAGZAHLHYJU-GOSISDBHSA-N 2 2 381.524 2.764 50 0 GFAALP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079474095 211156841 /nfs/dbraw/zinc/15/68/41/211156841.db2.gz SAFKUIUZYFNLQU-GOSISDBHSA-N 2 2 399.560 2.629 50 0 GFAALP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079474095 211156845 /nfs/dbraw/zinc/15/68/45/211156845.db2.gz SAFKUIUZYFNLQU-GOSISDBHSA-N 2 2 399.560 2.629 50 0 GFAALP C[NH+]1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3cc4c(cc32)OCO4)CC1 ZINC000021522503 210383819 /nfs/dbraw/zinc/38/38/19/210383819.db2.gz VCNJFVQIGYQZOS-UHFFFAOYSA-N 2 2 375.428 2.946 50 0 GFAALP Cc1cc(N2CCC([NH2+]Cc3nnc(N)s3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096137907 136184371 /nfs/dbraw/zinc/18/43/71/136184371.db2.gz XTYYKNULWXFAOT-UHFFFAOYSA-N 2 2 381.509 2.644 50 0 GFAALP [NH3+]CCCOc1ccc(F)cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000426647333 534617166 /nfs/dbraw/zinc/61/71/66/534617166.db2.gz RNZUJIGWWFYYMM-UHFFFAOYSA-N 2 2 377.485 2.573 50 0 GFAALP CCOc1ccccc1C[N@@H+]1CCc2nc(N3CC[NH+](CC)CC3)ncc2C1 ZINC000015779434 570243660 /nfs/dbraw/zinc/24/36/60/570243660.db2.gz TYVOCCKWDAQVAN-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CCOc1ccccc1C[N@H+]1CCc2nc(N3CC[NH+](CC)CC3)ncc2C1 ZINC000015779434 570243664 /nfs/dbraw/zinc/24/36/64/570243664.db2.gz TYVOCCKWDAQVAN-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021917882 570299302 /nfs/dbraw/zinc/29/93/02/570299302.db2.gz ZHSLICYOAYHXHI-LJQANCHMSA-N 2 2 381.520 2.860 50 0 GFAALP COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021917882 570299303 /nfs/dbraw/zinc/29/93/03/570299303.db2.gz ZHSLICYOAYHXHI-LJQANCHMSA-N 2 2 381.520 2.860 50 0 GFAALP c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851586 570331489 /nfs/dbraw/zinc/33/14/89/570331489.db2.gz CBWPKQRMQGJTMP-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP c1cc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851586 570331494 /nfs/dbraw/zinc/33/14/94/570331494.db2.gz CBWPKQRMQGJTMP-OAQYLSRUSA-N 2 2 394.519 2.593 50 0 GFAALP CC[NH+](CC)CCCn1c(C)c(C)c2c1ncnc2NCC[NH+]1CCOCC1 ZINC000005346893 570561515 /nfs/dbraw/zinc/56/15/15/570561515.db2.gz WBINPDFFHJVXJJ-UHFFFAOYSA-N 2 2 388.560 2.524 50 0 GFAALP CO[C@@H](C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1)c1ccc(Cl)cc1 ZINC000225770810 570615261 /nfs/dbraw/zinc/61/52/61/570615261.db2.gz UIKCVGCDPCZBEE-KRWDZBQOSA-N 2 2 375.904 2.706 50 0 GFAALP CCCCc1nc(C[NH+]2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)c[nH]1 ZINC000012300397 570635947 /nfs/dbraw/zinc/63/59/47/570635947.db2.gz JNBMEMXUMKFDRM-UHFFFAOYSA-N 2 2 389.588 2.909 50 0 GFAALP CCCCc1ncc(C[NH+]2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000012300397 570635951 /nfs/dbraw/zinc/63/59/51/570635951.db2.gz JNBMEMXUMKFDRM-UHFFFAOYSA-N 2 2 389.588 2.909 50 0 GFAALP Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012588373 570686175 /nfs/dbraw/zinc/68/61/75/570686175.db2.gz LFQDQSKPGLEHAK-KRWDZBQOSA-N 2 2 379.932 2.702 50 0 GFAALP Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012588373 570686178 /nfs/dbraw/zinc/68/61/78/570686178.db2.gz LFQDQSKPGLEHAK-KRWDZBQOSA-N 2 2 379.932 2.702 50 0 GFAALP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C23CCCCC3)cc1 ZINC000065428483 570768044 /nfs/dbraw/zinc/76/80/44/570768044.db2.gz QBCBYDQBCZUMPN-UHFFFAOYSA-N 2 2 381.480 2.555 50 0 GFAALP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C23CCCCC3)cc1 ZINC000065428483 570768046 /nfs/dbraw/zinc/76/80/46/570768046.db2.gz QBCBYDQBCZUMPN-UHFFFAOYSA-N 2 2 381.480 2.555 50 0 GFAALP COc1cccc(C[NH2+]C2CCCCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011753795 570961171 /nfs/dbraw/zinc/96/11/71/570961171.db2.gz LESYKIMINXSROZ-FQEVSTJZSA-N 2 2 392.540 2.580 50 0 GFAALP CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1C ZINC000426478126 231226290 /nfs/dbraw/zinc/22/62/90/231226290.db2.gz PUDPVIQQNIVUMJ-SFHVURJKSA-N 2 2 385.560 2.624 50 0 GFAALP Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[N@H+](Cc3ccncc3)CC2)cc1 ZINC000426549187 231239631 /nfs/dbraw/zinc/23/96/31/231239631.db2.gz QJTTXOIOLSRFLG-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000426549187 231239634 /nfs/dbraw/zinc/23/96/34/231239634.db2.gz QJTTXOIOLSRFLG-UHFFFAOYSA-N 2 2 375.476 2.830 50 0 GFAALP CC[C@H]1C[N@H+](CC(=O)NCC[C@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771514 212035600 /nfs/dbraw/zinc/03/56/00/212035600.db2.gz PXHRDUSIZPMQND-MSOLQXFVSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[N@@H+](CC(=O)NCC[C@H]2CCC[NH+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771514 212035603 /nfs/dbraw/zinc/03/56/03/212035603.db2.gz PXHRDUSIZPMQND-MSOLQXFVSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[NH+](CC(=O)NCC[C@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771514 212035605 /nfs/dbraw/zinc/03/56/05/212035605.db2.gz PXHRDUSIZPMQND-MSOLQXFVSA-N 2 2 379.932 2.914 50 0 GFAALP CC[C@H]1C[NH+](CC(=O)NCC[C@H]2CCC[N@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771514 212035609 /nfs/dbraw/zinc/03/56/09/212035609.db2.gz PXHRDUSIZPMQND-MSOLQXFVSA-N 2 2 379.932 2.914 50 0 GFAALP O=C1CCC2(CC[NH+](C3CSCCSC3)CC2)CN1CCc1c[nH+]c[nH]1 ZINC000091475621 211194079 /nfs/dbraw/zinc/19/40/79/211194079.db2.gz XNLUTXVNOFEJAF-UHFFFAOYSA-N 2 2 394.610 2.505 50 0 GFAALP O=C1CCC2(CC[NH+](C3CSCCSC3)CC2)CN1CCc1c[nH]c[nH+]1 ZINC000091475621 211194081 /nfs/dbraw/zinc/19/40/81/211194081.db2.gz XNLUTXVNOFEJAF-UHFFFAOYSA-N 2 2 394.610 2.505 50 0 GFAALP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC000072474948 211123210 /nfs/dbraw/zinc/12/32/10/211123210.db2.gz RERWOSHCJHAQDU-OXJNMPFZSA-N 2 2 386.471 2.613 50 0 GFAALP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC000072474948 211123214 /nfs/dbraw/zinc/12/32/14/211123214.db2.gz RERWOSHCJHAQDU-OXJNMPFZSA-N 2 2 386.471 2.613 50 0 GFAALP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000072474948 211123217 /nfs/dbraw/zinc/12/32/17/211123217.db2.gz RERWOSHCJHAQDU-OXJNMPFZSA-N 2 2 386.471 2.613 50 0 GFAALP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000072474948 211123222 /nfs/dbraw/zinc/12/32/22/211123222.db2.gz RERWOSHCJHAQDU-OXJNMPFZSA-N 2 2 386.471 2.613 50 0 GFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752673 211056783 /nfs/dbraw/zinc/05/67/83/211056783.db2.gz PQFWWDWNZLMSDI-IBGZPJMESA-N 2 2 388.531 2.719 50 0 GFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752673 211056788 /nfs/dbraw/zinc/05/67/88/211056788.db2.gz PQFWWDWNZLMSDI-IBGZPJMESA-N 2 2 388.531 2.719 50 0 GFAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@H]2CCC[N@@H+]2CCCn2cccn2)s1 ZINC000020866763 210365157 /nfs/dbraw/zinc/36/51/57/210365157.db2.gz BQMMBMHZOOYTPN-OAHLLOKOSA-N 2 2 384.509 2.825 50 0 GFAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@H]2CCC[N@H+]2CCCn2cccn2)s1 ZINC000020866763 210365159 /nfs/dbraw/zinc/36/51/59/210365159.db2.gz BQMMBMHZOOYTPN-OAHLLOKOSA-N 2 2 384.509 2.825 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)CC1 ZINC000020599735 210351033 /nfs/dbraw/zinc/35/10/33/210351033.db2.gz UVSQEFISMDOTDA-IBGZPJMESA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)CC1 ZINC000020599735 210351036 /nfs/dbraw/zinc/35/10/36/210351036.db2.gz UVSQEFISMDOTDA-IBGZPJMESA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)CC1 ZINC000020599735 210351040 /nfs/dbraw/zinc/35/10/40/210351040.db2.gz UVSQEFISMDOTDA-IBGZPJMESA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)CC1 ZINC000020599735 210351046 /nfs/dbraw/zinc/35/10/46/210351046.db2.gz UVSQEFISMDOTDA-IBGZPJMESA-N 2 2 395.975 2.787 50 0 GFAALP Nc1cccc(-c2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)[nH+]1 ZINC000426387907 534738485 /nfs/dbraw/zinc/73/84/85/534738485.db2.gz QHFFMFUOSUZHGP-KRWDZBQOSA-N 2 2 380.492 2.515 50 0 GFAALP CCc1c[nH+]c(C)nc1N1CCC([NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000095501336 536019927 /nfs/dbraw/zinc/01/99/27/536019927.db2.gz CFMAWLUEOABBRN-UHFFFAOYSA-N 2 2 381.524 2.844 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cs1 ZINC000022932816 570337537 /nfs/dbraw/zinc/33/75/37/570337537.db2.gz NCULOWVFXIKVLA-FQEVSTJZSA-N 2 2 393.597 2.692 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cs1 ZINC000022932816 570337538 /nfs/dbraw/zinc/33/75/38/570337538.db2.gz NCULOWVFXIKVLA-FQEVSTJZSA-N 2 2 393.597 2.692 50 0 GFAALP CC[NH+]1CCN(C(=S)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)CC1 ZINC000004969816 570384593 /nfs/dbraw/zinc/38/45/93/570384593.db2.gz WPVVDTPWPHLMNY-UHFFFAOYSA-N 2 2 399.564 2.714 50 0 GFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=[NH2+] ZINC000004859506 570413414 /nfs/dbraw/zinc/41/34/14/570413414.db2.gz GYKBQIPGEJYPNV-SFHVURJKSA-N 2 2 382.508 2.704 50 0 GFAALP COCCn1c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539885 570729706 /nfs/dbraw/zinc/72/97/06/570729706.db2.gz OPZWIXFRGNJHIB-SAZUREKKSA-N 2 2 375.904 2.562 50 0 GFAALP Cn1c(C(=O)NCC[NH+]2CCCCC2)cc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000065211136 570730450 /nfs/dbraw/zinc/73/04/50/570730450.db2.gz MOZJDRLXIHQYAM-UHFFFAOYSA-N 2 2 398.526 2.938 50 0 GFAALP Cn1c(C(=O)NCC[NH+]2CCCCC2)cc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000065211136 570730452 /nfs/dbraw/zinc/73/04/52/570730452.db2.gz MOZJDRLXIHQYAM-UHFFFAOYSA-N 2 2 398.526 2.938 50 0 GFAALP O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015444007 210158841 /nfs/dbraw/zinc/15/88/41/210158841.db2.gz CPYCANSMVKFZGL-INIZCTEOSA-N 2 2 385.430 2.732 50 0 GFAALP O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015444007 210158847 /nfs/dbraw/zinc/15/88/47/210158847.db2.gz CPYCANSMVKFZGL-INIZCTEOSA-N 2 2 385.430 2.732 50 0 GFAALP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3nc4ncccn4n3)CC2)cc1 ZINC000095523783 211269586 /nfs/dbraw/zinc/26/95/86/211269586.db2.gz DKTPZLKCPDVHQP-UHFFFAOYSA-N 2 2 394.523 2.519 50 0 GFAALP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3nc4ncccn4n3)CC2)cc1 ZINC000095523783 211269590 /nfs/dbraw/zinc/26/95/90/211269590.db2.gz DKTPZLKCPDVHQP-UHFFFAOYSA-N 2 2 394.523 2.519 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000095503083 211255860 /nfs/dbraw/zinc/25/58/60/211255860.db2.gz MIAXXYUITRPXRN-QGZVFWFLSA-N 3 2 387.528 2.509 50 0 GFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760419 211057673 /nfs/dbraw/zinc/05/76/73/211057673.db2.gz SSRBBINJZMQWJI-FQEVSTJZSA-N 2 2 385.552 2.864 50 0 GFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760419 211057677 /nfs/dbraw/zinc/05/76/77/211057677.db2.gz SSRBBINJZMQWJI-FQEVSTJZSA-N 2 2 385.552 2.864 50 0 GFAALP Cc1nc(C2CC[NH2+]CC2)cc(N2CCc3[nH+]c[nH]c3[C@H]2c2cccnc2)n1 ZINC000067821518 211022944 /nfs/dbraw/zinc/02/29/44/211022944.db2.gz OAEBWFFSGCPSSC-OAQYLSRUSA-N 2 2 375.480 2.522 50 0 GFAALP O=C(CCC1CC[NH+](CCc2[nH]cc[nH+]2)CC1)N1CCN(c2ccccc2)CC1 ZINC000095504943 136180139 /nfs/dbraw/zinc/18/01/39/136180139.db2.gz WPGRJGIMCLWAJA-UHFFFAOYSA-N 2 2 395.551 2.793 50 0 GFAALP COCc1nc(C2CC([NH3+])C2)cc(N(C)CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000223863116 570487500 /nfs/dbraw/zinc/48/75/00/570487500.db2.gz VBFDUKRGQABRJZ-UHFFFAOYSA-N 2 2 380.496 2.691 50 0 GFAALP COCc1nc(C2CC([NH3+])C2)cc(N(C)CCc2[nH]c3cccc(C)c3[nH+]2)n1 ZINC000223863116 570487503 /nfs/dbraw/zinc/48/75/03/570487503.db2.gz VBFDUKRGQABRJZ-UHFFFAOYSA-N 2 2 380.496 2.691 50 0 GFAALP Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012588367 570686155 /nfs/dbraw/zinc/68/61/55/570686155.db2.gz LFQDQSKPGLEHAK-QGZVFWFLSA-N 2 2 379.932 2.702 50 0 GFAALP Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012588367 570686157 /nfs/dbraw/zinc/68/61/57/570686157.db2.gz LFQDQSKPGLEHAK-QGZVFWFLSA-N 2 2 379.932 2.702 50 0 GFAALP CC[C@@H]([NH2+]Cc1ccccc1OCCCN1CC[NH+](C)CC1)c1ccnn1C ZINC000055369679 570692781 /nfs/dbraw/zinc/69/27/81/570692781.db2.gz VUBAJLFBQJROGR-HXUWFJFHSA-N 2 2 385.556 2.677 50 0 GFAALP CC[C@@H]([NH2+]Cc1ccccc1OCCC[NH+]1CCN(C)CC1)c1ccnn1C ZINC000055369679 570692788 /nfs/dbraw/zinc/69/27/88/570692788.db2.gz VUBAJLFBQJROGR-HXUWFJFHSA-N 2 2 385.556 2.677 50 0 GFAALP COc1ccccc1C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C ZINC000244741875 570695721 /nfs/dbraw/zinc/69/57/21/570695721.db2.gz NYGRTRVREIQCPJ-UHFFFAOYSA-N 2 2 381.520 2.780 50 0 GFAALP COc1ccccc1C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C ZINC000244741875 570695726 /nfs/dbraw/zinc/69/57/26/570695726.db2.gz NYGRTRVREIQCPJ-UHFFFAOYSA-N 2 2 381.520 2.780 50 0 GFAALP Cc1cc(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)[nH+]1 ZINC000065385915 570764024 /nfs/dbraw/zinc/76/40/24/570764024.db2.gz ABAKFIAEPBSPHR-IBGZPJMESA-N 2 2 380.492 2.956 50 0 GFAALP Cc1cc(C)c(NC(=O)c2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)[nH+]1 ZINC000065385915 570764029 /nfs/dbraw/zinc/76/40/29/570764029.db2.gz ABAKFIAEPBSPHR-IBGZPJMESA-N 2 2 380.492 2.956 50 0 GFAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827288 570820103 /nfs/dbraw/zinc/82/01/03/570820103.db2.gz OTLUOAUMLKXYNA-LJQANCHMSA-N 2 2 379.508 2.621 50 0 GFAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827288 570820106 /nfs/dbraw/zinc/82/01/06/570820106.db2.gz OTLUOAUMLKXYNA-LJQANCHMSA-N 2 2 379.508 2.621 50 0 GFAALP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299788115 212039639 /nfs/dbraw/zinc/03/96/39/212039639.db2.gz RQOQTCQZKRHNLZ-RDJZCZTQSA-N 2 2 377.876 2.755 50 0 GFAALP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299788115 212039642 /nfs/dbraw/zinc/03/96/42/212039642.db2.gz RQOQTCQZKRHNLZ-RDJZCZTQSA-N 2 2 377.876 2.755 50 0 GFAALP C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096007197 211294474 /nfs/dbraw/zinc/29/44/74/211294474.db2.gz CLEUNMAFXPTLEO-INIZCTEOSA-N 2 2 384.505 2.973 50 0 GFAALP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000096141384 211308330 /nfs/dbraw/zinc/30/83/30/211308330.db2.gz SWMKKMVMMXBDMO-OAQYLSRUSA-N 2 2 380.492 2.697 50 0 GFAALP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000095519960 211266779 /nfs/dbraw/zinc/26/67/79/211266779.db2.gz IQFXOOQTOAVLOL-FQEVSTJZSA-N 2 2 388.483 2.530 50 0 GFAALP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000095519960 211266783 /nfs/dbraw/zinc/26/67/83/211266783.db2.gz IQFXOOQTOAVLOL-FQEVSTJZSA-N 2 2 388.483 2.530 50 0 GFAALP O=C(CCCn1cc[nH+]c1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095510874 211261841 /nfs/dbraw/zinc/26/18/41/211261841.db2.gz IMDQLHCIIUCEEA-UHFFFAOYSA-N 2 2 378.480 2.709 50 0 GFAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cc3c(cc1C)OCCO3)CC2 ZINC000095511434 211261450 /nfs/dbraw/zinc/26/14/50/211261450.db2.gz ZZXMCSWLUNVPBC-UHFFFAOYSA-N 2 2 382.508 2.859 50 0 GFAALP O=C(CC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095505589 211257180 /nfs/dbraw/zinc/25/71/80/211257180.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 3 2 398.595 2.575 50 0 GFAALP O=C(CC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095505589 211257182 /nfs/dbraw/zinc/25/71/82/211257182.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 3 2 398.595 2.575 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000095361683 211223714 /nfs/dbraw/zinc/22/37/14/211223714.db2.gz IABDOZIYQWOIPV-UHFFFAOYSA-N 2 2 382.508 2.790 50 0 GFAALP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192674 /nfs/dbraw/zinc/19/26/74/211192674.db2.gz FOTOSBOQOTWGCT-VGSWGCGISA-N 2 2 389.515 2.911 50 0 GFAALP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192677 /nfs/dbraw/zinc/19/26/77/211192677.db2.gz FOTOSBOQOTWGCT-VGSWGCGISA-N 2 2 389.515 2.911 50 0 GFAALP C[N@@H+]1CCNC(=O)C12CCN(c1cc[nH+]c3c1cccc3C(F)(F)F)CC2 ZINC000067881144 211027417 /nfs/dbraw/zinc/02/74/17/211027417.db2.gz XEAMHGYPPGJKPI-UHFFFAOYSA-N 2 2 378.398 2.654 50 0 GFAALP C[N@H+]1CCNC(=O)C12CCN(c1cc[nH+]c3c1cccc3C(F)(F)F)CC2 ZINC000067881144 211027422 /nfs/dbraw/zinc/02/74/22/211027422.db2.gz XEAMHGYPPGJKPI-UHFFFAOYSA-N 2 2 378.398 2.654 50 0 GFAALP O=C(NCCc1c[nH+]c[nH]1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067672933 211015079 /nfs/dbraw/zinc/01/50/79/211015079.db2.gz LXXYHMTYOMPLRV-UHFFFAOYSA-N 2 2 393.491 2.825 50 0 GFAALP O=C(NCCc1c[nH]c[nH+]1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067672933 211015083 /nfs/dbraw/zinc/01/50/83/211015083.db2.gz LXXYHMTYOMPLRV-UHFFFAOYSA-N 2 2 393.491 2.825 50 0 GFAALP CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000011935668 221138944 /nfs/dbraw/zinc/13/89/44/221138944.db2.gz DDBNAKKEVKIRHW-UHFFFAOYSA-N 2 2 388.475 2.662 50 0 GFAALP CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000011935668 221138946 /nfs/dbraw/zinc/13/89/46/221138946.db2.gz DDBNAKKEVKIRHW-UHFFFAOYSA-N 2 2 388.475 2.662 50 0 GFAALP CSc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)cc(N)[nH+]1 ZINC000095502313 136179868 /nfs/dbraw/zinc/17/98/68/136179868.db2.gz XEZFZKDELOPFCG-HNNXBMFYSA-N 2 2 381.509 2.805 50 0 GFAALP Cc1nc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426383138 534581726 /nfs/dbraw/zinc/58/17/26/534581726.db2.gz NFVKSWHHMAWGJW-HXUWFJFHSA-N 2 2 378.520 2.968 50 0 GFAALP Cc1nc(N2CCC[N@H+](C3Cc4ccccc4C3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426383138 534581732 /nfs/dbraw/zinc/58/17/32/534581732.db2.gz NFVKSWHHMAWGJW-HXUWFJFHSA-N 2 2 378.520 2.968 50 0 GFAALP CCN1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)CC1=O ZINC000096140466 535783591 /nfs/dbraw/zinc/78/35/91/535783591.db2.gz ASLFSVQOUSGKPE-LJQANCHMSA-N 2 2 379.508 2.631 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(OC)c2)C3)CC1 ZINC000015779557 570243645 /nfs/dbraw/zinc/24/36/45/570243645.db2.gz ORNVUFKSRSACFZ-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(OC)c2)C3)CC1 ZINC000015779557 570243649 /nfs/dbraw/zinc/24/36/49/570243649.db2.gz ORNVUFKSRSACFZ-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Br)c1OC ZINC000008253591 570525644 /nfs/dbraw/zinc/52/56/44/570525644.db2.gz VZDYZHFLTAGCEE-UHFFFAOYSA-N 2 2 387.318 2.668 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503200 529643498 /nfs/dbraw/zinc/64/34/98/529643498.db2.gz AKEAEVODBIHPFJ-INIZCTEOSA-N 2 2 384.549 2.685 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503200 529643499 /nfs/dbraw/zinc/64/34/99/529643499.db2.gz AKEAEVODBIHPFJ-INIZCTEOSA-N 2 2 384.549 2.685 50 0 GFAALP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CC[NH+](C)CC1 ZINC000015068562 210147368 /nfs/dbraw/zinc/14/73/68/210147368.db2.gz VGBNGNITYAUPKU-UHFFFAOYSA-N 3 2 389.584 2.950 50 0 GFAALP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CC[NH+](C)CC1 ZINC000015068562 210147374 /nfs/dbraw/zinc/14/73/74/210147374.db2.gz VGBNGNITYAUPKU-UHFFFAOYSA-N 3 2 389.584 2.950 50 0 GFAALP C[NH2+][C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000095510807 211262358 /nfs/dbraw/zinc/26/23/58/211262358.db2.gz MXRRDHHHXQGXEU-OAQYLSRUSA-N 2 2 389.503 2.993 50 0 GFAALP Cc1nc(C)c(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)s1 ZINC000095360975 211223344 /nfs/dbraw/zinc/22/33/44/211223344.db2.gz GMJZVMUHUHKVFI-UHFFFAOYSA-N 2 2 375.542 2.928 50 0 GFAALP Cn1c(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc2ccccc21 ZINC000095388356 211233981 /nfs/dbraw/zinc/23/39/81/211233981.db2.gz JQGLOBCNMSJMML-GOSISDBHSA-N 2 2 389.507 2.931 50 0 GFAALP Cn1c(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc2ccccc21 ZINC000095388356 211233986 /nfs/dbraw/zinc/23/39/86/211233986.db2.gz JQGLOBCNMSJMML-GOSISDBHSA-N 2 2 389.507 2.931 50 0 GFAALP C[N@H+](CCCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477156 211125053 /nfs/dbraw/zinc/12/50/53/211125053.db2.gz QPFFFDPGNRLFDF-HXUWFJFHSA-N 3 2 392.588 2.680 50 0 GFAALP C[N@@H+](CCCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477156 211125058 /nfs/dbraw/zinc/12/50/58/211125058.db2.gz QPFFFDPGNRLFDF-HXUWFJFHSA-N 3 2 392.588 2.680 50 0 GFAALP COc1cccc(C[NH2+]CCc2[nH]nc3c2CCCC3)c1OCCn1cc[nH+]c1 ZINC000067973905 211030484 /nfs/dbraw/zinc/03/04/84/211030484.db2.gz VNWYSEQFKDWVMQ-UHFFFAOYSA-N 2 2 395.507 2.905 50 0 GFAALP COc1cccc(C[NH2+]CCc2n[nH]c3c2CCCC3)c1OCCn1cc[nH+]c1 ZINC000067973905 211030489 /nfs/dbraw/zinc/03/04/89/211030489.db2.gz VNWYSEQFKDWVMQ-UHFFFAOYSA-N 2 2 395.507 2.905 50 0 GFAALP Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020650074 210354954 /nfs/dbraw/zinc/35/49/54/210354954.db2.gz LOQMKPYZGOWHGL-UHFFFAOYSA-N 2 2 380.496 2.626 50 0 GFAALP CCOc1cccc(C[N@@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)c1 ZINC000015779446 570243732 /nfs/dbraw/zinc/24/37/32/570243732.db2.gz WORJNCFNWNRCLU-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CCOc1cccc(C[N@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)c1 ZINC000015779446 570243735 /nfs/dbraw/zinc/24/37/35/570243735.db2.gz WORJNCFNWNRCLU-UHFFFAOYSA-N 2 2 381.524 2.576 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)CC1 ZINC000104629317 570260227 /nfs/dbraw/zinc/26/02/27/570260227.db2.gz UVSQEFISMDOTDA-LJQANCHMSA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)CC1 ZINC000104629317 570260228 /nfs/dbraw/zinc/26/02/28/570260228.db2.gz UVSQEFISMDOTDA-LJQANCHMSA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)CC1 ZINC000104629317 570260229 /nfs/dbraw/zinc/26/02/29/570260229.db2.gz UVSQEFISMDOTDA-LJQANCHMSA-N 2 2 395.975 2.787 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)CC1 ZINC000104629317 570260230 /nfs/dbraw/zinc/26/02/30/570260230.db2.gz UVSQEFISMDOTDA-LJQANCHMSA-N 2 2 395.975 2.787 50 0 GFAALP CC1CCN(C(=O)COc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH+](C)C4)cc2)CC1 ZINC000216346199 570299367 /nfs/dbraw/zinc/29/93/67/570299367.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 2 2 385.552 2.850 50 0 GFAALP CC1CCN(C(=O)COc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH+](C)C4)cc2)CC1 ZINC000216346199 570299368 /nfs/dbraw/zinc/29/93/68/570299368.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 2 2 385.552 2.850 50 0 GFAALP CC1CCN(C(=O)COc2ccc(C[NH+]3C[C@H]4CC[C@@H](C3)[N@H+](C)C4)cc2)CC1 ZINC000216346199 570299369 /nfs/dbraw/zinc/29/93/69/570299369.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 2 2 385.552 2.850 50 0 GFAALP CC1CCN(C(=O)COc2ccc(C[NH+]3C[C@H]4CC[C@@H](C3)[N@@H+](C)C4)cc2)CC1 ZINC000216346199 570299370 /nfs/dbraw/zinc/29/93/70/570299370.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 2 2 385.552 2.850 50 0 GFAALP c1cc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851588 570331726 /nfs/dbraw/zinc/33/17/26/570331726.db2.gz CBWPKQRMQGJTMP-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP c1cc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851588 570331729 /nfs/dbraw/zinc/33/17/29/570331729.db2.gz CBWPKQRMQGJTMP-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP COc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc[nH+]2)c(C)c1 ZINC000035598145 570400654 /nfs/dbraw/zinc/40/06/54/570400654.db2.gz XXTBACSCDOOQOC-UHFFFAOYSA-N 2 2 381.440 2.521 50 0 GFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](O)CC)CC2)c1Cc1ccc(F)cc1 ZINC000036340784 570624773 /nfs/dbraw/zinc/62/47/73/570624773.db2.gz GSRAFYWRABEVFF-LJQANCHMSA-N 2 2 386.515 2.970 50 0 GFAALP O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438589 570663089 /nfs/dbraw/zinc/66/30/89/570663089.db2.gz KCCVBEGBDCNBSR-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438589 570663090 /nfs/dbraw/zinc/66/30/90/570663090.db2.gz KCCVBEGBDCNBSR-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438589 570663092 /nfs/dbraw/zinc/66/30/92/570663092.db2.gz KCCVBEGBDCNBSR-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438589 570663094 /nfs/dbraw/zinc/66/30/94/570663094.db2.gz KCCVBEGBDCNBSR-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901519 570692100 /nfs/dbraw/zinc/69/21/00/570692100.db2.gz BCCAXZCOXCBVHN-OAHLLOKOSA-N 2 2 376.888 2.800 50 0 GFAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901519 570692102 /nfs/dbraw/zinc/69/21/02/570692102.db2.gz BCCAXZCOXCBVHN-OAHLLOKOSA-N 2 2 376.888 2.800 50 0 GFAALP CCn1c(C[NH+]2CCC(C(=O)N3CC[NH+](C(C)C)CC3)CC2)nc2ccccc21 ZINC000248036172 570720258 /nfs/dbraw/zinc/72/02/58/570720258.db2.gz YZMAKAQUMSJHQS-UHFFFAOYSA-N 2 2 397.567 2.821 50 0 GFAALP CCCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000253612896 570735641 /nfs/dbraw/zinc/73/56/41/570735641.db2.gz IMBAUNPZFJDNFQ-UHFFFAOYSA-N 2 2 397.567 2.730 50 0 GFAALP FC(F)(F)c1nnc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)s1 ZINC000063855270 570751143 /nfs/dbraw/zinc/75/11/43/570751143.db2.gz BBFHDIWRTHAGQG-UONOGXRCSA-N 2 2 389.491 2.943 50 0 GFAALP FC(F)(F)c1nnc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)s1 ZINC000063855270 570751147 /nfs/dbraw/zinc/75/11/47/570751147.db2.gz BBFHDIWRTHAGQG-UONOGXRCSA-N 2 2 389.491 2.943 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015080503 210152386 /nfs/dbraw/zinc/15/23/86/210152386.db2.gz WEKHEZOLYLSJDD-HXUWFJFHSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[NH+](C)Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015080503 210152391 /nfs/dbraw/zinc/15/23/91/210152391.db2.gz WEKHEZOLYLSJDD-HXUWFJFHSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[N@H+](C)Cc1ccncc1)[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000015080503 210152394 /nfs/dbraw/zinc/15/23/94/210152394.db2.gz WEKHEZOLYLSJDD-HXUWFJFHSA-N 2 2 384.499 2.776 50 0 GFAALP CN(C(=O)C[N@@H+](C)Cc1ccncc1)[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000015080503 210152398 /nfs/dbraw/zinc/15/23/98/210152398.db2.gz WEKHEZOLYLSJDD-HXUWFJFHSA-N 2 2 384.499 2.776 50 0 GFAALP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)([NH+](C)C)CC1 ZINC000299782467 212037052 /nfs/dbraw/zinc/03/70/52/212037052.db2.gz WZMZTKNZIQSNQJ-BDTNDASRSA-N 3 2 398.595 2.744 50 0 GFAALP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)([NH+](C)C)CC1 ZINC000299782467 212037056 /nfs/dbraw/zinc/03/70/56/212037056.db2.gz WZMZTKNZIQSNQJ-BDTNDASRSA-N 3 2 398.595 2.744 50 0 GFAALP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000095477172 211248307 /nfs/dbraw/zinc/24/83/07/211248307.db2.gz RAYFKMXRMOAQRG-JOCHJYFZSA-N 2 2 397.519 2.650 50 0 GFAALP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000095477172 211248314 /nfs/dbraw/zinc/24/83/14/211248314.db2.gz RAYFKMXRMOAQRG-JOCHJYFZSA-N 2 2 397.519 2.650 50 0 GFAALP Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@@H]4CCN(Cc5c[nH]c[nH+]5)[C@@H]4C3)c2)n1 ZINC000082107251 211161995 /nfs/dbraw/zinc/16/19/95/211161995.db2.gz ZQNSRPGHHIAYST-SIKLNZKXSA-N 2 2 376.508 2.919 50 0 GFAALP Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@@H]4CCN(Cc5c[nH]c[nH+]5)[C@@H]4C3)c2)n1 ZINC000082107251 211161998 /nfs/dbraw/zinc/16/19/98/211161998.db2.gz ZQNSRPGHHIAYST-SIKLNZKXSA-N 2 2 376.508 2.919 50 0 GFAALP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)c1 ZINC000072433309 211118159 /nfs/dbraw/zinc/11/81/59/211118159.db2.gz PVEITTVUBUJPPQ-GHTZIAJQSA-N 2 2 382.508 2.864 50 0 GFAALP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)c1 ZINC000072433309 211118162 /nfs/dbraw/zinc/11/81/62/211118162.db2.gz PVEITTVUBUJPPQ-GHTZIAJQSA-N 2 2 382.508 2.864 50 0 GFAALP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)c1 ZINC000072433309 211118165 /nfs/dbraw/zinc/11/81/65/211118165.db2.gz PVEITTVUBUJPPQ-GHTZIAJQSA-N 2 2 382.508 2.864 50 0 GFAALP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)c1 ZINC000072433309 211118167 /nfs/dbraw/zinc/11/81/67/211118167.db2.gz PVEITTVUBUJPPQ-GHTZIAJQSA-N 2 2 382.508 2.864 50 0 GFAALP Cc1cccnc1N1CC[NH+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000072127165 211071643 /nfs/dbraw/zinc/07/16/43/211071643.db2.gz HPTJFXMNDNMNGI-UHFFFAOYSA-N 2 2 377.492 2.988 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)[nH+]cn2)c1C ZINC000072115941 211070385 /nfs/dbraw/zinc/07/03/85/211070385.db2.gz ILFMOHVSKSRKSM-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071765574 211059754 /nfs/dbraw/zinc/05/97/54/211059754.db2.gz HMENXBWBCFVHCZ-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071765574 211059757 /nfs/dbraw/zinc/05/97/57/211059757.db2.gz HMENXBWBCFVHCZ-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP O[C@H]1CCN(c2cc[nH+]c(NCc3ccc[nH+]c3N3CCCCCCC3)n2)C1 ZINC000067966444 211031249 /nfs/dbraw/zinc/03/12/49/211031249.db2.gz OHPVZELMFFTJBU-SFHVURJKSA-N 2 2 382.512 2.825 50 0 GFAALP CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067847248 211024199 /nfs/dbraw/zinc/02/41/99/211024199.db2.gz RVDSZJBVZWEUJY-UHFFFAOYSA-N 2 2 382.508 2.837 50 0 GFAALP CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067847248 211024204 /nfs/dbraw/zinc/02/42/04/211024204.db2.gz RVDSZJBVZWEUJY-UHFFFAOYSA-N 2 2 382.508 2.837 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000020209335 210320489 /nfs/dbraw/zinc/32/04/89/210320489.db2.gz ZWWMXKYZVONICI-SFHVURJKSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000020209335 210320492 /nfs/dbraw/zinc/32/04/92/210320492.db2.gz ZWWMXKYZVONICI-SFHVURJKSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000020209335 210320494 /nfs/dbraw/zinc/32/04/94/210320494.db2.gz ZWWMXKYZVONICI-SFHVURJKSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000020209335 210320497 /nfs/dbraw/zinc/32/04/97/210320497.db2.gz ZWWMXKYZVONICI-SFHVURJKSA-N 2 2 381.511 2.706 50 0 GFAALP Cc1c(C)n(CCC[NH+]2CCOCC2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000020646474 570280858 /nfs/dbraw/zinc/28/08/58/570280858.db2.gz RMQCFETVXDSTJJ-UHFFFAOYSA-N 2 2 380.496 2.778 50 0 GFAALP O=C(CC1=CSC2=[NH+]CCN12)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000102743916 570291846 /nfs/dbraw/zinc/29/18/46/570291846.db2.gz NMZLUSJIPCESIL-ZWKOTPCHSA-N 2 2 382.533 2.759 50 0 GFAALP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000023043282 570341734 /nfs/dbraw/zinc/34/17/34/570341734.db2.gz PXFDJVFPOIPEBE-UHFFFAOYSA-N 2 2 380.496 2.676 50 0 GFAALP CCCCc1noc([C@@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000072293179 570494342 /nfs/dbraw/zinc/49/43/42/570494342.db2.gz MKTWHISHXVPAPQ-MRXNPFEDSA-N 2 2 393.576 2.889 50 0 GFAALP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248161377 570721559 /nfs/dbraw/zinc/72/15/59/570721559.db2.gz LRJIQVVIBWKPJG-LJQANCHMSA-N 2 2 397.567 2.993 50 0 GFAALP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000248149841 570721827 /nfs/dbraw/zinc/72/18/27/570721827.db2.gz GQTRLCIDYYBANC-UHFFFAOYSA-N 2 2 397.567 2.993 50 0 GFAALP COc1ccc(C[N@H+](C)Cc2ccon2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095531804 211276373 /nfs/dbraw/zinc/27/63/73/211276373.db2.gz URDKGGABNHFPTN-LJQANCHMSA-N 2 2 389.496 2.541 50 0 GFAALP COc1ccc(C[N@@H+](C)Cc2ccon2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095531804 211276378 /nfs/dbraw/zinc/27/63/78/211276378.db2.gz URDKGGABNHFPTN-LJQANCHMSA-N 2 2 389.496 2.541 50 0 GFAALP C[C@H](NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000095409010 211239426 /nfs/dbraw/zinc/23/94/26/211239426.db2.gz PCKYWESQCVFRJE-IBGZPJMESA-N 2 2 396.579 2.975 50 0 GFAALP C[C@H](NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000095409010 211239428 /nfs/dbraw/zinc/23/94/28/211239428.db2.gz PCKYWESQCVFRJE-IBGZPJMESA-N 2 2 396.579 2.975 50 0 GFAALP C[C@H](NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000095409010 211239432 /nfs/dbraw/zinc/23/94/32/211239432.db2.gz PCKYWESQCVFRJE-IBGZPJMESA-N 2 2 396.579 2.975 50 0 GFAALP C[C@H](NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000095409010 211239434 /nfs/dbraw/zinc/23/94/34/211239434.db2.gz PCKYWESQCVFRJE-IBGZPJMESA-N 2 2 396.579 2.975 50 0 GFAALP Cn1c(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc2ccccc21 ZINC000095388355 211234495 /nfs/dbraw/zinc/23/44/95/211234495.db2.gz JQGLOBCNMSJMML-SFHVURJKSA-N 2 2 389.507 2.931 50 0 GFAALP Cn1c(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc2ccccc21 ZINC000095388355 211234497 /nfs/dbraw/zinc/23/44/97/211234497.db2.gz JQGLOBCNMSJMML-SFHVURJKSA-N 2 2 389.507 2.931 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092019853 211212052 /nfs/dbraw/zinc/21/20/52/211212052.db2.gz IGQPGICBQXPKCB-QHCPKHFHSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092019853 211212056 /nfs/dbraw/zinc/21/20/56/211212056.db2.gz IGQPGICBQXPKCB-QHCPKHFHSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@]2(CCC[N@@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092019853 211212057 /nfs/dbraw/zinc/21/20/57/211212057.db2.gz IGQPGICBQXPKCB-QHCPKHFHSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@]2(CCC[N@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092019853 211212060 /nfs/dbraw/zinc/21/20/60/211212060.db2.gz IGQPGICBQXPKCB-QHCPKHFHSA-N 2 2 378.520 2.824 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000092046179 211214846 /nfs/dbraw/zinc/21/48/46/211214846.db2.gz XBZUEHJERGJRLH-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000092046179 211214848 /nfs/dbraw/zinc/21/48/48/211214848.db2.gz XBZUEHJERGJRLH-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000092046179 211214852 /nfs/dbraw/zinc/21/48/52/211214852.db2.gz XBZUEHJERGJRLH-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000092046179 211214854 /nfs/dbraw/zinc/21/48/54/211214854.db2.gz XBZUEHJERGJRLH-JOCHJYFZSA-N 2 2 382.508 2.866 50 0 GFAALP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cc(SC)ccc3[nH+]2)C[C@@H]1CO ZINC000092037663 211214583 /nfs/dbraw/zinc/21/45/83/211214583.db2.gz DRRVSFAKDATOTC-IAGOWNOFSA-N 2 2 389.565 2.888 50 0 GFAALP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)c3cc(SC)ccc3[nH+]2)C[C@@H]1CO ZINC000092037663 211214587 /nfs/dbraw/zinc/21/45/87/211214587.db2.gz DRRVSFAKDATOTC-IAGOWNOFSA-N 2 2 389.565 2.888 50 0 GFAALP COc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000091575390 211196705 /nfs/dbraw/zinc/19/67/05/211196705.db2.gz DTFKHXLUAPADGT-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000091575390 211196708 /nfs/dbraw/zinc/19/67/08/211196708.db2.gz DTFKHXLUAPADGT-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000091575390 211196709 /nfs/dbraw/zinc/19/67/09/211196709.db2.gz DTFKHXLUAPADGT-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP COc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000091575390 211196713 /nfs/dbraw/zinc/19/67/13/211196713.db2.gz DTFKHXLUAPADGT-QFIPXVFZSA-N 2 2 382.508 2.866 50 0 GFAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000091808349 211207437 /nfs/dbraw/zinc/20/74/37/211207437.db2.gz QTBVAKFMGNYCDW-UHFFFAOYSA-N 2 2 377.492 2.621 50 0 GFAALP Fc1cccc(CN2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000072169887 211079996 /nfs/dbraw/zinc/07/99/96/211079996.db2.gz WBHXPQOEJBVDAE-UHFFFAOYSA-N 2 2 383.511 2.976 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753725 211055425 /nfs/dbraw/zinc/05/54/25/211055425.db2.gz UAUBWOUVYVSVIQ-GOSISDBHSA-N 2 2 385.556 2.697 50 0 GFAALP CCCc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753725 211055429 /nfs/dbraw/zinc/05/54/29/211055429.db2.gz UAUBWOUVYVSVIQ-GOSISDBHSA-N 2 2 385.556 2.697 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908572 211030009 /nfs/dbraw/zinc/03/00/09/211030009.db2.gz PQKRUAUVLFHMQF-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908572 211030013 /nfs/dbraw/zinc/03/00/13/211030013.db2.gz PQKRUAUVLFHMQF-LJQANCHMSA-N 2 2 391.531 2.573 50 0 GFAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1Cl ZINC000020662134 210356361 /nfs/dbraw/zinc/35/63/61/210356361.db2.gz UJZKFMCHEFKTJO-UHFFFAOYSA-N 2 2 386.887 2.912 50 0 GFAALP O=C(CC[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020363446 210329343 /nfs/dbraw/zinc/32/93/43/210329343.db2.gz AJIHVCICRLGSEX-HXUWFJFHSA-N 2 2 393.535 2.818 50 0 GFAALP O=C(CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020363446 210329348 /nfs/dbraw/zinc/32/93/48/210329348.db2.gz AJIHVCICRLGSEX-HXUWFJFHSA-N 2 2 393.535 2.818 50 0 GFAALP CC[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706625 210282982 /nfs/dbraw/zinc/28/29/82/210282982.db2.gz HFDBNPIDCZKBSN-XXBNENTESA-N 2 2 396.579 2.641 50 0 GFAALP CC[NH+]1CCN(C[C@@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706625 210282984 /nfs/dbraw/zinc/28/29/84/210282984.db2.gz HFDBNPIDCZKBSN-XXBNENTESA-N 2 2 396.579 2.641 50 0 GFAALP COc1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000040062863 132393444 /nfs/dbraw/zinc/39/34/44/132393444.db2.gz CMNRKHKGRFHWBK-UHFFFAOYSA-N 2 2 394.519 2.794 50 0 GFAALP COc1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000040062863 132393446 /nfs/dbraw/zinc/39/34/46/132393446.db2.gz CMNRKHKGRFHWBK-UHFFFAOYSA-N 2 2 394.519 2.794 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000071777177 136166654 /nfs/dbraw/zinc/16/66/54/136166654.db2.gz QQDIUJFDYOHVPR-IBGZPJMESA-N 2 2 396.535 2.678 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000071777177 136166655 /nfs/dbraw/zinc/16/66/55/136166655.db2.gz QQDIUJFDYOHVPR-IBGZPJMESA-N 2 2 396.535 2.678 50 0 GFAALP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1 ZINC000095967264 136182943 /nfs/dbraw/zinc/18/29/43/136182943.db2.gz JHHKOJYBRSXKRO-SFHVURJKSA-N 2 2 376.508 2.888 50 0 GFAALP O=C1CCCN1C1CC[NH+](Cc2ccccc2OCCCn2cc[nH+]c2)CC1 ZINC000216370044 570300170 /nfs/dbraw/zinc/30/01/70/570300170.db2.gz XZJHNGFNUOSCQV-UHFFFAOYSA-N 2 2 382.508 2.939 50 0 GFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075761 570305308 /nfs/dbraw/zinc/30/53/08/570305308.db2.gz JKUBWVKYOPXFMJ-UHFFFAOYSA-N 2 2 382.863 2.738 50 0 GFAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000023731538 570370319 /nfs/dbraw/zinc/37/03/19/570370319.db2.gz HMNMNFJXRVJXHB-GOSISDBHSA-N 2 2 379.504 2.586 50 0 GFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012449390 570668260 /nfs/dbraw/zinc/66/82/60/570668260.db2.gz UAMKDVQJDVRKDC-GOSISDBHSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000012449390 570668261 /nfs/dbraw/zinc/66/82/61/570668261.db2.gz UAMKDVQJDVRKDC-GOSISDBHSA-N 2 2 382.508 2.667 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000065362225 570759459 /nfs/dbraw/zinc/75/94/59/570759459.db2.gz DGSAYFKCWIKCGW-UHFFFAOYSA-N 2 2 397.870 2.978 50 0 GFAALP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534589573 570905699 /nfs/dbraw/zinc/90/56/99/570905699.db2.gz XZZZPRWYOMZNCK-SFHVURJKSA-N 2 2 376.460 2.544 50 0 GFAALP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534589573 570905703 /nfs/dbraw/zinc/90/57/03/570905703.db2.gz XZZZPRWYOMZNCK-SFHVURJKSA-N 2 2 376.460 2.544 50 0 GFAALP CCC[NH+]1CCC(NC(=O)C2([N@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)CC1 ZINC000012718715 221221832 /nfs/dbraw/zinc/22/18/32/221221832.db2.gz SSCGRJHBKSQDDN-KDURUIRLSA-N 2 2 399.579 2.624 50 0 GFAALP CCC[NH+]1CCC(NC(=O)C2([N@@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)CC1 ZINC000012718715 221221834 /nfs/dbraw/zinc/22/18/34/221221834.db2.gz SSCGRJHBKSQDDN-KDURUIRLSA-N 2 2 399.579 2.624 50 0 GFAALP COc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)c(C)c1C ZINC000072424189 136169798 /nfs/dbraw/zinc/16/97/98/136169798.db2.gz PMBDOTLUMQPOBU-SFHVURJKSA-N 2 2 395.507 2.657 50 0 GFAALP COc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)c(C)c1C ZINC000072424189 136169799 /nfs/dbraw/zinc/16/97/99/136169799.db2.gz PMBDOTLUMQPOBU-SFHVURJKSA-N 2 2 395.507 2.657 50 0 GFAALP CCc1cc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)nc(C)[nH+]1 ZINC000091493954 136176449 /nfs/dbraw/zinc/17/64/49/136176449.db2.gz ZPNMXFRRYCSUMG-OAQYLSRUSA-N 2 2 382.512 2.522 50 0 GFAALP CSc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)cc(N)[nH+]1 ZINC000095502314 136179908 /nfs/dbraw/zinc/17/99/08/136179908.db2.gz XEZFZKDELOPFCG-OAHLLOKOSA-N 2 2 381.509 2.805 50 0 GFAALP Cc1cc(N2CCC([NH2+][C@H](C)Cn3cncn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095520078 136181194 /nfs/dbraw/zinc/18/11/94/136181194.db2.gz SXUFQICOVNJFNU-QGZVFWFLSA-N 2 2 377.496 2.691 50 0 GFAALP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC000068232037 222170992 /nfs/dbraw/zinc/17/09/92/222170992.db2.gz TVSAADIPTZJIQY-UHFFFAOYSA-N 2 2 375.476 2.936 50 0 GFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000071763671 222195629 /nfs/dbraw/zinc/19/56/29/222195629.db2.gz RBYZYDRFIYAZRV-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000071763671 222195632 /nfs/dbraw/zinc/19/56/32/222195632.db2.gz RBYZYDRFIYAZRV-LJQANCHMSA-N 2 2 382.508 2.667 50 0 GFAALP CN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095504154 222336797 /nfs/dbraw/zinc/33/67/97/222336797.db2.gz GSKJBCSBKXXMLO-LJQANCHMSA-N 2 2 383.540 2.921 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095511585 222342976 /nfs/dbraw/zinc/34/29/76/222342976.db2.gz JXHUUOZEPIOAEA-KRWDZBQOSA-N 2 2 384.480 2.583 50 0 GFAALP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000079474092 222305183 /nfs/dbraw/zinc/30/51/83/222305183.db2.gz SAFKUIUZYFNLQU-SFHVURJKSA-N 2 2 399.560 2.629 50 0 GFAALP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000079474092 222305185 /nfs/dbraw/zinc/30/51/85/222305185.db2.gz SAFKUIUZYFNLQU-SFHVURJKSA-N 2 2 399.560 2.629 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019730743 570211561 /nfs/dbraw/zinc/21/15/61/570211561.db2.gz CUHJTEVIGVYYIS-FQEVSTJZSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019730743 570211565 /nfs/dbraw/zinc/21/15/65/570211565.db2.gz CUHJTEVIGVYYIS-FQEVSTJZSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019730743 570211568 /nfs/dbraw/zinc/21/15/68/570211568.db2.gz CUHJTEVIGVYYIS-FQEVSTJZSA-N 2 2 393.547 2.576 50 0 GFAALP COc1ccc(F)c(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019730743 570211569 /nfs/dbraw/zinc/21/15/69/570211569.db2.gz CUHJTEVIGVYYIS-FQEVSTJZSA-N 2 2 393.547 2.576 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104430836 570258661 /nfs/dbraw/zinc/25/86/61/570258661.db2.gz CBVHPVIBZVPSHG-QGZVFWFLSA-N 2 2 399.501 2.845 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)ccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104430836 570258663 /nfs/dbraw/zinc/25/86/63/570258663.db2.gz CBVHPVIBZVPSHG-QGZVFWFLSA-N 2 2 399.501 2.845 50 0 GFAALP COc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)c(C)c1C ZINC000020906583 570284214 /nfs/dbraw/zinc/28/42/14/570284214.db2.gz YJCRQXKIKLWMBP-FGZHOGPDSA-N 2 2 383.536 2.817 50 0 GFAALP COc1ccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)c(C)c1C ZINC000020906583 570284216 /nfs/dbraw/zinc/28/42/16/570284216.db2.gz YJCRQXKIKLWMBP-FGZHOGPDSA-N 2 2 383.536 2.817 50 0 GFAALP COc1ccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)c(C)c1C ZINC000020906583 570284217 /nfs/dbraw/zinc/28/42/17/570284217.db2.gz YJCRQXKIKLWMBP-FGZHOGPDSA-N 2 2 383.536 2.817 50 0 GFAALP COc1ccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)c(C)c1C ZINC000020906583 570284218 /nfs/dbraw/zinc/28/42/18/570284218.db2.gz YJCRQXKIKLWMBP-FGZHOGPDSA-N 2 2 383.536 2.817 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000249694621 570321673 /nfs/dbraw/zinc/32/16/73/570321673.db2.gz PFZIMRSKCBKQAP-ZWKOTPCHSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000249694621 570321675 /nfs/dbraw/zinc/32/16/75/570321675.db2.gz PFZIMRSKCBKQAP-ZWKOTPCHSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000249694621 570321676 /nfs/dbraw/zinc/32/16/76/570321676.db2.gz PFZIMRSKCBKQAP-ZWKOTPCHSA-N 2 2 388.560 2.506 50 0 GFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000249694621 570321679 /nfs/dbraw/zinc/32/16/79/570321679.db2.gz PFZIMRSKCBKQAP-ZWKOTPCHSA-N 2 2 388.560 2.506 50 0 GFAALP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000237655049 570388265 /nfs/dbraw/zinc/38/82/65/570388265.db2.gz UKGQBGPSNMZYNB-UHFFFAOYSA-N 2 2 376.932 2.830 50 0 GFAALP C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221415714 570394796 /nfs/dbraw/zinc/39/47/96/570394796.db2.gz RMPRXKOHGTZXLG-KRWDZBQOSA-N 2 2 381.480 2.618 50 0 GFAALP C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221415714 570394797 /nfs/dbraw/zinc/39/47/97/570394797.db2.gz RMPRXKOHGTZXLG-KRWDZBQOSA-N 2 2 381.480 2.618 50 0 GFAALP CCN(C)c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cn1 ZINC000252488178 570970421 /nfs/dbraw/zinc/97/04/21/570970421.db2.gz IMSHSMFUKBKKCI-UHFFFAOYSA-N 2 2 384.524 2.539 50 0 GFAALP COc1cc(SC)c(OC)cc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091426268 571007265 /nfs/dbraw/zinc/00/72/65/571007265.db2.gz SGCYENUMSQPNKE-IAGOWNOFSA-N 2 2 380.554 2.562 50 0 GFAALP COc1cc(SC)c(OC)cc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091426268 571007262 /nfs/dbraw/zinc/00/72/62/571007262.db2.gz SGCYENUMSQPNKE-IAGOWNOFSA-N 2 2 380.554 2.562 50 0 GFAALP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000246467086 529822196 /nfs/dbraw/zinc/82/21/96/529822196.db2.gz JIQYLUJAPCZVLK-DLBZAZTESA-N 2 2 385.599 2.706 50 0 GFAALP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000246467086 529822198 /nfs/dbraw/zinc/82/21/98/529822198.db2.gz JIQYLUJAPCZVLK-DLBZAZTESA-N 2 2 385.599 2.706 50 0 GFAALP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000246467100 529822226 /nfs/dbraw/zinc/82/22/26/529822226.db2.gz JIQYLUJAPCZVLK-IAGOWNOFSA-N 2 2 385.599 2.706 50 0 GFAALP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000246467100 529822228 /nfs/dbraw/zinc/82/22/28/529822228.db2.gz JIQYLUJAPCZVLK-IAGOWNOFSA-N 2 2 385.599 2.706 50 0 GFAALP Cc1nc(C[C@H]2CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421430 212114192 /nfs/dbraw/zinc/11/41/92/212114192.db2.gz INPCZXPBOHDWBT-RTWAWAEBSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421430 212114195 /nfs/dbraw/zinc/11/41/95/212114195.db2.gz INPCZXPBOHDWBT-RTWAWAEBSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421430 212114199 /nfs/dbraw/zinc/11/41/99/212114199.db2.gz INPCZXPBOHDWBT-RTWAWAEBSA-N 2 2 384.524 2.924 50 0 GFAALP Cc1nc(C[C@H]2CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421430 212114202 /nfs/dbraw/zinc/11/42/02/212114202.db2.gz INPCZXPBOHDWBT-RTWAWAEBSA-N 2 2 384.524 2.924 50 0 GFAALP O=C(CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011818941 221128082 /nfs/dbraw/zinc/12/80/82/221128082.db2.gz OQPIKYOKTMWHRQ-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011818941 221128084 /nfs/dbraw/zinc/12/80/84/221128084.db2.gz OQPIKYOKTMWHRQ-NRFANRHFSA-N 2 2 395.551 2.746 50 0 GFAALP COc1cccc(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C)c1OCCC[NH3+] ZINC000426410511 533412891 /nfs/dbraw/zinc/41/28/91/533412891.db2.gz MCANHKIHBLWDJL-UHFFFAOYSA-N 2 2 382.464 2.548 50 0 GFAALP Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000071754794 222191660 /nfs/dbraw/zinc/19/16/60/222191660.db2.gz FPMVORUADNNPCV-FQEVSTJZSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)o1 ZINC000071754794 222191665 /nfs/dbraw/zinc/19/16/65/222191665.db2.gz FPMVORUADNNPCV-FQEVSTJZSA-N 2 2 396.535 2.976 50 0 GFAALP Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000077471082 222283852 /nfs/dbraw/zinc/28/38/52/222283852.db2.gz FNUHULRXYACWNT-UHFFFAOYSA-N 2 2 378.520 2.944 50 0 GFAALP CCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000095517438 536119069 /nfs/dbraw/zinc/11/90/69/536119069.db2.gz MJFUSRCOWGYSAY-CYBMUJFWSA-N 2 2 382.468 2.830 50 0 GFAALP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000019823711 570222749 /nfs/dbraw/zinc/22/27/49/570222749.db2.gz FMKFTEVLFFFDDV-UHFFFAOYSA-N 2 2 397.922 2.530 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104346520 570257079 /nfs/dbraw/zinc/25/70/79/570257079.db2.gz ZWWMXKYZVONICI-GOSISDBHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104346520 570257081 /nfs/dbraw/zinc/25/70/81/570257081.db2.gz ZWWMXKYZVONICI-GOSISDBHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104346520 570257082 /nfs/dbraw/zinc/25/70/82/570257082.db2.gz ZWWMXKYZVONICI-GOSISDBHSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104346520 570257084 /nfs/dbraw/zinc/25/70/84/570257084.db2.gz ZWWMXKYZVONICI-GOSISDBHSA-N 2 2 381.511 2.706 50 0 GFAALP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000024714471 570281228 /nfs/dbraw/zinc/28/12/28/570281228.db2.gz BBLLKGTUDJBAPT-OAQYLSRUSA-N 2 2 392.547 2.714 50 0 GFAALP C[NH+](C)CCNC(=O)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034669007 570292975 /nfs/dbraw/zinc/29/29/75/570292975.db2.gz JLDVGPMFCPBSEJ-UHFFFAOYSA-N 2 2 386.565 2.889 50 0 GFAALP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(OCC[NH+]4CCOCC4)CC3)cc2)n1 ZINC000072309402 570531562 /nfs/dbraw/zinc/53/15/62/570531562.db2.gz UVPKUMXQPWOIKP-UHFFFAOYSA-N 2 2 398.551 2.802 50 0 GFAALP C[NH+]1CCC(N2CC[N@H+](C/C(Cl)=C/c3ccccc3)C[C@H]2CCO)CC1 ZINC000105276482 530049728 /nfs/dbraw/zinc/04/97/28/530049728.db2.gz WGZAFJFJUYKEML-OHUBLEDJSA-N 2 2 377.960 2.729 50 0 GFAALP C[NH+]1CCC(N2CC[N@@H+](C/C(Cl)=C/c3ccccc3)C[C@H]2CCO)CC1 ZINC000105276482 530049729 /nfs/dbraw/zinc/04/97/29/530049729.db2.gz WGZAFJFJUYKEML-OHUBLEDJSA-N 2 2 377.960 2.729 50 0 GFAALP CC[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000239309067 212132956 /nfs/dbraw/zinc/13/29/56/212132956.db2.gz HFDBNPIDCZKBSN-AUSIDOKSSA-N 2 2 396.579 2.641 50 0 GFAALP CC[NH+]1CCN(C[C@@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000239309067 212132958 /nfs/dbraw/zinc/13/29/58/212132958.db2.gz HFDBNPIDCZKBSN-AUSIDOKSSA-N 2 2 396.579 2.641 50 0 GFAALP COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)cc1OC ZINC000011820275 221128748 /nfs/dbraw/zinc/12/87/48/221128748.db2.gz KYMVZISEWJBRNJ-XSBJJCPUSA-N 2 2 398.507 2.606 50 0 GFAALP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)cc1OC ZINC000011820275 221128749 /nfs/dbraw/zinc/12/87/49/221128749.db2.gz KYMVZISEWJBRNJ-XSBJJCPUSA-N 2 2 398.507 2.606 50 0 GFAALP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000089599278 136175653 /nfs/dbraw/zinc/17/56/53/136175653.db2.gz KTDDVUGDIWGISV-IBGZPJMESA-N 2 2 385.556 2.964 50 0 GFAALP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000089599278 136175654 /nfs/dbraw/zinc/17/56/54/136175654.db2.gz KTDDVUGDIWGISV-IBGZPJMESA-N 2 2 385.556 2.964 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)n3cccc3)CC2)c1 ZINC000063848755 222069552 /nfs/dbraw/zinc/06/95/52/222069552.db2.gz FAXYUJUDOWNXPN-NRFANRHFSA-N 2 2 377.492 2.648 50 0 GFAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)n3cccc3)CC2)c1 ZINC000063848755 222069556 /nfs/dbraw/zinc/06/95/56/222069556.db2.gz FAXYUJUDOWNXPN-NRFANRHFSA-N 2 2 377.492 2.648 50 0 GFAALP Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc(C(C)C)[nH+]1 ZINC000071750127 222189223 /nfs/dbraw/zinc/18/92/23/222189223.db2.gz IBUWBXUWCQQWLI-QGZVFWFLSA-N 2 2 385.556 2.868 50 0 GFAALP Cc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc(C(C)C)[nH+]1 ZINC000071750127 222189225 /nfs/dbraw/zinc/18/92/25/222189225.db2.gz IBUWBXUWCQQWLI-QGZVFWFLSA-N 2 2 385.556 2.868 50 0 GFAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(F)c2C)[nH+]c(C)n1 ZINC000067621884 222151233 /nfs/dbraw/zinc/15/12/33/222151233.db2.gz QAGKUYHUEJOAOJ-UHFFFAOYSA-N 2 2 383.431 2.960 50 0 GFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752674 222191098 /nfs/dbraw/zinc/19/10/98/222191098.db2.gz PQFWWDWNZLMSDI-LJQANCHMSA-N 2 2 388.531 2.719 50 0 GFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752674 222191101 /nfs/dbraw/zinc/19/11/01/222191101.db2.gz PQFWWDWNZLMSDI-LJQANCHMSA-N 2 2 388.531 2.719 50 0 GFAALP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000095500561 222333746 /nfs/dbraw/zinc/33/37/46/222333746.db2.gz WPRCCOJBRFHHCT-FQEVSTJZSA-N 3 2 395.551 2.639 50 0 GFAALP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000095500561 222333749 /nfs/dbraw/zinc/33/37/49/222333749.db2.gz WPRCCOJBRFHHCT-FQEVSTJZSA-N 3 2 395.551 2.639 50 0 GFAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]c(C)n2)c1C ZINC000077134177 222273774 /nfs/dbraw/zinc/27/37/74/222273774.db2.gz NNLZPIBACRPYPL-UHFFFAOYSA-N 2 2 386.406 2.708 50 0 GFAALP CCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518425 222344066 /nfs/dbraw/zinc/34/40/66/222344066.db2.gz NZIRAEYOOSWPOG-OAQYLSRUSA-N 2 2 396.535 2.900 50 0 GFAALP CCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518425 222344069 /nfs/dbraw/zinc/34/40/69/222344069.db2.gz NZIRAEYOOSWPOG-OAQYLSRUSA-N 2 2 396.535 2.900 50 0 GFAALP CN(C)c1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095529224 222353588 /nfs/dbraw/zinc/35/35/88/222353588.db2.gz AWOZWCXESPPPBV-IBGZPJMESA-N 2 2 383.540 2.921 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)csc2C1 ZINC000426401608 534362790 /nfs/dbraw/zinc/36/27/90/534362790.db2.gz CHQZUMSAPACPKD-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)csc2C1 ZINC000426401608 534362801 /nfs/dbraw/zinc/36/28/01/534362801.db2.gz CHQZUMSAPACPKD-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP CCc1nc(C[NH+]2CCC(CNC(=O)c3c[nH+]ccc3N(C)C)CC2)cs1 ZINC000183598987 570517769 /nfs/dbraw/zinc/51/77/69/570517769.db2.gz NBYGJHODQCVQOR-UHFFFAOYSA-N 2 2 387.553 2.809 50 0 GFAALP CC[N@H+](CCCNC(=O)CCc1nc(C2=CC[NH+](C)CC2)no1)c1ccccc1 ZINC000033069136 570776283 /nfs/dbraw/zinc/77/62/83/570776283.db2.gz UGHQYVWELQVSJA-UHFFFAOYSA-N 2 2 397.523 2.754 50 0 GFAALP CC[N@@H+](CCCNC(=O)CCc1nc(C2=CC[NH+](C)CC2)no1)c1ccccc1 ZINC000033069136 570776286 /nfs/dbraw/zinc/77/62/86/570776286.db2.gz UGHQYVWELQVSJA-UHFFFAOYSA-N 2 2 397.523 2.754 50 0 GFAALP CC[NH+](CCCNC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1ccccc1 ZINC000033069136 570776292 /nfs/dbraw/zinc/77/62/92/570776292.db2.gz UGHQYVWELQVSJA-UHFFFAOYSA-N 2 2 397.523 2.754 50 0 GFAALP CC[NH+](CCCNC(=O)CCc1nc(C2=CC[N@@H+](C)CC2)no1)c1ccccc1 ZINC000033069136 570776296 /nfs/dbraw/zinc/77/62/96/570776296.db2.gz UGHQYVWELQVSJA-UHFFFAOYSA-N 2 2 397.523 2.754 50 0 GFAALP CCCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299780744 570894939 /nfs/dbraw/zinc/89/49/39/570894939.db2.gz BBXNHHFWIQZCQX-BDTNDASRSA-N 2 2 385.552 2.783 50 0 GFAALP CCCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299780744 570894940 /nfs/dbraw/zinc/89/49/40/570894940.db2.gz BBXNHHFWIQZCQX-BDTNDASRSA-N 2 2 385.552 2.783 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2O)CC1 ZINC000012197036 221166355 /nfs/dbraw/zinc/16/63/55/221166355.db2.gz QUZUFASFEKVQII-DNQXCXABSA-N 2 2 378.516 2.650 50 0 GFAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2O)CC1 ZINC000012197036 221166357 /nfs/dbraw/zinc/16/63/57/221166357.db2.gz QUZUFASFEKVQII-DNQXCXABSA-N 2 2 378.516 2.650 50 0 GFAALP COc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000012712286 221221779 /nfs/dbraw/zinc/22/17/79/221221779.db2.gz BZNWARRVQPZZGW-UHFFFAOYSA-N 2 2 385.552 2.994 50 0 GFAALP Cc1cccn2c(C[NH2+]CCCn3cc[nH+]c3)c(C(=O)N3CCCCC3)nc12 ZINC000015065862 221330192 /nfs/dbraw/zinc/33/01/92/221330192.db2.gz HILLTQCXXZHJKQ-UHFFFAOYSA-N 2 2 380.496 2.645 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000072437828 136170709 /nfs/dbraw/zinc/17/07/09/136170709.db2.gz YGRPNAPCONMGDS-UHFFFAOYSA-N 2 2 376.464 2.550 50 0 GFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccc(C)c4)CC3)[nH+]c(C)n2)c1C ZINC000077136069 136171744 /nfs/dbraw/zinc/17/17/44/136171744.db2.gz FDGQKYRHRMXLCF-UHFFFAOYSA-N 2 2 390.491 2.858 50 0 GFAALP CC1CCN(c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000171404506 136199350 /nfs/dbraw/zinc/19/93/50/136199350.db2.gz NBJFWQZPYDCPDA-UHFFFAOYSA-N 2 2 399.583 2.606 50 0 GFAALP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](CCCn2cc[nH+]c2)CCO3)n1 ZINC000071278941 222178396 /nfs/dbraw/zinc/17/83/96/222178396.db2.gz GEAIQCAPLLDYDP-UHFFFAOYSA-N 2 2 379.464 2.947 50 0 GFAALP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](CCCn2cc[nH+]c2)CCO3)n1 ZINC000071278941 222178399 /nfs/dbraw/zinc/17/83/99/222178399.db2.gz GEAIQCAPLLDYDP-UHFFFAOYSA-N 2 2 379.464 2.947 50 0 GFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1)N1CCCC1 ZINC000071757153 222194749 /nfs/dbraw/zinc/19/47/49/222194749.db2.gz GIWHUPLZGNOIGA-LJQANCHMSA-N 2 2 399.535 2.714 50 0 GFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1)N1CCCC1 ZINC000071757153 222194752 /nfs/dbraw/zinc/19/47/52/222194752.db2.gz GIWHUPLZGNOIGA-LJQANCHMSA-N 2 2 399.535 2.714 50 0 GFAALP COc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071763838 222195270 /nfs/dbraw/zinc/19/52/70/222195270.db2.gz ZENCUWWUELSXMY-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP COc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071763838 222195273 /nfs/dbraw/zinc/19/52/73/222195273.db2.gz ZENCUWWUELSXMY-HXUWFJFHSA-N 2 2 385.552 2.994 50 0 GFAALP O=C(C[NH+]1CCCCCC1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095497849 222332741 /nfs/dbraw/zinc/33/27/41/222332741.db2.gz QIXMCZMQKDYXRL-UHFFFAOYSA-N 2 2 381.524 2.908 50 0 GFAALP COc1ccc(C[NH+]2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095528351 222353737 /nfs/dbraw/zinc/35/37/37/222353737.db2.gz KMERGYGZBWWJDI-FQEVSTJZSA-N 2 2 392.540 2.533 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)csc2C1 ZINC000426737545 534358734 /nfs/dbraw/zinc/35/87/34/534358734.db2.gz TUJNCYXFEBNIAE-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426737545 534358745 /nfs/dbraw/zinc/35/87/45/534358745.db2.gz TUJNCYXFEBNIAE-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@@H]3CC[NH+](C)C3)csc2C1 ZINC000426737545 534358751 /nfs/dbraw/zinc/35/87/51/534358751.db2.gz TUJNCYXFEBNIAE-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@@H]3CC[NH+](C)C3)csc2C1 ZINC000426737545 534358759 /nfs/dbraw/zinc/35/87/59/534358759.db2.gz TUJNCYXFEBNIAE-OAHLLOKOSA-N 2 2 388.537 2.687 50 0 GFAALP CC(C)c1nc(C[N@@H+]2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@@H](CO)C2)co1 ZINC000097514446 570245339 /nfs/dbraw/zinc/24/53/39/570245339.db2.gz SRRCNEBDZVXFDQ-QGZVFWFLSA-N 2 2 387.528 2.618 50 0 GFAALP CC(C)c1nc(C[N@H+]2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@@H](CO)C2)co1 ZINC000097514446 570245340 /nfs/dbraw/zinc/24/53/40/570245340.db2.gz SRRCNEBDZVXFDQ-QGZVFWFLSA-N 2 2 387.528 2.618 50 0 GFAALP Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020648684 570274094 /nfs/dbraw/zinc/27/40/94/570274094.db2.gz LPWMENPZPLQMLZ-UHFFFAOYSA-N 2 2 380.496 2.626 50 0 GFAALP Cc1[nH+]c[nH]c1CSCCNC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000534660305 570916871 /nfs/dbraw/zinc/91/68/71/570916871.db2.gz PDJCODUUZJZTBZ-UHFFFAOYSA-N 2 2 388.541 2.577 50 0 GFAALP c1cncc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536456 571000318 /nfs/dbraw/zinc/00/03/18/571000318.db2.gz QBCDDSOECNCPCU-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP c1cncc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536456 571000319 /nfs/dbraw/zinc/00/03/19/571000319.db2.gz QBCDDSOECNCPCU-NRFANRHFSA-N 2 2 394.519 2.593 50 0 GFAALP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]([NH+]4CCOCC4)[C@H](CCCO)C3)on2)cc1 ZINC000091586044 571015346 /nfs/dbraw/zinc/01/53/46/571015346.db2.gz XZCUHHUXVKIHQC-OFNKIYASSA-N 2 2 399.535 2.945 50 0 GFAALP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]([NH+]4CCOCC4)[C@H](CCCO)C3)on2)cc1 ZINC000091586044 571015348 /nfs/dbraw/zinc/01/53/48/571015348.db2.gz XZCUHHUXVKIHQC-OFNKIYASSA-N 2 2 399.535 2.945 50 0 GFAALP COC[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084640352 571028583 /nfs/dbraw/zinc/02/85/83/571028583.db2.gz RJVOQGMGTOYNBQ-SUMWQHHRSA-N 2 2 388.339 2.775 50 0 GFAALP Cc1cccc(OCC(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095352582 571050685 /nfs/dbraw/zinc/05/06/85/571050685.db2.gz DEUZTPMTRZLCTN-LJQANCHMSA-N 2 2 384.524 2.928 50 0 GFAALP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095356394 571052459 /nfs/dbraw/zinc/05/24/59/571052459.db2.gz XHYGYDJGPRXDAI-KXOMFBTKSA-N 2 2 375.516 2.901 50 0 GFAALP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095356394 571052460 /nfs/dbraw/zinc/05/24/60/571052460.db2.gz XHYGYDJGPRXDAI-KXOMFBTKSA-N 2 2 375.516 2.901 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000095378639 571066021 /nfs/dbraw/zinc/06/60/21/571066021.db2.gz RRLTZVAAZRBJJF-HNNXBMFYSA-N 2 2 384.459 2.587 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000095378639 571066024 /nfs/dbraw/zinc/06/60/24/571066024.db2.gz RRLTZVAAZRBJJF-HNNXBMFYSA-N 2 2 384.459 2.587 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH2+]C[C@H]4C)csc3C2)nc1 ZINC000426537466 529643477 /nfs/dbraw/zinc/64/34/77/529643477.db2.gz JUAWGYWQJHTSHU-OAHLLOKOSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH2+]C[C@H]4C)csc3C2)nc1 ZINC000426537466 529643478 /nfs/dbraw/zinc/64/34/78/529643478.db2.gz JUAWGYWQJHTSHU-OAHLLOKOSA-N 2 2 384.549 2.698 50 0 GFAALP O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007880347 221014948 /nfs/dbraw/zinc/01/49/48/221014948.db2.gz FSWKWKZNJCTPIR-NRFANRHFSA-N 2 2 382.533 2.801 50 0 GFAALP O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007880347 221014951 /nfs/dbraw/zinc/01/49/51/221014951.db2.gz FSWKWKZNJCTPIR-NRFANRHFSA-N 2 2 382.533 2.801 50 0 GFAALP Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)no1 ZINC000012434436 221194068 /nfs/dbraw/zinc/19/40/68/221194068.db2.gz IAGGBLQJCXTKCE-MRXNPFEDSA-N 2 2 381.480 2.937 50 0 GFAALP Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)C[C@H]2CCCC[N@H+]2C)no1 ZINC000012434436 221194070 /nfs/dbraw/zinc/19/40/70/221194070.db2.gz IAGGBLQJCXTKCE-MRXNPFEDSA-N 2 2 381.480 2.937 50 0 GFAALP COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012444936 221197101 /nfs/dbraw/zinc/19/71/01/221197101.db2.gz FAMPUNVYUUUTLN-JOCHJYFZSA-N 2 2 382.508 2.752 50 0 GFAALP COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012444936 221197105 /nfs/dbraw/zinc/19/71/05/221197105.db2.gz FAMPUNVYUUUTLN-JOCHJYFZSA-N 2 2 382.508 2.752 50 0 GFAALP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)CN1C1Cc2ccccc2C1 ZINC000015076578 221330760 /nfs/dbraw/zinc/33/07/60/221330760.db2.gz IYMBQODMKFBIEU-FQEVSTJZSA-N 2 2 379.504 2.602 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000095496966 136179643 /nfs/dbraw/zinc/17/96/43/136179643.db2.gz ZZHUPXLDFDYBEK-SFHVURJKSA-N 3 2 383.544 2.609 50 0 GFAALP CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000055182590 222016162 /nfs/dbraw/zinc/01/61/62/222016162.db2.gz CBLNDGQMVATQRO-KRWDZBQOSA-N 2 2 377.448 2.733 50 0 GFAALP CC[C@H]([NH2+]Cc1ccccc1OCCCN1CC[NH+](C)CC1)c1ccnn1C ZINC000055369677 222021227 /nfs/dbraw/zinc/02/12/27/222021227.db2.gz VUBAJLFBQJROGR-FQEVSTJZSA-N 2 2 385.556 2.677 50 0 GFAALP CC[C@H]([NH2+]Cc1ccccc1OCCC[NH+]1CCN(C)CC1)c1ccnn1C ZINC000055369677 222021233 /nfs/dbraw/zinc/02/12/33/222021233.db2.gz VUBAJLFBQJROGR-FQEVSTJZSA-N 2 2 385.556 2.677 50 0 GFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000067623109 222151179 /nfs/dbraw/zinc/15/11/79/222151179.db2.gz SSBXCOHQMMMUCC-UHFFFAOYSA-N 2 2 396.882 2.515 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000067695001 222155739 /nfs/dbraw/zinc/15/57/39/222155739.db2.gz QGRBKPQYCNRLTM-HXUWFJFHSA-N 2 2 399.535 2.872 50 0 GFAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000067695001 222155741 /nfs/dbraw/zinc/15/57/41/222155741.db2.gz QGRBKPQYCNRLTM-HXUWFJFHSA-N 2 2 399.535 2.872 50 0 GFAALP O=C(Nc1ncns1)c1cccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000067981847 222171201 /nfs/dbraw/zinc/17/12/01/222171201.db2.gz DZSZRDGAOMKLQT-INIZCTEOSA-N 2 2 382.493 2.899 50 0 GFAALP O=C(Nc1ncns1)c1cccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000067981847 222171204 /nfs/dbraw/zinc/17/12/04/222171204.db2.gz DZSZRDGAOMKLQT-INIZCTEOSA-N 2 2 382.493 2.899 50 0 GFAALP CCCSc1ncc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)cn1 ZINC000072480769 222267712 /nfs/dbraw/zinc/26/77/12/222267712.db2.gz HQBYYRPINCIJKP-INIZCTEOSA-N 2 2 389.573 2.548 50 0 GFAALP CCCSc1ncc(C[N@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)cn1 ZINC000072480769 222267716 /nfs/dbraw/zinc/26/77/16/222267716.db2.gz HQBYYRPINCIJKP-INIZCTEOSA-N 2 2 389.573 2.548 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000095497440 222332137 /nfs/dbraw/zinc/33/21/37/222332137.db2.gz QNHIUNLPXZCKBZ-QGZVFWFLSA-N 2 2 380.496 2.502 50 0 GFAALP CCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518426 222344222 /nfs/dbraw/zinc/34/42/22/222344222.db2.gz NZIRAEYOOSWPOG-NRFANRHFSA-N 2 2 396.535 2.900 50 0 GFAALP CCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518426 222344226 /nfs/dbraw/zinc/34/42/26/222344226.db2.gz NZIRAEYOOSWPOG-NRFANRHFSA-N 2 2 396.535 2.900 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000095520199 222346691 /nfs/dbraw/zinc/34/66/91/222346691.db2.gz YWEFIXRXEUQUAE-INIZCTEOSA-N 2 2 380.496 2.731 50 0 GFAALP COc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ccc1O ZINC000095525894 222350006 /nfs/dbraw/zinc/35/00/06/222350006.db2.gz XWESAJAXNKJFJE-QGZVFWFLSA-N 2 2 386.496 2.569 50 0 GFAALP COc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ccc1O ZINC000095525895 222350704 /nfs/dbraw/zinc/35/07/04/222350704.db2.gz XWESAJAXNKJFJE-KRWDZBQOSA-N 2 2 386.496 2.569 50 0 GFAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3coc(C(C)C)n3)CC2)n1C ZINC000096141728 222387812 /nfs/dbraw/zinc/38/78/12/222387812.db2.gz ZULXSYJQGDLLJR-UHFFFAOYSA-N 2 2 383.500 2.859 50 0 GFAALP COc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023058463 570342490 /nfs/dbraw/zinc/34/24/90/570342490.db2.gz BCLIZCCPHQYCHP-IBGZPJMESA-N 2 2 381.520 2.860 50 0 GFAALP COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023058463 570342491 /nfs/dbraw/zinc/34/24/91/570342491.db2.gz BCLIZCCPHQYCHP-IBGZPJMESA-N 2 2 381.520 2.860 50 0 GFAALP CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000012056297 570602613 /nfs/dbraw/zinc/60/26/13/570602613.db2.gz ARUWSUZODCQKTN-QGZVFWFLSA-N 2 2 377.554 2.717 50 0 GFAALP CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000012056297 570602616 /nfs/dbraw/zinc/60/26/16/570602616.db2.gz ARUWSUZODCQKTN-QGZVFWFLSA-N 2 2 377.554 2.717 50 0 GFAALP c1cn(CCC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)c[nH+]1 ZINC000040719387 570604325 /nfs/dbraw/zinc/60/43/25/570604325.db2.gz OQPLSSDLNUCJBO-UHFFFAOYSA-N 2 2 375.436 2.831 50 0 GFAALP CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)CC1 ZINC000022937530 570882465 /nfs/dbraw/zinc/88/24/65/570882465.db2.gz MIYNYFJPAQJEEN-UHFFFAOYSA-N 2 2 397.523 2.660 50 0 GFAALP CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)CC1 ZINC000022937530 570882469 /nfs/dbraw/zinc/88/24/69/570882469.db2.gz MIYNYFJPAQJEEN-UHFFFAOYSA-N 2 2 397.523 2.660 50 0 GFAALP COc1ccc2occ([C@@H]3NC(=[NH2+])NC(Nc4ccc(F)cc4)=[NH+]3)c(=O)c2c1 ZINC000019330028 570975134 /nfs/dbraw/zinc/97/51/34/570975134.db2.gz GDMFXCWMPNLMSD-QGZVFWFLSA-N 2 2 381.367 2.535 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426433649 529643331 /nfs/dbraw/zinc/64/33/31/529643331.db2.gz LRFYGYIQABMQAZ-MRXNPFEDSA-N 2 2 384.549 2.827 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426433649 529643333 /nfs/dbraw/zinc/64/33/33/529643333.db2.gz LRFYGYIQABMQAZ-MRXNPFEDSA-N 2 2 384.549 2.827 50 0 GFAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432377 221193847 /nfs/dbraw/zinc/19/38/47/221193847.db2.gz WYFWVDHCNSSSHE-GOSISDBHSA-N 3 2 378.605 2.608 50 0 GFAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432377 221193850 /nfs/dbraw/zinc/19/38/50/221193850.db2.gz WYFWVDHCNSSSHE-GOSISDBHSA-N 3 2 378.605 2.608 50 0 GFAALP O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438590 221195723 /nfs/dbraw/zinc/19/57/23/221195723.db2.gz KCCVBEGBDCNBSR-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438590 221195726 /nfs/dbraw/zinc/19/57/26/221195726.db2.gz KCCVBEGBDCNBSR-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438590 221195731 /nfs/dbraw/zinc/19/57/31/221195731.db2.gz KCCVBEGBDCNBSR-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP O=C(CC[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012438590 221195736 /nfs/dbraw/zinc/19/57/36/221195736.db2.gz KCCVBEGBDCNBSR-OAQYLSRUSA-N 2 2 395.551 2.746 50 0 GFAALP COCC[N@@H+](Cc1cnn(C)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012835974 221237267 /nfs/dbraw/zinc/23/72/67/221237267.db2.gz GYCIGSGNSFXLDD-LJQANCHMSA-N 2 2 382.552 2.748 50 0 GFAALP COCC[N@H+](Cc1cnn(C)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012835974 221237270 /nfs/dbraw/zinc/23/72/70/221237270.db2.gz GYCIGSGNSFXLDD-LJQANCHMSA-N 2 2 382.552 2.748 50 0 GFAALP COCC[NH+](Cc1cnn(C)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012835974 221237272 /nfs/dbraw/zinc/23/72/72/221237272.db2.gz GYCIGSGNSFXLDD-LJQANCHMSA-N 2 2 382.552 2.748 50 0 GFAALP COCC[NH+](Cc1cnn(C)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012835974 221237276 /nfs/dbraw/zinc/23/72/76/221237276.db2.gz GYCIGSGNSFXLDD-LJQANCHMSA-N 2 2 382.552 2.748 50 0 GFAALP C[C@@H](CCC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1)[NH+]1CCOCC1 ZINC000091830707 533514601 /nfs/dbraw/zinc/51/46/01/533514601.db2.gz WSQCFAWNMHLQJK-SFHVURJKSA-N 2 2 388.556 2.890 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3F)CC2)C1 ZINC000067805581 222161535 /nfs/dbraw/zinc/16/15/35/222161535.db2.gz BODZDEFMGVLMEF-SFHVURJKSA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3F)CC2)C1 ZINC000067805581 222161537 /nfs/dbraw/zinc/16/15/37/222161537.db2.gz BODZDEFMGVLMEF-SFHVURJKSA-N 2 2 391.531 2.573 50 0 GFAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000072437357 222261626 /nfs/dbraw/zinc/26/16/26/222261626.db2.gz DFKQHPXZVQBVNG-UHFFFAOYSA-N 2 2 390.487 2.694 50 0 GFAALP CCN1CC2(CC1=O)CC[NH+](Cc1ccccc1OCCn1cc[nH+]c1)CC2 ZINC000072447912 222262134 /nfs/dbraw/zinc/26/21/34/222262134.db2.gz ZYFFRHVEHKDJCA-UHFFFAOYSA-N 2 2 382.508 2.797 50 0 GFAALP [NH3+][C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1)C1CCCCC1 ZINC000095503135 222337079 /nfs/dbraw/zinc/33/70/79/222337079.db2.gz MLXXJFLTVQBORN-FQEVSTJZSA-N 2 2 381.524 2.940 50 0 GFAALP COc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000095962937 222365731 /nfs/dbraw/zinc/36/57/31/222365731.db2.gz RWSHTNPTMUUJOH-LBPRGKRZSA-N 2 2 378.860 2.898 50 0 GFAALP COc1cc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000095962937 222365734 /nfs/dbraw/zinc/36/57/34/222365734.db2.gz RWSHTNPTMUUJOH-LBPRGKRZSA-N 2 2 378.860 2.898 50 0 GFAALP C[NH+]1CCN(CCOc2ccccc2C[NH+]2CC(Oc3ccccc3)C2)CC1 ZINC000215982309 570294295 /nfs/dbraw/zinc/29/42/95/570294295.db2.gz ZBNJYCPECLRYPA-UHFFFAOYSA-N 2 2 381.520 2.576 50 0 GFAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913164 570334349 /nfs/dbraw/zinc/33/43/49/570334349.db2.gz ZNMJCYUGJJLKHP-OAQYLSRUSA-N 2 2 386.584 2.766 50 0 GFAALP CC[NH+]1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913164 570334351 /nfs/dbraw/zinc/33/43/51/570334351.db2.gz ZNMJCYUGJJLKHP-OAQYLSRUSA-N 2 2 386.584 2.766 50 0 GFAALP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000459244665 570548678 /nfs/dbraw/zinc/54/86/78/570548678.db2.gz AWXQILBHGDPUOL-KRWDZBQOSA-N 2 2 378.948 2.899 50 0 GFAALP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000459244665 570548679 /nfs/dbraw/zinc/54/86/79/570548679.db2.gz AWXQILBHGDPUOL-KRWDZBQOSA-N 2 2 378.948 2.899 50 0 GFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC000039532661 570593274 /nfs/dbraw/zinc/59/32/74/570593274.db2.gz KDCHDWSONZXDML-NRFANRHFSA-N 2 2 386.471 2.546 50 0 GFAALP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC000039532661 570593276 /nfs/dbraw/zinc/59/32/76/570593276.db2.gz KDCHDWSONZXDML-NRFANRHFSA-N 2 2 386.471 2.546 50 0 GFAALP CSc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776723 570798910 /nfs/dbraw/zinc/79/89/10/570798910.db2.gz DAPNLQCNOBORJN-UHFFFAOYSA-N 2 2 384.549 2.974 50 0 GFAALP CSc1ccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776723 570798912 /nfs/dbraw/zinc/79/89/12/570798912.db2.gz DAPNLQCNOBORJN-UHFFFAOYSA-N 2 2 384.549 2.974 50 0 GFAALP COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1C ZINC000095364153 571057545 /nfs/dbraw/zinc/05/75/45/571057545.db2.gz MXWHDLLFQYKFGA-SFHVURJKSA-N 2 2 380.496 2.757 50 0 GFAALP COc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1C ZINC000095364153 571057547 /nfs/dbraw/zinc/05/75/47/571057547.db2.gz MXWHDLLFQYKFGA-SFHVURJKSA-N 2 2 380.496 2.757 50 0 GFAALP COc1ccc([C@@H]2CN(c3cc(N(C)C)[nH+]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095385396 571070054 /nfs/dbraw/zinc/07/00/54/571070054.db2.gz NKDALHIPHGCUCB-VLCRHTCISA-N 2 2 379.508 2.618 50 0 GFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426369447 529644359 /nfs/dbraw/zinc/64/43/59/529644359.db2.gz WPJOKVUTEGNNRN-QGZVFWFLSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426369447 529644362 /nfs/dbraw/zinc/64/43/62/529644362.db2.gz WPJOKVUTEGNNRN-QGZVFWFLSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426369447 529644365 /nfs/dbraw/zinc/64/43/65/529644365.db2.gz WPJOKVUTEGNNRN-QGZVFWFLSA-N 2 2 384.549 2.698 50 0 GFAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426369447 529644368 /nfs/dbraw/zinc/64/43/68/529644368.db2.gz WPJOKVUTEGNNRN-QGZVFWFLSA-N 2 2 384.549 2.698 50 0 GFAALP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1OC ZINC000009387983 221079060 /nfs/dbraw/zinc/07/90/60/221079060.db2.gz FKKGDWZBURRZHX-UHFFFAOYSA-N 2 2 386.492 2.834 50 0 GFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000011944569 221140499 /nfs/dbraw/zinc/14/04/99/221140499.db2.gz IARSYPJIOGVURM-NRFANRHFSA-N 3 2 378.605 2.516 50 0 GFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000011944569 221140504 /nfs/dbraw/zinc/14/05/04/221140504.db2.gz IARSYPJIOGVURM-NRFANRHFSA-N 3 2 378.605 2.516 50 0 GFAALP Cc1noc(-c2ccc(N3CCC[C@H](c4[nH+]ccn4CC[NH+](C)C)C3)nc2)n1 ZINC000095512637 136180702 /nfs/dbraw/zinc/18/07/02/136180702.db2.gz PNLSTKZGDCOMQR-KRWDZBQOSA-N 2 2 381.484 2.582 50 0 GFAALP CSc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)cc(N)[nH+]1 ZINC000095531071 136181870 /nfs/dbraw/zinc/18/18/70/136181870.db2.gz MDMGQWCVELYCQS-CQSZACIVSA-N 2 2 381.509 2.805 50 0 GFAALP CSc1nc(N)cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)[nH+]1 ZINC000095531071 136181871 /nfs/dbraw/zinc/18/18/71/136181871.db2.gz MDMGQWCVELYCQS-CQSZACIVSA-N 2 2 381.509 2.805 50 0 GFAALP CC(C)[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000065211062 222111647 /nfs/dbraw/zinc/11/16/47/222111647.db2.gz IFOCDZNSZIWTSK-UHFFFAOYSA-N 2 2 398.526 2.889 50 0 GFAALP CC(C)[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000065211062 222111648 /nfs/dbraw/zinc/11/16/48/222111648.db2.gz IFOCDZNSZIWTSK-UHFFFAOYSA-N 2 2 398.526 2.889 50 0 GFAALP Cc1cc(NCc2ccc[nH+]c2N(C)CCc2ccccn2)nc(N(C)C)[nH+]1 ZINC000067642544 222152404 /nfs/dbraw/zinc/15/24/04/222152404.db2.gz JGCHZFBGTRMUPW-UHFFFAOYSA-N 2 2 377.496 2.932 50 0 GFAALP O=C(CC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095505590 222339092 /nfs/dbraw/zinc/33/90/92/222339092.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 3 2 398.595 2.575 50 0 GFAALP O=C(CC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095505590 222339094 /nfs/dbraw/zinc/33/90/94/222339094.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 3 2 398.595 2.575 50 0 GFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095508805 222341078 /nfs/dbraw/zinc/34/10/78/222341078.db2.gz LKTKCOGCWNASIQ-CQSZACIVSA-N 2 2 377.439 2.528 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120211 222310215 /nfs/dbraw/zinc/31/02/15/222310215.db2.gz BPLZQLQZRKWEGL-SFHVURJKSA-N 2 2 391.581 2.592 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120211 222310219 /nfs/dbraw/zinc/31/02/19/222310219.db2.gz BPLZQLQZRKWEGL-SFHVURJKSA-N 2 2 391.581 2.592 50 0 GFAALP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353568 /nfs/dbraw/zinc/35/35/68/222353568.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353571 /nfs/dbraw/zinc/35/35/71/222353571.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353572 /nfs/dbraw/zinc/35/35/72/222353572.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 2 2 385.474 2.980 50 0 GFAALP CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353576 /nfs/dbraw/zinc/35/35/76/222353576.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 2 2 385.474 2.980 50 0 GFAALP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413765 /nfs/dbraw/zinc/41/37/65/534413765.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413770 /nfs/dbraw/zinc/41/37/70/534413770.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413778 /nfs/dbraw/zinc/41/37/78/534413778.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 2 2 377.479 2.921 50 0 GFAALP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413785 /nfs/dbraw/zinc/41/37/85/534413785.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 2 2 377.479 2.921 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727060 534686475 /nfs/dbraw/zinc/68/64/75/534686475.db2.gz ZIFZVOIAFQIOQA-INIZCTEOSA-N 2 2 379.512 2.667 50 0 GFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727060 534686478 /nfs/dbraw/zinc/68/64/78/534686478.db2.gz ZIFZVOIAFQIOQA-INIZCTEOSA-N 2 2 379.512 2.667 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104433401 570258324 /nfs/dbraw/zinc/25/83/24/570258324.db2.gz NEJYZWOJSPXBTE-OAQYLSRUSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104433401 570258326 /nfs/dbraw/zinc/25/83/26/570258326.db2.gz NEJYZWOJSPXBTE-OAQYLSRUSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104433401 570258327 /nfs/dbraw/zinc/25/83/27/570258327.db2.gz NEJYZWOJSPXBTE-OAQYLSRUSA-N 2 2 381.511 2.706 50 0 GFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104433401 570258329 /nfs/dbraw/zinc/25/83/29/570258329.db2.gz NEJYZWOJSPXBTE-OAQYLSRUSA-N 2 2 381.511 2.706 50 0 GFAALP CCc1[nH+]c(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036316581 570615015 /nfs/dbraw/zinc/61/50/15/570615015.db2.gz KXNCOZGPFDMXOP-UHFFFAOYSA-N 2 2 386.515 2.970 50 0 GFAALP Cc1ccc(N2CC[NH+](Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C3CC3)CC2)cc1C ZINC000244719000 570695161 /nfs/dbraw/zinc/69/51/61/570695161.db2.gz LUULSEAYKRGQCZ-HDICACEKSA-N 2 2 380.540 2.757 50 0 GFAALP CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)nc2ccccc21 ZINC000247989560 570719174 /nfs/dbraw/zinc/71/91/74/570719174.db2.gz KCEDPKKNXPQMEV-IBGZPJMESA-N 2 2 397.567 2.821 50 0 GFAALP CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](C(C)C)CC3)C2)nc2ccccc21 ZINC000247989560 570719176 /nfs/dbraw/zinc/71/91/76/570719176.db2.gz KCEDPKKNXPQMEV-IBGZPJMESA-N 2 2 397.567 2.821 50 0 GFAALP Cc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257309 570755754 /nfs/dbraw/zinc/75/57/54/570755754.db2.gz FYTCKPRJIHWWIY-UHFFFAOYSA-N 2 2 395.551 2.725 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092019854 571041071 /nfs/dbraw/zinc/04/10/71/571041071.db2.gz IGQPGICBQXPKCB-HSZRJFAPSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092019854 571041073 /nfs/dbraw/zinc/04/10/73/571041073.db2.gz IGQPGICBQXPKCB-HSZRJFAPSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@@]2(CCC[N@@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092019854 571041074 /nfs/dbraw/zinc/04/10/74/571041074.db2.gz IGQPGICBQXPKCB-HSZRJFAPSA-N 2 2 378.520 2.824 50 0 GFAALP O=C1CC[C@@]2(CCC[N@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092019854 571041076 /nfs/dbraw/zinc/04/10/76/571041076.db2.gz IGQPGICBQXPKCB-HSZRJFAPSA-N 2 2 378.520 2.824 50 0 GFAALP CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000095355866 571052057 /nfs/dbraw/zinc/05/20/57/571052057.db2.gz LQQWPYGIQCVMFL-RBBKRZOGSA-N 2 2 387.568 2.704 50 0 GFAALP CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000095355866 571052058 /nfs/dbraw/zinc/05/20/58/571052058.db2.gz LQQWPYGIQCVMFL-RBBKRZOGSA-N 2 2 387.568 2.704 50 0 GFAALP CN(CCCc1[nH+]ccn1C)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426399272 529897498 /nfs/dbraw/zinc/89/74/98/529897498.db2.gz SIQOJBNLKINBHD-UHFFFAOYSA-N 2 2 383.540 2.874 50 0 GFAALP C/C(=C\c1ccco1)C[NH+]1CCN(c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000065490184 533412935 /nfs/dbraw/zinc/41/29/35/533412935.db2.gz PMIOQCILFKQTKB-XDJHFCHBSA-N 2 2 382.508 2.732 50 0 GFAALP Cc1[nH+]c(N(C)C)nc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095500649 136179888 /nfs/dbraw/zinc/17/98/88/136179888.db2.gz FFNYCUBDGZJXRC-GOSISDBHSA-N 3 2 385.560 2.692 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908570 222166828 /nfs/dbraw/zinc/16/68/28/222166828.db2.gz PQKRUAUVLFHMQF-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908570 222166832 /nfs/dbraw/zinc/16/68/32/222166832.db2.gz PQKRUAUVLFHMQF-IBGZPJMESA-N 2 2 391.531 2.573 50 0 GFAALP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000071415730 222183770 /nfs/dbraw/zinc/18/37/70/222183770.db2.gz NSXLSXNKKZKFGH-QGZVFWFLSA-N 2 2 385.556 2.868 50 0 GFAALP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000071415730 222183773 /nfs/dbraw/zinc/18/37/73/222183773.db2.gz NSXLSXNKKZKFGH-QGZVFWFLSA-N 2 2 385.556 2.868 50 0 GFAALP CN1CC2(CC1=O)CC[NH+](Cc1ccc(OCCCn3cc[nH+]c3)cc1)CC2 ZINC000072477895 222267668 /nfs/dbraw/zinc/26/76/68/222267668.db2.gz LWJVMNMUCOJRJB-UHFFFAOYSA-N 2 2 382.508 2.797 50 0 GFAALP CN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095504155 222335258 /nfs/dbraw/zinc/33/52/58/222335258.db2.gz GSKJBCSBKXXMLO-IBGZPJMESA-N 2 2 383.540 2.921 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120212 222311110 /nfs/dbraw/zinc/31/11/10/222311110.db2.gz BPLZQLQZRKWEGL-GOSISDBHSA-N 2 2 391.581 2.592 50 0 GFAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120212 222311114 /nfs/dbraw/zinc/31/11/14/222311114.db2.gz BPLZQLQZRKWEGL-GOSISDBHSA-N 2 2 391.581 2.592 50 0 GFAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095526151 222350979 /nfs/dbraw/zinc/35/09/79/222350979.db2.gz GRQKPFATEYCMCG-GOSISDBHSA-N 2 2 375.561 2.586 50 0 GFAALP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000095955978 222364006 /nfs/dbraw/zinc/36/40/06/222364006.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 3 2 395.551 2.563 50 0 GFAALP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000095955978 222364007 /nfs/dbraw/zinc/36/40/07/222364007.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 3 2 395.551 2.563 50 0 GFAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000096153994 222391459 /nfs/dbraw/zinc/39/14/59/222391459.db2.gz IPPNMRHMBNJMPX-UHFFFAOYSA-N 2 2 380.496 2.911 50 0 GFAALP Nc1cccc(-c2cccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2)[nH+]1 ZINC000426387909 534738900 /nfs/dbraw/zinc/73/89/00/534738900.db2.gz QHFFMFUOSUZHGP-QGZVFWFLSA-N 2 2 380.492 2.515 50 0 GFAALP CC[N@@H+]1CC[C@@H](NC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798795 /nfs/dbraw/zinc/79/87/95/527798795.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP CC[N@H+]1CC[C@@H](NC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798801 /nfs/dbraw/zinc/79/88/01/527798801.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP CC[NH+]1CC[C@@H](NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798804 /nfs/dbraw/zinc/79/88/04/527798804.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP CC[NH+]1CC[C@@H](NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798808 /nfs/dbraw/zinc/79/88/08/527798808.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 2 2 388.537 2.735 50 0 GFAALP c1ccc(C[NH+]2CCN(CCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022440735 570317171 /nfs/dbraw/zinc/31/71/71/570317171.db2.gz MUSJGTFXLISAIS-UHFFFAOYSA-N 2 2 378.564 2.622 50 0 GFAALP C[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)CC1 ZINC000022914108 570334693 /nfs/dbraw/zinc/33/46/93/570334693.db2.gz JKLYBLRDULMBAL-UHFFFAOYSA-N 2 2 375.467 2.567 50 0 GFAALP C[NH+]1CCC([NH+]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)CC1 ZINC000022914108 570334695 /nfs/dbraw/zinc/33/46/95/570334695.db2.gz JKLYBLRDULMBAL-UHFFFAOYSA-N 2 2 375.467 2.567 50 0 GFAALP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccc(OC)c(C)c2C)[C@@H](CCO)C1 ZINC000023373960 570357561 /nfs/dbraw/zinc/35/75/61/570357561.db2.gz FEQALAXBUNAZGR-FQEVSTJZSA-N 2 2 386.540 2.597 50 0 GFAALP CCn1cc[nH+]c1CN1CC[N@@H+](Cc2ccc(OC)c(C)c2C)[C@@H](CCO)C1 ZINC000023373960 570357566 /nfs/dbraw/zinc/35/75/66/570357566.db2.gz FEQALAXBUNAZGR-FQEVSTJZSA-N 2 2 386.540 2.597 50 0 GFAALP [NH3+][C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1)c1ccccc1 ZINC000091706674 571026887 /nfs/dbraw/zinc/02/68/87/571026887.db2.gz AALQUVXVNPNPGJ-FQEVSTJZSA-N 2 2 375.476 2.732 50 0 GFAALP